A0A096M5V9_POEFO Loading...

non-specific serine/threonine protein kinase

Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. Central component of the circadian clock. May act as a negative regulator of circadian rhythmicity by phosphorylating per1 and per2, which may lead to their degradation. Participates in wnt signaling.

AlphaFold DB (A0A3B3VX04), UniProt , Accession A0A096M5V9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 405 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.5Very low83.4Confident239 Ų23991.5 Ų91.5100%1.17744%0.437SS*.  0130.60-77.2176.6-17300108.3L3M1-L3 PolarHBondContact O-N 3.29Å
2E66.5Low84.4Confident107 Ų10787.2 Ų87.250%0.543%0.434SS..  trans-71.4116.2168.6-70.6-172.6156.200108.6R4 R10E2-R4 PolarHBondContact O-N 3.36Å; E2-R4 IonicContact OE2-NH2 2.98Å; E2-R10 IonicContact OE1-CZ 3.19Å; E2-R10 VanDerWaalsContact OE1-CZ 3.24Å; E2-R10 IonicContact OE1-NE 2.91Å; E2-R10 PolarHBondContact OE1-NE 2.99Å; E2-R10 IonicContact OE1-NH2 2.64Å; E2-R10 PolarHBondContact OE1-NH2 2.89Å; E2-R10 VanDerWaalsContact OE1-NH2 3.15Å; E2-R10 IonicContact OE2-CZ 2.83Å; E2-R10 VanDerWaalsContact OE2-CZ 3.25Å; E2-R10 IonicContact OE2-NE 2.68Å; E2-R10 PolarHBondContact OE2-NE 3.06Å; E2-R10 IonicContact OE2-NH2 3.02Å; E2-R10 PolarHBondContact OE2-NH2 3.23Å
3L79.6Confident85.2Confident119 Ų11989.3 Ų89.362%0.62343%0.434SS*.  trans-68.6122174.5-75.4162.6000109.1M1 L11M1-L3 PolarHBondContact O-N 3.29Å; L3-L11 HydrophobicContact CB-CB 4.04Å; L3-L11 HydrophobicContact CB-CD2 4.29Å; L3-L11 HydrophobicContact CD1-CD2 4.18Å; L3-L11 PolarHBondContact O-N 3.41Å
4R85.6Confident85.9Confident128 Ų12890.2 Ų90.248%0.48344%0.435SS..EExtended strand (participates in β ladder)trans-116.5139177.6-65.3-177.7-177.5-178.10.5109.4E2 Y9E2-R4 PolarHBondContact O-N 3.36Å; E2-R4 IonicContact OE2-NH2 2.98Å; R4-Y9 CarbonylContact C-O 3.59Å; R4-Y9 WeakPolarHBondContact CA-O 3.31Å
5V85.4Confident86.3Confident8 Ų887.9 Ų87.95%0.04843%0.425CS..EExtended strand (participates in β ladder)trans-112.9129.6177.1173.30000108.2N7 R8 Y9 W70 V79V5-N7 PolarHBondContact O-N 2.99Å; V5-N7 VanDerWaalsContact O-N 3.15Å; V5-R8 PolarHBondContact O-N 3.42Å; V5-Y9 PolarHBondContact N-O 3.37Å; V5-Y9 PolarHBondContact O-N 3.46Å; V5-W70 HydrophobicContact CG1-CE3 4.04Å; V5-W70 HydrophobicContact CG1-CH2 3.91Å; V5-W70 HydrophobicContact CG1-CZ3 3.31Å; V5-V79 HydrophobicContact CB-CG1 4.45Å; V5-V79 HydrophobicContact CG1-CB 3.96Å; V5-V79 HydrophobicContact CG1-CG1 3.45Å; V5-V79 VanDerWaalsContact CG1-CG1 3.45Å; V5-V79 HydrophobicContact CG1-CG2 4.17Å; V5-V79 HydrophobicContact CG2-CG1 4.28Å
6G83.5Confident86.4Confident27 Ų2784.2 Ų84.228%0.27842%0.416SS..THydrogen-bonded Turntrans57.330.4176.900000113.3R8 E74G6-R8 PolarHBondContact O-N 3.22Å; G6-E74 PolarHBondContact N-OE2 2.89Å
7N87.3Confident86.3Confident140 Ų14083.8 Ų83.875%0.74942%0.424SS*.THydrogen-bonded Turntrans52.110.3-174.9-67.5-34.5000116.3V5V5-N7 PolarHBondContact O-N 2.99Å; V5-N7 VanDerWaalsContact O-N 3.15Å
8R93.8Very high85.5Confident108 Ų10880.7 Ų80.741%0.40842%0.417SS..THydrogen-bonded Turntrans-129.5-30.8-172177175.3173.1171.2-0.9113.4V5 G6 D28 I29 S30V5-R8 PolarHBondContact O-N 3.42Å; G6-R8 PolarHBondContact O-N 3.22Å; R8-D28 VanDerWaalsContact CG-OD1 3.31Å; R8-D28 WeakPolarHBondContact CG-OD1 3.45Å; R8-D28 IonicContact CZ-OD1 2.67Å; R8-D28 IonicContact CZ-OD2 2.74Å; R8-D28 VanDerWaalsContact NE-CG 3.27Å; R8-D28 IonicContact NE-OD1 2.7Å; R8-D28 PolarHBondContact NE-OD1 2.84Å; R8-D28 IonicContact NE-OD2 3.99Å; R8-D28 PolarHBondContact NE-OD2 3.18Å; R8-D28 IonicContact NH2-OD1 3.28Å; R8-D28 IonicContact NH2-OD2 3.15Å; R8-D28 PolarHBondContact NH2-OD2 3.47Å; R8-I29 WeakPolarHBondContact O-CG1 3.37Å; R8-I29 PolarHBondContact O-N 2.92Å; R8-S30 PolarHBondContact NE-OG 3.02Å
9Y96.3Very high84.4Confident5 Ų578.1 Ų78.12%0.0241%0.406CS..EExtended strand (participates in β ladder)trans-109119-173.5-55.1-78.2000110.1R4 V5 T27 D28 V35 W70 V81R4-Y9 CarbonylContact C-O 3.59Å; R4-Y9 WeakPolarHBondContact CA-O 3.31Å; V5-Y9 PolarHBondContact N-O 3.37Å; V5-Y9 PolarHBondContact O-N 3.46Å; Y9-T27 CarbonylContact C-O 3.45Å; Y9-T27 WeakPolarHBondContact CA-O 3.42Å; Y9-D28 HydrophobicContact CD1-CB 3.89Å; Y9-D28 HydrophobicContact CE1-CB 3.81Å; Y9-V35 HydrophobicContact CD1-CG2 4.18Å; Y9-W70 HydrophobicContact CE2-CB 3.64Å; Y9-W70 HydrophobicContact CE2-CD2 4.38Å; Y9-W70 AromaticContact CE2-CG 3.96Å; Y9-W70 HydrophobicContact CE2-CG 3.96Å; Y9-V81 HydrophobicContact CD1-CG1 3.8Å; Y9-V81 HydrophobicContact CD1-CG2 4.45Å; Y9-V81 HydrophobicContact CD2-CG2 3.85Å; Y9-V81 HydrophobicContact CE1-CG1 3.75Å; Y9-V81 HydrophobicContact CE2-CB 4.49Å; Y9-V81 HydrophobicContact CE2-CG1 4.49Å; Y9-V81 HydrophobicContact CE2-CG2 4.14Å; Y9-V81 HydrophobicContact CG-CG1 4.19Å; Y9-V81 HydrophobicContact CG-CG2 4Å
10R95.4Very high83.9Confident95 Ų9576.8 Ų76.836%0.35840%0.397SS..EExtended strand (participates in β ladder)trans-80.1124.9172.2-176.7-175.7-72.4153.7-10.6108.8E2 G26 T27 I29E2-R10 IonicContact OE1-CZ 3.19Å; E2-R10 VanDerWaalsContact OE1-CZ 3.24Å; E2-R10 IonicContact OE1-NE 2.91Å; E2-R10 PolarHBondContact OE1-NE 2.99Å; E2-R10 IonicContact OE1-NH2 2.64Å; E2-R10 PolarHBondContact OE1-NH2 2.89Å; E2-R10 VanDerWaalsContact OE1-NH2 3.15Å; E2-R10 IonicContact OE2-CZ 2.83Å; E2-R10 VanDerWaalsContact OE2-CZ 3.25Å; E2-R10 IonicContact OE2-NE 2.68Å; E2-R10 PolarHBondContact OE2-NE 3.06Å; E2-R10 IonicContact OE2-NH2 3.02Å; E2-R10 PolarHBondContact OE2-NH2 3.23Å; R10-G26 CarbonylContact O-C 3.57Å; R10-G26 WeakPolarHBondContact O-CA 3.33Å; R10-T27 PolarHBondContact N-O 3.31Å; R10-T27 PolarHBondContact O-N 3.15Å; R10-I29 HydrophobicContact CB-CG2 3.96Å
11L95Very high83.9Confident31 Ų3173.9 Ų73.916%0.16239%0.386CS..EExtended strand (participates in β ladder)trans-77.5129.4174.9-166.971000109.7L3 Y24 I37 L39L3-L11 HydrophobicContact CB-CB 4.04Å; L3-L11 HydrophobicContact CB-CD2 4.29Å; L3-L11 HydrophobicContact CD1-CD2 4.18Å; L3-L11 PolarHBondContact O-N 3.41Å; L11-Y24 VanDerWaalsContact CD1-CB 3.47Å; L11-Y24 HydrophobicContact CD1-CD1 4.17Å; L11-Y24 HydrophobicContact CD1-CD2 4.28Å; L11-Y24 HydrophobicContact CD1-CG 3.74Å; L11-Y24 HydrophobicContact CD2-CD1 4.33Å; L11-Y24 HydrophobicContact CG-CD1 4.18Å; L11-Y24 HydrophobicContact CG-CG 4.26Å; L11-I37 HydrophobicContact CD1-CB 4.06Å; L11-I37 HydrophobicContact CD1-CD1 3.99Å; L11-I37 HydrophobicContact CD1-CG2 3.99Å; L11-L39 HydrophobicContact CD1-CD1 4.15Å; L11-L39 HydrophobicContact CD2-CD1 3.95Å
12G95.1Very high85.9Confident39 Ų3965 Ų6540%0.40234%0.343SS..EExtended strand (participates in β ladder)trans-106.1-148.3177.200000112.2L25G12-L25 CarbonylContact C-O 3.53Å; G12-L25 WeakPolarHBondContact CA-O 3.4Å; G12-L25 PolarHBondContact N-O 3.49Å
13R94.5Very high87.2Confident115 Ų11561.5 Ų61.543%0.43433%0.328SS..EExtended strand (participates in β ladder)trans-73.5150.8-18070-179.4-176.3-83.3-5.5111.8I15 Y24 L25 M361R13-I15 HydrophobicContact CG-CG2 4.19Å; R13-I15 PolarHBondContact O-N 2.92Å; R13-Y24 WeakPolarHBondContact O-CA 3.45Å; R13-L25 PolarHBondContact O-N 3Å; R13-M361 PolarHBondContact NH2-SD 3.45Å
14K94.6Very high88Confident102 Ų10258.2 Ų58.244%0.44331%0.307SS..EExtended strand (participates in β ladder)trans-61.7133.4166.4-171.2172.3177.3167.50109.5G16 D22 Y24K14-G16 VanDerWaalsContact CE-O 3.3Å; K14-G16 WeakPolarHBondContact CE-O 3.31Å; K14-D22 HydrophobicContact CD-CB 4.46Å; K14-D22 WeakPolarHBondContact CE-OD1 3.45Å; K14-D22 WeakPolarHBondContact CE-OD2 3.33Å; K14-D22 IonicContact NZ-OD1 3.64Å; K14-D22 PolarHBondContact NZ-OD1 3.31Å; K14-D22 IonicContact NZ-OD2 2.69Å; K14-D22 PolarHBondContact NZ-OD2 3.05Å; K14-Y24 HydrophobicContact CB-CD1 3.96Å; K14-Y24 HydrophobicContact CB-CE1 3.67Å; K14-Y24 HydrophobicContact CG-CE1 4.29Å
15I92.4Very high88.5Confident56 Ų5652.9 Ų52.929%0.28729%0.288SS..EExtended strand (participates in β ladder)trans-119-12.5178.658.9175.4000112.9R13 I23 L25 L84R13-I15 HydrophobicContact CG-CG2 4.19Å; R13-I15 PolarHBondContact O-N 2.92Å; I15-I23 HydrophobicContact CD1-CG2 4.01Å; I15-I23 HydrophobicContact CG1-CB 4.27Å; I15-I23 HydrophobicContact CG1-CG2 3.85Å; I15-I23 WeakPolarHBondContact CG1-O 3.5Å; I15-I23 PolarHBondContact N-O 3.06Å; I15-L25 HydrophobicContact CD1-CB 4.48Å; I15-L25 HydrophobicContact CG2-CB 3.83Å; I15-L84 HydrophobicContact CD1-CD1 4.29Å
16G88.4Confident89.1Confident28 Ų2852.5 Ų52.529%0.28929%0.286SS..EExtended strand (participates in β ladder)trans-178-174.2174.500000112.6K14 I23K14-G16 VanDerWaalsContact CE-O 3.3Å; K14-G16 WeakPolarHBondContact CE-O 3.31Å; G16-I23 PolarHBondContact N-O 3.44Å; G16-I23 VanDerWaalsContact N-O 3.16Å; G16-I23 PolarHBondContact O-N 3.46Å
17S84.4Confident89.7Confident77 Ų7753.3 Ų53.354%0.53829%0.285SS..EExtended strand (participates in β ladder)trans-132.6140.6169.346.90000108.6
18G71.3Confident90.2Very high29 Ų2946.6 Ų46.630%0.29925%0.25SC..EExtended strand (participates in β ladder)trans-110.9-17717300000111.2F20 G21G18-F20 PolarHBondContact O-N 3.1Å; G18-G21 PolarHBondContact N-O 3.47Å
19S65.4Low90.3Very high31 Ų3144.7 Ų44.722%0.21725%0.247CC..THydrogen-bonded Turntrans-57.7-26.1-174.4-54.30000114.6D149S19-D149 WeakPolarHBondContact CB-OD2 3.11Å; S19-D149 PolarHBondContact N-OD2 3.12Å; S19-D149 PolarHBondContact OG-OD2 3.33Å
20F73.8Confident90.1Very high52 Ų5248.1 Ų48.123%0.22827%0.271CS..THydrogen-bonded Turntrans-137.616.9-171.7-55.4-73.3000113.9G18 E40 Q48 G151 L152G18-F20 PolarHBondContact O-N 3.1Å; F20-E40 WeakPolarHBondContact O-CB 3.45Å; F20-E40 WeakPolarHBondContact O-CG 3.32Å; F20-Q48 VanDerWaalsContact CZ-OE1 3.28Å; F20-G151 VanDerWaalsContact CE2-C 3.41Å; F20-L152 HydrophobicContact CE2-CD2 3.99Å; F20-L152 HydrophobicContact CE2-CG 3.98Å; F20-L152 HydrophobicContact CZ-CD2 3.56Å; F20-L152 HydrophobicContact CZ-CG 4.05Å
21G83.8Confident90.1Very high15 Ų1548.1 Ų48.116%0.15528%0.282CS..EExtended strand (participates in β ladder)trans171.5169.5-177.300000113.9G18 L39G18-G21 PolarHBondContact N-O 3.47Å; G21-L39 CarbonylContact C-O 3.52Å; G21-L39 WeakPolarHBondContact CA-O 3.32Å
22D91.8Very high90Very high53 Ų5349.4 Ų49.428%0.28330%0.302SS..EExtended strand (participates in β ladder)trans-89.9145.4177.8-76.9-21.8000110.8K14 Y24 K38 L39K14-D22 HydrophobicContact CD-CB 4.46Å; K14-D22 WeakPolarHBondContact CE-OD1 3.45Å; K14-D22 WeakPolarHBondContact CE-OD2 3.33Å; K14-D22 IonicContact NZ-OD1 3.64Å; K14-D22 PolarHBondContact NZ-OD1 3.31Å; K14-D22 IonicContact NZ-OD2 2.69Å; K14-D22 PolarHBondContact NZ-OD2 3.05Å; D22-Y24 HydrophobicContact CB-CD2 4.22Å; D22-Y24 HydrophobicContact CB-CE2 3.42Å; D22-Y24 VanDerWaalsContact CB-CE2 3.42Å; D22-K38 WeakPolarHBondContact O-CA 3.39Å; D22-L39 PolarHBondContact N-O 3.44Å; D22-L39 PolarHBondContact O-N 3.37Å
23I94.6Very high90Very high34 Ų3451.4 Ų51.417%0.17430%0.301CS..EExtended strand (participates in β ladder)trans-107.6128.6178.4-46.5-61000109.1I15 G16 A36 K38I15-I23 HydrophobicContact CD1-CG2 4.01Å; I15-I23 HydrophobicContact CG1-CB 4.27Å; I15-I23 HydrophobicContact CG1-CG2 3.85Å; I15-I23 WeakPolarHBondContact CG1-O 3.5Å; I15-I23 PolarHBondContact N-O 3.06Å; G16-I23 PolarHBondContact N-O 3.44Å; G16-I23 VanDerWaalsContact N-O 3.16Å; G16-I23 PolarHBondContact O-N 3.46Å; I23-A36 HydrophobicContact CG2-CB 4.41Å; I23-K38 HydrophobicContact CD1-CB 3.62Å; I23-K38 HydrophobicContact CD1-CD 3.62Å; I23-K38 HydrophobicContact CD1-CG 3.45Å; I23-K38 VanDerWaalsContact CD1-CG 3.45Å
24Y95.8Very high90.1Very high50 Ų5049.5 Ų49.520%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-119.8145.5179.6-67.3-101.6000110.4L11 R13 K14 D22 I37 L39L11-Y24 VanDerWaalsContact CD1-CB 3.47Å; L11-Y24 HydrophobicContact CD1-CD1 4.17Å; L11-Y24 HydrophobicContact CD1-CD2 4.28Å; L11-Y24 HydrophobicContact CD1-CG 3.74Å; L11-Y24 HydrophobicContact CD2-CD1 4.33Å; L11-Y24 HydrophobicContact CG-CD1 4.18Å; L11-Y24 HydrophobicContact CG-CG 4.26Å; R13-Y24 WeakPolarHBondContact O-CA 3.45Å; K14-Y24 HydrophobicContact CB-CD1 3.96Å; K14-Y24 HydrophobicContact CB-CE1 3.67Å; K14-Y24 HydrophobicContact CG-CE1 4.29Å; D22-Y24 HydrophobicContact CB-CD2 4.22Å; D22-Y24 HydrophobicContact CB-CE2 3.42Å; D22-Y24 VanDerWaalsContact CB-CE2 3.42Å; Y24-I37 PolarHBondContact N-O 3.32Å; Y24-I37 PolarHBondContact O-N 2.95Å; Y24-L39 HydrophobicContact CD2-CD1 3.77Å; Y24-L39 HydrophobicContact CD2-CG 4.09Å; Y24-L39 HydrophobicContact CE2-CB 4.48Å; Y24-L39 HydrophobicContact CE2-CD1 3.67Å; Y24-L39 HydrophobicContact CE2-CG 4.25Å
25L96.8Very high90.3Very high15 Ų1544.6 Ų44.68%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-68.2139.7160.2-179.264.7000107.8G12 R13 I15 E34 L84 M361G12-L25 CarbonylContact C-O 3.53Å; G12-L25 WeakPolarHBondContact CA-O 3.4Å; G12-L25 PolarHBondContact N-O 3.49Å; R13-L25 PolarHBondContact O-N 3Å; I15-L25 HydrophobicContact CD1-CB 4.48Å; I15-L25 HydrophobicContact CG2-CB 3.83Å; L25-E34 HydrophobicContact CD1-CB 4.28Å; L25-L84 HydrophobicContact CD1-CD1 4.14Å; L25-L84 HydrophobicContact CD1-CD2 3.64Å; L25-M361 HydrophobicContact CD2-CE 4.5Å
26G96.9Very high90.5Very high0 Ų042.4 Ų42.40%027%0.266CS..EExtended strand (participates in β ladder)trans-138175.1171.900000112R10 E34 V35R10-G26 CarbonylContact O-C 3.57Å; R10-G26 WeakPolarHBondContact O-CA 3.33Å; G26-E34 WeakPolarHBondContact O-CA 3.02Å; G26-V35 PolarHBondContact N-O 2.92Å; G26-V35 PolarHBondContact O-N 3.05Å
27T97.4Very high90.9Very high44 Ų4441.1 Ų41.127%0.2725%0.252SS..EExtended strand (participates in β ladder)trans-133.2126.6175.2-49.50000109.4Y9 R10 I29 E33Y9-T27 CarbonylContact C-O 3.45Å; Y9-T27 WeakPolarHBondContact CA-O 3.42Å; R10-T27 PolarHBondContact N-O 3.31Å; R10-T27 PolarHBondContact O-N 3.15Å; T27-I29 PolarHBondContact O-N 3.03Å; T27-E33 CarbonylContact C-O 3.58Å; T27-E33 WeakPolarHBondContact CA-O 3.34Å
28D96.8Very high91.4Very high0 Ų037.7 Ų37.70%023%0.228CC..EExtended strand (participates in β ladder)trans-71.5108.1165.8-173.4-21.4000108.9R8 Y9 S30 V31 G32 E33 V35R8-D28 VanDerWaalsContact CG-OD1 3.31Å; R8-D28 WeakPolarHBondContact CG-OD1 3.45Å; R8-D28 IonicContact CZ-OD1 2.67Å; R8-D28 IonicContact CZ-OD2 2.74Å; R8-D28 VanDerWaalsContact NE-CG 3.27Å; R8-D28 IonicContact NE-OD1 2.7Å; R8-D28 PolarHBondContact NE-OD1 2.84Å; R8-D28 IonicContact NE-OD2 3.99Å; R8-D28 PolarHBondContact NE-OD2 3.18Å; R8-D28 IonicContact NH2-OD1 3.28Å; R8-D28 IonicContact NH2-OD2 3.15Å; R8-D28 PolarHBondContact NH2-OD2 3.47Å; Y9-D28 HydrophobicContact CD1-CB 3.89Å; Y9-D28 HydrophobicContact CE1-CB 3.81Å; D28-S30 PolarHBondContact O-N 3.5Å; D28-S30 WeakPolarHBondContact OD1-CB 3.36Å; D28-S30 PolarHBondContact OD1-N 3.42Å; D28-S30 PolarHBondContact OD1-OG 3.47Å; D28-V31 HydrophobicContact CB-CG2 3.96Å; D28-V31 PolarHBondContact O-N 2.87Å; D28-G32 VanDerWaalsContact O-CA 3.31Å; D28-G32 WeakPolarHBondContact O-CA 3.39Å; D28-G32 PolarHBondContact O-N 2.97Å; D28-E33 HydrophobicContact CB-CB 4.43Å; D28-E33 PolarHBondContact N-O 2.94Å; D28-E33 PolarHBondContact O-N 3.34Å; D28-V35 HydrophobicContact CB-CG1 4.42Å
29I94.9Very high92.5Very high68 Ų6837.2 Ų37.235%0.34922%0.218SC..THydrogen-bonded Turntrans-69.9-19-173.373.6-164.4000112.8R8 R10 T27R8-I29 WeakPolarHBondContact O-CG1 3.37Å; R8-I29 PolarHBondContact O-N 2.92Å; R10-I29 HydrophobicContact CB-CG2 3.96Å; T27-I29 PolarHBondContact O-N 3.03Å
30S93.8Very high93.9Very high76 Ų7635.9 Ų35.953%0.53121%0.209SC..THydrogen-bonded Turntrans-74.1-32.1-178.465.70000112.6R8 D28R8-S30 PolarHBondContact NE-OG 3.02Å; D28-S30 PolarHBondContact O-N 3.5Å; D28-S30 WeakPolarHBondContact OD1-CB 3.36Å; D28-S30 PolarHBondContact OD1-N 3.42Å; D28-S30 PolarHBondContact OD1-OG 3.47Å
31V94.5Very high94.8Very high96 Ų9635.7 Ų35.758%0.58221%0.213SC*.THydrogen-bonded Turntrans-126.2-4.3-174.5-65.70000113.5D28 E33D28-V31 HydrophobicContact CB-CG2 3.96Å; D28-V31 PolarHBondContact O-N 2.87Å; V31-E33 VanDerWaalsContact C-N 3.28Å; V31-E33 HydrophobicContact CG2-CB 3.75Å; V31-E33 PolarHBondContact O-N 3.4Å
32G93.1Very high95.1Very high57 Ų5737.7 Ų37.759%0.58822%0.222SC*.THydrogen-bonded Turntrans70.120.1-178.500000114.3D28D28-G32 VanDerWaalsContact O-CA 3.31Å; D28-G32 WeakPolarHBondContact O-CA 3.39Å; D28-G32 PolarHBondContact O-N 2.97Å
33E94.9Very high95Very high81 Ų8142.4 Ų42.438%0.37924%0.24SC..EExtended strand (participates in β ladder)trans-86.8134.6-176.9-169.3-170.4169.600111T27 D28 V31 K69T27-E33 CarbonylContact C-O 3.58Å; T27-E33 WeakPolarHBondContact CA-O 3.34Å; D28-E33 HydrophobicContact CB-CB 4.43Å; D28-E33 PolarHBondContact N-O 2.94Å; D28-E33 PolarHBondContact O-N 3.34Å; V31-E33 VanDerWaalsContact C-N 3.28Å; V31-E33 HydrophobicContact CG2-CB 3.75Å; V31-E33 PolarHBondContact O-N 3.4Å; E33-K69 WeakPolarHBondContact OE1-CE 3.21Å; E33-K69 IonicContact OE1-NZ 2.8Å; E33-K69 PolarHBondContact OE1-NZ 2.9Å; E33-K69 IonicContact OE2-NZ 3.98Å; E33-K69 PolarHBondContact OE2-NZ 3.4Å
34E96.9Very high94.6Very high75 Ų7543.8 Ų43.835%0.3525%0.25SS..EExtended strand (participates in β ladder)trans-74.2138.4172.1-64.4-173.6114.300111.3L25 G26 L84L25-E34 HydrophobicContact CD1-CB 4.28Å; G26-E34 WeakPolarHBondContact O-CA 3.02Å; E34-L84 HydrophobicContact CB-CD2 3.64Å
35V97.8Very high94Very high0 Ų048.6 Ų48.60%027%0.272CS..EExtended strand (participates in β ladder)trans-133.7160.6-176.6-62.60000110.8Y9 G26 D28 I37 K69 V81Y9-V35 HydrophobicContact CD1-CG2 4.18Å; G26-V35 PolarHBondContact N-O 2.92Å; G26-V35 PolarHBondContact O-N 3.05Å; D28-V35 HydrophobicContact CB-CG1 4.42Å; V35-I37 HydrophobicContact CG2-CD1 4.22Å; V35-I37 HydrophobicContact CG2-CG1 3.96Å; V35-K69 HydrophobicContact CG1-CD 3.63Å; V35-V81 HydrophobicContact CB-CG1 3.8Å; V35-V81 HydrophobicContact CG1-CG1 4.16Å; V35-V81 HydrophobicContact CG2-CG1 3.74Å
36A97.5Very high93.5Very high10 Ų1053.1 Ų53.18%0.08329%0.293CS..EExtended strand (participates in β ladder)trans-98.3135.7165.200000109.7I23 V81 M82 L84I23-A36 HydrophobicContact CG2-CB 4.41Å; A36-V81 WeakPolarHBondContact O-CA 3.25Å; A36-M82 HydrophobicContact CB-CG 3.81Å; A36-M82 PolarHBondContact N-O 2.87Å; A36-M82 PolarHBondContact O-N 3.11Å; A36-L84 HydrophobicContact CB-CD1 4.11Å
37I96.6Very high93Very high0 Ų056.3 Ų56.30%031%0.314CS..EExtended strand (participates in β ladder)trans-121.7113.8-178.9-52.8-174.1000108.6L11 Y24 V35 L39 V79 V81L11-I37 HydrophobicContact CD1-CB 4.06Å; L11-I37 HydrophobicContact CD1-CD1 3.99Å; L11-I37 HydrophobicContact CD1-CG2 3.99Å; Y24-I37 PolarHBondContact N-O 3.32Å; Y24-I37 PolarHBondContact O-N 2.95Å; V35-I37 HydrophobicContact CG2-CD1 4.22Å; V35-I37 HydrophobicContact CG2-CG1 3.96Å; I37-L39 HydrophobicContact CG2-CD2 3.94Å; I37-L39 HydrophobicContact CG2-CG 4.34Å; I37-V79 HydrophobicContact CG2-CG1 3.47Å; I37-V79 VanDerWaalsContact CG2-CG1 3.47Å; I37-V81 HydrophobicContact CG1-CG1 4.42Å; I37-V81 HydrophobicContact CG1-CG2 4.2Å; I37-V81 HydrophobicContact CG2-CG2 4.37Å
38K95.6Very high92.6Very high6 Ų656.8 Ų56.83%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-92.8127173.6-173.6165-169.9-174.10109.2D22 I23 L49 E52 V79 M80 M82 D149D22-K38 WeakPolarHBondContact O-CA 3.39Å; I23-K38 HydrophobicContact CD1-CB 3.62Å; I23-K38 HydrophobicContact CD1-CD 3.62Å; I23-K38 HydrophobicContact CD1-CG 3.45Å; I23-K38 VanDerWaalsContact CD1-CG 3.45Å; K38-L49 HydrophobicContact CB-CD1 4.22Å; K38-L49 HydrophobicContact CD-CD1 3.57Å; K38-L49 HydrophobicContact CG-CD1 3.66Å; K38-E52 IonicContact NZ-OE1 2.78Å; K38-E52 PolarHBondContact NZ-OE1 3.23Å; K38-E52 IonicContact NZ-OE2 2.98Å; K38-E52 PolarHBondContact NZ-OE2 3.49Å; K38-V79 WeakPolarHBondContact O-CA 3.31Å; K38-M80 HydrophobicContact CB-CB 4.45Å; K38-M80 HydrophobicContact CD-CE 4.12Å; K38-M80 PolarHBondContact N-O 2.96Å; K38-M80 PolarHBondContact O-N 3.39Å; K38-M82 HydrophobicContact CB-CE 4.18Å; K38-D149 IonicContact NZ-OD1 2.89Å; K38-D149 PolarHBondContact NZ-OD1 2.81Å
39L94.4Very high92.4Very high18 Ų1856.8 Ų56.89%0.09431%0.313CS..EExtended strand (participates in β ladder)trans-115.9126.4179.1-60.7-179.4000110.4L11 G21 D22 Y24 I37 Y77 V79L11-L39 HydrophobicContact CD1-CD1 4.15Å; L11-L39 HydrophobicContact CD2-CD1 3.95Å; G21-L39 CarbonylContact C-O 3.52Å; G21-L39 WeakPolarHBondContact CA-O 3.32Å; D22-L39 PolarHBondContact N-O 3.44Å; D22-L39 PolarHBondContact O-N 3.37Å; Y24-L39 HydrophobicContact CD2-CD1 3.77Å; Y24-L39 HydrophobicContact CD2-CG 4.09Å; Y24-L39 HydrophobicContact CE2-CB 4.48Å; Y24-L39 HydrophobicContact CE2-CD1 3.67Å; Y24-L39 HydrophobicContact CE2-CG 4.25Å; I37-L39 HydrophobicContact CG2-CD2 3.94Å; I37-L39 HydrophobicContact CG2-CG 4.34Å; L39-Y77 HydrophobicContact CB-CD1 4.09Å; L39-V79 HydrophobicContact CD2-CB 3.87Å; L39-V79 HydrophobicContact CD2-CG1 3.49Å; L39-V79 VanDerWaalsContact CD2-CG1 3.49Å; L39-V79 HydrophobicContact CD2-CG2 3.39Å
40E94.6Very high92.2Very high4 Ų457.3 Ų57.32%0.01931%0.313CS..EExtended strand (participates in β ladder)trans-119.6126173.2171.7-173.7-110.500108.9F20 V42 T44 P47 Q48 L49 Y77 N78F20-E40 WeakPolarHBondContact O-CB 3.45Å; F20-E40 WeakPolarHBondContact O-CG 3.32Å; E40-V42 PolarHBondContact O-N 2.97Å; E40-T44 HydrophobicContact CG-CG2 3.99Å; E40-P47 WeakPolarHBondContact OE1-CA 3.38Å; E40-Q48 PolarHBondContact OE1-N 3.13Å; E40-Q48 PolarHBondContact OE2-N 3.47Å; E40-L49 HydrophobicContact CB-CB 3.93Å; E40-L49 HydrophobicContact CB-CD2 3.94Å; E40-L49 HydrophobicContact CB-CG 4.49Å; E40-L49 HydrophobicContact CG-CB 4.46Å; E40-L49 PolarHBondContact OE1-N 2.94Å; E40-L49 VanDerWaalsContact OE2-CB 3.26Å; E40-L49 WeakPolarHBondContact OE2-CB 3.37Å; E40-L49 PolarHBondContact OE2-N 3.02Å; E40-L49 VanDerWaalsContact OE2-N 3.11Å; E40-Y77 CarbonylContact O-C 3.19Å; E40-Y77 VanDerWaalsContact O-CA 3.3Å; E40-Y77 WeakPolarHBondContact O-CA 3.29Å; E40-N78 HydrophobicContact CB-CB 4.28Å; E40-N78 PolarHBondContact N-O 3.37Å; E40-N78 PolarHBondContact O-N 3.01Å; E40-N78 PolarHBondContact OE2-ND2 3.28Å
41C91.9Very high92.1Very high48 Ų4858.6 Ų58.632%0.32431%0.314SS..EExtended strand (participates in β ladder)trans-66.9128.8176.3-179.80000110.5K43 T44 D76 Y77C41-K43 PolarHBondContact O-N 3.44Å; C41-K43 VanDerWaalsContact O-N 3.14Å; C41-T44 WeakPolarHBondContact O-CB 3.43Å; C41-T44 WeakPolarHBondContact O-CG2 3.33Å; C41-T44 PolarHBondContact O-N 3.41Å; C41-D76 WeakPolarHBondContact CA-O 3.39Å; C41-Y77 HydrophobicContact CB-CD1 4.33Å; C41-Y77 HydrophobicContact CB-CE1 4.14Å
42V89.9Confident92.2Very high57 Ų5754.1 Ų54.135%0.34529%0.286SS..THydrogen-bonded Turntrans-62.8-22.6-179.2-59.30000113E40 T44 D76E40-V42 PolarHBondContact O-N 2.97Å; V42-T44 PolarHBondContact O-N 3.44Å; V42-D76 WeakPolarHBondContact CG2-O 3.26Å; V42-D76 PolarHBondContact N-O 3.16Å
43K89.8Confident92.3Very high151 Ų15151.7 Ų51.766%0.65726%0.26SS*.THydrogen-bonded Turntrans-80.1-1.1177.9-62.8168.6178.5157.70113C41 D76C41-K43 PolarHBondContact O-N 3.44Å; C41-K43 VanDerWaalsContact O-N 3.14Å; K43-D76 IonicContact NZ-OD1 3.66Å; K43-D76 IonicContact NZ-OD2 3.56Å; K43-D76 PolarHBondContact NZ-OD2 3.13Å
44T87Confident92.3Very high63 Ų6354.4 Ų54.439%0.38727%0.271SS..SBendtrans-61.1143.8173.6-1690000110.5E40 C41 V42 H46 P47E40-T44 HydrophobicContact CG-CG2 3.99Å; C41-T44 WeakPolarHBondContact O-CB 3.43Å; C41-T44 WeakPolarHBondContact O-CG2 3.33Å; C41-T44 PolarHBondContact O-N 3.41Å; V42-T44 PolarHBondContact O-N 3.44Å; T44-H46 PolarHBondContact O-N 3.1Å; T44-P47 HydrophobicContact CG2-CB 3.79Å
45K83.9Confident92.3Very high152 Ų15251.2 Ų51.266%0.66126%0.256SS*.SBendtrans-60.8-29.8-175.6-168.9-179.7176.4-179.90112.7
46H84.4Confident92.3Very high110 Ų11051.3 Ų51.351%0.50926%0.256SS..SBendtrans-138.880.7-176.4-58-58.5000109.9T44 Q48T44-H46 PolarHBondContact O-N 3.1Å; H46-Q48 WeakPolarHBondContact O-CG 3.34Å
47P86.8Confident92.2Very high67 Ų6757 Ų5744%0.43528%0.279SS..  trans-69.8130.718027.2-32.4000110.3E40 T44E40-P47 WeakPolarHBondContact OE1-CA 3.38Å; T44-P47 HydrophobicContact CG2-CB 3.79Å
48Q89.8Confident92.3Very high53 Ų5361.7 Ų61.725%0.24830%0.302CS..  trans-130.5-11-171.7-68.8178.530.500113.2F20 E40 H46 H50 I51 E52 G151F20-Q48 VanDerWaalsContact CZ-OE1 3.28Å; E40-Q48 PolarHBondContact OE1-N 3.13Å; E40-Q48 PolarHBondContact OE2-N 3.47Å; H46-Q48 WeakPolarHBondContact O-CG 3.34Å; Q48-H50 VanDerWaalsContact C-N 3.29Å; Q48-H50 PolarHBondContact O-N 2.98Å; Q48-I51 WeakPolarHBondContact O-CA 3.3Å; Q48-I51 WeakPolarHBondContact O-CB 3.3Å; Q48-I51 PolarHBondContact O-N 3.42Å; Q48-E52 PolarHBondContact O-N 3.45Å; Q48-G151 PolarHBondContact OE1-O 2.67Å; Q48-G151 VanDerWaalsContact OE1-O 3.06Å
49L91.7Very high92.3Very high0 Ų061.4 Ų61.40%030%0.301CS..Hα-helixtrans-61.2-36.9-172.9-167.964.9000113K38 E40 I51 E52 S53 N78 M80K38-L49 HydrophobicContact CB-CD1 4.22Å; K38-L49 HydrophobicContact CD-CD1 3.57Å; K38-L49 HydrophobicContact CG-CD1 3.66Å; E40-L49 HydrophobicContact CB-CB 3.93Å; E40-L49 HydrophobicContact CB-CD2 3.94Å; E40-L49 HydrophobicContact CB-CG 4.49Å; E40-L49 HydrophobicContact CG-CB 4.46Å; E40-L49 PolarHBondContact OE1-N 2.94Å; E40-L49 VanDerWaalsContact OE2-CB 3.26Å; E40-L49 WeakPolarHBondContact OE2-CB 3.37Å; E40-L49 PolarHBondContact OE2-N 3.02Å; E40-L49 VanDerWaalsContact OE2-N 3.11Å; L49-I51 VanDerWaalsContact C-N 3.34Å; L49-I51 PolarHBondContact O-N 3.29Å; L49-E52 PolarHBondContact O-N 2.99Å; L49-S53 PolarHBondContact O-N 3.22Å; L49-N78 HydrophobicContact CB-CB 4.2Å; L49-N78 HydrophobicContact CD2-CB 3.93Å; L49-N78 VanDerWaalsContact CD2-O 3.3Å; L49-N78 WeakPolarHBondContact CD2-O 3.22Å; L49-M80 HydrophobicContact CD1-CB 3.97Å; L49-M80 HydrophobicContact CD1-CE 3.61Å; L49-M80 HydrophobicContact CD1-SD 4.34Å; L49-M80 HydrophobicContact CD2-CB 3.96Å; L49-M80 HydrophobicContact CG-CB 3.96Å
50H91.6Very high92.4Very high79 Ų7963.6 Ų63.637%0.36631%0.311SS..Hα-helixtrans-64.5-37.5173.9-77.999.9000112.8Q48 S53 K54 N78Q48-H50 VanDerWaalsContact C-N 3.29Å; Q48-H50 PolarHBondContact O-N 2.98Å; H50-S53 PolarHBondContact O-N 2.89Å; H50-S53 PolarHBondContact O-OG 3Å; H50-K54 WeakPolarHBondContact O-CG 3.26Å; H50-K54 PolarHBondContact O-N 3.23Å; H50-N78 VanDerWaalsContact CE1-CG 3.49Å; H50-N78 PolarHBondContact CE1-OD1 3.4Å
51I92.5Very high92.4Very high104 Ų10467.2 Ų67.253%0.53335%0.349SS..Hα-helixtrans-67.9-46.9176.5-60.4172.2000109.2Q48 L49 S53 K54 I55Q48-I51 WeakPolarHBondContact O-CA 3.3Å; Q48-I51 WeakPolarHBondContact O-CB 3.3Å; Q48-I51 PolarHBondContact O-N 3.42Å; L49-I51 VanDerWaalsContact C-N 3.34Å; L49-I51 PolarHBondContact O-N 3.29Å; I51-S53 VanDerWaalsContact C-N 3.29Å; I51-S53 PolarHBondContact O-N 2.76Å; I51-K54 WeakPolarHBondContact O-CB 3.49Å; I51-K54 PolarHBondContact O-N 3.42Å; I51-K54 VanDerWaalsContact O-N 3.07Å; I51-I55 HydrophobicContact CG2-CD1 4.44Å; I51-I55 PolarHBondContact O-N 2.92Å; I51-I55 VanDerWaalsContact O-N 3.09Å
52E95.1Very high92.7Very high2 Ų265.4 Ų65.41%0.00934%0.339CS..Hα-helixtrans-55.1-44.7175.5-170.8-177.7171.700111.3K38 Q48 L49 K54 I55 Y56 M80 F150K38-E52 IonicContact NZ-OE1 2.78Å; K38-E52 PolarHBondContact NZ-OE1 3.23Å; K38-E52 IonicContact NZ-OE2 2.98Å; K38-E52 PolarHBondContact NZ-OE2 3.49Å; Q48-E52 PolarHBondContact O-N 3.45Å; L49-E52 PolarHBondContact O-N 2.99Å; E52-K54 VanDerWaalsContact C-N 3.29Å; E52-K54 PolarHBondContact O-N 2.95Å; E52-I55 WeakPolarHBondContact O-CB 3.46Å; E52-I55 PolarHBondContact O-N 3.24Å; E52-I55 VanDerWaalsContact O-N 3.08Å; E52-Y56 HydrophobicContact CG-CD2 4Å; E52-Y56 HydrophobicContact CG-CE2 3.75Å; E52-Y56 WeakPolarHBondContact O-CD2 3.32Å; E52-Y56 PolarHBondContact O-N 3.44Å; E52-Y56 WeakPolarHBondContact OE1-CE2 3.34Å; E52-M80 HydrophobicContact CG-CE 4.06Å; E52-F150 HydrophobicContact CG-CB 3.98Å; E52-F150 PolarHBondContact OE1-N 3.22Å
53S94.9Very high93.1Very high6 Ų667.1 Ų67.14%0.04235%0.349CS..Hα-helixtrans-59.6-37.2177.283.60000113L49 H50 I51 Y56 K57L49-S53 PolarHBondContact O-N 3.22Å; H50-S53 PolarHBondContact O-N 2.89Å; H50-S53 PolarHBondContact O-OG 3Å; I51-S53 VanDerWaalsContact C-N 3.29Å; I51-S53 PolarHBondContact O-N 2.76Å; S53-Y56 PolarHBondContact O-N 3.48Å; S53-K57 WeakPolarHBondContact O-CG 3.27Å; S53-K57 PolarHBondContact O-N 3.3Å
54K95.8Very high93.5Very high137 Ų13760.1 Ų60.160%0.59632%0.319SS*.Hα-helixtrans-68.1-38.7176.1-70176.5-178.2179.70110.8H50 I51 E52 K57 M58H50-K54 WeakPolarHBondContact O-CG 3.26Å; H50-K54 PolarHBondContact O-N 3.23Å; I51-K54 WeakPolarHBondContact O-CB 3.49Å; I51-K54 PolarHBondContact O-N 3.42Å; I51-K54 VanDerWaalsContact O-N 3.07Å; E52-K54 VanDerWaalsContact C-N 3.29Å; E52-K54 PolarHBondContact O-N 2.95Å; K54-K57 PolarHBondContact O-N 3.17Å; K54-M58 WeakPolarHBondContact O-CG 3.38Å; K54-M58 PolarHBondContact O-N 3.46Å
55I97.1Very high94Very high8 Ų857.5 Ų57.54%0.04130%0.303CS..Hα-helixtrans-62.5-49.6175.1-60.5174.5000109.9I51 E52 K57 M58 M59 F124 F150 A153I51-I55 HydrophobicContact CG2-CD1 4.44Å; I51-I55 PolarHBondContact O-N 2.92Å; I51-I55 VanDerWaalsContact O-N 3.09Å; E52-I55 WeakPolarHBondContact O-CB 3.46Å; E52-I55 PolarHBondContact O-N 3.24Å; E52-I55 VanDerWaalsContact O-N 3.08Å; I55-K57 VanDerWaalsContact C-N 3.29Å; I55-K57 PolarHBondContact O-N 3.01Å; I55-M58 HydrophobicContact CB-CE 4.38Å; I55-M58 HydrophobicContact CG1-CE 4.06Å; I55-M58 WeakPolarHBondContact O-CB 3.38Å; I55-M58 PolarHBondContact O-N 3.3Å; I55-M59 HydrophobicContact CG2-CE 4.05Å; I55-M59 HydrophobicContact CG2-CG 4.22Å; I55-M59 VanDerWaalsContact O-CG 3.23Å; I55-M59 WeakPolarHBondContact O-CG 3.1Å; I55-M59 PolarHBondContact O-N 3.16Å; I55-F124 HydrophobicContact CD1-CD1 4.19Å; I55-F124 HydrophobicContact CD1-CE1 3.92Å; I55-F124 HydrophobicContact CG1-CD1 4.46Å; I55-F124 HydrophobicContact CG1-CE1 3.94Å; I55-F124 HydrophobicContact CG1-CZ 4.26Å; I55-F124 HydrophobicContact CG2-CD1 4.45Å; I55-F150 HydrophobicContact CB-CB 4.18Å; I55-F150 HydrophobicContact CD1-CB 4.46Å; I55-F150 HydrophobicContact CG2-CB 3.84Å; I55-F150 HydrophobicContact CG2-CD1 3.96Å; I55-F150 HydrophobicContact CG2-CD2 4.33Å; I55-F150 HydrophobicContact CG2-CG 3.79Å; I55-A153 HydrophobicContact CD1-CB 4.04Å
56Y97.4Very high94.7Very high3 Ų350.3 Ų50.31%0.01227%0.272CS..Hα-helixtrans-55.5-43174.5-83.3-71.8000112.8E52 S53 M58 M59 Q60 I65 P66 I68 M80 D149 F150E52-Y56 HydrophobicContact CG-CD2 4Å; E52-Y56 HydrophobicContact CG-CE2 3.75Å; E52-Y56 WeakPolarHBondContact O-CD2 3.32Å; E52-Y56 PolarHBondContact O-N 3.44Å; E52-Y56 WeakPolarHBondContact OE1-CE2 3.34Å; S53-Y56 PolarHBondContact O-N 3.48Å; Y56-M58 VanDerWaalsContact C-N 3.32Å; Y56-M58 PolarHBondContact O-N 2.59Å; Y56-M59 CarbonylContact O-C 3.48Å; Y56-M59 PolarHBondContact O-N 3.19Å; Y56-Q60 WeakPolarHBondContact O-CG 3.43Å; Y56-Q60 PolarHBondContact O-N 3.28Å; Y56-I65 HydrophobicContact CD1-CG2 4.25Å; Y56-P66 HydrophobicContact CD1-CG 4.2Å; Y56-P66 HydrophobicContact CE1-CG 3.5Å; Y56-I68 HydrophobicContact CD1-CD1 4.39Å; Y56-I68 HydrophobicContact CD1-CG1 4.47Å; Y56-I68 HydrophobicContact CD2-CD1 3.87Å; Y56-I68 HydrophobicContact CD2-CG1 4.28Å; Y56-I68 HydrophobicContact CE2-CD1 4.44Å; Y56-I68 HydrophobicContact CG-CD1 3.84Å; Y56-I68 HydrophobicContact CG-CG1 3.84Å; Y56-M80 HydrophobicContact CD2-CE 4.02Å; Y56-M80 HydrophobicContact CD2-SD 4.12Å; Y56-M80 HydrophobicContact CE2-CE 3.76Å; Y56-M80 HydrophobicContact CE2-SD 4.46Å; Y56-D149 PolarHBondContact OH-N 3.41Å; Y56-F150 AromaticContact CD1-CD2 3.62Å; Y56-F150 HydrophobicContact CD1-CD2 3.62Å; Y56-F150 AromaticContact CD1-CE2 3.61Å; Y56-F150 HydrophobicContact CD1-CE2 3.61Å; Y56-F150 AromaticContact CD2-CD2 3.98Å; Y56-F150 HydrophobicContact CD2-CD2 3.98Å; Y56-F150 AromaticContact CE1-CD2 3.38Å; Y56-F150 HydrophobicContact CE1-CD2 3.38Å; Y56-F150 AromaticContact CE1-CE2 3.36Å; Y56-F150 HydrophobicContact CE1-CE2 3.36Å; Y56-F150 AromaticContact CE2-CD2 3.78Å; Y56-F150 HydrophobicContact CE2-CD2 3.78Å; Y56-F150 AromaticContact CG-CD2 3.91Å; Y56-F150 HydrophobicContact CG-CD2 3.91Å; Y56-F150 HydrophobicContact CG-CE2 4.31Å; Y56-F150 AromaticContact CZ-CD2 3.48Å; Y56-F150 VanDerWaalsContact CZ-CD2 3.48Å; Y56-F150 AromaticContact CZ-CE2 3.93Å
57K96.4Very high95.3Very high129 Ų12948 Ų4856%0.56127%0.266SS*.Hα-helixtrans-58.8-40.5176-75.6177-179.3-177.80112.4S53 K54 I55 M59 Q60S53-K57 WeakPolarHBondContact O-CG 3.27Å; S53-K57 PolarHBondContact O-N 3.3Å; K54-K57 PolarHBondContact O-N 3.17Å; I55-K57 VanDerWaalsContact C-N 3.29Å; I55-K57 PolarHBondContact O-N 3.01Å; K57-M59 VanDerWaalsContact C-N 3.28Å; K57-M59 PolarHBondContact O-N 3.06Å; K57-Q60 PolarHBondContact O-N 2.94Å
58M96.9Very high95.7Very high98 Ų9846 Ų4648%0.48325%0.251SS..Hα-helixtrans-69-25.8174.7-68.8-177.7-70.900113.2K54 I55 Y56 F124K54-M58 WeakPolarHBondContact O-CG 3.38Å; K54-M58 PolarHBondContact O-N 3.46Å; I55-M58 HydrophobicContact CB-CE 4.38Å; I55-M58 HydrophobicContact CG1-CE 4.06Å; I55-M58 WeakPolarHBondContact O-CB 3.38Å; I55-M58 PolarHBondContact O-N 3.3Å; Y56-M58 VanDerWaalsContact C-N 3.32Å; Y56-M58 PolarHBondContact O-N 2.59Å; M58-F124 HydrophobicContact CE-CE1 4.46Å; M58-F124 HydrophobicContact CE-CE2 3.64Å; M58-F124 HydrophobicContact CE-CZ 3.44Å; M58-F124 VanDerWaalsContact CE-CZ 3.44Å; M58-F124 HydrophobicContact SD-CE2 4.17Å; M58-F124 HydrophobicContact SD-CZ 4.35Å
59M97.2Very high95.9Very high0 Ų046.7 Ų46.70%025%0.253CS..Hα-helixtrans-88.2-12.4179.5-62.3-66.4174.600113.5I55 Y56 K57 G62 I65 Y118 I119 K122 F124 F150I55-M59 HydrophobicContact CG2-CE 4.05Å; I55-M59 HydrophobicContact CG2-CG 4.22Å; I55-M59 VanDerWaalsContact O-CG 3.23Å; I55-M59 WeakPolarHBondContact O-CG 3.1Å; I55-M59 PolarHBondContact O-N 3.16Å; Y56-M59 CarbonylContact O-C 3.48Å; Y56-M59 PolarHBondContact O-N 3.19Å; K57-M59 VanDerWaalsContact C-N 3.28Å; K57-M59 PolarHBondContact O-N 3.06Å; M59-G62 PolarHBondContact O-N 2.75Å; M59-I65 HydrophobicContact CB-CG1 4.38Å; M59-I65 HydrophobicContact CB-CG2 3.84Å; M59-Y118 HydrophobicContact CB-CE1 4.32Å; M59-Y118 WeakPolarHBondContact O-CE1 3.34Å; M59-Y118 PolarHBondContact O-OH 3.15Å; M59-Y118 HydrophobicContact SD-CE1 4.12Å; M59-I119 HydrophobicContact CE-CG2 4.05Å; M59-K122 HydrophobicContact CE-CB 3.62Å; M59-K122 HydrophobicContact CE-CG 4.44Å; M59-K122 HydrophobicContact SD-CB 3.44Å; M59-K122 WeakPolarHBondContact SD-CB 3.26Å; M59-K122 HydrophobicContact SD-CG 3.59Å; M59-K122 VanDerWaalsContact SD-CG 3.59Å; M59-F124 HydrophobicContact CE-CB 3.76Å; M59-F124 HydrophobicContact CE-CD2 3.61Å; M59-F124 HydrophobicContact CE-CG 3.92Å; M59-F150 HydrophobicContact CG-CE2 4.42Å; M59-F150 HydrophobicContact CG-CZ 4.19Å
60Q95.7Very high96.1Very high65 Ų6550.2 Ų50.230%0.30427%0.267SS..THydrogen-bonded Turntrans-53.7146.7-177-76.7-56.9-4100112.7Y56 K57 G62 P66Y56-Q60 WeakPolarHBondContact O-CG 3.43Å; Y56-Q60 PolarHBondContact O-N 3.28Å; K57-Q60 PolarHBondContact O-N 2.94Å; Q60-G62 PolarHBondContact O-N 2.72Å; Q60-P66 PolarHBondContact NE2-O 3.15Å
61G94.5Very high96.3Very high80 Ų8048 Ų4883%0.82526%0.26SS*.THydrogen-bonded Turntrans82.6-8.1-172.100000114.3
62G97.8Very high96.3Very high10 Ų1043.7 Ų43.710%0.10324%0.24CC..  trans-71.7138.5174.400000113.2M59 Q60 G64 I65 Y118M59-G62 PolarHBondContact O-N 2.75Å; Q60-G62 PolarHBondContact O-N 2.72Å; G62-G64 PolarHBondContact O-N 2.85Å; G62-I65 PolarHBondContact O-N 3.36Å; G62-Y118 WeakPolarHBondContact CA-OH 3.47Å; G62-Y118 PolarHBondContact N-OH 3.44Å
63V98.4Very high96.2Very high93 Ų9346.7 Ų46.756%0.56427%0.266SS*.THydrogen-bonded Turntrans-62.8123.6174.5178.70000109.9R115 L144V63-R115 VanDerWaalsContact O-CD 3.26Å; V63-R115 WeakPolarHBondContact O-CD 3.42Å; V63-R115 VanDerWaalsContact O-CZ 3.31Å; V63-R115 PolarHBondContact O-NE 3.37Å; V63-R115 VanDerWaalsContact O-NE 3.13Å; V63-R115 PolarHBondContact O-NH1 2.94Å; V63-L144 HydrophobicContact CG1-CD1 3.77Å; V63-L144 HydrophobicContact CG1-CD2 4.39Å
64G98.4Very high96Very high3 Ų350 Ų503%0.03128%0.281CS..THydrogen-bonded Turntrans6930.3-178.500000114.3G62 Y146 I147G62-G64 PolarHBondContact O-N 2.85Å; G64-Y146 VanDerWaalsContact CA-CD1 3.48Å; G64-Y146 WeakPolarHBondContact O-CA 3.39Å; G64-Y146 WeakPolarHBondContact O-CD1 3.27Å; G64-I147 PolarHBondContact O-N 3.42Å
65I98.6Very high95.7Very high8 Ų847 Ų474%0.04129%0.288CS..  trans-104.7126.2164.4-57.7-58.4000108Y56 M59 G62 Y118 I147 F150Y56-I65 HydrophobicContact CD1-CG2 4.25Å; M59-I65 HydrophobicContact CB-CG1 4.38Å; M59-I65 HydrophobicContact CB-CG2 3.84Å; G62-I65 PolarHBondContact O-N 3.36Å; I65-Y118 HydrophobicContact CD1-CD1 4.08Å; I65-Y118 HydrophobicContact CD1-CE1 4.23Å; I65-Y118 HydrophobicContact CG1-CD1 3.94Å; I65-Y118 HydrophobicContact CG1-CE1 3.7Å; I65-I147 HydrophobicContact CD1-CG2 3.77Å; I65-F150 HydrophobicContact CD1-CZ 4.12Å
66P97.4Very high95.4Very high1 Ų150.3 Ų50.31%0.00631%0.306CS..PPolyproline II helixtrans-68.7146.917929.4-35.2000111.4Y56 Q60 E83 L85 I147 I148Y56-P66 HydrophobicContact CD1-CG 4.2Å; Y56-P66 HydrophobicContact CE1-CG 3.5Å; Q60-P66 PolarHBondContact NE2-O 3.15Å; P66-E83 HydrophobicContact CB-CB 4.27Å; P66-L85 HydrophobicContact CB-CD1 4.18Å; P66-I147 WeakPolarHBondContact CD-O 3.23Å; P66-I148 HydrophobicContact CG-CG2 4.15Å
67T96.6Very high95.3Very high62 Ų6255.5 Ų55.538%0.3833%0.326SS..PPolyproline II helixtrans-77.2130.6178.5-49.60000110.9M82 E83T67-M82 CarbonylContact O-C 3.58Å; T67-M82 VanDerWaalsContact O-CA 3.25Å; T67-M82 WeakPolarHBondContact O-CA 3.21Å; T67-E83 PolarHBondContact N-OE2 3.25Å; T67-E83 PolarHBondContact O-N 3.23Å; T67-E83 PolarHBondContact OG1-OE2 3.11Å
68I95.8Very high95.2Very high24 Ų2450 Ų5012%0.12330%0.303CS..EExtended strand (participates in β ladder)trans-83.2122.9167.3-63.3-58.7000109Y56 M80 M82Y56-I68 HydrophobicContact CD1-CD1 4.39Å; Y56-I68 HydrophobicContact CD1-CG1 4.47Å; Y56-I68 HydrophobicContact CD2-CD1 3.87Å; Y56-I68 HydrophobicContact CD2-CG1 4.28Å; Y56-I68 HydrophobicContact CE2-CD1 4.44Å; Y56-I68 HydrophobicContact CG-CD1 3.84Å; Y56-I68 HydrophobicContact CG-CG1 3.84Å; I68-M80 HydrophobicContact CD1-CE 4.4Å; I68-M80 HydrophobicContact CD1-CG 3.76Å; I68-M80 HydrophobicContact CD1-SD 3.61Å; I68-M82 HydrophobicContact CD1-CB 3.85Å; I68-M82 HydrophobicContact CD1-CE 4.21Å
69K94.9Very high95.1Very high68 Ų6845.4 Ų45.430%0.29628%0.28SS..EExtended strand (participates in β ladder)trans-92.1-39178.9-66.1179.1-178.7-87.50111.8E33 V35 V81E33-K69 WeakPolarHBondContact OE1-CE 3.21Å; E33-K69 IonicContact OE1-NZ 2.8Å; E33-K69 PolarHBondContact OE1-NZ 2.9Å; E33-K69 IonicContact OE2-NZ 3.98Å; E33-K69 PolarHBondContact OE2-NZ 3.4Å; V35-K69 HydrophobicContact CG1-CD 3.63Å; K69-V81 HydrophobicContact CB-CB 4.49Å; K69-V81 HydrophobicContact CB-CG1 4.18Å; K69-V81 PolarHBondContact N-O 2.85Å
70W95.4Very high95.1Very high75 Ų7545.4 Ų45.428%0.28428%0.28SS..EExtended strand (participates in β ladder)trans-158.8152.4-179.1-175.284.4000111.5V5 Y9 V79 V81V5-W70 HydrophobicContact CG1-CE3 4.04Å; V5-W70 HydrophobicContact CG1-CH2 3.91Å; V5-W70 HydrophobicContact CG1-CZ3 3.31Å; Y9-W70 HydrophobicContact CE2-CB 3.64Å; Y9-W70 HydrophobicContact CE2-CD2 4.38Å; Y9-W70 AromaticContact CE2-CG 3.96Å; Y9-W70 HydrophobicContact CE2-CG 3.96Å; W70-V79 HydrophobicContact CZ3-CB 3.87Å; W70-V79 HydrophobicContact CZ3-CG1 4.09Å; W70-V81 HydrophobicContact CB-CB 4.17Å; W70-V81 HydrophobicContact CB-CG2 4.35Å; W70-V81 HydrophobicContact CE3-CG2 3.97Å; W70-V81 PolarHBondContact N-O 2.59Å; W70-V81 PolarHBondContact O-N 3.03Å
71C94.8Very high95.1Very high32 Ų3242.3 Ų42.322%0.21627%0.266CS..EExtended strand (participates in β ladder)trans-147.8136.6171.5-1740000108.8V79C71-V79 VanDerWaalsContact CA-O 3.26Å; C71-V79 WeakPolarHBondContact CA-O 3.37Å
72G93.6Very high95.2Very high13 Ų1339.3 Ų39.313%0.13423%0.231CC..EExtended strand (participates in β ladder)trans-174.5-170.5179.700000112.2V79G72-V79 PolarHBondContact N-O 3.37Å; G72-V79 PolarHBondContact O-N 3.24Å
73A92.6Very high95.2Very high66 Ų6640.4 Ų40.455%0.54523%0.233SC..EExtended strand (participates in β ladder)trans-111.7140.5173.900000109.9Y77A73-Y77 CarbonylContact C-O 3.52Å; A73-Y77 WeakPolarHBondContact CA-O 3.39Å
74E91.1Very high95.1Very high76 Ų7637.5 Ų37.536%0.35521%0.214SC..EExtended strand (participates in β ladder)trans-141.1110.1177.6-168.177-128.700108.4G6 D76 Y77 V79G6-E74 PolarHBondContact N-OE2 2.89Å; E74-D76 PolarHBondContact O-N 2.9Å; E74-Y77 PolarHBondContact N-O 3.26Å; E74-Y77 PolarHBondContact O-N 3.1Å; E74-Y77 VanDerWaalsContact O-N 3.08Å; E74-V79 HydrophobicContact CB-CG2 4.05Å
75G89.3Confident95.1Very high72 Ų7238.3 Ų38.374%0.74222%0.218SC*.THydrogen-bonded Turntrans55.5-126.1-173.400000112.6Y77G75-Y77 PolarHBondContact O-N 3.01Å
76D91.6Very high95Very high79 Ų7938.1 Ų38.142%0.42222%0.218SC..THydrogen-bonded Turntrans-83.614179.6-85.1-13.4000113.6C41 V42 K43 E74C41-D76 WeakPolarHBondContact CA-O 3.39Å; V42-D76 WeakPolarHBondContact CG2-O 3.26Å; V42-D76 PolarHBondContact N-O 3.16Å; K43-D76 IonicContact NZ-OD1 3.66Å; K43-D76 IonicContact NZ-OD2 3.56Å; K43-D76 PolarHBondContact NZ-OD2 3.13Å; E74-D76 PolarHBondContact O-N 2.9Å
77Y93.7Very high95Very high111 Ų11138.7 Ų38.744%0.43522%0.222SC..EExtended strand (participates in β ladder)trans-128.3136.3-175.4-63.5-88.6000113.7L39 E40 C41 A73 E74 G75L39-Y77 HydrophobicContact CB-CD1 4.09Å; E40-Y77 CarbonylContact O-C 3.19Å; E40-Y77 VanDerWaalsContact O-CA 3.3Å; E40-Y77 WeakPolarHBondContact O-CA 3.29Å; C41-Y77 HydrophobicContact CB-CD1 4.33Å; C41-Y77 HydrophobicContact CB-CE1 4.14Å; A73-Y77 CarbonylContact C-O 3.52Å; A73-Y77 WeakPolarHBondContact CA-O 3.39Å; E74-Y77 PolarHBondContact N-O 3.26Å; E74-Y77 PolarHBondContact O-N 3.1Å; E74-Y77 VanDerWaalsContact O-N 3.08Å; G75-Y77 PolarHBondContact O-N 3.01Å
78N94.5Very high95.1Very high14 Ų1436.2 Ų36.28%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-76.9138.6153.4-61.6-36.1000107.9E40 L49 H50E40-N78 HydrophobicContact CB-CB 4.28Å; E40-N78 PolarHBondContact N-O 3.37Å; E40-N78 PolarHBondContact O-N 3.01Å; E40-N78 PolarHBondContact OE2-ND2 3.28Å; L49-N78 HydrophobicContact CB-CB 4.2Å; L49-N78 HydrophobicContact CD2-CB 3.93Å; L49-N78 VanDerWaalsContact CD2-O 3.3Å; L49-N78 WeakPolarHBondContact CD2-O 3.22Å; H50-N78 VanDerWaalsContact CE1-CG 3.49Å; H50-N78 PolarHBondContact CE1-OD1 3.4Å
79V95.8Very high95.2Very high1 Ų135 Ų351%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-133.7134.6-173.9-172.90000110.8V5 I37 K38 L39 W70 C71 G72 E74 V81V5-V79 HydrophobicContact CB-CG1 4.45Å; V5-V79 HydrophobicContact CG1-CB 3.96Å; V5-V79 HydrophobicContact CG1-CG1 3.45Å; V5-V79 VanDerWaalsContact CG1-CG1 3.45Å; V5-V79 HydrophobicContact CG1-CG2 4.17Å; V5-V79 HydrophobicContact CG2-CG1 4.28Å; I37-V79 HydrophobicContact CG2-CG1 3.47Å; I37-V79 VanDerWaalsContact CG2-CG1 3.47Å; K38-V79 WeakPolarHBondContact O-CA 3.31Å; L39-V79 HydrophobicContact CD2-CB 3.87Å; L39-V79 HydrophobicContact CD2-CG1 3.49Å; L39-V79 VanDerWaalsContact CD2-CG1 3.49Å; L39-V79 HydrophobicContact CD2-CG2 3.39Å; W70-V79 HydrophobicContact CZ3-CB 3.87Å; W70-V79 HydrophobicContact CZ3-CG1 4.09Å; C71-V79 VanDerWaalsContact CA-O 3.26Å; C71-V79 WeakPolarHBondContact CA-O 3.37Å; G72-V79 PolarHBondContact N-O 3.37Å; G72-V79 PolarHBondContact O-N 3.24Å; E74-V79 HydrophobicContact CB-CG2 4.05Å; V79-V81 HydrophobicContact CG1-CG2 4.46Å
80M96.1Very high95.4Very high0 Ų032.9 Ų32.90%019%0.192CC..EExtended strand (participates in β ladder)trans-129.3119.3175.9-177.6166.868.800109.9K38 L49 E52 Y56 I68 M82K38-M80 HydrophobicContact CB-CB 4.45Å; K38-M80 HydrophobicContact CD-CE 4.12Å; K38-M80 PolarHBondContact N-O 2.96Å; K38-M80 PolarHBondContact O-N 3.39Å; L49-M80 HydrophobicContact CD1-CB 3.97Å; L49-M80 HydrophobicContact CD1-CE 3.61Å; L49-M80 HydrophobicContact CD1-SD 4.34Å; L49-M80 HydrophobicContact CD2-CB 3.96Å; L49-M80 HydrophobicContact CG-CB 3.96Å; E52-M80 HydrophobicContact CG-CE 4.06Å; Y56-M80 HydrophobicContact CD2-CE 4.02Å; Y56-M80 HydrophobicContact CD2-SD 4.12Å; Y56-M80 HydrophobicContact CE2-CE 3.76Å; Y56-M80 HydrophobicContact CE2-SD 4.46Å; I68-M80 HydrophobicContact CD1-CE 4.4Å; I68-M80 HydrophobicContact CD1-CG 3.76Å; I68-M80 HydrophobicContact CD1-SD 3.61Å; M80-M82 HydrophobicContact CB-CE 4.4Å; M80-M82 HydrophobicContact CE-CE 3.24Å; M80-M82 HydrophobicContact CG-CE 3.78Å; M80-M82 HydrophobicContact SD-CE 4.11Å
81V96.6Very high95.5Very high0 Ų033.3 Ų33.30%020%0.2CC..EExtended strand (participates in β ladder)trans-101.3129.7178.8-175.30000109.2Y9 V35 A36 I37 K69 W70 V79Y9-V81 HydrophobicContact CD1-CG1 3.8Å; Y9-V81 HydrophobicContact CD1-CG2 4.45Å; Y9-V81 HydrophobicContact CD2-CG2 3.85Å; Y9-V81 HydrophobicContact CE1-CG1 3.75Å; Y9-V81 HydrophobicContact CE2-CB 4.49Å; Y9-V81 HydrophobicContact CE2-CG1 4.49Å; Y9-V81 HydrophobicContact CE2-CG2 4.14Å; Y9-V81 HydrophobicContact CG-CG1 4.19Å; Y9-V81 HydrophobicContact CG-CG2 4Å; V35-V81 HydrophobicContact CB-CG1 3.8Å; V35-V81 HydrophobicContact CG1-CG1 4.16Å; V35-V81 HydrophobicContact CG2-CG1 3.74Å; A36-V81 WeakPolarHBondContact O-CA 3.25Å; I37-V81 HydrophobicContact CG1-CG1 4.42Å; I37-V81 HydrophobicContact CG1-CG2 4.2Å; I37-V81 HydrophobicContact CG2-CG2 4.37Å; K69-V81 HydrophobicContact CB-CB 4.49Å; K69-V81 HydrophobicContact CB-CG1 4.18Å; K69-V81 PolarHBondContact N-O 2.85Å; W70-V81 HydrophobicContact CB-CB 4.17Å; W70-V81 HydrophobicContact CB-CG2 4.35Å; W70-V81 HydrophobicContact CE3-CG2 3.97Å; W70-V81 PolarHBondContact N-O 2.59Å; W70-V81 PolarHBondContact O-N 3.03Å; V79-V81 HydrophobicContact CG1-CG2 4.46Å
82M96.6Very high95.7Very high17 Ų1731.8 Ų31.88%0.08419%0.19CC..EExtended strand (participates in β ladder)trans-139.9164.3-174.564.7-169.266.600112.8A36 K38 T67 I68 M80 L84A36-M82 HydrophobicContact CB-CG 3.81Å; A36-M82 PolarHBondContact N-O 2.87Å; A36-M82 PolarHBondContact O-N 3.11Å; K38-M82 HydrophobicContact CB-CE 4.18Å; T67-M82 CarbonylContact O-C 3.58Å; T67-M82 VanDerWaalsContact O-CA 3.25Å; T67-M82 WeakPolarHBondContact O-CA 3.21Å; I68-M82 HydrophobicContact CD1-CB 3.85Å; I68-M82 HydrophobicContact CD1-CE 4.21Å; M80-M82 HydrophobicContact CB-CE 4.4Å; M80-M82 HydrophobicContact CE-CE 3.24Å; M80-M82 HydrophobicContact CG-CE 3.78Å; M80-M82 HydrophobicContact SD-CE 4.11Å; M82-L84 PolarHBondContact O-N 3.41Å
83E96.9Very high95.9Very high33 Ų3331.2 Ų31.215%0.15418%0.183CC..EExtended strand (participates in β ladder)trans-48.4126.2170.5-177.6175.6-177.300110.2P66 T67 L85 K141 Y146P66-E83 HydrophobicContact CB-CB 4.27Å; T67-E83 PolarHBondContact N-OE2 3.25Å; T67-E83 PolarHBondContact O-N 3.23Å; T67-E83 PolarHBondContact OG1-OE2 3.11Å; E83-L85 HydrophobicContact CG-CD2 4.24Å; E83-K141 IonicContact OE1-NZ 3.95Å; E83-K141 PolarHBondContact OE1-NZ 2.81Å; E83-Y146 PolarHBondContact OE1-OH 3.06Å
84L97.7Very high96.1Very high33 Ų3331.6 Ų31.617%0.17318%0.176CC..  trans-72.8131.3171.9-17666000109.1I15 L25 E34 A36 M82 L138I15-L84 HydrophobicContact CD1-CD1 4.29Å; L25-L84 HydrophobicContact CD1-CD1 4.14Å; L25-L84 HydrophobicContact CD1-CD2 3.64Å; E34-L84 HydrophobicContact CB-CD2 3.64Å; A36-L84 HydrophobicContact CB-CD1 4.11Å; M82-L84 PolarHBondContact O-N 3.41Å; L84-L138 HydrophobicContact CB-CD1 4.46Å; L84-L138 HydrophobicContact CD2-CD1 4.38Å; L84-L138 HydrophobicContact CG-CD1 4.16Å; L84-L138 WeakPolarHBondContact O-CD1 3.18Å
85L97.7Very high96.4Very high19 Ų1931.4 Ų31.410%0.09917%0.174CC..  trans-110.4174.3177-62.3178.4000111P66 E83 L135 Y146 I148P66-L85 HydrophobicContact CB-CD1 4.18Å; E83-L85 HydrophobicContact CG-CD2 4.24Å; L85-L135 HydrophobicContact CB-CB 4.08Å; L85-L135 HydrophobicContact CB-CD2 3.83Å; L85-L135 HydrophobicContact CD1-CB 4.04Å; L85-L135 HydrophobicContact CD1-CD2 4.23Å; L85-Y146 HydrophobicContact CD1-CD1 3.89Å; L85-Y146 HydrophobicContact CD1-CG 3.79Å; L85-Y146 HydrophobicContact CD2-CD1 3.78Å; L85-Y146 HydrophobicContact CD2-CD2 3.98Å; L85-Y146 HydrophobicContact CD2-CE1 3.77Å; L85-Y146 HydrophobicContact CD2-CE2 3.98Å; L85-Y146 HydrophobicContact CD2-CG 3.86Å; L85-I148 HydrophobicContact CD1-CG2 3.85Å
86G97.4Very high96.8Very high5 Ų528.4 Ų28.45%0.05214%0.142CC..  trans-79-166.8173.600000113.1L135 M136G86-L135 WeakPolarHBondContact O-CD2 3.49Å; G86-M136 WeakPolarHBondContact CA-O 3.46Å; G86-M136 PolarHBondContact N-O 2.89Å
87P96.8Very high97Very high13 Ų1329.8 Ų29.88%0.08416%0.158CC..  trans-63.7153.9-178.827.4-35.1000112.3D91 L92 L135 M136P87-D91 HydrophobicContact CB-CB 3.93Å; P87-L92 HydrophobicContact CB-CD2 4.3Å; P87-L92 HydrophobicContact CB-CG 4.12Å; P87-L92 HydrophobicContact CG-CD1 4.12Å; P87-L92 HydrophobicContact CG-CD2 3.65Å; P87-L92 HydrophobicContact CG-CG 3.81Å; P87-L135 WeakPolarHBondContact O-CA 3.4Å; P87-M136 PolarHBondContact O-N 3.37Å
88S98.1Very high97.2Very high9 Ų928.3 Ų28.36%0.06315%0.151CC..BIsolated β-bridgetrans-70.3164.5171.672.30000111.6E90 D91 L92 F134S88-E90 PolarHBondContact O-N 3.27Å; S88-E90 PolarHBondContact OG-N 3.39Å; S88-D91 WeakPolarHBondContact CB-OD2 3.45Å; S88-D91 PolarHBondContact N-OD2 2.74Å; S88-D91 PolarHBondContact O-N 3.41Å; S88-D91 PolarHBondContact OG-N 3.26Å; S88-D91 VanDerWaalsContact OG-N 3.12Å; S88-D91 PolarHBondContact OG-OD2 3.2Å; S88-L92 WeakPolarHBondContact O-CG 3.34Å; S88-L92 PolarHBondContact O-N 3.28Å; S88-F134 CarbonylContact C-O 3.39Å; S88-F134 VanDerWaalsContact CA-O 3.27Å; S88-F134 WeakPolarHBondContact CA-O 3.48Å
89L98.7Very high97.1Very high0 Ų035.1 Ų35.10%018%0.18CC..Hα-helixtrans-66.5-27173.3-63.1-174.4000112L92 F93 L108 M112 P131 F134 M136 F206 W290L89-L92 HydrophobicContact CD2-CD1 4.25Å; L89-F93 WeakPolarHBondContact O-CB 3Å; L89-F93 PolarHBondContact O-N 3.41Å; L89-L108 HydrophobicContact CD1-CD1 4.23Å; L89-L108 HydrophobicContact CD1-CD2 3.99Å; L89-L108 HydrophobicContact CD2-CD1 4.21Å; L89-L108 HydrophobicContact CD2-CD2 3.68Å; L89-M112 HydrophobicContact CD1-CE 4.02Å; L89-M112 HydrophobicContact CD1-SD 3.89Å; L89-P131 HydrophobicContact CB-CB 4.36Å; L89-P131 PolarHBondContact N-O 3.15Å; L89-F134 HydrophobicContact CD1-CB 3.54Å; L89-F134 HydrophobicContact CD1-CG 4.27Å; L89-F134 HydrophobicContact CG-CB 3.74Å; L89-F134 PolarHBondContact N-O 3.05Å; L89-M136 HydrophobicContact CD2-CG 4.42Å; L89-M136 HydrophobicContact CD2-SD 4.07Å; L89-F206 HydrophobicContact CB-CE1 4.43Å; L89-F206 HydrophobicContact CB-CZ 3.8Å; L89-F206 HydrophobicContact CD1-CE2 4.2Å; L89-F206 HydrophobicContact CD1-CZ 4.1Å; L89-W290 HydrophobicContact CD2-CH2 4.36Å
90E98.3Very high97.3Very high22 Ų2235.6 Ų35.610%0.10318%0.182CC..Hα-helixtrans-67.9-43.1172.1-173.858.2-154.800111.3S88 L92 F93 N94 R98 P131 Y205S88-E90 PolarHBondContact O-N 3.27Å; S88-E90 PolarHBondContact OG-N 3.39Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.98Å; E90-F93 PolarHBondContact O-N 3.18Å; E90-N94 PolarHBondContact O-N 3.17Å; E90-N94 PolarHBondContact O-ND2 3.28Å; E90-N94 PolarHBondContact OE1-ND2 2.8Å; E90-R98 IonicContact OE1-NH1 3.15Å; E90-R98 PolarHBondContact OE1-NH1 3.41Å; E90-P131 HydrophobicContact CB-CB 3.97Å; E90-Y205 PolarHBondContact OE1-OH 3.26Å; E90-Y205 VanDerWaalsContact OE2-CE1 3.27Å; E90-Y205 WeakPolarHBondContact OE2-CE1 3.43Å; E90-Y205 PolarHBondContact OE2-OH 3.44Å
91D97.4Very high97.4Very high84 Ų8437.8 Ų37.845%0.44920%0.198SC..Hα-helixtrans-60.7-45.7176.2-61-45.6000111P87 S88 F93 N94 F95P87-D91 HydrophobicContact CB-CB 3.93Å; S88-D91 WeakPolarHBondContact CB-OD2 3.45Å; S88-D91 PolarHBondContact N-OD2 2.74Å; S88-D91 PolarHBondContact O-N 3.41Å; S88-D91 PolarHBondContact OG-N 3.26Å; S88-D91 VanDerWaalsContact OG-N 3.12Å; S88-D91 PolarHBondContact OG-OD2 3.2Å; D91-F93 VanDerWaalsContact C-N 3.32Å; D91-F93 PolarHBondContact O-N 3.15Å; D91-N94 PolarHBondContact O-N 3.19Å; D91-F95 WeakPolarHBondContact O-CB 3.25Å; D91-F95 PolarHBondContact O-N 3.16Å
92L98.4Very high97.5Very high1 Ų139.7 Ų39.71%0.00521%0.208CC..Hα-helixtrans-66.7-34.6177.8-70.4171.8000112.2P87 S88 L89 E90 F95 C96 F100 M136 W290P87-L92 HydrophobicContact CB-CD2 4.3Å; P87-L92 HydrophobicContact CB-CG 4.12Å; P87-L92 HydrophobicContact CG-CD1 4.12Å; P87-L92 HydrophobicContact CG-CD2 3.65Å; P87-L92 HydrophobicContact CG-CG 3.81Å; S88-L92 WeakPolarHBondContact O-CG 3.34Å; S88-L92 PolarHBondContact O-N 3.28Å; L89-L92 HydrophobicContact CD2-CD1 4.25Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.98Å; L92-F95 PolarHBondContact O-N 3.3Å; L92-C96 WeakPolarHBondContact O-CB 3.47Å; L92-C96 PolarHBondContact O-N 3.03Å; L92-C96 PolarHBondContact O-SG 3.33Å; L92-F100 HydrophobicContact CB-CZ 4.23Å; L92-M136 HydrophobicContact CD1-CB 4.43Å; L92-M136 HydrophobicContact CD1-CG 3.43Å; L92-M136 VanDerWaalsContact CD1-CG 3.43Å; L92-W290 HydrophobicContact CB-CD2 4.31Å; L92-W290 HydrophobicContact CB-CE3 3.88Å; L92-W290 HydrophobicContact CB-CZ3 4.21Å; L92-W290 HydrophobicContact CD1-CD2 3.89Å; L92-W290 HydrophobicContact CD1-CE3 4.03Å; L92-W290 HydrophobicContact CD1-CH2 4.02Å; L92-W290 HydrophobicContact CD1-CZ2 3.87Å; L92-W290 HydrophobicContact CD1-CZ3 4.09Å; L92-W290 HydrophobicContact CD2-CB 3.97Å; L92-W290 HydrophobicContact CD2-CD2 3.87Å; L92-W290 HydrophobicContact CD2-CE3 4.3Å; L92-W290 HydrophobicContact CD2-CG 3.73Å; L92-W290 HydrophobicContact CG-CD2 4.25Å; L92-W290 HydrophobicContact CG-CE3 4.3Å
93F98.4Very high97.6Very high0 Ų040.5 Ų40.50%021%0.211CC..Hα-helixtrans-65.6-45.5175.3-170.2-127.1000111.1L89 E90 D91 F95 C96 S97 R98 F100 Y205 F206L89-F93 WeakPolarHBondContact O-CB 3Å; L89-F93 PolarHBondContact O-N 3.41Å; E90-F93 PolarHBondContact O-N 3.18Å; D91-F93 VanDerWaalsContact C-N 3.32Å; D91-F93 PolarHBondContact O-N 3.15Å; F93-F95 VanDerWaalsContact C-N 3.34Å; F93-F95 PolarHBondContact O-N 3.27Å; F93-C96 CarbonylContact O-C 3.54Å; F93-C96 PolarHBondContact O-N 3.06Å; F93-S97 PolarHBondContact O-N 2.93Å; F93-R98 HydrophobicContact CD1-CB 4.12Å; F93-R98 HydrophobicContact CD1-CG 4.3Å; F93-R98 HydrophobicContact CE1-CB 3.81Å; F93-R98 HydrophobicContact CE1-CG 4.39Å; F93-R98 WeakPolarHBondContact CE2-O 3.46Å; F93-R98 HydrophobicContact CZ-CB 4.16Å; F93-R98 WeakPolarHBondContact CZ-O 3.21Å; F93-R98 VanDerWaalsContact O-CA 3.24Å; F93-R98 WeakPolarHBondContact O-CA 3.29Å; F93-R98 PolarHBondContact O-N 3.37Å; F93-F100 VanDerWaalsContact CA-CZ 3.4Å; F93-F100 HydrophobicContact CB-CE1 4.32Å; F93-F100 HydrophobicContact CB-CE2 3.99Å; F93-F100 HydrophobicContact CB-CZ 3.71Å; F93-F100 AromaticContact CD2-CD1 3.99Å; F93-F100 HydrophobicContact CD2-CD1 3.99Å; F93-F100 AromaticContact CD2-CD2 3.65Å; F93-F100 HydrophobicContact CD2-CD2 3.65Å; F93-F100 AromaticContact CD2-CE1 3.98Å; F93-F100 HydrophobicContact CD2-CE1 3.98Å; F93-F100 AromaticContact CD2-CE2 3.64Å; F93-F100 HydrophobicContact CD2-CE2 3.64Å; F93-F100 AromaticContact CD2-CG 3.82Å; F93-F100 HydrophobicContact CD2-CG 3.82Å; F93-F100 AromaticContact CD2-CZ 3.81Å; F93-F100 HydrophobicContact CD2-CZ 3.81Å; F93-F100 HydrophobicContact CE2-CD2 4.13Å; F93-F100 HydrophobicContact CE2-CG 4.17Å; F93-F100 HydrophobicContact CG-CE2 4.24Å; F93-F100 HydrophobicContact CG-CZ 4.27Å; F93-Y205 AromaticContact CD1-CE1 3.79Å; F93-Y205 HydrophobicContact CD1-CE1 3.79Å; F93-Y205 AromaticContact CD1-CZ 3.98Å; F93-Y205 HydrophobicContact CE1-CD1 4.34Å; F93-Y205 AromaticContact CE1-CE1 3.74Å; F93-Y205 HydrophobicContact CE1-CE1 3.74Å; F93-Y205 HydrophobicContact CE1-CE2 4.38Å; F93-Y205 AromaticContact CE1-CZ 3.78Å; F93-F206 HydrophobicContact CB-CD1 4.44Å; F93-F206 HydrophobicContact CB-CE1 4.29Å; F93-F206 HydrophobicContact CD1-CD1 4.37Å; F93-F206 AromaticContact CD2-CD1 3.82Å; F93-F206 HydrophobicContact CD2-CD1 3.82Å; F93-F206 HydrophobicContact CD2-CE1 4.47Å; F93-F206 HydrophobicContact CE2-CB 4.34Å; F93-F206 AromaticContact CE2-CD1 3.99Å; F93-F206 HydrophobicContact CE2-CD1 3.99Å; F93-F206 WeakPolarHBondContact CE2-O 3.48Å; F93-F206 AromaticContact CG-CD1 3.99Å; F93-F206 HydrophobicContact CG-CD1 3.99Å; F93-F206 HydrophobicContact CG-CE1 4.28Å; F93-F206 HydrophobicContact CZ-CD1 4.31Å
94N97.7Very high97.7Very high74 Ų7438.9 Ų38.940%0.39620%0.203SC..Hα-helixtrans-62.6-40.6173.9-70.5-47.7000111.8E90 D91 C96 S97 R98E90-N94 PolarHBondContact O-N 3.17Å; E90-N94 PolarHBondContact O-ND2 3.28Å; E90-N94 PolarHBondContact OE1-ND2 2.8Å; D91-N94 PolarHBondContact O-N 3.19Å; N94-C96 VanDerWaalsContact C-N 3.26Å; N94-C96 PolarHBondContact O-N 3.4Å; N94-S97 PolarHBondContact O-N 3.4Å; N94-R98 WeakPolarHBondContact OD1-CG 3.37Å; N94-R98 PolarHBondContact OD1-NH1 2.84Å
95F96.4Very high97.7Very high72 Ų7237.3 Ų37.332%0.31620%0.195SC..Hα-helixtrans-60.9-34.7174.2179.5-109.2000112.7D91 L92 F93 S97 W290 L293 K294 L363D91-F95 WeakPolarHBondContact O-CB 3.25Å; D91-F95 PolarHBondContact O-N 3.16Å; L92-F95 PolarHBondContact O-N 3.3Å; F93-F95 VanDerWaalsContact C-N 3.34Å; F93-F95 PolarHBondContact O-N 3.27Å; F95-S97 PolarHBondContact O-N 3.16Å; F95-W290 HydrophobicContact CD1-CB 3.87Å; F95-W290 HydrophobicContact CE1-CB 4.02Å; F95-L293 HydrophobicContact CD1-CD1 4.23Å; F95-L293 HydrophobicContact CE1-CB 3.74Å; F95-L293 HydrophobicContact CE1-CD1 4.02Å; F95-L293 HydrophobicContact CZ-CB 4.05Å; F95-K294 HydrophobicContact CE1-CG 4.48Å; F95-K294 HydrophobicContact CZ-CG 4.5Å; F95-L363 HydrophobicContact CD2-CD2 3.41Å; F95-L363 VanDerWaalsContact CD2-CD2 3.41Å; F95-L363 HydrophobicContact CE2-CD2 3.67Å; F95-L363 HydrophobicContact CG-CD2 3.99Å; F95-L363 HydrophobicContact CZ-CD2 4.42Å
96C97Very high97.8Very high10 Ų1036.7 Ų36.77%0.06819%0.192CC..THydrogen-bonded Turntrans-87.626.9174.2-57.70000112.6L92 F93 N94 R98 K99 F100 L293L92-C96 WeakPolarHBondContact O-CB 3.47Å; L92-C96 PolarHBondContact O-N 3.03Å; L92-C96 PolarHBondContact O-SG 3.33Å; F93-C96 CarbonylContact O-C 3.54Å; F93-C96 PolarHBondContact O-N 3.06Å; N94-C96 VanDerWaalsContact C-N 3.26Å; N94-C96 PolarHBondContact O-N 3.4Å; C96-R98 PolarHBondContact O-N 3.41Å; C96-R98 VanDerWaalsContact O-N 3.15Å; C96-K99 PolarHBondContact O-N 2.94Å; C96-K99 VanDerWaalsContact O-O 3.13Å; C96-F100 HydrophobicContact CB-CD1 3.9Å; C96-F100 HydrophobicContact CB-CE1 3.77Å; C96-L293 HydrophobicContact CB-CD1 4.27Å
97S96.8Very high97.9Very high107 Ų10736.5 Ų36.575%0.74819%0.189SC*.THydrogen-bonded Turntrans54.535.7178.6-53.20000113.8F93 N94 F95 K99F93-S97 PolarHBondContact O-N 2.93Å; N94-S97 PolarHBondContact O-N 3.4Å; F95-S97 PolarHBondContact O-N 3.16Å; S97-K99 PolarHBondContact O-N 3.39Å
98R97.3Very high98Very high81 Ų8135.9 Ų35.931%0.30619%0.185SC..THydrogen-bonded Turntrans5834.9178.3-54.9-176.258.872.58.8113.7E90 F93 N94 C96 Y205 G209E90-R98 IonicContact OE1-NH1 3.15Å; E90-R98 PolarHBondContact OE1-NH1 3.41Å; F93-R98 HydrophobicContact CD1-CB 4.12Å; F93-R98 HydrophobicContact CD1-CG 4.3Å; F93-R98 HydrophobicContact CE1-CB 3.81Å; F93-R98 HydrophobicContact CE1-CG 4.39Å; F93-R98 WeakPolarHBondContact CE2-O 3.46Å; F93-R98 HydrophobicContact CZ-CB 4.16Å; F93-R98 WeakPolarHBondContact CZ-O 3.21Å; F93-R98 VanDerWaalsContact O-CA 3.24Å; F93-R98 WeakPolarHBondContact O-CA 3.29Å; F93-R98 PolarHBondContact O-N 3.37Å; N94-R98 WeakPolarHBondContact OD1-CG 3.37Å; N94-R98 PolarHBondContact OD1-NH1 2.84Å; C96-R98 PolarHBondContact O-N 3.41Å; C96-R98 VanDerWaalsContact O-N 3.15Å; R98-Y205 PolarHBondContact NH1-OH 3Å; R98-Y205 VanDerWaalsContact NH2-CZ 3.34Å; R98-Y205 PolarHBondContact NH2-OH 2.73Å; R98-G209 PolarHBondContact NH2-O 3.42Å; R98-G209 WeakPolarHBondContact O-CA 3.44Å
99K93.8Very high98Very high157 Ų15735.4 Ų35.468%0.68318%0.182SC*.  trans-143.3119174.6-171.2175.4-177.7178.80109.5C96 S97C96-K99 PolarHBondContact O-N 2.94Å; C96-K99 VanDerWaalsContact O-O 3.13Å; S97-K99 PolarHBondContact O-N 3.39Å
100F98.6Very high98Very high10 Ų1036 Ų364%0.04419%0.185CC..  trans-99.1148.8167.7-71.2-31.1000110.7L92 F93 C96 T104 V105 L108 F206 D289 W290L92-F100 HydrophobicContact CB-CZ 4.23Å; F93-F100 VanDerWaalsContact CA-CZ 3.4Å; F93-F100 HydrophobicContact CB-CE1 4.32Å; F93-F100 HydrophobicContact CB-CE2 3.99Å; F93-F100 HydrophobicContact CB-CZ 3.71Å; F93-F100 AromaticContact CD2-CD1 3.99Å; F93-F100 HydrophobicContact CD2-CD1 3.99Å; F93-F100 AromaticContact CD2-CD2 3.65Å; F93-F100 HydrophobicContact CD2-CD2 3.65Å; F93-F100 AromaticContact CD2-CE1 3.98Å; F93-F100 HydrophobicContact CD2-CE1 3.98Å; F93-F100 AromaticContact CD2-CE2 3.64Å; F93-F100 HydrophobicContact CD2-CE2 3.64Å; F93-F100 AromaticContact CD2-CG 3.82Å; F93-F100 HydrophobicContact CD2-CG 3.82Å; F93-F100 AromaticContact CD2-CZ 3.81Å; F93-F100 HydrophobicContact CD2-CZ 3.81Å; F93-F100 HydrophobicContact CE2-CD2 4.13Å; F93-F100 HydrophobicContact CE2-CG 4.17Å; F93-F100 HydrophobicContact CG-CE2 4.24Å; F93-F100 HydrophobicContact CG-CZ 4.27Å; C96-F100 HydrophobicContact CB-CD1 3.9Å; C96-F100 HydrophobicContact CB-CE1 3.77Å; F100-T104 HydrophobicContact CB-CG2 3.93Å; F100-T104 HydrophobicContact CD1-CG2 3.92Å; F100-T104 HydrophobicContact CD2-CG2 4Å; F100-T104 HydrophobicContact CE1-CG2 4.42Å; F100-T104 HydrophobicContact CG-CG2 3.7Å; F100-V105 HydrophobicContact CB-CG2 3.79Å; F100-L108 HydrophobicContact CD2-CD1 4.27Å; F100-L108 HydrophobicContact CE2-CD1 4.07Å; F100-F206 HydrophobicContact CD2-CB 3.86Å; F100-F206 AromaticContact CD2-CD1 3.75Å; F100-F206 HydrophobicContact CD2-CD1 3.75Å; F100-F206 HydrophobicContact CD2-CD2 4.34Å; F100-F206 HydrophobicContact CD2-CE1 4.38Å; F100-F206 AromaticContact CD2-CG 3.74Å; F100-F206 HydrophobicContact CD2-CG 3.74Å; F100-F206 AromaticContact CE2-CD1 3.66Å; F100-F206 HydrophobicContact CE2-CD1 3.66Å; F100-F206 HydrophobicContact CE2-CD2 4.49Å; F100-F206 AromaticContact CE2-CE1 3.84Å; F100-F206 HydrophobicContact CE2-CE1 3.84Å; F100-F206 HydrophobicContact CE2-CG 4.03Å; F100-F206 HydrophobicContact CE2-CZ 4.32Å; F100-D289 WeakPolarHBondContact CA-OD2 3.49Å; F100-D289 WeakPolarHBondContact CD1-OD2 3.43Å; F100-W290 AromaticContact CE1-CE3 3.94Å; F100-W290 HydrophobicContact CE1-CE3 3.94Å; F100-W290 AromaticContact CE1-CZ3 3.91Å; F100-W290 HydrophobicContact CE1-CZ3 3.91Å; F100-W290 HydrophobicContact CE2-CZ3 4.5Å; F100-W290 HydrophobicContact CZ-CE3 4.2Å; F100-W290 AromaticContact CZ-CZ3 3.82Å; F100-W290 HydrophobicContact CZ-CZ3 3.82Å
101S98.6Very high98Very high47 Ų4735.7 Ų35.733%0.32918%0.184SC..  trans-68.5154.4166.371.10000110.1K103 T104 V105 D289S101-K103 PolarHBondContact O-N 3.48Å; S101-T104 PolarHBondContact O-N 2.92Å; S101-T104 VanDerWaalsContact O-N 3.11Å; S101-T104 PolarHBondContact OG-N 3.27Å; S101-T104 PolarHBondContact OG-OG1 3.23Å; S101-V105 PolarHBondContact O-N 3.47Å; S101-D289 VanDerWaalsContact CB-OD1 3.26Å; S101-D289 WeakPolarHBondContact CB-OD1 3.13Å; S101-D289 PolarHBondContact N-OD2 3.05Å; S101-D289 PolarHBondContact OG-OD1 3.17Å; S101-D289 PolarHBondContact OG-OD2 3.22Å
102L98.8Very high98.1Very high39 Ų3931.7 Ų31.720%0.20416%0.162CC..Hα-helixtrans-55.7-40.2174.4-179.962.1000111.2T104 V105 L106 P245 F248 Q280 F282L102-T104 PolarHBondContact O-N 2.9Å; L102-V105 PolarHBondContact O-N 3.45Å; L102-L106 HydrophobicContact CD1-CD1 4.05Å; L102-L106 HydrophobicContact CD1-CD2 4.27Å; L102-L106 HydrophobicContact CD1-CG 3.97Å; L102-L106 HydrophobicContact CD2-CD1 4.45Å; L102-L106 HydrophobicContact CG-CD1 3.85Å; L102-L106 HydrophobicContact CG-CG 4.2Å; L102-L106 VanDerWaalsContact O-CG 3.23Å; L102-L106 WeakPolarHBondContact O-CG 3.28Å; L102-L106 PolarHBondContact O-N 2.99Å; L102-P245 HydrophobicContact CD1-CG 4.15Å; L102-P245 HydrophobicContact CD2-CG 3.88Å; L102-F248 HydrophobicContact CD1-CE2 3.73Å; L102-F248 HydrophobicContact CD1-CZ 3.84Å; L102-Q280 HydrophobicContact CD2-CG 4.16Å; L102-F282 HydrophobicContact CB-CE2 4.34Å; L102-F282 HydrophobicContact CB-CZ 4.4Å; L102-F282 HydrophobicContact CD2-CE2 4.23Å; L102-F282 HydrophobicContact CD2-CZ 4.5Å; L102-F282 HydrophobicContact CG-CE2 4.14Å
103K98.7Very high98.1Very high34 Ų3431.6 Ų31.615%0.14816%0.162CC..Hα-helixtrans-54.2-50.4175.8-176.8-175.2174.3-173.90111.4S101 L106 L107 F277 F282 S283 D285S101-K103 PolarHBondContact O-N 3.48Å; K103-L106 PolarHBondContact O-N 3.18Å; K103-L107 HydrophobicContact CG-CD1 4.27Å; K103-L107 WeakPolarHBondContact O-CG 3.4Å; K103-L107 PolarHBondContact O-N 3.44Å; K103-F277 HydrophobicContact CG-CE2 3.77Å; K103-F277 HydrophobicContact CG-CZ 4.21Å; K103-F282 HydrophobicContact CB-CD1 4.13Å; K103-F282 HydrophobicContact CB-CD2 3.91Å; K103-F282 HydrophobicContact CB-CE1 4.19Å; K103-F282 HydrophobicContact CB-CE2 3.97Å; K103-F282 HydrophobicContact CB-CG 4.01Å; K103-F282 HydrophobicContact CB-CZ 4.12Å; K103-F282 HydrophobicContact CD-CB 4.4Å; K103-F282 HydrophobicContact CD-CD1 4.4Å; K103-F282 HydrophobicContact CD-CG 4.39Å; K103-F282 HydrophobicContact CG-CB 4.16Å; K103-F282 HydrophobicContact CG-CD1 4.33Å; K103-F282 HydrophobicContact CG-CD2 4.2Å; K103-F282 HydrophobicContact CG-CG 3.99Å; K103-S283 WeakPolarHBondContact CE-O 3.37Å; K103-S283 PolarHBondContact NZ-O 3.4Å; K103-D285 WeakPolarHBondContact CE-OD1 3.43Å; K103-D285 IonicContact NZ-OD1 3.17Å; K103-D285 PolarHBondContact NZ-OD1 3.09Å; K103-D285 IonicContact NZ-OD2 4Å; K103-D285 PolarHBondContact NZ-OD2 3.23Å
104T98.8Very high98.2Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-61.6-45.8178.5-72.80000111.7F100 S101 L102 L106 L107 L108 F288 D289 W290F100-T104 HydrophobicContact CB-CG2 3.93Å; F100-T104 HydrophobicContact CD1-CG2 3.92Å; F100-T104 HydrophobicContact CD2-CG2 4Å; F100-T104 HydrophobicContact CE1-CG2 4.42Å; F100-T104 HydrophobicContact CG-CG2 3.7Å; S101-T104 PolarHBondContact O-N 2.92Å; S101-T104 VanDerWaalsContact O-N 3.11Å; S101-T104 PolarHBondContact OG-N 3.27Å; S101-T104 PolarHBondContact OG-OG1 3.23Å; L102-T104 PolarHBondContact O-N 2.9Å; T104-L106 VanDerWaalsContact C-N 3.32Å; T104-L106 PolarHBondContact O-N 3.18Å; T104-L107 PolarHBondContact O-N 3.08Å; T104-L108 HydrophobicContact CG2-CD1 3.92Å; T104-L108 HydrophobicContact CG2-CG 4.48Å; T104-L108 WeakPolarHBondContact O-CB 3.45Å; T104-L108 VanDerWaalsContact O-CG 3.29Å; T104-L108 WeakPolarHBondContact O-CG 3.19Å; T104-L108 PolarHBondContact O-N 2.91Å; T104-F288 HydrophobicContact CG2-CB 4.48Å; T104-F288 HydrophobicContact CG2-CD1 4.16Å; T104-D289 VanDerWaalsContact CB-OD2 3.31Å; T104-D289 WeakPolarHBondContact CB-OD2 3.42Å; T104-D289 PolarHBondContact OG1-N 3.36Å; T104-D289 PolarHBondContact OG1-OD1 3.39Å; T104-D289 PolarHBondContact OG1-OD2 2.88Å; T104-D289 VanDerWaalsContact OG1-OD2 3.11Å; T104-W290 HydrophobicContact CG2-CH2 4.37Å; T104-W290 HydrophobicContact CG2-CZ3 3.84Å
105V98.9Very high98.2Very high0 Ų030.3 Ų30.30%016%0.157CC..Hα-helixtrans-60.6-41.51791770000111.5F100 S101 L102 L108 A109 L203 F206 F248F100-V105 HydrophobicContact CB-CG2 3.79Å; S101-V105 PolarHBondContact O-N 3.47Å; L102-V105 PolarHBondContact O-N 3.45Å; V105-L108 PolarHBondContact O-N 3.02Å; V105-A109 WeakPolarHBondContact O-CB 3.43Å; V105-A109 PolarHBondContact O-N 3.27Å; V105-L203 HydrophobicContact CG1-CB 4.4Å; V105-L203 HydrophobicContact CG1-CD2 4.12Å; V105-F206 HydrophobicContact CG2-CB 3.86Å; V105-F248 HydrophobicContact CG1-CE1 3.85Å; V105-F248 HydrophobicContact CG1-CZ 3.91Å
106L98.9Very high98.3Very high5 Ų526.9 Ų26.93%0.02614%0.142CC..Hα-helixtrans-71.2-39.8179.6-64.1176.8000112.9L102 K103 T104 L108 A109 D110 F248 F273 L276 F277 F282L102-L106 HydrophobicContact CD1-CD1 4.05Å; L102-L106 HydrophobicContact CD1-CD2 4.27Å; L102-L106 HydrophobicContact CD1-CG 3.97Å; L102-L106 HydrophobicContact CD2-CD1 4.45Å; L102-L106 HydrophobicContact CG-CD1 3.85Å; L102-L106 HydrophobicContact CG-CG 4.2Å; L102-L106 VanDerWaalsContact O-CG 3.23Å; L102-L106 WeakPolarHBondContact O-CG 3.28Å; L102-L106 PolarHBondContact O-N 2.99Å; K103-L106 PolarHBondContact O-N 3.18Å; T104-L106 VanDerWaalsContact C-N 3.32Å; T104-L106 PolarHBondContact O-N 3.18Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 3.04Å; L106-A109 PolarHBondContact O-N 3.38Å; L106-D110 PolarHBondContact O-N 3.33Å; L106-F248 HydrophobicContact CD2-CZ 4.13Å; L106-F273 HydrophobicContact CD2-CB 3.85Å; L106-F273 HydrophobicContact CD2-CD1 3.46Å; L106-F273 VanDerWaalsContact CD2-CD1 3.46Å; L106-F273 HydrophobicContact CD2-CE1 4.34Å; L106-F273 HydrophobicContact CD2-CG 3.95Å; L106-L276 HydrophobicContact CD1-CD2 4.01Å; L106-L276 HydrophobicContact CD1-CG 3.99Å; L106-L276 HydrophobicContact CD2-CD2 3.88Å; L106-F277 HydrophobicContact CB-CD2 3.79Å; L106-F277 HydrophobicContact CD1-CB 4.1Å; L106-F277 HydrophobicContact CD1-CD2 4.09Å; L106-F282 HydrophobicContact CD1-CD2 4.42Å; L106-F282 HydrophobicContact CD1-CE2 4.29Å
107L98.8Very high98.4Very high1 Ų129.3 Ų29.31%0.00515%0.152CC..Hα-helixtrans-60.9-41172.9-73.5173.5000111.6K103 T104 F277 Y284 F288K103-L107 HydrophobicContact CG-CD1 4.27Å; K103-L107 WeakPolarHBondContact O-CG 3.4Å; K103-L107 PolarHBondContact O-N 3.44Å; T104-L107 PolarHBondContact O-N 3.08Å; L107-F277 HydrophobicContact CD2-CE2 3.84Å; L107-F277 HydrophobicContact CD2-CZ 3.89Å; L107-F277 HydrophobicContact CG-CE2 3.81Å; L107-F277 HydrophobicContact CG-CZ 4.26Å; L107-Y284 HydrophobicContact CD2-CD2 3.56Å; L107-Y284 HydrophobicContact CD2-CE2 3.51Å; L107-Y284 HydrophobicContact CD2-CG 4.27Å; L107-F288 HydrophobicContact CB-CD1 4.18Å; L107-F288 HydrophobicContact CB-CE1 3.56Å; L107-F288 HydrophobicContact CB-CZ 4.3Å; L107-F288 HydrophobicContact CD1-CD1 4.14Å; L107-F288 HydrophobicContact CD1-CE1 4.09Å; L107-F288 HydrophobicContact CG-CE1 4.47Å
108L98.9Very high98.5Very high0 Ų026.4 Ų26.40%013%0.125CC..Hα-helixtrans-66.8-47.1176.2-72.8174000111.5L89 F100 T104 V105 L106 D110 Q111 M112 V145 F288 W290L89-L108 HydrophobicContact CD1-CD1 4.23Å; L89-L108 HydrophobicContact CD1-CD2 3.99Å; L89-L108 HydrophobicContact CD2-CD1 4.21Å; L89-L108 HydrophobicContact CD2-CD2 3.68Å; F100-L108 HydrophobicContact CD2-CD1 4.27Å; F100-L108 HydrophobicContact CE2-CD1 4.07Å; T104-L108 HydrophobicContact CG2-CD1 3.92Å; T104-L108 HydrophobicContact CG2-CG 4.48Å; T104-L108 WeakPolarHBondContact O-CB 3.45Å; T104-L108 VanDerWaalsContact O-CG 3.29Å; T104-L108 WeakPolarHBondContact O-CG 3.19Å; T104-L108 PolarHBondContact O-N 2.91Å; V105-L108 PolarHBondContact O-N 3.02Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 3.04Å; L108-D110 VanDerWaalsContact C-N 3.28Å; L108-D110 PolarHBondContact O-N 2.89Å; L108-Q111 PolarHBondContact O-N 3.02Å; L108-Q111 VanDerWaalsContact O-N 3.16Å; L108-M112 HydrophobicContact CB-SD 4.03Å; L108-M112 WeakPolarHBondContact O-CB 3.21Å; L108-M112 WeakPolarHBondContact O-CG 3.27Å; L108-M112 PolarHBondContact O-N 2.94Å; L108-V145 HydrophobicContact CD2-CG2 3.61Å; L108-F288 HydrophobicContact CD2-CE1 4Å; L108-F288 HydrophobicContact CG-CD1 4.44Å; L108-F288 HydrophobicContact CG-CE1 4.12Å; L108-W290 HydrophobicContact CD1-CH2 4.34Å; L108-W290 HydrophobicContact CD1-CZ3 4.49Å; L108-W290 HydrophobicContact CD2-CH2 4.17Å
109A98.9Very high98.6Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-53.6-45-179.500000112.1V105 L106 Q111 M112 I113 L203 F273V105-A109 WeakPolarHBondContact O-CB 3.43Å; V105-A109 PolarHBondContact O-N 3.27Å; L106-A109 PolarHBondContact O-N 3.38Å; A109-Q111 PolarHBondContact O-N 3.47Å; A109-M112 PolarHBondContact O-N 3.38Å; A109-I113 WeakPolarHBondContact O-CB 3.17Å; A109-I113 WeakPolarHBondContact O-CD1 3.34Å; A109-I113 VanDerWaalsContact O-CG1 3.22Å; A109-I113 WeakPolarHBondContact O-CG1 3.49Å; A109-I113 PolarHBondContact O-N 2.88Å; A109-L203 HydrophobicContact CB-CD1 3.78Å; A109-L203 HydrophobicContact CB-CD2 3.81Å; A109-L203 HydrophobicContact CB-CG 4.47Å; A109-F273 HydrophobicContact CB-CD2 3.79Å; A109-F273 HydrophobicContact CB-CE2 4.11Å; A109-F273 HydrophobicContact CB-CG 4.27Å
110D98.8Very high98.9Very high12 Ų1215.2 Ų15.26%0.0648%0.079CC..Hα-helixtrans-57.4-46.5179.2-172.260.5000112.8L106 L108 S114 R270 R274 Y284L106-D110 PolarHBondContact O-N 3.33Å; L108-D110 VanDerWaalsContact C-N 3.28Å; L108-D110 PolarHBondContact O-N 2.89Å; D110-S114 PolarHBondContact O-N 3.48Å; D110-S114 PolarHBondContact O-OG 2.98Å; D110-R270 WeakPolarHBondContact OD1-CD 3.44Å; D110-R274 IonicContact OD1-CZ 2.81Å; D110-R274 IonicContact OD1-NE 3.67Å; D110-R274 PolarHBondContact OD1-NE 3.07Å; D110-R274 IonicContact OD1-NH2 2.76Å; D110-R274 PolarHBondContact OD1-NH2 3.27Å; D110-R274 IonicContact OD2-NE 3.06Å; D110-R274 IonicContact OD2-NH2 3.73Å; D110-R274 PolarHBondContact OD2-NH2 3.35Å; D110-Y284 PolarHBondContact OD2-OH 3.36Å
111Q98.9Very high98.9Very high15 Ų1517.7 Ų17.77%0.0710%0.097CC..Hα-helixtrans-73.9-42.3179.2-63.9-166.153.100112L108 A109 I113 S114 R115 N143 V145L108-Q111 PolarHBondContact O-N 3.02Å; L108-Q111 VanDerWaalsContact O-N 3.16Å; A109-Q111 PolarHBondContact O-N 3.47Å; Q111-I113 PolarHBondContact O-N 2.87Å; Q111-S114 CarbonylContact O-C 3.53Å; Q111-S114 WeakPolarHBondContact O-CA 3.07Å; Q111-S114 WeakPolarHBondContact O-CB 3.42Å; Q111-S114 PolarHBondContact O-N 3.25Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; Q111-R115 WeakPolarHBondContact O-CG 3.41Å; Q111-R115 PolarHBondContact O-N 3.45Å; Q111-N143 PolarHBondContact NE2-O 3.49Å; Q111-V145 HydrophobicContact CB-CB 3.98Å; Q111-V145 HydrophobicContact CB-CG2 3.95Å; Q111-V145 HydrophobicContact CG-CG2 4.45Å
112M98.9Very high98.9Very high0 Ų019.2 Ų19.20%010%0.098CC..Hα-helixtrans-63.7-42.2-177.9-67.517083.600111.9L89 L108 A109 S114 R115 I116 F134 V145 L199 V202 L203L89-M112 HydrophobicContact CD1-CE 4.02Å; L89-M112 HydrophobicContact CD1-SD 3.89Å; L108-M112 HydrophobicContact CB-SD 4.03Å; L108-M112 WeakPolarHBondContact O-CB 3.21Å; L108-M112 WeakPolarHBondContact O-CG 3.27Å; L108-M112 PolarHBondContact O-N 2.94Å; A109-M112 PolarHBondContact O-N 3.38Å; M112-S114 VanDerWaalsContact C-N 3.27Å; M112-S114 PolarHBondContact O-N 3.45Å; M112-R115 PolarHBondContact O-N 2.89Å; M112-I116 WeakPolarHBondContact O-CG1 3.4Å; M112-I116 PolarHBondContact O-N 2.89Å; M112-I116 VanDerWaalsContact O-N 3.07Å; M112-F134 HydrophobicContact CB-CE1 4.09Å; M112-F134 HydrophobicContact CB-CZ 4.39Å; M112-F134 HydrophobicContact CE-CD1 4.17Å; M112-F134 HydrophobicContact CE-CD2 3.44Å; M112-F134 VanDerWaalsContact CE-CD2 3.44Å; M112-F134 HydrophobicContact CE-CE1 4.17Å; M112-F134 HydrophobicContact CE-CE2 3.46Å; M112-F134 VanDerWaalsContact CE-CE2 3.46Å; M112-F134 HydrophobicContact CE-CG 3.81Å; M112-F134 HydrophobicContact CE-CZ 3.83Å; M112-F134 HydrophobicContact CG-CD1 3.93Å; M112-F134 HydrophobicContact CG-CE1 3.91Å; M112-F134 HydrophobicContact CG-CG 4.39Å; M112-F134 HydrophobicContact CG-CZ 4.38Å; M112-V145 HydrophobicContact CG-CG1 4.28Å; M112-L199 HydrophobicContact CB-CD1 3.76Å; M112-L199 HydrophobicContact CB-CD2 3.96Å; M112-L199 HydrophobicContact CE-CD1 3.32Å; M112-L199 HydrophobicContact CG-CD1 4.38Å; M112-L199 HydrophobicContact SD-CD1 3.87Å; M112-V202 HydrophobicContact CE-CG1 3.84Å; M112-L203 HydrophobicContact SD-CD2 4.4Å
113I98.9Very high98.9Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-59.1-43.3172.9-65.4164.6000109.9A109 Q111 R115 I116 E117 L199 Y251 Y266 L269 R270 F273A109-I113 WeakPolarHBondContact O-CB 3.17Å; A109-I113 WeakPolarHBondContact O-CD1 3.34Å; A109-I113 VanDerWaalsContact O-CG1 3.22Å; A109-I113 WeakPolarHBondContact O-CG1 3.49Å; A109-I113 PolarHBondContact O-N 2.88Å; Q111-I113 PolarHBondContact O-N 2.87Å; I113-R115 VanDerWaalsContact C-N 3.35Å; I113-R115 PolarHBondContact O-N 3.47Å; I113-I116 PolarHBondContact O-N 3.36Å; I113-E117 WeakPolarHBondContact O-CB 3.39Å; I113-E117 PolarHBondContact O-N 3.07Å; I113-L199 HydrophobicContact CB-CD2 4.44Å; I113-L199 HydrophobicContact CG1-CD2 3.61Å; I113-Y251 HydrophobicContact CD1-CE2 3.91Å; I113-Y251 HydrophobicContact CG1-CE2 4.24Å; I113-Y266 HydrophobicContact CG2-CD1 4.38Å; I113-L269 HydrophobicContact CD1-CB 4.17Å; I113-R270 HydrophobicContact CB-CG 4Å; I113-R270 HydrophobicContact CD1-CG 4.06Å; I113-R270 HydrophobicContact CG2-CG 3.84Å; I113-F273 HydrophobicContact CD1-CD2 4.02Å; I113-F273 HydrophobicContact CD1-CE2 4.18Å
114S98.9Very high98.9Very high32 Ų3217.7 Ų17.722%0.2249%0.09CC..Hα-helixtrans-65.2-34.7179.2-55.30000112.9D110 Q111 M112 Y118 R270D110-S114 PolarHBondContact O-N 3.48Å; D110-S114 PolarHBondContact O-OG 2.98Å; Q111-S114 CarbonylContact O-C 3.53Å; Q111-S114 WeakPolarHBondContact O-CA 3.07Å; Q111-S114 WeakPolarHBondContact O-CB 3.42Å; Q111-S114 PolarHBondContact O-N 3.25Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; M112-S114 VanDerWaalsContact C-N 3.27Å; M112-S114 PolarHBondContact O-N 3.45Å; S114-Y118 WeakPolarHBondContact O-CB 3.41Å; S114-Y118 PolarHBondContact O-N 3.37Å; S114-R270 WeakPolarHBondContact OG-CD 3.5Å; S114-R270 PolarHBondContact OG-NH1 3.23Å
115R98.9Very high98.9Very high14 Ų1417.7 Ų17.75%0.0539%0.09CC..Hα-helixtrans-65-46.4173-64.9-59.2166.2-87.4-9.8111.9V63 Q111 M112 I113 Y118 I119 F134 V145 I147V63-R115 VanDerWaalsContact O-CD 3.26Å; V63-R115 WeakPolarHBondContact O-CD 3.42Å; V63-R115 VanDerWaalsContact O-CZ 3.31Å; V63-R115 PolarHBondContact O-NE 3.37Å; V63-R115 VanDerWaalsContact O-NE 3.13Å; V63-R115 PolarHBondContact O-NH1 2.94Å; Q111-R115 WeakPolarHBondContact O-CG 3.41Å; Q111-R115 PolarHBondContact O-N 3.45Å; M112-R115 PolarHBondContact O-N 2.89Å; I113-R115 VanDerWaalsContact C-N 3.35Å; I113-R115 PolarHBondContact O-N 3.47Å; R115-Y118 PolarHBondContact O-N 3.19Å; R115-I119 WeakPolarHBondContact O-CG1 3.49Å; R115-I119 PolarHBondContact O-N 3.01Å; R115-I119 VanDerWaalsContact O-N 3.09Å; R115-F134 HydrophobicContact CB-CE1 4.34Å; R115-V145 PolarHBondContact NE-O 3.23Å; R115-V145 PolarHBondContact NH2-O 3.01Å; R115-I147 HydrophobicContact CB-CB 4.15Å; R115-I147 HydrophobicContact CB-CG2 3.94Å; R115-I147 HydrophobicContact CG-CB 4.37Å; R115-I147 HydrophobicContact CG-CG2 4.31Å
116I98.9Very high98.9Very high1 Ų117.7 Ų17.71%0.0059%0.09CC..Hα-helixtrans-63.7-45.1178.5-68.2177.4000110.4M112 I113 Y118 I119 H120 V129 D195 L196 L199M112-I116 WeakPolarHBondContact O-CG1 3.4Å; M112-I116 PolarHBondContact O-N 2.89Å; M112-I116 VanDerWaalsContact O-N 3.07Å; I113-I116 PolarHBondContact O-N 3.36Å; I116-Y118 VanDerWaalsContact C-N 3.32Å; I116-Y118 PolarHBondContact O-N 3.26Å; I116-I119 PolarHBondContact O-N 2.83Å; I116-H120 WeakPolarHBondContact CG2-CE1 3.24Å; I116-H120 WeakPolarHBondContact CG2-ND1 3.37Å; I116-H120 PolarHBondContact O-N 2.77Å; I116-H120 PolarHBondContact O-ND1 3.31Å; I116-V129 HydrophobicContact CD1-CG1 4.15Å; I116-V129 HydrophobicContact CD1-CG2 4.09Å; I116-D195 HydrophobicContact CG2-CB 4.01Å; I116-L196 HydrophobicContact CG2-CD2 3.9Å; I116-L196 HydrophobicContact CG2-CG 4.34Å; I116-L199 HydrophobicContact CD1-CB 3.87Å; I116-L199 HydrophobicContact CD1-CD2 3.78Å; I116-L199 HydrophobicContact CD1-CG 4.32Å
117E98.9Very high98.8Very high61 Ų6119.6 Ų19.629%0.28510%0.097SC..Hα-helixtrans-56.5-44.9174.1179.2173.4-156.100111.9I113 I119 H120 S121 Y266 R270I113-E117 WeakPolarHBondContact O-CB 3.39Å; I113-E117 PolarHBondContact O-N 3.07Å; E117-I119 PolarHBondContact O-N 2.64Å; E117-H120 PolarHBondContact O-N 2.92Å; E117-S121 WeakPolarHBondContact O-CB 3.46Å; E117-S121 PolarHBondContact O-N 3.12Å; E117-Y266 HydrophobicContact CB-CD1 3.77Å; E117-Y266 HydrophobicContact CB-CD2 4.09Å; E117-Y266 HydrophobicContact CB-CE1 4.13Å; E117-Y266 HydrophobicContact CB-CE2 4.43Å; E117-Y266 HydrophobicContact CB-CG 3.75Å; E117-Y266 HydrophobicContact CG-CD1 4.21Å; E117-Y266 HydrophobicContact CG-CD2 3.57Å; E117-Y266 HydrophobicContact CG-CE2 3.96Å; E117-Y266 HydrophobicContact CG-CG 3.72Å; E117-Y266 WeakPolarHBondContact OE1-CD2 3.47Å; E117-R270 IonicContact OE1-NH2 3.84Å; E117-R270 IonicContact OE2-CZ 3.94Å; E117-R270 IonicContact OE2-NH1 2.59Å; E117-R270 PolarHBondContact OE2-NH1 2.87Å; E117-R270 IonicContact OE2-NH2 2.72Å; E117-R270 PolarHBondContact OE2-NH2 3.05Å
118Y98.9Very high98.8Very high46 Ų4619.8 Ų19.818%0.1810%0.098CC..Hα-helixtrans-60.3-45.5178.5179.4-100.1000111.9M59 G62 I65 S114 R115 I116 H120 S121 K122M59-Y118 HydrophobicContact CB-CE1 4.32Å; M59-Y118 WeakPolarHBondContact O-CE1 3.34Å; M59-Y118 PolarHBondContact O-OH 3.15Å; M59-Y118 HydrophobicContact SD-CE1 4.12Å; G62-Y118 WeakPolarHBondContact CA-OH 3.47Å; G62-Y118 PolarHBondContact N-OH 3.44Å; I65-Y118 HydrophobicContact CD1-CD1 4.08Å; I65-Y118 HydrophobicContact CD1-CE1 4.23Å; I65-Y118 HydrophobicContact CG1-CD1 3.94Å; I65-Y118 HydrophobicContact CG1-CE1 3.7Å; S114-Y118 WeakPolarHBondContact O-CB 3.41Å; S114-Y118 PolarHBondContact O-N 3.37Å; R115-Y118 PolarHBondContact O-N 3.19Å; I116-Y118 VanDerWaalsContact C-N 3.32Å; I116-Y118 PolarHBondContact O-N 3.26Å; Y118-H120 VanDerWaalsContact C-N 3.33Å; Y118-H120 PolarHBondContact O-N 2.79Å; Y118-S121 WeakPolarHBondContact O-CB 3.36Å; Y118-S121 PolarHBondContact O-N 3.39Å; Y118-S121 VanDerWaalsContact O-N 3.15Å; Y118-S121 PolarHBondContact O-OG 3.18Å; Y118-K122 HydrophobicContact CE1-CG 4.22Å; Y118-K122 PolarHBondContact O-N 3.06Å; Y118-K122 WeakPolarHBondContact OH-CE 3.37Å
119I98.9Very high98.8Very high1 Ų119.9 Ų19.91%0.00510%0.099CC..Hα-helixtrans-60.1-45.3176.5-67.9162.8000110.9M59 R115 I116 E117 S121 K122 N123 F124 I147 F150M59-I119 HydrophobicContact CE-CG2 4.05Å; R115-I119 WeakPolarHBondContact O-CG1 3.49Å; R115-I119 PolarHBondContact O-N 3.01Å; R115-I119 VanDerWaalsContact O-N 3.09Å; I116-I119 PolarHBondContact O-N 2.83Å; E117-I119 PolarHBondContact O-N 2.64Å; I119-S121 VanDerWaalsContact C-N 3.29Å; I119-S121 PolarHBondContact O-N 3.29Å; I119-K122 CarbonylContact O-C 3.52Å; I119-K122 WeakPolarHBondContact O-CA 3.48Å; I119-K122 PolarHBondContact O-N 3.22Å; I119-K122 VanDerWaalsContact O-N 3.07Å; I119-N123 PolarHBondContact O-N 2.71Å; I119-F124 CarbonylContact C-O 3.57Å; I119-F124 HydrophobicContact CG2-CB 3.99Å; I119-F124 WeakPolarHBondContact CG2-O 3.49Å; I119-F124 PolarHBondContact O-N 3.24Å; I119-I147 HydrophobicContact CD1-CD1 3.63Å; I119-I147 HydrophobicContact CD1-CG1 4.37Å; I119-I147 HydrophobicContact CD1-CG2 3.72Å; I119-F150 HydrophobicContact CD1-CE1 3.65Å; I119-F150 HydrophobicContact CD1-CZ 4.03Å; I119-F150 HydrophobicContact CG1-CE1 3.8Å; I119-F150 HydrophobicContact CG1-CZ 4.1Å; I119-F150 HydrophobicContact CG2-CE1 4.32Å
120H98.9Very high98.8Very high2 Ų221 Ų211%0.00910%0.104CC..Hα-helixtrans-62.6-34.9176.4-64.6157000112.8I116 E117 Y118 K122 N123 F124 Y156 R192 D195 Y266I116-H120 WeakPolarHBondContact CG2-CE1 3.24Å; I116-H120 WeakPolarHBondContact CG2-ND1 3.37Å; I116-H120 PolarHBondContact O-N 2.77Å; I116-H120 PolarHBondContact O-ND1 3.31Å; E117-H120 PolarHBondContact O-N 2.92Å; Y118-H120 VanDerWaalsContact C-N 3.33Å; Y118-H120 PolarHBondContact O-N 2.79Å; H120-K122 PolarHBondContact O-N 2.73Å; H120-N123 PolarHBondContact O-N 3.38Å; H120-N123 VanDerWaalsContact O-N 3.12Å; H120-F124 WeakPolarHBondContact CA-O 3.47Å; H120-F124 PolarHBondContact CD2-O 3.07Å; H120-F124 VanDerWaalsContact CD2-O 3.27Å; H120-F124 PolarHBondContact N-O 3.45Å; H120-Y156 HydrophobicContact CB-CE1 4.44Å; H120-Y156 VanDerWaalsContact O-CE1 3.29Å; H120-Y156 WeakPolarHBondContact O-CE1 3.4Å; H120-Y156 PolarHBondContact O-OH 2.94Å; H120-R192 HydrophobicContact CB-CG 4.28Å; H120-R192 PolarHBondContact CE1-O 3.36Å; H120-D195 IonicContact CD2-OD2 3.83Å; H120-D195 IonicContact NE2-OD2 3.64Å; H120-D195 PolarHBondContact NE2-OD2 3.42Å; H120-D195 VanDerWaalsContact NE2-OD2 3.15Å; H120-Y266 WeakPolarHBondContact CB-OH 3.42Å; H120-Y266 AromaticContact ND1-CE1 3.48Å; H120-Y266 WeakPolarHBondContact ND1-CE1 3.3Å; H120-Y266 AromaticContact ND1-CZ 3.5Å; H120-Y266 PolarHBondContact ND1-OH 3.02Å
121S98.7Very high98.8Very high61 Ų6120.5 Ų20.543%0.42710%0.101SC..Hα-helixtrans-64.4-30175.584.30000112E117 Y118 I119 N123 R157E117-S121 WeakPolarHBondContact O-CB 3.46Å; E117-S121 PolarHBondContact O-N 3.12Å; Y118-S121 WeakPolarHBondContact O-CB 3.36Å; Y118-S121 PolarHBondContact O-N 3.39Å; Y118-S121 VanDerWaalsContact O-N 3.15Å; Y118-S121 PolarHBondContact O-OG 3.18Å; I119-S121 VanDerWaalsContact C-N 3.29Å; I119-S121 PolarHBondContact O-N 3.29Å; S121-N123 VanDerWaalsContact C-N 3.26Å; S121-N123 PolarHBondContact O-N 3.02Å; S121-R157 PolarHBondContact O-NH2 3.14Å
122K98.7Very high98.7Very high79 Ų7922.4 Ų22.434%0.34311%0.112SC..THydrogen-bonded Turntrans-87.513.9175.6-62.6-63.8-173174.30113.5M59 Y118 I119 H120 F124M59-K122 HydrophobicContact CE-CB 3.62Å; M59-K122 HydrophobicContact CE-CG 4.44Å; M59-K122 HydrophobicContact SD-CB 3.44Å; M59-K122 WeakPolarHBondContact SD-CB 3.26Å; M59-K122 HydrophobicContact SD-CG 3.59Å; M59-K122 VanDerWaalsContact SD-CG 3.59Å; Y118-K122 HydrophobicContact CE1-CG 4.22Å; Y118-K122 PolarHBondContact O-N 3.06Å; Y118-K122 WeakPolarHBondContact OH-CE 3.37Å; I119-K122 CarbonylContact O-C 3.52Å; I119-K122 WeakPolarHBondContact O-CA 3.48Å; I119-K122 PolarHBondContact O-N 3.22Å; I119-K122 VanDerWaalsContact O-N 3.07Å; H120-K122 PolarHBondContact O-N 2.73Å; K122-F124 VanDerWaalsContact C-N 3.33Å; K122-F124 WeakPolarHBondContact O-CD2 3.34Å; K122-F124 PolarHBondContact O-N 2.91Å
123N98.7Very high98.7Very high21 Ų2122.8 Ų22.811%0.11211%0.114CC..THydrogen-bonded Turntrans7512.2173.3-42.6-54.4000115.5I119 H120 S121 K155 Y156 R157I119-N123 PolarHBondContact O-N 2.71Å; H120-N123 PolarHBondContact O-N 3.38Å; H120-N123 VanDerWaalsContact O-N 3.12Å; S121-N123 VanDerWaalsContact C-N 3.26Å; S121-N123 PolarHBondContact O-N 3.02Å; N123-K155 HydrophobicContact CB-CG 4.4Å; N123-K155 CarbonylContact O-C 3.53Å; N123-K155 VanDerWaalsContact O-CA 3.31Å; N123-K155 WeakPolarHBondContact O-CA 3.26Å; N123-K155 WeakPolarHBondContact O-CG 3.43Å; N123-Y156 VanDerWaalsContact C-CE1 3.43Å; N123-Y156 WeakPolarHBondContact O-CD1 3.46Å; N123-Y156 PolarHBondContact O-N 3.13Å; N123-R157 HydrophobicContact CB-CG 3.92Å; N123-R157 PolarHBondContact OD1-NE 3.21Å; N123-R157 PolarHBondContact OD1-NH2 3.23Å; N123-R157 VanDerWaalsContact OD1-NH2 3.09Å
124F98.8Very high98.7Very high20 Ų2022.8 Ų22.89%0.08811%0.114CC..EExtended strand (participates in β ladder)trans-111.3154.7177.2-71.8-94.9000111.5I55 M58 M59 I119 H120 K122 K154 K155I55-F124 HydrophobicContact CD1-CD1 4.19Å; I55-F124 HydrophobicContact CD1-CE1 3.92Å; I55-F124 HydrophobicContact CG1-CD1 4.46Å; I55-F124 HydrophobicContact CG1-CE1 3.94Å; I55-F124 HydrophobicContact CG1-CZ 4.26Å; I55-F124 HydrophobicContact CG2-CD1 4.45Å; M58-F124 HydrophobicContact CE-CE1 4.46Å; M58-F124 HydrophobicContact CE-CE2 3.64Å; M58-F124 HydrophobicContact CE-CZ 3.44Å; M58-F124 VanDerWaalsContact CE-CZ 3.44Å; M58-F124 HydrophobicContact SD-CE2 4.17Å; M58-F124 HydrophobicContact SD-CZ 4.35Å; M59-F124 HydrophobicContact CE-CB 3.76Å; M59-F124 HydrophobicContact CE-CD2 3.61Å; M59-F124 HydrophobicContact CE-CG 3.92Å; I119-F124 CarbonylContact C-O 3.57Å; I119-F124 HydrophobicContact CG2-CB 3.99Å; I119-F124 WeakPolarHBondContact CG2-O 3.49Å; I119-F124 PolarHBondContact O-N 3.24Å; H120-F124 WeakPolarHBondContact CA-O 3.47Å; H120-F124 PolarHBondContact CD2-O 3.07Å; H120-F124 VanDerWaalsContact CD2-O 3.27Å; H120-F124 PolarHBondContact N-O 3.45Å; K122-F124 VanDerWaalsContact C-N 3.33Å; K122-F124 WeakPolarHBondContact O-CD2 3.34Å; K122-F124 PolarHBondContact O-N 2.91Å; F124-K154 CarbonylContact C-O 3.48Å; F124-K154 VanDerWaalsContact CA-O 3.28Å; F124-K154 WeakPolarHBondContact CA-O 3.22Å; F124-K154 VanDerWaalsContact CD1-C 3.45Å; F124-K155 HydrophobicContact CD1-CB 4.36Å; F124-K155 HydrophobicContact CE1-CB 4.02Å; F124-K155 HydrophobicContact CZ-CB 4.3Å; F124-K155 HydrophobicContact CZ-CG 4.48Å
125I98.9Very high98.6Very high0 Ų022.5 Ų22.50%011%0.11CC..EExtended strand (participates in β ladder)trans-110.5146.7161.450.5175000108.3R127 A153 K154 Y156 Q190 R192 D195I125-R127 HydrophobicContact CB-CG 4.29Å; I125-R127 HydrophobicContact CD1-CG 3.75Å; I125-R127 HydrophobicContact CG1-CG 3.78Å; I125-A153 CarbonylContact O-C 3.54Å; I125-A153 WeakPolarHBondContact O-CA 3.49Å; I125-A153 WeakPolarHBondContact O-CB 3.31Å; I125-K154 HydrophobicContact CG1-CB 4.28Å; I125-K154 VanDerWaalsContact CG1-O 3.31Å; I125-K154 WeakPolarHBondContact CG1-O 3.49Å; I125-K154 PolarHBondContact N-O 3.4Å; I125-K154 PolarHBondContact O-N 3.44Å; I125-Y156 HydrophobicContact CG2-CD1 3.88Å; I125-Y156 HydrophobicContact CG2-CG 4.05Å; I125-Q190 HydrophobicContact CD1-CB 4.02Å; I125-Q190 WeakPolarHBondContact CD1-O 3.42Å; I125-R192 HydrophobicContact CG2-CG 4.2Å; I125-D195 WeakPolarHBondContact CA-OD2 3.35Å
126H98.7Very high98.6Very high0 Ų022.1 Ų22.10%011%0.108CC..  trans-79.7-46.5-174.7-167.3-85.1000112.5D128 V129 I148 D149 F150 L152 D195H126-D128 PolarHBondContact CE1-O 3.38Å; H126-D128 PolarHBondContact ND1-N 3.49Å; H126-D128 PolarHBondContact ND1-O 2.86Å; H126-D128 PolarHBondContact O-N 3.11Å; H126-V129 HydrophobicContact CB-CG2 4.22Å; H126-I148 PolarHBondContact NE2-O 3.4Å; H126-D149 PolarHBondContact CE1-O 3.23Å; H126-D149 PolarHBondContact NE2-O 2.86Å; H126-F150 AromaticContact CD2-CE1 3.95Å; H126-L152 CarbonylContact O-C 3.57Å; H126-D195 PolarHBondContact N-OD2 3.39Å
127R98.4Very high98.6Very high45 Ų4522.3 Ų22.317%0.1711%0.111CC..SBendtrans680.2177.1-52.1-164.8-64.6165.23.5117.6I125 L152 Q190 D195I125-R127 HydrophobicContact CB-CG 4.29Å; I125-R127 HydrophobicContact CD1-CG 3.75Å; I125-R127 HydrophobicContact CG1-CG 3.78Å; R127-L152 PolarHBondContact NE-O 3.12Å; R127-L152 PolarHBondContact NH2-O 3.27Å; R127-Q190 VanDerWaalsContact CA-OE1 3.26Å; R127-Q190 HydrophobicContact CG-CB 4.32Å; R127-Q190 VanDerWaalsContact CG-OE1 3.23Å; R127-D195 WeakPolarHBondContact CA-OD1 3.31Å; R127-D195 PolarHBondContact N-OD1 3Å
128D97.8Very high98.4Very high6 Ų622.9 Ų22.93%0.03212%0.115CC..  trans-141.654.1172.6-163.438.6000112.3H126 K130 N133 L152 G175 T176H126-D128 PolarHBondContact CE1-O 3.38Å; H126-D128 PolarHBondContact ND1-N 3.49Å; H126-D128 PolarHBondContact ND1-O 2.86Å; H126-D128 PolarHBondContact O-N 3.11Å; D128-K130 PolarHBondContact O-N 3.4Å; D128-K130 IonicContact OD1-NZ 2.91Å; D128-K130 WeakPolarHBondContact OD2-CE 3.45Å; D128-K130 IonicContact OD2-NZ 2.72Å; D128-K130 PolarHBondContact OD2-NZ 2.85Å; D128-N133 PolarHBondContact O-ND2 3.45Å; D128-N133 PolarHBondContact OD2-ND2 3.08Å; D128-L152 HydrophobicContact CB-CB 4.4Å; D128-L152 HydrophobicContact CB-CD1 3.77Å; D128-G175 WeakPolarHBondContact OD1-CA 3.37Å; D128-T176 WeakPolarHBondContact OD1-CB 3.21Å; D128-T176 PolarHBondContact OD1-N 3.31Å; D128-T176 PolarHBondContact OD1-OG1 2.98Å
129V98.8Very high98.2Very high2 Ų223.2 Ų23.21%0.01213%0.133CC..  trans-70.6112.5175.7176.70000109.4I116 H126 F134 Y179 D195 L199I116-V129 HydrophobicContact CD1-CG1 4.15Å; I116-V129 HydrophobicContact CD1-CG2 4.09Å; H126-V129 HydrophobicContact CB-CG2 4.22Å; V129-F134 HydrophobicContact CG1-CE2 3.89Å; V129-F134 HydrophobicContact CG1-CZ 4.18Å; V129-Y179 WeakPolarHBondContact O-CB 3.31Å; V129-D195 HydrophobicContact CG2-CB 4.02Å; V129-L199 HydrophobicContact CG1-CB 4.09Å
130K98.6Very high98Very high24 Ų2432.9 Ų32.910%0.10418%0.175CC..  trans-156.2159.2-17970.4-167.3-173.1-157.70111D128 D132 N133 F134 T176 Y179D128-K130 PolarHBondContact O-N 3.4Å; D128-K130 IonicContact OD1-NZ 2.91Å; D128-K130 WeakPolarHBondContact OD2-CE 3.45Å; D128-K130 IonicContact OD2-NZ 2.72Å; D128-K130 PolarHBondContact OD2-NZ 2.85Å; K130-D132 VanDerWaalsContact C-N 3.26Å; K130-D132 HydrophobicContact CD-CB 4.48Å; K130-D132 HydrophobicContact CG-CB 4.2Å; K130-D132 PolarHBondContact O-N 2.89Å; K130-N133 WeakPolarHBondContact CE-ND2 3.4Å; K130-N133 HydrophobicContact CG-CB 4.18Å; K130-N133 PolarHBondContact O-N 2.81Å; K130-F134 VanDerWaalsContact O-CD2 3.28Å; K130-F134 WeakPolarHBondContact O-CD2 3.34Å; K130-T176 VanDerWaalsContact CD-OG1 3.29Å; K130-T176 WeakPolarHBondContact CD-OG1 3.22Å; K130-Y179 HydrophobicContact CB-CD2 3.53Å; K130-Y179 HydrophobicContact CB-CE2 3.77Å; K130-Y179 HydrophobicContact CB-CG 4.35Å
131P98.7Very high97.9Very high0 Ų037.2 Ų37.20%019%0.194CC..G310 helixtrans-54.8-37.3-177.3-26.736.8000114.2L89 E90 N133 F134 Y179 V202 Y205 F206L89-P131 HydrophobicContact CB-CB 4.36Å; L89-P131 PolarHBondContact N-O 3.15Å; E90-P131 HydrophobicContact CB-CB 3.97Å; P131-N133 PolarHBondContact O-N 3.42Å; P131-F134 PolarHBondContact O-N 2.72Å; P131-Y179 VanDerWaalsContact CD-CZ 3.46Å; P131-Y179 HydrophobicContact CG-CE1 4.4Å; P131-V202 HydrophobicContact CG-CG1 3.99Å; P131-V202 HydrophobicContact CG-CG2 4.48Å; P131-Y205 HydrophobicContact CG-CD1 3.94Å; P131-Y205 HydrophobicContact CG-CE1 3.85Å; P131-F206 HydrophobicContact CB-CE1 3.96Å; P131-F206 HydrophobicContact CB-CZ 3.81Å; P131-F206 HydrophobicContact CG-CE1 3.97Å; P131-F206 HydrophobicContact CG-CZ 3.9Å
132D97.6Very high97.8Very high55 Ų5535.7 Ų35.729%0.29419%0.188SC..G310 helixtrans-62.7-26.8180-48-104.1000113.4K130 F134 L135K130-D132 VanDerWaalsContact C-N 3.26Å; K130-D132 HydrophobicContact CD-CB 4.48Å; K130-D132 HydrophobicContact CG-CB 4.2Å; K130-D132 PolarHBondContact O-N 2.89Å; D132-F134 VanDerWaalsContact C-N 3.33Å; D132-L135 VanDerWaalsContact O-CD1 3.26Å; D132-L135 WeakPolarHBondContact O-CD1 3.21Å
133N98.4Very high97.7Very high8 Ų834.6 Ų34.64%0.04319%0.186CC..G310 helixtrans-91.34.9-178.1-73.2-12.9000113D128 K130 P131 I147 I148D128-N133 PolarHBondContact O-ND2 3.45Å; D128-N133 PolarHBondContact OD2-ND2 3.08Å; K130-N133 WeakPolarHBondContact CE-ND2 3.4Å; K130-N133 HydrophobicContact CG-CB 4.18Å; K130-N133 PolarHBondContact O-N 2.81Å; P131-N133 PolarHBondContact O-N 3.42Å; N133-I147 WeakPolarHBondContact O-CA 3.29Å; N133-I148 HydrophobicContact CB-CG1 4.37Å; N133-I148 WeakPolarHBondContact O-CG1 3.36Å; N133-I148 PolarHBondContact O-N 3.08Å
134F98.8Very high97.7Very high0 Ų035.4 Ų35.40%019%0.19CC..EExtended strand (participates in β ladder)trans-115.5121.6170.5-67.1-87.2000109.9S88 L89 M112 R115 V129 K130 P131 D132 V145 Y146 I147S88-F134 CarbonylContact C-O 3.39Å; S88-F134 VanDerWaalsContact CA-O 3.27Å; S88-F134 WeakPolarHBondContact CA-O 3.48Å; L89-F134 HydrophobicContact CD1-CB 3.54Å; L89-F134 HydrophobicContact CD1-CG 4.27Å; L89-F134 HydrophobicContact CG-CB 3.74Å; L89-F134 PolarHBondContact N-O 3.05Å; M112-F134 HydrophobicContact CB-CE1 4.09Å; M112-F134 HydrophobicContact CB-CZ 4.39Å; M112-F134 HydrophobicContact CE-CD1 4.17Å; M112-F134 HydrophobicContact CE-CD2 3.44Å; M112-F134 VanDerWaalsContact CE-CD2 3.44Å; M112-F134 HydrophobicContact CE-CE1 4.17Å; M112-F134 HydrophobicContact CE-CE2 3.46Å; M112-F134 VanDerWaalsContact CE-CE2 3.46Å; M112-F134 HydrophobicContact CE-CG 3.81Å; M112-F134 HydrophobicContact CE-CZ 3.83Å; M112-F134 HydrophobicContact CG-CD1 3.93Å; M112-F134 HydrophobicContact CG-CE1 3.91Å; M112-F134 HydrophobicContact CG-CG 4.39Å; M112-F134 HydrophobicContact CG-CZ 4.38Å; R115-F134 HydrophobicContact CB-CE1 4.34Å; V129-F134 HydrophobicContact CG1-CE2 3.89Å; V129-F134 HydrophobicContact CG1-CZ 4.18Å; K130-F134 VanDerWaalsContact O-CD2 3.28Å; K130-F134 WeakPolarHBondContact O-CD2 3.34Å; P131-F134 PolarHBondContact O-N 2.72Å; D132-F134 VanDerWaalsContact C-N 3.33Å; F134-V145 HydrophobicContact CB-CG1 4.09Å; F134-V145 HydrophobicContact CD1-CG1 3.79Å; F134-V145 HydrophobicContact CG-CG1 4.37Å; F134-Y146 WeakPolarHBondContact CA-O 3.4Å; F134-I147 HydrophobicContact CD1-CB 4.13Å; F134-I147 HydrophobicContact CD1-CD1 4.47Å; F134-I147 HydrophobicContact CD1-CG1 4.2Å; F134-I147 HydrophobicContact CE1-CB 3.98Å; F134-I147 HydrophobicContact CE1-CD1 3.64Å; F134-I147 HydrophobicContact CE1-CG1 3.85Å; F134-I147 HydrophobicContact CE2-CD1 4.48Å; F134-I147 HydrophobicContact CZ-CD1 3.64Å; F134-I147 HydrophobicContact CZ-CG1 4.16Å
135L98.6Very high97.7Very high27 Ų2734.4 Ų34.414%0.14119%0.185CC..EExtended strand (participates in β ladder)trans-120.1148.2-177.3-81.164.5000110L85 G86 P87 D132 V145 Y146 I148L85-L135 HydrophobicContact CB-CB 4.08Å; L85-L135 HydrophobicContact CB-CD2 3.83Å; L85-L135 HydrophobicContact CD1-CB 4.04Å; L85-L135 HydrophobicContact CD1-CD2 4.23Å; G86-L135 WeakPolarHBondContact O-CD2 3.49Å; P87-L135 WeakPolarHBondContact O-CA 3.4Å; D132-L135 VanDerWaalsContact O-CD1 3.26Å; D132-L135 WeakPolarHBondContact O-CD1 3.21Å; L135-V145 CarbonylContact O-C 3.58Å; L135-Y146 PolarHBondContact N-O 3.45Å; L135-Y146 VanDerWaalsContact N-O 3.08Å; L135-Y146 WeakPolarHBondContact O-CB 3.38Å; L135-Y146 PolarHBondContact O-N 3.26Å; L135-I148 HydrophobicContact CD1-CD1 3.41Å; L135-I148 VanDerWaalsContact CD1-CD1 3.41Å; L135-I148 HydrophobicContact CD1-CG1 3.81Å; L135-I148 HydrophobicContact CD2-CD1 4.05Å; L135-I148 HydrophobicContact CG-CD1 4.39Å
136M98.8Very high97.7Very high5 Ų534.7 Ų34.73%0.02519%0.186CC..EExtended strand (participates in β ladder)trans-79.7149169.6-62.4-54.8-62.400110.5G86 P87 L89 L92 G142 V145 F288 W290G86-M136 WeakPolarHBondContact CA-O 3.46Å; G86-M136 PolarHBondContact N-O 2.89Å; P87-M136 PolarHBondContact O-N 3.37Å; L89-M136 HydrophobicContact CD2-CG 4.42Å; L89-M136 HydrophobicContact CD2-SD 4.07Å; L92-M136 HydrophobicContact CD1-CB 4.43Å; L92-M136 HydrophobicContact CD1-CG 3.43Å; L92-M136 VanDerWaalsContact CD1-CG 3.43Å; M136-G142 WeakPolarHBondContact CE-O 3.35Å; M136-V145 HydrophobicContact CE-CG2 4.29Å; M136-V145 HydrophobicContact SD-CB 4.49Å; M136-V145 HydrophobicContact SD-CG2 3.75Å; M136-F288 HydrophobicContact CE-CE2 3.96Å; M136-F288 HydrophobicContact CE-CZ 4.2Å; M136-W290 HydrophobicContact CE-CZ2 4.08Å; M136-W290 HydrophobicContact CG-CZ2 4Å; M136-W290 HydrophobicContact SD-CH2 4.37Å; M136-W290 HydrophobicContact SD-CZ2 3.94Å
137G98Very high97.7Very high6 Ų634.7 Ų34.76%0.06219%0.186CC..PPolyproline II helixtrans-66.7171.7170.400000113K141 G142 L144G137-K141 VanDerWaalsContact CA-O 3.25Å; G137-K141 WeakPolarHBondContact CA-O 3.48Å; G137-K141 PolarHBondContact N-O 2.77Å; G137-G142 WeakPolarHBondContact O-CA 3.37Å; G137-L144 PolarHBondContact N-O 3.17Å
138L94.4Very high97.6Very high72 Ų7234.3 Ų34.338%0.37719%0.187SC..PPolyproline II helixtrans-101.3153.2174.8-66.1175.2000111.6L84 K140 K141L84-L138 HydrophobicContact CB-CD1 4.46Å; L84-L138 HydrophobicContact CD2-CD1 4.38Å; L84-L138 HydrophobicContact CG-CD1 4.16Å; L84-L138 WeakPolarHBondContact O-CD1 3.18Å; L138-K140 PolarHBondContact O-N 3.24Å; L138-K141 PolarHBondContact O-N 2.87Å
139G94.6Very high97.5Very high54 Ų5434.4 Ų34.456%0.55719%0.188SC*.G310 helixtrans52.9-123174.700000112.7K141 G142G139-K141 PolarHBondContact O-N 3.25Å; G139-K141 VanDerWaalsContact O-N 3.1Å; G139-G142 PolarHBondContact O-N 3.34Å
140K94.4Very high97.4Very high203 Ų20334.4 Ų34.488%0.88319%0.188SC*.G310 helixtrans-60.8-18.9179.7-65.2-174178.9-177.30114.4L138L138-K140 PolarHBondContact O-N 3.24Å
141K96.9Very high97.1Very high94 Ų9433.7 Ų33.741%0.40919%0.188SC..G310 helixtrans-96.413.8174.8-55.4-172.9-169.4170.10112.3E83 G137 L138 G139 N143 L144 Y146E83-K141 IonicContact OE1-NZ 3.95Å; E83-K141 PolarHBondContact OE1-NZ 2.81Å; G137-K141 VanDerWaalsContact CA-O 3.25Å; G137-K141 WeakPolarHBondContact CA-O 3.48Å; G137-K141 PolarHBondContact N-O 2.77Å; L138-K141 PolarHBondContact O-N 2.87Å; G139-K141 PolarHBondContact O-N 3.25Å; G139-K141 VanDerWaalsContact O-N 3.1Å; K141-N143 PolarHBondContact O-N 3.06Å; K141-N143 VanDerWaalsContact O-N 3.13Å; K141-L144 HydrophobicContact CB-CB 4.35Å; K141-L144 VanDerWaalsContact O-CB 3.29Å; K141-L144 WeakPolarHBondContact O-CB 3.36Å; K141-L144 PolarHBondContact O-N 3.05Å; K141-Y146 WeakPolarHBondContact CD-OH 3.27Å; K141-Y146 PolarHBondContact NZ-OH 3.41Å; K141-Y146 VanDerWaalsContact NZ-OH 3.14Å
142G96.6Very high96.9Very high28 Ų2835 Ų3529%0.28919%0.194SC..THydrogen-bonded Turntrans-63.1-16-175.700000115.5M136 G137 G139M136-G142 WeakPolarHBondContact CE-O 3.35Å; G137-G142 WeakPolarHBondContact O-CA 3.37Å; G139-G142 PolarHBondContact O-N 3.34Å
143N96.9Very high96.9Very high56 Ų5633 Ų3330%0.29919%0.186SC..THydrogen-bonded Turntrans-93.7-4.2172.864.3-37.3000113.9Q111 K141 Y286 F288Q111-N143 PolarHBondContact NE2-O 3.49Å; K141-N143 PolarHBondContact O-N 3.06Å; K141-N143 VanDerWaalsContact O-N 3.13Å; N143-Y286 HydrophobicContact CB-CD1 4.14Å; N143-Y286 HydrophobicContact CB-CG 3.99Å; N143-F288 HydrophobicContact CB-CE2 4.46Å
144L98.7Very high96.8Very high38 Ų3835.4 Ų35.420%0.19920%0.196CC..  trans-94.7122.7-176.6-170.166.3000110.4V63 G137 K141 Y146V63-L144 HydrophobicContact CG1-CD1 3.77Å; V63-L144 HydrophobicContact CG1-CD2 4.39Å; G137-L144 PolarHBondContact N-O 3.17Å; K141-L144 HydrophobicContact CB-CB 4.35Å; K141-L144 VanDerWaalsContact O-CB 3.29Å; K141-L144 WeakPolarHBondContact O-CB 3.36Å; K141-L144 PolarHBondContact O-N 3.05Å; L144-Y146 HydrophobicContact CB-CE2 4.13Å; L144-Y146 HydrophobicContact CD2-CD2 4.37Å; L144-Y146 HydrophobicContact CD2-CE2 3.62Å; L144-Y146 HydrophobicContact CG-CD2 4.28Å; L144-Y146 HydrophobicContact CG-CE2 3.94Å
145V98.8Very high96.8Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-77.7134.3169.7-178.80000108.6L108 Q111 M112 R115 F134 L135 M136L108-V145 HydrophobicContact CD2-CG2 3.61Å; Q111-V145 HydrophobicContact CB-CB 3.98Å; Q111-V145 HydrophobicContact CB-CG2 3.95Å; Q111-V145 HydrophobicContact CG-CG2 4.45Å; M112-V145 HydrophobicContact CG-CG1 4.28Å; R115-V145 PolarHBondContact NE-O 3.23Å; R115-V145 PolarHBondContact NH2-O 3.01Å; F134-V145 HydrophobicContact CB-CG1 4.09Å; F134-V145 HydrophobicContact CD1-CG1 3.79Å; F134-V145 HydrophobicContact CG-CG1 4.37Å; L135-V145 CarbonylContact O-C 3.58Å; M136-V145 HydrophobicContact CE-CG2 4.29Å; M136-V145 HydrophobicContact SD-CB 4.49Å; M136-V145 HydrophobicContact SD-CG2 3.75Å
146Y98.9Very high96.8Very high5 Ų538.1 Ų38.12%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-109.5156.6171.5-78.3-108.8000109.9G64 E83 L85 F134 L135 K141 L144G64-Y146 VanDerWaalsContact CA-CD1 3.48Å; G64-Y146 WeakPolarHBondContact O-CA 3.39Å; G64-Y146 WeakPolarHBondContact O-CD1 3.27Å; E83-Y146 PolarHBondContact OE1-OH 3.06Å; L85-Y146 HydrophobicContact CD1-CD1 3.89Å; L85-Y146 HydrophobicContact CD1-CG 3.79Å; L85-Y146 HydrophobicContact CD2-CD1 3.78Å; L85-Y146 HydrophobicContact CD2-CD2 3.98Å; L85-Y146 HydrophobicContact CD2-CE1 3.77Å; L85-Y146 HydrophobicContact CD2-CE2 3.98Å; L85-Y146 HydrophobicContact CD2-CG 3.86Å; F134-Y146 WeakPolarHBondContact CA-O 3.4Å; L135-Y146 PolarHBondContact N-O 3.45Å; L135-Y146 VanDerWaalsContact N-O 3.08Å; L135-Y146 WeakPolarHBondContact O-CB 3.38Å; L135-Y146 PolarHBondContact O-N 3.26Å; K141-Y146 WeakPolarHBondContact CD-OH 3.27Å; K141-Y146 PolarHBondContact NZ-OH 3.41Å; K141-Y146 VanDerWaalsContact NZ-OH 3.14Å; L144-Y146 HydrophobicContact CB-CE2 4.13Å; L144-Y146 HydrophobicContact CD2-CD2 4.37Å; L144-Y146 HydrophobicContact CD2-CE2 3.62Å; L144-Y146 HydrophobicContact CG-CD2 4.28Å; L144-Y146 HydrophobicContact CG-CE2 3.94Å
147I98.8Very high96.8Very high0 Ų039.9 Ų39.90%021%0.213CC..EExtended strand (participates in β ladder)trans-117.3139.7168.1-166.9168.8000110G64 I65 P66 R115 I119 N133 F134 F150G64-I147 PolarHBondContact O-N 3.42Å; I65-I147 HydrophobicContact CD1-CG2 3.77Å; P66-I147 WeakPolarHBondContact CD-O 3.23Å; R115-I147 HydrophobicContact CB-CB 4.15Å; R115-I147 HydrophobicContact CB-CG2 3.94Å; R115-I147 HydrophobicContact CG-CB 4.37Å; R115-I147 HydrophobicContact CG-CG2 4.31Å; I119-I147 HydrophobicContact CD1-CD1 3.63Å; I119-I147 HydrophobicContact CD1-CG1 4.37Å; I119-I147 HydrophobicContact CD1-CG2 3.72Å; N133-I147 WeakPolarHBondContact O-CA 3.29Å; F134-I147 HydrophobicContact CD1-CB 4.13Å; F134-I147 HydrophobicContact CD1-CD1 4.47Å; F134-I147 HydrophobicContact CD1-CG1 4.2Å; F134-I147 HydrophobicContact CE1-CB 3.98Å; F134-I147 HydrophobicContact CE1-CD1 3.64Å; F134-I147 HydrophobicContact CE1-CG1 3.85Å; F134-I147 HydrophobicContact CE2-CD1 4.48Å; F134-I147 HydrophobicContact CZ-CD1 3.64Å; F134-I147 HydrophobicContact CZ-CG1 4.16Å; I147-F150 HydrophobicContact CG2-CZ 4.47Å
148I97.2Very high96.8Very high37 Ų3742.3 Ų42.319%0.1922%0.224CC..  trans-134.6173.3-175.168.9162.4000112.1P66 L85 H126 N133 L135P66-I148 HydrophobicContact CG-CG2 4.15Å; L85-I148 HydrophobicContact CD1-CG2 3.85Å; H126-I148 PolarHBondContact NE2-O 3.4Å; N133-I148 HydrophobicContact CB-CG1 4.37Å; N133-I148 WeakPolarHBondContact O-CG1 3.36Å; N133-I148 PolarHBondContact O-N 3.08Å; L135-I148 HydrophobicContact CD1-CD1 3.41Å; L135-I148 VanDerWaalsContact CD1-CD1 3.41Å; L135-I148 HydrophobicContact CD1-CG1 3.81Å; L135-I148 HydrophobicContact CD2-CD1 4.05Å; L135-I148 HydrophobicContact CG-CD1 4.39Å
149D94.8Very high96.9Very high9 Ų941.3 Ų41.35%0.04823%0.226CC..  trans65.975.6176.9-159.811.4000114.4S19 K38 Y56 H126 G151S19-D149 WeakPolarHBondContact CB-OD2 3.11Å; S19-D149 PolarHBondContact N-OD2 3.12Å; S19-D149 PolarHBondContact OG-OD2 3.33Å; K38-D149 IonicContact NZ-OD1 2.89Å; K38-D149 PolarHBondContact NZ-OD1 2.81Å; Y56-D149 PolarHBondContact OH-N 3.41Å; H126-D149 PolarHBondContact CE1-O 3.23Å; H126-D149 PolarHBondContact NE2-O 2.86Å; D149-G151 PolarHBondContact O-N 3.42Å; D149-G151 PolarHBondContact OD1-N 3.12Å
150F96.1Very high97Very high1 Ų149.3 Ų49.30%0.00424%0.24CC..G310 helixtrans-82.311.8173.8-66.6-71.1000113.4E52 I55 Y56 M59 I65 I119 H126 I147 L152 A153E52-F150 HydrophobicContact CG-CB 3.98Å; E52-F150 PolarHBondContact OE1-N 3.22Å; I55-F150 HydrophobicContact CB-CB 4.18Å; I55-F150 HydrophobicContact CD1-CB 4.46Å; I55-F150 HydrophobicContact CG2-CB 3.84Å; I55-F150 HydrophobicContact CG2-CD1 3.96Å; I55-F150 HydrophobicContact CG2-CD2 4.33Å; I55-F150 HydrophobicContact CG2-CG 3.79Å; Y56-F150 AromaticContact CD1-CD2 3.62Å; Y56-F150 HydrophobicContact CD1-CD2 3.62Å; Y56-F150 AromaticContact CD1-CE2 3.61Å; Y56-F150 HydrophobicContact CD1-CE2 3.61Å; Y56-F150 AromaticContact CD2-CD2 3.98Å; Y56-F150 HydrophobicContact CD2-CD2 3.98Å; Y56-F150 AromaticContact CE1-CD2 3.38Å; Y56-F150 HydrophobicContact CE1-CD2 3.38Å; Y56-F150 AromaticContact CE1-CE2 3.36Å; Y56-F150 HydrophobicContact CE1-CE2 3.36Å; Y56-F150 AromaticContact CE2-CD2 3.78Å; Y56-F150 HydrophobicContact CE2-CD2 3.78Å; Y56-F150 AromaticContact CG-CD2 3.91Å; Y56-F150 HydrophobicContact CG-CD2 3.91Å; Y56-F150 HydrophobicContact CG-CE2 4.31Å; Y56-F150 AromaticContact CZ-CD2 3.48Å; Y56-F150 VanDerWaalsContact CZ-CD2 3.48Å; Y56-F150 AromaticContact CZ-CE2 3.93Å; M59-F150 HydrophobicContact CG-CE2 4.42Å; M59-F150 HydrophobicContact CG-CZ 4.19Å; I65-F150 HydrophobicContact CD1-CZ 4.12Å; I119-F150 HydrophobicContact CD1-CE1 3.65Å; I119-F150 HydrophobicContact CD1-CZ 4.03Å; I119-F150 HydrophobicContact CG1-CE1 3.8Å; I119-F150 HydrophobicContact CG1-CZ 4.1Å; I119-F150 HydrophobicContact CG2-CE1 4.32Å; H126-F150 AromaticContact CD2-CE1 3.95Å; I147-F150 HydrophobicContact CG2-CZ 4.47Å; F150-L152 PolarHBondContact O-N 3Å; F150-A153 HydrophobicContact CB-CB 3.98Å; F150-A153 HydrophobicContact CD1-CB 3.9Å; F150-A153 HydrophobicContact CG-CB 4.45Å; F150-A153 VanDerWaalsContact O-CB 3.29Å; F150-A153 WeakPolarHBondContact O-CB 3.4Å; F150-A153 PolarHBondContact O-N 3.38Å
151G93.2Very high97.2Very high10 Ų1043.4 Ų43.410%0.10322%0.221CC..G310 helixtrans-60.4-33.2-178.600000112.8F20 Q48 D149F20-G151 VanDerWaalsContact CE2-C 3.41Å; Q48-G151 PolarHBondContact OE1-O 2.67Å; Q48-G151 VanDerWaalsContact OE1-O 3.06Å; D149-G151 PolarHBondContact O-N 3.42Å; D149-G151 PolarHBondContact OD1-N 3.12Å
152L94.4Very high97.3Very high26 Ų2643.9 Ų43.914%0.13622%0.224CC..G310 helixtrans-93.60.7174.6-69.6178.4000113.7F20 H126 R127 D128 F150 T174F20-L152 HydrophobicContact CE2-CD2 3.99Å; F20-L152 HydrophobicContact CE2-CG 3.98Å; F20-L152 HydrophobicContact CZ-CD2 3.56Å; F20-L152 HydrophobicContact CZ-CG 4.05Å; H126-L152 CarbonylContact O-C 3.57Å; R127-L152 PolarHBondContact NE-O 3.12Å; R127-L152 PolarHBondContact NH2-O 3.27Å; D128-L152 HydrophobicContact CB-CB 4.4Å; D128-L152 HydrophobicContact CB-CD1 3.77Å; F150-L152 PolarHBondContact O-N 3Å; L152-T174 HydrophobicContact CD1-CG2 4.18Å; L152-T174 HydrophobicContact CD2-CG2 3.65Å; L152-T174 HydrophobicContact CG-CG2 4.37Å
153A96.9Very high97.4Very high14 Ų1449.5 Ų49.512%0.11624%0.243CC..  trans-67.8152.7-176.900000112.2I55 I125 F150I55-A153 HydrophobicContact CD1-CB 4.04Å; I125-A153 CarbonylContact O-C 3.54Å; I125-A153 WeakPolarHBondContact O-CA 3.49Å; I125-A153 WeakPolarHBondContact O-CB 3.31Å; F150-A153 HydrophobicContact CB-CB 3.98Å; F150-A153 HydrophobicContact CD1-CB 3.9Å; F150-A153 HydrophobicContact CG-CB 4.45Å; F150-A153 VanDerWaalsContact O-CB 3.29Å; F150-A153 WeakPolarHBondContact O-CB 3.4Å; F150-A153 PolarHBondContact O-N 3.38Å
154K97.2Very high97.4Very high58 Ų5848.5 Ų48.525%0.25224%0.236SC..EExtended strand (participates in β ladder)trans-145.2143.2-179.3-171.7-175.6177.7-155.30111.3F124 I125 Y156 E189F124-K154 CarbonylContact C-O 3.48Å; F124-K154 VanDerWaalsContact CA-O 3.28Å; F124-K154 WeakPolarHBondContact CA-O 3.22Å; F124-K154 VanDerWaalsContact CD1-C 3.45Å; I125-K154 HydrophobicContact CG1-CB 4.28Å; I125-K154 VanDerWaalsContact CG1-O 3.31Å; I125-K154 WeakPolarHBondContact CG1-O 3.49Å; I125-K154 PolarHBondContact N-O 3.4Å; I125-K154 PolarHBondContact O-N 3.44Å; K154-Y156 PolarHBondContact O-N 2.69Å; K154-E189 IonicContact NZ-OE1 2.71Å; K154-E189 PolarHBondContact NZ-OE1 3.37Å; K154-E189 IonicContact NZ-OE2 2.75Å; K154-E189 PolarHBondContact NZ-OE2 3.02Å
155K98.4Very high97.4Very high82 Ų8248.5 Ų48.536%0.35724%0.236SC..EExtended strand (participates in β ladder)trans-68124.7172.8-160.3-177.4-165.7-1720109.7N123 F124 R157 D158N123-K155 HydrophobicContact CB-CG 4.4Å; N123-K155 CarbonylContact O-C 3.53Å; N123-K155 VanDerWaalsContact O-CA 3.31Å; N123-K155 WeakPolarHBondContact O-CA 3.26Å; N123-K155 WeakPolarHBondContact O-CG 3.43Å; F124-K155 HydrophobicContact CD1-CB 4.36Å; F124-K155 HydrophobicContact CE1-CB 4.02Å; F124-K155 HydrophobicContact CZ-CB 4.3Å; F124-K155 HydrophobicContact CZ-CG 4.48Å; K155-R157 WeakPolarHBondContact CE-O 3.42Å; K155-R157 VanDerWaalsContact CG-O 3.27Å; K155-R157 WeakPolarHBondContact CG-O 3.22Å; K155-D158 IonicContact NZ-OD2 3.87Å
156Y98.8Very high97.4Very high3 Ų352.2 Ų52.21%0.01226%0.26CS..  trans-104.8-12.4-17980.4-88.8000113.5H120 N123 I125 K154 H164 I165 R192H120-Y156 HydrophobicContact CB-CE1 4.44Å; H120-Y156 VanDerWaalsContact O-CE1 3.29Å; H120-Y156 WeakPolarHBondContact O-CE1 3.4Å; H120-Y156 PolarHBondContact O-OH 2.94Å; N123-Y156 VanDerWaalsContact C-CE1 3.43Å; N123-Y156 WeakPolarHBondContact O-CD1 3.46Å; N123-Y156 PolarHBondContact O-N 3.13Å; I125-Y156 HydrophobicContact CG2-CD1 3.88Å; I125-Y156 HydrophobicContact CG2-CG 4.05Å; K154-Y156 PolarHBondContact O-N 2.69Å; Y156-H164 AromaticContact CD2-CD2 3.51Å; Y156-H164 AromaticContact CD2-NE2 3.47Å; Y156-H164 WeakPolarHBondContact CD2-NE2 3.28Å; Y156-H164 AromaticContact CE2-CD2 3.92Å; Y156-I165 WeakPolarHBondContact O-CG1 3.13Å; Y156-I165 WeakPolarHBondContact O-CG2 3.5Å; Y156-I165 PolarHBondContact O-N 2.63Å; Y156-R192 HydrophobicContact CD1-CG 4.49Å; Y156-R192 HydrophobicContact CD2-CG 4.24Å; Y156-R192 HydrophobicContact CE1-CG 4.2Å; Y156-R192 HydrophobicContact CE2-CG 3.95Å; Y156-R192 PolarHBondContact OH-NH1 2.86Å
157R98.6Very high97.4Very high41 Ų4157 Ų5716%0.15528%0.279CS..BIsolated β-bridgetrans-148.7157174.466.7177.7-176-175.5-0111.3S121 N123 K155 Q163S121-R157 PolarHBondContact O-NH2 3.14Å; N123-R157 HydrophobicContact CB-CG 3.92Å; N123-R157 PolarHBondContact OD1-NE 3.21Å; N123-R157 PolarHBondContact OD1-NH2 3.23Å; N123-R157 VanDerWaalsContact OD1-NH2 3.09Å; K155-R157 WeakPolarHBondContact CE-O 3.42Å; K155-R157 VanDerWaalsContact CG-O 3.27Å; K155-R157 WeakPolarHBondContact CG-O 3.22Å; R157-Q163 CarbonylContact C-O 3.53Å; R157-Q163 WeakPolarHBondContact CA-O 3.42Å; R157-Q163 WeakPolarHBondContact CB-O 3.21Å
158D98.4Very high97.4Very high58 Ų5863.5 Ų63.531%0.3130%0.304SS..  trans-62.4145.6172.1-176.1-110.2000111.5K155 R160 T161 H162 Q163K155-D158 IonicContact NZ-OD2 3.87Å; D158-R160 WeakPolarHBondContact OD1-CA 3.48Å; D158-R160 WeakPolarHBondContact OD1-CB 3.44Å; D158-R160 PolarHBondContact OD1-N 2.92Å; D158-T161 WeakPolarHBondContact CB-OG1 3.25Å; D158-T161 PolarHBondContact OD1-N 2.91Å; D158-T161 PolarHBondContact OD1-OG1 2.99Å; D158-H162 WeakPolarHBondContact O-CA 3.47Å; D158-H162 PolarHBondContact O-N 2.89Å; D158-H162 VanDerWaalsContact O-N 3.15Å; D158-Q163 PolarHBondContact N-O 3.46Å
159A96.9Very high97.4Very high50 Ų5066.9 Ų66.941%0.41332%0.318SS..THydrogen-bonded Turntrans-78.3-22.2-175.200000112.9
160R96.8Very high97.4Very high222 Ų22273.9 Ų73.984%0.83836%0.356SS*.THydrogen-bonded Turntrans-100.3-50.3-179-177.8-179.465163.81.4111.2D158D158-R160 WeakPolarHBondContact OD1-CA 3.48Å; D158-R160 WeakPolarHBondContact OD1-CB 3.44Å; D158-R160 PolarHBondContact OD1-N 2.92Å
161T98Very high97.4Very high79 Ų7977.1 Ų77.149%0.48537%0.37SS..THydrogen-bonded Turntrans-87.7-13.3-175.669.80000113D158 Q163D158-T161 WeakPolarHBondContact CB-OG1 3.25Å; D158-T161 PolarHBondContact OD1-N 2.91Å; D158-T161 PolarHBondContact OD1-OG1 2.99Å; T161-Q163 PolarHBondContact O-N 3.26Å; T161-Q163 VanDerWaalsContact OG1-CB 3.29Å; T161-Q163 WeakPolarHBondContact OG1-CB 3.21Å; T161-Q163 PolarHBondContact OG1-N 3.49Å
162H98.1Very high97.3Very high105 Ų10583.2 Ų83.249%0.48640%0.4SS..  trans54.816-169.8-64.5163.4000114.5D158 H164D158-H162 WeakPolarHBondContact O-CA 3.47Å; D158-H162 PolarHBondContact O-N 2.89Å; D158-H162 VanDerWaalsContact O-N 3.15Å; H162-H164 PolarHBondContact O-N 2.79Å
163Q98.6Very high97.1Very high146 Ų14684.2 Ų84.268%0.68241%0.405SS*.PPolyproline II helixtrans-62.2122.4174.8-174.9177.825.500109.6R157 D158 T161R157-Q163 CarbonylContact C-O 3.53Å; R157-Q163 WeakPolarHBondContact CA-O 3.42Å; R157-Q163 WeakPolarHBondContact CB-O 3.21Å; D158-Q163 PolarHBondContact N-O 3.46Å; T161-Q163 PolarHBondContact O-N 3.26Å; T161-Q163 VanDerWaalsContact OG1-CB 3.29Å; T161-Q163 WeakPolarHBondContact OG1-CB 3.21Å; T161-Q163 PolarHBondContact OG1-N 3.49Å
164H98.9Very high96.8Very high34 Ų3485.3 Ų85.316%0.15741%0.411CS..BIsolated β-bridgetrans-68.2148.4179.6-161-81.2000111Y156 H162 F260 D261Y156-H164 AromaticContact CD2-CD2 3.51Å; Y156-H164 AromaticContact CD2-NE2 3.47Å; Y156-H164 WeakPolarHBondContact CD2-NE2 3.28Å; Y156-H164 AromaticContact CE2-CD2 3.92Å; H162-H164 PolarHBondContact O-N 2.79Å; H164-F260 AromaticContact CE1-CD1 3.95Å; H164-F260 AromaticContact CE1-CE1 3.53Å; H164-F260 AromaticContact CE1-CZ 3.74Å; H164-F260 AromaticContact ND1-CE1 3.6Å; H164-D261 HydrophobicContact CB-CB 4.14Å
165I98.7Very high96.6Very high38 Ų3883 Ų8320%0.19540%0.404CS..PPolyproline II helixtrans-58.6149170.458.7172.6000110Y156 E189 F260Y156-I165 WeakPolarHBondContact O-CG1 3.13Å; Y156-I165 WeakPolarHBondContact O-CG2 3.5Å; Y156-I165 PolarHBondContact O-N 2.63Å; I165-E189 HydrophobicContact CD1-CG 3.89Å; I165-F260 HydrophobicContact CD1-CZ 4.33Å; I165-F260 HydrophobicContact CG1-CE1 4.48Å; I165-F260 HydrophobicContact CG1-CZ 4.08Å; I165-F260 WeakPolarHBondContact O-CE1 3.15Å
166P98.4Very high96.4Very high78 Ų7881.1 Ų81.151%0.50640%0.399SS..PPolyproline II helixtrans-69.3151.3177.229.4-35.7000111.1
167Y98.6Very high96.3Very high105 Ų10581.2 Ų81.241%0.41240%0.401SS..PPolyproline II helixtrans-60.8139.3169.9-179.4-92.6000110.6E169 I188 F260Y167-E169 HydrophobicContact CD1-CG 4.4Å; Y167-E169 HydrophobicContact CE1-CG 3.43Å; Y167-E169 VanDerWaalsContact CE1-CG 3.43Å; Y167-E169 WeakPolarHBondContact CE1-OE1 3.43Å; Y167-E169 PolarHBondContact OH-OE1 3.15Å; Y167-I188 HydrophobicContact CD2-CG2 4.2Å; Y167-I188 HydrophobicContact CE2-CG2 3.4Å; Y167-I188 VanDerWaalsContact CE2-CG2 3.4Å; Y167-I188 WeakPolarHBondContact OH-CD1 3.45Å; Y167-F260 VanDerWaalsContact CA-CE1 3.5Å; Y167-F260 HydrophobicContact CD2-CB 4.08Å; Y167-F260 HydrophobicContact CD2-CD1 4.09Å; Y167-F260 HydrophobicContact CD2-CD2 4.09Å; Y167-F260 AromaticContact CD2-CG 3.81Å; Y167-F260 HydrophobicContact CD2-CG 3.81Å
168R98.1Very high96.3Very high138 Ų13881.6 Ų81.652%0.52140%0.402SS..  trans-147.2147.8177.4-61.8-175.9-178.6-172.21.8110.1E189R168-E189 HydrophobicContact CB-CB 4.11Å; R168-E189 WeakPolarHBondContact O-CB 3.43Å; R168-E189 PolarHBondContact O-N 3.18Å
169E97.5Very high96.3Very high107 Ų10779 Ų7950%0.539%0.388SS..  trans-115.4-172.7174.9-58.8-174.6172.700110.4Y167 K171 G187 I188Y167-E169 HydrophobicContact CD1-CG 4.4Å; Y167-E169 HydrophobicContact CE1-CG 3.43Å; Y167-E169 VanDerWaalsContact CE1-CG 3.43Å; Y167-E169 WeakPolarHBondContact CE1-OE1 3.43Å; Y167-E169 PolarHBondContact OH-OE1 3.15Å; E169-K171 PolarHBondContact O-N 3.21Å; E169-G187 CarbonylContact C-O 3.55Å; E169-G187 VanDerWaalsContact CA-O 3.31Å; E169-G187 WeakPolarHBondContact CA-O 3.39Å; E169-I188 HydrophobicContact CG-CG1 4.48Å
170N95.2Very high96.4Very high157 Ų15776.9 Ų76.984%0.8437%0.371SS*.SBendtrans57.134.1179-56.7-51.8000113.5G187N170-G187 PolarHBondContact N-O 3.32Å
171K95.9Very high96.4Very high69 Ų6966.3 Ų66.330%0.333%0.331SS..PPolyproline II helixtrans-82.7147.3172.8-62.2-58.9-162.8156.80111.5E169 G187 E189E169-K171 PolarHBondContact O-N 3.21Å; K171-G187 VanDerWaalsContact CB-O 3.27Å; K171-G187 WeakPolarHBondContact CB-O 3.41Å; K171-G187 WeakPolarHBondContact CG-O 3.12Å; K171-G187 PolarHBondContact N-O 3.37Å; K171-G187 VanDerWaalsContact O-CA 3.28Å; K171-G187 WeakPolarHBondContact O-CA 3.17Å; K171-E189 WeakPolarHBondContact CE-OE2 3.41Å; K171-E189 HydrophobicContact CG-CB 4.34Å; K171-E189 IonicContact NZ-OE1 2.75Å; K171-E189 IonicContact NZ-OE2 2.78Å; K171-E189 PolarHBondContact NZ-OE2 3.37Å
172N90.9Very high96.5Very high138 Ų13863.6 Ų63.674%0.73831%0.313SS*.PPolyproline II helixtrans-71.6142.6167.3-65.5-31.7000110.2T174N172-T174 PolarHBondContact O-N 2.75Å; N172-T174 VanDerWaalsContact O-N 3.13Å; N172-T174 PolarHBondContact O-OG1 3.45Å
173L90.3Very high96.5Very high46 Ų4660 Ų6024%0.24130%0.297CS..PPolyproline II helixtrans-56.9120.9171.2-171.6150.6000109.4A177 T184 H185 Y225L173-A177 HydrophobicContact CD1-CB 4.27Å; L173-A177 HydrophobicContact CD2-CB 4.26Å; L173-T184 HydrophobicContact CG-CG2 4.28Å; L173-H185 VanDerWaalsContact CD1-CE1 3.5Å; L173-H185 WeakPolarHBondContact CD1-CE1 3.07Å; L173-H185 VanDerWaalsContact CD1-ND1 3.33Å; L173-H185 WeakPolarHBondContact CD1-ND1 3.48Å; L173-Y225 HydrophobicContact CD1-CD2 4.05Å; L173-Y225 HydrophobicContact CD1-CG 4.22Å; L173-Y225 HydrophobicContact CD2-CD2 4.2Å; L173-Y225 HydrophobicContact CD2-CE2 3.86Å; L173-Y225 HydrophobicContact CG-CD2 4.49Å
174T90.7Very high96.4Very high37 Ų3753.3 Ų53.323%0.22727%0.266CS..  trans-118.3139.8178.4-56.10000108.5L152 N172 Q190L152-T174 HydrophobicContact CD1-CG2 4.18Å; L152-T174 HydrophobicContact CD2-CG2 3.65Å; L152-T174 HydrophobicContact CG-CG2 4.37Å; N172-T174 PolarHBondContact O-N 2.75Å; N172-T174 VanDerWaalsContact O-N 3.13Å; N172-T174 PolarHBondContact O-OG1 3.45Å; T174-Q190 PolarHBondContact O-NE2 2.59Å
175G92.1Very high96.4Very high11 Ų1153.1 Ų53.111%0.11327%0.266CS..SBendtrans85.9-169-175.900000113.8D128 A177D128-G175 WeakPolarHBondContact OD1-CA 3.37Å; G175-A177 PolarHBondContact O-N 3.15Å
176T94.9Very high96.3Very high42 Ų4255.8 Ų55.826%0.25828%0.28SS..  trans-84.7109.8-173.1-55.90000111.8D128 K130 R178 Y179 A180D128-T176 WeakPolarHBondContact OD1-CB 3.21Å; D128-T176 PolarHBondContact OD1-N 3.31Å; D128-T176 PolarHBondContact OD1-OG1 2.98Å; K130-T176 VanDerWaalsContact CD-OG1 3.29Å; K130-T176 WeakPolarHBondContact CD-OG1 3.22Å; T176-R178 HydrophobicContact CG2-CB 4.22Å; T176-R178 PolarHBondContact O-N 3.26Å; T176-Y179 HydrophobicContact CG2-CD2 3.84Å; T176-Y179 HydrophobicContact CG2-CE2 4.19Å; T176-Y179 PolarHBondContact O-N 3.09Å; T176-A180 PolarHBondContact O-N 3.28Å
177A96.7Very high96.3Very high5 Ų552.4 Ų52.44%0.04126%0.26CS..THydrogen-bonded Turntrans-50.5-31.8-175.800000115.3L173 G175 Y179 H185 Y225 I228 K232L173-A177 HydrophobicContact CD1-CB 4.27Å; L173-A177 HydrophobicContact CD2-CB 4.26Å; G175-A177 PolarHBondContact O-N 3.15Å; A177-Y179 VanDerWaalsContact C-N 3.29Å; A177-Y179 PolarHBondContact O-N 3.39Å; A177-H185 PolarHBondContact O-NE2 3.44Å; A177-Y225 HydrophobicContact CB-CD1 3.48Å; A177-Y225 VanDerWaalsContact CB-CD1 3.48Å; A177-Y225 HydrophobicContact CB-CE1 3.36Å; A177-Y225 HydrophobicContact CB-CG 4.23Å; A177-I228 HydrophobicContact CB-CD1 4.17Å; A177-K232 PolarHBondContact O-NZ 3.43Å
178R98.2Very high96.3Very high48 Ų4848.3 Ų48.318%0.18125%0.245CC..THydrogen-bonded Turntrans-58.4-40.1176.8-169.4-170.7-60.3151.40.2111.9T176 L211 W213 Q214 K232T176-R178 HydrophobicContact CG2-CB 4.22Å; T176-R178 PolarHBondContact O-N 3.26Å; R178-L211 HydrophobicContact CG-CD1 4.1Å; R178-W213 PolarHBondContact O-NE1 3.09Å; R178-Q214 HydrophobicContact CG-CG 4.14Å; R178-K232 WeakPolarHBondContact O-CE 3.31Å; R178-K232 PolarHBondContact O-NZ 3.46Å
179Y98.6Very high96.3Very high3 Ų342.2 Ų42.21%0.01222%0.222CC..THydrogen-bonded Turntrans-107.9-10.6-176.1-49.9-72000113.1V129 K130 P131 T176 A177 S198 Y201 V202 Y205 L211V129-Y179 WeakPolarHBondContact O-CB 3.31Å; K130-Y179 HydrophobicContact CB-CD2 3.53Å; K130-Y179 HydrophobicContact CB-CE2 3.77Å; K130-Y179 HydrophobicContact CB-CG 4.35Å; P131-Y179 VanDerWaalsContact CD-CZ 3.46Å; P131-Y179 HydrophobicContact CG-CE1 4.4Å; T176-Y179 HydrophobicContact CG2-CD2 3.84Å; T176-Y179 HydrophobicContact CG2-CE2 4.19Å; T176-Y179 PolarHBondContact O-N 3.09Å; A177-Y179 VanDerWaalsContact C-N 3.29Å; A177-Y179 PolarHBondContact O-N 3.39Å; Y179-S198 VanDerWaalsContact O-CA 3.24Å; Y179-S198 WeakPolarHBondContact O-CA 3.5Å; Y179-S198 WeakPolarHBondContact O-CB 3.42Å; Y179-S198 PolarHBondContact O-OG 2.97Å; Y179-Y201 WeakPolarHBondContact O-CD2 3.37Å; Y179-V202 HydrophobicContact CD1-CG2 3.59Å; Y179-V202 HydrophobicContact CE1-CG2 4Å; Y179-V202 HydrophobicContact CG-CG2 4Å; Y179-Y205 HydrophobicContact CE1-CD1 4.35Å; Y179-Y205 HydrophobicContact CE1-CG 4.09Å; Y179-L211 HydrophobicContact CD1-CD1 4.15Å; Y179-L211 HydrophobicContact CE1-CD1 4.06Å
180A98.4Very high96.3Very high6 Ų637.6 Ų37.65%0.0520%0.2CC..  trans-53.9142177.600000113T176 T184 K232T176-A180 PolarHBondContact O-N 3.28Å; A180-T184 HydrophobicContact CB-CG2 3.98Å; A180-K232 PolarHBondContact O-NZ 2.83Å
181S98.7Very high96.5Very high0 Ų030.2 Ų30.20%016%0.161CC..  trans-61.2162174.168.30000112.2N183 T184 H185 D194 E197S181-N183 VanDerWaalsContact C-N 3.31Å; S181-N183 PolarHBondContact O-N 3.28Å; S181-T184 WeakPolarHBondContact O-CB 3.43Å; S181-T184 PolarHBondContact O-N 2.67Å; S181-T184 WeakPolarHBondContact OG-CB 3.47Å; S181-T184 PolarHBondContact OG-N 3.25Å; S181-T184 VanDerWaalsContact OG-N 3.09Å; S181-T184 PolarHBondContact OG-OG1 3.04Å; S181-H185 PolarHBondContact O-CD2 3.01Å; S181-H185 PolarHBondContact O-N 2.86Å; S181-D194 VanDerWaalsContact CB-OD1 3.25Å; S181-D194 WeakPolarHBondContact CB-OD1 3.41Å; S181-D194 PolarHBondContact OG-OD1 2.96Å; S181-E197 WeakPolarHBondContact CA-OE1 3.35Å
182I98.4Very high96.7Very high23 Ų2327.6 Ų27.612%0.11815%0.149CC..Hα-helixtrans-59.4-44.8172.2-69.9179.7000110.5T184 H185 L186 E197 K232 M233 R256I182-T184 PolarHBondContact O-N 2.87Å; I182-H185 WeakPolarHBondContact O-CB 3.48Å; I182-H185 PolarHBondContact O-N 3.18Å; I182-L186 HydrophobicContact CG2-CD1 3.9Å; I182-L186 HydrophobicContact CG2-CG 4.28Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 2.97Å; I182-E197 PolarHBondContact N-OE1 3.27Å; I182-K232 HydrophobicContact CG1-CB 4.29Å; I182-M233 HydrophobicContact CD1-CG 4.2Å; I182-M233 HydrophobicContact CG1-CG 4.45Å; I182-M233 HydrophobicContact CG2-CG 3.87Å; I182-M233 HydrophobicContact CG2-SD 4.24Å; I182-R256 VanDerWaalsContact CD1-CZ 3.44Å; I182-R256 VanDerWaalsContact CD1-NH2 3.32Å
183N98.4Very high97Very high29 Ų2922.3 Ų22.316%0.15512%0.119CC..Hα-helixtrans-56.8-38.2177.8-66.6-40000112.5S181 H185 L186 G187 I188 R193 D194S181-N183 VanDerWaalsContact C-N 3.31Å; S181-N183 PolarHBondContact O-N 3.28Å; N183-H185 VanDerWaalsContact C-N 3.33Å; N183-H185 PolarHBondContact O-N 2.86Å; N183-L186 CarbonylContact O-C 3.43Å; N183-L186 PolarHBondContact O-N 2.68Å; N183-G187 PolarHBondContact O-N 2.74Å; N183-I188 HydrophobicContact CB-CB 4.1Å; N183-I188 HydrophobicContact CB-CD1 4.22Å; N183-I188 HydrophobicContact CB-CG2 4.47Å; N183-I188 WeakPolarHBondContact O-CB 3.26Å; N183-I188 PolarHBondContact O-N 3.09Å; N183-R193 PolarHBondContact ND2-NE 2.89Å; N183-D194 WeakPolarHBondContact CB-OD1 3.09Å
184T97.9Very high97.5Very high5 Ų520.1 Ų20.13%0.03111%0.107CC..Hα-helixtrans-63.2-39.3176.4-61.50000112L173 A180 S181 I182 L186 G187 Q190L173-T184 HydrophobicContact CG-CG2 4.28Å; A180-T184 HydrophobicContact CB-CG2 3.98Å; S181-T184 WeakPolarHBondContact O-CB 3.43Å; S181-T184 PolarHBondContact O-N 2.67Å; S181-T184 WeakPolarHBondContact OG-CB 3.47Å; S181-T184 PolarHBondContact OG-N 3.25Å; S181-T184 VanDerWaalsContact OG-N 3.09Å; S181-T184 PolarHBondContact OG-OG1 3.04Å; I182-T184 PolarHBondContact O-N 2.87Å; T184-L186 VanDerWaalsContact C-N 3.31Å; T184-G187 PolarHBondContact O-N 3Å; T184-Q190 HydrophobicContact CG2-CG 4.48Å; T184-Q190 VanDerWaalsContact CG2-NE2 3.34Å; T184-Q190 VanDerWaalsContact OG1-CG 3.24Å; T184-Q190 WeakPolarHBondContact OG1-CG 3.27Å; T184-Q190 PolarHBondContact OG1-NE2 3.34Å
185H97.4Very high97.8Very high30 Ų3018.4 Ų18.414%0.13910%0.097CC..Hα-helixtrans-68-32.7174.9-80.8-77.1000112.5L173 A177 S181 I182 N183 G187 S229L173-H185 VanDerWaalsContact CD1-CE1 3.5Å; L173-H185 WeakPolarHBondContact CD1-CE1 3.07Å; L173-H185 VanDerWaalsContact CD1-ND1 3.33Å; L173-H185 WeakPolarHBondContact CD1-ND1 3.48Å; A177-H185 PolarHBondContact O-NE2 3.44Å; S181-H185 PolarHBondContact O-CD2 3.01Å; S181-H185 PolarHBondContact O-N 2.86Å; I182-H185 WeakPolarHBondContact O-CB 3.48Å; I182-H185 PolarHBondContact O-N 3.18Å; N183-H185 VanDerWaalsContact C-N 3.33Å; N183-H185 PolarHBondContact O-N 2.86Å; H185-G187 PolarHBondContact O-N 3.26Å; H185-S229 VanDerWaalsContact CB-OG 3.27Å; H185-S229 WeakPolarHBondContact CB-OG 3.47Å
186L97.1Very high98.2Very high94 Ų9417.9 Ų17.949%0.4929%0.091SC..THydrogen-bonded Turntrans-76.33.1175.3-62.3176.2000113.4I182 N183 T184 I188 M233I182-L186 HydrophobicContact CG2-CD1 3.9Å; I182-L186 HydrophobicContact CG2-CG 4.28Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 2.97Å; N183-L186 CarbonylContact O-C 3.43Å; N183-L186 PolarHBondContact O-N 2.68Å; T184-L186 VanDerWaalsContact C-N 3.31Å; L186-I188 VanDerWaalsContact C-N 3.27Å; L186-I188 HydrophobicContact CB-CD1 4.21Å; L186-I188 HydrophobicContact CB-CG1 4.25Å; L186-I188 PolarHBondContact O-N 2.69Å; L186-M233 HydrophobicContact CD2-SD 4Å
187G97.5Very high98.4Very high8 Ų816 Ų168%0.0828%0.079CC..THydrogen-bonded Turntrans71.821.1179.100000113.6E169 N170 K171 N183 T184 H185E169-G187 CarbonylContact C-O 3.55Å; E169-G187 VanDerWaalsContact CA-O 3.31Å; E169-G187 WeakPolarHBondContact CA-O 3.39Å; N170-G187 PolarHBondContact N-O 3.32Å; K171-G187 VanDerWaalsContact CB-O 3.27Å; K171-G187 WeakPolarHBondContact CB-O 3.41Å; K171-G187 WeakPolarHBondContact CG-O 3.12Å; K171-G187 PolarHBondContact N-O 3.37Å; K171-G187 VanDerWaalsContact O-CA 3.28Å; K171-G187 WeakPolarHBondContact O-CA 3.17Å; N183-G187 PolarHBondContact O-N 2.74Å; T184-G187 PolarHBondContact O-N 3Å; H185-G187 PolarHBondContact O-N 3.26Å
188I98.5Very high98.5Very high19 Ų1916.1 Ų16.110%0.0978%0.08CC..PPolyproline II helixtrans-81.7139.3173.9-59.3171.6000108.6Y167 E169 N183 L186 Q190Y167-I188 HydrophobicContact CD2-CG2 4.2Å; Y167-I188 HydrophobicContact CE2-CG2 3.4Å; Y167-I188 VanDerWaalsContact CE2-CG2 3.4Å; Y167-I188 WeakPolarHBondContact OH-CD1 3.45Å; E169-I188 HydrophobicContact CG-CG1 4.48Å; N183-I188 HydrophobicContact CB-CB 4.1Å; N183-I188 HydrophobicContact CB-CD1 4.22Å; N183-I188 HydrophobicContact CB-CG2 4.47Å; N183-I188 WeakPolarHBondContact O-CB 3.26Å; N183-I188 PolarHBondContact O-N 3.09Å; L186-I188 VanDerWaalsContact C-N 3.27Å; L186-I188 HydrophobicContact CB-CD1 4.21Å; L186-I188 HydrophobicContact CB-CG1 4.25Å; L186-I188 PolarHBondContact O-N 2.69Å; I188-Q190 PolarHBondContact O-N 3.43Å
189E98.6Very high98.5Very high9 Ų913.8 Ų13.84%0.0427%0.072CC..PPolyproline II helixtrans-55.6132.9172.9-175.381.8-10400109.8K154 I165 R168 K171 F260K154-E189 IonicContact NZ-OE1 2.71Å; K154-E189 PolarHBondContact NZ-OE1 3.37Å; K154-E189 IonicContact NZ-OE2 2.75Å; K154-E189 PolarHBondContact NZ-OE2 3.02Å; I165-E189 HydrophobicContact CD1-CG 3.89Å; R168-E189 HydrophobicContact CB-CB 4.11Å; R168-E189 WeakPolarHBondContact O-CB 3.43Å; R168-E189 PolarHBondContact O-N 3.18Å; K171-E189 WeakPolarHBondContact CE-OE2 3.41Å; K171-E189 HydrophobicContact CG-CB 4.34Å; K171-E189 IonicContact NZ-OE1 2.75Å; K171-E189 IonicContact NZ-OE2 2.78Å; K171-E189 PolarHBondContact NZ-OE2 3.37Å; E189-F260 HydrophobicContact CB-CE2 4.35Å; E189-F260 HydrophobicContact CB-CZ 4.42Å; E189-F260 HydrophobicContact CG-CZ 4.36Å; E189-F260 WeakPolarHBondContact O-CE2 3.38Å
190Q98.8Very high98.5Very high11 Ų1113.8 Ų13.85%0.0517%0.072CC..PPolyproline II helixtrans-73.5148179.8-67.6177.235.800111.3I125 R127 T174 T184 I188 D194I125-Q190 HydrophobicContact CD1-CB 4.02Å; I125-Q190 WeakPolarHBondContact CD1-O 3.42Å; R127-Q190 VanDerWaalsContact CA-OE1 3.26Å; R127-Q190 HydrophobicContact CG-CB 4.32Å; R127-Q190 VanDerWaalsContact CG-OE1 3.23Å; T174-Q190 PolarHBondContact O-NE2 2.59Å; T184-Q190 HydrophobicContact CG2-CG 4.48Å; T184-Q190 VanDerWaalsContact CG2-NE2 3.34Å; T184-Q190 VanDerWaalsContact OG1-CG 3.24Å; T184-Q190 WeakPolarHBondContact OG1-CG 3.27Å; T184-Q190 PolarHBondContact OG1-NE2 3.34Å; I188-Q190 PolarHBondContact O-N 3.43Å; Q190-D194 WeakPolarHBondContact CA-OD2 3.47Å; Q190-D194 HydrophobicContact CB-CB 4.13Å; Q190-D194 HydrophobicContact CG-CB 4.12Å
191S98.9Very high98.5Very high1 Ų113.5 Ų13.51%0.0077%0.07CC..  trans-135.6-166.6167.880.60000110.9R193 D194 F260S191-R193 PolarHBondContact O-N 3.26Å; S191-D194 PolarHBondContact N-OD2 3.02Å; S191-D194 PolarHBondContact O-N 3.33Å; S191-D194 VanDerWaalsContact O-N 3.1Å; S191-F260 WeakPolarHBondContact CB-O 3.19Å; S191-F260 PolarHBondContact OG-O 2.93Å
192R98.9Very high98.6Very high14 Ų1413.5 Ų13.55%0.0537%0.07CC..Hα-helixtrans-57.2-31.8-176.5-66.1173.4-76.8-158.2-3.1113.7H120 I125 Y156 D194 L196 D261 D262 P264H120-R192 HydrophobicContact CB-CG 4.28Å; H120-R192 PolarHBondContact CE1-O 3.36Å; I125-R192 HydrophobicContact CG2-CG 4.2Å; Y156-R192 HydrophobicContact CD1-CG 4.49Å; Y156-R192 HydrophobicContact CD2-CG 4.24Å; Y156-R192 HydrophobicContact CE1-CG 4.2Å; Y156-R192 HydrophobicContact CE2-CG 3.95Å; Y156-R192 PolarHBondContact OH-NH1 2.86Å; R192-D194 VanDerWaalsContact C-N 3.26Å; R192-D194 PolarHBondContact O-N 2.97Å; R192-L196 PolarHBondContact O-N 3.43Å; R192-D261 PolarHBondContact NH2-O 2.94Å; R192-D262 PolarHBondContact NE-O 3.1Å; R192-D262 VanDerWaalsContact NE-O 3.13Å; R192-D262 PolarHBondContact NH2-O 3.06Å; R192-P264 HydrophobicContact CB-CG 3.92Å
193R98.9Very high98.6Very high27 Ų2712.4 Ų12.410%0.1026%0.064CC..Hα-helixtrans-65.8-31.7-179.868.8-171.8176.3170.91.6112.2N183 S191 L196 E197 L258N183-R193 PolarHBondContact ND2-NE 2.89Å; S191-R193 PolarHBondContact O-N 3.26Å; R193-L196 PolarHBondContact O-N 3.21Å; R193-E197 WeakPolarHBondContact O-CB 3.46Å; R193-E197 PolarHBondContact O-N 2.98Å; R193-L258 HydrophobicContact CB-CB 3.79Å; R193-L258 HydrophobicContact CB-CD1 3.81Å; R193-L258 HydrophobicContact CB-CG 4.48Å; R193-L258 VanDerWaalsContact CD-O 3.24Å; R193-L258 WeakPolarHBondContact CD-O 3.29Å; R193-L258 PolarHBondContact NH1-O 3.44Å
194D98.9Very high98.6Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-74.1-39.6-175.6-58.8-76.4000111.7S181 N183 Q190 S191 R192 L196 E197 S198S181-D194 VanDerWaalsContact CB-OD1 3.25Å; S181-D194 WeakPolarHBondContact CB-OD1 3.41Å; S181-D194 PolarHBondContact OG-OD1 2.96Å; N183-D194 WeakPolarHBondContact CB-OD1 3.09Å; Q190-D194 WeakPolarHBondContact CA-OD2 3.47Å; Q190-D194 HydrophobicContact CB-CB 4.13Å; Q190-D194 HydrophobicContact CG-CB 4.12Å; S191-D194 PolarHBondContact N-OD2 3.02Å; S191-D194 PolarHBondContact O-N 3.33Å; S191-D194 VanDerWaalsContact O-N 3.1Å; R192-D194 VanDerWaalsContact C-N 3.26Å; R192-D194 PolarHBondContact O-N 2.97Å; D194-L196 VanDerWaalsContact C-N 3.29Å; D194-L196 PolarHBondContact O-N 3.11Å; D194-E197 PolarHBondContact O-N 3.5Å; D194-S198 WeakPolarHBondContact O-CB 3.44Å; D194-S198 PolarHBondContact O-N 2.85Å; D194-S198 PolarHBondContact O-OG 2.81Å
195D98.9Very high98.7Very high1 Ų110.9 Ų10.91%0.0056%0.056CC..Hα-helixtrans-60.3-39.8172.3-80.1-21000111.5I116 H120 I125 H126 R127 V129 L199I116-D195 HydrophobicContact CG2-CB 4.01Å; H120-D195 IonicContact CD2-OD2 3.83Å; H120-D195 IonicContact NE2-OD2 3.64Å; H120-D195 PolarHBondContact NE2-OD2 3.42Å; H120-D195 VanDerWaalsContact NE2-OD2 3.15Å; I125-D195 WeakPolarHBondContact CA-OD2 3.35Å; H126-D195 PolarHBondContact N-OD2 3.39Å; R127-D195 WeakPolarHBondContact CA-OD1 3.31Å; R127-D195 PolarHBondContact N-OD1 3Å; V129-D195 HydrophobicContact CG2-CB 4.02Å; D195-L199 PolarHBondContact O-N 3.06Å
196L98.9Very high98.7Very high0 Ų09.4 Ų9.40%05%0.049CC..Hα-helixtrans-73.1-41178.6-69.2174.5000112.6I116 R192 R193 D194 S198 L199 G200 Y251 P264 Y266 L269I116-L196 HydrophobicContact CG2-CD2 3.9Å; I116-L196 HydrophobicContact CG2-CG 4.34Å; R192-L196 PolarHBondContact O-N 3.43Å; R193-L196 PolarHBondContact O-N 3.21Å; D194-L196 VanDerWaalsContact C-N 3.29Å; D194-L196 PolarHBondContact O-N 3.11Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 3.41Å; L196-L199 WeakPolarHBondContact O-CB 3.23Å; L196-L199 PolarHBondContact O-N 2.88Å; L196-G200 PolarHBondContact O-N 3.27Å; L196-Y251 VanDerWaalsContact O-CE1 3.22Å; L196-Y251 WeakPolarHBondContact O-CE1 3.47Å; L196-Y251 PolarHBondContact O-OH 2.68Å; L196-P264 HydrophobicContact CD1-CB 3.38Å; L196-P264 HydrophobicContact CD1-CG 3.5Å; L196-P264 VanDerWaalsContact CD1-CG 3.5Å; L196-Y266 HydrophobicContact CD1-CD1 4.19Å; L196-Y266 HydrophobicContact CD1-CE1 3.86Å; L196-Y266 HydrophobicContact CD2-CD1 4.24Å; L196-Y266 HydrophobicContact CD2-CE1 4.24Å; L196-Y266 HydrophobicContact CG-CE1 4.39Å; L196-L269 HydrophobicContact CD1-CD1 3.94Å; L196-L269 HydrophobicContact CD2-CD1 4.38Å
197E98.9Very high98.8Very high2 Ų25.6 Ų5.61%0.0093%0.029CC..Hα-helixtrans-61.6-43.2173.9-170.8-176.1137.300110.6S181 I182 R193 D194 L199 G200 Y201 L252 C255S181-E197 WeakPolarHBondContact CA-OE1 3.35Å; I182-E197 PolarHBondContact N-OE1 3.27Å; R193-E197 WeakPolarHBondContact O-CB 3.46Å; R193-E197 PolarHBondContact O-N 2.98Å; D194-E197 PolarHBondContact O-N 3.5Å; E197-L199 VanDerWaalsContact C-N 3.33Å; E197-L199 PolarHBondContact O-N 3.19Å; E197-G200 WeakPolarHBondContact O-CA 3.29Å; E197-G200 PolarHBondContact O-N 3.01Å; E197-Y201 HydrophobicContact CG-CD2 4.49Å; E197-Y201 HydrophobicContact CG-CE2 3.72Å; E197-Y201 WeakPolarHBondContact O-CD2 3.5Å; E197-Y201 PolarHBondContact O-N 2.93Å; E197-Y201 VanDerWaalsContact O-N 3.11Å; E197-Y201 WeakPolarHBondContact OE1-CE2 3.16Å; E197-Y201 PolarHBondContact OE1-OH 2.82Å; E197-L252 HydrophobicContact CG-CD2 4.42Å; E197-C255 HydrophobicContact CB-CB 4.08Å
198S98.9Very high98.8Very high8 Ų88.2 Ų8.26%0.0564%0.041CC..Hα-helixtrans-58.2-42.9173.2-72.90000112.5Y179 D194 L196 G200 Y201 V202Y179-S198 VanDerWaalsContact O-CA 3.24Å; Y179-S198 WeakPolarHBondContact O-CA 3.5Å; Y179-S198 WeakPolarHBondContact O-CB 3.42Å; Y179-S198 PolarHBondContact O-OG 2.97Å; D194-S198 WeakPolarHBondContact O-CB 3.44Å; D194-S198 PolarHBondContact O-N 2.85Å; D194-S198 PolarHBondContact O-OG 2.81Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 3.41Å; S198-G200 VanDerWaalsContact C-N 3.3Å; S198-G200 PolarHBondContact O-N 2.87Å; S198-Y201 PolarHBondContact O-N 3.22Å; S198-V202 WeakPolarHBondContact O-CG2 3.35Å; S198-V202 PolarHBondContact O-N 3.15Å
199L98.9Very high98.8Very high0 Ų08 Ų80%04%0.044CC..Hα-helixtrans-59.6-40.8173178.459.6000111.7M112 I113 I116 V129 D195 L196 E197 Y201 V202 L203M112-L199 HydrophobicContact CB-CD1 3.76Å; M112-L199 HydrophobicContact CB-CD2 3.96Å; M112-L199 HydrophobicContact CE-CD1 3.32Å; M112-L199 HydrophobicContact CG-CD1 4.38Å; M112-L199 HydrophobicContact SD-CD1 3.87Å; I113-L199 HydrophobicContact CB-CD2 4.44Å; I113-L199 HydrophobicContact CG1-CD2 3.61Å; I116-L199 HydrophobicContact CD1-CB 3.87Å; I116-L199 HydrophobicContact CD1-CD2 3.78Å; I116-L199 HydrophobicContact CD1-CG 4.32Å; V129-L199 HydrophobicContact CG1-CB 4.09Å; D195-L199 PolarHBondContact O-N 3.06Å; L196-L199 WeakPolarHBondContact O-CB 3.23Å; L196-L199 PolarHBondContact O-N 2.88Å; E197-L199 VanDerWaalsContact C-N 3.33Å; E197-L199 PolarHBondContact O-N 3.19Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 3.26Å; L199-V202 HydrophobicContact CD1-CB 4.49Å; L199-V202 WeakPolarHBondContact O-CA 3.35Å; L199-V202 WeakPolarHBondContact O-CB 3.45Å; L199-V202 PolarHBondContact O-N 3.06Å; L199-L203 HydrophobicContact CD1-CD2 4.36Å; L199-L203 HydrophobicContact CD1-CG 4.22Å; L199-L203 HydrophobicContact CG-CD1 4.36Å; L199-L203 HydrophobicContact CG-CG 4.36Å; L199-L203 WeakPolarHBondContact O-CG 3.31Å; L199-L203 PolarHBondContact O-N 3.2Å
200G98.9Very high98.8Very high3 Ų310.7 Ų10.73%0.0316%0.064CC..Hα-helixtrans-58.3-42.117600000112.7L196 E197 S198 L203 M204L196-G200 PolarHBondContact O-N 3.27Å; E197-G200 WeakPolarHBondContact O-CA 3.29Å; E197-G200 PolarHBondContact O-N 3.01Å; S198-G200 VanDerWaalsContact C-N 3.3Å; S198-G200 PolarHBondContact O-N 2.87Å; G200-L203 PolarHBondContact O-N 2.91Å; G200-M204 PolarHBondContact O-N 3.49Å
201Y98.9Very high98.8Very high0 Ų010.4 Ų10.40%06%0.062CC..Hα-helixtrans-66.6-34.9173.2-60.6-43.9000112.9Y179 E197 S198 L199 Y205 W213 L240 L252 R256Y179-Y201 WeakPolarHBondContact O-CD2 3.37Å; E197-Y201 HydrophobicContact CG-CD2 4.49Å; E197-Y201 HydrophobicContact CG-CE2 3.72Å; E197-Y201 WeakPolarHBondContact O-CD2 3.5Å; E197-Y201 PolarHBondContact O-N 2.93Å; E197-Y201 VanDerWaalsContact O-N 3.11Å; E197-Y201 WeakPolarHBondContact OE1-CE2 3.16Å; E197-Y201 PolarHBondContact OE1-OH 2.82Å; S198-Y201 PolarHBondContact O-N 3.22Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 3.26Å; Y201-Y205 VanDerWaalsContact O-CB 3.27Å; Y201-Y205 WeakPolarHBondContact O-CB 3.41Å; Y201-Y205 PolarHBondContact O-N 2.96Å; Y201-W213 AromaticContact CD1-CH2 3.65Å; Y201-W213 HydrophobicContact CD1-CH2 3.65Å; Y201-W213 AromaticContact CD1-CZ2 3.75Å; Y201-W213 HydrophobicContact CD1-CZ2 3.75Å; Y201-W213 AromaticContact CE1-CH2 3.79Å; Y201-W213 HydrophobicContact CE1-CH2 3.79Å; Y201-W213 HydrophobicContact CE1-CZ2 4.18Å; Y201-W213 HydrophobicContact CG-CH2 4.39Å; Y201-W213 HydrophobicContact CG-CZ2 4.03Å; Y201-L240 HydrophobicContact CD1-CD2 4.13Å; Y201-L240 HydrophobicContact CE1-CD2 4.17Å; Y201-L252 HydrophobicContact CD1-CD2 4.1Å; Y201-L252 HydrophobicContact CE1-CD2 3.96Å; Y201-R256 PolarHBondContact OH-NH2 3.09Å
202V98.9Very high98.8Very high0 Ų013.1 Ų13.10%08%0.08CC..Hα-helixtrans-64.3-44174169.70000111.4M112 P131 Y179 S198 L199 Y205 F206M112-V202 HydrophobicContact CE-CG1 3.84Å; P131-V202 HydrophobicContact CG-CG1 3.99Å; P131-V202 HydrophobicContact CG-CG2 4.48Å; Y179-V202 HydrophobicContact CD1-CG2 3.59Å; Y179-V202 HydrophobicContact CE1-CG2 4Å; Y179-V202 HydrophobicContact CG-CG2 4Å; S198-V202 WeakPolarHBondContact O-CG2 3.35Å; S198-V202 PolarHBondContact O-N 3.15Å; L199-V202 HydrophobicContact CD1-CB 4.49Å; L199-V202 WeakPolarHBondContact O-CA 3.35Å; L199-V202 WeakPolarHBondContact O-CB 3.45Å; L199-V202 PolarHBondContact O-N 3.06Å; V202-Y205 WeakPolarHBondContact O-CB 3.49Å; V202-Y205 PolarHBondContact O-N 2.83Å; V202-F206 HydrophobicContact CG1-CD2 4.07Å; V202-F206 HydrophobicContact CG1-CE2 3.44Å; V202-F206 VanDerWaalsContact CG1-CE2 3.44Å; V202-F206 HydrophobicContact CG1-CZ 3.8Å; V202-F206 WeakPolarHBondContact O-CD2 3.47Å; V202-F206 PolarHBondContact O-N 3.2Å
203L98.9Very high98.7Very high0 Ų012.7 Ų12.70%08%0.078CC..Hα-helixtrans-63.6-43.3176.9-63178.1000111.4V105 A109 M112 L199 G200 Y205 F206 N207 F248 F273V105-L203 HydrophobicContact CG1-CB 4.4Å; V105-L203 HydrophobicContact CG1-CD2 4.12Å; A109-L203 HydrophobicContact CB-CD1 3.78Å; A109-L203 HydrophobicContact CB-CD2 3.81Å; A109-L203 HydrophobicContact CB-CG 4.47Å; M112-L203 HydrophobicContact SD-CD2 4.4Å; L199-L203 HydrophobicContact CD1-CD2 4.36Å; L199-L203 HydrophobicContact CD1-CG 4.22Å; L199-L203 HydrophobicContact CG-CD1 4.36Å; L199-L203 HydrophobicContact CG-CG 4.36Å; L199-L203 WeakPolarHBondContact O-CG 3.31Å; L199-L203 PolarHBondContact O-N 3.2Å; G200-L203 PolarHBondContact O-N 2.91Å; L203-Y205 VanDerWaalsContact C-N 3.31Å; L203-Y205 PolarHBondContact O-N 2.74Å; L203-F206 PolarHBondContact O-N 2.89Å; L203-N207 PolarHBondContact O-N 2.64Å; L203-N207 VanDerWaalsContact O-N 3.08Å; L203-F248 HydrophobicContact CB-CD1 4.28Å; L203-F248 HydrophobicContact CB-CE1 4.1Å; L203-F273 HydrophobicContact CD1-CE2 3.85Å; L203-F273 HydrophobicContact CD1-CZ 3.89Å
204M98.9Very high98.6Very high0 Ų014 Ų140%09%0.085CC..Hα-helixtrans-66.1-33.2174.7-74-51.8-55.500113G200 N207 L208 L211 L240 C241 Y244 F248 L252G200-M204 PolarHBondContact O-N 3.49Å; M204-N207 HydrophobicContact CE-CB 4.41Å; M204-N207 WeakPolarHBondContact O-CB 3.24Å; M204-N207 PolarHBondContact O-N 2.69Å; M204-L208 HydrophobicContact CB-CD1 4.41Å; M204-L208 HydrophobicContact CE-CD1 3.81Å; M204-L208 HydrophobicContact CE-CG 4Å; M204-L208 VanDerWaalsContact O-CB 3.29Å; M204-L208 WeakPolarHBondContact O-CB 3.45Å; M204-L208 WeakPolarHBondContact O-CD1 3.39Å; M204-L208 VanDerWaalsContact O-CG 3.31Å; M204-L208 WeakPolarHBondContact O-CG 3.41Å; M204-L208 PolarHBondContact O-N 3.38Å; M204-L211 HydrophobicContact CB-CD2 4.2Å; M204-L240 WeakPolarHBondContact CE-O 3.42Å; M204-L240 HydrophobicContact CG-CD2 4.46Å; M204-L240 HydrophobicContact CG-CG 4.48Å; M204-C241 HydrophobicContact CE-CB 4.34Å; M204-C241 HydrophobicContact SD-CB 4.47Å; M204-Y244 HydrophobicContact CE-CD2 3.97Å; M204-Y244 HydrophobicContact CE-CG 4.3Å; M204-F248 HydrophobicContact SD-CB 3.6Å; M204-F248 VanDerWaalsContact SD-CB 3.6Å; M204-F248 HydrophobicContact SD-CD1 4.01Å; M204-F248 HydrophobicContact SD-CG 3.84Å; M204-L252 HydrophobicContact CG-CD1 4.21Å
205Y98.9Very high98.4Very high1 Ų117.6 Ų17.60%0.00412%0.123CC..Hα-helixtrans-61.8-42.7172.8166.5-101.6000112E90 F93 R98 P131 Y179 Y201 V202 L203 L208 G209 L211E90-Y205 PolarHBondContact OE1-OH 3.26Å; E90-Y205 VanDerWaalsContact OE2-CE1 3.27Å; E90-Y205 WeakPolarHBondContact OE2-CE1 3.43Å; E90-Y205 PolarHBondContact OE2-OH 3.44Å; F93-Y205 AromaticContact CD1-CE1 3.79Å; F93-Y205 HydrophobicContact CD1-CE1 3.79Å; F93-Y205 AromaticContact CD1-CZ 3.98Å; F93-Y205 HydrophobicContact CE1-CD1 4.34Å; F93-Y205 AromaticContact CE1-CE1 3.74Å; F93-Y205 HydrophobicContact CE1-CE1 3.74Å; F93-Y205 HydrophobicContact CE1-CE2 4.38Å; F93-Y205 AromaticContact CE1-CZ 3.78Å; R98-Y205 PolarHBondContact NH1-OH 3Å; R98-Y205 VanDerWaalsContact NH2-CZ 3.34Å; R98-Y205 PolarHBondContact NH2-OH 2.73Å; P131-Y205 HydrophobicContact CG-CD1 3.94Å; P131-Y205 HydrophobicContact CG-CE1 3.85Å; Y179-Y205 HydrophobicContact CE1-CD1 4.35Å; Y179-Y205 HydrophobicContact CE1-CG 4.09Å; Y201-Y205 VanDerWaalsContact O-CB 3.27Å; Y201-Y205 WeakPolarHBondContact O-CB 3.41Å; Y201-Y205 PolarHBondContact O-N 2.96Å; V202-Y205 WeakPolarHBondContact O-CB 3.49Å; V202-Y205 PolarHBondContact O-N 2.83Å; L203-Y205 VanDerWaalsContact C-N 3.31Å; L203-Y205 PolarHBondContact O-N 2.74Å; Y205-L208 PolarHBondContact O-N 3.07Å; Y205-G209 PolarHBondContact O-N 2.94Å; Y205-L211 HydrophobicContact CD2-CG 4.38Å
206F98.9Very high98.1Very high0 Ų020 Ų200%014%0.136CC..Hα-helixtrans-65.7-38175.6-66.4-39.7000113.1L89 F93 F100 V105 P131 V202 L203L89-F206 HydrophobicContact CB-CE1 4.43Å; L89-F206 HydrophobicContact CB-CZ 3.8Å; L89-F206 HydrophobicContact CD1-CE2 4.2Å; L89-F206 HydrophobicContact CD1-CZ 4.1Å; F93-F206 HydrophobicContact CB-CD1 4.44Å; F93-F206 HydrophobicContact CB-CE1 4.29Å; F93-F206 HydrophobicContact CD1-CD1 4.37Å; F93-F206 AromaticContact CD2-CD1 3.82Å; F93-F206 HydrophobicContact CD2-CD1 3.82Å; F93-F206 HydrophobicContact CD2-CE1 4.47Å; F93-F206 HydrophobicContact CE2-CB 4.34Å; F93-F206 AromaticContact CE2-CD1 3.99Å; F93-F206 HydrophobicContact CE2-CD1 3.99Å; F93-F206 WeakPolarHBondContact CE2-O 3.48Å; F93-F206 AromaticContact CG-CD1 3.99Å; F93-F206 HydrophobicContact CG-CD1 3.99Å; F93-F206 HydrophobicContact CG-CE1 4.28Å; F93-F206 HydrophobicContact CZ-CD1 4.31Å; F100-F206 HydrophobicContact CD2-CB 3.86Å; F100-F206 AromaticContact CD2-CD1 3.75Å; F100-F206 HydrophobicContact CD2-CD1 3.75Å; F100-F206 HydrophobicContact CD2-CD2 4.34Å; F100-F206 HydrophobicContact CD2-CE1 4.38Å; F100-F206 AromaticContact CD2-CG 3.74Å; F100-F206 HydrophobicContact CD2-CG 3.74Å; F100-F206 AromaticContact CE2-CD1 3.66Å; F100-F206 HydrophobicContact CE2-CD1 3.66Å; F100-F206 HydrophobicContact CE2-CD2 4.49Å; F100-F206 AromaticContact CE2-CE1 3.84Å; F100-F206 HydrophobicContact CE2-CE1 3.84Å; F100-F206 HydrophobicContact CE2-CG 4.03Å; F100-F206 HydrophobicContact CE2-CZ 4.32Å; V105-F206 HydrophobicContact CG2-CB 3.86Å; P131-F206 HydrophobicContact CB-CE1 3.96Å; P131-F206 HydrophobicContact CB-CZ 3.81Å; P131-F206 HydrophobicContact CG-CE1 3.97Å; P131-F206 HydrophobicContact CG-CZ 3.9Å; V202-F206 HydrophobicContact CG1-CD2 4.07Å; V202-F206 HydrophobicContact CG1-CE2 3.44Å; V202-F206 VanDerWaalsContact CG1-CE2 3.44Å; V202-F206 HydrophobicContact CG1-CZ 3.8Å; V202-F206 WeakPolarHBondContact O-CD2 3.47Å; V202-F206 PolarHBondContact O-N 3.2Å; L203-F206 PolarHBondContact O-N 2.89Å
207N98.6Very high97.9Very high13 Ų1328.6 Ų28.67%0.0717%0.173CC..Hα-helixtrans-62.8-50.4173.9-81.3-18.8000111.6L203 M204 Y244 F248L203-N207 PolarHBondContact O-N 2.64Å; L203-N207 VanDerWaalsContact O-N 3.08Å; M204-N207 HydrophobicContact CE-CB 4.41Å; M204-N207 WeakPolarHBondContact O-CB 3.24Å; M204-N207 PolarHBondContact O-N 2.69Å; N207-Y244 HydrophobicContact CB-CD1 3.71Å; N207-Y244 HydrophobicContact CB-CE1 3.44Å; N207-Y244 VanDerWaalsContact CB-CE1 3.44Å; N207-Y244 HydrophobicContact CB-CG 4.36Å; N207-Y244 PolarHBondContact O-OH 3.17Å; N207-F248 VanDerWaalsContact ND2-CE1 3.27Å; N207-F248 WeakPolarHBondContact ND2-CE1 3.28Å; N207-F248 WeakPolarHBondContact ND2-CE2 3.44Å; N207-F248 WeakPolarHBondContact ND2-CZ 3.43Å
208L98.4Very high97.6Very high63 Ų6330.2 Ų30.233%0.3319%0.187SC..Hα-helixtrans-87-16.7-169.1-68.7164.7000114.9M204 Y205 S210 L211 L240 Y244M204-L208 HydrophobicContact CB-CD1 4.41Å; M204-L208 HydrophobicContact CE-CD1 3.81Å; M204-L208 HydrophobicContact CE-CG 4Å; M204-L208 VanDerWaalsContact O-CB 3.29Å; M204-L208 WeakPolarHBondContact O-CB 3.45Å; M204-L208 WeakPolarHBondContact O-CD1 3.39Å; M204-L208 VanDerWaalsContact O-CG 3.31Å; M204-L208 WeakPolarHBondContact O-CG 3.41Å; M204-L208 PolarHBondContact O-N 3.38Å; Y205-L208 PolarHBondContact O-N 3.07Å; L208-S210 WeakPolarHBondContact CB-O 3.49Å; L208-S210 PolarHBondContact O-N 3.2Å; L208-L211 HydrophobicContact CD1-CD2 4.46Å; L208-L240 HydrophobicContact CD1-CD1 3.96Å; L208-Y244 HydrophobicContact CD2-CD2 4.32Å; L208-Y244 HydrophobicContact CD2-CE2 3.43Å; L208-Y244 VanDerWaalsContact CD2-CE2 3.43Å; L208-Y244 HydrophobicContact CG-CE2 4.1Å
209G97.9Very high97.4Very high16 Ų1634.3 Ų34.317%0.16522%0.221CC..SBendtrans79.9-30-168.700000113.7R98 Y205R98-G209 PolarHBondContact NH2-O 3.42Å; R98-G209 WeakPolarHBondContact O-CA 3.44Å; Y205-G209 PolarHBondContact O-N 2.94Å
210S98.1Very high97.1Very high65 Ų6537.6 Ų37.646%0.45524%0.241SC..SBendtrans-157.8154.7174.763.90000111.6L208 Q214L208-S210 WeakPolarHBondContact CB-O 3.49Å; L208-S210 PolarHBondContact O-N 3.2Å; S210-Q214 VanDerWaalsContact CA-OE1 3.25Å
211L98.6Very high96.6Very high4 Ų441.4 Ų41.42%0.02126%0.257CS..  trans-92.1148.4173.6-68.3165000110.7R178 Y179 M204 Y205 L208 W213 Q214 L240R178-L211 HydrophobicContact CG-CD1 4.1Å; Y179-L211 HydrophobicContact CD1-CD1 4.15Å; Y179-L211 HydrophobicContact CE1-CD1 4.06Å; M204-L211 HydrophobicContact CB-CD2 4.2Å; Y205-L211 HydrophobicContact CD2-CG 4.38Å; L208-L211 HydrophobicContact CD1-CD2 4.46Å; L211-W213 HydrophobicContact CB-CD2 4.15Å; L211-W213 HydrophobicContact CB-CG 4.49Å; L211-W213 HydrophobicContact CB-CZ2 3.95Å; L211-W213 HydrophobicContact CD1-CZ2 3.69Å; L211-W213 HydrophobicContact CD2-CH2 4.1Å; L211-W213 HydrophobicContact CD2-CZ2 3.78Å; L211-W213 HydrophobicContact CG-CZ2 4.01Å; L211-W213 PolarHBondContact O-N 3.43Å; L211-Q214 HydrophobicContact CB-CG 4.32Å; L211-Q214 WeakPolarHBondContact O-CB 3.35Å; L211-Q214 WeakPolarHBondContact O-CG 3.21Å; L211-Q214 PolarHBondContact O-N 2.86Å; L211-L240 HydrophobicContact CD2-CD1 4.15Å
212P98.4Very high96.2Very high58 Ų5850.2 Ų50.238%0.37729%0.29SS..THydrogen-bonded Turntrans-69-6.5-172.226.9-34.3000114.7T235 L240P212-T235 HydrophobicContact CG-CG2 4.35Å; P212-L240 HydrophobicContact CG-CD1 3.91Å
213W98.5Very high96Very high5 Ų553.8 Ų53.82%0.01931%0.307CS..THydrogen-bonded Turntrans-102.913.5173.450.479.8000113.1R178 Y201 L211 L216 I228 K231 K232 L240R178-W213 PolarHBondContact O-NE1 3.09Å; Y201-W213 AromaticContact CD1-CH2 3.65Å; Y201-W213 HydrophobicContact CD1-CH2 3.65Å; Y201-W213 AromaticContact CD1-CZ2 3.75Å; Y201-W213 HydrophobicContact CD1-CZ2 3.75Å; Y201-W213 AromaticContact CE1-CH2 3.79Å; Y201-W213 HydrophobicContact CE1-CH2 3.79Å; Y201-W213 HydrophobicContact CE1-CZ2 4.18Å; Y201-W213 HydrophobicContact CG-CH2 4.39Å; Y201-W213 HydrophobicContact CG-CZ2 4.03Å; L211-W213 HydrophobicContact CB-CD2 4.15Å; L211-W213 HydrophobicContact CB-CG 4.49Å; L211-W213 HydrophobicContact CB-CZ2 3.95Å; L211-W213 HydrophobicContact CD1-CZ2 3.69Å; L211-W213 HydrophobicContact CD2-CH2 4.1Å; L211-W213 HydrophobicContact CD2-CZ2 3.78Å; L211-W213 HydrophobicContact CG-CZ2 4.01Å; L211-W213 PolarHBondContact O-N 3.43Å; W213-L216 HydrophobicContact CB-CD1 4.24Å; W213-I228 HydrophobicContact CB-CG2 4.24Å; W213-I228 HydrophobicContact CG-CG2 4.16Å; W213-K231 HydrophobicContact CB-CB 3.97Å; W213-K231 HydrophobicContact CB-CG 3.85Å; W213-K232 HydrophobicContact CD2-CD 4.38Å; W213-K232 HydrophobicContact CD2-CG 3.58Å; W213-K232 HydrophobicContact CE3-CB 4.49Å; W213-K232 HydrophobicContact CE3-CG 3.59Å; W213-K232 HydrophobicContact CG-CG 4.11Å; W213-K232 HydrophobicContact CH2-CG 4.14Å; W213-K232 HydrophobicContact CZ2-CD 4.42Å; W213-K232 VanDerWaalsContact CZ2-CE 3.5Å; W213-K232 HydrophobicContact CZ2-CG 4.11Å; W213-K232 HydrophobicContact CZ3-CG 3.89Å; W213-L240 HydrophobicContact CH2-CD1 4.05Å; W213-L240 HydrophobicContact CH2-CD2 3.86Å; W213-L240 HydrophobicContact CZ3-CD1 4.09Å; W213-L240 HydrophobicContact CZ3-CD2 4.32Å
214Q96.9Very high95.7Very high54 Ų5457.4 Ų57.425%0.25232%0.323SS..SBendtrans-81.9155.4170-70.4-175.9-116.300111.7R178 S210 L211 L216R178-Q214 HydrophobicContact CG-CG 4.14Å; S210-Q214 VanDerWaalsContact CA-OE1 3.25Å; L211-Q214 HydrophobicContact CB-CG 4.32Å; L211-Q214 WeakPolarHBondContact O-CB 3.35Å; L211-Q214 WeakPolarHBondContact O-CG 3.21Å; L211-Q214 PolarHBondContact O-N 2.86Å; Q214-L216 PolarHBondContact O-N 3.39Å; Q214-L216 VanDerWaalsContact O-N 3.17Å
215G93.7Very high95.4Very high77 Ų7759.9 Ų59.979%0.79433%0.332SS*.SBendtrans72.63.5174.400000115.8K217G215-K217 PolarHBondContact O-N 3.45Å
216L93.7Very high95.2Very high51 Ų5163.6 Ų63.627%0.26735%0.35SS..  trans-61.7120.8177.4-58.6179.1000110.5W213 Q214 R227 I228 K231W213-L216 HydrophobicContact CB-CD1 4.24Å; Q214-L216 PolarHBondContact O-N 3.39Å; Q214-L216 VanDerWaalsContact O-N 3.17Å; L216-R227 HydrophobicContact CD1-CB 4.1Å; L216-I228 HydrophobicContact CD1-CG1 4.19Å; L216-K231 HydrophobicContact CD1-CB 4.13Å
217K93.3Very high95.1Very high181 Ų18169.1 Ų69.179%0.78737%0.371SS*.  trans-71.5146.8174.2-62.6-174.8179.7-179.10109.3G215 R227G215-K217 PolarHBondContact O-N 3.45Å; K217-R227 VanDerWaalsContact O-CD 3.26Å; K217-R227 WeakPolarHBondContact O-CD 3.36Å; K217-R227 PolarHBondContact O-NH1 2.83Å
218A93.3Very high95.1Very high36 Ų3669.1 Ų69.130%0.29837%0.37SS..  trans-162154172.300000108.8Q223 K224A218-Q223 HydrophobicContact CB-CB 3.92Å; A218-K224 HydrophobicContact CB-CB 3.78Å; A218-K224 HydrophobicContact CB-CG 4.39Å
219A94.2Very high95Very high93 Ų9366.7 Ų66.777%0.76936%0.358SS*.SBendtrans-77.5-34.2179.400000111.8
220T94Very high95Very high70 Ų7071.5 Ų71.543%0.42938%0.377SS..SBendtrans-123.3159.6179.173.30000111.9R222 Q223 K224T220-R222 VanDerWaalsContact C-N 3.27Å; T220-R222 PolarHBondContact O-N 2.99Å; T220-Q223 PolarHBondContact O-N 3.05Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.35Å; T220-Q223 PolarHBondContact OG1-N 3.01Å; T220-K224 PolarHBondContact O-N 3.28Å
221K88.1Confident95Very high83 Ų8372.4 Ų72.436%0.36137%0.373SS..Hα-helixtrans-59.4-39.1175.2-170.4179.7178.6-163.80112.2K224 Y225 L376 T377K221-K224 WeakPolarHBondContact O-CB 3.36Å; K221-K224 PolarHBondContact O-N 3.3Å; K221-Y225 HydrophobicContact CD-CE2 4.44Å; K221-Y225 WeakPolarHBondContact CE-OH 3.42Å; K221-Y225 HydrophobicContact CG-CE1 4.26Å; K221-Y225 HydrophobicContact CG-CE2 4.18Å; K221-Y225 PolarHBondContact NZ-OH 3.13Å; K221-Y225 VanDerWaalsContact NZ-OH 3.15Å; K221-Y225 PolarHBondContact O-N 3.49Å; K221-L376 PolarHBondContact NZ-O 3.02Å; K221-T377 VanDerWaalsContact NZ-CG2 3.34Å
222R90.1Very high95Very high184 Ų18472.3 Ų72.369%0.69437%0.372SS*.Hα-helixtrans-61.6-51176.1178.1177.9172.3151.50.9111.3T220 K224 Y225 E226T220-R222 VanDerWaalsContact C-N 3.27Å; T220-R222 PolarHBondContact O-N 2.99Å; R222-K224 PolarHBondContact O-N 2.99Å; R222-Y225 WeakPolarHBondContact O-CB 3.35Å; R222-Y225 PolarHBondContact O-N 3.27Å; R222-E226 WeakPolarHBondContact CG-OE1 3.24Å; R222-E226 IonicContact CZ-OE1 3.73Å; R222-E226 IonicContact NE-OE1 2.89Å; R222-E226 PolarHBondContact NE-OE1 3.47Å; R222-E226 IonicContact NH2-OE1 3.24Å; R222-E226 PolarHBondContact O-N 3.46Å
223Q93.8Very high95Very high75 Ų7573.8 Ų73.835%0.3538%0.375SS..Hα-helixtrans-60.2-35.3176-73.6173.5-3.700112.1A218 T220 Y225 E226 R227A218-Q223 HydrophobicContact CB-CB 3.92Å; T220-Q223 PolarHBondContact O-N 3.05Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.35Å; T220-Q223 PolarHBondContact OG1-N 3.01Å; Q223-Y225 VanDerWaalsContact C-N 3.32Å; Q223-Y225 PolarHBondContact O-N 3.38Å; Q223-E226 PolarHBondContact O-N 2.79Å; Q223-R227 WeakPolarHBondContact O-CB 3.36Å; Q223-R227 VanDerWaalsContact O-CG 3.32Å; Q223-R227 WeakPolarHBondContact O-CG 3.25Å; Q223-R227 PolarHBondContact O-N 3.24Å
224K93.4Very high94.9Very high77 Ų7777.5 Ų77.534%0.33540%0.402SS..Hα-helixtrans-62.1-41.5174.7-165175-175.9176.10111.4A218 T220 K221 R222 I228A218-K224 HydrophobicContact CB-CB 3.78Å; A218-K224 HydrophobicContact CB-CG 4.39Å; T220-K224 PolarHBondContact O-N 3.28Å; K221-K224 WeakPolarHBondContact O-CB 3.36Å; K221-K224 PolarHBondContact O-N 3.3Å; R222-K224 PolarHBondContact O-N 2.99Å; K224-I228 HydrophobicContact CG-CD1 4.3Å; K224-I228 VanDerWaalsContact O-CG1 3.26Å; K224-I228 WeakPolarHBondContact O-CG1 3.47Å; K224-I228 PolarHBondContact O-N 3.41Å
225Y92.4Very high95Very high51 Ų5175.4 Ų75.420%0.239%0.393CS..Hα-helixtrans-68.7-42.6178-67.2-10000111.9L173 A177 K221 R222 Q223 R227 I228 S229L173-Y225 HydrophobicContact CD1-CD2 4.05Å; L173-Y225 HydrophobicContact CD1-CG 4.22Å; L173-Y225 HydrophobicContact CD2-CD2 4.2Å; L173-Y225 HydrophobicContact CD2-CE2 3.86Å; L173-Y225 HydrophobicContact CG-CD2 4.49Å; A177-Y225 HydrophobicContact CB-CD1 3.48Å; A177-Y225 VanDerWaalsContact CB-CD1 3.48Å; A177-Y225 HydrophobicContact CB-CE1 3.36Å; A177-Y225 HydrophobicContact CB-CG 4.23Å; K221-Y225 HydrophobicContact CD-CE2 4.44Å; K221-Y225 WeakPolarHBondContact CE-OH 3.42Å; K221-Y225 HydrophobicContact CG-CE1 4.26Å; K221-Y225 HydrophobicContact CG-CE2 4.18Å; K221-Y225 PolarHBondContact NZ-OH 3.13Å; K221-Y225 VanDerWaalsContact NZ-OH 3.15Å; K221-Y225 PolarHBondContact O-N 3.49Å; R222-Y225 WeakPolarHBondContact O-CB 3.35Å; R222-Y225 PolarHBondContact O-N 3.27Å; Q223-Y225 VanDerWaalsContact C-N 3.32Å; Q223-Y225 PolarHBondContact O-N 3.38Å; Y225-R227 PolarHBondContact O-N 3.32Å; Y225-I228 PolarHBondContact O-N 2.83Å; Y225-S229 WeakPolarHBondContact O-CB 3.44Å; Y225-S229 PolarHBondContact O-N 3.39Å
226E94.1Very high95.3Very high79 Ų7974.8 Ų74.837%0.36938%0.375SS..Hα-helixtrans-57.3-48.2173.3-70.4163.8179.300110.9R222 Q223 I228 S229 E230R222-E226 WeakPolarHBondContact CG-OE1 3.24Å; R222-E226 IonicContact CZ-OE1 3.73Å; R222-E226 IonicContact NE-OE1 2.89Å; R222-E226 PolarHBondContact NE-OE1 3.47Å; R222-E226 IonicContact NH2-OE1 3.24Å; R222-E226 PolarHBondContact O-N 3.46Å; Q223-E226 PolarHBondContact O-N 2.79Å; E226-I228 PolarHBondContact O-N 2.72Å; E226-S229 VanDerWaalsContact O-CB 3.28Å; E226-S229 WeakPolarHBondContact O-CB 3.43Å; E226-S229 PolarHBondContact O-N 3.5Å; E226-S229 VanDerWaalsContact O-N 3.13Å; E226-E230 WeakPolarHBondContact O-CG 3.29Å; E226-E230 PolarHBondContact O-N 3.45Å
227R97.4Very high95.5Very high117 Ų11772.5 Ų72.544%0.44236%0.363SS..Hα-helixtrans-62.4-38.6176.7-71.9-179.9-174.7-153.8-6.8113.7L216 K217 Q223 Y225 K231L216-R227 HydrophobicContact CD1-CB 4.1Å; K217-R227 VanDerWaalsContact O-CD 3.26Å; K217-R227 WeakPolarHBondContact O-CD 3.36Å; K217-R227 PolarHBondContact O-NH1 2.83Å; Q223-R227 WeakPolarHBondContact O-CB 3.36Å; Q223-R227 VanDerWaalsContact O-CG 3.32Å; Q223-R227 WeakPolarHBondContact O-CG 3.25Å; Q223-R227 PolarHBondContact O-N 3.24Å; Y225-R227 PolarHBondContact O-N 3.32Å; R227-K231 WeakPolarHBondContact O-CB 3.36Å; R227-K231 PolarHBondContact O-N 2.88Å
228I97.9Very high95.7Very high12 Ų1269.2 Ų69.26%0.06235%0.35CS..Hα-helixtrans-64.6-44174.6-70.7166.1000110A177 W213 L216 K224 Y225 E226 K231 K232A177-I228 HydrophobicContact CB-CD1 4.17Å; W213-I228 HydrophobicContact CB-CG2 4.24Å; W213-I228 HydrophobicContact CG-CG2 4.16Å; L216-I228 HydrophobicContact CD1-CG1 4.19Å; K224-I228 HydrophobicContact CG-CD1 4.3Å; K224-I228 VanDerWaalsContact O-CG1 3.26Å; K224-I228 WeakPolarHBondContact O-CG1 3.47Å; K224-I228 PolarHBondContact O-N 3.41Å; Y225-I228 PolarHBondContact O-N 2.83Å; E226-I228 PolarHBondContact O-N 2.72Å; I228-K231 PolarHBondContact O-N 3.15Å; I228-K232 HydrophobicContact CG2-CD 4.15Å; I228-K232 HydrophobicContact CG2-CG 4.49Å; I228-K232 WeakPolarHBondContact O-CB 3.39Å; I228-K232 WeakPolarHBondContact O-CG 3.46Å; I228-K232 PolarHBondContact O-N 3.4Å
229S97.2Very high96Very high12 Ų1271.8 Ų71.88%0.08436%0.362CS..Hα-helixtrans-58.4-54177.4-174.50000111.3H185 Y225 E226 K231 K232 M233H185-S229 VanDerWaalsContact CB-OG 3.27Å; H185-S229 WeakPolarHBondContact CB-OG 3.47Å; Y225-S229 WeakPolarHBondContact O-CB 3.44Å; Y225-S229 PolarHBondContact O-N 3.39Å; E226-S229 VanDerWaalsContact O-CB 3.28Å; E226-S229 WeakPolarHBondContact O-CB 3.43Å; E226-S229 PolarHBondContact O-N 3.5Å; E226-S229 VanDerWaalsContact O-N 3.13Å; S229-K231 VanDerWaalsContact C-N 3.3Å; S229-K231 PolarHBondContact O-N 3.41Å; S229-K232 WeakPolarHBondContact O-CB 3.48Å; S229-K232 PolarHBondContact O-N 2.81Å; S229-K232 VanDerWaalsContact O-N 3.1Å; S229-M233 WeakPolarHBondContact O-CG 3.31Å; S229-M233 PolarHBondContact O-N 2.87Å; S229-M233 VanDerWaalsContact OG-CE 3.23Å; S229-M233 WeakPolarHBondContact OG-CE 3.3Å
230E97.8Very high96.2Very high117 Ų11767.8 Ų67.855%0.54733%0.328SS..Hα-helixtrans-54.9-45.4177-72.1166.6-172.300111.4E226 K232 M233 S234E226-E230 WeakPolarHBondContact O-CG 3.29Å; E226-E230 PolarHBondContact O-N 3.45Å; E230-K232 PolarHBondContact O-N 2.97Å; E230-M233 PolarHBondContact O-N 3.2Å; E230-S234 VanDerWaalsContact O-CB 3.31Å; E230-S234 WeakPolarHBondContact O-CB 3.49Å; E230-S234 PolarHBondContact O-N 2.8Å; E230-S234 PolarHBondContact O-OG 3.1Å
231K98.4Very high96.4Very high85 Ų8564.8 Ų64.837%0.3731%0.309SS..Hα-helixtrans-66.7-36.4179.3-171.159.1176.41760112.5W213 L216 R227 I228 S229 S234 T235W213-K231 HydrophobicContact CB-CB 3.97Å; W213-K231 HydrophobicContact CB-CG 3.85Å; L216-K231 HydrophobicContact CD1-CB 4.13Å; R227-K231 WeakPolarHBondContact O-CB 3.36Å; R227-K231 PolarHBondContact O-N 2.88Å; I228-K231 PolarHBondContact O-N 3.15Å; S229-K231 VanDerWaalsContact C-N 3.3Å; S229-K231 PolarHBondContact O-N 3.41Å; K231-S234 WeakPolarHBondContact CA-OG 3.21Å; K231-S234 PolarHBondContact O-OG 3.18Å; K231-T235 VanDerWaalsContact O-CB 3.31Å; K231-T235 WeakPolarHBondContact O-CB 3.46Å; K231-T235 PolarHBondContact O-N 2.86Å; K231-T235 PolarHBondContact O-OG1 2.99Å
232K98.5Very high96.9Very high1 Ų168.9 Ų68.90%0.00433%0.327CS..Hα-helixtrans-65.6-45.5174.6-80.5179.4170.4-176.40112.2A177 R178 A180 I182 W213 I228 S229 E230 T235A177-K232 PolarHBondContact O-NZ 3.43Å; R178-K232 WeakPolarHBondContact O-CE 3.31Å; R178-K232 PolarHBondContact O-NZ 3.46Å; A180-K232 PolarHBondContact O-NZ 2.83Å; I182-K232 HydrophobicContact CG1-CB 4.29Å; W213-K232 HydrophobicContact CD2-CD 4.38Å; W213-K232 HydrophobicContact CD2-CG 3.58Å; W213-K232 HydrophobicContact CE3-CB 4.49Å; W213-K232 HydrophobicContact CE3-CG 3.59Å; W213-K232 HydrophobicContact CG-CG 4.11Å; W213-K232 HydrophobicContact CH2-CG 4.14Å; W213-K232 HydrophobicContact CZ2-CD 4.42Å; W213-K232 VanDerWaalsContact CZ2-CE 3.5Å; W213-K232 HydrophobicContact CZ2-CG 4.11Å; W213-K232 HydrophobicContact CZ3-CG 3.89Å; I228-K232 HydrophobicContact CG2-CD 4.15Å; I228-K232 HydrophobicContact CG2-CG 4.49Å; I228-K232 WeakPolarHBondContact O-CB 3.39Å; I228-K232 WeakPolarHBondContact O-CG 3.46Å; I228-K232 PolarHBondContact O-N 3.4Å; S229-K232 WeakPolarHBondContact O-CB 3.48Å; S229-K232 PolarHBondContact O-N 2.81Å; S229-K232 VanDerWaalsContact O-N 3.1Å; E230-K232 PolarHBondContact O-N 2.97Å; K232-T235 PolarHBondContact O-N 2.84Å
233M97.6Very high97.3Very high90 Ų9064 Ų6444%0.44333%0.333SS..Hα-helixtrans-68.4-36.9-179.9-69.7-176.1-71.100112.2I182 L186 S229 E230 T235I182-M233 HydrophobicContact CD1-CG 4.2Å; I182-M233 HydrophobicContact CG1-CG 4.45Å; I182-M233 HydrophobicContact CG2-CG 3.87Å; I182-M233 HydrophobicContact CG2-SD 4.24Å; L186-M233 HydrophobicContact CD2-SD 4Å; S229-M233 WeakPolarHBondContact O-CG 3.31Å; S229-M233 PolarHBondContact O-N 2.87Å; S229-M233 VanDerWaalsContact OG-CE 3.23Å; S229-M233 WeakPolarHBondContact OG-CE 3.3Å; E230-M233 PolarHBondContact O-N 3.2Å; M233-T235 VanDerWaalsContact C-N 3.34Å
234S98.2Very high97.5Very high83 Ų8364.2 Ų64.258%0.5833%0.332SS*.THydrogen-bonded Turntrans-83.7-1.6178.759.50000114.8E230 K231 P236E230-S234 VanDerWaalsContact O-CB 3.31Å; E230-S234 WeakPolarHBondContact O-CB 3.49Å; E230-S234 PolarHBondContact O-N 2.8Å; E230-S234 PolarHBondContact O-OG 3.1Å; K231-S234 WeakPolarHBondContact CA-OG 3.21Å; K231-S234 PolarHBondContact O-OG 3.18Å; S234-P236 WeakPolarHBondContact O-CD 3.33Å
235T98.7Very high97.8Very high10 Ų1062 Ų626%0.06133%0.325CS..SBendtrans-104.5104175.1-560000109.1P212 K231 K232 M233 V239 L240P212-T235 HydrophobicContact CG-CG2 4.35Å; K231-T235 VanDerWaalsContact O-CB 3.31Å; K231-T235 WeakPolarHBondContact O-CB 3.46Å; K231-T235 PolarHBondContact O-N 2.86Å; K231-T235 PolarHBondContact O-OG1 2.99Å; K232-T235 PolarHBondContact O-N 2.84Å; M233-T235 VanDerWaalsContact C-N 3.34Å; T235-V239 HydrophobicContact CG2-CB 4.43Å; T235-V239 HydrophobicContact CG2-CG1 4.27Å; T235-L240 HydrophobicContact CG2-CB 4.18Å
236P98.6Very high98.1Very high64 Ų6463.3 Ų63.342%0.41634%0.342SS..  trans-56.3150.4174-23.933.3000111.7S234 E238 V239 L240S234-P236 WeakPolarHBondContact O-CD 3.33Å; P236-E238 PolarHBondContact O-N 3.02Å; P236-V239 HydrophobicContact CB-CB 4.33Å; P236-V239 HydrophobicContact CB-CG2 3.99Å; P236-V239 HydrophobicContact CG-CG2 3.98Å; P236-V239 WeakPolarHBondContact O-CB 3.44Å; P236-V239 PolarHBondContact O-N 3.42Å; P236-V239 VanDerWaalsContact O-N 3.09Å; P236-L240 PolarHBondContact O-N 3.3Å
237I98.8Very high98.3Very high3 Ų360.3 Ų60.32%0.01533%0.328CS..Hα-helixtrans-62.4-37.6-178.3-77.7168.1000110.7V239 L240 C241 A249 L252 N253 R256I237-V239 VanDerWaalsContact C-N 3.25Å; I237-V239 PolarHBondContact O-N 3.37Å; I237-L240 PolarHBondContact O-N 3.49Å; I237-C241 WeakPolarHBondContact O-CB 3.22Å; I237-C241 PolarHBondContact O-N 3.2Å; I237-C241 PolarHBondContact O-SG 2.8Å; I237-A249 HydrophobicContact CG2-CB 3.7Å; I237-L252 HydrophobicContact CD1-CB 3.8Å; I237-L252 HydrophobicContact CG1-CB 4.17Å; I237-L252 HydrophobicContact CG2-CB 4Å; I237-L252 HydrophobicContact CG2-CD1 4.33Å; I237-N253 WeakPolarHBondContact CD1-OD1 3.48Å; I237-R256 HydrophobicContact CD1-CG 4.35Å
238E98.3Very high98.4Very high112 Ų11254.9 Ų54.952%0.52331%0.307SS..Hα-helixtrans-65.5-32.4178.9-60.167.2-144.300111P236 K242 N253P236-E238 PolarHBondContact O-N 3.02Å; E238-K242 PolarHBondContact O-N 3.41Å; E238-K242 VanDerWaalsContact O-N 3.12Å; E238-N253 PolarHBondContact OE1-ND2 3.16Å
239V98.6Very high98.4Very high89 Ų8955 Ų5554%0.53931%0.31SS..Hα-helixtrans-74.2-44.2174175.90000110.5T235 P236 I237 C241 K242T235-V239 HydrophobicContact CG2-CB 4.43Å; T235-V239 HydrophobicContact CG2-CG1 4.27Å; P236-V239 HydrophobicContact CB-CB 4.33Å; P236-V239 HydrophobicContact CB-CG2 3.99Å; P236-V239 HydrophobicContact CG-CG2 3.98Å; P236-V239 WeakPolarHBondContact O-CB 3.44Å; P236-V239 PolarHBondContact O-N 3.42Å; P236-V239 VanDerWaalsContact O-N 3.09Å; I237-V239 VanDerWaalsContact C-N 3.25Å; I237-V239 PolarHBondContact O-N 3.37Å; V239-C241 VanDerWaalsContact C-N 3.3Å; V239-C241 PolarHBondContact O-N 3.47Å; V239-K242 WeakPolarHBondContact O-CB 3.34Å; V239-K242 PolarHBondContact O-N 3.16Å
240L98.8Very high98.5Very high10 Ų1056.8 Ų56.85%0.05232%0.32CS..Hα-helixtrans-59.9-41.2176.1176.864.5000111.7Y201 M204 L208 L211 P212 W213 T235 P236 I237 L252Y201-L240 HydrophobicContact CD1-CD2 4.13Å; Y201-L240 HydrophobicContact CE1-CD2 4.17Å; M204-L240 WeakPolarHBondContact CE-O 3.42Å; M204-L240 HydrophobicContact CG-CD2 4.46Å; M204-L240 HydrophobicContact CG-CG 4.48Å; L208-L240 HydrophobicContact CD1-CD1 3.96Å; L211-L240 HydrophobicContact CD2-CD1 4.15Å; P212-L240 HydrophobicContact CG-CD1 3.91Å; W213-L240 HydrophobicContact CH2-CD1 4.05Å; W213-L240 HydrophobicContact CH2-CD2 3.86Å; W213-L240 HydrophobicContact CZ3-CD1 4.09Å; W213-L240 HydrophobicContact CZ3-CD2 4.32Å; T235-L240 HydrophobicContact CG2-CB 4.18Å; P236-L240 PolarHBondContact O-N 3.3Å; I237-L240 PolarHBondContact O-N 3.49Å; L240-L252 HydrophobicContact CD2-CD1 3.9Å
241C98.7Very high98.6Very high7 Ų751.3 Ų51.35%0.04730%0.295CS..THydrogen-bonded Turntrans-93.56.7-175.5-54.60000113.5M204 I237 V239 G243 Y244 A249M204-C241 HydrophobicContact CE-CB 4.34Å; M204-C241 HydrophobicContact SD-CB 4.47Å; I237-C241 WeakPolarHBondContact O-CB 3.22Å; I237-C241 PolarHBondContact O-N 3.2Å; I237-C241 PolarHBondContact O-SG 2.8Å; V239-C241 VanDerWaalsContact C-N 3.3Å; V239-C241 PolarHBondContact O-N 3.47Å; C241-G243 PolarHBondContact O-N 3.43Å; C241-Y244 PolarHBondContact O-N 2.64Å; C241-A249 HydrophobicContact CB-CB 3.98Å
242K98.4Very high98.6Very high169 Ų16947.3 Ų47.374%0.73528%0.277SS*.THydrogen-bonded Turntrans-56.9127.6-176.8-173.4178.1-179.8179.50110.9E238 V239 Y244E238-K242 PolarHBondContact O-N 3.41Å; E238-K242 VanDerWaalsContact O-N 3.12Å; V239-K242 WeakPolarHBondContact O-CB 3.34Å; V239-K242 PolarHBondContact O-N 3.16Å; K242-Y244 VanDerWaalsContact C-N 3.33Å
243G97.9Very high98.6Very high80 Ų8050.4 Ų50.483%0.82529%0.294SS*.THydrogen-bonded Turntrans83.81.8179.900000115.1C241C241-G243 PolarHBondContact O-N 3.43Å
244Y98.7Very high98.7Very high81 Ų8148.2 Ų48.232%0.31828%0.282SS..SBendtrans-110.2162.5172.1-67.6-86.4000110.9M204 N207 L208 C241 K242M204-Y244 HydrophobicContact CE-CD2 3.97Å; M204-Y244 HydrophobicContact CE-CG 4.3Å; N207-Y244 HydrophobicContact CB-CD1 3.71Å; N207-Y244 HydrophobicContact CB-CE1 3.44Å; N207-Y244 VanDerWaalsContact CB-CE1 3.44Å; N207-Y244 HydrophobicContact CB-CG 4.36Å; N207-Y244 PolarHBondContact O-OH 3.17Å; L208-Y244 HydrophobicContact CD2-CD2 4.32Å; L208-Y244 HydrophobicContact CD2-CE2 3.43Å; L208-Y244 VanDerWaalsContact CD2-CE2 3.43Å; L208-Y244 HydrophobicContact CG-CE2 4.1Å; C241-Y244 PolarHBondContact O-N 2.64Å; K242-Y244 VanDerWaalsContact C-N 3.33Å
245P98.8Very high98.7Very high30 Ų3044.3 Ų44.320%0.19525%0.254CS..  trans-51.9140.7176.3-2835.5000112.9L102 E247 F248 L276L102-P245 HydrophobicContact CD1-CG 4.15Å; L102-P245 HydrophobicContact CD2-CG 3.88Å; P245-E247 WeakPolarHBondContact CB-OE2 3.18Å; P245-E247 PolarHBondContact O-N 2.92Å; P245-E247 VanDerWaalsContact O-N 3.08Å; P245-F248 HydrophobicContact CB-CD2 4.2Å; P245-F248 HydrophobicContact CB-CE2 4.25Å; P245-F248 HydrophobicContact CG-CD2 4.47Å; P245-F248 HydrophobicContact CG-CE2 4.15Å; P245-F248 WeakPolarHBondContact O-CD2 3.36Å; P245-F248 PolarHBondContact O-N 2.97Å; P245-L276 HydrophobicContact CB-CD1 3.99Å; P245-L276 HydrophobicContact CB-CD2 3.46Å; P245-L276 VanDerWaalsContact CB-CD2 3.46Å; P245-L276 HydrophobicContact CB-CG 4.39Å; P245-L276 HydrophobicContact CG-CD1 4.3Å; P245-L276 HydrophobicContact CG-CD2 3.84Å
246S98.7Very high98.7Very high78 Ų7847.6 Ų47.655%0.54527%0.266SS..Hα-helixtrans-61.3-23-17452.50000113.1F248 A249 T250S246-F248 PolarHBondContact O-N 2.81Å; S246-A249 WeakPolarHBondContact O-CB 3.44Å; S246-A249 PolarHBondContact O-N 2.97Å; S246-T250 PolarHBondContact O-N 2.59Å; S246-T250 PolarHBondContact O-OG1 2.84Å
247E98.9Very high98.7Very high16 Ų1648.6 Ų48.68%0.07527%0.274CS..Hα-helixtrans-52.4-36.1175.4-72.171.2-154.900113.1P245 T250 Y251 L272 F273 L276 R279P245-E247 WeakPolarHBondContact CB-OE2 3.18Å; P245-E247 PolarHBondContact O-N 2.92Å; P245-E247 VanDerWaalsContact O-N 3.08Å; E247-T250 PolarHBondContact O-N 2.81Å; E247-Y251 VanDerWaalsContact O-CB 3.28Å; E247-Y251 WeakPolarHBondContact O-CB 3.49Å; E247-Y251 PolarHBondContact O-N 2.7Å; E247-L272 HydrophobicContact CB-CD1 4.18Å; E247-L272 HydrophobicContact CB-CD2 4.06Å; E247-L272 HydrophobicContact CB-CG 3.73Å; E247-L272 HydrophobicContact CG-CD1 3.69Å; E247-L272 HydrophobicContact CG-CD2 4.46Å; E247-L272 HydrophobicContact CG-CG 3.63Å; E247-L272 WeakPolarHBondContact O-CD2 3.5Å; E247-F273 HydrophobicContact CB-CD1 4.13Å; E247-F273 HydrophobicContact CB-CE1 4.02Å; E247-L276 HydrophobicContact CB-CD2 4.14Å; E247-L276 HydrophobicContact CG-CB 4Å; E247-L276 HydrophobicContact CG-CD2 4.09Å; E247-R279 IonicContact OE1-CZ 3.81Å; E247-R279 IonicContact OE1-NH2 3.52Å; E247-R279 PolarHBondContact OE1-NH2 2.99Å; E247-R279 IonicContact OE2-NH2 2.97Å
248F98.9Very high98.7Very high4 Ų449.1 Ų49.12%0.01828%0.277CS..Hα-helixtrans-67.5-39.9177.9-67.2-79.3000112.1L102 V105 L106 L203 M204 N207 P245 S246 L252 F273L102-F248 HydrophobicContact CD1-CE2 3.73Å; L102-F248 HydrophobicContact CD1-CZ 3.84Å; V105-F248 HydrophobicContact CG1-CE1 3.85Å; V105-F248 HydrophobicContact CG1-CZ 3.91Å; L106-F248 HydrophobicContact CD2-CZ 4.13Å; L203-F248 HydrophobicContact CB-CD1 4.28Å; L203-F248 HydrophobicContact CB-CE1 4.1Å; M204-F248 HydrophobicContact SD-CB 3.6Å; M204-F248 VanDerWaalsContact SD-CB 3.6Å; M204-F248 HydrophobicContact SD-CD1 4.01Å; M204-F248 HydrophobicContact SD-CG 3.84Å; N207-F248 VanDerWaalsContact ND2-CE1 3.27Å; N207-F248 WeakPolarHBondContact ND2-CE1 3.28Å; N207-F248 WeakPolarHBondContact ND2-CE2 3.44Å; N207-F248 WeakPolarHBondContact ND2-CZ 3.43Å; P245-F248 HydrophobicContact CB-CD2 4.2Å; P245-F248 HydrophobicContact CB-CE2 4.25Å; P245-F248 HydrophobicContact CG-CD2 4.47Å; P245-F248 HydrophobicContact CG-CE2 4.15Å; P245-F248 WeakPolarHBondContact O-CD2 3.36Å; P245-F248 PolarHBondContact O-N 2.97Å; S246-F248 PolarHBondContact O-N 2.81Å; F248-L252 PolarHBondContact O-N 2.97Å; F248-L252 VanDerWaalsContact O-N 3.17Å; F248-F273 AromaticContact CD1-CE1 3.8Å; F248-F273 HydrophobicContact CD1-CE1 3.8Å; F248-F273 HydrophobicContact CD1-CZ 4.07Å; F248-F273 AromaticContact CE1-CE1 3.79Å; F248-F273 HydrophobicContact CE1-CE1 3.79Å; F248-F273 HydrophobicContact CE1-CZ 4.23Å; F248-F273 HydrophobicContact CG-CE1 4.24Å; F248-F273 HydrophobicContact CZ-CE1 4.21Å
249A98.9Very high98.7Very high14 Ų1452.3 Ų52.312%0.11628%0.284CS..Hα-helixtrans-67.9-45.1174.500000111I237 C241 S246 Y251 L252 N253I237-A249 HydrophobicContact CG2-CB 3.7Å; C241-A249 HydrophobicContact CB-CB 3.98Å; S246-A249 WeakPolarHBondContact O-CB 3.44Å; S246-A249 PolarHBondContact O-N 2.97Å; A249-Y251 VanDerWaalsContact C-N 3.32Å; A249-Y251 PolarHBondContact O-N 2.84Å; A249-L252 PolarHBondContact O-N 2.91Å; A249-N253 WeakPolarHBondContact O-CB 3.31Å; A249-N253 PolarHBondContact O-N 2.82Å; A249-N253 PolarHBondContact O-ND2 2.88Å
250T98.9Very high98.7Very high49 Ų4949 Ų4930%0.30126%0.263SS..Hα-helixtrans-58.5-42.4175.9-59.60000111.8S246 E247 F254 Y268 L272S246-T250 PolarHBondContact O-N 2.59Å; S246-T250 PolarHBondContact O-OG1 2.84Å; E247-T250 PolarHBondContact O-N 2.81Å; T250-F254 WeakPolarHBondContact O-CB 3.22Å; T250-F254 PolarHBondContact O-N 3.31Å; T250-Y268 VanDerWaalsContact CG2-OH 3.26Å; T250-Y268 WeakPolarHBondContact CG2-OH 3.44Å; T250-L272 HydrophobicContact CG2-CD1 4.07Å; T250-L272 HydrophobicContact CG2-CD2 4.02Å
251Y98.9Very high98.7Very high2 Ų253 Ų531%0.00828%0.284CS..Hα-helixtrans-59.4-50.1175.5177.7-78.5000111.6I113 L196 E247 A249 F254 C255 L269 F273I113-Y251 HydrophobicContact CD1-CE2 3.91Å; I113-Y251 HydrophobicContact CG1-CE2 4.24Å; L196-Y251 VanDerWaalsContact O-CE1 3.22Å; L196-Y251 WeakPolarHBondContact O-CE1 3.47Å; L196-Y251 PolarHBondContact O-OH 2.68Å; E247-Y251 VanDerWaalsContact O-CB 3.28Å; E247-Y251 WeakPolarHBondContact O-CB 3.49Å; E247-Y251 PolarHBondContact O-N 2.7Å; A249-Y251 VanDerWaalsContact C-N 3.32Å; A249-Y251 PolarHBondContact O-N 2.84Å; Y251-F254 WeakPolarHBondContact O-CB 3.31Å; Y251-F254 PolarHBondContact O-N 2.86Å; Y251-C255 VanDerWaalsContact CE1-SG 3.51Å; Y251-C255 PolarHBondContact O-N 2.93Å; Y251-C255 PolarHBondContact O-SG 3.37Å; Y251-L269 HydrophobicContact CD2-CB 4.12Å; Y251-L269 HydrophobicContact CD2-CD1 4.38Å; Y251-L269 HydrophobicContact CD2-CD2 3.64Å; Y251-L269 HydrophobicContact CD2-CG 4.26Å; Y251-L269 HydrophobicContact CE2-CB 3.99Å; Y251-L269 HydrophobicContact CE2-CD1 3.86Å; Y251-L269 HydrophobicContact CE2-CD2 4Å; Y251-L269 HydrophobicContact CE2-CG 4.17Å; Y251-L269 HydrophobicContact CG-CD2 4.29Å; Y251-F273 HydrophobicContact CD2-CD2 4.49Å; Y251-F273 AromaticContact CD2-CE2 3.43Å; Y251-F273 HydrophobicContact CD2-CE2 3.43Å; Y251-F273 VanDerWaalsContact CD2-CE2 3.43Å; Y251-F273 AromaticContact CD2-CZ 3.82Å; Y251-F273 HydrophobicContact CD2-CZ 3.82Å; Y251-F273 AromaticContact CE2-CE2 4Å; Y251-F273 HydrophobicContact CE2-CE2 4Å; Y251-F273 HydrophobicContact CG-CE2 4.05Å; Y251-F273 AromaticContact CG-CZ 3.95Å; Y251-F273 HydrophobicContact CG-CZ 3.95Å
252L98.9Very high98.7Very high1 Ų155.3 Ų55.31%0.00530%0.296CS..Hα-helixtrans-65.9-42.3-179.3-79.7168.5000112E197 Y201 M204 I237 L240 F248 A249 F254 C255 R256E197-L252 HydrophobicContact CG-CD2 4.42Å; Y201-L252 HydrophobicContact CD1-CD2 4.1Å; Y201-L252 HydrophobicContact CE1-CD2 3.96Å; M204-L252 HydrophobicContact CG-CD1 4.21Å; I237-L252 HydrophobicContact CD1-CB 3.8Å; I237-L252 HydrophobicContact CG1-CB 4.17Å; I237-L252 HydrophobicContact CG2-CB 4Å; I237-L252 HydrophobicContact CG2-CD1 4.33Å; L240-L252 HydrophobicContact CD2-CD1 3.9Å; F248-L252 PolarHBondContact O-N 2.97Å; F248-L252 VanDerWaalsContact O-N 3.17Å; A249-L252 PolarHBondContact O-N 2.91Å; L252-F254 VanDerWaalsContact C-N 3.35Å; L252-C255 PolarHBondContact O-N 2.84Å; L252-R256 WeakPolarHBondContact O-CG 3.1Å; L252-R256 PolarHBondContact O-N 2.92Å
253N98.8Very high98.7Very high66 Ų6654.8 Ų54.835%0.35329%0.294SS..Hα-helixtrans-62.4-42176-81.8-37000111.3I237 E238 A249 R256 S257I237-N253 WeakPolarHBondContact CD1-OD1 3.48Å; E238-N253 PolarHBondContact OE1-ND2 3.16Å; A249-N253 WeakPolarHBondContact O-CB 3.31Å; A249-N253 PolarHBondContact O-N 2.82Å; A249-N253 PolarHBondContact O-ND2 2.88Å; N253-R256 PolarHBondContact O-N 2.93Å; N253-S257 WeakPolarHBondContact O-CB 3.41Å; N253-S257 PolarHBondContact O-N 2.82Å
254F98.9Very high98.8Very high45 Ų4551.1 Ų51.120%0.19726%0.256CS..Hα-helixtrans-57.2-51.7172.3-179.5-86.2000110.9T250 Y251 L252 R256 S257 L258 D265 Y268 L269T250-F254 WeakPolarHBondContact O-CB 3.22Å; T250-F254 PolarHBondContact O-N 3.31Å; Y251-F254 WeakPolarHBondContact O-CB 3.31Å; Y251-F254 PolarHBondContact O-N 2.86Å; L252-F254 VanDerWaalsContact C-N 3.35Å; F254-R256 VanDerWaalsContact C-N 3.32Å; F254-R256 PolarHBondContact O-N 2.79Å; F254-S257 PolarHBondContact O-N 2.91Å; F254-S257 VanDerWaalsContact O-N 3.09Å; F254-S257 PolarHBondContact O-OG 2.96Å; F254-L258 HydrophobicContact CD1-CD1 4.29Å; F254-L258 HydrophobicContact CD1-CG 4.43Å; F254-L258 HydrophobicContact CE1-CD1 4Å; F254-L258 HydrophobicContact CE1-CD2 4.01Å; F254-L258 HydrophobicContact CE1-CG 4.17Å; F254-L258 HydrophobicContact CZ-CD2 4.2Å; F254-L258 PolarHBondContact O-N 2.86Å; F254-D265 HydrophobicContact CZ-CB 4.02Å; F254-Y268 HydrophobicContact CB-CE1 4.4Å; F254-Y268 AromaticContact CD2-CD1 3.77Å; F254-Y268 HydrophobicContact CD2-CD1 3.77Å; F254-Y268 AromaticContact CD2-CE1 3.55Å; F254-Y268 HydrophobicContact CD2-CE1 3.55Å; F254-Y268 AromaticContact CE2-CD1 3.74Å; F254-Y268 HydrophobicContact CE2-CD1 3.74Å; F254-Y268 AromaticContact CE2-CE1 3.99Å; F254-Y268 HydrophobicContact CE2-CE1 3.99Å; F254-Y268 HydrophobicContact CG-CD1 4.33Å; F254-Y268 HydrophobicContact CG-CE1 4.07Å; F254-Y268 HydrophobicContact CZ-CD1 4.27Å; F254-L269 HydrophobicContact CB-CD2 4.11Å; F254-L269 HydrophobicContact CD1-CD1 4.01Å; F254-L269 HydrophobicContact CD1-CD2 3.55Å; F254-L269 HydrophobicContact CD1-CG 4.03Å; F254-L269 HydrophobicContact CE1-CD1 3.99Å; F254-L269 HydrophobicContact CE1-CD2 4.09Å; F254-L269 HydrophobicContact CE1-CG 4.07Å; F254-L269 HydrophobicContact CG-CD2 3.86Å
255C98.9Very high98.8Very high0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-58.7-41.4-179.4-63.10000112.8E197 Y251 L252 S257 L258E197-C255 HydrophobicContact CB-CB 4.08Å; Y251-C255 VanDerWaalsContact CE1-SG 3.51Å; Y251-C255 PolarHBondContact O-N 2.93Å; Y251-C255 PolarHBondContact O-SG 3.37Å; L252-C255 PolarHBondContact O-N 2.84Å; C255-S257 VanDerWaalsContact C-N 3.31Å; C255-S257 PolarHBondContact O-N 3.39Å; C255-L258 PolarHBondContact O-N 3.17Å
256R98.3Very high98.8Very high79 Ų7950.2 Ų50.230%0.29825%0.254SS..Hα-helixtrans-69.8-25.6178-72.6-166.5-175.3170.71.9113.6I182 Y201 I237 L252 N253 F254I182-R256 VanDerWaalsContact CD1-CZ 3.44Å; I182-R256 VanDerWaalsContact CD1-NH2 3.32Å; Y201-R256 PolarHBondContact OH-NH2 3.09Å; I237-R256 HydrophobicContact CD1-CG 4.35Å; L252-R256 WeakPolarHBondContact O-CG 3.1Å; L252-R256 PolarHBondContact O-N 2.92Å; N253-R256 PolarHBondContact O-N 2.93Å; F254-R256 VanDerWaalsContact C-N 3.32Å; F254-R256 PolarHBondContact O-N 2.79Å
257S98.6Very high98.8Very high85 Ų8549.8 Ų49.859%0.59425%0.251SS*.Hα-helixtrans-77.7-19.2178.4740000114N253 F254 C255 R259N253-S257 WeakPolarHBondContact O-CB 3.41Å; N253-S257 PolarHBondContact O-N 2.82Å; F254-S257 PolarHBondContact O-N 2.91Å; F254-S257 VanDerWaalsContact O-N 3.09Å; F254-S257 PolarHBondContact O-OG 2.96Å; C255-S257 VanDerWaalsContact C-N 3.31Å; C255-S257 PolarHBondContact O-N 3.39Å; S257-R259 PolarHBondContact O-N 3.18Å
258L98.8Very high98.8Very high14 Ų1453.6 Ų53.67%0.07327%0.265CS..  trans-64.6132.9-179-69.7168.2000111.4R193 F254 C255 D262 P264R193-L258 HydrophobicContact CB-CB 3.79Å; R193-L258 HydrophobicContact CB-CD1 3.81Å; R193-L258 HydrophobicContact CB-CG 4.48Å; R193-L258 VanDerWaalsContact CD-O 3.24Å; R193-L258 WeakPolarHBondContact CD-O 3.29Å; R193-L258 PolarHBondContact NH1-O 3.44Å; F254-L258 HydrophobicContact CD1-CD1 4.29Å; F254-L258 HydrophobicContact CD1-CG 4.43Å; F254-L258 HydrophobicContact CE1-CD1 4Å; F254-L258 HydrophobicContact CE1-CD2 4.01Å; F254-L258 HydrophobicContact CE1-CG 4.17Å; F254-L258 HydrophobicContact CZ-CD2 4.2Å; F254-L258 PolarHBondContact O-N 2.86Å; C255-L258 PolarHBondContact O-N 3.17Å; L258-D262 HydrophobicContact CB-CB 4.42Å; L258-D262 HydrophobicContact CD2-CB 3.88Å; L258-P264 HydrophobicContact CD1-CB 4.01Å; L258-P264 HydrophobicContact CD1-CG 3.97Å
259R98.8Very high98.8Very high180 Ų18053.4 Ų53.468%0.67926%0.264SS*.  trans-66.1163.8167.6-57.2175.9177-176.30.1110.1S257 D261 D262S257-R259 PolarHBondContact O-N 3.18Å; R259-D261 VanDerWaalsContact C-N 3.25Å; R259-D261 PolarHBondContact O-N 3.4Å; R259-D262 HydrophobicContact CB-CB 4.38Å; R259-D262 VanDerWaalsContact CB-OD2 3.31Å; R259-D262 WeakPolarHBondContact CB-OD2 3.26Å; R259-D262 WeakPolarHBondContact CG-OD2 3.46Å; R259-D262 PolarHBondContact N-OD2 3.37Å; R259-D262 PolarHBondContact O-N 3.48Å
260F98.9Very high98.8Very high20 Ų2054 Ų549%0.08826%0.264CS..THydrogen-bonded Turntrans-57.7-38.7-175.4173-110.6000112.9H164 I165 Y167 E189 S191H164-F260 AromaticContact CE1-CD1 3.95Å; H164-F260 AromaticContact CE1-CE1 3.53Å; H164-F260 AromaticContact CE1-CZ 3.74Å; H164-F260 AromaticContact ND1-CE1 3.6Å; I165-F260 HydrophobicContact CD1-CZ 4.33Å; I165-F260 HydrophobicContact CG1-CE1 4.48Å; I165-F260 HydrophobicContact CG1-CZ 4.08Å; I165-F260 WeakPolarHBondContact O-CE1 3.15Å; Y167-F260 VanDerWaalsContact CA-CE1 3.5Å; Y167-F260 HydrophobicContact CD2-CB 4.08Å; Y167-F260 HydrophobicContact CD2-CD1 4.09Å; Y167-F260 HydrophobicContact CD2-CD2 4.09Å; Y167-F260 AromaticContact CD2-CG 3.81Å; Y167-F260 HydrophobicContact CD2-CG 3.81Å; E189-F260 HydrophobicContact CB-CE2 4.35Å; E189-F260 HydrophobicContact CB-CZ 4.42Å; E189-F260 HydrophobicContact CG-CZ 4.36Å; E189-F260 WeakPolarHBondContact O-CE2 3.38Å; S191-F260 WeakPolarHBondContact CB-O 3.19Å; S191-F260 PolarHBondContact OG-O 2.93Å
261D98.7Very high98.8Very high92 Ų9255.4 Ų55.449%0.49227%0.267SS..THydrogen-bonded Turntrans-106.58-17662.8-28000113.8H164 R192 R259H164-D261 HydrophobicContact CB-CB 4.14Å; R192-D261 PolarHBondContact NH2-O 2.94Å; R259-D261 VanDerWaalsContact C-N 3.25Å; R259-D261 PolarHBondContact O-N 3.4Å
262D98.8Very high98.8Very high57 Ų5756.4 Ų56.431%0.30527%0.272SS..  trans-62.8143.2175.8-80.8-17.7000111.1R192 L258 R259 P264R192-D262 PolarHBondContact NE-O 3.1Å; R192-D262 VanDerWaalsContact NE-O 3.13Å; R192-D262 PolarHBondContact NH2-O 3.06Å; L258-D262 HydrophobicContact CB-CB 4.42Å; L258-D262 HydrophobicContact CD2-CB 3.88Å; R259-D262 HydrophobicContact CB-CB 4.38Å; R259-D262 VanDerWaalsContact CB-OD2 3.31Å; R259-D262 WeakPolarHBondContact CB-OD2 3.26Å; R259-D262 WeakPolarHBondContact CG-OD2 3.46Å; R259-D262 PolarHBondContact N-OD2 3.37Å; R259-D262 PolarHBondContact O-N 3.48Å; D262-P264 WeakPolarHBondContact O-CD 3.4Å
263K98.8Very high98.8Very high158 Ų15856.5 Ų56.569%0.68727%0.272SS*.  trans-84.7113.7164.9-177.5-173.1173.9-169.20107.4
264P98.8Very high98.8Very high3 Ų357.8 Ų57.82%0.01927%0.272CS..  trans-59.9144.8177.1-19.529.9000112.1R192 L196 L258 D262 Y266R192-P264 HydrophobicContact CB-CG 3.92Å; L196-P264 HydrophobicContact CD1-CB 3.38Å; L196-P264 HydrophobicContact CD1-CG 3.5Å; L196-P264 VanDerWaalsContact CD1-CG 3.5Å; L258-P264 HydrophobicContact CD1-CB 4.01Å; L258-P264 HydrophobicContact CD1-CG 3.97Å; D262-P264 WeakPolarHBondContact O-CD 3.4Å; P264-Y266 HydrophobicContact CB-CD1 4.27Å; P264-Y266 HydrophobicContact CB-CE1 3.89Å; P264-Y266 HydrophobicContact CB-CE2 4.25Å; P264-Y266 WeakPolarHBondContact CD-OH 3.43Å; P264-Y266 HydrophobicContact CG-CE1 4Å; P264-Y266 HydrophobicContact CG-CE2 4.47Å; P264-Y266 WeakPolarHBondContact O-CD2 3.24Å; P264-Y266 VanDerWaalsContact O-CE2 3.28Å; P264-Y266 WeakPolarHBondContact O-CE2 3.47Å; P264-Y266 PolarHBondContact O-N 3.49Å; P264-Y266 VanDerWaalsContact O-N 3.15Å
265D98.8Very high98.8Very high84 Ų8459.3 Ų59.345%0.44928%0.282SS..  trans-82.583.5166.8-169.7-18000109.8F254 S267 Y268 L269F254-D265 HydrophobicContact CZ-CB 4.02Å; D265-S267 PolarHBondContact O-N 3.14Å; D265-S267 WeakPolarHBondContact OD1-CB 3.47Å; D265-S267 PolarHBondContact OD1-N 3.36Å; D265-S267 VanDerWaalsContact OD1-N 3.12Å; D265-Y268 VanDerWaalsContact CG-CB 3.46Å; D265-Y268 PolarHBondContact O-N 3.23Å; D265-Y268 PolarHBondContact OD1-N 2.72Å; D265-L269 PolarHBondContact O-N 2.74Å
266Y98.9Very high98.7Very high8 Ų859.5 Ų59.53%0.03128%0.283CS..Hα-helixtrans-61.6-28.6178.4-51.2-82.2000112.5I113 E117 H120 L196 P264 R270I113-Y266 HydrophobicContact CG2-CD1 4.38Å; E117-Y266 HydrophobicContact CB-CD1 3.77Å; E117-Y266 HydrophobicContact CB-CD2 4.09Å; E117-Y266 HydrophobicContact CB-CE1 4.13Å; E117-Y266 HydrophobicContact CB-CE2 4.43Å; E117-Y266 HydrophobicContact CB-CG 3.75Å; E117-Y266 HydrophobicContact CG-CD1 4.21Å; E117-Y266 HydrophobicContact CG-CD2 3.57Å; E117-Y266 HydrophobicContact CG-CE2 3.96Å; E117-Y266 HydrophobicContact CG-CG 3.72Å; E117-Y266 WeakPolarHBondContact OE1-CD2 3.47Å; H120-Y266 WeakPolarHBondContact CB-OH 3.42Å; H120-Y266 AromaticContact ND1-CE1 3.48Å; H120-Y266 WeakPolarHBondContact ND1-CE1 3.3Å; H120-Y266 AromaticContact ND1-CZ 3.5Å; H120-Y266 PolarHBondContact ND1-OH 3.02Å; L196-Y266 HydrophobicContact CD1-CD1 4.19Å; L196-Y266 HydrophobicContact CD1-CE1 3.86Å; L196-Y266 HydrophobicContact CD2-CD1 4.24Å; L196-Y266 HydrophobicContact CD2-CE1 4.24Å; L196-Y266 HydrophobicContact CG-CE1 4.39Å; P264-Y266 HydrophobicContact CB-CD1 4.27Å; P264-Y266 HydrophobicContact CB-CE1 3.89Å; P264-Y266 HydrophobicContact CB-CE2 4.25Å; P264-Y266 WeakPolarHBondContact CD-OH 3.43Å; P264-Y266 HydrophobicContact CG-CE1 4Å; P264-Y266 HydrophobicContact CG-CE2 4.47Å; P264-Y266 WeakPolarHBondContact O-CD2 3.24Å; P264-Y266 VanDerWaalsContact O-CE2 3.28Å; P264-Y266 WeakPolarHBondContact O-CE2 3.47Å; P264-Y266 PolarHBondContact O-N 3.49Å; P264-Y266 VanDerWaalsContact O-N 3.15Å; Y266-R270 PolarHBondContact O-N 3.12Å
267S98.8Very high98.8Very high69 Ų6956 Ų5648%0.48327%0.271SS..Hα-helixtrans-68.3-47.8179.3-168.10000110.5D265 L269 R270 Q271D265-S267 PolarHBondContact O-N 3.14Å; D265-S267 WeakPolarHBondContact OD1-CB 3.47Å; D265-S267 PolarHBondContact OD1-N 3.36Å; D265-S267 VanDerWaalsContact OD1-N 3.12Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.21Å; S267-R270 PolarHBondContact O-N 3.47Å; S267-Q271 WeakPolarHBondContact O-CB 3.08Å; S267-Q271 PolarHBondContact O-N 3.03Å
268Y98.8Very high98.7Very high95 Ų9558 Ų5837%0.37327%0.27SS..Hα-helixtrans-54.4-48.7173.3168.3-106.5000111.8T250 F254 D265 R270 Q271 L272T250-Y268 VanDerWaalsContact CG2-OH 3.26Å; T250-Y268 WeakPolarHBondContact CG2-OH 3.44Å; F254-Y268 HydrophobicContact CB-CE1 4.4Å; F254-Y268 AromaticContact CD2-CD1 3.77Å; F254-Y268 HydrophobicContact CD2-CD1 3.77Å; F254-Y268 AromaticContact CD2-CE1 3.55Å; F254-Y268 HydrophobicContact CD2-CE1 3.55Å; F254-Y268 AromaticContact CE2-CD1 3.74Å; F254-Y268 HydrophobicContact CE2-CD1 3.74Å; F254-Y268 AromaticContact CE2-CE1 3.99Å; F254-Y268 HydrophobicContact CE2-CE1 3.99Å; F254-Y268 HydrophobicContact CG-CD1 4.33Å; F254-Y268 HydrophobicContact CG-CE1 4.07Å; F254-Y268 HydrophobicContact CZ-CD1 4.27Å; D265-Y268 VanDerWaalsContact CG-CB 3.46Å; D265-Y268 PolarHBondContact O-N 3.23Å; D265-Y268 PolarHBondContact OD1-N 2.72Å; Y268-R270 PolarHBondContact O-N 2.71Å; Y268-Q271 PolarHBondContact O-N 3.47Å; Y268-Q271 VanDerWaalsContact O-N 3.16Å; Y268-L272 PolarHBondContact O-N 3.47Å
269L98.9Very high98.7Very high0 Ų065.4 Ų65.40%030%0.297CS..Hα-helixtrans-62.2-39.5-179.5-66.1178.7000113I113 L196 Y251 F254 D265 S267 L272 F273I113-L269 HydrophobicContact CD1-CB 4.17Å; L196-L269 HydrophobicContact CD1-CD1 3.94Å; L196-L269 HydrophobicContact CD2-CD1 4.38Å; Y251-L269 HydrophobicContact CD2-CB 4.12Å; Y251-L269 HydrophobicContact CD2-CD1 4.38Å; Y251-L269 HydrophobicContact CD2-CD2 3.64Å; Y251-L269 HydrophobicContact CD2-CG 4.26Å; Y251-L269 HydrophobicContact CE2-CB 3.99Å; Y251-L269 HydrophobicContact CE2-CD1 3.86Å; Y251-L269 HydrophobicContact CE2-CD2 4Å; Y251-L269 HydrophobicContact CE2-CG 4.17Å; Y251-L269 HydrophobicContact CG-CD2 4.29Å; F254-L269 HydrophobicContact CB-CD2 4.11Å; F254-L269 HydrophobicContact CD1-CD1 4.01Å; F254-L269 HydrophobicContact CD1-CD2 3.55Å; F254-L269 HydrophobicContact CD1-CG 4.03Å; F254-L269 HydrophobicContact CE1-CD1 3.99Å; F254-L269 HydrophobicContact CE1-CD2 4.09Å; F254-L269 HydrophobicContact CE1-CG 4.07Å; F254-L269 HydrophobicContact CG-CD2 3.86Å; D265-L269 PolarHBondContact O-N 2.74Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.21Å; L269-L272 WeakPolarHBondContact O-CB 3.27Å; L269-F273 WeakPolarHBondContact O-CD2 3.33Å
270R98.8Very high98.7Very high28 Ų2861.6 Ų61.611%0.10629%0.287CS..Hα-helixtrans-68-43.3172.4-76.7-172-68.3-92.5-2.7112D110 I113 S114 E117 Y266 S267 Y268 L272 F273 R274D110-R270 WeakPolarHBondContact OD1-CD 3.44Å; I113-R270 HydrophobicContact CB-CG 4Å; I113-R270 HydrophobicContact CD1-CG 4.06Å; I113-R270 HydrophobicContact CG2-CG 3.84Å; S114-R270 WeakPolarHBondContact OG-CD 3.5Å; S114-R270 PolarHBondContact OG-NH1 3.23Å; E117-R270 IonicContact OE1-NH2 3.84Å; E117-R270 IonicContact OE2-CZ 3.94Å; E117-R270 IonicContact OE2-NH1 2.59Å; E117-R270 PolarHBondContact OE2-NH1 2.87Å; E117-R270 IonicContact OE2-NH2 2.72Å; E117-R270 PolarHBondContact OE2-NH2 3.05Å; Y266-R270 PolarHBondContact O-N 3.12Å; S267-R270 PolarHBondContact O-N 3.47Å; Y268-R270 PolarHBondContact O-N 2.71Å; R270-L272 PolarHBondContact O-N 2.95Å; R270-F273 PolarHBondContact O-N 3.08Å; R270-R274 WeakPolarHBondContact O-CG 3.23Å; R270-R274 PolarHBondContact O-N 3.31Å
271Q98.7Very high98.7Very high78 Ų7863.7 Ų63.736%0.36432%0.315SS..Hα-helixtrans-62.8-35.3-177.1-165.261.73800111.6S267 Y268 F273 R274 N275S267-Q271 WeakPolarHBondContact O-CB 3.08Å; S267-Q271 PolarHBondContact O-N 3.03Å; Y268-Q271 PolarHBondContact O-N 3.47Å; Y268-Q271 VanDerWaalsContact O-N 3.16Å; Q271-F273 PolarHBondContact O-N 2.94Å; Q271-R274 PolarHBondContact O-N 2.61Å; Q271-N275 PolarHBondContact NE2-OD1 2.73Å; Q271-N275 VanDerWaalsContact O-CB 3.27Å; Q271-N275 WeakPolarHBondContact O-CB 2.82Å; Q271-N275 PolarHBondContact O-N 3.32Å; Q271-N275 PolarHBondContact O-ND2 3.25Å
272L98.7Very high98.6Very high22 Ų2262.3 Ų62.312%0.11530%0.304CS..Hα-helixtrans-51.9-53172.6-171.869.1000111.5E247 T250 Y268 L269 R270 L276E247-L272 HydrophobicContact CB-CD1 4.18Å; E247-L272 HydrophobicContact CB-CD2 4.06Å; E247-L272 HydrophobicContact CB-CG 3.73Å; E247-L272 HydrophobicContact CG-CD1 3.69Å; E247-L272 HydrophobicContact CG-CD2 4.46Å; E247-L272 HydrophobicContact CG-CG 3.63Å; E247-L272 WeakPolarHBondContact O-CD2 3.5Å; T250-L272 HydrophobicContact CG2-CD1 4.07Å; T250-L272 HydrophobicContact CG2-CD2 4.02Å; Y268-L272 PolarHBondContact O-N 3.47Å; L269-L272 WeakPolarHBondContact O-CB 3.27Å; R270-L272 PolarHBondContact O-N 2.95Å; L272-L276 PolarHBondContact O-N 3.49Å
273F98.8Very high98.6Very high3 Ų363.2 Ų63.21%0.01332%0.315CS..Hα-helixtrans-74.9-34.4179.9-66.3-51.6000113.5L106 A109 I113 L203 E247 F248 Y251 L269 R270 Q271 L276 F277L106-F273 HydrophobicContact CD2-CB 3.85Å; L106-F273 HydrophobicContact CD2-CD1 3.46Å; L106-F273 VanDerWaalsContact CD2-CD1 3.46Å; L106-F273 HydrophobicContact CD2-CE1 4.34Å; L106-F273 HydrophobicContact CD2-CG 3.95Å; A109-F273 HydrophobicContact CB-CD2 3.79Å; A109-F273 HydrophobicContact CB-CE2 4.11Å; A109-F273 HydrophobicContact CB-CG 4.27Å; I113-F273 HydrophobicContact CD1-CD2 4.02Å; I113-F273 HydrophobicContact CD1-CE2 4.18Å; L203-F273 HydrophobicContact CD1-CE2 3.85Å; L203-F273 HydrophobicContact CD1-CZ 3.89Å; E247-F273 HydrophobicContact CB-CD1 4.13Å; E247-F273 HydrophobicContact CB-CE1 4.02Å; F248-F273 AromaticContact CD1-CE1 3.8Å; F248-F273 HydrophobicContact CD1-CE1 3.8Å; F248-F273 HydrophobicContact CD1-CZ 4.07Å; F248-F273 AromaticContact CE1-CE1 3.79Å; F248-F273 HydrophobicContact CE1-CE1 3.79Å; F248-F273 HydrophobicContact CE1-CZ 4.23Å; F248-F273 HydrophobicContact CG-CE1 4.24Å; F248-F273 HydrophobicContact CZ-CE1 4.21Å; Y251-F273 HydrophobicContact CD2-CD2 4.49Å; Y251-F273 AromaticContact CD2-CE2 3.43Å; Y251-F273 HydrophobicContact CD2-CE2 3.43Å; Y251-F273 VanDerWaalsContact CD2-CE2 3.43Å; Y251-F273 AromaticContact CD2-CZ 3.82Å; Y251-F273 HydrophobicContact CD2-CZ 3.82Å; Y251-F273 AromaticContact CE2-CE2 4Å; Y251-F273 HydrophobicContact CE2-CE2 4Å; Y251-F273 HydrophobicContact CG-CE2 4.05Å; Y251-F273 AromaticContact CG-CZ 3.95Å; Y251-F273 HydrophobicContact CG-CZ 3.95Å; L269-F273 WeakPolarHBondContact O-CD2 3.33Å; R270-F273 PolarHBondContact O-N 3.08Å; Q271-F273 PolarHBondContact O-N 2.94Å; F273-L276 PolarHBondContact O-N 3.09Å; F273-F277 WeakPolarHBondContact O-CB 3.28Å; F273-F277 PolarHBondContact O-N 2.86Å
274R98.7Very high98.3Very high94 Ų9460.3 Ų60.336%0.35530%0.301SS..Hα-helixtrans-64-42.7174.7-71.4174.1-178.4-174.7-5.4112.1D110 R270 Q271 F277 H278D110-R274 IonicContact OD1-CZ 2.81Å; D110-R274 IonicContact OD1-NE 3.67Å; D110-R274 PolarHBondContact OD1-NE 3.07Å; D110-R274 IonicContact OD1-NH2 2.76Å; D110-R274 PolarHBondContact OD1-NH2 3.27Å; D110-R274 IonicContact OD2-NE 3.06Å; D110-R274 IonicContact OD2-NH2 3.73Å; D110-R274 PolarHBondContact OD2-NH2 3.35Å; R270-R274 WeakPolarHBondContact O-CG 3.23Å; R270-R274 PolarHBondContact O-N 3.31Å; Q271-R274 PolarHBondContact O-N 2.61Å; R274-F277 WeakPolarHBondContact O-CB 3.26Å; R274-F277 PolarHBondContact O-N 2.98Å; R274-H278 PolarHBondContact O-N 3.15Å
275N98.6Very high98.2Very high76 Ų7663.7 Ų63.741%0.40632%0.318SS..Hα-helixtrans-61.6-45.3175.6-74-12.3000111.1Q271 F277 H278 R279Q271-N275 PolarHBondContact NE2-OD1 2.73Å; Q271-N275 VanDerWaalsContact O-CB 3.27Å; Q271-N275 WeakPolarHBondContact O-CB 2.82Å; Q271-N275 PolarHBondContact O-N 3.32Å; Q271-N275 PolarHBondContact O-ND2 3.25Å; N275-F277 VanDerWaalsContact C-N 3.34Å; N275-H278 PolarHBondContact O-N 2.99Å; N275-R279 WeakPolarHBondContact O-CG 3.38Å; N275-R279 PolarHBondContact O-N 3.26Å
276L98.7Very high98Very high4 Ų464.1 Ų64.12%0.02132%0.315CS..Hα-helixtrans-60.4-44.7173.717563.2000111.6L106 P245 E247 L272 F273 H278 R279 Q280L106-L276 HydrophobicContact CD1-CD2 4.01Å; L106-L276 HydrophobicContact CD1-CG 3.99Å; L106-L276 HydrophobicContact CD2-CD2 3.88Å; P245-L276 HydrophobicContact CB-CD1 3.99Å; P245-L276 HydrophobicContact CB-CD2 3.46Å; P245-L276 VanDerWaalsContact CB-CD2 3.46Å; P245-L276 HydrophobicContact CB-CG 4.39Å; P245-L276 HydrophobicContact CG-CD1 4.3Å; P245-L276 HydrophobicContact CG-CD2 3.84Å; E247-L276 HydrophobicContact CB-CD2 4.14Å; E247-L276 HydrophobicContact CG-CB 4Å; E247-L276 HydrophobicContact CG-CD2 4.09Å; L272-L276 PolarHBondContact O-N 3.49Å; F273-L276 PolarHBondContact O-N 3.09Å; L276-H278 VanDerWaalsContact C-N 3.33Å; L276-H278 PolarHBondContact O-N 2.92Å; L276-R279 PolarHBondContact O-N 3.41Å; L276-Q280 HydrophobicContact CD1-CG 3.99Å; L276-Q280 HydrophobicContact CG-CG 4.43Å; L276-Q280 VanDerWaalsContact O-CG 3.3Å; L276-Q280 WeakPolarHBondContact O-CG 3.43Å; L276-Q280 PolarHBondContact O-N 2.91Å
277F98.6Very high97.9Very high7 Ų766 Ų663%0.03133%0.326CS..Hα-helixtrans-56.2-46.6178.4-170.7-87.8000111.9K103 L106 L107 F273 R274 N275 Q280 F282 S283 Y284K103-F277 HydrophobicContact CG-CE2 3.77Å; K103-F277 HydrophobicContact CG-CZ 4.21Å; L106-F277 HydrophobicContact CB-CD2 3.79Å; L106-F277 HydrophobicContact CD1-CB 4.1Å; L106-F277 HydrophobicContact CD1-CD2 4.09Å; L107-F277 HydrophobicContact CD2-CE2 3.84Å; L107-F277 HydrophobicContact CD2-CZ 3.89Å; L107-F277 HydrophobicContact CG-CE2 3.81Å; L107-F277 HydrophobicContact CG-CZ 4.26Å; F273-F277 WeakPolarHBondContact O-CB 3.28Å; F273-F277 PolarHBondContact O-N 2.86Å; R274-F277 WeakPolarHBondContact O-CB 3.26Å; R274-F277 PolarHBondContact O-N 2.98Å; N275-F277 VanDerWaalsContact C-N 3.34Å; F277-Q280 PolarHBondContact O-N 2.79Å; F277-F282 HydrophobicContact CD1-CB 3.88Å; F277-F282 HydrophobicContact CD2-CB 3.98Å; F277-F282 AromaticContact CD2-CD2 3.81Å; F277-F282 HydrophobicContact CD2-CD2 3.81Å; F277-F282 HydrophobicContact CD2-CG 4.39Å; F277-F282 HydrophobicContact CE1-CB 3.53Å; F277-F282 WeakPolarHBondContact CE1-O 3.48Å; F277-F282 HydrophobicContact CE2-CB 3.64Å; F277-F282 HydrophobicContact CE2-CD2 4.02Å; F277-F282 HydrophobicContact CE2-CG 4.24Å; F277-F282 HydrophobicContact CG-CB 4.1Å; F277-F282 HydrophobicContact CG-CD2 4.27Å; F277-F282 HydrophobicContact CZ-CB 3.41Å; F277-F282 VanDerWaalsContact CZ-CB 3.41Å; F277-F282 HydrophobicContact CZ-CG 4.45Å; F277-F282 PolarHBondContact O-N 3.49Å; F277-S283 WeakPolarHBondContact CZ-O 3.26Å; F277-Y284 HydrophobicContact CD1-CD2 4.47Å; F277-Y284 AromaticContact CE1-CD2 3.98Å; F277-Y284 HydrophobicContact CE1-CD2 3.98Å; F277-Y284 HydrophobicContact CE1-CG 4.48Å; F277-Y284 HydrophobicContact CZ-CD2 4.15Å
278H98.2Very high97.9Very high127 Ų12762.7 Ų62.759%0.58830%0.304SS*.Hα-helixtrans-66.9-42.4176.9-66.6173.7000112.6R274 N275 L276 Q280 G281R274-H278 PolarHBondContact O-N 3.15Å; N275-H278 PolarHBondContact O-N 2.99Å; L276-H278 VanDerWaalsContact C-N 3.33Å; L276-H278 PolarHBondContact O-N 2.92Å; H278-Q280 PolarHBondContact O-N 2.72Å; H278-G281 PolarHBondContact O-N 2.91Å
279R98.5Very high97.8Very high169 Ų16959.7 Ų59.764%0.63829%0.294SS*.Hα-helixtrans-64-28.7178-73.1-172.7-52.5-163.23.7113.3E247 N275 L276 G281E247-R279 IonicContact OE1-CZ 3.81Å; E247-R279 IonicContact OE1-NH2 3.52Å; E247-R279 PolarHBondContact OE1-NH2 2.99Å; E247-R279 IonicContact OE2-NH2 2.97Å; N275-R279 WeakPolarHBondContact O-CG 3.38Å; N275-R279 PolarHBondContact O-N 3.26Å; L276-R279 PolarHBondContact O-N 3.41Å; R279-G281 PolarHBondContact O-N 2.73Å
280Q98.3Very high97.7Very high99 Ų9960 Ų6046%0.46330%0.295SS..THydrogen-bonded Turntrans-77.9-3173.4-66.6-67.2-30.100113L102 L276 F277 H278 F282L102-Q280 HydrophobicContact CD2-CG 4.16Å; L276-Q280 HydrophobicContact CD1-CG 3.99Å; L276-Q280 HydrophobicContact CG-CG 4.43Å; L276-Q280 VanDerWaalsContact O-CG 3.3Å; L276-Q280 WeakPolarHBondContact O-CG 3.43Å; L276-Q280 PolarHBondContact O-N 2.91Å; F277-Q280 PolarHBondContact O-N 2.79Å; H278-Q280 PolarHBondContact O-N 2.72Å; Q280-F282 VanDerWaalsContact C-N 3.25Å; Q280-F282 HydrophobicContact CB-CD1 4.35Å; Q280-F282 HydrophobicContact CB-CD2 3.65Å; Q280-F282 HydrophobicContact CB-CE1 4.17Å; Q280-F282 HydrophobicContact CB-CE2 3.44Å; Q280-F282 VanDerWaalsContact CB-CE2 3.44Å; Q280-F282 HydrophobicContact CB-CG 4.11Å; Q280-F282 HydrophobicContact CB-CZ 3.71Å; Q280-F282 HydrophobicContact CG-CD2 4.47Å; Q280-F282 HydrophobicContact CG-CE2 3.91Å; Q280-F282 HydrophobicContact CG-CZ 4.27Å; Q280-F282 PolarHBondContact O-N 2.7Å
281G98.1Very high97.5Very high65 Ų6560.7 Ų60.767%0.6730%0.301SS*.THydrogen-bonded Turntrans69.520.3-179.500000113.9H278 R279H278-G281 PolarHBondContact O-N 2.91Å; R279-G281 PolarHBondContact O-N 2.73Å
282F98.4Very high96.9Very high62 Ų6262.7 Ų62.727%0.27231%0.312SS..  trans-73.5142.4179.4-62.1-38000111.6L102 K103 L106 F277 Q280L102-F282 HydrophobicContact CB-CE2 4.34Å; L102-F282 HydrophobicContact CB-CZ 4.4Å; L102-F282 HydrophobicContact CD2-CE2 4.23Å; L102-F282 HydrophobicContact CD2-CZ 4.5Å; L102-F282 HydrophobicContact CG-CE2 4.14Å; K103-F282 HydrophobicContact CB-CD1 4.13Å; K103-F282 HydrophobicContact CB-CD2 3.91Å; K103-F282 HydrophobicContact CB-CE1 4.19Å; K103-F282 HydrophobicContact CB-CE2 3.97Å; K103-F282 HydrophobicContact CB-CG 4.01Å; K103-F282 HydrophobicContact CB-CZ 4.12Å; K103-F282 HydrophobicContact CD-CB 4.4Å; K103-F282 HydrophobicContact CD-CD1 4.4Å; K103-F282 HydrophobicContact CD-CG 4.39Å; K103-F282 HydrophobicContact CG-CB 4.16Å; K103-F282 HydrophobicContact CG-CD1 4.33Å; K103-F282 HydrophobicContact CG-CD2 4.2Å; K103-F282 HydrophobicContact CG-CG 3.99Å; L106-F282 HydrophobicContact CD1-CD2 4.42Å; L106-F282 HydrophobicContact CD1-CE2 4.29Å; F277-F282 HydrophobicContact CD1-CB 3.88Å; F277-F282 HydrophobicContact CD2-CB 3.98Å; F277-F282 AromaticContact CD2-CD2 3.81Å; F277-F282 HydrophobicContact CD2-CD2 3.81Å; F277-F282 HydrophobicContact CD2-CG 4.39Å; F277-F282 HydrophobicContact CE1-CB 3.53Å; F277-F282 WeakPolarHBondContact CE1-O 3.48Å; F277-F282 HydrophobicContact CE2-CB 3.64Å; F277-F282 HydrophobicContact CE2-CD2 4.02Å; F277-F282 HydrophobicContact CE2-CG 4.24Å; F277-F282 HydrophobicContact CG-CB 4.1Å; F277-F282 HydrophobicContact CG-CD2 4.27Å; F277-F282 HydrophobicContact CZ-CB 3.41Å; F277-F282 VanDerWaalsContact CZ-CB 3.41Å; F277-F282 HydrophobicContact CZ-CG 4.45Å; F277-F282 PolarHBondContact O-N 3.49Å; Q280-F282 VanDerWaalsContact C-N 3.25Å; Q280-F282 HydrophobicContact CB-CD1 4.35Å; Q280-F282 HydrophobicContact CB-CD2 3.65Å; Q280-F282 HydrophobicContact CB-CE1 4.17Å; Q280-F282 HydrophobicContact CB-CE2 3.44Å; Q280-F282 VanDerWaalsContact CB-CE2 3.44Å; Q280-F282 HydrophobicContact CB-CG 4.11Å; Q280-F282 HydrophobicContact CB-CZ 3.71Å; Q280-F282 HydrophobicContact CG-CD2 4.47Å; Q280-F282 HydrophobicContact CG-CE2 3.91Å; Q280-F282 HydrophobicContact CG-CZ 4.27Å; Q280-F282 PolarHBondContact O-N 2.7Å
283S96.9Very high96.1Very high77 Ų7765.4 Ų65.454%0.53833%0.326SS..  trans-85.4132.7171.9-64.30000110.8K103 F277 D285K103-S283 WeakPolarHBondContact CE-O 3.37Å; K103-S283 PolarHBondContact NZ-O 3.4Å; F277-S283 WeakPolarHBondContact CZ-O 3.26Å; S283-D285 PolarHBondContact O-N 2.55Å
284Y94.2Very high95Very high97 Ų9768.3 Ų68.338%0.3834%0.339SS..  trans-84.267.7177-159.9-90.1000110.3L107 D110 F277 Y286L107-Y284 HydrophobicContact CD2-CD2 3.56Å; L107-Y284 HydrophobicContact CD2-CE2 3.51Å; L107-Y284 HydrophobicContact CD2-CG 4.27Å; D110-Y284 PolarHBondContact OD2-OH 3.36Å; F277-Y284 HydrophobicContact CD1-CD2 4.47Å; F277-Y284 AromaticContact CE1-CD2 3.98Å; F277-Y284 HydrophobicContact CE1-CD2 3.98Å; F277-Y284 HydrophobicContact CE1-CG 4.48Å; F277-Y284 HydrophobicContact CZ-CD2 4.15Å; Y284-Y286 HydrophobicContact CD1-CE1 4.39Å; Y284-Y286 HydrophobicContact CD1-CE2 4.27Å; Y284-Y286 HydrophobicContact CE1-CD1 4.35Å; Y284-Y286 AromaticContact CE1-CE1 3.55Å; Y284-Y286 HydrophobicContact CE1-CE1 3.55Å; Y284-Y286 HydrophobicContact CE1-CE2 4.03Å; Y284-Y286 AromaticContact CE1-CZ 3.38Å; Y284-Y286 WeakPolarHBondContact CE1-OH 3.17Å; Y284-Y286 AromaticContact CZ-CE1 3.97Å
285D95.5Very high93.4Very high73 Ų7370.5 Ų70.539%0.3935%0.351SS..SBendtrans-103.41-172.555.513.2000113.3K103 S283 V287K103-D285 WeakPolarHBondContact CE-OD1 3.43Å; K103-D285 IonicContact NZ-OD1 3.17Å; K103-D285 PolarHBondContact NZ-OD1 3.09Å; K103-D285 IonicContact NZ-OD2 4Å; K103-D285 PolarHBondContact NZ-OD2 3.23Å; S283-D285 PolarHBondContact O-N 2.55Å; D285-V287 HydrophobicContact CB-CG2 4.03Å; D285-V287 VanDerWaalsContact CG-CG2 3.5Å; D285-V287 PolarHBondContact O-N 2.82Å; D285-V287 WeakPolarHBondContact OD1-CB 3.43Å; D285-V287 PolarHBondContact OD1-N 3.48Å
286Y95.1Very high91.7Very high94 Ų9469 Ų6937%0.36935%0.353SS..  trans55.925.4-171.7-56.4-78.7000114.6N143 Y284 F288N143-Y286 HydrophobicContact CB-CD1 4.14Å; N143-Y286 HydrophobicContact CB-CG 3.99Å; Y284-Y286 HydrophobicContact CD1-CE1 4.39Å; Y284-Y286 HydrophobicContact CD1-CE2 4.27Å; Y284-Y286 HydrophobicContact CE1-CD1 4.35Å; Y284-Y286 AromaticContact CE1-CE1 3.55Å; Y284-Y286 HydrophobicContact CE1-CE1 3.55Å; Y284-Y286 HydrophobicContact CE1-CE2 4.03Å; Y284-Y286 AromaticContact CE1-CZ 3.38Å; Y284-Y286 WeakPolarHBondContact CE1-OH 3.17Å; Y284-Y286 AromaticContact CZ-CE1 3.97Å; Y286-F288 VanDerWaalsContact O-CD2 3.26Å; Y286-F288 WeakPolarHBondContact O-CD2 3.29Å; Y286-F288 WeakPolarHBondContact O-CE2 3.36Å; Y286-F288 PolarHBondContact O-N 3.27Å
287V96.5Very high90Very high46 Ų4671.2 Ų71.228%0.27937%0.372SS..  trans-89.7106.2173.8-178.70000108.8D285 N291 M292D285-V287 HydrophobicContact CB-CG2 4.03Å; D285-V287 VanDerWaalsContact CG-CG2 3.5Å; D285-V287 PolarHBondContact O-N 2.82Å; D285-V287 WeakPolarHBondContact OD1-CB 3.43Å; D285-V287 PolarHBondContact OD1-N 3.48Å; V287-N291 HydrophobicContact CG1-CB 4.16Å; V287-M292 HydrophobicContact CG1-CG 4.08Å; V287-M292 HydrophobicContact CG1-SD 3.68Å
288F97.9Very high88.3Confident1 Ų174.8 Ų74.80%0.00439%0.392CS..  trans-92.1167.2174.5-54.2-88.8000111.1T104 L107 L108 M136 N143 Y286 W290 N291T104-F288 HydrophobicContact CG2-CB 4.48Å; T104-F288 HydrophobicContact CG2-CD1 4.16Å; L107-F288 HydrophobicContact CB-CD1 4.18Å; L107-F288 HydrophobicContact CB-CE1 3.56Å; L107-F288 HydrophobicContact CB-CZ 4.3Å; L107-F288 HydrophobicContact CD1-CD1 4.14Å; L107-F288 HydrophobicContact CD1-CE1 4.09Å; L107-F288 HydrophobicContact CG-CE1 4.47Å; L108-F288 HydrophobicContact CD2-CE1 4Å; L108-F288 HydrophobicContact CG-CD1 4.44Å; L108-F288 HydrophobicContact CG-CE1 4.12Å; M136-F288 HydrophobicContact CE-CE2 3.96Å; M136-F288 HydrophobicContact CE-CZ 4.2Å; N143-F288 HydrophobicContact CB-CE2 4.46Å; Y286-F288 VanDerWaalsContact O-CD2 3.26Å; Y286-F288 WeakPolarHBondContact O-CD2 3.29Å; Y286-F288 WeakPolarHBondContact O-CE2 3.36Å; Y286-F288 PolarHBondContact O-N 3.27Å; F288-W290 VanDerWaalsContact C-N 3.28Å; F288-W290 HydrophobicContact CB-CD2 3.69Å; F288-W290 HydrophobicContact CB-CE3 3.89Å; F288-W290 HydrophobicContact CB-CG 4.42Å; F288-W290 HydrophobicContact CB-CH2 3.57Å; F288-W290 HydrophobicContact CB-CZ2 3.34Å; F288-W290 HydrophobicContact CB-CZ3 3.83Å; F288-W290 AromaticContact CD1-CH2 3.51Å; F288-W290 HydrophobicContact CD1-CH2 3.51Å; F288-W290 AromaticContact CD1-CZ2 3.68Å; F288-W290 HydrophobicContact CD1-CZ2 3.68Å; F288-W290 HydrophobicContact CD1-CZ3 4.3Å; F288-W290 AromaticContact CD2-CE2 3.93Å; F288-W290 HydrophobicContact CD2-CH2 4.18Å; F288-W290 AromaticContact CD2-CZ2 3.46Å; F288-W290 HydrophobicContact CD2-CZ2 3.46Å; F288-W290 VanDerWaalsContact CD2-CZ2 3.46Å; F288-W290 HydrophobicContact CE1-CH2 4.17Å; F288-W290 HydrophobicContact CE1-CZ2 4.29Å; F288-W290 HydrophobicContact CE2-CZ2 4.12Å; F288-W290 HydrophobicContact CG-CD2 4.49Å; F288-W290 AromaticContact CG-CE2 3.74Å; F288-W290 AromaticContact CG-CH2 3.49Å; F288-W290 HydrophobicContact CG-CH2 3.49Å; F288-W290 VanDerWaalsContact CG-CH2 3.49Å; F288-W290 AromaticContact CG-CZ2 3.2Å; F288-W290 HydrophobicContact CG-CZ2 3.2Å; F288-W290 HydrophobicContact CG-CZ3 4.25Å; F288-W290 HydrophobicContact CZ-CZ2 4.48Å; F288-W290 PolarHBondContact O-N 2.9Å; F288-N291 WeakPolarHBondContact CB-OD1 3.42Å; F288-N291 WeakPolarHBondContact CD2-OD1 3.27Å; F288-N291 PolarHBondContact N-OD1 2.86Å; F288-N291 VanDerWaalsContact O-CB 3.3Å; F288-N291 WeakPolarHBondContact O-CB 3.44Å; F288-N291 PolarHBondContact O-N 2.98Å; F288-N291 PolarHBondContact O-OD1 2.7Å
289D97.8Very high86.5Confident32 Ų3277.2 Ų77.217%0.17140%0.396CS..Hα-helixtrans-57.2-40.5-176.3-57.5-27.4000112.7F100 S101 T104 N291 M292 L293F100-D289 WeakPolarHBondContact CA-OD2 3.49Å; F100-D289 WeakPolarHBondContact CD1-OD2 3.43Å; S101-D289 VanDerWaalsContact CB-OD1 3.26Å; S101-D289 WeakPolarHBondContact CB-OD1 3.13Å; S101-D289 PolarHBondContact N-OD2 3.05Å; S101-D289 PolarHBondContact OG-OD1 3.17Å; S101-D289 PolarHBondContact OG-OD2 3.22Å; T104-D289 VanDerWaalsContact CB-OD2 3.31Å; T104-D289 WeakPolarHBondContact CB-OD2 3.42Å; T104-D289 PolarHBondContact OG1-N 3.36Å; T104-D289 PolarHBondContact OG1-OD1 3.39Å; T104-D289 PolarHBondContact OG1-OD2 2.88Å; T104-D289 VanDerWaalsContact OG1-OD2 3.11Å; D289-N291 PolarHBondContact O-N 3.41Å; D289-M292 PolarHBondContact O-N 3Å; D289-M292 VanDerWaalsContact O-N 3.15Å; D289-L293 PolarHBondContact O-N 3.04Å
290W97Very high84.9Confident5 Ų572 Ų722%0.01939%0.389CS..Hα-helixtrans-67.9-21.6178.75878.5000113.4L89 L92 F95 F100 T104 L108 M136 F288 K294L89-W290 HydrophobicContact CD2-CH2 4.36Å; L92-W290 HydrophobicContact CB-CD2 4.31Å; L92-W290 HydrophobicContact CB-CE3 3.88Å; L92-W290 HydrophobicContact CB-CZ3 4.21Å; L92-W290 HydrophobicContact CD1-CD2 3.89Å; L92-W290 HydrophobicContact CD1-CE3 4.03Å; L92-W290 HydrophobicContact CD1-CH2 4.02Å; L92-W290 HydrophobicContact CD1-CZ2 3.87Å; L92-W290 HydrophobicContact CD1-CZ3 4.09Å; L92-W290 HydrophobicContact CD2-CB 3.97Å; L92-W290 HydrophobicContact CD2-CD2 3.87Å; L92-W290 HydrophobicContact CD2-CE3 4.3Å; L92-W290 HydrophobicContact CD2-CG 3.73Å; L92-W290 HydrophobicContact CG-CD2 4.25Å; L92-W290 HydrophobicContact CG-CE3 4.3Å; F95-W290 HydrophobicContact CD1-CB 3.87Å; F95-W290 HydrophobicContact CE1-CB 4.02Å; F100-W290 AromaticContact CE1-CE3 3.94Å; F100-W290 HydrophobicContact CE1-CE3 3.94Å; F100-W290 AromaticContact CE1-CZ3 3.91Å; F100-W290 HydrophobicContact CE1-CZ3 3.91Å; F100-W290 HydrophobicContact CE2-CZ3 4.5Å; F100-W290 HydrophobicContact CZ-CE3 4.2Å; F100-W290 AromaticContact CZ-CZ3 3.82Å; F100-W290 HydrophobicContact CZ-CZ3 3.82Å; T104-W290 HydrophobicContact CG2-CH2 4.37Å; T104-W290 HydrophobicContact CG2-CZ3 3.84Å; L108-W290 HydrophobicContact CD1-CH2 4.34Å; L108-W290 HydrophobicContact CD1-CZ3 4.49Å; L108-W290 HydrophobicContact CD2-CH2 4.17Å; M136-W290 HydrophobicContact CE-CZ2 4.08Å; M136-W290 HydrophobicContact CG-CZ2 4Å; M136-W290 HydrophobicContact SD-CH2 4.37Å; M136-W290 HydrophobicContact SD-CZ2 3.94Å; F288-W290 VanDerWaalsContact C-N 3.28Å; F288-W290 HydrophobicContact CB-CD2 3.69Å; F288-W290 HydrophobicContact CB-CE3 3.89Å; F288-W290 HydrophobicContact CB-CG 4.42Å; F288-W290 HydrophobicContact CB-CH2 3.57Å; F288-W290 HydrophobicContact CB-CZ2 3.34Å; F288-W290 HydrophobicContact CB-CZ3 3.83Å; F288-W290 AromaticContact CD1-CH2 3.51Å; F288-W290 HydrophobicContact CD1-CH2 3.51Å; F288-W290 AromaticContact CD1-CZ2 3.68Å; F288-W290 HydrophobicContact CD1-CZ2 3.68Å; F288-W290 HydrophobicContact CD1-CZ3 4.3Å; F288-W290 AromaticContact CD2-CE2 3.93Å; F288-W290 HydrophobicContact CD2-CH2 4.18Å; F288-W290 AromaticContact CD2-CZ2 3.46Å; F288-W290 HydrophobicContact CD2-CZ2 3.46Å; F288-W290 VanDerWaalsContact CD2-CZ2 3.46Å; F288-W290 HydrophobicContact CE1-CH2 4.17Å; F288-W290 HydrophobicContact CE1-CZ2 4.29Å; F288-W290 HydrophobicContact CE2-CZ2 4.12Å; F288-W290 HydrophobicContact CG-CD2 4.49Å; F288-W290 AromaticContact CG-CE2 3.74Å; F288-W290 AromaticContact CG-CH2 3.49Å; F288-W290 HydrophobicContact CG-CH2 3.49Å; F288-W290 VanDerWaalsContact CG-CH2 3.49Å; F288-W290 AromaticContact CG-CZ2 3.2Å; F288-W290 HydrophobicContact CG-CZ2 3.2Å; F288-W290 HydrophobicContact CG-CZ3 4.25Å; F288-W290 HydrophobicContact CZ-CZ2 4.48Å; F288-W290 PolarHBondContact O-N 2.9Å; W290-K294 WeakPolarHBondContact O-CB 3.34Å; W290-K294 VanDerWaalsContact O-CG 3.25Å; W290-K294 WeakPolarHBondContact O-CG 3.45Å; W290-K294 PolarHBondContact O-N 3.35Å; W290-K294 VanDerWaalsContact O-N 3.16Å
291N93.7Very high83.6Confident43 Ų4370.6 Ų70.623%0.2339%0.387CS..Hα-helixtrans-66.8-44.1173-62.1106.3000109.7V287 F288 D289 K294 F295V287-N291 HydrophobicContact CG1-CB 4.16Å; F288-N291 WeakPolarHBondContact CB-OD1 3.42Å; F288-N291 WeakPolarHBondContact CD2-OD1 3.27Å; F288-N291 PolarHBondContact N-OD1 2.86Å; F288-N291 VanDerWaalsContact O-CB 3.3Å; F288-N291 WeakPolarHBondContact O-CB 3.44Å; F288-N291 PolarHBondContact O-N 2.98Å; F288-N291 PolarHBondContact O-OD1 2.7Å; D289-N291 PolarHBondContact O-N 3.41Å; N291-K294 PolarHBondContact O-N 3.36Å; N291-F295 WeakPolarHBondContact O-CD2 3.18Å; N291-F295 PolarHBondContact O-N 3.44Å
292M86.5Confident82.4Confident121 Ų12173.3 Ų73.360%0.59638%0.382SS*.Hα-helixtrans-65-41.9179.8-58.8-59.1-71.900112.1V287 D289 K294 F295 G296V287-M292 HydrophobicContact CG1-CG 4.08Å; V287-M292 HydrophobicContact CG1-SD 3.68Å; D289-M292 PolarHBondContact O-N 3Å; D289-M292 VanDerWaalsContact O-N 3.15Å; M292-K294 VanDerWaalsContact C-N 3.33Å; M292-K294 PolarHBondContact O-N 3.05Å; M292-F295 PolarHBondContact O-N 2.88Å; M292-G296 PolarHBondContact O-N 3.31Å
293L81.9Confident81.1Confident79 Ų7974.6 Ų74.641%0.41439%0.392SS..Hα-helixtrans-64.9-36.1177.1-67.2173.7000112.4F95 C96 D289 G296 A297F95-L293 HydrophobicContact CD1-CD1 4.23Å; F95-L293 HydrophobicContact CE1-CB 3.74Å; F95-L293 HydrophobicContact CE1-CD1 4.02Å; F95-L293 HydrophobicContact CZ-CB 4.05Å; C96-L293 HydrophobicContact CB-CD1 4.27Å; D289-L293 PolarHBondContact O-N 3.04Å; L293-G296 PolarHBondContact O-N 3.13Å; L293-A297 WeakPolarHBondContact O-CB 3.47Å; L293-A297 PolarHBondContact O-N 3.48Å
294K76.4Confident80.1Confident64 Ų6473.5 Ų73.528%0.27839%0.388SS..Hα-helixtrans-66-39.7175.2-76.1173.9-178.8-179.50112.2F95 W290 N291 M292 N298F95-K294 HydrophobicContact CE1-CG 4.48Å; F95-K294 HydrophobicContact CZ-CG 4.5Å; W290-K294 WeakPolarHBondContact O-CB 3.34Å; W290-K294 VanDerWaalsContact O-CG 3.25Å; W290-K294 WeakPolarHBondContact O-CG 3.45Å; W290-K294 PolarHBondContact O-N 3.35Å; W290-K294 VanDerWaalsContact O-N 3.16Å; N291-K294 PolarHBondContact O-N 3.36Å; M292-K294 VanDerWaalsContact C-N 3.33Å; M292-K294 PolarHBondContact O-N 3.05Å; K294-N298 WeakPolarHBondContact O-CB 3.38Å; K294-N298 PolarHBondContact O-N 3.15Å
295F65.6Low79.5Confident139 Ų13973.9 Ų73.961%0.6139%0.393SS*.Hα-helixtrans-66.5-42.1175.6-74.5-68.4000112.3N291 M292 N298 R299N291-F295 WeakPolarHBondContact O-CD2 3.18Å; N291-F295 PolarHBondContact O-N 3.44Å; M292-F295 PolarHBondContact O-N 2.88Å; F295-N298 PolarHBondContact O-N 3.32Å; F295-R299 PolarHBondContact O-N 3.48Å; F295-R299 VanDerWaalsContact O-N 3.16Å
296G62Low78.8Confident44 Ų4478.1 Ų78.145%0.45440%0.403SS..Hα-helixtrans-63.1-43.5175.200000112.9M292 L293 R299 A300M292-G296 PolarHBondContact O-N 3.31Å; L293-G296 PolarHBondContact O-N 3.13Å; G296-R299 PolarHBondContact O-N 3.49Å; G296-A300 PolarHBondContact O-N 3.25Å; G296-A300 VanDerWaalsContact O-N 3.13Å
297A62.1Low78.1Confident51 Ų5180.1 Ų80.142%0.42142%0.416SS..Hα-helixtrans-64.9-38.8177.200000112.7L293 A300 V301L293-A297 WeakPolarHBondContact O-CB 3.47Å; L293-A297 PolarHBondContact O-N 3.48Å; A297-A300 PolarHBondContact O-N 2.68Å; A297-V301 VanDerWaalsContact O-CG2 3.32Å; A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 2.87Å; A297-V301 VanDerWaalsContact O-N 3.1Å
298N63.4Low77.6Confident82 Ų8286 Ų8644%0.43943%0.433SS..Hα-helixtrans-65.6-41.6177.2-78.1-9000112K294 F295 V301 E302K294-N298 WeakPolarHBondContact O-CB 3.38Å; K294-N298 PolarHBondContact O-N 3.15Å; F295-N298 PolarHBondContact O-N 3.32Å; N298-V301 PolarHBondContact O-N 2.78Å; N298-E302 WeakPolarHBondContact O-CG 3.48Å; N298-E302 PolarHBondContact O-N 2.69Å
299R60.9Low76.9Confident178 Ų17893.8 Ų93.867%0.67246%0.463SS*.Hα-helixtrans-60.9-45.6174.9-74.2-175.7180-176.90.1111.9F295 G296 V301 E302 D303F295-R299 PolarHBondContact O-N 3.48Å; F295-R299 VanDerWaalsContact O-N 3.16Å; G296-R299 PolarHBondContact O-N 3.49Å; R299-V301 VanDerWaalsContact C-N 3.28Å; R299-V301 PolarHBondContact O-N 3.05Å; R299-E302 PolarHBondContact O-N 3.38Å; R299-E302 VanDerWaalsContact O-N 3.15Å; R299-D303 WeakPolarHBondContact O-CB 3.36Å; R299-D303 VanDerWaalsContact O-CG 3.25Å; R299-D303 PolarHBondContact O-N 2.94Å
300A64.6Low76.2Confident60 Ų6095.7 Ų95.750%0.49647%0.471SS..Hα-helixtrans-61.2-35.4177.700000113.1G296 A297 A304G296-A300 PolarHBondContact O-N 3.25Å; G296-A300 VanDerWaalsContact O-N 3.13Å; A297-A300 PolarHBondContact O-N 2.68Å; A300-A304 VanDerWaalsContact O-CB 3.32Å; A300-A304 WeakPolarHBondContact O-CB 3.26Å; A300-A304 PolarHBondContact O-N 3.39Å
301V71Confident75.5Confident70 Ų70104.5 Ų104.542%0.42450%0.504SS..Hα-helixtrans-69.9-42.5174.8173.10000111.2A297 N298 R299 A304 E305A297-V301 VanDerWaalsContact O-CG2 3.32Å; A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 2.87Å; A297-V301 VanDerWaalsContact O-N 3.1Å; N298-V301 PolarHBondContact O-N 2.78Å; R299-V301 VanDerWaalsContact C-N 3.28Å; R299-V301 PolarHBondContact O-N 3.05Å; V301-A304 PolarHBondContact O-N 3.23Å; V301-E305 WeakPolarHBondContact O-CG 3.3Å; V301-E305 PolarHBondContact O-N 3.03Å
302E71.9Confident75Confident121 Ų121106.2 Ų106.257%0.56551%0.511SS*.Hα-helixtrans-63.7-41.3176.5-73174.4173.400111.7N298 R299 E305 R306N298-E302 WeakPolarHBondContact O-CG 3.48Å; N298-E302 PolarHBondContact O-N 2.69Å; R299-E302 PolarHBondContact O-N 3.38Å; R299-E302 VanDerWaalsContact O-N 3.15Å; E302-E305 PolarHBondContact O-N 2.64Å; E302-R306 WeakPolarHBondContact O-CB 3.49Å; E302-R306 PolarHBondContact O-N 2.82Å
303D71.9Confident74.6Confident89 Ų89106 Ų10648%0.47651%0.508SS..Hα-helixtrans-65.2-43.9176.2-68.5-28.2000111.2R299 E305 R306 E307R299-D303 WeakPolarHBondContact O-CB 3.36Å; R299-D303 VanDerWaalsContact O-CG 3.25Å; R299-D303 PolarHBondContact O-N 2.94Å; D303-E305 PolarHBondContact O-N 2.84Å; D303-R306 WeakPolarHBondContact O-CB 3.47Å; D303-R306 PolarHBondContact O-N 3.42Å; D303-E307 WeakPolarHBondContact O-CG 3.41Å; D303-E307 PolarHBondContact O-N 2.87Å
304A75.9Confident74.4Confident55 Ų55111.1 Ų111.146%0.45552%0.522SS..Hα-helixtrans-65.1-37.417600000112.9A300 V301 R306 R308A300-A304 VanDerWaalsContact O-CB 3.32Å; A300-A304 WeakPolarHBondContact O-CB 3.26Å; A300-A304 PolarHBondContact O-N 3.39Å; V301-A304 PolarHBondContact O-N 3.23Å; A304-R306 VanDerWaalsContact C-N 3.34Å; A304-R308 WeakPolarHBondContact O-CB 3.28Å; A304-R308 PolarHBondContact O-N 2.93Å
305E81.1Confident74.3Confident105 Ų105113.1 Ų113.149%0.49154%0.535SS..Hα-helixtrans-66.6-36.7172.9-77.5-172.4-178.500111.8V301 E302 D303 R308 R309V301-E305 WeakPolarHBondContact O-CG 3.3Å; V301-E305 PolarHBondContact O-N 3.03Å; E302-E305 PolarHBondContact O-N 2.64Å; D303-E305 PolarHBondContact O-N 2.84Å; E305-R308 PolarHBondContact O-N 3.15Å; E305-R309 WeakPolarHBondContact O-CG 3.32Å; E305-R309 PolarHBondContact O-N 2.88Å
306R81.8Confident74.5Confident161 Ų161115.3 Ų115.361%0.60854%0.539SS*.Hα-helixtrans-66.2-49.4175.6-172.9-176.7180177.210.3111.7E302 D303 A304 R308 R309 E310E302-R306 WeakPolarHBondContact O-CB 3.49Å; E302-R306 PolarHBondContact O-N 2.82Å; D303-R306 WeakPolarHBondContact O-CB 3.47Å; D303-R306 PolarHBondContact O-N 3.42Å; A304-R306 VanDerWaalsContact C-N 3.34Å; R306-R308 PolarHBondContact O-N 3.39Å; R306-R309 PolarHBondContact O-N 2.91Å; R306-R309 VanDerWaalsContact O-N 3.1Å; R306-E310 IonicContact CZ-OE1 3.25Å; R306-E310 IonicContact NE-OE1 3.15Å; R306-E310 PolarHBondContact NE-OE1 3.11Å; R306-E310 IonicContact NH2-OE1 3.94Å; R306-E310 WeakPolarHBondContact O-CG 3.36Å; R306-E310 PolarHBondContact O-N 3.22Å
307E80.9Confident74.6Confident137 Ų137120.5 Ų120.564%0.6455%0.552SS**Hα-helixtrans-58.1-39.2176.1-74.3-177.117100111.7D303 E310 R311D303-E307 WeakPolarHBondContact O-CG 3.41Å; D303-E307 PolarHBondContact O-N 2.87Å; E307-E310 PolarHBondContact O-N 3.31Å; E307-R311 WeakPolarHBondContact O-CB 3.44Å; E307-R311 PolarHBondContact O-N 3.48Å
308R84.6Confident74.6Confident170 Ų170122.6 Ų122.664%0.64256%0.563SS**Hα-helixtrans-64.1-44.1175.3-175.1179169.1-177.21.6112.1A304 E305 R306 R311 E312A304-R308 WeakPolarHBondContact O-CB 3.28Å; A304-R308 PolarHBondContact O-N 2.93Å; E305-R308 PolarHBondContact O-N 3.15Å; R306-R308 PolarHBondContact O-N 3.39Å; R308-R311 PolarHBondContact O-N 2.75Å; R308-E312 IonicContact CZ-OE1 2.83Å; R308-E312 IonicContact NE-OE1 2.91Å; R308-E312 PolarHBondContact NE-OE1 2.76Å; R308-E312 IonicContact NH2-OE1 3.2Å; R308-E312 WeakPolarHBondContact O-CG 3.45Å; R308-E312 PolarHBondContact O-N 3.38Å
309R84.1Confident74.3Confident163 Ų163129.2 Ų129.262%0.61558%0.582SS**Hα-helixtrans-62.7-44.8176.3-73.1175.2-170.2-1726.9111.6E305 R306 R311 E312 E313E305-R309 WeakPolarHBondContact O-CG 3.32Å; E305-R309 PolarHBondContact O-N 2.88Å; R306-R309 PolarHBondContact O-N 2.91Å; R306-R309 VanDerWaalsContact O-N 3.1Å; R309-R311 VanDerWaalsContact C-N 3.3Å; R309-R311 PolarHBondContact O-N 2.68Å; R309-E312 PolarHBondContact O-N 2.79Å; R309-E313 PolarHBondContact O-N 3.1Å
310E83.4Confident74.2Confident73 Ų73127 Ų12734%0.34158%0.583SS.*Hα-helixtrans-63.4-36.9177.4-70.5178.7-169.500111.7R306 E307 E313 R314R306-E310 IonicContact CZ-OE1 3.25Å; R306-E310 IonicContact NE-OE1 3.15Å; R306-E310 PolarHBondContact NE-OE1 3.11Å; R306-E310 IonicContact NH2-OE1 3.94Å; R306-E310 WeakPolarHBondContact O-CG 3.36Å; R306-E310 PolarHBondContact O-N 3.22Å; E307-E310 PolarHBondContact O-N 3.31Å; E310-E313 PolarHBondContact O-N 3.28Å; E310-R314 VanDerWaalsContact O-CG 3.31Å; E310-R314 WeakPolarHBondContact O-CG 3.48Å; E310-R314 PolarHBondContact O-N 3.41Å
311R82.5Confident73.4Confident189 Ų189130.2 Ų130.271%0.71360%0.599SS**Hα-helixtrans-66.7-43.1174-164.1179.1-158.2-141.94.7112.2E307 R308 R309 R314 L315E307-R311 WeakPolarHBondContact O-CB 3.44Å; E307-R311 PolarHBondContact O-N 3.48Å; R308-R311 PolarHBondContact O-N 2.75Å; R309-R311 VanDerWaalsContact C-N 3.3Å; R309-R311 PolarHBondContact O-N 2.68Å; R311-R314 PolarHBondContact O-N 3.27Å; R311-L315 HydrophobicContact CG-CD1 4.38Å; R311-L315 WeakPolarHBondContact O-CD1 3.19Å; R311-L315 VanDerWaalsContact O-CG 3.31Å; R311-L315 WeakPolarHBondContact O-CG 2.87Å; R311-L315 PolarHBondContact O-N 3.17Å
312E81.8Confident72.4Confident80 Ų80129.9 Ų129.937%0.37461%0.609SS.*Hα-helixtrans-64.7-37.6176.3-73.9175.8-169.800111.6R308 R309 L315 R316R308-E312 IonicContact CZ-OE1 2.83Å; R308-E312 IonicContact NE-OE1 2.91Å; R308-E312 PolarHBondContact NE-OE1 2.76Å; R308-E312 IonicContact NH2-OE1 3.2Å; R308-E312 WeakPolarHBondContact O-CG 3.45Å; R308-E312 PolarHBondContact O-N 3.38Å; R309-E312 PolarHBondContact O-N 2.79Å; E312-L315 PolarHBondContact O-N 3.45Å; E312-R316 WeakPolarHBondContact O-CG 3.27Å; E312-R316 PolarHBondContact O-N 3.31Å
313E78.3Confident71.1Confident117 Ų117128.9 Ų128.955%0.54762%0.622SS.*Hα-helixtrans-68.1-41174.3-78.2-177.7172.500113.3R309 E310 L315 R316 H317R309-E313 PolarHBondContact O-N 3.1Å; E310-E313 PolarHBondContact O-N 3.28Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 3.06Å; E313-R316 PolarHBondContact O-N 2.98Å; E313-H317 PolarHBondContact O-N 2.84Å; E313-H317 PolarHBondContact O-ND1 3.34Å
314R78.8Confident69.8Low185 Ų185137 Ų13770%0.69865%0.646SS**Hα-helixtrans-62.6-39174.2-74.2177.6-171.1-164.75.7111.9E310 R311 R316 H317 S318E310-R314 VanDerWaalsContact O-CG 3.31Å; E310-R314 WeakPolarHBondContact O-CG 3.48Å; E310-R314 PolarHBondContact O-N 3.41Å; R311-R314 PolarHBondContact O-N 3.27Å; R314-R316 VanDerWaalsContact C-N 3.34Å; R314-H317 PolarHBondContact O-N 2.78Å; R314-S318 WeakPolarHBondContact O-CB 3.31Å; R314-S318 PolarHBondContact O-N 2.9Å
315L73.9Confident68Low107 Ų107138 Ų13856%0.5666%0.661SS**Hα-helixtrans-68.5-31.9175.8-73165.7000112.5R311 E312 E313 R319R311-L315 HydrophobicContact CG-CD1 4.38Å; R311-L315 WeakPolarHBondContact O-CD1 3.19Å; R311-L315 VanDerWaalsContact O-CG 3.31Å; R311-L315 WeakPolarHBondContact O-CG 2.87Å; R311-L315 PolarHBondContact O-N 3.17Å; E312-L315 PolarHBondContact O-N 3.45Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 3.06Å; L315-R319 PolarHBondContact O-N 2.93Å
316R70.1Confident65.8Low185 Ų185142.1 Ų142.170%0.69868%0.683SS**Hα-helixtrans-69.9-40.9172.7-73.8175-177.3-162.41.8112.5E312 E313 R314 R319E312-R316 WeakPolarHBondContact O-CG 3.27Å; E312-R316 PolarHBondContact O-N 3.31Å; E313-R316 PolarHBondContact O-N 2.98Å; R314-R316 VanDerWaalsContact C-N 3.34Å; R316-R319 PolarHBondContact O-N 3.08Å
317H63.8Low63.9Low153 Ų153139.5 Ų139.571%0.70870%0.696SS**Hα-helixtrans-71-31.5177-75.980000113E313 R314 R319E313-H317 PolarHBondContact O-N 2.84Å; E313-H317 PolarHBondContact O-ND1 3.34Å; R314-H317 PolarHBondContact O-N 2.78Å; H317-R319 VanDerWaalsContact C-N 3.28Å; H317-R319 PolarHBondContact O-N 3.4Å
318S61.2Low61.7Low94 Ų94138.7 Ų138.766%0.65771%0.706SS**Hα-helixtrans-70.8-23.2174.7-170.50000113.2R314R314-S318 WeakPolarHBondContact O-CB 3.31Å; R314-S318 PolarHBondContact O-N 2.9Å
319R58.4Low59.5Low221 Ų221135.2 Ų135.283%0.83471%0.713SS**THydrogen-bonded Turntrans-83.7-2.4178.9-92.5-179.5156.3-173.2-6.1115.1L315 R316 H317L315-R319 PolarHBondContact O-N 2.93Å; R316-R319 PolarHBondContact O-N 3.08Å; H317-R319 VanDerWaalsContact C-N 3.28Å; H317-R319 PolarHBondContact O-N 3.4Å
320N58.2Low57.1Low131 Ų131133.5 Ų133.570%0.70173%0.726SS**  trans-138.178.2179.7-132.915.4000112.5G322N320-G322 VanDerWaalsContact C-N 3.25Å; N320-G322 PolarHBondContact O-N 3.19Å
321P46.9Very low54.5Low129 Ų129133.5 Ų133.584%0.83875%0.746SS**  trans-79.75.7-178.7-9.427000114.9
322G49.8Very low52.1Low62 Ų62136.7 Ų136.764%0.63976%0.758SS**  trans-133.582.5-166.300000114.3N320N320-G322 VanDerWaalsContact C-N 3.25Å; N320-G322 PolarHBondContact O-N 3.19Å
323A45Very low49.6Very low100 Ų100137 Ų13783%0.82678%0.775SS**  trans-162.461.5152.500000110.6
324R45.8Very low47.5Very low259 Ų259143.3 Ų143.398%0.97779%0.793SS**  trans-124.3109.9156.7-105.8-174.2175.4-178.2-0.8107.9
325G38.3Very low45.1Very low76 Ų76139.4 Ų139.478%0.78480%0.801SS**  trans140.193.9165.100000113.8
326M35.2Very low43.2Very low192 Ų192138.6 Ų138.695%0.94681%0.81SS**  -171.5115.3116.2-102.7177.4169.200109.5
327A40.5Very low41.5Very low107 Ų107139 Ų13988%0.88482%0.819SS**  trans-81.6128.6159.800000107.7
328S34.3Very low39.9Very low120 Ų120139.2 Ų139.284%0.83983%0.826SS**  trans-132.2127.3158.963.20000108.9
329A38.8Very low38.5Very low97 Ų97139.8 Ų139.880%0.80284%0.836SS**  trans-89.6135.1175.900000109.7
330S33.5Very low37.1Very low126 Ų126133.4 Ų133.488%0.88183%0.831SS**  trans176.4125.8135.640.60000113.3
331G29.7Very low35.8Very low73 Ų73133.6 Ų133.675%0.75384%0.836SS**  trans87.6105.9132.200000121.3
332R31.1Very low35.9Very low256 Ų256132.4 Ų132.497%0.96683%0.828SS**  trans42.2142.1134.1-84.1177.8172.3178.3-2.5119.5
333A29.9Very low35.1Very low88 Ų88134.6 Ų134.673%0.72783%0.834SS**  cis-167.7160.614.100000111
334R33.8Very low34.7Very low248 Ų248135.6 Ų135.694%0.93683%0.832SS**  trans24.3128.8152.4-73.1-178.6170.6176.4-3.4120.6
335A29.8Very low34.3Very low104 Ų104130.7 Ų130.786%0.8682%0.824SS**  -178.3150.1105.100000111.8
336A34.1Very low34.1Very low90 Ų90134.4 Ų134.474%0.74483%0.826SS**  trans-77.6157.5-179.500000113.1
337Q33.3Very low34.1Very low193 Ų193130.7 Ų130.790%0.90282%0.816SS**  178.7146.7121.4-99169.51400113.1
338D30.5Very low34.2Very low158 Ų158130.4 Ų130.485%0.84581%0.814SS**  trans-55.6155.5175.4-60.1-65.2000115
339A31.6Very low34.5Very low106 Ų106129.5 Ų129.588%0.87681%0.808SS**  173.3143.6112.300000112.2
340A29.7Very low34.4Very low87 Ų87132.9 Ų132.972%0.71981%0.807SS**  trans-99.4141.2-173.200000112.3
341V30.5Very low34.6Very low134 Ų134132.5 Ų132.581%0.81280%0.799SS**  trans72.7160.3130.9-1770000117.8
342P48.3Very low34.8Very low104 Ų104131.5 Ų131.568%0.67579%0.789SS**  cis-131.8167.5-23.929.5-9.9000117.5
343S33.1Very low34.9Very low108 Ų108125.3 Ų125.376%0.75577%0.772SS**  trans70.8162.9138.1-69.30000121.9
344P36.7Very low35.1Very low121 Ų121126.6 Ų126.679%0.78676%0.764SS**  cis-130.7167.49.537.4-18.1000117.9
345L37.6Very low35.1Very low157 Ų157122 Ų12282%0.82275%0.75SS**  trans-59144.5166-69.2126.5000113.7
346N34.3Very low35.6Very low154 Ų154123.6 Ų123.682%0.82474%0.74SS**  trans-179.4166.7133.2-108.1-5.6000112.2
347P35Very low36Very low113 Ų113127.2 Ų127.273%0.73473%0.734SS**  -121.9157.6-78.223.8-1.6000111.9
348A42.6Very low36.1Very low102 Ų102124.5 Ų124.584%0.84372%0.719SS**  trans-76.7128.8167.400000110.6
349S41.7Very low36.6Very low100 Ų100119.4 Ų119.470%0.69969%0.694SS**  trans167.6122.2139.455.60000111
350H34.9Very low37Very low169 Ų169115.7 Ų115.778%0.78266%0.662SS**  trans-178.415145.2-101.7-60.8000115.6
351T38.5Very low37.4Very low117 Ų117114.6 Ų114.672%0.71864%0.642SS**SBendtrans-100.8-6-170.951.80000115.8
352G33.1Very low37.7Very low53 Ų53116.6 Ų116.655%0.54664%0.635SS.*Hα-helixtrans-76.9-41-178.200000114.9
353M34.2Very low37.3Very low125 Ų125114.1 Ų114.162%0.61662%0.616SS**Hα-helixtrans-73.7-29.2-172.7-81.9-174.7168.900114.3R357M353-R357 WeakPolarHBondContact O-CG 3.42Å
354E34.3Very low37.7Very low116 Ų116113.2 Ų113.254%0.54260%0.6SS.*Hα-helixtrans-73.4-30.5178.5-102-166.412800113K358E354-K358 PolarHBondContact O-N 2.66Å; E354-K358 VanDerWaalsContact O-N 3.15Å
355K33.5Very low37.8Very low152 Ų152118.2 Ų118.266%0.66160%0.603SS**Hα-helixtrans-71.5-42.9-177.9-78.1-173.9174.6-174.20111.9R357 K358 V359K355-R357 VanDerWaalsContact C-N 3.31Å; K355-R357 PolarHBondContact O-N 3.28Å; K355-K358 PolarHBondContact O-N 3.02Å; K355-V359 WeakPolarHBondContact O-CG2 3.18Å; K355-V359 PolarHBondContact O-N 3.13Å
356E40.9Very low37.4Very low136 Ų136113.9 Ų113.964%0.63660%0.596SS**Hα-helixtrans-62.3-38.3175.8-72.1-171.7153.500112.3V359 S360E356-V359 PolarHBondContact O-N 3.48Å; E356-S360 PolarHBondContact O-N 3.27Å
357R41Very low37.2Very low167 Ų167110.3 Ų110.363%0.6359%0.588SS**Hα-helixtrans-65.5-43.3177.7-71.7177.6177.8-176.9-1.6112.6M353 K355 V359 M361M353-R357 WeakPolarHBondContact O-CG 3.42Å; K355-R357 VanDerWaalsContact C-N 3.31Å; K355-R357 PolarHBondContact O-N 3.28Å; R357-V359 VanDerWaalsContact C-N 3.31Å; R357-V359 PolarHBondContact O-N 3.28Å; R357-M361 WeakPolarHBondContact O-CG 3.44Å; R357-M361 PolarHBondContact O-N 3.48Å
358K36.8Very low36.7Very low135 Ų135109.7 Ų109.759%0.58758%0.584SS**Hα-helixtrans-67.3-28.7178.3-76.8177-178.61670113.2E354 K355 R362E354-K358 PolarHBondContact O-N 2.66Å; E354-K358 VanDerWaalsContact O-N 3.15Å; K355-K358 PolarHBondContact O-N 3.02Å; K358-R362 PolarHBondContact O-N 3.06Å
359V39.4Very low36.1Very low51 Ų51111.5 Ų111.531%0.30958%0.584SS.*Hα-helixtrans-79.8-37.2-180176.90000112.3K355 E356 R357 M361 R362 L363K355-V359 WeakPolarHBondContact O-CG2 3.18Å; K355-V359 PolarHBondContact O-N 3.13Å; E356-V359 PolarHBondContact O-N 3.48Å; R357-V359 VanDerWaalsContact C-N 3.31Å; R357-V359 PolarHBondContact O-N 3.28Å; V359-M361 PolarHBondContact O-N 2.95Å; V359-R362 WeakPolarHBondContact O-CB 3.33Å; V359-R362 PolarHBondContact O-N 3.29Å; V359-L363 PolarHBondContact O-N 2.95Å
360S41.3Very low35.5Very low29 Ų29113.3 Ų113.320%0.20359%0.586CS.*Hα-helixtrans-59.2-36.9170.9-160.30000111.6E356 R362 H364E356-S360 PolarHBondContact O-N 3.27Å; S360-R362 VanDerWaalsContact C-N 3.34Å; S360-R362 PolarHBondContact O-N 3.18Å; S360-H364 PolarHBondContact O-ND1 3.32Å
361M37.5Very low35.3Very low63 Ų63111.8 Ų111.831%0.3158%0.582SS.*Hα-helixtrans-70.3-24.4173.5-67.5-83-85.800113.6R13 L25 R357 V359 H364R13-M361 PolarHBondContact NH2-SD 3.45Å; L25-M361 HydrophobicContact CD2-CE 4.5Å; R357-M361 WeakPolarHBondContact O-CG 3.44Å; R357-M361 PolarHBondContact O-N 3.48Å; V359-M361 PolarHBondContact O-N 2.95Å; M361-H364 PolarHBondContact O-N 3.39Å
362R38.1Very low34.8Very low176 Ų176108.5 Ų108.566%0.66456%0.564SS**Hα-helixtrans-74.7-35.3175.8-88.6-177.3175.3170.2-1.3112.9K358 V359 S360 H364 R365K358-R362 PolarHBondContact O-N 3.06Å; V359-R362 WeakPolarHBondContact O-CB 3.33Å; V359-R362 PolarHBondContact O-N 3.29Å; S360-R362 VanDerWaalsContact C-N 3.34Å; S360-R362 PolarHBondContact O-N 3.18Å; R362-H364 PolarHBondContact O-N 2.71Å; R362-R365 PolarHBondContact O-N 2.78Å
363L39.8Very low34.7Very low52 Ų52109.9 Ų109.927%0.27257%0.565SS.*Hα-helixtrans-57.7-31.7171.4-72.8168.7000111.6F95 V359F95-L363 HydrophobicContact CD2-CD2 3.41Å; F95-L363 VanDerWaalsContact CD2-CD2 3.41Å; F95-L363 HydrophobicContact CE2-CD2 3.67Å; F95-L363 HydrophobicContact CG-CD2 3.99Å; F95-L363 HydrophobicContact CZ-CD2 4.42Å; V359-L363 PolarHBondContact O-N 2.95Å
364H40.4Very low34.8Very low90 Ų90107.3 Ų107.342%0.41756%0.56SS.*THydrogen-bonded Turntrans-81.6-7176.3-67.379.7000114.5S360 M361 R362S360-H364 PolarHBondContact O-ND1 3.32Å; M361-H364 PolarHBondContact O-N 3.39Å; R362-H364 PolarHBondContact O-N 2.71Å
365R38.3Very low34.7Very low226 Ų226106.6 Ų106.685%0.85356%0.56SS**THydrogen-bonded Turntrans-100.2-3.6-174.9-95.7-172.5178.6-168.90.5114.8R362R362-R365 PolarHBondContact O-N 2.78Å
366G29.7Very low34.7Very low66 Ų66105 Ų10568%0.6856%0.558SS**SBendtrans-133.7-1.3-168.400000117.3
367A29.4Very low34.6Very low78 Ų78103 Ų10365%0.64556%0.555SS**SBendtrans-86.1127.9173.200000109.2V369A367-V369 PolarHBondContact O-N 2.81Å
368P24.8Very low34.4Very low100 Ų10098.5 Ų98.565%0.64956%0.56SS**  trans-55.3144.2164.123.9-30.3000108.2N370P368-N370 PolarHBondContact O-N 2.81Å
369V31Very low34.1Very low141 Ų141102.4 Ų102.486%0.85557%0.571SS**  trans-63.584.3170.7-176.20000107A367 I371A367-V369 PolarHBondContact O-N 2.81Å; V369-I371 PolarHBondContact O-N 3.26Å; V369-I371 VanDerWaalsContact O-N 3.14Å
370N28.5Very low34Very low138 Ų138107.5 Ų107.574%0.73859%0.592SS**  trans-70.1111.4168.8-98.4-15.5000105.3P368 S372P368-N370 PolarHBondContact O-N 2.81Å; N370-S372 PolarHBondContact O-N 3.02Å
371I30.2Very low33.4Very low136 Ų136113.6 Ų113.670%0.69762%0.622SS**  trans-59.887.2163.3-61.1170.6000105.4V369V369-I371 PolarHBondContact O-N 3.26Å; V369-I371 VanDerWaalsContact O-N 3.14Å
372S29.1Very low33Very low49 Ų49116.8 Ų116.834%0.34365%0.645SS.*  trans-56.3141.4166.71790000106.6N370 S374 D375N370-S372 PolarHBondContact O-N 3.02Å; S372-S374 WeakPolarHBondContact CB-OG 3.4Å; S372-S374 PolarHBondContact O-N 3.41Å; S372-S374 PolarHBondContact O-OG 3.17Å; S372-S374 PolarHBondContact OG-OG 2.75Å; S372-D375 PolarHBondContact O-N 3.14Å
373S30.9Very low32.6Very low81 Ų81113.8 Ų113.857%0.56665%0.651SS**THydrogen-bonded Turntrans-6623.3177.867.60000113.9D375S373-D375 VanDerWaalsContact C-N 3.34Å
374S36.7Very low32.2Very low71 Ų71122.8 Ų122.850%0.49768%0.682SS.*THydrogen-bonded Turntrans-80.6-11.8170.3480000112.9S372 L376S372-S374 WeakPolarHBondContact CB-OG 3.4Å; S372-S374 PolarHBondContact O-N 3.41Å; S372-S374 PolarHBondContact O-OG 3.17Å; S372-S374 PolarHBondContact OG-OG 2.75Å; S374-L376 PolarHBondContact O-N 2.88Å
375D30.8Very low31.6Very low101 Ų101127.4 Ų127.454%0.5471%0.705SS.*THydrogen-bonded Turntrans-67.6134.5171-78.6-19.5000110.8S372 S373S372-D375 PolarHBondContact O-N 3.14Å; S373-D375 VanDerWaalsContact C-N 3.34Å
376L35Very low31.1Very low120 Ų120121.8 Ų121.863%0.62870%0.701SS**THydrogen-bonded Turntrans97.432.5172.2-51.1164.4000117.8K221 S374 G378K221-L376 PolarHBondContact NZ-O 3.02Å; S374-L376 PolarHBondContact O-N 2.88Å; L376-G378 PolarHBondContact O-N 2.89Å
377T38.9Very low31Very low94 Ų94125.1 Ų125.158%0.57771%0.708SS**SBendtrans-88.980.8147.248.90000108.8K221K221-T377 VanDerWaalsContact NZ-CG2 3.34Å
378G35Very low31.1Very low71 Ų71126.8 Ų126.873%0.73272%0.715SS**SBendtrans170.72.8176.700000119.8L376L376-G378 PolarHBondContact O-N 2.89Å
379R32.2Very low31.3Very low218 Ų218131.2 Ų131.282%0.82373%0.727SS**  trans-118.4102.5171.6-74.7-173178.4179.3-0.1110.3
380Q36.8Very low31.3Very low157 Ų157129.2 Ų129.273%0.73473%0.726SS**  trans-88.6110.1163.5-75.1178.2-20.800106.9
381D27.7Very low31.4Very low158 Ų158130.7 Ų130.785%0.84573%0.732SS**  trans-87.2132164.1-89.8-36.3000109.8
382T30.5Very low31.5Very low129 Ų129129.9 Ų129.979%0.79174%0.739SS**  trans-77.4125.5179.149.10000111.1
383S28.3Very low31.6Very low113 Ų113138.7 Ų138.779%0.7977%0.765SS**  trans-99.9112.215660.70000109.3
384R31.6Very low31.8Very low242 Ų242141.6 Ų141.691%0.91378%0.779SS**PPolyproline II helixtrans-56.2128.7169.2-70.2172.4170.4174.4-4.5109.9
385M27.8Very low31.8Very low186 Ų186144.3 Ų144.392%0.91679%0.792SS**PPolyproline II helixtrans-102.5120.2153.8-79.3-160.779.800108.6
386S27.8Very low32.3Very low109 Ų109145.5 Ų145.576%0.76281%0.806SS**PPolyproline II helixtrans-67.9133.5173.9-168.60000109.7S388S386-S388 PolarHBondContact O-N 3.48Å
387T29.1Very low32.4Very low136 Ų136145.7 Ų145.783%0.83482%0.817SS**PPolyproline II helixtrans-60.5124.5161.740.60000109.8
388S30.3Very low32.2Very low112 Ų112145 Ų14578%0.78383%0.829SS**  trans-121.2115.9159.262.90000108.9S386S386-S388 PolarHBondContact O-N 3.48Å
389Q30Very low32.2Very low193 Ų193149.7 Ų149.790%0.90284%0.836SS**  trans-57.3137.1166-70169.6-24.700110.2
390A30.9Very low32.6Very low100 Ų100148.9 Ų148.983%0.82684%0.842SS**  trans-141.2120.2154.400000108.6
391L30.1Very low32.8Very low168 Ų168146.5 Ų146.588%0.8884%0.843SS**  trans-69.4138174.9-74.3127.9000110.9
392S32.3Very low33.5Very low119 Ų119143.8 Ų143.883%0.83284%0.842SS**  trans-155.2114.8144.357.30000110.7
393R31.6Very low33.9Very low234 Ų234142 Ų14288%0.88384%0.841SS**  trans-61.3138.2172.9-70.5169.3165.7179.8-5.8111.5
394V34.2Very low35.8Very low143 Ų143142.3 Ų142.387%0.86784%0.839SS**  trans-145.5116141.8-177.10000108.2
395T36.6Very low36.4Very low127 Ų127145.9 Ų145.978%0.77985%0.853SS**PPolyproline II helixtrans-88.2140.3169.641.70000110.2
396P42.2Very low36.9Very low127 Ų127143.9 Ų143.983%0.82585%0.85SS**PPolyproline II helixtrans-94.7130.3164.920.5-5.1000111.3
397S36.7Very low37.3Very low123 Ų123145.7 Ų145.786%0.8686%0.855SS**PPolyproline II helixtrans-75.2117.617145.60000110.8
398G33.8Very low37.8Very low80 Ų80146.3 Ų146.383%0.82586%0.856SS**PPolyproline II helixtrans-88.8131.7170.500000111.7
399L35.1Very low38.2Very low170 Ų170148.3 Ų148.389%0.8986%0.86SS**  trans-130.3110.7169.8-112.4155.2000105.7
400Q41.5Very low38.8Very low200 Ų200145.5 Ų145.594%0.93586%0.857SS**  trans-158.1128.8154.7-113169.82400110.9
401S39.8Very low39.3Very low108 Ų108148.5 Ų148.576%0.75586%0.859SS**  trans-99.2152-169.552.50000112.2
402A42.8Very low39.9Very low101 Ų101147.1 Ų147.184%0.83586%0.858SS**  trans78124.7142.800000119.9
403A39.8Very low40.5Very low92 Ų92149.3 Ų149.376%0.7686%0.86SS**  trans-70.2-178.3171.900000112.4
404P67Low41.3Very low118 Ų118142.3 Ų142.377%0.76686%0.858SS**  -152140.871.935.9-14.8000116.7
405R45.7Very low41.9Very low318 Ų318142.2 Ų142.2100%1.286%0.857SS**  165.30115.3-91.6-169.5-177.9-157.50.9110.9

Retrieved 405 of 405 residues in 238.6 ms (Link to these results)

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