A0A075F882_MOUSE Loading...

Heat shock transcription factor 1 beta isoform

AlphaFold DB , UniProt , Accession A0A075F882, Species MOUSE (Mus musculus, Mouse), Gene Hsf1, Length 503 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
1M42.2Very low40.9Very low237 Ų237121.3 Ų121.3100%1.16782%0.824SS**  086.20-77.9-173.7178.800105.7
2D36.8Very low41.8Very low163 Ų163121.8 Ų121.887%0.87283%0.825SS**  trans-86.2121.2-176.9-60-84000108.9
3L38.5Very low43.5Very low171 Ų171119.1 Ų119.190%0.89581%0.808SS**  trans-103.595.8170.8-77.5173.1000108.5V5L3-V5 PolarHBondContact O-N 3.07Å
4A40Very low46.2Very low101 Ų101121 Ų12184%0.83581%0.806SS**  trans-66.3112.8169.300000109.5G6A4-G6 PolarHBondContact O-N 3.49Å
5V43.6Very low49.2Very low143 Ų143114.5 Ų114.587%0.86776%0.762SS**  trans-74.8106.3164.7176.30000107.1L3L3-V5 PolarHBondContact O-N 3.07Å
6G34.4Very low51.9Low54 Ų54110 Ų11056%0.55773%0.731SS**  trans-66.8151.3177.900000112A4 G8A4-G6 PolarHBondContact O-N 3.49Å; G6-G8 PolarHBondContact O-N 3.29Å; G6-G8 VanDerWaalsContact O-N 3.16Å
7P47.2Very low54.4Low133 Ų133107.6 Ų107.686%0.86472%0.722SS**  trans-67115.8176.428.3-33.1000109.4A9P7-A9 PolarHBondContact O-N 3.16Å
8G38.4Very low56.7Low75 Ų75102.6 Ų102.677%0.77369%0.686SS**  trans-61.5117.417200000109.8G6 A10G6-G8 PolarHBondContact O-N 3.29Å; G6-G8 VanDerWaalsContact O-N 3.16Å; G8-A10 PolarHBondContact O-N 2.81Å
9A41.2Very low58.7Low105 Ų10597.2 Ų97.287%0.86865%0.65SS**  trans-6993.5178.600000110.2P7 G11P7-A9 PolarHBondContact O-N 3.16Å; A9-G11 PolarHBondContact O-N 3.16Å
10A40.7Very low60.5Low97 Ų9794.3 Ų94.380%0.80263%0.63SS**  trans-64.3120.6166.300000108.8G8G8-A10 PolarHBondContact O-N 2.81Å
11G46.6Very low62.2Low55 Ų5594.3 Ų94.357%0.56762%0.619SS**  trans-60163.2163.600000110.4A9 S13A9-G11 PolarHBondContact O-N 3.16Å; G11-S13 PolarHBondContact O-N 3.23Å
12P52Low64.8Low128 Ų12883 Ų8383%0.83156%0.563SS**  trans-57.1109.2179.524.9-33.9000109.4N14P12-N14 PolarHBondContact O-N 2.89Å
13S63.7Low67.7Low86 Ų8677.3 Ų77.360%0.60153%0.53SS*.  trans-63.2126.9-177.553.90000108.8G11 V15G11-S13 PolarHBondContact O-N 3.23Å; S13-V15 PolarHBondContact O-N 2.91Å
14N82.1Confident70.4Confident146 Ų14672.4 Ų72.478%0.78151%0.507SS*.  trans-72.421.9177.6-70-54.8000112.4P12 P16P12-N14 PolarHBondContact O-N 2.89Å; N14-P16 WeakPolarHBondContact O-CD 3.1Å
15V90.7Very high73Confident24 Ų2467.6 Ų67.615%0.14547%0.467CS..  trans-83120.6-179.5179.80000108.4S13 A17 L19 T20 L112 E113S13-V15 PolarHBondContact O-N 2.91Å; V15-A17 PolarHBondContact O-N 3.09Å; V15-L19 HydrophobicContact CG1-CB 3.97Å; V15-T20 WeakPolarHBondContact CG1-OG1 3.22Å; V15-L112 HydrophobicContact CG1-CB 3.74Å; V15-L112 HydrophobicContact CG1-CD1 4.34Å; V15-L112 HydrophobicContact CG2-CB 4.13Å; V15-E113 HydrophobicContact CG2-CB 4.08Å
16P93.2Very high75.6Confident42 Ų4260.8 Ų60.827%0.27343%0.426SS..  trans-55.3129.9173-28.234.8000112.2N14 F18 L19 Y76N14-P16 WeakPolarHBondContact O-CD 3.1Å; P16-F18 PolarHBondContact O-N 3.42Å; P16-L19 HydrophobicContact CG-CD1 4.41Å; P16-L19 WeakPolarHBondContact O-CB 3.44Å; P16-L19 PolarHBondContact O-N 3.16Å; P16-Y76 HydrophobicContact CB-CE1 3.95Å; P16-Y76 VanDerWaalsContact CB-OH 3.26Å; P16-Y76 WeakPolarHBondContact CB-OH 3.36Å; P16-Y76 HydrophobicContact CG-CE1 3.81Å
17A92.9Very high78.4Confident70 Ų7060.4 Ų60.458%0.57942%0.415SS*.Hα-helixtrans-55.7-19.7-174.900000115.3V15 K21V15-A17 PolarHBondContact O-N 3.09Å; A17-K21 WeakPolarHBondContact O-CB 3.32Å; A17-K21 WeakPolarHBondContact O-CG 3.48Å; A17-K21 PolarHBondContact O-N 3.35Å
18F95.8Very high80.6Confident16 Ų1656 Ų567%0.0738%0.384CS..Hα-helixtrans-62.1-43.5170171.7-97.2000112.1P16 L22 F61 F69 Q72 L73 Y76P16-F18 PolarHBondContact O-N 3.42Å; F18-L22 HydrophobicContact CE1-CD2 4.04Å; F18-L22 HydrophobicContact CZ-CD2 4.26Å; F18-L22 VanDerWaalsContact O-CB 3.28Å; F18-L22 WeakPolarHBondContact O-CB 3.45Å; F18-L22 PolarHBondContact O-N 2.87Å; F18-F61 HydrophobicContact CD2-CD1 4.29Å; F18-F61 AromaticContact CD2-CE1 3.51Å; F18-F61 HydrophobicContact CD2-CE1 3.51Å; F18-F61 AromaticContact CD2-CZ 3.97Å; F18-F61 HydrophobicContact CD2-CZ 3.97Å; F18-F61 AromaticContact CE2-CE1 3.9Å; F18-F61 HydrophobicContact CE2-CE1 3.9Å; F18-F61 AromaticContact CE2-CZ 3.93Å; F18-F61 HydrophobicContact CE2-CZ 3.93Å; F18-F61 HydrophobicContact CG-CE1 4.49Å; F18-F69 HydrophobicContact CE2-CD2 4.18Å; F18-F69 HydrophobicContact CE2-CE2 4.39Å; F18-F69 HydrophobicContact CZ-CD2 4.5Å; F18-F69 HydrophobicContact CZ-CE2 4.46Å; F18-Q72 HydrophobicContact CD1-CB 4.3Å; F18-Q72 HydrophobicContact CD2-CB 3.73Å; F18-Q72 HydrophobicContact CD2-CG 4.1Å; F18-Q72 HydrophobicContact CE1-CB 3.95Å; F18-Q72 HydrophobicContact CE2-CB 3.35Å; F18-Q72 HydrophobicContact CE2-CG 4.09Å; F18-Q72 HydrophobicContact CG-CB 4.2Å; F18-Q72 HydrophobicContact CZ-CB 3.48Å; F18-Q72 VanDerWaalsContact CZ-CB 3.48Å; F18-L73 HydrophobicContact CE1-CD2 4.08Å; F18-L73 HydrophobicContact CZ-CD2 3.86Å; F18-L73 HydrophobicContact CZ-CG 4.16Å; F18-Y76 HydrophobicContact CB-CE2 3.96Å; F18-Y76 AromaticContact CD1-CD2 3.32Å; F18-Y76 HydrophobicContact CD1-CD2 3.32Å; F18-Y76 AromaticContact CD1-CE2 3.38Å; F18-Y76 HydrophobicContact CD1-CE2 3.38Å; F18-Y76 HydrophobicContact CD1-CG 4.38Å; F18-Y76 AromaticContact CE1-CD2 3.69Å; F18-Y76 HydrophobicContact CE1-CD2 3.69Å; F18-Y76 HydrophobicContact CE1-CE2 4.17Å; F18-Y76 HydrophobicContact CG-CD2 4.25Å; F18-Y76 AromaticContact CG-CE2 3.88Å; F18-Y76 HydrophobicContact CG-CE2 3.88Å
19L96.3Very high83.3Confident0 Ų056.9 Ų56.90%038%0.376CS..Hα-helixtrans-73.2-42.5-176.1-64.2174.9000112V15 P16 K21 L22 W23 Y76 F78 I115V15-L19 HydrophobicContact CG1-CB 3.97Å; P16-L19 HydrophobicContact CG-CD1 4.41Å; P16-L19 WeakPolarHBondContact O-CB 3.44Å; P16-L19 PolarHBondContact O-N 3.16Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 2.91Å; L19-L22 PolarHBondContact O-N 2.96Å; L19-W23 WeakPolarHBondContact O-CB 3.34Å; L19-W23 PolarHBondContact O-N 2.77Å; L19-Y76 HydrophobicContact CD1-CD1 4.01Å; L19-Y76 HydrophobicContact CD1-CE1 4.25Å; L19-Y76 HydrophobicContact CD1-CG 4.47Å; L19-Y76 HydrophobicContact CD2-CD1 4.26Å; L19-Y76 HydrophobicContact CD2-CD2 4.14Å; L19-Y76 HydrophobicContact CD2-CG 3.88Å; L19-Y76 HydrophobicContact CG-CD1 4.25Å; L19-Y76 HydrophobicContact CG-CE1 4.45Å; L19-Y76 HydrophobicContact CG-CG 4.31Å; L19-F78 HydrophobicContact CD2-CE2 3.77Å; L19-F78 HydrophobicContact CD2-CZ 4.18Å; L19-I115 HydrophobicContact CD1-CB 3.61Å; L19-I115 HydrophobicContact CD1-CD1 4.34Å; L19-I115 HydrophobicContact CD1-CG1 4.47Å; L19-I115 HydrophobicContact CD1-CG2 3.75Å; L19-I115 HydrophobicContact CD2-CD1 4.27Å; L19-I115 HydrophobicContact CD2-CG2 4.05Å
20T94.7Very high85.8Confident40 Ų4059 Ų5925%0.24537%0.373CS..Hα-helixtrans-56.9-49.8172.6-460000110.1V15 L22 W23 T24V15-T20 WeakPolarHBondContact CG1-OG1 3.22Å; T20-L22 PolarHBondContact O-N 2.93Å; T20-W23 PolarHBondContact O-N 3.08Å; T20-T24 PolarHBondContact O-N 3.04Å; T20-T24 PolarHBondContact O-OG1 2.87Å
21K95.8Very high88.3Confident94 Ų9455 Ų5541%0.40934%0.338SS..Hα-helixtrans-62.2-41177.8-75.7178.5165-156.70113.4A17 L19 L25 Y60 F61A17-K21 WeakPolarHBondContact O-CB 3.32Å; A17-K21 WeakPolarHBondContact O-CG 3.48Å; A17-K21 PolarHBondContact O-N 3.35Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 2.91Å; K21-L25 WeakPolarHBondContact O-CB 3.48Å; K21-L25 PolarHBondContact O-N 3.05Å; K21-Y60 WeakPolarHBondContact CD-O 3.22Å; K21-Y60 WeakPolarHBondContact CE-O 3.33Å; K21-Y60 PolarHBondContact NZ-O 2.93Å; K21-F61 HydrophobicContact CB-CE1 4.01Å; K21-F61 HydrophobicContact CB-CZ 4.12Å; K21-F61 HydrophobicContact CD-CE1 4.28Å
22L97.1Very high90.5Very high0 Ų055.9 Ų55.90%033%0.33CS..Hα-helixtrans-63.5-44.2175.8178.367.6000111.1F18 L19 T20 L25 V26 F44 F69 L73 F78 F104F18-L22 HydrophobicContact CE1-CD2 4.04Å; F18-L22 HydrophobicContact CZ-CD2 4.26Å; F18-L22 VanDerWaalsContact O-CB 3.28Å; F18-L22 WeakPolarHBondContact O-CB 3.45Å; F18-L22 PolarHBondContact O-N 2.87Å; L19-L22 PolarHBondContact O-N 2.96Å; T20-L22 PolarHBondContact O-N 2.93Å; L22-L25 PolarHBondContact O-N 3.29Å; L22-V26 HydrophobicContact CD1-CG2 4.03Å; L22-V26 HydrophobicContact CG-CG2 4.39Å; L22-V26 WeakPolarHBondContact O-CG2 3.34Å; L22-V26 PolarHBondContact O-N 3.01Å; L22-F44 HydrophobicContact CD1-CE1 4.45Å; L22-F44 HydrophobicContact CD1-CE2 4.33Å; L22-F44 HydrophobicContact CD1-CZ 3.96Å; L22-F44 HydrophobicContact CD2-CE1 4.26Å; L22-F44 HydrophobicContact CD2-CZ 4.33Å; L22-F69 HydrophobicContact CD1-CE2 3.71Å; L22-F69 HydrophobicContact CD1-CZ 3.6Å; L22-L73 HydrophobicContact CD1-CD2 4.37Å; L22-L73 HydrophobicContact CD2-CD2 3.49Å; L22-L73 VanDerWaalsContact CD2-CD2 3.49Å; L22-F78 HydrophobicContact CD2-CE1 4.09Å; L22-F78 HydrophobicContact CD2-CE2 4.3Å; L22-F78 HydrophobicContact CD2-CZ 3.73Å; L22-F104 HydrophobicContact CB-CE2 4.45Å; L22-F104 HydrophobicContact CD2-CE2 3.86Å; L22-F104 HydrophobicContact CD2-CZ 3.91Å; L22-F104 HydrophobicContact CG-CE2 3.97Å; L22-F104 HydrophobicContact CG-CZ 3.72Å
23W96.5Very high92.5Very high44 Ų4453.9 Ų53.917%0.16732%0.324CS..Hα-helixtrans-66.8-43.4179.6-170.993.1000112.1L19 T20 S27 W37 F104 L105 E109 L112L19-W23 WeakPolarHBondContact O-CB 3.34Å; L19-W23 PolarHBondContact O-N 2.77Å; T20-W23 PolarHBondContact O-N 3.08Å; W23-S27 VanDerWaalsContact O-CB 3.27Å; W23-S27 WeakPolarHBondContact O-CB 3.44Å; W23-S27 PolarHBondContact O-N 2.87Å; W23-S27 VanDerWaalsContact O-N 3.15Å; W23-S27 PolarHBondContact O-OG 3.14Å; W23-W37 AromaticContact CD1-CH2 3.82Å; W23-W37 AromaticContact CD1-CZ2 3.72Å; W23-W37 HydrophobicContact CG-CZ2 4.38Å; W23-W37 AromaticContact NE1-CH2 3.98Å; W23-W37 AromaticContact NE1-CZ2 3.71Å; W23-F104 HydrophobicContact CB-CE2 3.86Å; W23-F104 HydrophobicContact CB-CZ 4.18Å; W23-F104 HydrophobicContact CG-CE2 4.38Å; W23-L105 PolarHBondContact NE1-O 2.69Å; W23-L105 VanDerWaalsContact NE1-O 3.16Å; W23-E109 HydrophobicContact CD2-CB 4.32Å; W23-E109 HydrophobicContact CD2-CG 4.2Å; W23-E109 HydrophobicContact CE3-CB 4.49Å; W23-E109 HydrophobicContact CE3-CG 4.21Å; W23-E109 HydrophobicContact CH2-CB 4.31Å; W23-E109 HydrophobicContact CZ2-CB 4.09Å; W23-E109 HydrophobicContact CZ3-CB 4.5Å; W23-L112 HydrophobicContact CB-CD1 3.71Å; W23-L112 HydrophobicContact CB-CD2 4.36Å; W23-L112 HydrophobicContact CG-CD1 3.96Å; W23-L112 HydrophobicContact CG-CD2 4.5Å
24T94.9Very high94Very high68 Ų6850.6 Ų50.642%0.41730%0.3SS..Hα-helixtrans-60.6-46.6172.4-52.30000110.9T20 S27 D28T20-T24 PolarHBondContact O-N 3.04Å; T20-T24 PolarHBondContact O-OG1 2.87Å; T24-S27 CarbonylContact O-C 3.42Å; T24-S27 PolarHBondContact O-N 3.38Å; T24-D28 PolarHBondContact O-N 3.08Å; T24-D28 VanDerWaalsContact O-N 3.09Å
25L96.1Very high94.7Very high0 Ų043.7 Ų43.70%026%0.263CS..Hα-helixtrans-58.6-52.5179.7170.361000112.1K21 L22 S27 D28 T31 I35 F52 V56 Y60 F61K21-L25 WeakPolarHBondContact O-CB 3.48Å; K21-L25 PolarHBondContact O-N 3.05Å; L22-L25 PolarHBondContact O-N 3.29Å; L25-S27 PolarHBondContact O-N 3.13Å; L25-D28 PolarHBondContact O-N 2.99Å; L25-D28 VanDerWaalsContact O-N 3.16Å; L25-T31 HydrophobicContact CD1-CG2 3.98Å; L25-T31 PolarHBondContact O-OG1 2.89Å; L25-I35 HydrophobicContact CD1-CG2 3.76Å; L25-I35 HydrophobicContact CD2-CD1 4.04Å; L25-I35 HydrophobicContact CD2-CG2 4.44Å; L25-I35 HydrophobicContact CG-CD1 4.18Å; L25-I35 HydrophobicContact CG-CG2 3.87Å; L25-F52 HydrophobicContact CD2-CE2 4.16Å; L25-F52 HydrophobicContact CD2-CZ 4.23Å; L25-V56 HydrophobicContact CD1-CG1 3.39Å; L25-V56 HydrophobicContact CD2-CG1 4.18Å; L25-V56 HydrophobicContact CG-CG1 4.41Å; L25-Y60 HydrophobicContact CB-CD1 4.01Å; L25-Y60 HydrophobicContact CB-CE1 3.98Å; L25-Y60 HydrophobicContact CB-CG 4.39Å; L25-Y60 HydrophobicContact CD1-CD1 4.48Å; L25-Y60 HydrophobicContact CD1-CD2 3.76Å; L25-Y60 HydrophobicContact CD1-CE1 4.26Å; L25-Y60 HydrophobicContact CD1-CE2 3.5Å; L25-Y60 VanDerWaalsContact CD1-CE2 3.5Å; L25-Y60 HydrophobicContact CD1-CG 4.26Å; L25-Y60 HydrophobicContact CD2-CG 4.47Å; L25-F61 HydrophobicContact CD2-CE2 4.26Å
26V96.7Very high94.9Very high0 Ų043.7 Ų43.70%026%0.264CS..Hα-helixtrans-66-20.5-179.7-178.90000111.8L22 I35 W37 F44 F104L22-V26 HydrophobicContact CD1-CG2 4.03Å; L22-V26 HydrophobicContact CG-CG2 4.39Å; L22-V26 WeakPolarHBondContact O-CG2 3.34Å; L22-V26 PolarHBondContact O-N 3.01Å; V26-I35 HydrophobicContact CG2-CD1 3.65Å; V26-I35 HydrophobicContact CG2-CG1 3.86Å; V26-W37 HydrophobicContact CB-CZ2 4.25Å; V26-W37 HydrophobicContact CG1-CB 4.46Å; V26-W37 HydrophobicContact CG1-CD2 3.5Å; V26-W37 VanDerWaalsContact CG1-CD2 3.5Å; V26-W37 VanDerWaalsContact CG1-CE2 3.5Å; V26-W37 HydrophobicContact CG1-CE3 4.02Å; V26-W37 HydrophobicContact CG1-CG 3.71Å; V26-W37 HydrophobicContact CG1-CH2 4.49Å; V26-W37 HydrophobicContact CG1-CZ2 4.02Å; V26-W37 HydrophobicContact CG1-CZ3 4.49Å; V26-W37 PolarHBondContact O-NE1 3.19Å; V26-F44 HydrophobicContact CB-CB 4.49Å; V26-F44 HydrophobicContact CG1-CB 3.44Å; V26-F44 VanDerWaalsContact CG1-CB 3.44Å; V26-F44 HydrophobicContact CG1-CG 4.13Å; V26-F44 HydrophobicContact CG2-CB 4.1Å; V26-F44 HydrophobicContact CG2-CD1 4.32Å; V26-F44 HydrophobicContact CG2-CD2 3.96Å; V26-F44 HydrophobicContact CG2-CE2 4.47Å; V26-F44 HydrophobicContact CG2-CG 3.88Å; V26-F104 HydrophobicContact CG2-CE1 4.42Å; V26-F104 HydrophobicContact CG2-CZ 4.31Å
27S94.1Very high95.2Very high45 Ų4542.7 Ų42.732%0.31526%0.255SS..THydrogen-bonded Turntrans-96.72.6178.9-500000114W23 T24 L25 P29 W37W23-S27 VanDerWaalsContact O-CB 3.27Å; W23-S27 WeakPolarHBondContact O-CB 3.44Å; W23-S27 PolarHBondContact O-N 2.87Å; W23-S27 VanDerWaalsContact O-N 3.15Å; W23-S27 PolarHBondContact O-OG 3.14Å; T24-S27 CarbonylContact O-C 3.42Å; T24-S27 PolarHBondContact O-N 3.38Å; L25-S27 PolarHBondContact O-N 3.13Å; S27-P29 WeakPolarHBondContact O-CD 3.45Å; S27-W37 PolarHBondContact OG-NE1 3.02Å
28D94.4Very high95.3Very high41 Ų4139.5 Ų39.522%0.21923%0.228CC..  trans-91.8110.4-178.4-178.32.7000110.3T24 L25 D30 T31 D32 Y60T24-D28 PolarHBondContact O-N 3.08Å; T24-D28 VanDerWaalsContact O-N 3.09Å; L25-D28 PolarHBondContact O-N 2.99Å; L25-D28 VanDerWaalsContact O-N 3.16Å; D28-D30 PolarHBondContact O-N 2.83Å; D28-D30 VanDerWaalsContact O-N 3.16Å; D28-D30 PolarHBondContact OD1-N 3.12Å; D28-D30 VanDerWaalsContact OD1-N 3.16Å; D28-T31 HydrophobicContact CB-CG2 4.42Å; D28-T31 PolarHBondContact O-N 3.33Å; D28-T31 PolarHBondContact O-OG1 2.86Å; D28-D32 PolarHBondContact O-N 3.48Å; D28-Y60 PolarHBondContact OD2-OH 3.26Å
29P93.9Very high95.2Very high94 Ų9444.5 Ų44.561%0.6126%0.262SS*.THydrogen-bonded Turntrans-64.3-20.5-176.128.5-36.5000113.3S27 T31 D32S27-P29 WeakPolarHBondContact O-CD 3.45Å; P29-T31 PolarHBondContact O-N 3.25Å; P29-D32 PolarHBondContact O-N 3.16Å
30D92.9Very high95Very high149 Ų14948.6 Ų48.680%0.79729%0.291SS*.THydrogen-bonded Turntrans-69.4-15.5173.3-73.7-8.8000111.9D28D28-D30 PolarHBondContact O-N 2.83Å; D28-D30 VanDerWaalsContact O-N 3.16Å; D28-D30 PolarHBondContact OD1-N 3.12Å; D28-D30 VanDerWaalsContact OD1-N 3.16Å
31T93.3Very high95Very high12 Ų1246.9 Ų46.97%0.07428%0.281CS..THydrogen-bonded Turntrans-109.9-4.9179.469.80000114.7L25 D28 P29 A33 L34 I35 Y60L25-T31 HydrophobicContact CD1-CG2 3.98Å; L25-T31 PolarHBondContact O-OG1 2.89Å; D28-T31 HydrophobicContact CB-CG2 4.42Å; D28-T31 PolarHBondContact O-N 3.33Å; D28-T31 PolarHBondContact O-OG1 2.86Å; P29-T31 PolarHBondContact O-N 3.25Å; T31-A33 PolarHBondContact O-N 2.93Å; T31-L34 PolarHBondContact O-N 2.69Å; T31-I35 CarbonylContact C-O 3.55Å; T31-I35 PolarHBondContact O-N 3.17Å; T31-Y60 HydrophobicContact CG2-CE2 4.5Å
32D93.9Very high95Very high74 Ų7445.3 Ų45.340%0.39628%0.277SS..THydrogen-bonded Turntrans-52.6-26.5-178.4-90.3-21.1000113.8D28 P29 L34 I35 C36D28-D32 PolarHBondContact O-N 3.48Å; P29-D32 PolarHBondContact O-N 3.16Å; D32-L34 VanDerWaalsContact C-N 3.25Å; D32-L34 PolarHBondContact O-N 3.23Å; D32-I35 VanDerWaalsContact CA-O 3.32Å; D32-I35 WeakPolarHBondContact CA-O 3.45Å; D32-C36 HydrophobicContact CB-CB 4.18Å; D32-C36 WeakPolarHBondContact OD1-CB 3.26Å
33A93.8Very high95Very high86 Ų8645.3 Ų45.371%0.71128%0.277SS*.THydrogen-bonded Turntrans-67.8-20.1176.400000114.4T31T31-A33 PolarHBondContact O-N 2.93Å
34L94.6Very high95.1Very high18 Ų1843.2 Ų43.29%0.09427%0.269CS..THydrogen-bonded Turntrans-124.7-27.7-176.6-66.7175.1000112.7T31 D32 V46 F47 D48 Q51 F52 V56T31-L34 PolarHBondContact O-N 2.69Å; D32-L34 VanDerWaalsContact C-N 3.25Å; D32-L34 PolarHBondContact O-N 3.23Å; L34-V46 WeakPolarHBondContact O-CA 3.36Å; L34-F47 PolarHBondContact O-N 3.34Å; L34-D48 HydrophobicContact CD2-CB 4.2Å; L34-Q51 HydrophobicContact CD1-CG 4.05Å; L34-Q51 HydrophobicContact CD2-CB 4.08Å; L34-Q51 HydrophobicContact CD2-CG 4.13Å; L34-F52 HydrophobicContact CB-CB 4.38Å; L34-F52 HydrophobicContact CB-CD2 4.31Å; L34-V56 HydrophobicContact CB-CG2 4.32Å; L34-V56 HydrophobicContact CD1-CG2 3.61Å
35I96.6Very high95.1Very high0 Ų041.2 Ų41.20%026%0.255CS..EExtended strand (participates in β ladder)trans-149123.2174.3-175.2165.8000109.6L25 V26 T31 D32 F44 H45 V46 F52 F69L25-I35 HydrophobicContact CD1-CG2 3.76Å; L25-I35 HydrophobicContact CD2-CD1 4.04Å; L25-I35 HydrophobicContact CD2-CG2 4.44Å; L25-I35 HydrophobicContact CG-CD1 4.18Å; L25-I35 HydrophobicContact CG-CG2 3.87Å; V26-I35 HydrophobicContact CG2-CD1 3.65Å; V26-I35 HydrophobicContact CG2-CG1 3.86Å; T31-I35 CarbonylContact C-O 3.55Å; T31-I35 PolarHBondContact O-N 3.17Å; D32-I35 VanDerWaalsContact CA-O 3.32Å; D32-I35 WeakPolarHBondContact CA-O 3.45Å; I35-F44 HydrophobicContact CD1-CD2 3.93Å; I35-F44 HydrophobicContact CD1-CE2 3.98Å; I35-F44 HydrophobicContact CG1-CD2 4.04Å; I35-H45 VanDerWaalsContact CA-O 3.31Å; I35-H45 WeakPolarHBondContact CA-O 3.44Å; I35-H45 WeakPolarHBondContact CG1-O 3.49Å; I35-V46 HydrophobicContact CD1-CG2 4.02Å; I35-V46 HydrophobicContact CG1-CG2 4.18Å; I35-F52 HydrophobicContact CB-CD2 4.14Å; I35-F52 HydrophobicContact CB-CE2 3.81Å; I35-F52 HydrophobicContact CD1-CE2 3.77Å; I35-F52 HydrophobicContact CD1-CZ 3.98Å; I35-F52 HydrophobicContact CG1-CE2 4.38Å; I35-F52 HydrophobicContact CG2-CD2 4.22Å; I35-F52 HydrophobicContact CG2-CE2 3.79Å; I35-F69 HydrophobicContact CD1-CZ 4.34Å
36C96.5Very high95.1Very high25 Ų2541.2 Ų41.217%0.16926%0.255CS..EExtended strand (participates in β ladder)trans-145.3160.6-178.977.90000111.9D32 F44 H45D32-C36 HydrophobicContact CB-CB 4.18Å; D32-C36 WeakPolarHBondContact OD1-CB 3.26Å; C36-F44 CarbonylContact O-C 3.46Å; C36-F44 VanDerWaalsContact O-CA 3.26Å; C36-F44 WeakPolarHBondContact O-CA 3.35Å; C36-F44 WeakPolarHBondContact O-CB 3.27Å; C36-H45 PolarHBondContact N-O 3.29Å; C36-H45 PolarHBondContact O-N 3.15Å
37W97.6Very high95Very high21 Ų2143.9 Ų43.98%0.0827%0.267CS..EExtended strand (participates in β ladder)trans-64.9144.8168.8-69.6102.2000111.6W23 V26 S27 F104 R106W23-W37 AromaticContact CD1-CH2 3.82Å; W23-W37 AromaticContact CD1-CZ2 3.72Å; W23-W37 HydrophobicContact CG-CZ2 4.38Å; W23-W37 AromaticContact NE1-CH2 3.98Å; W23-W37 AromaticContact NE1-CZ2 3.71Å; V26-W37 HydrophobicContact CB-CZ2 4.25Å; V26-W37 HydrophobicContact CG1-CB 4.46Å; V26-W37 HydrophobicContact CG1-CD2 3.5Å; V26-W37 VanDerWaalsContact CG1-CD2 3.5Å; V26-W37 VanDerWaalsContact CG1-CE2 3.5Å; V26-W37 HydrophobicContact CG1-CE3 4.02Å; V26-W37 HydrophobicContact CG1-CG 3.71Å; V26-W37 HydrophobicContact CG1-CH2 4.49Å; V26-W37 HydrophobicContact CG1-CZ2 4.02Å; V26-W37 HydrophobicContact CG1-CZ3 4.49Å; V26-W37 PolarHBondContact O-NE1 3.19Å; S27-W37 PolarHBondContact OG-NE1 3.02Å; W37-F104 AromaticContact CH2-CD1 3.57Å; W37-F104 HydrophobicContact CH2-CD1 3.57Å; W37-F104 AromaticContact CH2-CE1 3.19Å; W37-F104 HydrophobicContact CH2-CE1 3.19Å; W37-F104 HydrophobicContact CH2-CG 4.37Å; W37-F104 AromaticContact CH2-CZ 3.73Å; W37-F104 HydrophobicContact CH2-CZ 3.73Å; W37-F104 HydrophobicContact CZ2-CE1 4.06Å; W37-F104 HydrophobicContact CZ2-CZ 4.28Å; W37-F104 AromaticContact CZ3-CD1 3.6Å; W37-F104 HydrophobicContact CZ3-CD1 3.6Å; W37-F104 AromaticContact CZ3-CE1 3.48Å; W37-F104 HydrophobicContact CZ3-CE1 3.48Å; W37-F104 VanDerWaalsContact CZ3-CE1 3.48Å; W37-F104 HydrophobicContact CZ3-CZ 4.43Å; W37-R106 HydrophobicContact CD2-CB 3.63Å; W37-R106 HydrophobicContact CD2-CG 4.01Å; W37-R106 HydrophobicContact CE3-CB 3.89Å; W37-R106 HydrophobicContact CG-CB 4Å; W37-R106 HydrophobicContact CG-CG 3.94Å; W37-R106 HydrophobicContact CH2-CB 4.49Å; W37-R106 HydrophobicContact CZ2-CB 4.28Å; W37-R106 HydrophobicContact CZ3-CB 4.31Å
38S95.8Very high94.9Very high3 Ų345.2 Ų45.22%0.02127%0.27CS..  trans-62.1160.816564.20000111.1S40 G41 N42 S43 R106S38-S40 PolarHBondContact O-N 3.18Å; S38-S40 PolarHBondContact OG-OG 2.92Å; S38-G41 WeakPolarHBondContact O-CA 3.49Å; S38-G41 PolarHBondContact O-N 2.9Å; S38-G41 PolarHBondContact OG-N 2.86Å; S38-N42 PolarHBondContact OG-OD1 2.92Å; S38-S43 WeakPolarHBondContact CB-OG 3.47Å; S38-S43 PolarHBondContact N-O 2.87Å; S38-S43 PolarHBondContact OG-N 3.13Å; S38-S43 PolarHBondContact OG-O 2.93Å; S38-S43 VanDerWaalsContact OG-O 3.11Å; S38-S43 PolarHBondContact OG-OG 2.91Å; S38-R106 PolarHBondContact O-NH1 3.09Å; S38-R106 VanDerWaalsContact O-NH1 3.12Å
39P93.7Very high94.9Very high121 Ų12146.3 Ų46.379%0.78627%0.274SS*.THydrogen-bonded Turntrans-55.1-40.2179.8-27.836.2000113G41 R106P39-G41 VanDerWaalsContact C-N 3.34Å; P39-R106 PolarHBondContact O-NH2 3.46Å
40S93.3Very high94.9Very high86 Ų8644.2 Ų44.260%0.60127%0.27SS*.THydrogen-bonded Turntrans-71.5-19.8174.538.90000114.5S38 N42S38-S40 PolarHBondContact O-N 3.18Å; S38-S40 PolarHBondContact OG-OG 2.92Å; S40-N42 VanDerWaalsContact C-N 3.26Å; S40-N42 VanDerWaalsContact CB-OD1 3.28Å; S40-N42 WeakPolarHBondContact CB-OD1 3.31Å; S40-N42 PolarHBondContact O-N 3.3Å; S40-N42 PolarHBondContact OG-OD1 3.37Å
41G94.5Very high94.9Very high4 Ų440.8 Ų40.84%0.04125%0.249CC..SBendtrans69.519.217800000114.7S38 P39 L105 R106S38-G41 WeakPolarHBondContact O-CA 3.49Å; S38-G41 PolarHBondContact O-N 2.9Å; S38-G41 PolarHBondContact OG-N 2.86Å; P39-G41 VanDerWaalsContact C-N 3.34Å; G41-L105 WeakPolarHBondContact O-CA 3.1Å; G41-R106 PolarHBondContact O-N 3.29Å
42N95.8Very high95Very high60 Ų6040.2 Ų40.232%0.32125%0.245SC..SBendtrans-105.44.617765.7-26.5000113.4S38 S40 Q100 L105S38-N42 PolarHBondContact OG-OD1 2.92Å; S40-N42 VanDerWaalsContact C-N 3.26Å; S40-N42 VanDerWaalsContact CB-OD1 3.28Å; S40-N42 WeakPolarHBondContact CB-OD1 3.31Å; S40-N42 PolarHBondContact O-N 3.3Å; S40-N42 PolarHBondContact OG-OD1 3.37Å; N42-Q100 PolarHBondContact ND2-NE2 3.32Å; N42-Q100 WeakPolarHBondContact O-CG 3.35Å; N42-L105 HydrophobicContact CB-CD2 3.82Å
43S96.8Very high95.1Very high0 Ų037.2 Ų37.20%023%0.231CC..EExtended strand (participates in β ladder)trans-160.2171.7-178.850.90000109.1S38 E98 F99S38-S43 WeakPolarHBondContact CB-OG 3.47Å; S38-S43 PolarHBondContact N-O 2.87Å; S38-S43 PolarHBondContact OG-N 3.13Å; S38-S43 PolarHBondContact OG-O 2.93Å; S38-S43 VanDerWaalsContact OG-O 3.11Å; S38-S43 PolarHBondContact OG-OG 2.91Å; S43-E98 WeakPolarHBondContact CB-OE1 3.37Å; S43-E98 PolarHBondContact OG-OE1 2.99Å; S43-F99 WeakPolarHBondContact CA-O 3.48Å; S43-F99 WeakPolarHBondContact CB-O 3.47Å
44F97.4Very high95.2Very high0 Ų040.5 Ų40.50%023%0.229CC..EExtended strand (participates in β ladder)trans-139.7147.5176.769.8-90.5000111.6L22 V26 I35 C36 V46 F69 L73 F78 E98 F99 F104L22-F44 HydrophobicContact CD1-CE1 4.45Å; L22-F44 HydrophobicContact CD1-CE2 4.33Å; L22-F44 HydrophobicContact CD1-CZ 3.96Å; L22-F44 HydrophobicContact CD2-CE1 4.26Å; L22-F44 HydrophobicContact CD2-CZ 4.33Å; V26-F44 HydrophobicContact CB-CB 4.49Å; V26-F44 HydrophobicContact CG1-CB 3.44Å; V26-F44 VanDerWaalsContact CG1-CB 3.44Å; V26-F44 HydrophobicContact CG1-CG 4.13Å; V26-F44 HydrophobicContact CG2-CB 4.1Å; V26-F44 HydrophobicContact CG2-CD1 4.32Å; V26-F44 HydrophobicContact CG2-CD2 3.96Å; V26-F44 HydrophobicContact CG2-CE2 4.47Å; V26-F44 HydrophobicContact CG2-CG 3.88Å; I35-F44 HydrophobicContact CD1-CD2 3.93Å; I35-F44 HydrophobicContact CD1-CE2 3.98Å; I35-F44 HydrophobicContact CG1-CD2 4.04Å; C36-F44 CarbonylContact O-C 3.46Å; C36-F44 VanDerWaalsContact O-CA 3.26Å; C36-F44 WeakPolarHBondContact O-CA 3.35Å; C36-F44 WeakPolarHBondContact O-CB 3.27Å; F44-V46 HydrophobicContact CD2-CG2 3.98Å; F44-V46 HydrophobicContact CE2-CG2 3.74Å; F44-F69 HydrophobicContact CE2-CZ 4.37Å; F44-L73 HydrophobicContact CE1-CD2 4.35Å; F44-L73 HydrophobicContact CZ-CD1 3.95Å; F44-L73 HydrophobicContact CZ-CD2 3.83Å; F44-F78 AromaticContact CE1-CD1 3.93Å; F44-F78 HydrophobicContact CE1-CD1 3.93Å; F44-F78 AromaticContact CE1-CE1 3.8Å; F44-F78 HydrophobicContact CE1-CE1 3.8Å; F44-E98 CarbonylContact O-C 3.5Å; F44-E98 VanDerWaalsContact O-CA 3.3Å; F44-E98 WeakPolarHBondContact O-CA 3.45Å; F44-F99 HydrophobicContact CD1-CB 4.33Å; F44-F99 HydrophobicContact CE1-CB 3.74Å; F44-F99 HydrophobicContact CE2-CB 4.09Å; F44-F99 AromaticContact CE2-CD2 3.91Å; F44-F99 HydrophobicContact CE2-CD2 3.91Å; F44-F99 HydrophobicContact CE2-CG 4.42Å; F44-F99 HydrophobicContact CZ-CB 3.6Å; F44-F99 HydrophobicContact CZ-CD2 4.06Å; F44-F99 HydrophobicContact CZ-CG 4.15Å; F44-F99 PolarHBondContact N-O 2.76Å; F44-F99 PolarHBondContact O-N 2.74Å; F44-F104 HydrophobicContact CD1-CD1 4.04Å; F44-F104 AromaticContact CD1-CE1 3.61Å; F44-F104 HydrophobicContact CD1-CE1 3.61Å; F44-F104 HydrophobicContact CE1-CD1 4.36Å; F44-F104 HydrophobicContact CE1-CE1 4Å
45H96.1Very high95.2Very high26 Ų2643.7 Ų43.712%0.1224%0.243CC..EExtended strand (participates in β ladder)trans-100.1146.8178.1-66.3-102.2000110I35 C36 F47 D96I35-H45 VanDerWaalsContact CA-O 3.31Å; I35-H45 WeakPolarHBondContact CA-O 3.44Å; I35-H45 WeakPolarHBondContact CG1-O 3.49Å; C36-H45 PolarHBondContact N-O 3.29Å; C36-H45 PolarHBondContact O-N 3.15Å; H45-F47 HydrophobicContact CB-CE1 4.05Å; H45-F47 HydrophobicContact CB-CE2 3.9Å; H45-F47 HydrophobicContact CB-CZ 3.56Å; H45-D96 IonicContact CE1-OD2 3.13Å; H45-D96 IonicContact CG-OD1 2.74Å; H45-D96 IonicContact ND1-OD1 3.63Å; H45-D96 PolarHBondContact ND1-OD1 2.86Å; H45-D96 IonicContact ND1-OD2 3.15Å; H45-D96 PolarHBondContact ND1-OD2 3.41Å; H45-D96 VanDerWaalsContact ND1-OD2 3.13Å
46V96.2Very high95.1Very high1 Ų143.9 Ų43.91%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-122.8117.6168.9-174.30000107.8L34 I35 F44 F52 M66 F69 T97 F99L34-V46 WeakPolarHBondContact O-CA 3.36Å; I35-V46 HydrophobicContact CD1-CG2 4.02Å; I35-V46 HydrophobicContact CG1-CG2 4.18Å; F44-V46 HydrophobicContact CD2-CG2 3.98Å; F44-V46 HydrophobicContact CE2-CG2 3.74Å; V46-F52 HydrophobicContact CG1-CB 4.24Å; V46-F52 HydrophobicContact CG1-CD1 3.79Å; V46-F52 HydrophobicContact CG1-CD2 4.11Å; V46-F52 HydrophobicContact CG1-CE1 4.09Å; V46-F52 HydrophobicContact CG1-CE2 4.43Å; V46-F52 HydrophobicContact CG1-CG 3.78Å; V46-F52 HydrophobicContact CG1-CZ 4.41Å; V46-M66 HydrophobicContact CG1-CE 3.91Å; V46-F69 HydrophobicContact CG2-CE1 4.45Å; V46-T97 PolarHBondContact N-O 3.12Å; V46-T97 PolarHBondContact O-N 3.05Å; V46-F99 HydrophobicContact CG2-CD2 4.27Å; V46-F99 HydrophobicContact CG2-CE2 4.34Å
47F94.4Very high95.1Very high55 Ų5542.7 Ų42.724%0.24124%0.237CC..  trans-102.7151.9178.6-52.5-69.6000110.6L34 H45 D95 D96L34-F47 PolarHBondContact O-N 3.34Å; H45-F47 HydrophobicContact CB-CE1 4.05Å; H45-F47 HydrophobicContact CB-CE2 3.9Å; H45-F47 HydrophobicContact CB-CZ 3.56Å; F47-D95 WeakPolarHBondContact CA-O 3.43Å; F47-D96 HydrophobicContact CD1-CB 3.94Å; F47-D96 HydrophobicContact CE1-CB 3.95Å; F47-D96 VanDerWaalsContact CE1-CG 3.49Å
48D92.4Very high95Very high73 Ų7344.8 Ų44.839%0.3925%0.253SS..  trans4175.2-178.9-165.2-33.5000111.8L34 G50 Q51 F52 D95L34-D48 HydrophobicContact CD2-CB 4.2Å; D48-G50 PolarHBondContact O-N 2.91Å; D48-G50 PolarHBondContact OD1-N 3.36Å; D48-Q51 HydrophobicContact CB-CB 4.05Å; D48-Q51 PolarHBondContact O-N 2.9Å; D48-Q51 PolarHBondContact OD1-N 3.31Å; D48-F52 WeakPolarHBondContact O-CB 3.43Å; D48-F52 PolarHBondContact O-N 3.18Å; D48-D95 PolarHBondContact N-O 3.4Å
49Q92.8Very high94.9Very high65 Ų6552.1 Ų52.130%0.30429%0.285SS..Hα-helixtrans-55.5-27.5-175.5-60.1-172.63800112.7A53 M66 T97Q49-A53 WeakPolarHBondContact O-CB 3.37Å; Q49-A53 PolarHBondContact O-N 2.74Å; Q49-A53 VanDerWaalsContact O-N 3.12Å; Q49-M66 HydrophobicContact CB-CE 3.56Å; Q49-M66 HydrophobicContact CG-CE 3.77Å; Q49-T97 PolarHBondContact NE2-OG1 3.14Å
50G93.7Very high94.9Very high50 Ų5048.4 Ų48.452%0.51526%0.255SS..Hα-helixtrans-72-49.8175.500000112.5D48 A53 K54D48-G50 PolarHBondContact O-N 2.91Å; D48-G50 PolarHBondContact OD1-N 3.36Å; G50-A53 PolarHBondContact O-N 3.36Å; G50-K54 WeakPolarHBondContact O-CB 3.03Å; G50-K54 PolarHBondContact O-N 3.11Å; G50-K54 VanDerWaalsContact O-N 3.14Å
51Q94Very high94.9Very high76 Ų7645.3 Ų45.336%0.35523%0.231SC..Hα-helixtrans-65.4-48.2177.4-168.9178.8-2.500111.4L34 D48 A53 K54 E55L34-Q51 HydrophobicContact CD1-CG 4.05Å; L34-Q51 HydrophobicContact CD2-CB 4.08Å; L34-Q51 HydrophobicContact CD2-CG 4.13Å; D48-Q51 HydrophobicContact CB-CB 4.05Å; D48-Q51 PolarHBondContact O-N 2.9Å; D48-Q51 PolarHBondContact OD1-N 3.31Å; Q51-A53 VanDerWaalsContact C-N 3.31Å; Q51-A53 PolarHBondContact O-N 2.66Å; Q51-K54 PolarHBondContact O-N 2.86Å; Q51-K54 VanDerWaalsContact O-N 3.13Å; Q51-E55 HydrophobicContact CG-CG 4.23Å; Q51-E55 WeakPolarHBondContact CG-OE2 3.28Å; Q51-E55 PolarHBondContact NE2-OE2 3.4Å; Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 PolarHBondContact O-N 3.22Å
52F96.1Very high94.9Very high0 Ų055.7 Ų55.70%028%0.275CS..Hα-helixtrans-54.3-46.2175.2171.4-95.2000112.1L25 L34 I35 V46 D48 K54 V56 L57 M66 F69L25-F52 HydrophobicContact CD2-CE2 4.16Å; L25-F52 HydrophobicContact CD2-CZ 4.23Å; L34-F52 HydrophobicContact CB-CB 4.38Å; L34-F52 HydrophobicContact CB-CD2 4.31Å; I35-F52 HydrophobicContact CB-CD2 4.14Å; I35-F52 HydrophobicContact CB-CE2 3.81Å; I35-F52 HydrophobicContact CD1-CE2 3.77Å; I35-F52 HydrophobicContact CD1-CZ 3.98Å; I35-F52 HydrophobicContact CG1-CE2 4.38Å; I35-F52 HydrophobicContact CG2-CD2 4.22Å; I35-F52 HydrophobicContact CG2-CE2 3.79Å; V46-F52 HydrophobicContact CG1-CB 4.24Å; V46-F52 HydrophobicContact CG1-CD1 3.79Å; V46-F52 HydrophobicContact CG1-CD2 4.11Å; V46-F52 HydrophobicContact CG1-CE1 4.09Å; V46-F52 HydrophobicContact CG1-CE2 4.43Å; V46-F52 HydrophobicContact CG1-CG 3.78Å; V46-F52 HydrophobicContact CG1-CZ 4.41Å; D48-F52 WeakPolarHBondContact O-CB 3.43Å; D48-F52 PolarHBondContact O-N 3.18Å; F52-K54 VanDerWaalsContact C-N 3.3Å; F52-K54 PolarHBondContact O-N 3.26Å; F52-V56 HydrophobicContact CD2-CB 3.72Å; F52-V56 HydrophobicContact CD2-CG1 3.9Å; F52-V56 HydrophobicContact CD2-CG2 4.02Å; F52-V56 HydrophobicContact CE2-CB 3.97Å; F52-V56 HydrophobicContact CE2-CG1 3.66Å; F52-V56 HydrophobicContact CG-CB 4.38Å; F52-V56 WeakPolarHBondContact O-CA 3.5Å; F52-V56 WeakPolarHBondContact O-CB 3.4Å; F52-V56 PolarHBondContact O-N 3.44Å; F52-L57 HydrophobicContact CD1-CD1 4.46Å; F52-L57 HydrophobicContact CD1-CD2 4.37Å; F52-L57 HydrophobicContact CD1-CG 4.06Å; F52-L57 HydrophobicContact CE1-CD1 4.16Å; F52-L57 HydrophobicContact CE1-CD2 3.47Å; F52-L57 VanDerWaalsContact CE1-CD2 3.47Å; F52-L57 HydrophobicContact CE1-CG 3.64Å; F52-L57 HydrophobicContact CZ-CD2 3.68Å; F52-L57 HydrophobicContact CZ-CG 4.2Å; F52-L57 PolarHBondContact O-N 3.39Å; F52-L57 VanDerWaalsContact O-N 3.08Å; F52-M66 HydrophobicContact CD1-CE 3.46Å; F52-M66 VanDerWaalsContact CD1-CE 3.46Å; F52-M66 HydrophobicContact CD1-SD 4.4Å; F52-M66 HydrophobicContact CE1-CE 3.9Å; F52-M66 HydrophobicContact CE1-SD 4.32Å; F52-M66 HydrophobicContact CG-CE 4.47Å; F52-F69 HydrophobicContact CE1-CD1 4.11Å; F52-F69 HydrophobicContact CE1-CE1 4.06Å; F52-F69 HydrophobicContact CE1-CG 4.43Å; F52-F69 HydrophobicContact CE1-CZ 4.35Å; F52-F69 HydrophobicContact CZ-CE1 4.11Å; F52-F69 HydrophobicContact CZ-CE2 4.26Å; F52-F69 AromaticContact CZ-CZ 3.97Å; F52-F69 HydrophobicContact CZ-CZ 3.97Å
53A96.1Very high94.9Very high11 Ų1155.5 Ų55.59%0.09127%0.272CS..Hα-helixtrans-65.5-33-179.500000113.1Q49 G50 Q51 L57 N64 M66Q49-A53 WeakPolarHBondContact O-CB 3.37Å; Q49-A53 PolarHBondContact O-N 2.74Å; Q49-A53 VanDerWaalsContact O-N 3.12Å; G50-A53 PolarHBondContact O-N 3.36Å; Q51-A53 VanDerWaalsContact C-N 3.31Å; Q51-A53 PolarHBondContact O-N 2.66Å; A53-L57 HydrophobicContact CB-CD1 4.05Å; A53-N64 WeakPolarHBondContact CB-O 3.32Å; A53-N64 CarbonylContact O-C 3.55Å; A53-N64 VanDerWaalsContact O-CA 3.24Å; A53-N64 WeakPolarHBondContact O-CA 3.24Å; A53-N64 VanDerWaalsContact O-CB 3.32Å; A53-N64 WeakPolarHBondContact O-CB 3.4Å; A53-M66 HydrophobicContact CB-CB 4.23Å
54K95.2Very high94.8Very high155 Ų15560.6 Ų60.667%0.67430%0.299SS*.Hα-helixtrans-83.1-39.5-180-173.8-177.6175.4-167.80113.6G50 Q51 F52 P58G50-K54 WeakPolarHBondContact O-CB 3.03Å; G50-K54 PolarHBondContact O-N 3.11Å; G50-K54 VanDerWaalsContact O-N 3.14Å; Q51-K54 PolarHBondContact O-N 2.86Å; Q51-K54 VanDerWaalsContact O-N 3.13Å; F52-K54 VanDerWaalsContact C-N 3.3Å; F52-K54 PolarHBondContact O-N 3.26Å; K54-P58 WeakPolarHBondContact O-CG 3.3Å
55E94.2Very high94.7Very high85 Ų8564.3 Ų64.340%0.39732%0.319SS..Hα-helixtrans-106.6-27.4-166.6-63.6-178.8-178.700113.9Q51 K59Q51-E55 HydrophobicContact CG-CG 4.23Å; Q51-E55 WeakPolarHBondContact CG-OE2 3.28Å; Q51-E55 PolarHBondContact NE2-OE2 3.4Å; Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 PolarHBondContact O-N 3.22Å; E55-K59 WeakPolarHBondContact O-CD 3.19Å; E55-K59 WeakPolarHBondContact O-CE 3.28Å
56V95.3Very high94.7Very high4 Ų464.2 Ų64.22%0.02432%0.319CS..THydrogen-bonded Turntrans-104.3-51.4-175.4-177.30000111L25 L34 F52 K59 Y60L25-V56 HydrophobicContact CD1-CG1 3.39Å; L25-V56 HydrophobicContact CD2-CG1 4.18Å; L25-V56 HydrophobicContact CG-CG1 4.41Å; L34-V56 HydrophobicContact CB-CG2 4.32Å; L34-V56 HydrophobicContact CD1-CG2 3.61Å; F52-V56 HydrophobicContact CD2-CB 3.72Å; F52-V56 HydrophobicContact CD2-CG1 3.9Å; F52-V56 HydrophobicContact CD2-CG2 4.02Å; F52-V56 HydrophobicContact CE2-CB 3.97Å; F52-V56 HydrophobicContact CE2-CG1 3.66Å; F52-V56 HydrophobicContact CG-CB 4.38Å; F52-V56 WeakPolarHBondContact O-CA 3.5Å; F52-V56 WeakPolarHBondContact O-CB 3.4Å; F52-V56 PolarHBondContact O-N 3.44Å; V56-K59 WeakPolarHBondContact O-CB 3.19Å; V56-K59 PolarHBondContact O-N 3.16Å; V56-Y60 HydrophobicContact CG1-CD2 4.18Å; V56-Y60 HydrophobicContact CG1-CE2 4.34Å
57L95.3Very high94.6Very high0 Ų067.2 Ų67.20%034%0.344CS..Hα-helixtrans-53.3-42.4-177.2-70.4-177000114F52 A53 K59 Y60 F61 H63 F69F52-L57 HydrophobicContact CD1-CD1 4.46Å; F52-L57 HydrophobicContact CD1-CD2 4.37Å; F52-L57 HydrophobicContact CD1-CG 4.06Å; F52-L57 HydrophobicContact CE1-CD1 4.16Å; F52-L57 HydrophobicContact CE1-CD2 3.47Å; F52-L57 VanDerWaalsContact CE1-CD2 3.47Å; F52-L57 HydrophobicContact CE1-CG 3.64Å; F52-L57 HydrophobicContact CZ-CD2 3.68Å; F52-L57 HydrophobicContact CZ-CG 4.2Å; F52-L57 PolarHBondContact O-N 3.39Å; F52-L57 VanDerWaalsContact O-N 3.08Å; A53-L57 HydrophobicContact CB-CD1 4.05Å; L57-K59 VanDerWaalsContact C-N 3.26Å; L57-K59 PolarHBondContact O-N 2.96Å; L57-Y60 PolarHBondContact O-N 2.52Å; L57-F61 HydrophobicContact CD2-CD2 3.7Å; L57-F61 HydrophobicContact CD2-CE2 4.1Å; L57-F61 CarbonylContact O-C 3.56Å; L57-F61 WeakPolarHBondContact O-CA 3.47Å; L57-F61 WeakPolarHBondContact O-CB 3.38Å; L57-F61 PolarHBondContact O-N 3.04Å; L57-F61 VanDerWaalsContact O-O 3.09Å; L57-H63 CarbonylContact C-O 3.57Å; L57-H63 WeakPolarHBondContact CB-O 3.38Å; L57-F69 HydrophobicContact CD1-CB 4.08Å; L57-F69 HydrophobicContact CD2-CB 3.95Å; L57-F69 HydrophobicContact CD2-CD2 3.61Å; L57-F69 HydrophobicContact CD2-CE2 4.24Å; L57-F69 HydrophobicContact CD2-CG 3.85Å
58P95.5Very high94.7Very high66 Ų6666.6 Ų66.643%0.42935%0.347SS..Hα-helixtrans-67.9-19.9-179.5-23.937.6000115K54 F61 N64K54-P58 WeakPolarHBondContact O-CG 3.3Å; P58-F61 CarbonylContact C-O 3.51Å; P58-F61 WeakPolarHBondContact CA-O 3.47Å; P58-N64 HydrophobicContact CG-CB 3.86Å
59K94Very high94.9Very high157 Ų15763.2 Ų63.268%0.68333%0.328SS*.Hα-helixtrans-75.2-38.1176.9-63174.6179.31690111.2E55 V56 L57E55-K59 WeakPolarHBondContact O-CD 3.19Å; E55-K59 WeakPolarHBondContact O-CE 3.28Å; V56-K59 WeakPolarHBondContact O-CB 3.19Å; V56-K59 PolarHBondContact O-N 3.16Å; L57-K59 VanDerWaalsContact C-N 3.26Å; L57-K59 PolarHBondContact O-N 2.96Å
60Y93.1Very high95Very high43 Ų4361.9 Ų61.917%0.16933%0.325CS..Hα-helixtrans-99.9-33.6-174.8-69-94.4000112.9K21 L25 D28 T31 V56 L57K21-Y60 WeakPolarHBondContact CD-O 3.22Å; K21-Y60 WeakPolarHBondContact CE-O 3.33Å; K21-Y60 PolarHBondContact NZ-O 2.93Å; L25-Y60 HydrophobicContact CB-CD1 4.01Å; L25-Y60 HydrophobicContact CB-CE1 3.98Å; L25-Y60 HydrophobicContact CB-CG 4.39Å; L25-Y60 HydrophobicContact CD1-CD1 4.48Å; L25-Y60 HydrophobicContact CD1-CD2 3.76Å; L25-Y60 HydrophobicContact CD1-CE1 4.26Å; L25-Y60 HydrophobicContact CD1-CE2 3.5Å; L25-Y60 VanDerWaalsContact CD1-CE2 3.5Å; L25-Y60 HydrophobicContact CD1-CG 4.26Å; L25-Y60 HydrophobicContact CD2-CG 4.47Å; D28-Y60 PolarHBondContact OD2-OH 3.26Å; T31-Y60 HydrophobicContact CG2-CE2 4.5Å; V56-Y60 HydrophobicContact CG1-CD2 4.18Å; V56-Y60 HydrophobicContact CG1-CE2 4.34Å; L57-Y60 PolarHBondContact O-N 2.52Å
61F94.9Very high95.1Very high21 Ų2167.7 Ų67.79%0.09233%0.331CS..SBendtrans-126.5158.7-173.8-54.4-74.1000111.7F18 K21 L25 L57 P58 H63 F69F18-F61 HydrophobicContact CD2-CD1 4.29Å; F18-F61 AromaticContact CD2-CE1 3.51Å; F18-F61 HydrophobicContact CD2-CE1 3.51Å; F18-F61 AromaticContact CD2-CZ 3.97Å; F18-F61 HydrophobicContact CD2-CZ 3.97Å; F18-F61 AromaticContact CE2-CE1 3.9Å; F18-F61 HydrophobicContact CE2-CE1 3.9Å; F18-F61 AromaticContact CE2-CZ 3.93Å; F18-F61 HydrophobicContact CE2-CZ 3.93Å; F18-F61 HydrophobicContact CG-CE1 4.49Å; K21-F61 HydrophobicContact CB-CE1 4.01Å; K21-F61 HydrophobicContact CB-CZ 4.12Å; K21-F61 HydrophobicContact CD-CE1 4.28Å; L25-F61 HydrophobicContact CD2-CE2 4.26Å; L57-F61 HydrophobicContact CD2-CD2 3.7Å; L57-F61 HydrophobicContact CD2-CE2 4.1Å; L57-F61 CarbonylContact O-C 3.56Å; L57-F61 WeakPolarHBondContact O-CA 3.47Å; L57-F61 WeakPolarHBondContact O-CB 3.38Å; L57-F61 PolarHBondContact O-N 3.04Å; L57-F61 VanDerWaalsContact O-O 3.09Å; P58-F61 CarbonylContact C-O 3.51Å; P58-F61 WeakPolarHBondContact CA-O 3.47Å; F61-H63 PolarHBondContact O-N 2.85Å; F61-F69 HydrophobicContact CD2-CD2 4.47Å; F61-F69 AromaticContact CE2-CD2 3.96Å; F61-F69 HydrophobicContact CE2-CD2 3.96Å; F61-F69 AromaticContact CE2-CE2 3.98Å; F61-F69 HydrophobicContact CE2-CE2 3.98Å; F61-F69 HydrophobicContact CZ-CD2 4.44Å; F61-F69 HydrophobicContact CZ-CE2 4.35Å
62K93.6Very high95.1Very high221 Ų22166.4 Ų66.496%0.96133%0.325SS*.SBendtrans-82.531.4-178.1-63.1-172.1176.6-174.70113.3
63H95.1Very high95.2Very high56 Ų5666.4 Ų66.426%0.25933%0.325SS..  trans-157.7157.7-179.858.166.1000111.2L57 F61L57-H63 CarbonylContact C-O 3.57Å; L57-H63 WeakPolarHBondContact CB-O 3.38Å; F61-H63 PolarHBondContact O-N 2.85Å
64N95.3Very high95.1Very high108 Ų10869.8 Ų69.858%0.57834%0.342SS*.  trans-105.614.1171.267.2-22.4000112.8A53 P58A53-N64 WeakPolarHBondContact CB-O 3.32Å; A53-N64 CarbonylContact O-C 3.55Å; A53-N64 VanDerWaalsContact O-CA 3.24Å; A53-N64 WeakPolarHBondContact O-CA 3.24Å; A53-N64 VanDerWaalsContact O-CB 3.32Å; A53-N64 WeakPolarHBondContact O-CB 3.4Å; P58-N64 HydrophobicContact CG-CB 3.86Å
65N95.8Very high95.1Very high77 Ų7764.3 Ų64.341%0.41232%0.319SS..  trans-95.7118.5-173.7-171.8-20000111.8A67 S68 F69N65-A67 VanDerWaalsContact C-N 3.35Å; N65-A67 PolarHBondContact O-N 3.26Å; N65-A67 WeakPolarHBondContact OD1-CB 3.5Å; N65-A67 PolarHBondContact OD1-N 3.48Å; N65-S68 PolarHBondContact O-N 2.85Å; N65-F69 PolarHBondContact O-N 3.19Å
66M95.5Very high95.1Very high25 Ų2561 Ų6112%0.12330%0.303CS..Hα-helixtrans-59.3-41.2175.4179.656.692.300112.7V46 Q49 F52 A53 S68 F69 V70V46-M66 HydrophobicContact CG1-CE 3.91Å; Q49-M66 HydrophobicContact CB-CE 3.56Å; Q49-M66 HydrophobicContact CG-CE 3.77Å; F52-M66 HydrophobicContact CD1-CE 3.46Å; F52-M66 VanDerWaalsContact CD1-CE 3.46Å; F52-M66 HydrophobicContact CD1-SD 4.4Å; F52-M66 HydrophobicContact CE1-CE 3.9Å; F52-M66 HydrophobicContact CE1-SD 4.32Å; F52-M66 HydrophobicContact CG-CE 4.47Å; A53-M66 HydrophobicContact CB-CB 4.23Å; M66-S68 PolarHBondContact O-N 3.44Å; M66-F69 WeakPolarHBondContact O-CA 3.35Å; M66-F69 WeakPolarHBondContact O-CB 3.26Å; M66-F69 PolarHBondContact O-N 3.3Å; M66-F69 HydrophobicContact SD-CB 4.44Å; M66-F69 HydrophobicContact SD-CD1 3.83Å; M66-V70 HydrophobicContact CG-CG2 4.17Å; M66-V70 WeakPolarHBondContact O-CG2 3.18Å; M66-V70 PolarHBondContact O-N 2.88Å; M66-V70 HydrophobicContact SD-CG2 3.94Å
67A94.9Very high95.1Very high64 Ų6461.5 Ų61.553%0.52931%0.309SS..Hα-helixtrans-62.1-33.7179.900000112N65 R71N65-A67 VanDerWaalsContact C-N 3.35Å; N65-A67 PolarHBondContact O-N 3.26Å; N65-A67 WeakPolarHBondContact OD1-CB 3.5Å; N65-A67 PolarHBondContact OD1-N 3.48Å; A67-R71 WeakPolarHBondContact O-CB 3.26Å; A67-R71 PolarHBondContact O-N 3.23Å
68S95.3Very high95.2Very high42 Ų4261.8 Ų61.829%0.29431%0.31SS..Hα-helixtrans-67.6-37.3173.7-560000112.5N65 M66 Q72N65-S68 PolarHBondContact O-N 2.85Å; M66-S68 PolarHBondContact O-N 3.44Å; S68-Q72 WeakPolarHBondContact O-CG 3.03Å; S68-Q72 PolarHBondContact O-N 2.9Å; S68-Q72 VanDerWaalsContact O-N 3.14Å
69F96.9Very high95.2Very high1 Ų166.8 Ų66.80%0.00432%0.32CS..Hα-helixtrans-66.1-50.1174.2176.2-102.3000111.5F18 L22 I35 F44 V46 F52 L57 F61 N65 M66 R71 Q72 L73F18-F69 HydrophobicContact CE2-CD2 4.18Å; F18-F69 HydrophobicContact CE2-CE2 4.39Å; F18-F69 HydrophobicContact CZ-CD2 4.5Å; F18-F69 HydrophobicContact CZ-CE2 4.46Å; L22-F69 HydrophobicContact CD1-CE2 3.71Å; L22-F69 HydrophobicContact CD1-CZ 3.6Å; I35-F69 HydrophobicContact CD1-CZ 4.34Å; F44-F69 HydrophobicContact CE2-CZ 4.37Å; V46-F69 HydrophobicContact CG2-CE1 4.45Å; F52-F69 HydrophobicContact CE1-CD1 4.11Å; F52-F69 HydrophobicContact CE1-CE1 4.06Å; F52-F69 HydrophobicContact CE1-CG 4.43Å; F52-F69 HydrophobicContact CE1-CZ 4.35Å; F52-F69 HydrophobicContact CZ-CE1 4.11Å; F52-F69 HydrophobicContact CZ-CE2 4.26Å; F52-F69 AromaticContact CZ-CZ 3.97Å; F52-F69 HydrophobicContact CZ-CZ 3.97Å; L57-F69 HydrophobicContact CD1-CB 4.08Å; L57-F69 HydrophobicContact CD2-CB 3.95Å; L57-F69 HydrophobicContact CD2-CD2 3.61Å; L57-F69 HydrophobicContact CD2-CE2 4.24Å; L57-F69 HydrophobicContact CD2-CG 3.85Å; F61-F69 HydrophobicContact CD2-CD2 4.47Å; F61-F69 AromaticContact CE2-CD2 3.96Å; F61-F69 HydrophobicContact CE2-CD2 3.96Å; F61-F69 AromaticContact CE2-CE2 3.98Å; F61-F69 HydrophobicContact CE2-CE2 3.98Å; F61-F69 HydrophobicContact CZ-CD2 4.44Å; F61-F69 HydrophobicContact CZ-CE2 4.35Å; N65-F69 PolarHBondContact O-N 3.19Å; M66-F69 WeakPolarHBondContact O-CA 3.35Å; M66-F69 WeakPolarHBondContact O-CB 3.26Å; M66-F69 PolarHBondContact O-N 3.3Å; M66-F69 HydrophobicContact SD-CB 4.44Å; M66-F69 HydrophobicContact SD-CD1 3.83Å; F69-R71 VanDerWaalsContact C-N 3.33Å; F69-R71 PolarHBondContact O-N 2.78Å; F69-Q72 WeakPolarHBondContact O-CB 3.41Å; F69-Q72 PolarHBondContact O-N 2.92Å; F69-Q72 VanDerWaalsContact O-N 3.12Å; F69-L73 HydrophobicContact CD1-CD1 4.01Å; F69-L73 HydrophobicContact CE1-CD1 3.6Å; F69-L73 HydrophobicContact CE1-CG 4.33Å; F69-L73 HydrophobicContact CZ-CD1 4.11Å; F69-L73 PolarHBondContact O-N 3.27Å
70V95.9Very high95.3Very high38 Ų3864.7 Ų64.723%0.2331%0.311CS..Hα-helixtrans-61.8-39176.5177.70000111.7M66 Q72 L73 N74 F99M66-V70 HydrophobicContact CG-CG2 4.17Å; M66-V70 WeakPolarHBondContact O-CG2 3.18Å; M66-V70 PolarHBondContact O-N 2.88Å; M66-V70 HydrophobicContact SD-CG2 3.94Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 2.87Å; V70-L73 WeakPolarHBondContact O-CB 3.5Å; V70-L73 PolarHBondContact O-N 3.04Å; V70-N74 VanDerWaalsContact O-CG 3.27Å; V70-N74 PolarHBondContact O-N 3.36Å; V70-N74 PolarHBondContact O-OD1 3.3Å; V70-F99 HydrophobicContact CG1-CE1 4.37Å; V70-F99 HydrophobicContact CG1-CZ 4.39Å; V70-F99 HydrophobicContact CG2-CZ 3.9Å
71R94.7Very high95.2Very high172 Ų17264.6 Ų64.665%0.64932%0.315SS*.Hα-helixtrans-58.6-43.6173.5-177.7175.2-175.6137.32.9111.7A67 F69 N74 M75A67-R71 WeakPolarHBondContact O-CB 3.26Å; A67-R71 PolarHBondContact O-N 3.23Å; F69-R71 VanDerWaalsContact C-N 3.33Å; F69-R71 PolarHBondContact O-N 2.78Å; R71-N74 PolarHBondContact O-N 3.27Å; R71-M75 VanDerWaalsContact O-CG 3.31Å; R71-M75 WeakPolarHBondContact O-CG 3.37Å; R71-M75 PolarHBondContact O-N 3.44Å
72Q95.3Very high94.7Very high48 Ų4868.7 Ų68.722%0.22434%0.342CS..Hα-helixtrans-63.8-45.4176.4-73-79.8107.200111.3F18 S68 F69 V70 N74 M75 Y76F18-Q72 HydrophobicContact CD1-CB 4.3Å; F18-Q72 HydrophobicContact CD2-CB 3.73Å; F18-Q72 HydrophobicContact CD2-CG 4.1Å; F18-Q72 HydrophobicContact CE1-CB 3.95Å; F18-Q72 HydrophobicContact CE2-CB 3.35Å; F18-Q72 HydrophobicContact CE2-CG 4.09Å; F18-Q72 HydrophobicContact CG-CB 4.2Å; F18-Q72 HydrophobicContact CZ-CB 3.48Å; F18-Q72 VanDerWaalsContact CZ-CB 3.48Å; S68-Q72 WeakPolarHBondContact O-CG 3.03Å; S68-Q72 PolarHBondContact O-N 2.9Å; S68-Q72 VanDerWaalsContact O-N 3.14Å; F69-Q72 WeakPolarHBondContact O-CB 3.41Å; F69-Q72 PolarHBondContact O-N 2.92Å; F69-Q72 VanDerWaalsContact O-N 3.12Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 2.87Å; Q72-N74 PolarHBondContact O-N 3.46Å; Q72-M75 PolarHBondContact O-N 3.07Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.39Å; Q72-Y76 PolarHBondContact O-N 3.16Å; Q72-Y76 VanDerWaalsContact O-N 3.07Å
73L96.4Very high93.8Very high0 Ų063.7 Ų63.70%032%0.321CS..Hα-helixtrans-53.1-50.6172.8-68.6177.6000111.7F18 L22 F44 F69 V70 M75 Y76 G77 F78 F99F18-L73 HydrophobicContact CE1-CD2 4.08Å; F18-L73 HydrophobicContact CZ-CD2 3.86Å; F18-L73 HydrophobicContact CZ-CG 4.16Å; L22-L73 HydrophobicContact CD1-CD2 4.37Å; L22-L73 HydrophobicContact CD2-CD2 3.49Å; L22-L73 VanDerWaalsContact CD2-CD2 3.49Å; F44-L73 HydrophobicContact CE1-CD2 4.35Å; F44-L73 HydrophobicContact CZ-CD1 3.95Å; F44-L73 HydrophobicContact CZ-CD2 3.83Å; F69-L73 HydrophobicContact CD1-CD1 4.01Å; F69-L73 HydrophobicContact CE1-CD1 3.6Å; F69-L73 HydrophobicContact CE1-CG 4.33Å; F69-L73 HydrophobicContact CZ-CD1 4.11Å; F69-L73 PolarHBondContact O-N 3.27Å; V70-L73 WeakPolarHBondContact O-CB 3.5Å; V70-L73 PolarHBondContact O-N 3.04Å; L73-M75 VanDerWaalsContact C-N 3.33Å; L73-M75 PolarHBondContact O-N 3.18Å; L73-Y76 CarbonylContact O-C 3.56Å; L73-Y76 WeakPolarHBondContact O-CA 3.37Å; L73-Y76 PolarHBondContact O-N 2.88Å; L73-G77 PolarHBondContact O-N 3.15Å; L73-G77 VanDerWaalsContact O-N 3.12Å; L73-F78 HydrophobicContact CB-CB 3.93Å; L73-F78 HydrophobicContact CB-CD2 4.45Å; L73-F78 HydrophobicContact CB-CG 4.28Å; L73-F78 HydrophobicContact CD2-CB 4.36Å; L73-F78 HydrophobicContact CD2-CD1 4.04Å; L73-F78 HydrophobicContact CD2-CD2 3.98Å; L73-F78 HydrophobicContact CD2-CE1 4.33Å; L73-F78 HydrophobicContact CD2-CE2 4.28Å; L73-F78 HydrophobicContact CD2-CG 3.86Å; L73-F78 HydrophobicContact CD2-CZ 4.44Å; L73-F78 WeakPolarHBondContact O-CB 3.4Å; L73-F78 WeakPolarHBondContact O-CD2 3.42Å; L73-F78 PolarHBondContact O-N 2.85Å; L73-F78 VanDerWaalsContact O-N 3.09Å; L73-F99 HydrophobicContact CD1-CB 4.41Å; L73-F99 HydrophobicContact CD1-CD1 3.86Å; L73-F99 HydrophobicContact CD1-CD2 3.8Å; L73-F99 HydrophobicContact CD1-CE1 3.98Å; L73-F99 HydrophobicContact CD1-CE2 3.91Å; L73-F99 HydrophobicContact CD1-CG 3.77Å; L73-F99 HydrophobicContact CD1-CZ 4.01Å
74N95.3Very high92.5Very high83 Ų8368.3 Ų68.344%0.44435%0.346SS..Hα-helixtrans-61-39.8179-67.9-9.4000112.4V70 R71 Q72 Y76 G77V70-N74 VanDerWaalsContact O-CG 3.27Å; V70-N74 PolarHBondContact O-N 3.36Å; V70-N74 PolarHBondContact O-OD1 3.3Å; R71-N74 PolarHBondContact O-N 3.27Å; Q72-N74 PolarHBondContact O-N 3.46Å; N74-Y76 VanDerWaalsContact C-N 3.25Å; N74-Y76 PolarHBondContact O-N 2.86Å; N74-G77 PolarHBondContact O-N 2.93Å
75M93.9Very high90.9Very high39 Ų3971.7 Ų71.719%0.19236%0.359CS..Hα-helixtrans-65.6-25.1174.8-71.7-164.889.100113.4R71 Q72 L73 R117 K118R71-M75 VanDerWaalsContact O-CG 3.31Å; R71-M75 WeakPolarHBondContact O-CG 3.37Å; R71-M75 PolarHBondContact O-N 3.44Å; Q72-M75 PolarHBondContact O-N 3.07Å; L73-M75 VanDerWaalsContact C-N 3.33Å; L73-M75 PolarHBondContact O-N 3.18Å; M75-R117 HydrophobicContact CB-CG 4.26Å; M75-R117 HydrophobicContact CE-CG 4.48Å; M75-R117 CarbonylContact O-C 3.51Å; M75-R117 WeakPolarHBondContact O-CA 3.36Å; M75-R117 PolarHBondContact SD-NH2 3.25Å; M75-K118 PolarHBondContact O-N 3.05Å
76Y95.6Very high88.9Confident16 Ų1674 Ų746%0.06337%0.367CS..THydrogen-bonded Turntrans-94.79171.9-70.5-68.6000113.3P16 F18 L19 Q72 L73 N74 F78 I115 R117P16-Y76 HydrophobicContact CB-CE1 3.95Å; P16-Y76 VanDerWaalsContact CB-OH 3.26Å; P16-Y76 WeakPolarHBondContact CB-OH 3.36Å; P16-Y76 HydrophobicContact CG-CE1 3.81Å; F18-Y76 HydrophobicContact CB-CE2 3.96Å; F18-Y76 AromaticContact CD1-CD2 3.32Å; F18-Y76 HydrophobicContact CD1-CD2 3.32Å; F18-Y76 AromaticContact CD1-CE2 3.38Å; F18-Y76 HydrophobicContact CD1-CE2 3.38Å; F18-Y76 HydrophobicContact CD1-CG 4.38Å; F18-Y76 AromaticContact CE1-CD2 3.69Å; F18-Y76 HydrophobicContact CE1-CD2 3.69Å; F18-Y76 HydrophobicContact CE1-CE2 4.17Å; F18-Y76 HydrophobicContact CG-CD2 4.25Å; F18-Y76 AromaticContact CG-CE2 3.88Å; F18-Y76 HydrophobicContact CG-CE2 3.88Å; L19-Y76 HydrophobicContact CD1-CD1 4.01Å; L19-Y76 HydrophobicContact CD1-CE1 4.25Å; L19-Y76 HydrophobicContact CD1-CG 4.47Å; L19-Y76 HydrophobicContact CD2-CD1 4.26Å; L19-Y76 HydrophobicContact CD2-CD2 4.14Å; L19-Y76 HydrophobicContact CD2-CG 3.88Å; L19-Y76 HydrophobicContact CG-CD1 4.25Å; L19-Y76 HydrophobicContact CG-CE1 4.45Å; L19-Y76 HydrophobicContact CG-CG 4.31Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.39Å; Q72-Y76 PolarHBondContact O-N 3.16Å; Q72-Y76 VanDerWaalsContact O-N 3.07Å; L73-Y76 CarbonylContact O-C 3.56Å; L73-Y76 WeakPolarHBondContact O-CA 3.37Å; L73-Y76 PolarHBondContact O-N 2.88Å; N74-Y76 VanDerWaalsContact C-N 3.25Å; N74-Y76 PolarHBondContact O-N 2.86Å; Y76-F78 VanDerWaalsContact C-N 3.34Å; Y76-F78 PolarHBondContact O-N 3.43Å; Y76-I115 HydrophobicContact CD1-CG2 4.2Å; Y76-I115 HydrophobicContact CG-CG2 4.42Å; Y76-I115 WeakPolarHBondContact O-CG2 3.31Å; Y76-R117 HydrophobicContact CD1-CB 4.05Å; Y76-R117 HydrophobicContact CD1-CG 4.36Å; Y76-R117 HydrophobicContact CE1-CB 3.55Å; Y76-R117 HydrophobicContact CE1-CG 3.88Å
77G94.9Very high87Confident15 Ų1576.5 Ų76.516%0.15540%0.4CS..THydrogen-bonded Turntrans79.49.517300000115.6L73 N74L73-G77 PolarHBondContact O-N 3.15Å; L73-G77 VanDerWaalsContact O-N 3.12Å; N74-G77 PolarHBondContact O-N 2.93Å
78F97.1Very high85.1Confident6 Ų677.6 Ų77.63%0.02642%0.417CS..  trans-60.2150.6169-70.6-104.9000110.2L19 L22 F44 L73 Y76 Q100 H101 F104 I115L19-F78 HydrophobicContact CD2-CE2 3.77Å; L19-F78 HydrophobicContact CD2-CZ 4.18Å; L22-F78 HydrophobicContact CD2-CE1 4.09Å; L22-F78 HydrophobicContact CD2-CE2 4.3Å; L22-F78 HydrophobicContact CD2-CZ 3.73Å; F44-F78 AromaticContact CE1-CD1 3.93Å; F44-F78 HydrophobicContact CE1-CD1 3.93Å; F44-F78 AromaticContact CE1-CE1 3.8Å; F44-F78 HydrophobicContact CE1-CE1 3.8Å; L73-F78 HydrophobicContact CB-CB 3.93Å; L73-F78 HydrophobicContact CB-CD2 4.45Å; L73-F78 HydrophobicContact CB-CG 4.28Å; L73-F78 HydrophobicContact CD2-CB 4.36Å; L73-F78 HydrophobicContact CD2-CD1 4.04Å; L73-F78 HydrophobicContact CD2-CD2 3.98Å; L73-F78 HydrophobicContact CD2-CE1 4.33Å; L73-F78 HydrophobicContact CD2-CE2 4.28Å; L73-F78 HydrophobicContact CD2-CG 3.86Å; L73-F78 HydrophobicContact CD2-CZ 4.44Å; L73-F78 WeakPolarHBondContact O-CB 3.4Å; L73-F78 WeakPolarHBondContact O-CD2 3.42Å; L73-F78 PolarHBondContact O-N 2.85Å; L73-F78 VanDerWaalsContact O-N 3.09Å; Y76-F78 VanDerWaalsContact C-N 3.34Å; Y76-F78 PolarHBondContact O-N 3.43Å; F78-Q100 WeakPolarHBondContact CA-O 3.4Å; F78-H101 HydrophobicContact CD1-CB 3.52Å; F78-H101 HydrophobicContact CD2-CB 4.18Å; F78-H101 HydrophobicContact CE1-CB 3.58Å; F78-H101 HydrophobicContact CE2-CB 4.23Å; F78-H101 HydrophobicContact CG-CB 3.83Å; F78-H101 HydrophobicContact CZ-CB 3.95Å; F78-F104 HydrophobicContact CE1-CB 3.77Å; F78-F104 AromaticContact CE1-CD1 3.79Å; F78-F104 HydrophobicContact CE1-CD1 3.79Å; F78-F104 AromaticContact CE1-CD2 3.98Å; F78-F104 HydrophobicContact CE1-CD2 3.98Å; F78-F104 HydrophobicContact CE1-CE1 4.38Å; F78-F104 AromaticContact CE1-CG 3.57Å; F78-F104 HydrophobicContact CE1-CG 3.57Å; F78-F104 HydrophobicContact CZ-CB 3.86Å; F78-F104 HydrophobicContact CZ-CD1 4.28Å; F78-F104 AromaticContact CZ-CD2 3.6Å; F78-F104 HydrophobicContact CZ-CD2 3.6Å; F78-F104 HydrophobicContact CZ-CE2 4.21Å; F78-F104 AromaticContact CZ-CG 3.65Å; F78-F104 HydrophobicContact CZ-CG 3.65Å; F78-I115 HydrophobicContact CE2-CG2 4.37Å; F78-I115 HydrophobicContact CZ-CD1 4.3Å
79R95.8Very high83.2Confident170 Ų17083.5 Ų83.564%0.64244%0.444SS*.EExtended strand (participates in β ladder)trans-122.7138.3177.6-61.5-178.3-180-87.34.7109.1F99 Q100R79-F99 WeakPolarHBondContact O-CA 3.35Å; R79-Q100 PolarHBondContact N-O 3.11Å; R79-Q100 PolarHBondContact O-N 3.36Å
80K95.3Very high81.4Confident113 Ų11388.6 Ų88.649%0.49148%0.475SS..EExtended strand (participates in β ladder)trans-72.7128.4167.9173.8164.2174.5152.60108.5T97 E98 F99K80-T97 HydrophobicContact CD-CG2 3.64Å; K80-T97 HydrophobicContact CG-CG2 4.08Å; K80-T97 PolarHBondContact NZ-OG1 3.03Å; K80-E98 WeakPolarHBondContact CA-O 3.19Å; K80-F99 HydrophobicContact CB-CD1 4.11Å; K80-F99 HydrophobicContact CB-CE1 3.92Å
81V92.6Very high79.6Confident42 Ų4294.9 Ų94.926%0.25550%0.499SS..  trans-81.5135.1171.3-175.10000107.9E98 Q100V81-E98 HydrophobicContact CB-CB 4.08Å; V81-E98 HydrophobicContact CB-CG 4.09Å; V81-E98 WeakPolarHBondContact CB-OE2 3.42Å; V81-E98 WeakPolarHBondContact CG1-OE2 3.34Å; V81-E98 HydrophobicContact CG2-CB 4.42Å; V81-E98 HydrophobicContact CG2-CG 3.93Å; V81-E98 PolarHBondContact N-O 2.92Å; V81-Q100 HydrophobicContact CG2-CB 3.95Å
82V84.3Confident78Confident106 Ų10690.1 Ų90.164%0.64249%0.491SS*.  trans-112.9108.6-179.2-179.80000108.4I84V82-I84 HydrophobicContact CG1-CG1 4.45Å; V82-I84 PolarHBondContact O-N 2.91Å
83H74.2Confident76.4Confident116 Ų11697 Ų9754%0.53752%0.523SS..  trans-76.7115.1171.4-65.396000109.1E85 E98H83-E85 VanDerWaalsContact C-N 3.29Å; H83-E98 IonicContact CE1-OE2 3.85Å; H83-E98 PolarHBondContact CE1-OE2 3.18Å; H83-E98 IonicContact NE2-OE2 3.02Å
84I68.4Low75Confident153 Ų153105.7 Ų105.779%0.78556%0.556SS**  trans-85.5-4.8-173.8-61.1169.1000111.6V82 Q86V82-I84 HydrophobicContact CG1-CG1 4.45Å; V82-I84 PolarHBondContact O-N 2.91Å; I84-Q86 VanDerWaalsContact C-N 3.27Å; I84-Q86 PolarHBondContact O-N 2.81Å
85E60.1Low74.4Confident179 Ų179105.8 Ų105.884%0.83656%0.556SS**  trans-76.10.8-158.1-53.7-164.2-179.600116.5H83H83-E85 VanDerWaalsContact C-N 3.29Å
86Q54.6Low74.2Confident125 Ų125107.1 Ų107.158%0.58456%0.564SS**SBendtrans-127.1101-178-69.1-179.9-7.500111.5I84 G88I84-Q86 VanDerWaalsContact C-N 3.27Å; I84-Q86 PolarHBondContact O-N 2.81Å; Q86-G88 PolarHBondContact O-N 3.33Å
87G55.3Low74.1Confident79 Ų79106.7 Ų106.781%0.81456%0.564SS**  trans-6691.6176.600000112.9L89G87-L89 PolarHBondContact O-N 2.89Å
88G55.1Low74.2Confident86 Ų86107 Ų10789%0.88756%0.561SS**SBendtrans64-14.514800000120.5Q86Q86-G88 PolarHBondContact O-N 3.33Å
89L56.2Low74.2Confident166 Ų166107 Ų10787%0.86956%0.561SS**SBendtrans-125.6-15.8-166.1-159.165.1000115.2G87G87-L89 PolarHBondContact O-N 2.89Å
90V59.3Low74.3Confident108 Ų108102.6 Ų102.666%0.65555%0.547SS*.SBendtrans-107.3112.8171.7-176.30000107.7
91K56.9Low74.4Confident170 Ų17098.3 Ų98.374%0.73953%0.529SS*.  trans-62129.1169.8-170.2-176.4-179-170.10107.5E93K91-E93 PolarHBondContact O-N 3.02Å
92P60.5Low74.5Confident72 Ų72101.4 Ų101.447%0.46855%0.55SS..  trans-50.8132.9174.6-28.235.8000110.2R94P92-R94 WeakPolarHBondContact CB-O 3.48Å; P92-R94 PolarHBondContact O-N 3.24Å; P92-R94 VanDerWaalsContact O-N 3.08Å
93E61.8Low75Confident194 Ų19498 Ų9891%0.90753%0.531SS*.SBendtrans-59-24.7-176.8-171.4-178.3160.300112K91K91-E93 PolarHBondContact O-N 3.02Å
94R68.8Low76.1Confident182 Ų18292.5 Ų92.569%0.68751%0.505SS*.SBendtrans-134.6142.9177.2-34.9-131.377.1174.7-0.5109P92 D96P92-R94 WeakPolarHBondContact CB-O 3.48Å; P92-R94 PolarHBondContact O-N 3.24Å; P92-R94 VanDerWaalsContact O-N 3.08Å; R94-D96 PolarHBondContact O-N 3.12Å
95D82.5Confident77.4Confident84 Ų8487 Ų8745%0.44948%0.477SS..  trans-73.374.6171.6-73.1-23.9000109.9F47 D48F47-D95 WeakPolarHBondContact CA-O 3.43Å; D48-D95 PolarHBondContact N-O 3.4Å
96D89.8Confident79.1Confident67 Ų6784.1 Ų84.136%0.35846%0.459SS..  trans-81.9137172.4-174.2-0.6000110.3H45 F47 R94H45-D96 IonicContact CE1-OD2 3.13Å; H45-D96 IonicContact CG-OD1 2.74Å; H45-D96 IonicContact ND1-OD1 3.63Å; H45-D96 PolarHBondContact ND1-OD1 2.86Å; H45-D96 IonicContact ND1-OD2 3.15Å; H45-D96 PolarHBondContact ND1-OD2 3.41Å; H45-D96 VanDerWaalsContact ND1-OD2 3.13Å; F47-D96 HydrophobicContact CD1-CB 3.94Å; F47-D96 HydrophobicContact CE1-CB 3.95Å; F47-D96 VanDerWaalsContact CE1-CG 3.49Å; R94-D96 PolarHBondContact O-N 3.12Å
97T93.6Very high80.9Confident8 Ų881 Ų815%0.04946%0.46CS..EExtended strand (participates in β ladder)trans-143.8114.7167.8-74.20000110.4V46 Q49 K80 F99V46-T97 PolarHBondContact N-O 3.12Å; V46-T97 PolarHBondContact O-N 3.05Å; Q49-T97 PolarHBondContact NE2-OG1 3.14Å; K80-T97 HydrophobicContact CD-CG2 3.64Å; K80-T97 HydrophobicContact CG-CG2 4.08Å; K80-T97 PolarHBondContact NZ-OG1 3.03Å; T97-F99 HydrophobicContact CG2-CD2 4.15Å; T97-F99 HydrophobicContact CG2-CE1 4.39Å; T97-F99 HydrophobicContact CG2-CE2 3.49Å; T97-F99 VanDerWaalsContact CG2-CE2 3.49Å; T97-F99 HydrophobicContact CG2-CZ 3.62Å
98E95.8Very high82.7Confident20 Ų2081 Ų819%0.09344%0.439CS..EExtended strand (participates in β ladder)trans-88.1138.9176.9-176.8-172.1-174.800111.9S43 F44 K80 V81 H83S43-E98 WeakPolarHBondContact CB-OE1 3.37Å; S43-E98 PolarHBondContact OG-OE1 2.99Å; F44-E98 CarbonylContact O-C 3.5Å; F44-E98 VanDerWaalsContact O-CA 3.3Å; F44-E98 WeakPolarHBondContact O-CA 3.45Å; K80-E98 WeakPolarHBondContact CA-O 3.19Å; V81-E98 HydrophobicContact CB-CB 4.08Å; V81-E98 HydrophobicContact CB-CG 4.09Å; V81-E98 WeakPolarHBondContact CB-OE2 3.42Å; V81-E98 WeakPolarHBondContact CG1-OE2 3.34Å; V81-E98 HydrophobicContact CG2-CB 4.42Å; V81-E98 HydrophobicContact CG2-CG 3.93Å; V81-E98 PolarHBondContact N-O 2.92Å; H83-E98 IonicContact CE1-OE2 3.85Å; H83-E98 PolarHBondContact CE1-OE2 3.18Å; H83-E98 IonicContact NE2-OE2 3.02Å
99F97.4Very high84.5Confident8 Ų881.1 Ų81.14%0.03542%0.417CS..EExtended strand (participates in β ladder)trans-123.8140.5170.8-65.2-82.8000111.4S43 F44 V46 V70 L73 R79 K80 T97S43-F99 WeakPolarHBondContact CA-O 3.48Å; S43-F99 WeakPolarHBondContact CB-O 3.47Å; F44-F99 HydrophobicContact CD1-CB 4.33Å; F44-F99 HydrophobicContact CE1-CB 3.74Å; F44-F99 HydrophobicContact CE2-CB 4.09Å; F44-F99 AromaticContact CE2-CD2 3.91Å; F44-F99 HydrophobicContact CE2-CD2 3.91Å; F44-F99 HydrophobicContact CE2-CG 4.42Å; F44-F99 HydrophobicContact CZ-CB 3.6Å; F44-F99 HydrophobicContact CZ-CD2 4.06Å; F44-F99 HydrophobicContact CZ-CG 4.15Å; F44-F99 PolarHBondContact N-O 2.76Å; F44-F99 PolarHBondContact O-N 2.74Å; V46-F99 HydrophobicContact CG2-CD2 4.27Å; V46-F99 HydrophobicContact CG2-CE2 4.34Å; V70-F99 HydrophobicContact CG1-CE1 4.37Å; V70-F99 HydrophobicContact CG1-CZ 4.39Å; V70-F99 HydrophobicContact CG2-CZ 3.9Å; L73-F99 HydrophobicContact CD1-CB 4.41Å; L73-F99 HydrophobicContact CD1-CD1 3.86Å; L73-F99 HydrophobicContact CD1-CD2 3.8Å; L73-F99 HydrophobicContact CD1-CE1 3.98Å; L73-F99 HydrophobicContact CD1-CE2 3.91Å; L73-F99 HydrophobicContact CD1-CG 3.77Å; L73-F99 HydrophobicContact CD1-CZ 4.01Å; R79-F99 WeakPolarHBondContact O-CA 3.35Å; K80-F99 HydrophobicContact CB-CD1 4.11Å; K80-F99 HydrophobicContact CB-CE1 3.92Å; T97-F99 HydrophobicContact CG2-CD2 4.15Å; T97-F99 HydrophobicContact CG2-CE1 4.39Å; T97-F99 HydrophobicContact CG2-CE2 3.49Å; T97-F99 VanDerWaalsContact CG2-CE2 3.49Å; T97-F99 HydrophobicContact CG2-CZ 3.62Å
100Q97Very high86.2Confident76 Ų7678.7 Ų78.736%0.35540%0.401SS..EExtended strand (participates in β ladder)trans-129.2145-178.8177.8168.974.700111.9N42 F78 R79 V81N42-Q100 PolarHBondContact ND2-NE2 3.32Å; N42-Q100 WeakPolarHBondContact O-CG 3.35Å; F78-Q100 WeakPolarHBondContact CA-O 3.4Å; R79-Q100 PolarHBondContact N-O 3.11Å; R79-Q100 PolarHBondContact O-N 3.36Å; V81-Q100 HydrophobicContact CG2-CB 3.95Å
101H97.6Very high87.8Confident24 Ų2475.5 Ų75.511%0.11138%0.38CS..  trans-146.4133.1163.8-179-83.7000109.9F78 C103 F104F78-H101 HydrophobicContact CD1-CB 3.52Å; F78-H101 HydrophobicContact CD2-CB 4.18Å; F78-H101 HydrophobicContact CE1-CB 3.58Å; F78-H101 HydrophobicContact CE2-CB 4.23Å; F78-H101 HydrophobicContact CG-CB 3.83Å; F78-H101 HydrophobicContact CZ-CB 3.95Å; H101-C103 VanDerWaalsContact C-N 3.26Å; H101-C103 PolarHBondContact ND1-N 3.19Å; H101-C103 VanDerWaalsContact ND1-N 3.12Å; H101-C103 PolarHBondContact O-N 3.12Å; H101-C103 VanDerWaalsContact O-N 3.11Å; H101-F104 HydrophobicContact CB-CB 3.9Å; H101-F104 PolarHBondContact O-N 3.31Å
102P95.6Very high89.5Confident106 Ų10667.4 Ų67.469%0.68835%0.345SS*.THydrogen-bonded Turntrans-55.8-34-173.1-28.635.7000115.6
103C95.3Very high91.1Very high35 Ų3569 Ų6924%0.23635%0.346CS..THydrogen-bonded Turntrans-95.813.8178.5-46.70000113.8H101 L111 N114 I115H101-C103 VanDerWaalsContact C-N 3.26Å; H101-C103 PolarHBondContact ND1-N 3.19Å; H101-C103 VanDerWaalsContact ND1-N 3.12Å; H101-C103 PolarHBondContact O-N 3.12Å; H101-C103 VanDerWaalsContact O-N 3.11Å; C103-L111 HydrophobicContact CB-CB 4.26Å; C103-L111 CarbonylContact O-C 3.45Å; C103-L111 VanDerWaalsContact O-CB 3.26Å; C103-L111 WeakPolarHBondContact O-CB 3.49Å; C103-N114 HydrophobicContact CB-CB 4.22Å; C103-I115 HydrophobicContact CB-CG1 3.89Å
104F97.1Very high92.6Very high0 Ų063.9 Ų63.90%033%0.325CS..  trans-113.989.2177.8-172-95.2000109.4L22 W23 V26 W37 F44 F78 H101 L112 I115L22-F104 HydrophobicContact CB-CE2 4.45Å; L22-F104 HydrophobicContact CD2-CE2 3.86Å; L22-F104 HydrophobicContact CD2-CZ 3.91Å; L22-F104 HydrophobicContact CG-CE2 3.97Å; L22-F104 HydrophobicContact CG-CZ 3.72Å; W23-F104 HydrophobicContact CB-CE2 3.86Å; W23-F104 HydrophobicContact CB-CZ 4.18Å; W23-F104 HydrophobicContact CG-CE2 4.38Å; V26-F104 HydrophobicContact CG2-CE1 4.42Å; V26-F104 HydrophobicContact CG2-CZ 4.31Å; W37-F104 AromaticContact CH2-CD1 3.57Å; W37-F104 HydrophobicContact CH2-CD1 3.57Å; W37-F104 AromaticContact CH2-CE1 3.19Å; W37-F104 HydrophobicContact CH2-CE1 3.19Å; W37-F104 HydrophobicContact CH2-CG 4.37Å; W37-F104 AromaticContact CH2-CZ 3.73Å; W37-F104 HydrophobicContact CH2-CZ 3.73Å; W37-F104 HydrophobicContact CZ2-CE1 4.06Å; W37-F104 HydrophobicContact CZ2-CZ 4.28Å; W37-F104 AromaticContact CZ3-CD1 3.6Å; W37-F104 HydrophobicContact CZ3-CD1 3.6Å; W37-F104 AromaticContact CZ3-CE1 3.48Å; W37-F104 HydrophobicContact CZ3-CE1 3.48Å; W37-F104 VanDerWaalsContact CZ3-CE1 3.48Å; W37-F104 HydrophobicContact CZ3-CZ 4.43Å; F44-F104 HydrophobicContact CD1-CD1 4.04Å; F44-F104 AromaticContact CD1-CE1 3.61Å; F44-F104 HydrophobicContact CD1-CE1 3.61Å; F44-F104 HydrophobicContact CE1-CD1 4.36Å; F44-F104 HydrophobicContact CE1-CE1 4Å; F78-F104 HydrophobicContact CE1-CB 3.77Å; F78-F104 AromaticContact CE1-CD1 3.79Å; F78-F104 HydrophobicContact CE1-CD1 3.79Å; F78-F104 AromaticContact CE1-CD2 3.98Å; F78-F104 HydrophobicContact CE1-CD2 3.98Å; F78-F104 HydrophobicContact CE1-CE1 4.38Å; F78-F104 AromaticContact CE1-CG 3.57Å; F78-F104 HydrophobicContact CE1-CG 3.57Å; F78-F104 HydrophobicContact CZ-CB 3.86Å; F78-F104 HydrophobicContact CZ-CD1 4.28Å; F78-F104 AromaticContact CZ-CD2 3.6Å; F78-F104 HydrophobicContact CZ-CD2 3.6Å; F78-F104 HydrophobicContact CZ-CE2 4.21Å; F78-F104 AromaticContact CZ-CG 3.65Å; F78-F104 HydrophobicContact CZ-CG 3.65Å; H101-F104 HydrophobicContact CB-CB 3.9Å; H101-F104 PolarHBondContact O-N 3.31Å; F104-L112 HydrophobicContact CD2-CD2 3.43Å; F104-L112 VanDerWaalsContact CD2-CD2 3.43Å; F104-L112 HydrophobicContact CE2-CD2 3.81Å; F104-I115 HydrophobicContact CB-CD1 3.93Å; F104-I115 HydrophobicContact CD2-CD1 4.08Å
105L95.5Very high93.8Very high38 Ų3855.3 Ų55.320%0.19929%0.292CS..  trans-122.8145.8-172.1-52.1180000111.8W23 G41 N42 G107 Q108 L111W23-L105 PolarHBondContact NE1-O 2.69Å; W23-L105 VanDerWaalsContact NE1-O 3.16Å; G41-L105 WeakPolarHBondContact O-CA 3.1Å; N42-L105 HydrophobicContact CB-CD2 3.82Å; L105-G107 PolarHBondContact O-N 3.12Å; L105-Q108 HydrophobicContact CB-CB 4.24Å; L105-Q108 HydrophobicContact CB-CG 4.47Å; L105-Q108 PolarHBondContact O-N 3.04Å; L105-L111 HydrophobicContact CD1-CD1 3.7Å; L105-L111 HydrophobicContact CG-CD1 4.15Å
106R95.4Very high94.2Very high119 Ų11958.1 Ų58.145%0.44930%0.3SS..THydrogen-bonded Turntrans-60.1129.6175-173.616961.4-146.1-7.6110.1W37 S38 P39 G41 Q108W37-R106 HydrophobicContact CD2-CB 3.63Å; W37-R106 HydrophobicContact CD2-CG 4.01Å; W37-R106 HydrophobicContact CE3-CB 3.89Å; W37-R106 HydrophobicContact CG-CB 4Å; W37-R106 HydrophobicContact CG-CG 3.94Å; W37-R106 HydrophobicContact CH2-CB 4.49Å; W37-R106 HydrophobicContact CZ2-CB 4.28Å; W37-R106 HydrophobicContact CZ3-CB 4.31Å; S38-R106 PolarHBondContact O-NH1 3.09Å; S38-R106 VanDerWaalsContact O-NH1 3.12Å; P39-R106 PolarHBondContact O-NH2 3.46Å; G41-R106 PolarHBondContact O-N 3.29Å; R106-Q108 VanDerWaalsContact C-N 3.27Å; R106-Q108 PolarHBondContact O-N 2.92Å
107G92.5Very high94.3Very high60 Ų6060.8 Ų60.862%0.61931%0.305SS*.THydrogen-bonded Turntrans73.75.8179.100000116L105L105-G107 PolarHBondContact O-N 3.12Å
108Q92.3Very high94.1Very high78 Ų7866 Ų6636%0.36433%0.328SS..  trans-123.260.4179.6-57.5-169.436.800112L105 R106 Q110 L111L105-Q108 HydrophobicContact CB-CB 4.24Å; L105-Q108 HydrophobicContact CB-CG 4.47Å; L105-Q108 PolarHBondContact O-N 3.04Å; R106-Q108 VanDerWaalsContact C-N 3.27Å; R106-Q108 PolarHBondContact O-N 2.92Å; Q108-Q110 PolarHBondContact O-N 3.49Å; Q108-L111 HydrophobicContact CB-CD1 4.03Å; Q108-L111 HydrophobicContact CB-CG 4.19Å; Q108-L111 PolarHBondContact O-N 3.37Å; Q108-L111 VanDerWaalsContact O-N 3.07Å; Q108-L111 VanDerWaalsContact OE1-CD1 3.26Å
109E93.3Very high93.1Very high89 Ų8970.7 Ų70.742%0.41636%0.357SS..G310 helixtrans-57-31-179.1-165.2-175.2173.300112.7W23 L111 L112W23-E109 HydrophobicContact CD2-CB 4.32Å; W23-E109 HydrophobicContact CD2-CG 4.2Å; W23-E109 HydrophobicContact CE3-CB 4.49Å; W23-E109 HydrophobicContact CE3-CG 4.21Å; W23-E109 HydrophobicContact CH2-CB 4.31Å; W23-E109 HydrophobicContact CZ2-CB 4.09Å; W23-E109 HydrophobicContact CZ3-CB 4.5Å; E109-L111 PolarHBondContact O-N 3.39Å; E109-L111 VanDerWaalsContact O-N 3.16Å; E109-L112 HydrophobicContact CG-CD1 3.69Å; E109-L112 HydrophobicContact CG-CG 4.43Å; E109-L112 VanDerWaalsContact O-CB 3.26Å; E109-L112 WeakPolarHBondContact O-CB 3.41Å; E109-L112 WeakPolarHBondContact O-CG 3.49Å; E109-L112 PolarHBondContact O-N 3.07Å
110Q91.7Very high91.3Very high115 Ų11575.9 Ų75.954%0.53739%0.39SS..G310 helixtrans-57.6-30.2176.769.1-76.4-2.200113.3Q108 L112 E113Q108-Q110 PolarHBondContact O-N 3.49Å; Q110-L112 PolarHBondContact O-N 2.78Å; Q110-E113 WeakPolarHBondContact O-CG 3.26Å; Q110-E113 PolarHBondContact O-N 2.91Å
111L93.1Very high88.9Confident40 Ų4074.5 Ų74.521%0.20939%0.389CS..G310 helixtrans-70.6-15179.6-66.9-177.7000113.6C103 L105 Q108 E109 E113 N114C103-L111 HydrophobicContact CB-CB 4.26Å; C103-L111 CarbonylContact O-C 3.45Å; C103-L111 VanDerWaalsContact O-CB 3.26Å; C103-L111 WeakPolarHBondContact O-CB 3.49Å; L105-L111 HydrophobicContact CD1-CD1 3.7Å; L105-L111 HydrophobicContact CG-CD1 4.15Å; Q108-L111 HydrophobicContact CB-CD1 4.03Å; Q108-L111 HydrophobicContact CB-CG 4.19Å; Q108-L111 PolarHBondContact O-N 3.37Å; Q108-L111 VanDerWaalsContact O-N 3.07Å; Q108-L111 VanDerWaalsContact OE1-CD1 3.26Å; E109-L111 PolarHBondContact O-N 3.39Å; E109-L111 VanDerWaalsContact O-N 3.16Å; L111-E113 PolarHBondContact O-N 3.41Å; L111-N114 WeakPolarHBondContact O-CB 3.14Å; L111-N114 PolarHBondContact O-N 3.02Å
112L93.9Very high86.8Confident1 Ų179.6 Ų79.61%0.00542%0.421CS..G310 helixtrans-60.2-25.8175.7-60.1-179.5000112.2V15 W23 F104 E109 Q110 N114 I115V15-L112 HydrophobicContact CG1-CB 3.74Å; V15-L112 HydrophobicContact CG1-CD1 4.34Å; V15-L112 HydrophobicContact CG2-CB 4.13Å; W23-L112 HydrophobicContact CB-CD1 3.71Å; W23-L112 HydrophobicContact CB-CD2 4.36Å; W23-L112 HydrophobicContact CG-CD1 3.96Å; W23-L112 HydrophobicContact CG-CD2 4.5Å; F104-L112 HydrophobicContact CD2-CD2 3.43Å; F104-L112 VanDerWaalsContact CD2-CD2 3.43Å; F104-L112 HydrophobicContact CE2-CD2 3.81Å; E109-L112 HydrophobicContact CG-CD1 3.69Å; E109-L112 HydrophobicContact CG-CG 4.43Å; E109-L112 VanDerWaalsContact O-CB 3.26Å; E109-L112 WeakPolarHBondContact O-CB 3.41Å; E109-L112 WeakPolarHBondContact O-CG 3.49Å; E109-L112 PolarHBondContact O-N 3.07Å; Q110-L112 PolarHBondContact O-N 2.78Å; L112-N114 PolarHBondContact O-N 3.19Å; L112-I115 HydrophobicContact CD2-CD1 3.84Å; L112-I115 PolarHBondContact O-N 3.25Å
113E93.6Very high84.7Confident105 Ų10579.2 Ų79.249%0.49142%0.421SS..G310 helixtrans-65.8-25.2176.982.7-173.7162.400112.7V15 Q110 L111 I115 K116V15-E113 HydrophobicContact CG2-CB 4.08Å; Q110-E113 WeakPolarHBondContact O-CG 3.26Å; Q110-E113 PolarHBondContact O-N 2.91Å; L111-E113 PolarHBondContact O-N 3.41Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-K116 WeakPolarHBondContact O-CE 3.44Å; E113-K116 PolarHBondContact O-NZ 3.37Å
114N91.9Very high82.4Confident87 Ų8782.6 Ų82.647%0.46544%0.441SS..G310 helixtrans-80.9-14178.6-64.9-39.8000112.7C103 L111 L112 K116C103-N114 HydrophobicContact CB-CB 4.22Å; L111-N114 WeakPolarHBondContact O-CB 3.14Å; L111-N114 PolarHBondContact O-N 3.02Å; L112-N114 PolarHBondContact O-N 3.19Å; N114-K116 PolarHBondContact O-N 2.96Å
115I94.1Very high80.3Confident1 Ų186.9 Ų86.91%0.00546%0.463CS..  trans-81.5100177.8-49-177.8000109L19 Y76 F78 C103 F104 L112 E113L19-I115 HydrophobicContact CD1-CB 3.61Å; L19-I115 HydrophobicContact CD1-CD1 4.34Å; L19-I115 HydrophobicContact CD1-CG1 4.47Å; L19-I115 HydrophobicContact CD1-CG2 3.75Å; L19-I115 HydrophobicContact CD2-CD1 4.27Å; L19-I115 HydrophobicContact CD2-CG2 4.05Å; Y76-I115 HydrophobicContact CD1-CG2 4.2Å; Y76-I115 HydrophobicContact CG-CG2 4.42Å; Y76-I115 WeakPolarHBondContact O-CG2 3.31Å; F78-I115 HydrophobicContact CE2-CG2 4.37Å; F78-I115 HydrophobicContact CZ-CD1 4.3Å; C103-I115 HydrophobicContact CB-CG1 3.89Å; F104-I115 HydrophobicContact CB-CD1 3.93Å; F104-I115 HydrophobicContact CD2-CD1 4.08Å; L112-I115 HydrophobicContact CD2-CD1 3.84Å; L112-I115 PolarHBondContact O-N 3.25Å; E113-I115 VanDerWaalsContact C-N 3.33Å
116K91.8Very high78.1Confident143 Ų14393.2 Ų93.262%0.62249%0.489SS*.  trans-92.9141.3178.3-55.4-50.3-173.5-1690111.3E113 N114 K118E113-K116 WeakPolarHBondContact O-CE 3.44Å; E113-K116 PolarHBondContact O-NZ 3.37Å; N114-K116 PolarHBondContact O-N 2.96Å; K116-K118 PolarHBondContact O-N 3.02Å
117R91.9Very high76.1Confident123 Ų12392.2 Ų92.246%0.46450%0.5SS..  trans-66.6127171.6-160.8-178.3-172.9-166.44.4109.1M75 Y76 V119M75-R117 HydrophobicContact CB-CG 4.26Å; M75-R117 HydrophobicContact CE-CG 4.48Å; M75-R117 CarbonylContact O-C 3.51Å; M75-R117 WeakPolarHBondContact O-CA 3.36Å; M75-R117 PolarHBondContact SD-NH2 3.25Å; Y76-R117 HydrophobicContact CD1-CB 4.05Å; Y76-R117 HydrophobicContact CD1-CG 4.36Å; Y76-R117 HydrophobicContact CE1-CB 3.55Å; Y76-R117 HydrophobicContact CE1-CG 3.88Å; R117-V119 PolarHBondContact O-N 3.17Å; R117-V119 VanDerWaalsContact O-N 3.14Å
118K88.7Confident74.1Confident118 Ų11897 Ų9751%0.51351%0.507SS..  trans-60.5114.4166.7-65.7178.4178.9174.10108.3M75 K116M75-K118 PolarHBondContact O-N 3.05Å; K116-K118 PolarHBondContact O-N 3.02Å
119V76.1Confident72.3Confident119 Ų11997 Ų9772%0.72151%0.509SS*.  trans-86115.5174.1-179.40000107.7R117 S121R117-V119 PolarHBondContact O-N 3.17Å; R117-V119 VanDerWaalsContact O-N 3.14Å; V119-S121 PolarHBondContact O-N 3.37Å
120T58.9Low70.7Confident117 Ų11797.1 Ų97.172%0.71851%0.511SS*.  trans-72.979.4168.8-42.50000108.6V122T120-V122 HydrophobicContact CG2-CG2 4.28Å; T120-V122 PolarHBondContact O-N 3.44Å
121S45.9Very low69.2Low47 Ų4797.8 Ų97.833%0.32951%0.513SS..  trans-78.780.6-173.354.60000112.1V119 S123V119-S121 PolarHBondContact O-N 3.37Å; S121-S123 PolarHBondContact O-N 3.25Å
122V54.2Low67.8Low130 Ų130100.3 Ų100.379%0.78853%0.525SS*.  trans-71.7-15.3179.3-175.20000112.9T120T120-V122 HydrophobicContact CG2-CG2 4.28Å; T120-V122 PolarHBondContact O-N 3.44Å
123S51.7Low66.8Low98 Ų98109.2 Ų109.269%0.68556%0.559SS**SBendtrans-104.2-14.5-165.849.80000117.3S121S121-S123 PolarHBondContact O-N 3.25Å
124T47.9Very low66Low107 Ų107110.2 Ų110.266%0.65656%0.563SS**SBendtrans-112.1-8-170.8470000116.2K126T124-K126 PolarHBondContact O-N 3.21Å
125L51.4Low65.5Low89 Ų89109.5 Ų109.547%0.46656%0.56SS.*  trans-81.238.9-174.3-51.3-172.7000114.8D129L125-D129 HydrophobicContact CB-CB 4.19Å; L125-D129 WeakPolarHBondContact CD2-OD2 3.33Å
126K50.8Low65Low171 Ų171111.5 Ų111.574%0.74357%0.574SS**SBendtrans-100.69-165.6-76.5-168175.3-178.10117.4T124T124-K126 PolarHBondContact O-N 3.21Å
127S52.6Low64.8Low98 Ų98108.2 Ų108.269%0.68557%0.566SS**SBendtrans-143.1-59.4175.3-163.60000112.9I130 K131S127-I130 PolarHBondContact O-N 3.04Å; S127-K131 PolarHBondContact O-N 3.14Å; S127-K131 VanDerWaalsContact O-N 3.14Å
128E50.8Low64.8Low161 Ų161105.9 Ų105.975%0.75257%0.565SS**Hα-helixtrans-70.4-48.5-173-130.9159.6138.200112.7I130 K131 I132E128-I130 VanDerWaalsContact C-N 3.3Å; E128-I130 PolarHBondContact O-N 3.07Å; E128-K131 PolarHBondContact O-N 3.4Å; E128-K131 VanDerWaalsContact O-N 3.16Å; E128-I132 WeakPolarHBondContact O-CG1 3.39Å; E128-I132 PolarHBondContact O-N 3.14Å
129D53.5Low64.9Low77 Ų77107.6 Ų107.641%0.41257%0.568SS.*Hα-helixtrans-62-35175.8-105.7-52.5000113.2L125 K131 I132 R133L125-D129 HydrophobicContact CB-CB 4.19Å; L125-D129 WeakPolarHBondContact CD2-OD2 3.33Å; D129-K131 VanDerWaalsContact C-N 3.35Å; D129-I132 PolarHBondContact O-N 3.16Å; D129-R133 WeakPolarHBondContact O-CB 3.44Å; D129-R133 PolarHBondContact O-N 3.34Å
130I59.8Low65.6Low92 Ų92107.1 Ų107.147%0.47256%0.561SS.*Hα-helixtrans-65.7-42.4176.7-59.4-177.2000109.7S127 E128 R133 Q134S127-I130 PolarHBondContact O-N 3.04Å; E128-I130 VanDerWaalsContact C-N 3.3Å; E128-I130 PolarHBondContact O-N 3.07Å; I130-R133 PolarHBondContact O-N 3.21Å; I130-Q134 WeakPolarHBondContact O-CB 3.39Å; I130-Q134 PolarHBondContact O-N 3.02Å
131K59.7Low67.2Low129 Ų129106.9 Ų106.956%0.56156%0.555SS**Hα-helixtrans-66.8-42.8177-166.7-178.3178-60.50111.8S127 E128 D129 R133 Q134 D135S127-K131 PolarHBondContact O-N 3.14Å; S127-K131 VanDerWaalsContact O-N 3.14Å; E128-K131 PolarHBondContact O-N 3.4Å; E128-K131 VanDerWaalsContact O-N 3.16Å; D129-K131 VanDerWaalsContact C-N 3.35Å; K131-R133 VanDerWaalsContact C-N 3.32Å; K131-R133 PolarHBondContact O-N 3.22Å; K131-Q134 WeakPolarHBondContact O-CB 3.39Å; K131-Q134 PolarHBondContact O-N 3.42Å; K131-D135 IonicContact NZ-OD1 3.13Å; K131-D135 IonicContact NZ-OD2 3.67Å; K131-D135 PolarHBondContact NZ-OD2 3.21Å; K131-D135 WeakPolarHBondContact O-CB 3.47Å; K131-D135 VanDerWaalsContact O-CG 3.27Å; K131-D135 PolarHBondContact O-N 3.21Å
132I65.1Low69.4Low93 Ų93108.8 Ų108.848%0.47757%0.565SS.*Hα-helixtrans-62.4-38.5175-66.4166.3000111.2E128 D129 S136E128-I132 WeakPolarHBondContact O-CG1 3.39Å; E128-I132 PolarHBondContact O-N 3.14Å; D129-I132 PolarHBondContact O-N 3.16Å; I132-S136 VanDerWaalsContact O-CB 3.24Å; I132-S136 WeakPolarHBondContact O-CB 3.36Å; I132-S136 PolarHBondContact O-N 2.6Å; I132-S136 PolarHBondContact O-OG 3.36Å
133R71.7Confident71.3Confident189 Ų189106.9 Ų106.971%0.71355%0.55SS*.Hα-helixtrans-63.4-46.4170.3-102.8178.962142.2-1.4112.3D129 I130 K131 S136 V137D129-R133 WeakPolarHBondContact O-CB 3.44Å; D129-R133 PolarHBondContact O-N 3.34Å; I130-R133 PolarHBondContact O-N 3.21Å; K131-R133 VanDerWaalsContact C-N 3.32Å; K131-R133 PolarHBondContact O-N 3.22Å; R133-S136 PolarHBondContact O-N 3.28Å; R133-V137 WeakPolarHBondContact O-CB 3.39Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 3.33Å
134Q78.4Confident73.3Confident125 Ų125106.1 Ų106.158%0.58454%0.541SS*.Hα-helixtrans-60.3-48.5-179.9-165.580.91800111.1I130 K131 S136 V137 T138I130-Q134 WeakPolarHBondContact O-CB 3.39Å; I130-Q134 PolarHBondContact O-N 3.02Å; K131-Q134 WeakPolarHBondContact O-CB 3.39Å; K131-Q134 PolarHBondContact O-N 3.42Å; Q134-S136 VanDerWaalsContact C-N 3.31Å; Q134-S136 PolarHBondContact O-N 3.47Å; Q134-V137 PolarHBondContact O-N 3.44Å; Q134-T138 WeakPolarHBondContact O-CB 3.44Å; Q134-T138 PolarHBondContact O-N 3.4Å; Q134-T138 PolarHBondContact O-OG1 3.25Å
135D79.8Confident75.4Confident72 Ų72107.1 Ų107.139%0.38554%0.538SS..Hα-helixtrans-64.9-36178.7-65.4-23.4000110.7K131 R139K131-D135 IonicContact NZ-OD1 3.13Å; K131-D135 IonicContact NZ-OD2 3.67Å; K131-D135 PolarHBondContact NZ-OD2 3.21Å; K131-D135 WeakPolarHBondContact O-CB 3.47Å; K131-D135 VanDerWaalsContact O-CG 3.27Å; K131-D135 PolarHBondContact O-N 3.21Å; D135-R139 WeakPolarHBondContact O-CG 3.29Å; D135-R139 PolarHBondContact O-N 3.21Å
136S84.3Confident77.5Confident43 Ų43107.7 Ų107.730%0.30154%0.541SS..Hα-helixtrans-73.2-39.5176.6-58.80000113.9I132 R133 Q134 T138 R139 L140I132-S136 VanDerWaalsContact O-CB 3.24Å; I132-S136 WeakPolarHBondContact O-CB 3.36Å; I132-S136 PolarHBondContact O-N 2.6Å; I132-S136 PolarHBondContact O-OG 3.36Å; R133-S136 PolarHBondContact O-N 3.28Å; Q134-S136 VanDerWaalsContact C-N 3.31Å; Q134-S136 PolarHBondContact O-N 3.47Å; S136-T138 VanDerWaalsContact C-N 3.31Å; S136-R139 PolarHBondContact O-N 2.71Å; S136-R139 PolarHBondContact OG-NH2 3.29Å; S136-L140 WeakPolarHBondContact O-CB 3.29Å; S136-L140 PolarHBondContact O-N 3.46Å
137V88.6Confident79.4Confident75 Ų75105.9 Ų105.946%0.45554%0.537SS..Hα-helixtrans-65.1-37.8172.8169.60000110.7R133 Q134 L140 L141R133-V137 WeakPolarHBondContact O-CB 3.39Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 3.33Å; Q134-V137 PolarHBondContact O-N 3.44Å; V137-L140 PolarHBondContact O-N 2.92Å; V137-L141 HydrophobicContact CG1-CD1 4Å; V137-L141 HydrophobicContact CG1-CG 4.4Å; V137-L141 WeakPolarHBondContact O-CB 3.45Å; V137-L141 VanDerWaalsContact O-CG 3.32Å; V137-L141 WeakPolarHBondContact O-CG 3.37Å; V137-L141 PolarHBondContact O-N 3.22Å
138T91.1Very high81.3Confident73 Ų73106.7 Ų106.745%0.44853%0.528SS..Hα-helixtrans-66.7-41.2177.5-53.50000111.8Q134 S136 T142Q134-T138 WeakPolarHBondContact O-CB 3.44Å; Q134-T138 PolarHBondContact O-N 3.4Å; Q134-T138 PolarHBondContact O-OG1 3.25Å; S136-T138 VanDerWaalsContact C-N 3.31Å; T138-T142 PolarHBondContact O-N 2.77Å; T138-T142 VanDerWaalsContact O-N 3.09Å; T138-T142 PolarHBondContact O-OG1 2.88Å
139R90.1Very high83.3Confident155 Ų155100.7 Ų100.759%0.58551%0.51SS*.Hα-helixtrans-60.6-50.5170.4-73.2-178.2-62.7-179.44.7111.4D135 S136 L141 T142 D143D135-R139 WeakPolarHBondContact O-CG 3.29Å; D135-R139 PolarHBondContact O-N 3.21Å; S136-R139 PolarHBondContact O-N 2.71Å; S136-R139 PolarHBondContact OG-NH2 3.29Å; R139-L141 VanDerWaalsContact C-N 3.32Å; R139-L141 PolarHBondContact O-N 2.88Å; R139-T142 CarbonylContact O-C 3.59Å; R139-T142 WeakPolarHBondContact O-CA 3.4Å; R139-T142 VanDerWaalsContact O-CB 3.3Å; R139-T142 WeakPolarHBondContact O-CB 3.42Å; R139-T142 PolarHBondContact O-N 3.29Å; R139-D143 PolarHBondContact O-N 3.01Å
140L91.9Very high85.2Confident108 Ų108103.3 Ų103.357%0.56552%0.518SS*.Hα-helixtrans-58.4-41.2179.7-176.364.7000112.6S136 V137 T142 D143 V144S136-L140 WeakPolarHBondContact O-CB 3.29Å; S136-L140 PolarHBondContact O-N 3.46Å; V137-L140 PolarHBondContact O-N 2.92Å; L140-T142 VanDerWaalsContact C-N 3.31Å; L140-T142 PolarHBondContact O-N 2.95Å; L140-D143 PolarHBondContact O-N 3.3Å; L140-V144 HydrophobicContact CD1-CG2 4.47Å; L140-V144 WeakPolarHBondContact O-CB 3.04Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.44Å; L140-V144 PolarHBondContact O-N 3.48Å
141L93Very high86.8Confident113 Ų113103.2 Ų103.259%0.59252%0.515SS*.Hα-helixtrans-64-36.4174.1-74.2169.3000112.2V137 R139 Q145V137-L141 HydrophobicContact CG1-CD1 4Å; V137-L141 HydrophobicContact CG1-CG 4.4Å; V137-L141 WeakPolarHBondContact O-CB 3.45Å; V137-L141 VanDerWaalsContact O-CG 3.32Å; V137-L141 WeakPolarHBondContact O-CG 3.37Å; V137-L141 PolarHBondContact O-N 3.22Å; R139-L141 VanDerWaalsContact C-N 3.32Å; R139-L141 PolarHBondContact O-N 2.88Å; L141-Q145 WeakPolarHBondContact O-CB 3.47Å; L141-Q145 PolarHBondContact O-N 3.08Å
142T92.1Very high88.5Confident87 Ų87102.2 Ų102.253%0.53451%0.513SS..Hα-helixtrans-68.2-43.4175.6-52.70000111.2T138 R139 L140 Q145 L146T138-T142 PolarHBondContact O-N 2.77Å; T138-T142 VanDerWaalsContact O-N 3.09Å; T138-T142 PolarHBondContact O-OG1 2.88Å; R139-T142 CarbonylContact O-C 3.59Å; R139-T142 WeakPolarHBondContact O-CA 3.4Å; R139-T142 VanDerWaalsContact O-CB 3.3Å; R139-T142 WeakPolarHBondContact O-CB 3.42Å; R139-T142 PolarHBondContact O-N 3.29Å; L140-T142 VanDerWaalsContact C-N 3.31Å; L140-T142 PolarHBondContact O-N 2.95Å; T142-Q145 PolarHBondContact O-N 2.86Å; T142-L146 WeakPolarHBondContact O-CB 3.5Å; T142-L146 PolarHBondContact O-N 3.39Å
143D93Very high89.9Confident89 Ų89102 Ų10248%0.47652%0.518SS..Hα-helixtrans-65.4-42.5177.2-65.2-30000111.3R139 L140 Q145 L146 M147R139-D143 PolarHBondContact O-N 3.01Å; L140-D143 PolarHBondContact O-N 3.3Å; D143-Q145 PolarHBondContact O-N 3.21Å; D143-L146 PolarHBondContact O-N 3.15Å; D143-M147 WeakPolarHBondContact O-CB 3.46Å; D143-M147 WeakPolarHBondContact O-CG 3.46Å; D143-M147 PolarHBondContact O-N 2.83Å
144V94.6Very high91.1Very high82 Ų8298.4 Ų98.450%0.49751%0.511SS..Hα-helixtrans-61.9-41.7173.6167.20000111.1L140 M147 K148L140-V144 HydrophobicContact CD1-CG2 4.47Å; L140-V144 WeakPolarHBondContact O-CB 3.04Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.44Å; L140-V144 PolarHBondContact O-N 3.48Å; V144-M147 PolarHBondContact O-N 3.17Å; V144-K148 WeakPolarHBondContact O-CB 3.42Å; V144-K148 PolarHBondContact O-N 2.77Å
145Q92.2Very high91.9Very high128 Ų12896.2 Ų96.260%0.59850%0.503SS*.Hα-helixtrans-67.1-39.1177.2-163.970.66.700112L141 T142 D143 K148 G149L141-Q145 WeakPolarHBondContact O-CB 3.47Å; L141-Q145 PolarHBondContact O-N 3.08Å; T142-Q145 PolarHBondContact O-N 2.86Å; D143-Q145 PolarHBondContact O-N 3.21Å; Q145-K148 PolarHBondContact O-N 3.41Å; Q145-G149 PolarHBondContact O-N 2.91Å
146L93.6Very high92.8Very high102 Ų10296.6 Ų96.653%0.53451%0.511SS..Hα-helixtrans-66.2-42.1173.6179.864.1000111.7T142 D143 K148 G149 K150T142-L146 WeakPolarHBondContact O-CB 3.5Å; T142-L146 PolarHBondContact O-N 3.39Å; D143-L146 PolarHBondContact O-N 3.15Å; L146-K148 VanDerWaalsContact C-N 3.33Å; L146-G149 PolarHBondContact O-N 3.35Å; L146-K150 WeakPolarHBondContact O-CG 3.47Å; L146-K150 PolarHBondContact O-N 3.04Å
147M92.1Very high93.4Very high133 Ų133101.6 Ų101.666%0.65553%0.528SS*.Hα-helixtrans-62.3-40.4173.9-80.3-155.568.300111.5D143 V144 K150 Q151D143-M147 WeakPolarHBondContact O-CB 3.46Å; D143-M147 WeakPolarHBondContact O-CG 3.46Å; D143-M147 PolarHBondContact O-N 2.83Å; V144-M147 PolarHBondContact O-N 3.17Å; M147-K150 PolarHBondContact O-N 3.35Å; M147-Q151 WeakPolarHBondContact O-CB 3.49Å; M147-Q151 PolarHBondContact O-N 3.4Å
148K92.6Very high93.8Very high114 Ų114103.4 Ų103.450%0.49653%0.534SS..Hα-helixtrans-60.8-45.9174.6-166.7-170.4-179.6-138.20111.6V144 Q145 L146 K150 Q151 E152V144-K148 WeakPolarHBondContact O-CB 3.42Å; V144-K148 PolarHBondContact O-N 2.77Å; Q145-K148 PolarHBondContact O-N 3.41Å; L146-K148 VanDerWaalsContact C-N 3.33Å; K148-K150 VanDerWaalsContact C-N 3.34Å; K148-K150 PolarHBondContact O-N 3.24Å; K148-Q151 WeakPolarHBondContact O-CB 3.43Å; K148-Q151 PolarHBondContact O-N 3.08Å; K148-E152 WeakPolarHBondContact CE-OE1 3.37Å; K148-E152 IonicContact NZ-OE1 3.27Å; K148-E152 PolarHBondContact NZ-OE1 2.92Å; K148-E152 WeakPolarHBondContact O-CG 3.48Å; K148-E152 PolarHBondContact O-N 2.94Å
149G92.3Very high94.1Very high36 Ų36104.3 Ų104.337%0.37154%0.536SS..Hα-helixtrans-62.9-37.6174.900000113.4Q145 L146 C153Q145-G149 PolarHBondContact O-N 2.91Å; L146-G149 PolarHBondContact O-N 3.35Å; G149-C153 WeakPolarHBondContact O-CB 3.28Å; G149-C153 PolarHBondContact O-N 3.09Å
150K93.6Very high94.4Very high132 Ų13299.2 Ų99.257%0.57453%0.527SS*.Hα-helixtrans-65.7-39.1172.2-75.4179.9176.7-1790112.3L146 M147 K148 C153 M154L146-K150 WeakPolarHBondContact O-CG 3.47Å; L146-K150 PolarHBondContact O-N 3.04Å; M147-K150 PolarHBondContact O-N 3.35Å; K148-K150 VanDerWaalsContact C-N 3.34Å; K148-K150 PolarHBondContact O-N 3.24Å; K150-C153 PolarHBondContact O-N 2.75Å; K150-M154 WeakPolarHBondContact O-CB 3.47Å; K150-M154 PolarHBondContact O-N 3.29Å
151Q93.3Very high94.7Very high90 Ų9099.1 Ų99.142%0.42153%0.525SS..Hα-helixtrans-63.5-51.3176.3-174.561.643.400110.6M147 K148 C153 M154 D155M147-Q151 WeakPolarHBondContact O-CB 3.49Å; M147-Q151 PolarHBondContact O-N 3.4Å; K148-Q151 WeakPolarHBondContact O-CB 3.43Å; K148-Q151 PolarHBondContact O-N 3.08Å; Q151-C153 VanDerWaalsContact C-N 3.26Å; Q151-C153 PolarHBondContact O-N 3.14Å; Q151-M154 WeakPolarHBondContact O-CB 3.33Å; Q151-M154 PolarHBondContact O-N 3.46Å; Q151-D155 VanDerWaalsContact NE2-CG 3.35Å; Q151-D155 PolarHBondContact NE2-OD1 2.97Å; Q151-D155 PolarHBondContact NE2-OD2 3.46Å; Q151-D155 WeakPolarHBondContact O-CB 3.5Å; Q151-D155 VanDerWaalsContact O-CG 3.26Å; Q151-D155 PolarHBondContact O-N 2.95Å
152E94.6Very high95Very high108 Ų108100.1 Ų100.151%0.50552%0.524SS..Hα-helixtrans-57.4-38.4176.7-70169.8-172.700111.9K148 S156K148-E152 WeakPolarHBondContact CE-OE1 3.37Å; K148-E152 IonicContact NZ-OE1 3.27Å; K148-E152 PolarHBondContact NZ-OE1 2.92Å; K148-E152 WeakPolarHBondContact O-CG 3.48Å; K148-E152 PolarHBondContact O-N 2.94Å; E152-S156 WeakPolarHBondContact O-CB 3.24Å; E152-S156 PolarHBondContact O-N 3.39Å; E152-S156 VanDerWaalsContact O-N 3.1Å
153C95.6Very high95.2Very high87 Ų87100.8 Ų100.859%0.58852%0.521SS*.Hα-helixtrans-66.4-42.8173.2-1780000112.9G149 K150 Q151 S156 K157G149-C153 WeakPolarHBondContact O-CB 3.28Å; G149-C153 PolarHBondContact O-N 3.09Å; K150-C153 PolarHBondContact O-N 2.75Å; Q151-C153 VanDerWaalsContact C-N 3.26Å; Q151-C153 PolarHBondContact O-N 3.14Å; C153-S156 PolarHBondContact O-N 3.34Å; C153-K157 PolarHBondContact O-N 3.23Å
154M96.3Very high95.4Very high114 Ų114102.6 Ų102.656%0.56253%0.527SS*.Hα-helixtrans-66.4-43.8178.8-165.9-175.2-45.200111.7K150 Q151 S156 K157 L158K150-M154 WeakPolarHBondContact O-CB 3.47Å; K150-M154 PolarHBondContact O-N 3.29Å; Q151-M154 WeakPolarHBondContact O-CB 3.33Å; Q151-M154 PolarHBondContact O-N 3.46Å; M154-S156 VanDerWaalsContact C-N 3.33Å; M154-S156 PolarHBondContact O-N 3.23Å; M154-K157 PolarHBondContact O-N 3.34Å; M154-L158 WeakPolarHBondContact O-CB 3.39Å; M154-L158 PolarHBondContact O-N 3.12Å
155D95.8Very high95.6Very high79 Ų79102.6 Ų102.642%0.42252%0.524SS..Hα-helixtrans-62.8-40.3177.3-66.9-28.6000111.1Q151 L158 L159Q151-D155 VanDerWaalsContact NE2-CG 3.35Å; Q151-D155 PolarHBondContact NE2-OD1 2.97Å; Q151-D155 PolarHBondContact NE2-OD2 3.46Å; Q151-D155 WeakPolarHBondContact O-CB 3.5Å; Q151-D155 VanDerWaalsContact O-CG 3.26Å; Q151-D155 PolarHBondContact O-N 2.95Å; D155-L158 PolarHBondContact O-N 3.21Å; D155-L159 WeakPolarHBondContact O-CB 3.34Å; D155-L159 PolarHBondContact O-N 2.92Å
156S97.8Very high95.8Very high80 Ų80100.9 Ų100.956%0.55952%0.516SS*.Hα-helixtrans-61.5-46.2172.8-175.90000112.3E152 C153 M154 L158 L159 A160E152-S156 WeakPolarHBondContact O-CB 3.24Å; E152-S156 PolarHBondContact O-N 3.39Å; E152-S156 VanDerWaalsContact O-N 3.1Å; C153-S156 PolarHBondContact O-N 3.34Å; M154-S156 VanDerWaalsContact C-N 3.33Å; M154-S156 PolarHBondContact O-N 3.23Å; S156-L158 PolarHBondContact O-N 3.26Å; S156-L159 PolarHBondContact O-N 3.25Å; S156-A160 PolarHBondContact O-N 2.98Å
157K97.1Very high96Very high149 Ų14997.4 Ų97.465%0.64850%0.502SS*.Hα-helixtrans-63.9-39.6176.3-174.4174.1-178.6176.60112.2C153 M154 A160 M161C153-K157 PolarHBondContact O-N 3.23Å; M154-K157 PolarHBondContact O-N 3.34Å; K157-A160 PolarHBondContact O-N 3.16Å; K157-M161 WeakPolarHBondContact O-CB 3.46Å; K157-M161 PolarHBondContact O-N 2.98Å
158L97.5Very high96.3Very high113 Ų11396 Ų9659%0.59250%0.497SS*.Hα-helixtrans-65.4-41.3176.7-174.1152.3000111.2M154 D155 S156 M161 K162M154-L158 WeakPolarHBondContact O-CB 3.39Å; M154-L158 PolarHBondContact O-N 3.12Å; D155-L158 PolarHBondContact O-N 3.21Å; S156-L158 PolarHBondContact O-N 3.26Å; L158-M161 PolarHBondContact O-N 3.11Å; L158-K162 WeakPolarHBondContact O-CB 3.41Å; L158-K162 PolarHBondContact O-N 3.08Å
159L97.1Very high96.6Very high91 Ų9198.4 Ų98.448%0.47650%0.503SS..Hα-helixtrans-65.4-43.8176-17562.8000112D155 S156 K162 H163D155-L159 WeakPolarHBondContact O-CB 3.34Å; D155-L159 PolarHBondContact O-N 2.92Å; S156-L159 PolarHBondContact O-N 3.25Å; L159-K162 WeakPolarHBondContact O-CB 3.3Å; L159-K162 PolarHBondContact O-N 3.21Å; L159-H163 PolarHBondContact O-CD2 2.74Å; L159-H163 PolarHBondContact O-N 2.93Å
160A97.6Very high96.8Very high48 Ų48103.5 Ų103.540%0.39751%0.511SS..Hα-helixtrans-59.2-50.6174.100000111.5S156 K157 K162 H163 E164S156-A160 PolarHBondContact O-N 2.98Å; K157-A160 PolarHBondContact O-N 3.16Å; A160-K162 VanDerWaalsContact C-N 3.27Å; A160-K162 PolarHBondContact O-N 3.08Å; A160-H163 PolarHBondContact O-N 2.95Å; A160-E164 PolarHBondContact O-N 2.72Å
161M97.9Very high97Very high106 Ų106102.9 Ų102.952%0.52251%0.51SS..Hα-helixtrans-59.5-36.3177-172.9-175.9-72.500112.4K157 L158 E164 N165K157-M161 WeakPolarHBondContact O-CB 3.46Å; K157-M161 PolarHBondContact O-N 2.98Å; L158-M161 PolarHBondContact O-N 3.11Å; M161-E164 PolarHBondContact O-N 3.3Å; M161-N165 VanDerWaalsContact O-CB 3.25Å; M161-N165 WeakPolarHBondContact O-CB 3.4Å; M161-N165 PolarHBondContact O-N 3.45Å
162K97.5Very high97.3Very high134 Ų134101.5 Ų101.558%0.58351%0.508SS*.Hα-helixtrans-63.1-43.8173.8-178.7-174.1175.1-173.80111.7L158 L159 A160 N165 E166L158-K162 WeakPolarHBondContact O-CB 3.41Å; L158-K162 PolarHBondContact O-N 3.08Å; L159-K162 WeakPolarHBondContact O-CB 3.3Å; L159-K162 PolarHBondContact O-N 3.21Å; A160-K162 VanDerWaalsContact C-N 3.27Å; A160-K162 PolarHBondContact O-N 3.08Å; K162-N165 PolarHBondContact O-N 3.16Å; K162-E166 WeakPolarHBondContact O-CB 3.26Å; K162-E166 PolarHBondContact O-N 3.28Å
163H97.9Very high97.4Very high101 Ų10199.1 Ų99.147%0.46851%0.506SS..Hα-helixtrans-67.8-38.4177.6-73.4-58.3000112.8L159 A160 E166 A167L159-H163 PolarHBondContact O-CD2 2.74Å; L159-H163 PolarHBondContact O-N 2.93Å; A160-H163 PolarHBondContact O-N 2.95Å; H163-E166 PolarHBondContact O-N 3.43Å; H163-A167 PolarHBondContact O-N 3.37Å
164E97.4Very high97.5Very high128 Ų12897 Ų9760%0.59849%0.492SS*.Hα-helixtrans-62-45.4171.8-71.1176177.200111.5A160 M161 E166 A167 L168A160-E164 PolarHBondContact O-N 2.72Å; M161-E164 PolarHBondContact O-N 3.3Å; E164-E166 PolarHBondContact O-N 3.01Å; E164-A167 WeakPolarHBondContact O-CB 3.41Å; E164-A167 PolarHBondContact O-N 2.93Å; E164-A167 VanDerWaalsContact O-N 3.14Å; E164-L168 WeakPolarHBondContact O-CG 3.32Å; E164-L168 PolarHBondContact O-N 3.14Å
165N98Very high97.6Very high81 Ų8196.7 Ų96.743%0.43349%0.492SS..Hα-helixtrans-60.8-45.9177.4-159.5-35.4000110.8M161 K162 A167 L168 W169M161-N165 VanDerWaalsContact O-CB 3.25Å; M161-N165 WeakPolarHBondContact O-CB 3.4Å; M161-N165 PolarHBondContact O-N 3.45Å; K162-N165 PolarHBondContact O-N 3.16Å; N165-A167 VanDerWaalsContact C-N 3.31Å; N165-A167 PolarHBondContact O-N 3.36Å; N165-L168 PolarHBondContact O-N 2.83Å; N165-W169 PolarHBondContact O-N 3.36Å; N165-W169 PolarHBondContact OD1-NE1 3.12Å
166E96.4Very high97.7Very high93 Ų93101.2 Ų101.244%0.43550%0.504SS..Hα-helixtrans-59.7-38174-163.2-148.8116.300112.8K162 H163 E164 W169 R170K162-E166 WeakPolarHBondContact O-CB 3.26Å; K162-E166 PolarHBondContact O-N 3.28Å; H163-E166 PolarHBondContact O-N 3.43Å; E164-E166 PolarHBondContact O-N 3.01Å; E166-W169 PolarHBondContact O-N 3.35Å; E166-R170 PolarHBondContact O-N 2.9Å; E166-R170 VanDerWaalsContact O-N 3.1Å; E166-R170 IonicContact OE1-CZ 2.93Å; E166-R170 IonicContact OE1-NE 3.63Å; E166-R170 PolarHBondContact OE1-NE 3.2Å; E166-R170 VanDerWaalsContact OE1-NE 3.13Å; E166-R170 IonicContact OE1-NH2 3.8Å; E166-R170 PolarHBondContact OE1-NH2 2.99Å
167A97.7Very high97.7Very high29 Ų29104.4 Ų104.424%0.2451%0.509CS..Hα-helixtrans-64.2-46.1173.700000112H163 E164 N165 W169 R170 E171H163-A167 PolarHBondContact O-N 3.37Å; E164-A167 WeakPolarHBondContact O-CB 3.41Å; E164-A167 PolarHBondContact O-N 2.93Å; E164-A167 VanDerWaalsContact O-N 3.14Å; N165-A167 VanDerWaalsContact C-N 3.31Å; N165-A167 PolarHBondContact O-N 3.36Å; A167-W169 VanDerWaalsContact C-N 3.34Å; A167-W169 PolarHBondContact O-N 2.98Å; A167-R170 WeakPolarHBondContact O-CB 3.48Å; A167-R170 PolarHBondContact O-N 2.86Å; A167-R170 VanDerWaalsContact O-N 3.15Å; A167-E171 PolarHBondContact O-N 3.13Å
168L98.4Very high97.7Very high103 Ų103103.1 Ų103.154%0.53950%0.504SS..Hα-helixtrans-60.4-40.4174.9-68.7170.9000111.9E164 N165 R170 E171 V172E164-L168 WeakPolarHBondContact O-CG 3.32Å; E164-L168 PolarHBondContact O-N 3.14Å; N165-L168 PolarHBondContact O-N 2.83Å; L168-R170 PolarHBondContact O-N 2.86Å; L168-E171 PolarHBondContact O-N 3.47Å; L168-V172 WeakPolarHBondContact O-CB 3.27Å; L168-V172 VanDerWaalsContact O-CG2 3.3Å; L168-V172 WeakPolarHBondContact O-CG2 3.39Å; L168-V172 PolarHBondContact O-N 3.44Å
169W98.2Very high97.7Very high164 Ų164103.3 Ų103.362%0.62150%0.501SS*.Hα-helixtrans-60.2-42.7173.5-79.7107.4000112.5N165 E166 A167 V172 A173N165-W169 PolarHBondContact O-N 3.36Å; N165-W169 PolarHBondContact OD1-NE1 3.12Å; E166-W169 PolarHBondContact O-N 3.35Å; A167-W169 VanDerWaalsContact C-N 3.34Å; A167-W169 PolarHBondContact O-N 2.98Å; W169-V172 PolarHBondContact O-N 2.91Å; W169-A173 WeakPolarHBondContact O-CB 3.45Å; W169-A173 PolarHBondContact O-N 2.74Å
170R98Very high97.7Very high143 Ų143101.2 Ų101.254%0.5450%0.497SS..Hα-helixtrans-63.6-40.3175.5-74.5-174-8896.4-5.1112E166 A167 L168 S174E166-R170 PolarHBondContact O-N 2.9Å; E166-R170 VanDerWaalsContact O-N 3.1Å; E166-R170 IonicContact OE1-CZ 2.93Å; E166-R170 IonicContact OE1-NE 3.63Å; E166-R170 PolarHBondContact OE1-NE 3.2Å; E166-R170 VanDerWaalsContact OE1-NE 3.13Å; E166-R170 IonicContact OE1-NH2 3.8Å; E166-R170 PolarHBondContact OE1-NH2 2.99Å; A167-R170 WeakPolarHBondContact O-CB 3.48Å; A167-R170 PolarHBondContact O-N 2.86Å; A167-R170 VanDerWaalsContact O-N 3.15Å; L168-R170 PolarHBondContact O-N 2.86Å; R170-S174 PolarHBondContact O-N 2.84Å
171E97.9Very high97.7Very high119 Ų119104.2 Ų104.256%0.55650%0.503SS*.Hα-helixtrans-66.5-47.2175.4-71.4-173-17700112.3A167 L168 A173 S174 L175A167-E171 PolarHBondContact O-N 3.13Å; L168-E171 PolarHBondContact O-N 3.47Å; E171-A173 VanDerWaalsContact C-N 3.31Å; E171-A173 PolarHBondContact O-N 3.29Å; E171-S174 WeakPolarHBondContact O-CB 3.28Å; E171-S174 PolarHBondContact O-N 3.09Å; E171-S174 VanDerWaalsContact O-N 3.1Å; E171-L175 WeakPolarHBondContact O-CD1 3.29Å; E171-L175 PolarHBondContact O-N 2.84Å
172V98.1Very high97.6Very high62 Ų62105.1 Ų105.138%0.37651%0.506SS..Hα-helixtrans-59.3-41.2176.4169.40000111.2L168 W169 L175 R176L168-V172 WeakPolarHBondContact O-CB 3.27Å; L168-V172 VanDerWaalsContact O-CG2 3.3Å; L168-V172 WeakPolarHBondContact O-CG2 3.39Å; L168-V172 PolarHBondContact O-N 3.44Å; W169-V172 PolarHBondContact O-N 2.91Å; V172-L175 PolarHBondContact O-N 3.04Å; V172-R176 HydrophobicContact CG1-CG 4.47Å; V172-R176 WeakPolarHBondContact O-CB 3.42Å; V172-R176 VanDerWaalsContact O-CG 3.29Å; V172-R176 WeakPolarHBondContact O-CG 3.38Å; V172-R176 PolarHBondContact O-N 2.86Å
173A97.4Very high97.5Very high58 Ų58102.7 Ų102.748%0.47950%0.497SS..Hα-helixtrans-61.8-45.1173.800000111.9W169 E171 R176 Q177W169-A173 WeakPolarHBondContact O-CB 3.45Å; W169-A173 PolarHBondContact O-N 2.74Å; E171-A173 VanDerWaalsContact C-N 3.31Å; E171-A173 PolarHBondContact O-N 3.29Å; A173-R176 PolarHBondContact O-N 3.32Å; A173-Q177 PolarHBondContact O-N 3.5Å
174S98.1Very high97.5Very high42 Ų42103.9 Ų103.929%0.29450%0.501SS..Hα-helixtrans-61.4-44.1175.7-1700000112.3R170 E171 Q177 K178R170-S174 PolarHBondContact O-N 2.84Å; E171-S174 WeakPolarHBondContact O-CB 3.28Å; E171-S174 PolarHBondContact O-N 3.09Å; E171-S174 VanDerWaalsContact O-N 3.1Å; S174-Q177 PolarHBondContact O-N 2.79Å; S174-K178 VanDerWaalsContact O-CG 3.29Å; S174-K178 WeakPolarHBondContact O-CG 3.37Å; S174-K178 PolarHBondContact O-N 2.84Å; S174-K178 WeakPolarHBondContact OG-CE 3.24Å; S174-K178 PolarHBondContact OG-NZ 3.3Å
175L98Very high97.4Very high107 Ų107101.3 Ų101.356%0.5649%0.493SS*.Hα-helixtrans-64.2-44.4177.2-95.465.8000111.4E171 V172 Q177 K178 H179E171-L175 WeakPolarHBondContact O-CD1 3.29Å; E171-L175 PolarHBondContact O-N 2.84Å; V172-L175 PolarHBondContact O-N 3.04Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-Q177 PolarHBondContact O-N 3.38Å; L175-K178 PolarHBondContact O-N 3.38Å; L175-H179 WeakPolarHBondContact O-CB 3.41Å; L175-H179 PolarHBondContact O-N 2.89Å
176R97.8Very high97.3Very high175 Ų175100.7 Ų100.766%0.6649%0.492SS*.Hα-helixtrans-60-41.4174.8-75.7175.7176.5-172.70111.9V172 A173 H179 A180V172-R176 HydrophobicContact CG1-CG 4.47Å; V172-R176 WeakPolarHBondContact O-CB 3.42Å; V172-R176 VanDerWaalsContact O-CG 3.29Å; V172-R176 WeakPolarHBondContact O-CG 3.38Å; V172-R176 PolarHBondContact O-N 2.86Å; A173-R176 PolarHBondContact O-N 3.32Å; R176-H179 PolarHBondContact O-N 3.48Å; R176-A180 WeakPolarHBondContact O-CB 3.38Å; R176-A180 PolarHBondContact O-N 2.94Å
177Q97.8Very high97.3Very high146 Ų14699.9 Ų99.968%0.68249%0.491SS*.Hα-helixtrans-64.2-45.6175.3-173.8-176.44.300112A173 S174 L175 A180 Q181A173-Q177 PolarHBondContact O-N 3.5Å; S174-Q177 PolarHBondContact O-N 2.79Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-Q177 PolarHBondContact O-N 3.38Å; Q177-A180 PolarHBondContact O-N 2.95Å; Q177-Q181 WeakPolarHBondContact O-CB 3.38Å; Q177-Q181 PolarHBondContact O-N 3.43Å
178K96.9Very high97.1Very high122 Ų122106.2 Ų106.253%0.5351%0.513SS..Hα-helixtrans-60.4-45.6176.2-71.9166.3-175.1168.60111.4S174 L175 Q181 Q182S174-K178 VanDerWaalsContact O-CG 3.29Å; S174-K178 WeakPolarHBondContact O-CG 3.37Å; S174-K178 PolarHBondContact O-N 2.84Å; S174-K178 WeakPolarHBondContact OG-CE 3.24Å; S174-K178 PolarHBondContact OG-NZ 3.3Å; L175-K178 PolarHBondContact O-N 3.38Å; K178-Q181 PolarHBondContact O-N 2.95Å; K178-Q182 WeakPolarHBondContact O-CG 3.46Å; K178-Q182 PolarHBondContact O-N 3.44Å
179H97.6Very high97Very high117 Ų117106 Ų10654%0.54251%0.512SS..Hα-helixtrans-61.1-46.7176.1-179.1-102.4000112L175 R176 Q181 Q182 Q183L175-H179 WeakPolarHBondContact O-CB 3.41Å; L175-H179 PolarHBondContact O-N 2.89Å; R176-H179 PolarHBondContact O-N 3.48Å; H179-Q181 VanDerWaalsContact C-N 3.26Å; H179-Q181 PolarHBondContact O-N 3.42Å; H179-Q182 PolarHBondContact O-N 3.35Å; H179-Q183 PolarHBondContact O-N 2.88Å
180A97Very high96.8Very high47 Ų47102.2 Ų102.239%0.38850%0.503SS..Hα-helixtrans-61.2-34.8175.800000112.6R176 Q177 K184R176-A180 WeakPolarHBondContact O-CB 3.38Å; R176-A180 PolarHBondContact O-N 2.94Å; Q177-A180 PolarHBondContact O-N 2.95Å; A180-K184 WeakPolarHBondContact O-CG 3.43Å; A180-K184 PolarHBondContact O-N 2.88Å; A180-K184 VanDerWaalsContact O-N 3.07Å
181Q97.3Very high96.5Very high112 Ų112101.4 Ų101.452%0.52351%0.506SS..Hα-helixtrans-71.2-41.3174.6-174.463.68.400112.2Q177 K178 H179 Q183 K184 V185Q177-Q181 WeakPolarHBondContact O-CB 3.38Å; Q177-Q181 PolarHBondContact O-N 3.43Å; K178-Q181 PolarHBondContact O-N 2.95Å; H179-Q181 VanDerWaalsContact C-N 3.26Å; H179-Q181 PolarHBondContact O-N 3.42Å; Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 2.73Å; Q181-K184 WeakPolarHBondContact O-CB 3.3Å; Q181-K184 PolarHBondContact O-N 3.19Å; Q181-V185 WeakPolarHBondContact O-CG2 3.48Å; Q181-V185 PolarHBondContact O-N 3.16Å
182Q96.4Very high96.4Very high124 Ų124101.6 Ų101.658%0.57951%0.505SS*.Hα-helixtrans-58.9-45171.6-74172.1-32.100110.9K178 H179 K184 V185 V186K178-Q182 WeakPolarHBondContact O-CG 3.46Å; K178-Q182 PolarHBondContact O-N 3.44Å; H179-Q182 PolarHBondContact O-N 3.35Å; Q182-K184 VanDerWaalsContact C-N 3.31Å; Q182-K184 PolarHBondContact O-N 3.35Å; Q182-V185 WeakPolarHBondContact O-CA 3.4Å; Q182-V185 WeakPolarHBondContact O-CB 3.32Å; Q182-V185 PolarHBondContact O-N 3.12Å; Q182-V186 WeakPolarHBondContact O-CG2 3.33Å; Q182-V186 PolarHBondContact O-N 3.28Å
183Q96.1Very high96.1Very high83 Ų83103.7 Ų103.739%0.38851%0.513SS..Hα-helixtrans-60.7-38.5176.2-167.262.844.900112.3H179 Q181 V185 V186 N187H179-Q183 PolarHBondContact O-N 2.88Å; Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 2.73Å; Q183-V185 VanDerWaalsContact C-N 3.35Å; Q183-V185 PolarHBondContact O-N 3.42Å; Q183-V186 PolarHBondContact O-N 3.13Å; Q183-N187 PolarHBondContact NE2-OD1 3.17Å; Q183-N187 VanDerWaalsContact O-CB 3.29Å; Q183-N187 WeakPolarHBondContact O-CB 3.39Å; Q183-N187 PolarHBondContact O-N 3.26Å; Q183-N187 PolarHBondContact O-OD1 2.89Å
184K96.6Very high95.9Very high127 Ų127104.2 Ų104.255%0.55251%0.507SS*.Hα-helixtrans-62.7-39.2172.6-73.6170.3-176.3175.30112.3A180 Q181 Q182 K188A180-K184 WeakPolarHBondContact O-CG 3.43Å; A180-K184 PolarHBondContact O-N 2.88Å; A180-K184 VanDerWaalsContact O-N 3.07Å; Q181-K184 WeakPolarHBondContact O-CB 3.3Å; Q181-K184 PolarHBondContact O-N 3.19Å; Q182-K184 VanDerWaalsContact C-N 3.31Å; Q182-K184 PolarHBondContact O-N 3.35Å; K184-K188 WeakPolarHBondContact O-CB 3.42Å; K184-K188 WeakPolarHBondContact O-CG 3.41Å; K184-K188 PolarHBondContact O-N 2.84Å
185V96.5Very high95.5Very high73 Ų73105.4 Ų105.444%0.44252%0.516SS..Hα-helixtrans-67.2-47.6175.6174.30000110.7Q181 Q182 Q183 N187 K188 L189Q181-V185 WeakPolarHBondContact O-CG2 3.48Å; Q181-V185 PolarHBondContact O-N 3.16Å; Q182-V185 WeakPolarHBondContact O-CA 3.4Å; Q182-V185 WeakPolarHBondContact O-CB 3.32Å; Q182-V185 PolarHBondContact O-N 3.12Å; Q183-V185 VanDerWaalsContact C-N 3.35Å; Q183-V185 PolarHBondContact O-N 3.42Å; V185-N187 PolarHBondContact O-N 3.15Å; V185-K188 WeakPolarHBondContact O-CB 3.4Å; V185-K188 PolarHBondContact O-N 3.43Å; V185-K188 VanDerWaalsContact O-N 3.15Å; V185-L189 HydrophobicContact CG1-CD1 4.19Å; V185-L189 HydrophobicContact CG1-CG 4.46Å; V185-L189 WeakPolarHBondContact O-CG 3.49Å; V185-L189 PolarHBondContact O-N 3.23Å
186V95.6Very high95Very high68 Ų68104 Ų10441%0.41251%0.508SS..Hα-helixtrans-57.7-47.2175.7171.30000111Q182 Q183 K188 L189 I190Q182-V186 WeakPolarHBondContact O-CG2 3.33Å; Q182-V186 PolarHBondContact O-N 3.28Å; Q183-V186 PolarHBondContact O-N 3.13Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.14Å; V186-L189 PolarHBondContact O-N 3.35Å; V186-L189 VanDerWaalsContact O-N 3.14Å; V186-I190 HydrophobicContact CG1-CD1 3.83Å; V186-I190 HydrophobicContact CG1-CG1 4.46Å; V186-I190 WeakPolarHBondContact O-CG1 3.42Å; V186-I190 PolarHBondContact O-N 2.79Å
187N95.2Very high94.3Very high77 Ų7799.4 Ų99.441%0.41250%0.5SS..Hα-helixtrans-61-40.1176.6-70.1-0.6000111.8Q183 V185 I190 Q191Q183-N187 PolarHBondContact NE2-OD1 3.17Å; Q183-N187 VanDerWaalsContact O-CB 3.29Å; Q183-N187 WeakPolarHBondContact O-CB 3.39Å; Q183-N187 PolarHBondContact O-N 3.26Å; Q183-N187 PolarHBondContact O-OD1 2.89Å; V185-N187 PolarHBondContact O-N 3.15Å; N187-I190 PolarHBondContact O-N 3.13Å; N187-Q191 VanDerWaalsContact O-CG 3.28Å; N187-Q191 WeakPolarHBondContact O-CG 3.37Å; N187-Q191 PolarHBondContact O-N 2.89Å
188K95.1Very high93.3Very high161 Ų16198.2 Ų98.270%0.749%0.494SS*.Hα-helixtrans-64.8-39.9173.7-78.8-176.4177.7-170.90112.6K184 V185 V186 Q191 F192K184-K188 WeakPolarHBondContact O-CB 3.42Å; K184-K188 WeakPolarHBondContact O-CG 3.41Å; K184-K188 PolarHBondContact O-N 2.84Å; V185-K188 WeakPolarHBondContact O-CB 3.4Å; V185-K188 PolarHBondContact O-N 3.43Å; V185-K188 VanDerWaalsContact O-N 3.15Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.14Å; K188-Q191 PolarHBondContact O-N 3.48Å; K188-F192 WeakPolarHBondContact O-CB 3.43Å; K188-F192 PolarHBondContact O-N 2.87Å
189L95.1Very high91.9Very high99 Ų9995 Ų9552%0.51849%0.487SS..Hα-helixtrans-64-44.6175-69.2172.9000110.9V185 V186 Q191 F192 L193V185-L189 HydrophobicContact CG1-CD1 4.19Å; V185-L189 HydrophobicContact CG1-CG 4.46Å; V185-L189 WeakPolarHBondContact O-CG 3.49Å; V185-L189 PolarHBondContact O-N 3.23Å; V186-L189 PolarHBondContact O-N 3.35Å; V186-L189 VanDerWaalsContact O-N 3.14Å; L189-Q191 PolarHBondContact O-N 2.9Å; L189-F192 WeakPolarHBondContact O-CB 3.35Å; L189-F192 PolarHBondContact O-N 3.5Å; L189-L193 WeakPolarHBondContact O-CD1 3.12Å; L189-L193 PolarHBondContact O-N 3.27Å
190I94.2Very high90Very high85 Ų8594.8 Ų94.844%0.43649%0.49SS..Hα-helixtrans-57.9-47.7174.6-68.8166.4000110.6V186 N187 F192 L193 I194V186-I190 HydrophobicContact CG1-CD1 3.83Å; V186-I190 HydrophobicContact CG1-CG1 4.46Å; V186-I190 WeakPolarHBondContact O-CG1 3.42Å; V186-I190 PolarHBondContact O-N 2.79Å; N187-I190 PolarHBondContact O-N 3.13Å; I190-F192 VanDerWaalsContact C-N 3.33Å; I190-F192 PolarHBondContact O-N 3.32Å; I190-L193 PolarHBondContact O-N 2.85Å; I190-I194 HydrophobicContact CG2-CD1 3.76Å; I190-I194 HydrophobicContact CG2-CG1 4.44Å; I190-I194 VanDerWaalsContact O-CG1 3.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.44Å; I190-I194 PolarHBondContact O-N 3.43Å
191Q92.1Very high88.2Confident125 Ų125102.3 Ų102.358%0.58451%0.508SS*.Hα-helixtrans-62.5-38.2176.7-69.6-66.1-13.300112.6N187 K188 L189 I194 S195N187-Q191 VanDerWaalsContact O-CG 3.28Å; N187-Q191 WeakPolarHBondContact O-CG 3.37Å; N187-Q191 PolarHBondContact O-N 2.89Å; K188-Q191 PolarHBondContact O-N 3.48Å; L189-Q191 PolarHBondContact O-N 2.9Å; Q191-I194 PolarHBondContact O-N 2.86Å; Q191-S195 WeakPolarHBondContact O-CB 3.34Å; Q191-S195 PolarHBondContact O-N 3.43Å
192F94.9Very high86.2Confident123 Ų123103.7 Ų103.754%0.53952%0.518SS..Hα-helixtrans-64.9-44.5174.2178.9-110.2000112.1K188 L189 I190 S195 L196K188-F192 WeakPolarHBondContact O-CB 3.43Å; K188-F192 PolarHBondContact O-N 2.87Å; L189-F192 WeakPolarHBondContact O-CB 3.35Å; L189-F192 PolarHBondContact O-N 3.5Å; I190-F192 VanDerWaalsContact C-N 3.33Å; I190-F192 PolarHBondContact O-N 3.32Å; F192-S195 PolarHBondContact O-N 3.44Å; F192-L196 HydrophobicContact CD1-CD1 3.97Å; F192-L196 HydrophobicContact CE1-CD1 3.43Å; F192-L196 VanDerWaalsContact CE1-CD1 3.43Å; F192-L196 HydrophobicContact CE1-CG 4.18Å; F192-L196 HydrophobicContact CE2-CD1 4.34Å; F192-L196 HydrophobicContact CE2-CD2 4.44Å; F192-L196 HydrophobicContact CE2-CG 4.26Å; F192-L196 HydrophobicContact CZ-CD1 3.65Å; F192-L196 HydrophobicContact CZ-CD2 4.27Å; F192-L196 HydrophobicContact CZ-CG 4.04Å; F192-L196 WeakPolarHBondContact O-CG 3.4Å; F192-L196 PolarHBondContact O-N 3.45Å
193L93.3Very high84.1Confident106 Ų106103.6 Ų103.656%0.55552%0.521SS*.Hα-helixtrans-61.9-43.2174.3-91.276.3000111.6L189 I190 S195 L196 V197L189-L193 WeakPolarHBondContact O-CD1 3.12Å; L189-L193 PolarHBondContact O-N 3.27Å; I190-L193 PolarHBondContact O-N 2.85Å; L193-S195 VanDerWaalsContact C-N 3.35Å; L193-S195 PolarHBondContact O-N 3.3Å; L193-L196 PolarHBondContact O-N 3.19Å; L193-V197 WeakPolarHBondContact O-CG2 3.39Å; L193-V197 PolarHBondContact O-N 2.72Å
194I91.8Very high82.3Confident69 Ų69103.4 Ų103.435%0.35454%0.541SS..Hα-helixtrans-59.4-46.5175.2-70.2166.4000110.4I190 Q191 V197 Q198I190-I194 HydrophobicContact CG2-CD1 3.76Å; I190-I194 HydrophobicContact CG2-CG1 4.44Å; I190-I194 VanDerWaalsContact O-CG1 3.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.44Å; I190-I194 PolarHBondContact O-N 3.43Å; Q191-I194 PolarHBondContact O-N 2.86Å; I194-V197 PolarHBondContact O-N 2.93Å; I194-Q198 HydrophobicContact CG2-CG 4.29Å; I194-Q198 WeakPolarHBondContact O-CB 3.46Å; I194-Q198 WeakPolarHBondContact O-CG 3.49Å; I194-Q198 PolarHBondContact O-N 3.41Å
195S89.9Confident80.2Confident68 Ų68102 Ų10248%0.47654%0.543SS..Hα-helixtrans-62.3-42.1177.3-176.20000112.7Q191 F192 L193 V197 Q198 S199Q191-S195 WeakPolarHBondContact O-CB 3.34Å; Q191-S195 PolarHBondContact O-N 3.43Å; F192-S195 PolarHBondContact O-N 3.44Å; L193-S195 VanDerWaalsContact C-N 3.35Å; L193-S195 PolarHBondContact O-N 3.3Å; S195-V197 PolarHBondContact O-N 2.9Å; S195-Q198 PolarHBondContact O-N 2.97Å; S195-S199 WeakPolarHBondContact O-CB 3.49Å; S195-S199 PolarHBondContact O-N 3.02Å; S195-S199 PolarHBondContact O-OG 2.84Å
196L87Confident78.2Confident76 Ų76107.5 Ų107.540%0.39856%0.561SS.*Hα-helixtrans-63.3-39.2173.3-74.5-179.8000112.5F192 L193 S199 N200F192-L196 HydrophobicContact CD1-CD1 3.97Å; F192-L196 HydrophobicContact CE1-CD1 3.43Å; F192-L196 VanDerWaalsContact CE1-CD1 3.43Å; F192-L196 HydrophobicContact CE1-CG 4.18Å; F192-L196 HydrophobicContact CE2-CD1 4.34Å; F192-L196 HydrophobicContact CE2-CD2 4.44Å; F192-L196 HydrophobicContact CE2-CG 4.26Å; F192-L196 HydrophobicContact CZ-CD1 3.65Å; F192-L196 HydrophobicContact CZ-CD2 4.27Å; F192-L196 HydrophobicContact CZ-CG 4.04Å; F192-L196 WeakPolarHBondContact O-CG 3.4Å; F192-L196 PolarHBondContact O-N 3.45Å; L193-L196 PolarHBondContact O-N 3.19Å; L196-S199 WeakPolarHBondContact CA-OG 3.39Å; L196-S199 PolarHBondContact O-OG 3.14Å; L196-S199 VanDerWaalsContact O-OG 3.13Å; L196-N200 WeakPolarHBondContact O-CB 3.29Å; L196-N200 PolarHBondContact O-N 3.44Å; L196-N200 VanDerWaalsContact O-N 3.15Å; L196-N200 PolarHBondContact O-ND2 3.38Å
197V84.3Confident76.4Confident80 Ų80114.4 Ų114.449%0.48558%0.58SS.*Hα-helixtrans-71.8-39.3177.7170.40000111.3L193 I194 S195 R201L193-V197 WeakPolarHBondContact O-CG2 3.39Å; L193-V197 PolarHBondContact O-N 2.72Å; I194-V197 PolarHBondContact O-N 2.93Å; S195-V197 PolarHBondContact O-N 2.9Å; V197-R201 WeakPolarHBondContact O-CG 3.47Å; V197-R201 PolarHBondContact O-N 3.43Å
198Q76.1Confident74.4Confident120 Ų120119.6 Ų119.656%0.56160%0.598SS**Hα-helixtrans-68.6-45.4177.5-73.5177.2-4.800111.8I194 S195 N200 R201I194-Q198 HydrophobicContact CG2-CG 4.29Å; I194-Q198 WeakPolarHBondContact O-CB 3.46Å; I194-Q198 WeakPolarHBondContact O-CG 3.49Å; I194-Q198 PolarHBondContact O-N 3.41Å; S195-Q198 PolarHBondContact O-N 2.97Å; Q198-N200 PolarHBondContact O-N 2.88Å; Q198-R201 WeakPolarHBondContact O-CB 3.37Å; Q198-R201 PolarHBondContact O-N 3.15Å; Q198-R201 VanDerWaalsContact O-N 3.09Å
199S67.1Low72.6Confident55 Ų55119 Ų11939%0.38560%0.601SS.*Hα-helixtrans-62.4-39.2176.552.50000112.8S195 L196 R201 I202S195-S199 WeakPolarHBondContact O-CB 3.49Å; S195-S199 PolarHBondContact O-N 3.02Å; S195-S199 PolarHBondContact O-OG 2.84Å; L196-S199 WeakPolarHBondContact CA-OG 3.39Å; L196-S199 PolarHBondContact O-OG 3.14Å; L196-S199 VanDerWaalsContact O-OG 3.13Å; S199-R201 VanDerWaalsContact C-N 3.27Å; S199-R201 PolarHBondContact O-N 2.84Å; S199-I202 PolarHBondContact O-N 3.49Å; S199-I202 VanDerWaalsContact O-N 3.14Å
200N59.1Low70.1Confident113 Ų113119.6 Ų119.660%0.60461%0.611SS**Hα-helixtrans-69.7-16.9174-80.2-67.6000114.3L196 Q198 I202L196-N200 WeakPolarHBondContact O-CB 3.29Å; L196-N200 PolarHBondContact O-N 3.44Å; L196-N200 VanDerWaalsContact O-N 3.15Å; L196-N200 PolarHBondContact O-ND2 3.38Å; Q198-N200 PolarHBondContact O-N 2.88Å; N200-I202 VanDerWaalsContact C-N 3.33Å
201R58.6Low68.1Low205 Ų205123.1 Ų123.177%0.77463%0.63SS**Hα-helixtrans-77.4-18.5170.5-73.2176.9-169.9-128.94.4113V197 Q198 S199V197-R201 WeakPolarHBondContact O-CG 3.47Å; V197-R201 PolarHBondContact O-N 3.43Å; Q198-R201 WeakPolarHBondContact O-CB 3.37Å; Q198-R201 PolarHBondContact O-N 3.15Å; Q198-R201 VanDerWaalsContact O-N 3.09Å; S199-R201 VanDerWaalsContact C-N 3.27Å; S199-R201 PolarHBondContact O-N 2.84Å
202I54.5Low66.1Low140 Ų140124.9 Ų124.972%0.71864%0.64SS**Hα-helixtrans-87.8-34.4-178-58.8169.3000111.1S199 N200S199-I202 PolarHBondContact O-N 3.49Å; S199-I202 VanDerWaalsContact O-N 3.14Å; N200-I202 VanDerWaalsContact C-N 3.33Å
203L53.4Low64.3Low123 Ų123126.5 Ų126.564%0.64465%0.654SS**  trans-98.488.7173.3-89.381.8000111.8V205L203-V205 HydrophobicContact CB-CG2 4.31Å; L203-V205 PolarHBondContact O-N 3.04Å
204G57.5Low61.8Low79 Ų79126.2 Ų126.281%0.81466%0.66SS**  trans-67.165.3169.800000113.8K206G204-K206 PolarHBondContact O-N 3.04Å; G204-K206 VanDerWaalsContact O-N 3.13Å
205V52.4Low59.5Low98 Ų98130.2 Ų130.259%0.59468%0.683SS**  trans-82.692.1175.8-176.50000109.8L203 R207L203-V205 HydrophobicContact CB-CG2 4.31Å; L203-V205 PolarHBondContact O-N 3.04Å; V205-R207 VanDerWaalsContact C-N 3.28Å; V205-R207 HydrophobicContact CG1-CG 4.17Å; V205-R207 PolarHBondContact O-N 3.36Å
206K55.8Low57.4Low187 Ų187132.6 Ų132.681%0.81370%0.699SS**  trans-64.579.6173.6-168.9173.9-172.3169.80110.9G204 K208G204-K206 PolarHBondContact O-N 3.04Å; G204-K206 VanDerWaalsContact O-N 3.13Å; K206-K208 VanDerWaalsContact C-N 3.34Å; K206-K208 PolarHBondContact O-N 3.23Å
207R58Low55.1Low214 Ų214137 Ų13781%0.80872%0.723SS**  trans-65.689174.8-66-168.9-173.4112.21.3110.3V205 I209V205-R207 VanDerWaalsContact C-N 3.28Å; V205-R207 HydrophobicContact CG1-CG 4.17Å; V205-R207 PolarHBondContact O-N 3.36Å; R207-I209 PolarHBondContact O-N 3.07Å
208K51.7Low53.2Low186 Ų186138.6 Ų138.681%0.80974%0.738SS**  trans-65.4108.3161.8-80.9-173.2171.9-174.20108.2K206 P210K206-K208 VanDerWaalsContact C-N 3.34Å; K206-K208 PolarHBondContact O-N 3.23Å; K208-P210 WeakPolarHBondContact O-CD 3.49Å
209I58.2Low51.6Low147 Ų147136.9 Ų136.975%0.75474%0.744SS**  trans-79.9122165.7-62.2164.2000106.9R207 L211R207-I209 PolarHBondContact O-N 3.07Å; I209-L211 PolarHBondContact O-N 2.86Å
210P42.7Very low50.5Low113 Ų113142.8 Ų142.873%0.73477%0.765SS**  trans-71.3113.9169-13.429.7000109K208 M212K208-P210 WeakPolarHBondContact O-CD 3.49Å; P210-M212 PolarHBondContact O-N 3.49Å; P210-M212 VanDerWaalsContact O-N 3.1Å
211L51Low49.6Very low159 Ų159142.4 Ų142.483%0.83277%0.771SS**  trans-71.198.2167.2-89.3153.7000108.7I209I209-L211 PolarHBondContact O-N 2.86Å
212M51.8Low49.2Very low161 Ų161139 Ų13979%0.79377%0.773SS**  trans-9098162.7-71.4-150.970.300109.2P210P210-M212 PolarHBondContact O-N 3.49Å; P210-M212 VanDerWaalsContact O-N 3.1Å
213L56.2Low48.9Very low158 Ų158137.4 Ų137.483%0.82777%0.772SS**  trans-75.8121.4156-67.8169.4000107.2
214S41.5Very low48.3Very low99 Ų99139.1 Ų139.169%0.69277%0.774SS**  trans-144.1108.8168.257.90000108.8
215D41.7Very low47.4Very low154 Ų154145.1 Ų145.182%0.82477%0.774SS**  trans-64.7134.4179.9-51.2-80.7000111.7
216S46.1Very low46.7Very low118 Ų118144.5 Ų144.583%0.82579%0.787SS**  trans-176.393147.1-84.60000112.9S218S216-S218 PolarHBondContact O-N 3.31Å
217N40.3Very low45.9Very low169 Ų169145.3 Ų145.390%0.90479%0.785SS**  trans21.296.3137.1-159.772.7000119.2
218S42.7Very low44.7Very low112 Ų112143.1 Ų143.178%0.78378%0.784SS**  trans-147.7123149.9-171.50000110S216S216-S218 PolarHBondContact O-N 3.31Å
219A43.7Very low43.8Very low84 Ų84143.1 Ų143.169%0.69478%0.78SS**  trans-90.1128.4-174.400000111.4
220H44.3Very low42.7Very low179 Ų179141.3 Ų141.383%0.82978%0.781SS**  trans-155.1124.4151.4-87.5-60.7000112.6
221S40.4Very low42.4Very low105 Ų105143.4 Ų143.473%0.73479%0.785SS**  trans32.7112.4153.557.20000121.7
222V49.5Very low41.5Very low133 Ų133144.7 Ų144.781%0.80679%0.787SS**  trans-36.9155.9139.7-71.10000113.3
223P47.2Very low40.6Very low107 Ų107145 Ų14570%0.69579%0.786SS**  -156.2151.650.643.2-20.8000123.1
224K40.6Very low39.6Very low160 Ų160143.2 Ų143.270%0.69678%0.781SS**  trans71.9127131.3-78.1174.5168.11750122
225Y39.8Very low39.2Very low205 Ų205147.2 Ų147.280%0.80479%0.789SS**  trans75.664.2154-47.8-45.8000118.8
226G37.6Very low38.9Very low85 Ų85143.3 Ų143.388%0.87679%0.785SS**  trans-104.5121.8136.300000109.9
227R37.9Very low38.9Very low204 Ų204143.9 Ų143.977%0.7779%0.786SS**  trans-135.6120.5160.7-160.9-174.1-124.8-108.2-0.4109.6Y229R227-Y229 PolarHBondContact NH1-OH 3.22Å
228Q33.8Very low38.4Very low168 Ų168139.4 Ų139.479%0.78578%0.779SS**  trans-67.8149.1169.8-65156.2-99.500111.2
229Y32.3Very low38.8Very low185 Ų185138.7 Ų138.773%0.72577%0.772SS**  trans-138.8109.4133.2-65.5-76.8000104.3R227R227-Y229 PolarHBondContact NH1-OH 3.22Å
230S35.7Very low38.5Very low110 Ų110144.4 Ų144.477%0.76978%0.777SS**  60.1100.160.1-158.80000111.4
231L36.9Very low38Very low157 Ų157141.1 Ų141.182%0.82277%0.774SS**  trans-101.5119.7176.3169.477.2000107.6
232E31.5Very low37.7Very low186 Ų186140.6 Ų140.687%0.86978%0.777SS**  trans-156152149.6-133.1177.9158.600112.3
233H34.1Very low37.5Very low166 Ų166140.2 Ų140.277%0.76978%0.777SS**  trans-83.7165175-76.330.2000111.2
234V33.6Very low37Very low121 Ų121140.4 Ų140.473%0.73378%0.781SS**  176.5128.3120.9146.80000112
235H34.2Very low37.4Very low183 Ų183138.6 Ų138.685%0.84779%0.785SS**  trans28.2138151.6-60.278.5000123.2
236G34Very low37.1Very low72 Ų72132.9 Ų132.974%0.74278%0.781SS**  trans142.9135.3142.100000115.9
237P46.7Very low36.9Very low131 Ų131139.8 Ų139.885%0.85178%0.782SS**  trans-111.9131.4-164.337.8-28.2000116.7
238G31.2Very low36.7Very low74 Ų74135.2 Ų135.276%0.76378%0.781SS**  trans36.4-160.3154.800000120.9
239P49.8Very low36.6Very low98 Ų98132.9 Ų132.964%0.63678%0.783SS**  cis-80.4-168.5-37.5-1.323.3000110.6
240Y38.4Very low36.6Very low203 Ų203129.4 Ų129.480%0.79679%0.786SS**  -164.2142.250.5-66.6-86.3000112.9
241S33.4Very low36.4Very low110 Ų110128.5 Ų128.577%0.76978%0.78SS**  trans29.5111.6141.1-53.60000123.3
242A34.2Very low36.2Very low95 Ų95127.5 Ų127.579%0.78577%0.774SS**  64.2168118.300000121.6
243P44.7Very low36.4Very low125 Ų125128.9 Ų128.981%0.81277%0.773SS**  cis-129.5173.1-30.432-14.1000114.2
244S36.6Very low36.1Very low111 Ų111126.4 Ų126.478%0.77677%0.774SS**  trans-73.4165.1164.8-46.70000113.3
245P48.5Very low36Very low122 Ų122125.7 Ų125.779%0.79278%0.775SS**  -131.3130.6122.134.7-25.2000111
246A33.4Very low35.7Very low85 Ų85124.9 Ų124.970%0.70278%0.777SS**  85.298.355.800000114.2
247Y34.6Very low35.6Very low230 Ų230125.2 Ų125.290%0.90277%0.773SS**  trans-158.4102.9151-115.4-89.5000104.9
248S33.9Very low35.1Very low107 Ų107125 Ų12575%0.74877%0.769SS**  75.584.968-63.60000114.8
249S30.8Very low35.3Very low120 Ų120127.9 Ų127.984%0.83977%0.771SS**  trans-168.4130.2134.658.10000113.8
250S32.7Very low34.4Very low111 Ų111128.2 Ų128.278%0.77678%0.776SS**  trans-31.9159.5152.9-75.30000116.4
251S30.9Very low34.1Very low92 Ų92124.3 Ų124.364%0.64378%0.779SS**  cis-167.9150.88.1-113.80000113.4
252L32.2Very low34.4Very low135 Ų135122 Ų12271%0.70777%0.772SS**  trans68.8117.8142.7-57.9171.8000122.7
253Y36Very low34.5Very low216 Ų216123.7 Ų123.785%0.84778%0.775SS**  trans69.6112.2149.8-59.8-59.9000122.8
254S28.4Very low34.3Very low113 Ų113125 Ų12579%0.7977%0.774SS**  trans-62.3165.5158.5-49.20000112.2
255S31.4Very low34.4Very low106 Ų106126.8 Ų126.874%0.74177%0.773SS**  cis-148.9149.425.7-58.50000112.2
256D28.3Very low33.9Very low166 Ų166125.7 Ų125.789%0.88877%0.768SS**  -171.7164.5106.9-123.7-20.6000114.8
257A31.9Very low34Very low80 Ų80128.4 Ų128.466%0.66177%0.771SS**  trans77.5112.714800000123.6
258V35.8Very low33.8Very low126 Ų126125.2 Ų125.276%0.76477%0.767SS**  104141.7110.3159.30000122.3
259T34.5Very low34.1Very low134 Ų134125.2 Ų125.282%0.82276%0.763SS**  trans75.3141.5173.662.50000118
260S31.8Very low34.3Very low106 Ų106128.2 Ų128.274%0.74176%0.764SS**  cis-158.8156.2-7.563.80000113.6
261S33.2Very low34.3Very low121 Ų121130.1 Ų130.185%0.84677%0.765SS**  trans75.1130.7140.6-154.30000121.9
262G37.9Very low34.6Very low61 Ų61130.6 Ų130.663%0.62977%0.774SS**  trans112.1121.214500000116.8
263P36.4Very low34.9Very low130 Ų130129.5 Ų129.584%0.84478%0.775SS**  trans-81124.1174.432.2-31.9000111.2
264I40.9Very low34.7Very low153 Ų153125.5 Ų125.579%0.78577%0.774SS**  trans-100110.6167-64.4177.4000108.3S266I264-S266 PolarHBondContact O-N 2.97Å
265I38.3Very low34.9Very low149 Ų149125.4 Ų125.476%0.76477%0.773SS**  trans-66.4123.7166.1-62.7168000107.1
266S38.3Very low35.6Very low98 Ų98126.4 Ų126.469%0.68578%0.777SS**  trans-111.6111.6170.7-60.30000108.2I264 I268I264-S266 PolarHBondContact O-N 2.97Å; S266-I268 PolarHBondContact O-N 3.19Å
267D35.7Very low35.7Very low143 Ų143126.4 Ų126.477%0.76578%0.776SS**  trans-67.1114.2180-64.3-53.7000110.7T269D267-T269 PolarHBondContact O-N 2.92Å; D267-T269 VanDerWaalsContact O-N 3.15Å
268I31.6Very low35.6Very low162 Ų162127 Ų12783%0.83178%0.78SS**  trans-81.694.9171.3-59179.1000107.9S266 E270S266-I268 PolarHBondContact O-N 3.19Å; I268-E270 PolarHBondContact O-N 3.38Å
269T38.7Very low35.3Very low108 Ų108126.5 Ų126.566%0.66378%0.783SS**  trans-76.6113.2165.3-550000108.6D267 L271D267-T269 PolarHBondContact O-N 2.92Å; D267-T269 VanDerWaalsContact O-N 3.15Å; T269-L271 HydrophobicContact CG2-CG 4.14Å; T269-L271 PolarHBondContact O-N 3.49Å
270E35.2Very low35.8Very low182 Ų182126.3 Ų126.385%0.8578%0.784SS**  trans-67.2118.2168.3-73.1-16715400110.3I268I268-E270 PolarHBondContact O-N 3.38Å
271L33.1Very low35.5Very low151 Ų151125 Ų12579%0.79179%0.787SS**  trans-131.8119164.4-70.7176.4000109.2T269T269-L271 HydrophobicContact CG2-CG 4.14Å; T269-L271 PolarHBondContact O-N 3.49Å
272A37.8Very low35.3Very low102 Ų102130.8 Ų130.884%0.84379%0.79SS**  trans-72.2152.8173.800000111.8
273P37.8Very low34.8Very low113 Ų113132.6 Ų132.673%0.73479%0.793SS**  trans-136.6122.8140.429.4-12.5000114.5
274T31.5Very low34.6Very low132 Ų132134.5 Ų134.581%0.8179%0.794SS**  trans21.8130.1135.258.10000121.4
275S32.4Very low34Very low111 Ų111134.1 Ų134.178%0.77679%0.794SS**  trans-59.7167.9163.5-38.50000114.4
276P46.4Very low33.7Very low126 Ų126135.6 Ų135.682%0.81880%0.798SS**  -146135.1100.435.9-19.8000117.9
277L30.8Very low33.5Very low166 Ų166141 Ų14187%0.86980%0.803SS**  trans21.2123133.6-158.975.7000121.9
278A29.6Very low33.3Very low92 Ų92140 Ų14076%0.7680%0.804SS**  165.2146.9111.100000114.2
279S29.6Very low33.2Very low116 Ų116139.3 Ų139.381%0.81180%0.802SS**  trans-101.5-161.2-170.7-33.40000111.9
280P44.3Very low32.7Very low130 Ų130139.4 Ų139.484%0.84481%0.807SS**  cis-145.8169.912.742.8-21.8000120.4
281G25.9Very low32.4Very low78 Ų78136.3 Ų136.380%0.80481%0.805SS**  trans110.4139.9151.100000116.7
282R28.6Very low32.1Very low243 Ų243134.8 Ų134.892%0.91781%0.808SS**  cis-162.5126-5.9177.1-179-178.8179.60.4110.9
283S26.9Very low31.6Very low99 Ų99136.1 Ų136.169%0.69281%0.805SS**  trans38.1126.5150.4-160.90000122.4
284I32.8Very low31.3Very low170 Ų170138.5 Ų138.587%0.87281%0.811SS**  -151149.4118.3-96.1154000108
285D28.8Very low31.3Very low146 Ų146139 Ų13978%0.78181%0.813SS**  trans-67144.2-174.2-86.9-62.4000115.2
286E31.8Very low31.2Very low179 Ų179144.8 Ų144.884%0.83682%0.818SS**  trans-164.4147.2134.5-110.3-69.489.700109.9
287R34Very low30.5Very low211 Ų211145.2 Ų145.280%0.79682%0.818SS**  trans-117.9117.6-164.3176-160.6-77.3155.4-7.1112.7
288P32.3Very low30.6Very low122 Ų122146.8 Ų146.879%0.79282%0.818SS**  trans-109.3134.3164.534.5-25.6000112.8
289L28.5Very low30.9Very low148 Ų148151.1 Ų151.178%0.77582%0.822SS**  trans-128.5126169-93168.5000111.2
290S28.9Very low31.4Very low110 Ų110154 Ų15477%0.76982%0.823SS**  trans52.5105.7146.3-57.30000120.5
291S28.4Very low31.2Very low117 Ų117153 Ų15382%0.81882%0.817SS**  -163122.6108.8510000111.6
292S26.6Very low32Very low120 Ų120155.3 Ų155.384%0.83982%0.817SS**  trans-107.3118.6167.2-177.70000107.6
293T26.9Very low32.2Very low129 Ų129149.2 Ų149.279%0.79181%0.812SS**  trans-115.4128176.8-58.40000109.9
294L32.8Very low33.1Very low163 Ų163150.4 Ų150.485%0.85382%0.817SS**  trans-70.1126.8-170.6-63.1154.6000112R296L294-R296 PolarHBondContact O-N 2.86Å
295V30.5Very low33.3Very low142 Ų142148.5 Ų148.586%0.86182%0.816SS**  trans-77.6103.6167177.80000109.1V297V295-V297 PolarHBondContact O-N 3.35Å
296R30.6Very low33.5Very low234 Ų234150.7 Ų150.788%0.88382%0.821SS**  trans-76.7106.6176-174.3176.9-178.5101.6-3.3110L294 K298L294-R296 PolarHBondContact O-N 2.86Å; R296-K298 PolarHBondContact O-N 3.43Å
297V32.9Very low33.6Very low134 Ų134147 Ų14781%0.81282%0.815SS**PPolyproline II helixtrans-58.3120.5170.5177.10000109.2V295V295-V297 PolarHBondContact O-N 3.35Å
298K31.2Very low33.7Very low200 Ų200142.8 Ų142.887%0.8782%0.815SS**PPolyproline II helixtrans-81.2124.4179.3-172.6171.8177.5178.30109.7R296R296-K298 PolarHBondContact O-N 3.43Å
299Q37.1Very low33.7Very low182 Ų182147.6 Ų147.685%0.8582%0.818SS**PPolyproline II helixtrans-74.1141.1-178.1-16517128.100111.3
300E38.7Very low33.7Very low178 Ų178147.4 Ų147.483%0.83282%0.822SS**PPolyproline II helixtrans-79.6137177.4-171.8-179.517000111
301P41.3Very low33.9Very low109 Ų109149 Ų14971%0.70882%0.821SS**PPolyproline II helixtrans-82.3146.3-179.832.7-34.1000112.7
302P41.8Very low33.9Very low125 Ų125151.7 Ų151.781%0.81282%0.821SS**PPolyproline II helixtrans-80.1152-177.532.9-35.8000113.6
303S33.6Very low33.8Very low116 Ų116150.9 Ų150.981%0.81182%0.821SS**PPolyproline II helixtrans-71.7147.7177.8-41.30000113.3
304P45.8Very low33.9Very low124 Ų124150 Ų15081%0.80582%0.82SS**PPolyproline II helixtrans-82.9157.3-179.533.5-35.5000114
305P37.8Very low34.4Very low129 Ų129148.6 Ų148.684%0.83882%0.821SS**PPolyproline II helixtrans-87.7169.1-178.435.8-36.3000114.8
306H32.2Very low34.1Very low192 Ų192145.4 Ų145.489%0.88982%0.817SS**PPolyproline II helixtrans-79133.5-173.6-76.5-80.8000116.6
307S33.5Very low34Very low103 Ų103143.5 Ų143.572%0.7281%0.81SS**  trans59.3147.9140.9-145.90000121.3R309S307-R309 PolarHBondContact OG-N 2.97Å
308P37.2Very low34.2Very low121 Ų121142.3 Ų142.379%0.78681%0.805SS**  -143.5132.491.135.8-19.2000117.8
309R31.9Very low34.1Very low224 Ų224137.1 Ų137.185%0.84579%0.794SS**  trans29.5123.3135.3-154.3-178.2-161-177.74.5122S307S307-R309 PolarHBondContact OG-N 2.97Å
310V28.5Very low33.6Very low143 Ų143133.5 Ų133.587%0.86779%0.789SS**  trans-138.5147151.3-175.30000110.7
311L33.1Very low33.3Very low143 Ų143132 Ų13275%0.74978%0.783SS**  trans-74.5174.1175.9-72.6144.2000111.9
312E28.4Very low32.7Very low175 Ų175133.2 Ų133.282%0.81878%0.784SS**  cis-175136.3-21.9168.2177.4-142.600106
313A24.9Very low32.4Very low103 Ų103132.6 Ų132.685%0.85178%0.778SS**  trans-172.2131.9154.200000111.1
314S28.3Very low32.8Very low110 Ų110133 Ų13377%0.76978%0.778SS**  trans-133.8164.8169.2-161.30000107.7
315P43.7Very low32.3Very low133 Ų133134.9 Ų134.986%0.86478%0.78SS**  -148.6155.186.736.5-18.6000115.9
316G24Very low32.6Very low76 Ų76132.7 Ų132.778%0.78477%0.768SS**  trans157.692.3162.900000115.5
317R27.3Very low33.1Very low193 Ų193129.2 Ų129.273%0.72876%0.763SS**  trans-139159.2170.1-144.1-155.8171.9-164.81.6108.4
318P38.1Very low33.5Very low110 Ų110128.9 Ų128.971%0.71476%0.757SS**  -147.4160.778.836.4-17.8000117.3
319S29.1Very low34.2Very low90 Ų90126.5 Ų126.563%0.62975%0.747SS**  trans59.9145154.456.30000120.3
320S26.6Very low35Very low107 Ų107123.4 Ų123.475%0.74874%0.74SS**  cis-146.8175.91.2-158.30000111.6
321M32.4Very low36.1Very low145 Ų145121.2 Ų121.271%0.71472%0.722SS**  trans-69.6171.2179.2-39.7-68.4-142.200112.1
322D29.4Very low36.7Very low135 Ų135119.9 Ų119.972%0.72272%0.716SS**  cis-162.6144.731-121.6-50.3000114.7
323T35Very low37.5Very low113 Ų113115.8 Ų115.869%0.69371%0.707SS**  trans47.6134.6140.8-55.90000122.8
324P40.9Very low38.8Very low125 Ų125116 Ų11681%0.81269%0.692SS**PPolyproline II helixtrans-80.4153.3-170.133.2-38000116.4
325L36Very low39.3Very low162 Ų162116.8 Ų116.885%0.84869%0.687SS**PPolyproline II helixtrans-85.1144.1-172.1-63.9172.9000114.9
326S43.8Very low39.3Very low84 Ų84121.1 Ų121.159%0.58769%0.686SS**PPolyproline II helixtrans-77.3158.9175.2-169.20000112.2T328S326-T328 PolarHBondContact O-N 3.39Å
327P43Very low40Very low119 Ų119126 Ų12677%0.77369%0.689SS**G310 helixtrans-62.8-2.6-171.9-25.836.5000117.9
328T42.3Very low40.7Very low96 Ų96121.2 Ų121.259%0.58969%0.685SS**G310 helixtrans-78.7-17.4-170.9-8.60000114.9S326 F330 I331S326-T328 PolarHBondContact O-N 3.39Å; T328-F330 VanDerWaalsContact C-N 3.27Å; T328-F330 PolarHBondContact O-N 2.91Å; T328-I331 PolarHBondContact O-N 3.27Å
329A51.6Low40.4Very low70 Ų70125.3 Ų125.358%0.57970%0.695SS**G310 helixtrans-68.3-20.1-174.500000114.7
330F49.5Very low40.9Very low159 Ų159126.2 Ų126.270%0.69770%0.698SS**G310 helixtrans-76.9-22.9-179.4-165.7-107.1000113.1T328 I334T328-F330 VanDerWaalsContact C-N 3.27Å; T328-F330 PolarHBondContact O-N 2.91Å; F330-I334 HydrophobicContact CD1-CD1 3.96Å; F330-I334 HydrophobicContact CE1-CD1 3.79Å
331I50.4Low41Very low98 Ų98127.5 Ų127.550%0.50370%0.702SS.*Hα-helixtrans-79.5-37.8-172.8-62.5171.8000111.4T328 S333 I334 L335T328-I331 PolarHBondContact O-N 3.27Å; I331-S333 VanDerWaalsContact C-N 3.27Å; I331-S333 PolarHBondContact O-N 3.37Å; I331-I334 PolarHBondContact O-N 2.93Å; I331-L335 HydrophobicContact CG2-CD1 4.39Å
332D45.3Very low41.4Very low115 Ų115126 Ų12662%0.61570%0.703SS**Hα-helixtrans-68.7-22.8179.7-90.61.9000113.7
333S45.3Very low41.4Very low89 Ų89124.3 Ų124.362%0.62271%0.708SS**Hα-helixtrans-77.2-25.4177.1-159.50000112.7I331I331-S333 VanDerWaalsContact C-N 3.27Å; I331-S333 PolarHBondContact O-N 3.37Å
334I51.9Low41.1Very low106 Ų106123.7 Ų123.754%0.54471%0.714SS.*Hα-helixtrans-81.8-31.1-179-63.2170.2000110.9F330 I331 R336F330-I334 HydrophobicContact CD1-CD1 3.96Å; F330-I334 HydrophobicContact CE1-CD1 3.79Å; I331-I334 PolarHBondContact O-N 2.93Å; I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 3.42Å
335L40.6Very low40.6Very low128 Ų128122.3 Ų122.367%0.6771%0.708SS**THydrogen-bonded Turntrans-79.90.6-178.9-72.2170.2000114.7I331I331-L335 HydrophobicContact CG2-CD1 4.39Å
336R43Very low40.3Very low223 Ų223121.7 Ų121.784%0.84271%0.705SS**THydrogen-bonded Turntrans-105.4-2.5179.4-76.8-169.8174165.92.9115.3I334I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 3.42Å
337E38.2Very low39.6Very low178 Ų178124.4 Ų124.483%0.83272%0.718SS**SBendtrans-98.421-174.2-145.3-179.9148.500113.8
338S43Very low39Very low93 Ų93122.9 Ų122.965%0.6572%0.716SS**  trans-143.770.9-172.759.90000115.4
339E31.1Very low39.2Very low196 Ų196123.8 Ų123.892%0.91672%0.723SS**  trans-152.3148148.1-85.1-146.9130.800111.3
340P39.4Very low38.3Very low109 Ų109128 Ų12871%0.70873%0.733SS**  trans-113.7159.7-174.939.7-32.4000117
341T29.6Very low37.2Very low134 Ų134125.7 Ų125.782%0.82273%0.728SS**  trans69162.6158.728.30000119.5
342P39.8Very low36.2Very low115 Ų115125.9 Ų125.975%0.74773%0.734SS**  cis-137164.6-9.536.3-16.9000118.2
343A28.6Very low35.6Very low99 Ų99126.8 Ų126.882%0.81874%0.743SS**  trans42.1150.9139.900000126.7
344A30.2Very low34.8Very low100 Ų100126 Ų12683%0.82675%0.75SS**  trans78.9142.6162.300000118.5
345S29.6Very low33.8Very low96 Ų96126.5 Ų126.567%0.67177%0.769SS**  cis-170.8152.1-8.6490000112.5
346N29.1Very low33.3Very low149 Ų149129.6 Ų129.680%0.79778%0.78SS**  trans67.6150.2160.7-53.8-16.4000117
347T30.5Very low32.6Very low141 Ų141123 Ų12387%0.86577%0.773SS**  cis-154.1153.118.1-24.60000111.2
348A30.7Very low32.5Very low87 Ų87120.3 Ų120.372%0.71977%0.771SS**  trans-101.4-169.3168.100000109.8
349P44.8Very low31.9Very low115 Ų115120.5 Ų120.575%0.74778%0.779SS**  cis-109.4-1572.441.2-25.7000111.9
350M33Very low31.8Very low158 Ų158119 Ų11978%0.77878%0.776SS**  cis-159.9176.49.2-137.6159.3127.200107.2
351D27.5Very low31.6Very low111 Ų111119.6 Ų119.659%0.59478%0.78SS**  cis-156.2-166.87.1-163.326000112.6
352T29.7Very low31.6Very low102 Ų102119.6 Ų119.663%0.62678%0.78SS**  trans-25.6153.8162.256.90000119.3
353T31.7Very low31.5Very low133 Ų133119.4 Ų119.482%0.81678%0.779SS**  cis-162.1148.318.4-11.70000113
354G28.1Very low31.4Very low73 Ų73120 Ų12075%0.75378%0.777SS**  trans84.2130.313200000123.2
355A32Very low31.4Very low116 Ų116121.4 Ų121.496%0.95978%0.775SS**  trans92.5136.2153.200000121.4
356Q28.8Very low31.8Very low193 Ų193122.5 Ų122.590%0.90278%0.78SS**  trans-140.3144.5-165.9161.9-1788.200107.2
357A29.6Very low31.9Very low84 Ų84124.3 Ų124.369%0.69478%0.784SS**  cis-141.4-154.11000000108.8
358P35.5Very low32Very low122 Ų122126.3 Ų126.379%0.79278%0.781SS**  cis-124.2170.70.741.4-25.2000115.5
359A30.5Very low32Very low97 Ų97128.7 Ų128.780%0.80279%0.79SS**  trans-87.1135.1179.400000113
360L29.6Very low31.8Very low164 Ų164131 Ų13186%0.85980%0.796SS**  trans-115.7156.6153.2-114.584000108.6
361P34.3Very low32.1Very low122 Ų122128.5 Ų128.579%0.79279%0.794SS**  trans-80146.4-163.231.6-35.6000114
362T30.6Very low32.9Very low135 Ų135130 Ų13083%0.82881%0.807SS**  trans-82.1160.6167.736.40000112
363P36.1Very low33.7Very low111 Ų111129.3 Ų129.372%0.72181%0.811SS**  trans-96.5175.3-16038.2-38000115.4
364S27.2Very low34.6Very low110 Ų110128.7 Ų128.777%0.76981%0.811SS**  trans65.8107.2155.2600000119.1
365T30.4Very low35.9Very low130 Ų130131.6 Ų131.680%0.79881%0.808SS**  trans-107.8141.6138.246.90000108.5E367T365-E367 PolarHBondContact O-N 3.47Å
366P37.7Very low37.6Very low120 Ų120130.4 Ų130.478%0.77979%0.786SS**  trans-83.1115.7177.931.1-31.3000110.2K368P366-K368 PolarHBondContact O-N 2.84Å
367E32Very low39.1Very low187 Ų187129.5 Ų129.587%0.87478%0.779SS**  trans-66.5120.7171.6-69-170.9145.300110.1T365T365-E367 PolarHBondContact O-N 3.47Å
368K32.4Very low40.9Very low182 Ų182130.5 Ų130.579%0.79177%0.773SS**  trans-78.1124.4171-67.8171.8179173.90107.6P366 L370P366-K368 PolarHBondContact O-N 2.84Å; K368-L370 PolarHBondContact O-N 3.43Å
369C30.4Very low42.9Very low137 Ų137130 Ų13093%0.92676%0.76SS**  trans-55.9109.2172.2-54.10000109.9
370L40Very low45.1Very low164 Ų164129.9 Ų129.986%0.85975%0.745SS**  trans-91.9128.8171.4-73.1176.4000109.5K368K368-L370 PolarHBondContact O-N 3.43Å
371S39.6Very low47.5Very low105 Ų105124.8 Ų124.873%0.73472%0.723SS**  trans-67.1150.7179.8-173.70000111.5A373S371-A373 PolarHBondContact O-N 3.43Å
372V45.4Very low49.7Very low143 Ų143124.1 Ų124.187%0.86771%0.713SS**THydrogen-bonded Turntrans-62.69.7-172.3177.70000114.8
373A45.4Very low52.5Low87 Ų87122.9 Ų122.972%0.71970%0.698SS**THydrogen-bonded Turntrans-85.3-10-172.200000115.6S371S371-A373 PolarHBondContact O-N 3.43Å
374C50.7Low54.7Low121 Ų121121.8 Ų121.882%0.81869%0.685SS**  trans-140.478.7-174.9-600000112.1
375L55.5Low57.4Low133 Ų133120.7 Ų120.770%0.69667%0.671SS**  trans-89.5140.8155.6-69.3177.6000108.4
376D67.3Low60Low91 Ų91116.7 Ų116.749%0.48765%0.651SS.*  trans-69147.1178.2-172.729000110.2N378 E379 L380D376-N378 PolarHBondContact O-N 3.46Å; D376-N378 VanDerWaalsContact O-N 3.12Å; D376-E379 HydrophobicContact CB-CG 4.25Å; D376-E379 PolarHBondContact N-OE2 2.9Å; D376-E379 PolarHBondContact O-N 3.26Å; D376-E379 VanDerWaalsContact O-N 3.16Å; D376-L380 PolarHBondContact O-N 3.37Å
377K61.8Low62.3Low175 Ų175114.9 Ų114.976%0.76163%0.633SS**Hα-helixtrans-62.9-25.3-175-166.5176.7177.8-175.80111.8S381K377-S381 PolarHBondContact O-N 2.93Å
378N66.3Low64.6Low104 Ų104110.6 Ų110.656%0.55662%0.616SS**Hα-helixtrans-74.8-44.4177.6-59.8-7.4000111.6D376 L380 S381 D382D376-N378 PolarHBondContact O-N 3.46Å; D376-N378 VanDerWaalsContact O-N 3.12Å; N378-L380 VanDerWaalsContact C-N 3.26Å; N378-L380 PolarHBondContact O-N 3.19Å; N378-S381 WeakPolarHBondContact O-CA 3.37Å; N378-S381 WeakPolarHBondContact O-CB 3.39Å; N378-S381 PolarHBondContact O-N 3.3Å; N378-D382 PolarHBondContact O-N 3.49Å
379E77.1Confident67.1Low112 Ų112105 Ų10552%0.52360%0.6SS.*Hα-helixtrans-61.3-34.6178.8-64.4178.4148.700112.3D376 H383D376-E379 HydrophobicContact CB-CG 4.25Å; D376-E379 PolarHBondContact N-OE2 2.9Å; D376-E379 PolarHBondContact O-N 3.26Å; D376-E379 VanDerWaalsContact O-N 3.16Å; E379-H383 WeakPolarHBondContact O-CB 3.3Å; E379-H383 PolarHBondContact O-N 3.48Å; E379-H383 VanDerWaalsContact O-N 3.13Å
380L76.3Confident69.8Low95 Ų95103.9 Ų103.950%0.49759%0.585SS.*Hα-helixtrans-71.3-34.2173.5-175.361.4000112.4D376 N378 L384D376-L380 PolarHBondContact O-N 3.37Å; N378-L380 VanDerWaalsContact C-N 3.26Å; N378-L380 PolarHBondContact O-N 3.19Å; L380-L384 HydrophobicContact CG-CD1 4.36Å; L380-L384 WeakPolarHBondContact O-CD1 3.32Å; L380-L384 VanDerWaalsContact O-CG 3.3Å; L380-L384 WeakPolarHBondContact O-CG 3.37Å; L380-L384 PolarHBondContact O-N 3.4Å; L380-L384 VanDerWaalsContact O-N 3.12Å
381S80.4Confident71.9Confident56 Ų56101 Ų10139%0.39257%0.569SS.*Hα-helixtrans-66.6-50.6174.9-160.20000110.8K377 N378 H383 L384 D385K377-S381 PolarHBondContact O-N 2.93Å; N378-S381 WeakPolarHBondContact O-CA 3.37Å; N378-S381 WeakPolarHBondContact O-CB 3.39Å; N378-S381 PolarHBondContact O-N 3.3Å; S381-H383 PolarHBondContact O-N 3.29Å; S381-L384 WeakPolarHBondContact O-CB 3.25Å; S381-L384 PolarHBondContact O-N 2.9Å; S381-D385 PolarHBondContact O-N 2.95Å
382D82.1Confident73.9Confident108 Ų108101 Ų10158%0.57856%0.561SS**Hα-helixtrans-58.5-34.1178.2-64.7-20.2000111.5N378 A386N378-D382 PolarHBondContact O-N 3.49Å; D382-A386 VanDerWaalsContact O-CB 3.26Å; D382-A386 WeakPolarHBondContact O-CB 3.37Å; D382-A386 PolarHBondContact O-N 3.39Å; D382-A386 VanDerWaalsContact O-N 3.08Å
383H88.5Confident75.4Confident110 Ų11099 Ų9951%0.50955%0.546SS..Hα-helixtrans-70.3-38.5174.6-172.248.4000113.3E379 S381 M387E379-H383 WeakPolarHBondContact O-CB 3.3Å; E379-H383 PolarHBondContact O-N 3.48Å; E379-H383 VanDerWaalsContact O-N 3.13Å; S381-H383 PolarHBondContact O-N 3.29Å; H383-M387 WeakPolarHBondContact O-CG 3.44Å; H383-M387 PolarHBondContact O-N 3.23Å; H383-M387 VanDerWaalsContact O-N 3.11Å
384L83.1Confident76.7Confident87 Ų8799.1 Ų99.146%0.45553%0.534SS..Hα-helixtrans-66.8-47.5175.4-71.7162.6000110.9L380 S381 A386 M387 D388L380-L384 HydrophobicContact CG-CD1 4.36Å; L380-L384 WeakPolarHBondContact O-CD1 3.32Å; L380-L384 VanDerWaalsContact O-CG 3.3Å; L380-L384 WeakPolarHBondContact O-CG 3.37Å; L380-L384 PolarHBondContact O-N 3.4Å; L380-L384 VanDerWaalsContact O-N 3.12Å; S381-L384 WeakPolarHBondContact O-CB 3.25Å; S381-L384 PolarHBondContact O-N 2.9Å; L384-A386 VanDerWaalsContact C-N 3.26Å; L384-A386 PolarHBondContact O-N 2.85Å; L384-M387 HydrophobicContact CD2-CE 3.72Å; L384-M387 HydrophobicContact CG-CE 4.47Å; L384-M387 WeakPolarHBondContact O-CA 3.39Å; L384-M387 WeakPolarHBondContact O-CB 3.37Å; L384-M387 PolarHBondContact O-N 3.03Å; L384-D388 PolarHBondContact O-N 2.83Å
385D82.5Confident77.8Confident88 Ų8899.1 Ų99.147%0.47152%0.522SS..Hα-helixtrans-61.6-34.1177.9-67.7-36.2000111.9S381 S389S381-D385 PolarHBondContact O-N 2.95Å; D385-S389 VanDerWaalsContact O-CB 3.28Å; D385-S389 WeakPolarHBondContact O-CB 3.36Å; D385-S389 PolarHBondContact O-N 3.48Å; D385-S389 PolarHBondContact O-OG 3.43Å
386A86.4Confident78.6Confident45 Ų4596.6 Ų96.637%0.37251%0.512SS..Hα-helixtrans-70.8-30.6172.700000113.5D382 L384 N390D382-A386 VanDerWaalsContact O-CB 3.26Å; D382-A386 WeakPolarHBondContact O-CB 3.37Å; D382-A386 PolarHBondContact O-N 3.39Å; D382-A386 VanDerWaalsContact O-N 3.08Å; L384-A386 VanDerWaalsContact C-N 3.26Å; L384-A386 PolarHBondContact O-N 2.85Å; A386-N390 WeakPolarHBondContact O-CB 3.47Å; A386-N390 PolarHBondContact O-N 3.07Å; A386-N390 PolarHBondContact O-ND2 3.47Å; A386-N390 VanDerWaalsContact O-ND2 3.08Å
387M84.4Confident78.6Confident82 Ų8297.4 Ų97.440%0.40451%0.514SS..Hα-helixtrans-72.7-45.8173.2-73.9-168.5-61.500111.4H383 L384 S389 N390 L391H383-M387 WeakPolarHBondContact O-CG 3.44Å; H383-M387 PolarHBondContact O-N 3.23Å; H383-M387 VanDerWaalsContact O-N 3.11Å; L384-M387 HydrophobicContact CD2-CE 3.72Å; L384-M387 HydrophobicContact CG-CE 4.47Å; L384-M387 WeakPolarHBondContact O-CA 3.39Å; L384-M387 WeakPolarHBondContact O-CB 3.37Å; L384-M387 PolarHBondContact O-N 3.03Å; M387-S389 VanDerWaalsContact C-N 3.34Å; M387-S389 PolarHBondContact O-N 3.47Å; M387-N390 WeakPolarHBondContact O-CB 3.49Å; M387-N390 PolarHBondContact O-N 3.46Å; M387-N390 VanDerWaalsContact O-N 3.08Å; M387-L391 WeakPolarHBondContact O-CG 3.39Å; M387-L391 PolarHBondContact O-N 3.1Å
388D81.6Confident78.9Confident97 Ų9793.8 Ų93.852%0.51950%0.503SS..Hα-helixtrans-62.5-42.5177.3-76.2-9.7000111.1L384 N390 L391 D392L384-D388 PolarHBondContact O-N 2.83Å; D388-N390 VanDerWaalsContact C-N 3.27Å; D388-N390 PolarHBondContact O-N 3.02Å; D388-L391 PolarHBondContact O-N 3.19Å; D388-L391 VanDerWaalsContact O-N 3.09Å; D388-D392 PolarHBondContact O-N 2.94Å
389S84.9Confident78.9Confident66 Ų6693.8 Ų93.846%0.46251%0.507SS..Hα-helixtrans-58.2-36.9172.4-61.90000112.9D385 M387 N393D385-S389 VanDerWaalsContact O-CB 3.28Å; D385-S389 WeakPolarHBondContact O-CB 3.36Å; D385-S389 PolarHBondContact O-N 3.48Å; D385-S389 PolarHBondContact O-OG 3.43Å; M387-S389 VanDerWaalsContact C-N 3.34Å; M387-S389 PolarHBondContact O-N 3.47Å; S389-N393 PolarHBondContact O-N 2.92Å; S389-N393 VanDerWaalsContact O-N 3.14Å; S389-N393 PolarHBondContact O-ND2 3.27Å
390N86.1Confident77.9Confident112 Ų11293.3 Ų93.360%0.59952%0.515SS*.Hα-helixtrans-72.9-34.1175.8-81.5-35.3000112.5A386 M387 D388 N393 L394A386-N390 WeakPolarHBondContact O-CB 3.47Å; A386-N390 PolarHBondContact O-N 3.07Å; A386-N390 PolarHBondContact O-ND2 3.47Å; A386-N390 VanDerWaalsContact O-ND2 3.08Å; M387-N390 WeakPolarHBondContact O-CB 3.49Å; M387-N390 PolarHBondContact O-N 3.46Å; M387-N390 VanDerWaalsContact O-N 3.08Å; D388-N390 VanDerWaalsContact C-N 3.27Å; D388-N390 PolarHBondContact O-N 3.02Å; N390-N393 PolarHBondContact O-N 3.05Å; N390-L394 WeakPolarHBondContact O-CB 3.35Å; N390-L394 PolarHBondContact O-N 2.91Å
391L85.2Confident76.7Confident103 Ų10394.8 Ų94.854%0.53952%0.519SS..Hα-helixtrans-68.1-42175.3-69.6173.6000111.6M387 D388 N393 L394 Q395M387-L391 WeakPolarHBondContact O-CG 3.39Å; M387-L391 PolarHBondContact O-N 3.1Å; D388-L391 PolarHBondContact O-N 3.19Å; D388-L391 VanDerWaalsContact O-N 3.09Å; L391-N393 VanDerWaalsContact C-N 3.35Å; L391-N393 PolarHBondContact O-N 2.81Å; L391-L394 WeakPolarHBondContact O-CB 3.39Å; L391-L394 PolarHBondContact O-N 3.45Å; L391-Q395 WeakPolarHBondContact O-CB 3.35Å; L391-Q395 PolarHBondContact O-N 3.25Å
392D80.6Confident75Confident105 Ų10595 Ų9556%0.56153%0.531SS*.Hα-helixtrans-63.5-38.5173.4-91.4-21.1000112.2D388 Q395 T396D388-D392 PolarHBondContact O-N 2.94Å; D392-Q395 PolarHBondContact O-N 3.33Å; D392-T396 WeakPolarHBondContact O-CB 3.48Å; D392-T396 WeakPolarHBondContact O-CG2 3.45Å; D392-T396 PolarHBondContact O-N 3.39Å; D392-T396 PolarHBondContact O-OG1 2.9Å
393N77.4Confident73.2Confident102 Ų10297.8 Ų97.855%0.54554%0.538SS..Hα-helixtrans-65.1-38172.5-81.9-66.3000112.2S389 N390 L391 T396 M397S389-N393 PolarHBondContact O-N 2.92Å; S389-N393 VanDerWaalsContact O-N 3.14Å; S389-N393 PolarHBondContact O-ND2 3.27Å; N390-N393 PolarHBondContact O-N 3.05Å; L391-N393 VanDerWaalsContact C-N 3.35Å; L391-N393 PolarHBondContact O-N 2.81Å; N393-T396 WeakPolarHBondContact CA-OG1 3.38Å; N393-T396 PolarHBondContact O-OG1 3.3Å; N393-T396 VanDerWaalsContact O-OG1 3.08Å; N393-M397 VanDerWaalsContact O-CB 3.29Å; N393-M397 WeakPolarHBondContact O-CB 3.05Å; N393-M397 PolarHBondContact O-N 2.99Å
394L72.8Confident71.1Confident89 Ų8997.1 Ų97.147%0.46655%0.546SS..Hα-helixtrans-66.7-43.1174.2-163.384.4000111.3N390 L391 M397 L398N390-L394 WeakPolarHBondContact O-CB 3.35Å; N390-L394 PolarHBondContact O-N 2.91Å; L391-L394 WeakPolarHBondContact O-CB 3.39Å; L391-L394 PolarHBondContact O-N 3.45Å; L394-M397 HydrophobicContact CD1-CE 3.93Å; L394-M397 PolarHBondContact O-N 2.79Å; L394-L398 HydrophobicContact CD2-CD1 4.28Å; L394-L398 HydrophobicContact CG-CD1 4.14Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.5Å; L394-L398 PolarHBondContact O-N 3.09Å
395Q73.6Confident69.4Low122 Ų12298.3 Ų98.357%0.5756%0.557SS**Hα-helixtrans-68.3-41-179.2-177.3167.8-30.900112.1L391 D392 L398 T399L391-Q395 WeakPolarHBondContact O-CB 3.35Å; L391-Q395 PolarHBondContact O-N 3.25Å; D392-Q395 PolarHBondContact O-N 3.33Å; Q395-L398 PolarHBondContact O-N 3.03Å; Q395-T399 WeakPolarHBondContact O-CB 3.48Å; Q395-T399 WeakPolarHBondContact O-CG2 3.47Å; Q395-T399 PolarHBondContact O-N 3.1Å; Q395-T399 PolarHBondContact O-OG1 2.95Å
396T72.1Confident67.8Low79 Ų7999.4 Ų99.449%0.48556%0.562SS.*Hα-helixtrans-65.9-37.8172.747.60000111.8D392 N393 T399 S400D392-T396 WeakPolarHBondContact O-CB 3.48Å; D392-T396 WeakPolarHBondContact O-CG2 3.45Å; D392-T396 PolarHBondContact O-N 3.39Å; D392-T396 PolarHBondContact O-OG1 2.9Å; N393-T396 WeakPolarHBondContact CA-OG1 3.38Å; N393-T396 PolarHBondContact O-OG1 3.3Å; N393-T396 VanDerWaalsContact O-OG1 3.08Å; T396-T399 WeakPolarHBondContact CA-OG1 3.29Å; T396-T399 PolarHBondContact O-OG1 3.46Å; T396-S400 WeakPolarHBondContact O-CB 3.34Å; T396-S400 PolarHBondContact O-N 3.07Å
397M68.4Low66.5Low109 Ų109101.5 Ų101.554%0.53757%0.571SS.*Hα-helixtrans-64.4-44.1173.6-174171.755.300112N393 L394 H401N393-M397 VanDerWaalsContact O-CB 3.29Å; N393-M397 WeakPolarHBondContact O-CB 3.05Å; N393-M397 PolarHBondContact O-N 2.99Å; L394-M397 HydrophobicContact CD1-CE 3.93Å; L394-M397 PolarHBondContact O-N 2.79Å; M397-H401 WeakPolarHBondContact O-CB 3.4Å; M397-H401 PolarHBondContact O-N 2.9Å
398L68.1Low65Low99 Ų99100.4 Ų100.452%0.51857%0.571SS.*Hα-helixtrans-69.9-30.9178.5-72.5168000113.9L394 Q395 F403L394-L398 HydrophobicContact CD2-CD1 4.28Å; L394-L398 HydrophobicContact CG-CD1 4.14Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.5Å; L394-L398 PolarHBondContact O-N 3.09Å; Q395-L398 PolarHBondContact O-N 3.03Å; L398-F403 HydrophobicContact CD2-CE2 4.27Å
399T66.3Low63.7Low104 Ų10498.7 Ų98.764%0.63857%0.571SS**Hα-helixtrans-85.3-30.1177.450.60000112.9Q395 T396Q395-T399 WeakPolarHBondContact O-CB 3.48Å; Q395-T399 WeakPolarHBondContact O-CG2 3.47Å; Q395-T399 PolarHBondContact O-N 3.1Å; Q395-T399 PolarHBondContact O-OG1 2.95Å; T396-T399 WeakPolarHBondContact CA-OG1 3.29Å; T396-T399 PolarHBondContact O-OG1 3.46Å
400S55Low62.2Low101 Ų101101 Ų10171%0.70658%0.577SS**Hα-helixtrans-78.5-39.1175.4-1740000112.5T396 G402T396-S400 WeakPolarHBondContact O-CB 3.34Å; T396-S400 PolarHBondContact O-N 3.07Å; S400-G402 PolarHBondContact O-N 3.14Å
401H51.3Low60.8Low126 Ų126101.2 Ų101.258%0.58358%0.578SS**  trans-87.880.4170.2-91.4-81.6000111.6M397 F403M397-H401 WeakPolarHBondContact O-CB 3.4Å; M397-H401 PolarHBondContact O-N 2.9Å; H401-F403 WeakPolarHBondContact O-CD2 3.39Å; H401-F403 PolarHBondContact O-N 2.86Å; H401-F403 VanDerWaalsContact O-N 3.07Å
402G45.3Very low59.2Low62 Ų62101.3 Ų101.364%0.63958%0.579SS**  trans-56.2113.1151.600000108.9S400 S404S400-G402 PolarHBondContact O-N 3.14Å; G402-S404 VanDerWaalsContact C-N 3.26Å; G402-S404 PolarHBondContact O-N 3.02Å
403F44.3Very low57.9Low165 Ų165101 Ų10172%0.72458%0.576SS**  trans-68.379-176.2-76.9-88.4000112L398 H401 V405L398-F403 HydrophobicContact CD2-CE2 4.27Å; H401-F403 WeakPolarHBondContact O-CD2 3.39Å; H401-F403 PolarHBondContact O-N 2.86Å; H401-F403 VanDerWaalsContact O-N 3.07Å; F403-V405 VanDerWaalsContact C-N 3.33Å; F403-V405 PolarHBondContact O-N 2.79Å
404S43.7Very low56.5Low97 Ų97103.1 Ų103.168%0.67858%0.583SS**  trans-7484.7165.2170.60000109.4G402 D406G402-S404 VanDerWaalsContact C-N 3.26Å; G402-S404 PolarHBondContact O-N 3.02Å; S404-D406 PolarHBondContact O-N 2.86Å; S404-D406 VanDerWaalsContact O-N 3.14Å
405V48.5Very low55.5Low111 Ų111106 Ų10667%0.67359%0.594SS**  trans-61.2114.6166.3177.50000108.2F403 T407F403-V405 VanDerWaalsContact C-N 3.33Å; F403-V405 PolarHBondContact O-N 2.79Å; V405-T407 PolarHBondContact O-N 3.19Å
406D48.1Very low54.2Low111 Ų111107.5 Ų107.559%0.59461%0.605SS**  trans-76.293179.2-168.4-4.7000110.1S404 S408S404-D406 PolarHBondContact O-N 2.86Å; S404-D406 VanDerWaalsContact O-N 3.14Å; D406-S408 PolarHBondContact O-N 2.83Å; D406-S408 VanDerWaalsContact O-N 3.16Å; D406-S408 WeakPolarHBondContact OD1-CB 3.48Å; D406-S408 PolarHBondContact OD1-N 2.94Å; D406-S408 PolarHBondContact OD1-OG 2.82Å; D406-S408 PolarHBondContact OD2-OG 3.1Å
407T58.3Low52.9Low90 Ų90110.3 Ų110.355%0.55262%0.616SS**THydrogen-bonded Turntrans-67.1-10.2-179.154.40000113.6V405 A409 L410 L411V405-T407 PolarHBondContact O-N 3.19Å; T407-A409 VanDerWaalsContact C-N 3.32Å; T407-A409 PolarHBondContact O-N 2.79Å; T407-L410 PolarHBondContact O-N 2.96Å; T407-L411 PolarHBondContact O-N 2.88Å
408S53.5Low51.8Low59 Ų59109.1 Ų109.141%0.41362%0.619SS.*Hα-helixtrans-63.4-36.4177.866.40000112.7D406 L410 L411 D412D406-S408 PolarHBondContact O-N 2.83Å; D406-S408 VanDerWaalsContact O-N 3.16Å; D406-S408 WeakPolarHBondContact OD1-CB 3.48Å; D406-S408 PolarHBondContact OD1-N 2.94Å; D406-S408 PolarHBondContact OD1-OG 2.82Å; D406-S408 PolarHBondContact OD2-OG 3.1Å; S408-L410 PolarHBondContact O-N 2.9Å; S408-L411 PolarHBondContact O-N 3.47Å; S408-D412 PolarHBondContact O-N 2.96Å
409A55Low50.4Low61 Ų61110.4 Ų110.450%0.50463%0.633SS.*Hα-helixtrans-64.8-25.8177.200000113.6T407 I413T407-A409 VanDerWaalsContact C-N 3.32Å; T407-A409 PolarHBondContact O-N 2.79Å; A409-I413 WeakPolarHBondContact O-CD1 3.44Å; A409-I413 WeakPolarHBondContact O-CG1 3.42Å
410L52Low49.1Very low114 Ų114114.5 Ų114.560%0.59765%0.645SS**Hα-helixtrans-81.6-32.3175.9-94.8163.8000112.5T407 S408 I413 Q414T407-L410 PolarHBondContact O-N 2.96Å; S408-L410 PolarHBondContact O-N 2.9Å; L410-I413 PolarHBondContact O-N 3.15Å; L410-Q414 PolarHBondContact O-N 3.14Å
411L58.2Low48.4Very low116 Ų116118.2 Ų118.261%0.60765%0.651SS**Hα-helixtrans-70.4-40.4179-67.4172.5000111.9T407 S408 I413 Q414 E415T407-L411 PolarHBondContact O-N 2.88Å; S408-L411 PolarHBondContact O-N 3.47Å; L411-I413 VanDerWaalsContact C-N 3.28Å; L411-I413 PolarHBondContact O-N 2.96Å; L411-Q414 PolarHBondContact O-N 3.07Å; L411-E415 PolarHBondContact O-N 3.13Å
412D50.9Low47.7Very low106 Ų106117.8 Ų117.857%0.56766%0.66SS**Hα-helixtrans-61.4-35.4175.3-78.50.9000112.1S408 L416S408-D412 PolarHBondContact O-N 2.96Å; D412-L416 WeakPolarHBondContact O-CG 3.47Å; D412-L416 PolarHBondContact O-N 3.32Å
413I52.3Low47.4Very low99 Ų99120.9 Ų120.951%0.50867%0.668SS.*Hα-helixtrans-69.7-37.8176.5-66.6170000111A409 L410 L411 L416 L417A409-I413 WeakPolarHBondContact O-CD1 3.44Å; A409-I413 WeakPolarHBondContact O-CG1 3.42Å; L410-I413 PolarHBondContact O-N 3.15Å; L411-I413 VanDerWaalsContact C-N 3.28Å; L411-I413 PolarHBondContact O-N 2.96Å; I413-L416 PolarHBondContact O-N 2.96Å; I413-L417 HydrophobicContact CG2-CD1 4.15Å; I413-L417 PolarHBondContact O-N 3.33Å
414Q48.8Very low46.9Very low146 Ų146124.3 Ų124.368%0.68268%0.676SS**Hα-helixtrans-75.2-27.4-179.5-166.8152.6-21.600112.8L410 L411L410-Q414 PolarHBondContact O-N 3.14Å; L411-Q414 PolarHBondContact O-N 3.07Å
415E51.3Low46.5Very low150 Ų150125.8 Ų125.870%0.70168%0.683SS**Hα-helixtrans-69.5-34.4171.5-164.7169.8-162.300111.9L411 L417L411-E415 PolarHBondContact O-N 3.13Å; E415-L417 VanDerWaalsContact C-N 3.32Å; E415-L417 PolarHBondContact O-N 3.27Å
416L46.3Very low45.9Very low153 Ų153128.4 Ų128.480%0.80169%0.692SS**Hα-helixtrans-72.7-17.4176.8-73.2171.1000114.9D412 I413D412-L416 WeakPolarHBondContact O-CG 3.47Å; D412-L416 PolarHBondContact O-N 3.32Å; I413-L416 PolarHBondContact O-N 2.96Å
417L46.3Very low45.5Very low137 Ų137132.2 Ų132.272%0.71771%0.706SS**THydrogen-bonded Turntrans-97.20.9-179.2-74.3165.9000113.7I413 E415I413-L417 HydrophobicContact CG2-CD1 4.15Å; I413-L417 PolarHBondContact O-N 3.33Å; E415-L417 VanDerWaalsContact C-N 3.32Å; E415-L417 PolarHBondContact O-N 3.27Å
418S44.6Very low44.3Very low84 Ų84132.9 Ų132.959%0.58772%0.721SS**SBendtrans-83.4123.3-179.7-1610000111.4Q420S418-Q420 PolarHBondContact O-N 3.28Å
419P39.1Very low43.3Very low126 Ų126138.4 Ų138.482%0.81874%0.74SS**PPolyproline II helixtrans-65.3120.6-179.2-20.732.7000112.1
420Q38.4Very low42.2Very low190 Ų190141.6 Ų141.689%0.88875%0.749SS**PPolyproline II helixtrans-97117.3177.6-167.6171.38900110.2S418S418-Q420 PolarHBondContact O-N 3.28Å
421E39.8Very low41.2Very low180 Ų180142.1 Ų142.184%0.84176%0.762SS**PPolyproline II helixtrans-65.5142.2173.4-81.2-170.4118.600111.7
422P36.7Very low40.2Very low117 Ų117144.5 Ų144.576%0.7678%0.776SS**PPolyproline II helixtrans-78.5141.3179.331.6-34.4000112.3
423P39.6Very low40.3Very low126 Ų126144.9 Ų144.982%0.81878%0.784SS**PPolyproline II helixtrans-75.8144.8176.231.1-34.2000112.2
424R33.8Very low39.3Very low238 Ų238147.6 Ų147.690%0.89880%0.799SS**PPolyproline II helixtrans-72.5138.8174-76.2179.6-88.7165-7.9111.4
425P35.1Very low38.7Very low127 Ų127145.7 Ų145.783%0.82580%0.802SS**PPolyproline II helixtrans-78.2152.2177.732.1-34.4000112.5
426I36.2Very low38.1Very low167 Ų167142.2 Ų142.286%0.85681%0.806SS**PPolyproline II helixtrans-101.5138.7172.1-66170.9000108.4
427E39.5Very low38.1Very low190 Ų190144.8 Ų144.889%0.88881%0.811SS**PPolyproline II helixtrans-76.9135.5179-58.9176.3151.100112.3
428A32.2Very low37.9Very low105 Ų105147.5 Ų147.587%0.86882%0.82SS**  trans-161.5145.4155.200000110.4
429E33.8Very low37.5Very low174 Ų174151.2 Ų151.281%0.81383%0.832SS**  trans-90.3162.7-165.8-70.8-160.7113.700117.3
430N31.5Very low37.6Very low129 Ų129150.2 Ų150.269%0.6982%0.824SS**  trans63.5106.4141.4-73.6-37.7000120.7
431S31Very low37.4Very low125 Ų125149 Ų14987%0.87482%0.818SS**  -175.9153.8100.1490000114.1
432N36.4Very low37.1Very low166 Ų166150.6 Ų150.689%0.88882%0.818SS**  trans-53.1172.6-165.6-104.9-0.8000120.4
433P53.6Low37.2Very low113 Ų113150.3 Ų150.373%0.73481%0.814SS**  trans-101.6167.2-156.540.9-38.4000115.5
434D31Very low37.1Very low157 Ų157149.1 Ų149.184%0.8481%0.814SS**  178.5168.5122.5-17028.5000111.9
435S36.4Very low37.4Very low106 Ų106145.8 Ų145.874%0.74181%0.809SS**  trans92.787.1170.875.50000116.4
436G39Very low37.6Very low76 Ų76144.9 Ų144.978%0.78480%0.803SS**  trans-72.8146.7-179.700000114.6
437K45.8Very low37.6Very low208 Ų208145.3 Ų145.390%0.90481%0.806SS**  trans-133.9119.1154.3-68.3-173.6-178.6174.60108.6L439K437-L439 PolarHBondContact O-N 2.97Å
438Q41.3Very low37.5Very low194 Ų194145 Ų14591%0.90780%0.803SS**  trans-73107.8-173.3-172.4175.15.600110.1
439L37.8Very low37.6Very low161 Ų161148.2 Ų148.284%0.84380%0.804SS**  trans-85.6113.1175.9-170.564.8000109.5K437 H441K437-L439 PolarHBondContact O-N 2.97Å; L439-H441 PolarHBondContact O-N 3.44Å
440V41.3Very low37.7Very low106 Ų106147.6 Ų147.664%0.64281%0.805SS**  trans-70.3111.9178.3178.30000109.3Y442V440-Y442 HydrophobicContact CG1-CD2 3.98Å; V440-Y442 HydrophobicContact CG1-CE2 3.97Å; V440-Y442 PolarHBondContact O-N 3.1Å; V440-Y442 VanDerWaalsContact O-N 3.12Å
441H34.1Very low37.7Very low163 Ų163149 Ų14976%0.75581%0.813SS**  trans-79.292.4-179.1-146.5-86.6000110.2L439 T443L439-H441 PolarHBondContact O-N 3.44Å; H441-T443 PolarHBondContact O-N 3.27Å; H441-T443 VanDerWaalsContact O-N 3.16Å
442Y33.3Very low38.2Very low215 Ų215148.3 Ų148.384%0.84381%0.806SS**  trans-72.5103.2171.3-94.7-89.7000110V440 A444V440-Y442 HydrophobicContact CG1-CD2 3.98Å; V440-Y442 HydrophobicContact CG1-CE2 3.97Å; V440-Y442 PolarHBondContact O-N 3.1Å; V440-Y442 VanDerWaalsContact O-N 3.12Å; Y442-A444 PolarHBondContact O-N 3.48Å
443T38.3Very low37.9Very low110 Ų110148.1 Ų148.168%0.67581%0.805SS**  trans-83.299.4170.956.60000109.7H441 Q445H441-T443 PolarHBondContact O-N 3.27Å; H441-T443 VanDerWaalsContact O-N 3.16Å; T443-Q445 PolarHBondContact O-N 3.49Å
444A38.8Very low36.8Very low101 Ų101147.6 Ų147.684%0.83581%0.81SS**  trans-74.1105.9168.100000109.3Y442Y442-A444 PolarHBondContact O-N 3.48Å
445Q38.7Very low37.3Very low168 Ų168146.4 Ų146.479%0.78581%0.808SS**  trans-74.7138.7167.4-72175.3-3200109.3T443 L447T443-Q445 PolarHBondContact O-N 3.49Å; Q445-L447 PolarHBondContact O-N 3.37Å
446P40.5Very low37Very low109 Ų109148.5 Ų148.571%0.70881%0.811SS**  trans-67118.3170.8-15.529.7000109.9F448P446-F448 PolarHBondContact O-N 3.26Å
447L35.6Very low36.8Very low176 Ų176151 Ų15192%0.92181%0.811SS**  trans-72.1107.9166.9-82167.1000108.7Q445 L449Q445-L447 PolarHBondContact O-N 3.37Å; L447-L449 PolarHBondContact O-N 2.9Å
448F37.5Very low36Very low184 Ų184144.5 Ų144.581%0.80780%0.803SS**  trans-71.1118.8163.1-81-90.4000108.8P446 L450P446-F448 PolarHBondContact O-N 3.26Å; F448-L450 PolarHBondContact O-N 3.35Å
449L33.4Very low35.5Very low172 Ų172140.8 Ų140.890%0.90180%0.799SS**  trans-72114.9171-169.273.4000108L447L447-L449 PolarHBondContact O-N 2.9Å
450L37.5Very low35.3Very low160 Ų160138.6 Ų138.684%0.83880%0.797SS**  trans-83.1124.7173.8-77.7159.5000109.4F448F448-L450 PolarHBondContact O-N 3.35Å
451D31.1Very low34.8Very low158 Ų158142.7 Ų142.785%0.84581%0.809SS**  trans-69.8133.1168.2-105.2-36.1000110.4
452P40.6Very low34.7Very low112 Ų112143 Ų14373%0.72782%0.815SS**  trans-100.585.3177.936.9-30.2000111.5
453D30.3Very low34.9Very low162 Ų162138.2 Ų138.287%0.86681%0.81SS**  trans-159.286153.8-106.2-26.2000111.5
454A31.5Very low34.4Very low101 Ų101139.3 Ų139.384%0.83582%0.817SS**  trans-142.182.5169.900000109.4
455V40Very low34.1Very low133 Ų133141.8 Ų141.881%0.80682%0.815SS**  trans-78120163.11710000108.2T457V455-T457 PolarHBondContact O-N 3.27Å
456D30.9Very low33.6Very low150 Ų150143.3 Ų143.380%0.80282%0.819SS**  trans-58.5118.7176.4173.830.6000112.4
457T34.2Very low33.3Very low128 Ų128146.5 Ų146.579%0.78583%0.825SS**  trans-150.9129.615244.10000111V455V455-T457 PolarHBondContact O-N 3.27Å
458G28.9Very low33.2Very low72 Ų72146.4 Ų146.474%0.74282%0.824SS**  trans92.693.1148.200000116.1
459S31.5Very low32.8Very low116 Ų116140.9 Ų140.981%0.81182%0.819SS**  trans-73.7159.9161.742.40000112.5
460S32.5Very low32.7Very low115 Ų115141.6 Ų141.680%0.80482%0.818SS**  trans92.3135.4166.573.40000120.2
461E31.6Very low32.2Very low192 Ų192139.5 Ų139.590%0.89782%0.817SS**  trans72.7112.7166.6-58.5-165.6138.500121.4
462L32Very low32.2Very low168 Ų168137.4 Ų137.488%0.8882%0.815SS**  trans-118.5160.9152.6-69.2173.7000107.4
463P37Very low31.8Very low115 Ų115141.4 Ų141.475%0.74782%0.817SS**  -129.9144.7-59.434-18.3000111.2
464V29.1Very low31.7Very low134 Ų134141.8 Ų141.881%0.81281%0.811SS**  trans-98.1110.8169.5177.80000109.7
465L31.2Very low31.8Very low152 Ų152140.7 Ų140.780%0.79680%0.797SS**  trans-77.9123.2169.7-155.487000108.8
466F28.3Very low31.4Very low200 Ų200143 Ų14388%0.87780%0.799SS**  trans-81.8113.3165.6-94.2-86.8000109.2
467E34.8Very low31.3Very low176 Ų176138.9 Ų138.982%0.82279%0.792SS**  trans-116.1147.7160.1-162.6160.3-147.700109.3
468L34Very low31.1Very low174 Ų174140.6 Ų140.691%0.91180%0.796SS**  trans-87133.7-160.1-72.9155.6000112.9
469G28.6Very low31.2Very low68 Ų68143.4 Ų143.470%0.70179%0.794SS**  80.7114.912400000120.1
470E31.4Very low31.3Very low187 Ų187146.6 Ų146.687%0.87479%0.79SS**  trans83.388.3137-55.4-168162.100121.2
471S27.8Very low31.5Very low117 Ų117146.5 Ų146.582%0.81878%0.784SS**  104.1154.5108790000121.3
472S30.9Very low31.6Very low114 Ų114144.6 Ų144.680%0.79778%0.781SS**  trans75.688172.7-1470000117.1
473Y30.7Very low31.8Very low196 Ų196142.8 Ų142.877%0.76977%0.772SS**  83.6107.764.9-136.8-104.7000115.3
474F29.5Very low32.1Very low170 Ų170142.6 Ų142.675%0.74677%0.77SS**  trans62.7166.8159.9-82.4-116.8000119.6
475S34.1Very low32.3Very low78 Ų78141.5 Ų141.555%0.54576%0.764SS.*  cis-174.8148.9-47.8-157.90000107.6
476E31.6Very low32.7Very low182 Ų182141 Ų14185%0.8576%0.761SS**  trans51.7148.2157.6-75.1149.6110.400122.4
477G28Very low33Very low63 Ų63136.2 Ų136.265%0.64975%0.752SS**  trans125.374.2134.700000119
478D29.8Very low33.1Very low163 Ų163135 Ų13587%0.87275%0.751SS**  53.4128127.2-56.3-15.4000123.9
479D32Very low33.1Very low131 Ų131133.2 Ų133.270%0.70174%0.741SS**  101.6152.6129.5-139.94.4000122.5
480Y33.4Very low33.3Very low184 Ų184136.1 Ų136.172%0.72275%0.745SS**  trans79.1109.4168.3-71-76.3000121.7
481T36Very low33.3Very low112 Ų112131 Ų13169%0.68774%0.744SS**  29.2142.412463.30000119.5
482D33.5Very low33.7Very low153 Ų153131.9 Ų131.982%0.81874%0.744SS**  cis-164160.444.8-147.8-13.5000112
483D36.1Very low33.9Very low129 Ų129134.9 Ų134.969%0.6975%0.745SS**  trans-100.7142172.8-179.936.6000109.3T485D483-T485 PolarHBondContact OD1-N 3.33Å; D483-T485 VanDerWaalsContact OD1-N 3.07Å
484P42.7Very low35.1Very low111 Ų111129.1 Ų129.172%0.72173%0.732SS**  -149.3137.5103.534.4-16.8000114.5
485T34.4Very low35.4Very low112 Ų112129 Ų12969%0.68773%0.734SS**  168.1111.5111.7-68.20000113.1D483D483-T485 PolarHBondContact OD1-N 3.33Å; D483-T485 VanDerWaalsContact OD1-N 3.07Å
486I38.6Very low35.4Very low142 Ų142134.2 Ų134.273%0.72875%0.746SS**  trans29.499.3136.9-58.2-174.6000115.7
487S35Very low35.7Very low99 Ų99130 Ų13069%0.69274%0.742SS**  84.7153.274.5-69.50000115.9
488L36.7Very low36.4Very low151 Ų151136.7 Ų136.779%0.79175%0.753SS**  trans80.5138.1164.2-41.9-179.4000116.8
489L33.9Very low37Very low135 Ų135135.8 Ų135.871%0.70775%0.749SS**  cis-176.3132.5-17.9-109176.3000102.9
490T33.6Very low38.2Very low129 Ų129134.3 Ų134.379%0.79175%0.746SS**  trans16.4131.3137.362.10000120
491G31.1Very low38.8Very low81 Ų81131 Ų13184%0.83575%0.746SS**  trans-162.597.2168.300000114.5
492T36.9Very low39.3Very low135 Ų135131.8 Ų131.883%0.82875%0.75SS**  trans-68.1146.6171.435.80000114.3
493E35.4Very low40Very low176 Ų176133.6 Ų133.682%0.82278%0.775SS**  trans36165137-78.7-113.3117.200122.2
494P55.3Low40.2Very low76 Ų76133.9 Ų133.949%0.49478%0.779SS.*  cis-135.2-173.7-48.738-20000112.1
495H36.2Very low40Very low167 Ų167135.1 Ų135.177%0.77378%0.782SS**  trans149.1117136.1-86.8-69.8000117.2
496K32.8Very low40.4Very low188 Ų188136.3 Ų136.382%0.81779%0.787SS**  49105120.2-164.2172-176.81760121.6
497A38.5Very low40.5Very low92 Ų92136 Ų13676%0.7679%0.791SS**  trans53.6131.9135.800000121.6
498K41.9Very low40.8Very low204 Ų204138.3 Ų138.389%0.88780%0.797SS**  179.7146.694.6-156.5166.4-176.7179.90112.6
499D42.4Very low41.1Very low145 Ų145137.5 Ų137.578%0.77580%0.797SS**  trans-40.6174.8159.7-100.4-48.1000116.9
500P58.8Low41.6Very low100 Ų100137.6 Ų137.665%0.64980%0.804SS**  cis-143.1-165.4-5.3260.9000115.2
501T45.4Very low42.2Very low115 Ų115138.3 Ų138.371%0.70681%0.805SS**  trans105.8104136.9-52.10000120.2
502V46.6Very low43.1Very low127 Ų127143.1 Ų143.177%0.7780%0.802SS**  trans50.6116.2132.1-176.70000119.9
503S47.4Very low43.7Very low192 Ų192143.8 Ų143.8100%1.34380%0.8SS**  -159.30104.4-71.80000110.7

Retrieved 503 of 503 residues in 102 ms (Link to these results)

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