A0A087Y779_POEFO Loading...

Cyanocobalamin reductase / alkylcobalamin dealkylase

AlphaFold DB , UniProt , Accession A0A087Y779, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 266 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
1M36.5Very low65.4Low240 Ų24082.8 Ų82.8100%1.18253%0.531SS*.  0108.20-67.1-75.5-90.600105.7A3M1-A3 PolarHBondContact O-N 3.44Å
2A34.2Very low67.8Low105 Ų10579.2 Ų79.287%0.86850%0.504SS*.  trans-70.1115.7177.700000107.2S4A2-S4 PolarHBondContact O-N 3.37Å
3A44.7Very low69.9Low73 Ų7375.8 Ų75.860%0.60349%0.494SS*.  trans-58.2121.3169.100000107M1 S5M1-A3 PolarHBondContact O-N 3.44Å; A3-S5 PolarHBondContact O-N 3.1Å
4S47.6Very low71.7Confident71 Ų7173.9 Ų73.950%0.49748%0.481SS..  trans-60.1112.1172.2176.90000107A2 A6A2-S4 PolarHBondContact O-N 3.37Å; S4-A6 PolarHBondContact O-N 3.12Å
5S53.4Low73.3Confident119 Ų11968.9 Ų68.983%0.83245%0.449SS*.  trans-77.460.3-179.463.30000109.9A3 S7A3-S5 PolarHBondContact O-N 3.1Å; S5-S7 PolarHBondContact O-N 2.65Å; S5-S7 VanDerWaalsContact O-N 3.11Å
6A65.5Low74.6Confident21 Ų2165.4 Ų65.417%0.17443%0.429CS..  trans-62.5115.4170.300000107.5S4 V11 L101 V173S4-A6 PolarHBondContact O-N 3.12Å; A6-V11 HydrophobicContact CB-CG2 4.25Å; A6-L101 HydrophobicContact CB-CD1 4.42Å; A6-V173 HydrophobicContact CB-CG1 4.27Å; A6-V173 HydrophobicContact CB-CG2 3.94Å; A6-V173 VanDerWaalsContact O-CG1 3.28Å; A6-V173 WeakPolarHBondContact O-CG1 3.05Å
7S81.6Confident75.7Confident62 Ų6266.8 Ų66.843%0.43444%0.44SS..  trans-67.9160.6173.6650000109.9S5 E9 G10 V11S5-S7 PolarHBondContact O-N 2.65Å; S5-S7 VanDerWaalsContact O-N 3.11Å; S7-E9 PolarHBondContact O-N 3.11Å; S7-G10 WeakPolarHBondContact O-CA 3.4Å; S7-G10 PolarHBondContact O-N 2.78Å; S7-G10 PolarHBondContact OG-N 3.21Å; S7-G10 VanDerWaalsContact OG-N 3.09Å; S7-V11 PolarHBondContact O-N 3.27Å
8V85.3Confident76.8Confident22 Ų2264.6 Ų64.613%0.13343%0.426CS..Hα-helixtrans-49.8-44.1171.61780000110.9G10 V11 I12 P28 V175 L179V8-G10 VanDerWaalsContact C-N 3.33Å; V8-G10 PolarHBondContact O-N 3.09Å; V8-V11 PolarHBondContact O-N 3.2Å; V8-V11 VanDerWaalsContact O-N 3.11Å; V8-I12 HydrophobicContact CG1-CG1 3.92Å; V8-I12 WeakPolarHBondContact O-CB 3.33Å; V8-I12 WeakPolarHBondContact O-CG1 3.39Å; V8-I12 PolarHBondContact O-N 2.93Å; V8-P28 HydrophobicContact CG1-CB 4Å; V8-P28 HydrophobicContact CG1-CG 4.13Å; V8-V175 HydrophobicContact CG2-CB 4.22Å; V8-V175 HydrophobicContact CG2-CG1 3.46Å; V8-V175 VanDerWaalsContact CG2-CG1 3.46Å; V8-L179 HydrophobicContact CG1-CD1 4.31Å; V8-L179 HydrophobicContact CG2-CB 4.12Å; V8-L179 HydrophobicContact CG2-CD1 4.37Å; V8-L179 HydrophobicContact CG2-CD2 4.19Å; V8-L179 HydrophobicContact CG2-CG 4.42Å
9E87.6Confident78Confident163 Ų16361.2 Ų61.276%0.76240%0.403SS*.Hα-helixtrans-63.5-38.2177.5-65.5-177.1166.900112.4S7 V11 G13S7-E9 PolarHBondContact O-N 3.11Å; E9-V11 PolarHBondContact O-N 2.84Å; E9-G13 PolarHBondContact O-N 3.04Å
10G90.1Very high78.9Confident35 Ų3562.2 Ų62.236%0.36141%0.408SS..Hα-helixtrans-63.4-17.7174.600000114S7 V8 P14S7-G10 WeakPolarHBondContact O-CA 3.4Å; S7-G10 PolarHBondContact O-N 2.78Å; S7-G10 PolarHBondContact OG-N 3.21Å; S7-G10 VanDerWaalsContact OG-N 3.09Å; V8-G10 VanDerWaalsContact C-N 3.33Å; V8-G10 PolarHBondContact O-N 3.09Å; G10-P14 VanDerWaalsContact O-CD 3.3Å; G10-P14 WeakPolarHBondContact O-CD 3.38Å; G10-P14 VanDerWaalsContact O-CG 3.3Å; G10-P14 WeakPolarHBondContact O-CG 3.38Å
11V92.8Very high79.7Confident0 Ų066.1 Ų66.10%042%0.418CS..Hα-helixtrans-99.8-48.1173.7172.20000111.8A6 S7 V8 E9 L15 L51 V53 F98 F170A6-V11 HydrophobicContact CB-CG2 4.25Å; S7-V11 PolarHBondContact O-N 3.27Å; V8-V11 PolarHBondContact O-N 3.2Å; V8-V11 VanDerWaalsContact O-N 3.11Å; E9-V11 PolarHBondContact O-N 2.84Å; V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 WeakPolarHBondContact O-CB 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.29Å; V11-L15 PolarHBondContact O-N 3.19Å; V11-L51 HydrophobicContact CB-CD2 3.85Å; V11-L51 HydrophobicContact CG1-CD2 3.99Å; V11-L51 HydrophobicContact CG2-CD2 3.79Å; V11-V53 HydrophobicContact CG1-CG2 4.03Å; V11-F98 HydrophobicContact CB-CZ 4.37Å; V11-F98 HydrophobicContact CG1-CZ 4.12Å; V11-F98 HydrophobicContact CG2-CE1 4.32Å; V11-F98 WeakPolarHBondContact O-CZ 3.41Å; V11-F170 HydrophobicContact CG1-CD1 4.29Å; V11-F170 HydrophobicContact CG1-CD2 4.14Å; V11-F170 HydrophobicContact CG1-CE1 3.69Å; V11-F170 HydrophobicContact CG1-CE2 3.53Å; V11-F170 HydrophobicContact CG1-CZ 3.29Å; V11-F170 HydrophobicContact CG2-CD1 4.21Å; V11-F170 HydrophobicContact CG2-CE1 4.15Å
12I94.3Very high82.7Confident39 Ų3956.8 Ų56.820%0.237%0.373CS..Hα-helixtrans-69-39.3-175-64.8-59.1000111.8V8 G16 V26 P28 V53V8-I12 HydrophobicContact CG1-CG1 3.92Å; V8-I12 WeakPolarHBondContact O-CB 3.33Å; V8-I12 WeakPolarHBondContact O-CG1 3.39Å; V8-I12 PolarHBondContact O-N 2.93Å; I12-G16 PolarHBondContact O-N 2.94Å; I12-V26 HydrophobicContact CD1-CG2 4.37Å; I12-V26 HydrophobicContact CG2-CG2 4.27Å; I12-P28 HydrophobicContact CD1-CB 3.92Å; I12-P28 HydrophobicContact CD1-CG 4.14Å; I12-P28 HydrophobicContact CG1-CB 4.14Å; I12-P28 HydrophobicContact CG1-CG 4.14Å; I12-V53 HydrophobicContact CD1-CG1 3.95Å; I12-V53 HydrophobicContact CD1-CG2 3.75Å
13G94.7Very high85.7Confident36 Ų3652 Ų5237%0.37133%0.334SS..Hα-helixtrans-60.1-55.4179.900000113.2E9 G16 S17E9-G13 PolarHBondContact O-N 3.04Å; G13-G16 PolarHBondContact O-N 2.89Å; G13-S17 WeakPolarHBondContact O-CB 3.26Å; G13-S17 PolarHBondContact O-N 3.21Å; G13-S17 PolarHBondContact O-OG 2.85Å
14P95.6Very high88.3Confident48 Ų4848.5 Ų48.531%0.31231%0.305SS..Hα-helixtrans-61.6-45.1176.9-27.737.8000113.4G10 G16 S17 C18 F98G10-P14 VanDerWaalsContact O-CD 3.3Å; G10-P14 WeakPolarHBondContact O-CD 3.38Å; G10-P14 VanDerWaalsContact O-CG 3.3Å; G10-P14 WeakPolarHBondContact O-CG 3.38Å; P14-G16 PolarHBondContact O-N 2.83Å; P14-S17 PolarHBondContact O-N 2.94Å; P14-C18 PolarHBondContact O-N 3.11Å; P14-F98 HydrophobicContact CB-CE1 4.21Å; P14-F98 HydrophobicContact CB-CZ 4.01Å; P14-F98 HydrophobicContact CG-CE1 4.34Å; P14-F98 HydrophobicContact CG-CZ 4.5Å
15L95.1Very high90.7Very high0 Ų047.1 Ų47.10%029%0.291CS..Hα-helixtrans-59-49.6176.5-81.1179.1000112.1V11 S17 C18 L19 V26 V53 A93 V94 F98 L168 F170V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 WeakPolarHBondContact O-CB 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.29Å; V11-L15 PolarHBondContact O-N 3.19Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.15Å; L15-C18 PolarHBondContact O-N 3.46Å; L15-L19 HydrophobicContact CD2-CD1 4.24Å; L15-L19 WeakPolarHBondContact O-CB 3.32Å; L15-L19 PolarHBondContact O-N 2.85Å; L15-V26 HydrophobicContact CB-CG2 4.47Å; L15-V53 HydrophobicContact CD1-CB 4.31Å; L15-V53 HydrophobicContact CD1-CG1 4.03Å; L15-V53 HydrophobicContact CD1-CG2 4.21Å; L15-A93 HydrophobicContact CD2-CB 4.4Å; L15-V94 HydrophobicContact CD2-CG2 4.46Å; L15-F98 HydrophobicContact CD1-CE2 4.27Å; L15-F98 HydrophobicContact CD2-CE2 3.7Å; L15-F98 HydrophobicContact CD2-CZ 4.47Å; L15-F98 HydrophobicContact CG-CE2 3.58Å; L15-F98 HydrophobicContact CG-CZ 3.9Å; L15-L168 HydrophobicContact CD1-CD2 4.44Å; L15-L168 HydrophobicContact CD2-CD2 4.38Å; L15-F170 HydrophobicContact CD1-CE2 4.37Å; L15-F170 HydrophobicContact CD1-CZ 3.99Å
16G94.3Very high92.8Very high13 Ų1342.5 Ų42.513%0.13426%0.257CS..Hα-helixtrans-60.3-42.1179.900000111.8I12 G13 P14 C18 L19 T20I12-G16 PolarHBondContact O-N 2.94Å; G13-G16 PolarHBondContact O-N 2.89Å; P14-G16 PolarHBondContact O-N 2.83Å; G16-C18 VanDerWaalsContact C-N 3.26Å; G16-C18 PolarHBondContact O-N 3.48Å; G16-L19 PolarHBondContact O-N 3.22Å; G16-T20 WeakPolarHBondContact O-CB 3.49Å; G16-T20 PolarHBondContact O-N 3Å; G16-T20 PolarHBondContact O-OG1 3.28Å; G16-T20 VanDerWaalsContact O-OG1 3.12Å
17S94.5Very high94.4Very high88 Ų8844.1 Ų44.162%0.61526%0.26SS*.Hα-helixtrans-60.8-34.1177.6-600000112.9G13 P14 L15G13-S17 WeakPolarHBondContact O-CB 3.26Å; G13-S17 PolarHBondContact O-N 3.21Å; G13-S17 PolarHBondContact O-OG 2.85Å; P14-S17 PolarHBondContact O-N 2.94Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.15Å
18C95.6Very high95.2Very high27 Ų2742.6 Ų42.618%0.18225%0.248CC..Hα-helixtrans-81-42.7176.2-73.60000113.1P14 L15 G16 K21 A93P14-C18 PolarHBondContact O-N 3.11Å; L15-C18 PolarHBondContact O-N 3.46Å; G16-C18 VanDerWaalsContact C-N 3.26Å; G16-C18 PolarHBondContact O-N 3.48Å; C18-K21 WeakPolarHBondContact O-CE 3.34Å; C18-A93 HydrophobicContact CB-CB 3.76Å
19L97.8Very high95.8Very high0 Ų041.5 Ų41.50%024%0.242CC..Hα-helixtrans-94.8-32.7-166.2-70.2177.2000113.9L15 G16 K21 L22 F24 V26 V55 C89 A93L15-L19 HydrophobicContact CD2-CD1 4.24Å; L15-L19 WeakPolarHBondContact O-CB 3.32Å; L15-L19 PolarHBondContact O-N 2.85Å; G16-L19 PolarHBondContact O-N 3.22Å; L19-K21 PolarHBondContact O-N 3.15Å; L19-L22 CarbonylContact O-C 3.45Å; L19-L22 WeakPolarHBondContact O-CA 3.16Å; L19-L22 WeakPolarHBondContact O-CB 3.37Å; L19-L22 PolarHBondContact O-N 2.81Å; L19-F24 HydrophobicContact CB-CB 3.95Å; L19-F24 HydrophobicContact CD2-CD2 4.23Å; L19-F24 PolarHBondContact O-N 3.48Å; L19-V26 HydrophobicContact CB-CG1 4.45Å; L19-V26 HydrophobicContact CD1-CG1 3.84Å; L19-V55 HydrophobicContact CD1-CG1 4.4Å; L19-V55 HydrophobicContact CD1-CG2 4.41Å; L19-C89 HydrophobicContact CD2-CB 4.39Å; L19-A93 HydrophobicContact CD1-CB 4.21Å; L19-A93 HydrophobicContact CD2-CB 3.74Å; L19-A93 HydrophobicContact CG-CB 3.76Å
20T96.4Very high96.3Very high81 Ų8135.1 Ų35.150%0.49721%0.211SC..G310 helixtrans-67.4-34.3-175-600000113.4G16 L22 G23 F24G16-T20 WeakPolarHBondContact O-CB 3.49Å; G16-T20 PolarHBondContact O-N 3Å; G16-T20 PolarHBondContact O-OG1 3.28Å; G16-T20 VanDerWaalsContact O-OG1 3.12Å; T20-L22 PolarHBondContact O-N 2.97Å; T20-G23 PolarHBondContact O-N 3.04Å; T20-G23 VanDerWaalsContact O-N 3.13Å; T20-F24 VanDerWaalsContact CA-O 3.28Å; T20-F24 WeakPolarHBondContact CA-O 3.3Å; T20-F24 PolarHBondContact OG1-O 3.2Å
21K96.7Very high96.7Very high145 Ų14533.5 Ų33.563%0.6319%0.194SC*.G310 helixtrans-66.4-13.5172.970.8-175.2-178.6-176.20114C18 L19 Q64C18-K21 WeakPolarHBondContact O-CE 3.34Å; L19-K21 PolarHBondContact O-N 3.15Å; K21-Q64 PolarHBondContact O-OE1 3.18Å; K21-Q64 VanDerWaalsContact O-OE1 3.14Å
22L98.1Very high96.9Very high44 Ų4434 Ų3423%0.2320%0.199CC..G310 helixtrans-104.614.2179-61-179.7000111.3L19 T20 F24 M61 A65 C89L19-L22 CarbonylContact O-C 3.45Å; L19-L22 WeakPolarHBondContact O-CA 3.16Å; L19-L22 WeakPolarHBondContact O-CB 3.37Å; L19-L22 PolarHBondContact O-N 2.81Å; T20-L22 PolarHBondContact O-N 2.97Å; L22-F24 HydrophobicContact CB-CD2 3.81Å; L22-F24 HydrophobicContact CB-CE2 3.96Å; L22-F24 WeakPolarHBondContact O-CD2 3.47Å; L22-M61 WeakPolarHBondContact O-CA 3.48Å; L22-A65 HydrophobicContact CB-CB 4.05Å; L22-C89 HydrophobicContact CD1-CB 4.29Å
23G98.3Very high97.1Very high4 Ų433.8 Ų33.84%0.04120%0.196CC..THydrogen-bonded Turntrans76.823.517800000114.8T20 T58 Q64T20-G23 PolarHBondContact O-N 3.04Å; T20-G23 VanDerWaalsContact O-N 3.13Å; G23-T58 WeakPolarHBondContact O-CB 3.49Å; G23-T58 WeakPolarHBondContact O-CG2 3.44Å; G23-T58 PolarHBondContact O-N 3.46Å; G23-T58 PolarHBondContact O-OG1 3Å; G23-Q64 VanDerWaalsContact N-OE1 3.13Å
24F98.7Very high97.3Very high1 Ų132 Ų320%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-105.2156.6172.7-62.2-91.3000112.4L19 T20 L22 V55 L56 M61 A65 V86 C89 R165L19-F24 HydrophobicContact CB-CB 3.95Å; L19-F24 HydrophobicContact CD2-CD2 4.23Å; L19-F24 PolarHBondContact O-N 3.48Å; T20-F24 VanDerWaalsContact CA-O 3.28Å; T20-F24 WeakPolarHBondContact CA-O 3.3Å; T20-F24 PolarHBondContact OG1-O 3.2Å; L22-F24 HydrophobicContact CB-CD2 3.81Å; L22-F24 HydrophobicContact CB-CE2 3.96Å; L22-F24 WeakPolarHBondContact O-CD2 3.47Å; F24-V55 HydrophobicContact CB-CG1 4.18Å; F24-V55 HydrophobicContact CD1-CG1 3.76Å; F24-V55 HydrophobicContact CG-CG1 4.29Å; F24-L56 CarbonylContact C-O 3.41Å; F24-L56 WeakPolarHBondContact CA-O 3.43Å; F24-L56 WeakPolarHBondContact CB-O 3.46Å; F24-L56 WeakPolarHBondContact CD1-O 3.28Å; F24-M61 HydrophobicContact CD1-CG 4.37Å; F24-M61 HydrophobicContact CD2-CG 4.24Å; F24-M61 HydrophobicContact CE1-CG 3.79Å; F24-M61 HydrophobicContact CE2-CG 3.63Å; F24-M61 HydrophobicContact CZ-CG 3.38Å; F24-M61 HydrophobicContact CZ-SD 4.17Å; F24-A65 HydrophobicContact CE2-CB 4.1Å; F24-V86 HydrophobicContact CE1-CG2 4.24Å; F24-V86 HydrophobicContact CZ-CG2 4.32Å; F24-C89 HydrophobicContact CE2-CB 3.94Å; F24-C89 HydrophobicContact CZ-CB 4.15Å; F24-R165 HydrophobicContact CE1-CG 4.32Å
25E98.6Very high97.4Very high42 Ų4230.3 Ų30.320%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-122.4149.5168.3-66.4-179.8168.500109.7Y27 V55 L56 T58 H155 F158E25-Y27 HydrophobicContact CB-CD2 4.37Å; E25-Y27 HydrophobicContact CB-CE2 3.52Å; E25-Y27 PolarHBondContact OE2-OH 3.03Å; E25-V55 WeakPolarHBondContact O-CA 3.14Å; E25-L56 PolarHBondContact N-O 2.83Å; E25-L56 PolarHBondContact O-N 2.9Å; E25-T58 HydrophobicContact CG-CG2 3.83Å; E25-H155 IonicContact OE2-CE1 3.3Å; E25-H155 IonicContact OE2-NE2 2.76Å; E25-H155 PolarHBondContact OE2-NE2 3.28Å; E25-F158 WeakPolarHBondContact OE1-CE2 3.42Å
26V98.3Very high97.6Very high21 Ų2134.2 Ų34.213%0.12719%0.194CC..EExtended strand (participates in β ladder)trans-128.2135.2-177.3-57.10000110I12 L15 L19 V53 V54 V55I12-V26 HydrophobicContact CD1-CG2 4.37Å; I12-V26 HydrophobicContact CG2-CG2 4.27Å; L15-V26 HydrophobicContact CB-CG2 4.47Å; L19-V26 HydrophobicContact CB-CG1 4.45Å; L19-V26 HydrophobicContact CD1-CG1 3.84Å; V26-V53 HydrophobicContact CB-CG1 3.79Å; V26-V53 HydrophobicContact CG1-CG1 4.5Å; V26-V54 WeakPolarHBondContact CA-O 3.43Å; V26-V55 HydrophobicContact CG1-CG2 4.07Å
27Y98.3Very high97.7Very high56 Ų5637 Ų3722%0.2221%0.208CC..EExtended strand (participates in β ladder)trans-134.8123.7-177.5-61.6-99.2000110.4E25 V53 V54 L56 A130 H155E25-Y27 HydrophobicContact CB-CD2 4.37Å; E25-Y27 HydrophobicContact CB-CE2 3.52Å; E25-Y27 PolarHBondContact OE2-OH 3.03Å; Y27-V53 WeakPolarHBondContact O-CA 3.4Å; Y27-V54 HydrophobicContact CD2-CG1 4.49Å; Y27-V54 PolarHBondContact N-O 3.11Å; Y27-V54 PolarHBondContact O-N 2.9Å; Y27-L56 HydrophobicContact CD2-CD1 3.5Å; Y27-L56 HydrophobicContact CE2-CD1 3.77Å; Y27-L56 HydrophobicContact CE2-CD2 4.15Å; Y27-A130 HydrophobicContact CD1-CB 3.83Å; Y27-A130 HydrophobicContact CD2-CB 3.43Å; Y27-A130 VanDerWaalsContact CD2-CB 3.43Å; Y27-A130 HydrophobicContact CE1-CB 4.04Å; Y27-A130 HydrophobicContact CE2-CB 3.64Å; Y27-A130 HydrophobicContact CG-CB 3.54Å; Y27-H155 PolarHBondContact OH-NE2 3.24Å
28P98Very high97.9Very high29 Ų2934 Ų3419%0.18819%0.185CC..EExtended strand (participates in β ladder)trans-71.8149.8177.529.5-32.8000111.3V8 I12 L51 A52 L179V8-P28 HydrophobicContact CG1-CB 4Å; V8-P28 HydrophobicContact CG1-CG 4.13Å; I12-P28 HydrophobicContact CD1-CB 3.92Å; I12-P28 HydrophobicContact CD1-CG 4.14Å; I12-P28 HydrophobicContact CG1-CB 4.14Å; I12-P28 HydrophobicContact CG1-CG 4.14Å; P28-L51 HydrophobicContact CB-CD1 4.05Å; P28-A52 CarbonylContact C-O 3.55Å; P28-A52 WeakPolarHBondContact CA-O 3.35Å; P28-L179 HydrophobicContact CB-CD1 4.22Å; P28-L179 HydrophobicContact CB-CD2 4.29Å; P28-L179 HydrophobicContact CG-CD1 4.09Å
29L97.8Very high98Very high0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-149.8158.3168.468.195.8000110.3W33 A52 V54 A124 V127 L167L29-W33 HydrophobicContact CB-CE3 3.96Å; L29-W33 HydrophobicContact CB-CZ3 4.29Å; L29-A52 HydrophobicContact CD1-CB 3.8Å; L29-A52 HydrophobicContact CG-CB 3.99Å; L29-A52 PolarHBondContact N-O 3.48Å; L29-A52 PolarHBondContact O-N 3.42Å; L29-V54 HydrophobicContact CD2-CB 4.32Å; L29-A124 HydrophobicContact CD2-CB 4.27Å; L29-V127 HydrophobicContact CD1-CG2 4.49Å; L29-V127 HydrophobicContact CD2-CG2 4.32Å; L29-L167 HydrophobicContact CD2-CD1 3.99Å
30K97.9Very high97.9Very high29 Ų2940.9 Ų40.913%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-88.1139.1166.3-60.4-166.2-175.2-165.20110.6G32 W33 Y34 V175 G176 L179K30-G32 PolarHBondContact O-N 2.81Å; K30-W33 HydrophobicContact CB-CD2 3.75Å; K30-W33 HydrophobicContact CB-CE3 4.33Å; K30-W33 HydrophobicContact CB-CG 3.89Å; K30-W33 HydrophobicContact CB-CZ2 4.35Å; K30-W33 HydrophobicContact CD-CZ2 3.9Å; K30-W33 HydrophobicContact CG-CD2 4.04Å; K30-W33 HydrophobicContact CG-CE3 4.49Å; K30-W33 HydrophobicContact CG-CH2 4.21Å; K30-W33 HydrophobicContact CG-CZ2 3.7Å; K30-W33 WeakPolarHBondContact O-CB 3.41Å; K30-W33 PolarHBondContact O-N 2.91Å; K30-Y34 PolarHBondContact O-N 2.87Å; K30-V175 HydrophobicContact CD-CG2 4.2Å; K30-V175 WeakPolarHBondContact CE-O 3.3Å; K30-V175 HydrophobicContact CG-CG2 3.83Å; K30-V175 PolarHBondContact NZ-O 3.27Å; K30-G176 WeakPolarHBondContact CE-O 3.44Å; K30-G176 PolarHBondContact NZ-O 3.25Å; K30-L179 WeakPolarHBondContact CE-O 3.42Å; K30-L179 HydrophobicContact CG-CD2 3.92Å
31V98.3Very high97.9Very high0 Ų040.5 Ų40.50%023%0.23CC..Hα-helixtrans-54.6-38.2175.1170.10000111.3W33 Y34 N35 L44 A50 A52 V169V31-W33 VanDerWaalsContact C-N 3.27Å; V31-W33 PolarHBondContact O-N 2.95Å; V31-Y34 PolarHBondContact O-N 3.2Å; V31-Y34 VanDerWaalsContact O-N 3.14Å; V31-N35 WeakPolarHBondContact CG1-ND2 3.39Å; V31-N35 PolarHBondContact O-N 3.32Å; V31-L44 HydrophobicContact CG1-CB 3.93Å; V31-L44 HydrophobicContact CG1-CD1 4.32Å; V31-L44 HydrophobicContact CG1-CG 4.49Å; V31-L44 HydrophobicContact CG2-CD1 4.36Å; V31-A50 HydrophobicContact CB-CB 4.42Å; V31-A50 HydrophobicContact CG2-CB 3.96Å; V31-A50 PolarHBondContact N-O 3.3Å; V31-A50 VanDerWaalsContact N-O 3.11Å; V31-A52 HydrophobicContact CG2-CB 4.21Å; V31-V169 HydrophobicContact CG2-CG1 4.14Å
32G98Very high97.9Very high11 Ų1136.2 Ų36.211%0.11321%0.211CC..Hα-helixtrans-59.8-33.4177.100000113.6K30 S36 D48K30-G32 PolarHBondContact O-N 2.81Å; G32-S36 WeakPolarHBondContact O-CB 3.23Å; G32-S36 PolarHBondContact O-N 3.12Å; G32-S36 PolarHBondContact O-OG 3.38Å; G32-D48 WeakPolarHBondContact CA-OD1 3.21Å; G32-D48 PolarHBondContact N-O 2.85Å
33W98.4Very high97.9Very high34 Ų3437.9 Ų37.913%0.12922%0.218CC..Hα-helixtrans-66-43.3175.9-57.7-16.5000111.5L29 K30 V31 S36 V127 L179 V180 R181L29-W33 HydrophobicContact CB-CE3 3.96Å; L29-W33 HydrophobicContact CB-CZ3 4.29Å; K30-W33 HydrophobicContact CB-CD2 3.75Å; K30-W33 HydrophobicContact CB-CE3 4.33Å; K30-W33 HydrophobicContact CB-CG 3.89Å; K30-W33 HydrophobicContact CB-CZ2 4.35Å; K30-W33 HydrophobicContact CD-CZ2 3.9Å; K30-W33 HydrophobicContact CG-CD2 4.04Å; K30-W33 HydrophobicContact CG-CE3 4.49Å; K30-W33 HydrophobicContact CG-CH2 4.21Å; K30-W33 HydrophobicContact CG-CZ2 3.7Å; K30-W33 WeakPolarHBondContact O-CB 3.41Å; K30-W33 PolarHBondContact O-N 2.91Å; V31-W33 VanDerWaalsContact C-N 3.27Å; V31-W33 PolarHBondContact O-N 2.95Å; W33-S36 PolarHBondContact O-OG 3.12Å; W33-V127 HydrophobicContact CB-CB 4.27Å; W33-V127 HydrophobicContact CB-CG2 4.44Å; W33-L179 HydrophobicContact CH2-CD1 4.23Å; W33-L179 HydrophobicContact CH2-CD2 4.07Å; W33-L179 HydrophobicContact CH2-CG 3.6Å; W33-L179 HydrophobicContact CZ2-CG 4.21Å; W33-L179 WeakPolarHBondContact CZ2-O 3.42Å; W33-L179 HydrophobicContact CZ3-CD2 4.48Å; W33-L179 HydrophobicContact CZ3-CG 4.37Å; W33-V180 WeakPolarHBondContact CH2-O 3.4Å; W33-R181 HydrophobicContact CD2-CB 3.89Å; W33-R181 HydrophobicContact CD2-CG 3.95Å; W33-R181 HydrophobicContact CE3-CB 4.13Å; W33-R181 HydrophobicContact CE3-CG 3.99Å; W33-R181 HydrophobicContact CG-CG 4.35Å; W33-R181 HydrophobicContact CH2-CB 3.89Å; W33-R181 VanDerWaalsContact CH2-N 3.29Å; W33-R181 VanDerWaalsContact CZ2-CA 3.48Å; W33-R181 HydrophobicContact CZ2-CB 3.66Å; W33-R181 VanDerWaalsContact CZ2-N 3.25Å; W33-R181 HydrophobicContact CZ3-CB 4.13Å; W33-R181 HydrophobicContact CZ3-CG 4.3Å
34Y98.7Very high97.8Very high0 Ų038 Ų380%022%0.217CC..Hα-helixtrans-66.6-46.7176.7172.6-87000111.6K30 V31 S36 V37 L38 F42 L44 L120 T123 A124K30-Y34 PolarHBondContact O-N 2.87Å; V31-Y34 PolarHBondContact O-N 3.2Å; V31-Y34 VanDerWaalsContact O-N 3.14Å; Y34-S36 VanDerWaalsContact C-N 3.34Å; Y34-S36 PolarHBondContact O-N 3.28Å; Y34-V37 WeakPolarHBondContact O-CG2 3.21Å; Y34-V37 PolarHBondContact O-N 2.88Å; Y34-L38 HydrophobicContact CD1-CD1 3.91Å; Y34-L38 HydrophobicContact CD2-CD1 4.12Å; Y34-L38 HydrophobicContact CE1-CD1 3.34Å; Y34-L38 HydrophobicContact CE2-CD1 3.59Å; Y34-L38 HydrophobicContact CG-CD1 4.26Å; Y34-L38 WeakPolarHBondContact OH-CD1 3.42Å; Y34-F42 WeakPolarHBondContact CE1-O 3.39Å; Y34-L44 HydrophobicContact CD1-CD1 3.85Å; Y34-L44 HydrophobicContact CD1-CD2 4.19Å; Y34-L44 HydrophobicContact CD1-CG 3.62Å; Y34-L44 HydrophobicContact CE1-CD1 4.04Å; Y34-L44 HydrophobicContact CE1-CD2 3.54Å; Y34-L44 HydrophobicContact CE1-CG 3.49Å; Y34-L44 VanDerWaalsContact CE1-CG 3.49Å; Y34-L44 HydrophobicContact CG-CD1 4.45Å; Y34-L120 HydrophobicContact CE2-CB 4.33Å; Y34-L120 PolarHBondContact OH-N 2.6Å; Y34-T123 HydrophobicContact CD2-CG2 3.97Å; Y34-T123 HydrophobicContact CE2-CG2 4.1Å; Y34-A124 HydrophobicContact CD2-CB 4.07Å; Y34-A124 HydrophobicContact CE2-CB 4.22Å
35N98.6Very high97.7Very high12 Ų1243.2 Ų43.26%0.06425%0.251CS..Hα-helixtrans-64.8-37.3179.5-74.5-7.9000112V31 V37 L38 H43 L44V31-N35 WeakPolarHBondContact CG1-ND2 3.39Å; V31-N35 PolarHBondContact O-N 3.32Å; N35-V37 PolarHBondContact O-N 3.33Å; N35-V37 VanDerWaalsContact O-N 3.14Å; N35-L38 PolarHBondContact O-N 2.96Å; N35-L38 VanDerWaalsContact O-N 3.15Å; N35-H43 PolarHBondContact O-CD2 3.04Å; N35-H43 PolarHBondContact O-NE2 3.46Å; N35-H43 VanDerWaalsContact OD1-CA 3.26Å; N35-H43 WeakPolarHBondContact OD1-CA 3.42Å; N35-L44 PolarHBondContact ND2-O 3.48Å; N35-L44 VanDerWaalsContact ND2-O 3.11Å; N35-L44 PolarHBondContact OD1-N 3.48Å
36S98.1Very high97.7Very high82 Ų8243.1 Ų43.157%0.57325%0.249SC*.Hα-helixtrans-61.4-23.8-17770.60000114.8G32 W33 Y34G32-S36 WeakPolarHBondContact O-CB 3.23Å; G32-S36 PolarHBondContact O-N 3.12Å; G32-S36 PolarHBondContact O-OG 3.38Å; W33-S36 PolarHBondContact O-OG 3.12Å; Y34-S36 VanDerWaalsContact C-N 3.34Å; Y34-S36 PolarHBondContact O-N 3.28Å
37V97.6Very high97.6Very high70 Ų7045.7 Ų45.742%0.42427%0.267SS..THydrogen-bonded Turntrans-103.86.8-177.7-58.90000113Y34 N35 T123 V127Y34-V37 WeakPolarHBondContact O-CG2 3.21Å; Y34-V37 PolarHBondContact O-N 2.88Å; N35-V37 PolarHBondContact O-N 3.33Å; N35-V37 VanDerWaalsContact O-N 3.14Å; V37-T123 HydrophobicContact CG2-CG2 3.51Å; V37-V127 HydrophobicContact CG2-CG1 3.86Å
38L97.6Very high97.6Very high25 Ų2548.1 Ų48.113%0.13128%0.284CS..SBendtrans-126.7153.2-175.5-69.2178.8000112.1Y34 N35 F42 H43 L120 T123Y34-L38 HydrophobicContact CD1-CD1 3.91Å; Y34-L38 HydrophobicContact CD2-CD1 4.12Å; Y34-L38 HydrophobicContact CE1-CD1 3.34Å; Y34-L38 HydrophobicContact CE2-CD1 3.59Å; Y34-L38 HydrophobicContact CG-CD1 4.26Å; Y34-L38 WeakPolarHBondContact OH-CD1 3.42Å; N35-L38 PolarHBondContact O-N 2.96Å; N35-L38 VanDerWaalsContact O-N 3.15Å; L38-F42 HydrophobicContact CB-CB 4.35Å; L38-F42 HydrophobicContact CD1-CB 4.12Å; L38-H43 PolarHBondContact O-NE2 2.89Å; L38-L120 HydrophobicContact CD1-CD1 4.06Å; L38-L120 HydrophobicContact CD2-CD1 3.56Å; L38-L120 HydrophobicContact CG-CD1 4.46Å; L38-T123 HydrophobicContact CD1-CG2 4.04Å; L38-T123 HydrophobicContact CD2-CG2 4.05Å; L38-T123 HydrophobicContact CG-CG2 4.01Å
39P97.1Very high97.5Very high69 Ų6950.1 Ų50.145%0.44829%0.293SS..  trans-70.8155.1171.431.8-34.9000110.3S41 F42 H43P39-S41 PolarHBondContact O-N 3.43Å; P39-F42 HydrophobicContact CG-CD2 3.84Å; P39-F42 HydrophobicContact CG-CE2 4.5Å; P39-F42 PolarHBondContact O-N 3.34Å; P39-H43 PolarHBondContact O-CD2 3.18Å
40P96.5Very high97.4Very high104 Ų10450.2 Ų50.268%0.67529%0.294SS*.G310 helixtrans-51.6-30.2-174.9-30.836000115.4F42 H43P40-F42 PolarHBondContact O-N 3.28Å; P40-F42 VanDerWaalsContact O-N 3.13Å; P40-H43 WeakPolarHBondContact O-CB 3.1Å; P40-H43 PolarHBondContact O-N 3.19Å; P40-H43 VanDerWaalsContact O-N 3.13Å
41S95.6Very high97.4Very high72 Ų7248.9 Ų48.950%0.50329%0.288SS..G310 helixtrans-67.9-10-179.880.10000115.3P39P39-S41 PolarHBondContact O-N 3.43Å
42F96.6Very high97.4Very high56 Ų5648.9 Ų48.925%0.24629%0.288CS..G310 helixtrans-117.16.5174.8-69.5-69.7000112.8Y34 L38 P39 P40 K116 P117 L120Y34-F42 WeakPolarHBondContact CE1-O 3.39Å; L38-F42 HydrophobicContact CB-CB 4.35Å; L38-F42 HydrophobicContact CD1-CB 4.12Å; P39-F42 HydrophobicContact CG-CD2 3.84Å; P39-F42 HydrophobicContact CG-CE2 4.5Å; P39-F42 PolarHBondContact O-N 3.34Å; P40-F42 PolarHBondContact O-N 3.28Å; P40-F42 VanDerWaalsContact O-N 3.13Å; F42-K116 HydrophobicContact CE1-CB 4.42Å; F42-K116 HydrophobicContact CE1-CD 4.23Å; F42-K116 HydrophobicContact CZ-CD 4.49Å; F42-P117 HydrophobicContact CE1-CG 4.41Å; F42-L120 HydrophobicContact CB-CD1 4.2Å; F42-L120 HydrophobicContact CD1-CD1 4.05Å; F42-L120 HydrophobicContact CD1-CD2 4.18Å; F42-L120 HydrophobicContact CD1-CG 4.01Å; F42-L120 HydrophobicContact CD2-CD1 4.07Å; F42-L120 HydrophobicContact CE1-CD1 4.43Å; F42-L120 HydrophobicContact CE1-CD2 4.07Å; F42-L120 HydrophobicContact CE1-CG 4.39Å; F42-L120 HydrophobicContact CE2-CD1 4.47Å; F42-L120 HydrophobicContact CG-CD1 3.86Å; F42-L120 HydrophobicContact CG-CG 4.29Å
43H98.1Very high97.5Very high78 Ų7848.3 Ų48.336%0.36128%0.282SS..  trans-65.2140.6177.2-72.9-175.6000110.9N35 L38 P39 P40N35-H43 PolarHBondContact O-CD2 3.04Å; N35-H43 PolarHBondContact O-NE2 3.46Å; N35-H43 VanDerWaalsContact OD1-CA 3.26Å; N35-H43 WeakPolarHBondContact OD1-CA 3.42Å; L38-H43 PolarHBondContact O-NE2 2.89Å; P39-H43 PolarHBondContact O-CD2 3.18Å; P40-H43 WeakPolarHBondContact O-CB 3.1Å; P40-H43 PolarHBondContact O-N 3.19Å; P40-H43 VanDerWaalsContact O-N 3.13Å
44L97.8Very high97.5Very high6 Ų646.7 Ų46.73%0.03128%0.276CS..  trans-78.5133.4168.5-45.9-177.2000107.9V31 Y34 N35 Y46 F119 L167 V169V31-L44 HydrophobicContact CG1-CB 3.93Å; V31-L44 HydrophobicContact CG1-CD1 4.32Å; V31-L44 HydrophobicContact CG1-CG 4.49Å; V31-L44 HydrophobicContact CG2-CD1 4.36Å; Y34-L44 HydrophobicContact CD1-CD1 3.85Å; Y34-L44 HydrophobicContact CD1-CD2 4.19Å; Y34-L44 HydrophobicContact CD1-CG 3.62Å; Y34-L44 HydrophobicContact CE1-CD1 4.04Å; Y34-L44 HydrophobicContact CE1-CD2 3.54Å; Y34-L44 HydrophobicContact CE1-CG 3.49Å; Y34-L44 VanDerWaalsContact CE1-CG 3.49Å; Y34-L44 HydrophobicContact CG-CD1 4.45Å; N35-L44 PolarHBondContact ND2-O 3.48Å; N35-L44 VanDerWaalsContact ND2-O 3.11Å; N35-L44 PolarHBondContact OD1-N 3.48Å; L44-Y46 HydrophobicContact CB-CD2 3.89Å; L44-Y46 PolarHBondContact O-N 2.74Å; L44-F119 HydrophobicContact CD2-CB 4.24Å; L44-L167 HydrophobicContact CD1-CD2 3.57Å; L44-V169 HydrophobicContact CD1-CG2 4.45Å
45P96.8Very high97.5Very high111 Ų11146.7 Ų46.772%0.72128%0.276SS*.SBendtrans-81.455.7-17635.5-37.8000111.6
46Y97.6Very high97.5Very high40 Ų4046.2 Ų46.216%0.15727%0.273CS..SBendtrans-131.7159.9178.4-60-72.9000110.9L44 D104 R106 V169 E171L44-Y46 HydrophobicContact CB-CD2 3.89Å; L44-Y46 PolarHBondContact O-N 2.74Å; Y46-D104 VanDerWaalsContact OH-CB 3.25Å; Y46-D104 WeakPolarHBondContact OH-CB 3.37Å; Y46-D104 PolarHBondContact OH-OD2 3.03Å; Y46-R106 PolarHBondContact OH-NH2 3.33Å; Y46-V169 HydrophobicContact CD1-CG1 4.2Å; Y46-V169 HydrophobicContact CD2-CB 4.23Å; Y46-V169 HydrophobicContact CD2-CG1 3.62Å; Y46-V169 HydrophobicContact CD2-CG2 4.17Å; Y46-V169 HydrophobicContact CE1-CG1 4.34Å; Y46-V169 HydrophobicContact CE2-CB 3.84Å; Y46-V169 HydrophobicContact CE2-CG1 3.7Å; Y46-V169 HydrophobicContact CE2-CG2 3.83Å; Y46-V169 HydrophobicContact CG-CG1 3.86Å; Y46-E171 HydrophobicContact CE1-CG 3.82Å
47P96.9Very high97.5Very high76 Ų7642.3 Ų42.349%0.49425%0.246SC..  trans-54.7147.3171.8-26.136.2000112.7D49 A50P47-D49 WeakPolarHBondContact CB-OD1 3.14Å; P47-D49 PolarHBondContact O-N 3.38Å; P47-A50 HydrophobicContact CB-CB 4.5Å; P47-A50 WeakPolarHBondContact O-CB 3.17Å; P47-A50 PolarHBondContact O-N 2.76Å
48D96.9Very high97.6Very high107 Ų10739.5 Ų39.557%0.57223%0.229SC*.THydrogen-bonded Turntrans-62.5-29.5-177.9-79.8-11.2000113.1G32G32-D48 WeakPolarHBondContact CA-OD1 3.21Å; G32-D48 PolarHBondContact N-O 2.85Å
49D96.3Very high97.6Very high71 Ų7138.3 Ų38.338%0.3822%0.223SC..THydrogen-bonded Turntrans-87.70.7177.563.3-17.9000113.5P47 L51 T174 V175P47-D49 WeakPolarHBondContact CB-OD1 3.14Å; P47-D49 PolarHBondContact O-N 3.38Å; D49-L51 PolarHBondContact O-N 2.98Å; D49-T174 CarbonylContact O-C 3.55Å; D49-T174 WeakPolarHBondContact O-CA 3.35Å; D49-V175 VanDerWaalsContact O-CG2 3.26Å; D49-V175 WeakPolarHBondContact O-CG2 3.33Å; D49-V175 PolarHBondContact O-N 2.95Å
50A96.9Very high97.7Very high2 Ų235.4 Ų35.42%0.01721%0.205CC..EExtended strand (participates in β ladder)trans-64.213517400000110.9V31 P47V31-A50 HydrophobicContact CB-CB 4.42Å; V31-A50 HydrophobicContact CG2-CB 3.96Å; V31-A50 PolarHBondContact N-O 3.3Å; V31-A50 VanDerWaalsContact N-O 3.11Å; P47-A50 HydrophobicContact CB-CB 4.5Å; P47-A50 WeakPolarHBondContact O-CB 3.17Å; P47-A50 PolarHBondContact O-N 2.76Å
51L97.8Very high97.8Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-74.8128.3175.3178.262.2000110.2V11 P28 D49 F170 V173 V175 L179V11-L51 HydrophobicContact CB-CD2 3.85Å; V11-L51 HydrophobicContact CG1-CD2 3.99Å; V11-L51 HydrophobicContact CG2-CD2 3.79Å; P28-L51 HydrophobicContact CB-CD1 4.05Å; D49-L51 PolarHBondContact O-N 2.98Å; L51-F170 HydrophobicContact CG-CD2 4.44Å; L51-F170 PolarHBondContact O-N 3.15Å; L51-V173 HydrophobicContact CB-CB 4.26Å; L51-V173 HydrophobicContact CB-CG1 3.93Å; L51-V173 HydrophobicContact CD2-CG1 3.82Å; L51-V173 PolarHBondContact N-O 2.64Å; L51-V175 HydrophobicContact CB-CG1 3.98Å; L51-V175 HydrophobicContact CB-CG2 4.22Å; L51-V175 HydrophobicContact CD1-CG1 4.23Å; L51-V175 HydrophobicContact CD1-CG2 4.45Å; L51-V175 HydrophobicContact CD2-CG1 4.38Å; L51-V175 HydrophobicContact CG-CG1 4.42Å; L51-L179 HydrophobicContact CD1-CD2 4.13Å
52A98.4Very high97.9Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-122.5156.8165.300000111.1P28 L29 V31 L167 L168 V169P28-A52 CarbonylContact C-O 3.55Å; P28-A52 WeakPolarHBondContact CA-O 3.35Å; L29-A52 HydrophobicContact CD1-CB 3.8Å; L29-A52 HydrophobicContact CG-CB 3.99Å; L29-A52 PolarHBondContact N-O 3.48Å; L29-A52 PolarHBondContact O-N 3.42Å; V31-A52 HydrophobicContact CG2-CB 4.21Å; A52-L167 HydrophobicContact CB-CD1 4.03Å; A52-L168 CarbonylContact C-O 3.48Å; A52-L168 WeakPolarHBondContact CA-O 3.45Å; A52-L168 WeakPolarHBondContact CB-O 3.48Å; A52-V169 HydrophobicContact CB-CG2 4.15Å
53V98.6Very high98Very high0 Ų027.6 Ų27.60%015%0.152CC..EExtended strand (participates in β ladder)trans-132.1123177.9-178.30000108.7V11 I12 L15 V26 Y27 L167 L168 F170V11-V53 HydrophobicContact CG1-CG2 4.03Å; I12-V53 HydrophobicContact CD1-CG1 3.95Å; I12-V53 HydrophobicContact CD1-CG2 3.75Å; L15-V53 HydrophobicContact CD1-CB 4.31Å; L15-V53 HydrophobicContact CD1-CG1 4.03Å; L15-V53 HydrophobicContact CD1-CG2 4.21Å; V26-V53 HydrophobicContact CB-CG1 3.79Å; V26-V53 HydrophobicContact CG1-CG1 4.5Å; Y27-V53 WeakPolarHBondContact O-CA 3.4Å; V53-L167 WeakPolarHBondContact O-CA 3.26Å; V53-L168 HydrophobicContact CB-CB 4.44Å; V53-L168 PolarHBondContact N-O 3.14Å; V53-L168 WeakPolarHBondContact O-CD1 2.99Å; V53-L168 PolarHBondContact O-N 2.79Å; V53-F170 HydrophobicContact CB-CE2 4.36Å; V53-F170 HydrophobicContact CG2-CD2 4.38Å; V53-F170 HydrophobicContact CG2-CE2 3.79Å
54V98.7Very high98Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-88.4138170.968.50000109.6V26 Y27 L29 L56 A124 S128 I164 A166 L167V26-V54 WeakPolarHBondContact CA-O 3.43Å; Y27-V54 HydrophobicContact CD2-CG1 4.49Å; Y27-V54 PolarHBondContact N-O 3.11Å; Y27-V54 PolarHBondContact O-N 2.9Å; L29-V54 HydrophobicContact CD2-CB 4.32Å; V54-L56 HydrophobicContact CG1-CD1 3.95Å; V54-L56 HydrophobicContact CG2-CD1 4.22Å; V54-A124 HydrophobicContact CG2-CB 4.28Å; V54-S128 WeakPolarHBondContact CG1-OG 3.28Å; V54-I164 HydrophobicContact CG2-CG2 3.69Å; V54-A166 WeakPolarHBondContact CA-O 3.46Å; V54-L167 HydrophobicContact CB-CD1 4.39Å
55V98.8Very high98Very high0 Ų028.2 Ų28.20%016%0.156CC..EExtended strand (participates in β ladder)trans-114.2129.5178.6-177.90000109.5L19 F24 E25 V26 V90 R165 A166 L168L19-V55 HydrophobicContact CD1-CG1 4.4Å; L19-V55 HydrophobicContact CD1-CG2 4.41Å; F24-V55 HydrophobicContact CB-CG1 4.18Å; F24-V55 HydrophobicContact CD1-CG1 3.76Å; F24-V55 HydrophobicContact CG-CG1 4.29Å; E25-V55 WeakPolarHBondContact O-CA 3.14Å; V26-V55 HydrophobicContact CG1-CG2 4.07Å; V55-V90 HydrophobicContact CG1-CG2 4.46Å; V55-R165 PolarHBondContact O-N 3.36Å; V55-A166 HydrophobicContact CB-CB 4.3Å; V55-A166 PolarHBondContact N-O 3.3Å; V55-A166 PolarHBondContact O-N 3.44Å; V55-L168 HydrophobicContact CB-CD1 4.41Å; V55-L168 HydrophobicContact CG2-CD1 3.24Å
56L98.7Very high98.1Very high1 Ų123 Ų231%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-115.4146.3177.4-61.470.9000108.4F24 E25 Y27 V54 A130 F162 A163 I164F24-L56 CarbonylContact C-O 3.41Å; F24-L56 WeakPolarHBondContact CA-O 3.43Å; F24-L56 WeakPolarHBondContact CB-O 3.46Å; F24-L56 WeakPolarHBondContact CD1-O 3.28Å; E25-L56 PolarHBondContact N-O 2.83Å; E25-L56 PolarHBondContact O-N 2.9Å; Y27-L56 HydrophobicContact CD2-CD1 3.5Å; Y27-L56 HydrophobicContact CE2-CD1 3.77Å; Y27-L56 HydrophobicContact CE2-CD2 4.15Å; V54-L56 HydrophobicContact CG1-CD1 3.95Å; V54-L56 HydrophobicContact CG2-CD1 4.22Å; L56-A130 HydrophobicContact CD1-CB 4.04Å; L56-A130 HydrophobicContact CD2-CB 3.87Å; L56-F162 HydrophobicContact CB-CD2 4.26Å; L56-F162 HydrophobicContact CD2-CD2 3.64Å; L56-F162 HydrophobicContact CD2-CE2 3.56Å; L56-F162 HydrophobicContact CG-CD2 4.21Å; L56-F162 HydrophobicContact CG-CE2 4.28Å; L56-A163 CarbonylContact C-O 3.58Å; L56-A163 VanDerWaalsContact CA-O 3.27Å; L56-A163 WeakPolarHBondContact CA-O 3.15Å; L56-I164 HydrophobicContact CG-CG1 4.49Å
57S98.8Very high98Very high1 Ų122.1 Ų22.11%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-99.7128.3164.564.70000110M61 F162 A163 R165S57-M61 VanDerWaalsContact CB-CE 3.47Å; S57-F162 VanDerWaalsContact O-CA 3.3Å; S57-F162 WeakPolarHBondContact O-CA 3.28Å; S57-F162 WeakPolarHBondContact O-CB 3.27Å; S57-A163 PolarHBondContact N-O 2.87Å; S57-A163 PolarHBondContact O-N 3.07Å; S57-R165 PolarHBondContact OG-NE 3.11Å; S57-R165 PolarHBondContact OG-NH2 2.9Å
58T98.6Very high97.9Very high10 Ų1020.7 Ų20.76%0.06111%0.111CC..  trans-81.2174169.673.50000110.3G23 E25 A60 M61 F158G23-T58 WeakPolarHBondContact O-CB 3.49Å; G23-T58 WeakPolarHBondContact O-CG2 3.44Å; G23-T58 PolarHBondContact O-N 3.46Å; G23-T58 PolarHBondContact O-OG1 3Å; E25-T58 HydrophobicContact CG-CG2 3.83Å; T58-A60 PolarHBondContact O-N 3.15Å; T58-A60 PolarHBondContact OG1-N 2.89Å; T58-M61 WeakPolarHBondContact O-CB 3.45Å; T58-M61 PolarHBondContact O-N 2.89Å; T58-F158 HydrophobicContact CG2-CD2 4.21Å; T58-F158 HydrophobicContact CG2-CE2 3.45Å; T58-F158 VanDerWaalsContact CG2-CE2 3.45Å; T58-F158 HydrophobicContact CG2-CZ 3.75Å
59P98.6Very high97.9Very high1 Ų116.5 Ų16.51%0.0069%0.087CC..THydrogen-bonded Turntrans-51.1-44.4172.6-29.338.7000112.7M61 F62 F158 W161 Q218 T219 Y220 Q224P59-M61 PolarHBondContact O-N 3.27Å; P59-F62 PolarHBondContact O-N 3.25Å; P59-F62 VanDerWaalsContact O-N 3.16Å; P59-F158 HydrophobicContact CG-CD1 4.28Å; P59-W161 WeakPolarHBondContact CD-O 3.16Å; P59-W161 HydrophobicContact CG-CB 4.13Å; P59-W161 VanDerWaalsContact CG-O 3.25Å; P59-W161 WeakPolarHBondContact CG-O 3.17Å; P59-Q218 HydrophobicContact CB-CB 4.45Å; P59-Q218 HydrophobicContact CB-CG 3.83Å; P59-Q218 HydrophobicContact CG-CB 4.15Å; P59-Q218 HydrophobicContact CG-CG 4.06Å; P59-T219 WeakPolarHBondContact CB-O 3.3Å; P59-Y220 HydrophobicContact CB-CD1 3.75Å; P59-Y220 HydrophobicContact CB-CE1 4.18Å; P59-Y220 HydrophobicContact CG-CD1 3.89Å; P59-Y220 HydrophobicContact CG-CE1 4.06Å; P59-Q224 PolarHBondContact O-NE2 3.07Å; P59-Q224 VanDerWaalsContact O-NE2 3.17Å; P59-Q224 PolarHBondContact O-OE1 3.32Å
60A98.5Very high97.8Very high8 Ų813.4 Ų13.47%0.0667%0.071CC..THydrogen-bonded Turntrans-59.9-19.7-175.900000114.7T58 F62 E63 Q64T58-A60 PolarHBondContact O-N 3.15Å; T58-A60 PolarHBondContact OG1-N 2.89Å; A60-F62 PolarHBondContact O-N 3.21Å; A60-E63 PolarHBondContact O-N 3.14Å; A60-Q64 HydrophobicContact CB-CG 4.39Å; A60-Q64 VanDerWaalsContact O-CB 3.22Å; A60-Q64 WeakPolarHBondContact O-CB 3.23Å; A60-Q64 VanDerWaalsContact O-CG 3.29Å; A60-Q64 WeakPolarHBondContact O-CG 3.33Å; A60-Q64 PolarHBondContact O-N 2.88Å
61M98.6Very high97.4Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-58.1-32.9177.3-177.1-84.6-72.900112.1L22 F24 S57 T58 P59 A65 F66 I82 V86L22-M61 WeakPolarHBondContact O-CA 3.48Å; F24-M61 HydrophobicContact CD1-CG 4.37Å; F24-M61 HydrophobicContact CD2-CG 4.24Å; F24-M61 HydrophobicContact CE1-CG 3.79Å; F24-M61 HydrophobicContact CE2-CG 3.63Å; F24-M61 HydrophobicContact CZ-CG 3.38Å; F24-M61 HydrophobicContact CZ-SD 4.17Å; S57-M61 VanDerWaalsContact CB-CE 3.47Å; T58-M61 WeakPolarHBondContact O-CB 3.45Å; T58-M61 PolarHBondContact O-N 2.89Å; P59-M61 PolarHBondContact O-N 3.27Å; M61-A65 HydrophobicContact CG-CB 4.03Å; M61-A65 WeakPolarHBondContact O-CA 3.2Å; M61-A65 VanDerWaalsContact O-CB 3.27Å; M61-A65 WeakPolarHBondContact O-CB 3.37Å; M61-A65 PolarHBondContact O-N 3.14Å; M61-A65 HydrophobicContact SD-CB 4.34Å; M61-F66 PolarHBondContact O-N 3Å; M61-F66 HydrophobicContact SD-CB 4.29Å; M61-I82 HydrophobicContact CE-CD1 4Å; M61-I82 HydrophobicContact CE-CG1 4.19Å; M61-I82 HydrophobicContact SD-CD1 4.22Å; M61-V86 HydrophobicContact CE-CG2 4.27Å
62F98.6Very high96.7Very high0 Ų027.1 Ų27.10%013%0.134CC..Iπ-helixtrans-63.4-51.1-179.1-169.8-94.9000111.3P59 A60 F66 L67 R223 Q224 Y227 F228 W242P59-F62 PolarHBondContact O-N 3.25Å; P59-F62 VanDerWaalsContact O-N 3.16Å; A60-F62 PolarHBondContact O-N 3.21Å; F62-F66 HydrophobicContact CD2-CB 4.46Å; F62-F66 AromaticContact CD2-CD1 3.56Å; F62-F66 HydrophobicContact CD2-CD1 3.56Å; F62-F66 HydrophobicContact CD2-CE1 4.22Å; F62-F66 HydrophobicContact CD2-CG 4.35Å; F62-F66 AromaticContact CE2-CD1 3.33Å; F62-F66 HydrophobicContact CE2-CD1 3.33Å; F62-F66 AromaticContact CE2-CE1 3.55Å; F62-F66 HydrophobicContact CE2-CE1 3.55Å; F62-F66 HydrophobicContact CE2-CG 4.47Å; F62-F66 HydrophobicContact CG-CD1 4.27Å; F62-F66 AromaticContact CZ-CD1 3.87Å; F62-F66 HydrophobicContact CZ-CD1 3.87Å; F62-F66 AromaticContact CZ-CE1 3.98Å; F62-F66 HydrophobicContact CZ-CE1 3.98Å; F62-F66 WeakPolarHBondContact O-CB 3.48Å; F62-F66 PolarHBondContact O-N 3.01Å; F62-L67 HydrophobicContact CD1-CD2 4.43Å; F62-L67 HydrophobicContact CD1-CG 4.33Å; F62-L67 HydrophobicContact CE1-CD1 4.48Å; F62-L67 HydrophobicContact CE1-CD2 3.89Å; F62-L67 HydrophobicContact CE1-CG 4.26Å; F62-L67 HydrophobicContact CZ-CD2 4.3Å; F62-L67 WeakPolarHBondContact O-CG 3.38Å; F62-L67 PolarHBondContact O-N 3.48Å; F62-R223 HydrophobicContact CE1-CG 4.12Å; F62-Q224 HydrophobicContact CB-CB 4.22Å; F62-Q224 VanDerWaalsContact CB-CD 3.43Å; F62-Q224 HydrophobicContact CB-CG 3.79Å; F62-Q224 HydrophobicContact CD1-CB 3.73Å; F62-Q224 HydrophobicContact CD1-CG 4.14Å; F62-Q224 HydrophobicContact CD2-CB 4.1Å; F62-Q224 HydrophobicContact CD2-CG 3.69Å; F62-Q224 HydrophobicContact CE1-CB 4.04Å; F62-Q224 HydrophobicContact CE2-CB 4.37Å; F62-Q224 HydrophobicContact CE2-CG 4.26Å; F62-Q224 HydrophobicContact CG-CB 3.76Å; F62-Q224 HydrophobicContact CG-CG 3.61Å; F62-Q224 HydrophobicContact CZ-CB 4.35Å; F62-Y227 AromaticContact CE2-CD1 3.81Å; F62-Y227 HydrophobicContact CE2-CD1 3.81Å; F62-Y227 HydrophobicContact CE2-CD2 4.28Å; F62-Y227 AromaticContact CE2-CG 3.67Å; F62-Y227 HydrophobicContact CE2-CG 3.67Å; F62-Y227 HydrophobicContact CZ-CD2 4.46Å; F62-Y227 HydrophobicContact CZ-CG 4.06Å; F62-F228 HydrophobicContact CD2-CE2 4.48Å; F62-W242 HydrophobicContact CZ-CH2 4.07Å; F62-W242 AromaticContact CZ-CZ3 3.95Å; F62-W242 HydrophobicContact CZ-CZ3 3.95Å
63E97.9Very high95.9Very high68 Ų6828.8 Ų28.832%0.31815%0.146SC..Iπ-helixtrans-77.8-35179.7-64.677.6-169.800113.1A60 L67 P68 S221A60-E63 PolarHBondContact O-N 3.14Å; E63-L67 HydrophobicContact CG-CD1 4.34Å; E63-P68 VanDerWaalsContact O-CD 3.28Å; E63-P68 WeakPolarHBondContact O-CD 3.25Å; E63-S221 VanDerWaalsContact OE1-CB 3.31Å; E63-S221 WeakPolarHBondContact OE1-CB 3.19Å; E63-S221 PolarHBondContact OE1-OG 2.85Å
64Q98.1Very high95.1Very high92 Ų9232.9 Ų32.943%0.4318%0.175SC..Iπ-helixtrans-87.6-24.8-173.1-64.3178-1.300114K21 G23 A60K21-Q64 PolarHBondContact O-OE1 3.18Å; K21-Q64 VanDerWaalsContact O-OE1 3.14Å; G23-Q64 VanDerWaalsContact N-OE1 3.13Å; A60-Q64 HydrophobicContact CB-CG 4.39Å; A60-Q64 VanDerWaalsContact O-CB 3.22Å; A60-Q64 WeakPolarHBondContact O-CB 3.23Å; A60-Q64 VanDerWaalsContact O-CG 3.29Å; A60-Q64 WeakPolarHBondContact O-CG 3.33Å; A60-Q64 PolarHBondContact O-N 2.88Å
65A98.1Very high94.5Very high5 Ų534.3 Ų34.34%0.04118%0.182CC..Iπ-helixtrans-121-51.3-178.200000112L22 F24 M61 F69L22-A65 HydrophobicContact CB-CB 4.05Å; F24-A65 HydrophobicContact CE2-CB 4.1Å; M61-A65 HydrophobicContact CG-CB 4.03Å; M61-A65 WeakPolarHBondContact O-CA 3.2Å; M61-A65 VanDerWaalsContact O-CB 3.27Å; M61-A65 WeakPolarHBondContact O-CB 3.37Å; M61-A65 PolarHBondContact O-N 3.14Å; M61-A65 HydrophobicContact SD-CB 4.34Å; A65-F69 WeakPolarHBondContact O-CB 3.32Å; A65-F69 PolarHBondContact O-N 3.22Å
66F98.2Very high93.8Very high0 Ų039.9 Ų39.90%021%0.208CC..Iπ-helixtrans-71.3-47.9-170.6177.5-116.8000113.3M61 F62 F69 L70 P81 I82 C85 Y227 L239M61-F66 PolarHBondContact O-N 3Å; M61-F66 HydrophobicContact SD-CB 4.29Å; F62-F66 HydrophobicContact CD2-CB 4.46Å; F62-F66 AromaticContact CD2-CD1 3.56Å; F62-F66 HydrophobicContact CD2-CD1 3.56Å; F62-F66 HydrophobicContact CD2-CE1 4.22Å; F62-F66 HydrophobicContact CD2-CG 4.35Å; F62-F66 AromaticContact CE2-CD1 3.33Å; F62-F66 HydrophobicContact CE2-CD1 3.33Å; F62-F66 AromaticContact CE2-CE1 3.55Å; F62-F66 HydrophobicContact CE2-CE1 3.55Å; F62-F66 HydrophobicContact CE2-CG 4.47Å; F62-F66 HydrophobicContact CG-CD1 4.27Å; F62-F66 AromaticContact CZ-CD1 3.87Å; F62-F66 HydrophobicContact CZ-CD1 3.87Å; F62-F66 AromaticContact CZ-CE1 3.98Å; F62-F66 HydrophobicContact CZ-CE1 3.98Å; F62-F66 WeakPolarHBondContact O-CB 3.48Å; F62-F66 PolarHBondContact O-N 3.01Å; F66-F69 WeakPolarHBondContact O-CB 3.38Å; F66-F69 PolarHBondContact O-N 3.42Å; F66-L70 HydrophobicContact CD1-CD1 4.23Å; F66-L70 HydrophobicContact CD2-CG 4.41Å; F66-L70 HydrophobicContact CE1-CD1 3.73Å; F66-L70 HydrophobicContact CE2-CD1 4.09Å; F66-L70 HydrophobicContact CE2-CD2 3.96Å; F66-L70 HydrophobicContact CE2-CG 4.02Å; F66-L70 HydrophobicContact CZ-CD1 3.65Å; F66-L70 HydrophobicContact CZ-CD2 4.09Å; F66-L70 HydrophobicContact CZ-CG 4.09Å; F66-L70 WeakPolarHBondContact O-CG 3.1Å; F66-L70 PolarHBondContact O-N 2.99Å; F66-L70 VanDerWaalsContact O-N 3.12Å; F66-P81 HydrophobicContact CE2-CB 3.72Å; F66-P81 HydrophobicContact CZ-CB 3.95Å; F66-I82 HydrophobicContact CB-CD1 3.82Å; F66-I82 HydrophobicContact CD1-CD1 3.92Å; F66-I82 HydrophobicContact CD2-CD1 3.48Å; F66-I82 VanDerWaalsContact CD2-CD1 3.48Å; F66-I82 HydrophobicContact CE1-CD1 4.33Å; F66-I82 HydrophobicContact CE2-CD1 3.95Å; F66-I82 HydrophobicContact CG-CD1 3.45Å; F66-I82 VanDerWaalsContact CG-CD1 3.45Å; F66-I82 HydrophobicContact CZ-CD1 4.34Å; F66-C85 VanDerWaalsContact CA-SG 3.55Å; F66-C85 HydrophobicContact CD2-CB 3.79Å; F66-Y227 HydrophobicContact CE1-CD2 4.03Å; F66-Y227 HydrophobicContact CE1-CE1 4.29Å; F66-Y227 AromaticContact CE1-CE2 3.68Å; F66-Y227 HydrophobicContact CE1-CE2 3.68Å; F66-Y227 HydrophobicContact CE1-CG 4.47Å; F66-Y227 AromaticContact CE1-CZ 3.8Å; F66-Y227 HydrophobicContact CZ-CD2 4.35Å; F66-Y227 HydrophobicContact CZ-CE1 4.27Å; F66-Y227 AromaticContact CZ-CE2 3.54Å; F66-Y227 HydrophobicContact CZ-CE2 3.54Å; F66-Y227 AromaticContact CZ-CZ 3.48Å; F66-Y227 VanDerWaalsContact CZ-CZ 3.48Å; F66-Y227 WeakPolarHBondContact CZ-OH 3.42Å; F66-L239 HydrophobicContact CE1-CD2 4.23Å; F66-L239 HydrophobicContact CZ-CD1 4.22Å; F66-L239 HydrophobicContact CZ-CD2 4.26Å
67L96.1Very high92.9Very high22 Ų2246.2 Ų46.212%0.11524%0.235CC..Hα-helixtrans-61.4-48.3177.6-59.6-177000112.2F62 E63 F69 L70 E71 L244F62-L67 HydrophobicContact CD1-CD2 4.43Å; F62-L67 HydrophobicContact CD1-CG 4.33Å; F62-L67 HydrophobicContact CE1-CD1 4.48Å; F62-L67 HydrophobicContact CE1-CD2 3.89Å; F62-L67 HydrophobicContact CE1-CG 4.26Å; F62-L67 HydrophobicContact CZ-CD2 4.3Å; F62-L67 WeakPolarHBondContact O-CG 3.38Å; F62-L67 PolarHBondContact O-N 3.48Å; E63-L67 HydrophobicContact CG-CD1 4.34Å; L67-F69 VanDerWaalsContact C-N 3.29Å; L67-F69 PolarHBondContact O-N 2.97Å; L67-L70 HydrophobicContact CD2-CD1 4.42Å; L67-L70 WeakPolarHBondContact O-CB 3.34Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-L70 VanDerWaalsContact O-N 3.17Å; L67-E71 PolarHBondContact O-N 2.78Å; L67-L244 HydrophobicContact CD2-CD1 3.68Å
68P95.8Very high92.1Very high47 Ų4752.6 Ų52.631%0.30528%0.277SS..Hα-helixtrans-61.1-35.4174.5-2636000113.4E63 L70 E71 H72E63-P68 VanDerWaalsContact O-CD 3.28Å; E63-P68 WeakPolarHBondContact O-CD 3.25Å; P68-L70 VanDerWaalsContact C-N 3.3Å; P68-L70 PolarHBondContact O-N 2.68Å; P68-E71 PolarHBondContact O-N 3.29Å; P68-H72 PolarHBondContact O-N 3.12Å; P68-H72 PolarHBondContact O-ND1 3.18Å
69F95.8Very high91.5Very high18 Ų1854.3 Ų54.38%0.07929%0.289CS..Hα-helixtrans-60.3-40.8176.4172.1-98.3000111.8A65 F66 L67 E71 H72 S73 I75 Q84 C85 H88A65-F69 WeakPolarHBondContact O-CB 3.32Å; A65-F69 PolarHBondContact O-N 3.22Å; F66-F69 WeakPolarHBondContact O-CB 3.38Å; F66-F69 PolarHBondContact O-N 3.42Å; L67-F69 VanDerWaalsContact C-N 3.29Å; L67-F69 PolarHBondContact O-N 2.97Å; F69-E71 VanDerWaalsContact C-N 3.3Å; F69-E71 PolarHBondContact O-N 3.31Å; F69-H72 PolarHBondContact O-N 3.1Å; F69-S73 WeakPolarHBondContact CD2-OG 3.39Å; F69-S73 VanDerWaalsContact CE2-OG 3.28Å; F69-S73 WeakPolarHBondContact CE2-OG 3.46Å; F69-S73 WeakPolarHBondContact O-CB 3.49Å; F69-S73 PolarHBondContact O-N 3.17Å; F69-S73 PolarHBondContact O-OG 3.05Å; F69-S73 VanDerWaalsContact O-OG 3.14Å; F69-I75 HydrophobicContact CD1-CD1 4.4Å; F69-I75 HydrophobicContact CE1-CD1 3.64Å; F69-I75 HydrophobicContact CZ-CD1 4.47Å; F69-Q84 HydrophobicContact CE1-CB 3.99Å; F69-Q84 HydrophobicContact CZ-CB 3.84Å; F69-C85 HydrophobicContact CB-CB 4.15Å; F69-C85 HydrophobicContact CD1-CB 3.55Å; F69-C85 HydrophobicContact CD2-CB 4.37Å; F69-C85 HydrophobicContact CE1-CB 3.99Å; F69-C85 HydrophobicContact CG-CB 3.76Å; F69-H88 HydrophobicContact CD2-CB 4.12Å; F69-H88 HydrophobicContact CE2-CB 3.67Å; F69-H88 AromaticContact CE2-CG 3.89Å
70L93.9Very high91.3Very high7 Ų755.2 Ų55.24%0.03729%0.294CS..Hα-helixtrans-65.1-31.8178.3-66.9173.3000113.4F66 L67 P68 I75 P81 L239 L244F66-L70 HydrophobicContact CD1-CD1 4.23Å; F66-L70 HydrophobicContact CD2-CG 4.41Å; F66-L70 HydrophobicContact CE1-CD1 3.73Å; F66-L70 HydrophobicContact CE2-CD1 4.09Å; F66-L70 HydrophobicContact CE2-CD2 3.96Å; F66-L70 HydrophobicContact CE2-CG 4.02Å; F66-L70 HydrophobicContact CZ-CD1 3.65Å; F66-L70 HydrophobicContact CZ-CD2 4.09Å; F66-L70 HydrophobicContact CZ-CG 4.09Å; F66-L70 WeakPolarHBondContact O-CG 3.1Å; F66-L70 PolarHBondContact O-N 2.99Å; F66-L70 VanDerWaalsContact O-N 3.12Å; L67-L70 HydrophobicContact CD2-CD1 4.42Å; L67-L70 WeakPolarHBondContact O-CB 3.34Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-L70 VanDerWaalsContact O-N 3.17Å; P68-L70 VanDerWaalsContact C-N 3.3Å; P68-L70 PolarHBondContact O-N 2.68Å; L70-I75 HydrophobicContact CD2-CD1 3.79Å; L70-I75 HydrophobicContact CD2-CG1 4.03Å; L70-P81 HydrophobicContact CD2-CB 4.39Å; L70-L239 HydrophobicContact CD1-CD1 4.09Å; L70-L239 HydrophobicContact CD1-CD2 3.6Å; L70-L239 HydrophobicContact CD1-CG 4.41Å; L70-L239 HydrophobicContact CD2-CD1 3.86Å; L70-L244 HydrophobicContact CD1-CB 4.28Å; L70-L244 HydrophobicContact CD1-CD1 3.6Å
71E88.6Confident91.1Very high137 Ų13755 Ų5564%0.6429%0.292SS*.Hα-helixtrans-71.8-31.7179.2-67.4173.7175.700112.6L67 P68 F69L67-E71 PolarHBondContact O-N 2.78Å; P68-E71 PolarHBondContact O-N 3.29Å; F69-E71 VanDerWaalsContact C-N 3.3Å; F69-E71 PolarHBondContact O-N 3.31Å
72H83.9Confident91.1Very high152 Ų15255.2 Ų55.270%0.70429%0.293SS*.Hα-helixtrans-109.6-9.8-170.2-6087.2000113.9P68 F69P68-H72 PolarHBondContact O-N 3.12Å; P68-H72 PolarHBondContact O-ND1 3.18Å; F69-H72 PolarHBondContact O-N 3.1Å
73S81.6Confident91Very high35 Ų3556.7 Ų56.725%0.24530%0.301CS..SBendtrans-125.4144-171.9-510000112.2F69F69-S73 WeakPolarHBondContact CD2-OG 3.39Å; F69-S73 VanDerWaalsContact CE2-OG 3.28Å; F69-S73 WeakPolarHBondContact CE2-OG 3.46Å; F69-S73 WeakPolarHBondContact O-CB 3.49Å; F69-S73 PolarHBondContact O-N 3.17Å; F69-S73 PolarHBondContact O-OG 3.05Å; F69-S73 VanDerWaalsContact O-OG 3.14Å
74S81.6Confident90.9Very high87 Ų8754.3 Ų54.361%0.60829%0.29SS*.  trans-82.5129.7169.4560000110.5Q76S74-Q76 PolarHBondContact O-N 2.85Å; S74-Q76 PolarHBondContact OG-NE2 2.88Å
75I85.3Confident90.9Very high30 Ų3049.9 Ų49.915%0.15427%0.269CS..  trans-76.8118176.8-63.7-53.9000110.3F69 L70 P81 L236 L245F69-I75 HydrophobicContact CD1-CD1 4.4Å; F69-I75 HydrophobicContact CE1-CD1 3.64Å; F69-I75 HydrophobicContact CZ-CD1 4.47Å; L70-I75 HydrophobicContact CD2-CD1 3.79Å; L70-I75 HydrophobicContact CD2-CG1 4.03Å; I75-P81 HydrophobicContact CD1-CB 3.9Å; I75-P81 HydrophobicContact CG1-CB 4.44Å; I75-P81 HydrophobicContact CG2-CG 4.07Å; I75-L236 HydrophobicContact CG2-CD2 3.76Å; I75-L245 HydrophobicContact CG1-CD2 4.03Å
76Q83.6Confident90.9Very high116 Ų11649.7 Ų49.754%0.54227%0.268SS..  trans-90.5113.6179.6-58.5-60-34.400110.7S74 S79 Q84S74-Q76 PolarHBondContact O-N 2.85Å; S74-Q76 PolarHBondContact OG-NE2 2.88Å; Q76-S79 PolarHBondContact O-N 2.87Å; Q76-Q84 PolarHBondContact O-NE2 3.45Å
77K81.7Confident90.9Very high134 Ų13454 Ų5458%0.58328%0.284SS*.THydrogen-bonded Turntrans-70.8146.6171.4-68.7179.6-177.9174.10109.5L236 E248K77-L236 HydrophobicContact CD-CD1 4.27Å; K77-L236 HydrophobicContact CG-CD1 4.14Å; K77-E248 IonicContact NZ-OE1 2.75Å
78P81.8Confident90.9Very high135 Ų13557.6 Ų57.688%0.87730%0.3SS*.THydrogen-bonded Turncis-96.713.39.138.1-36.4000114.9
79S85.9Confident91.1Very high46 Ų4655.9 Ų55.932%0.32229%0.289SS..SBendtrans-74.9146.4-173.9-63.90000112.3Q76 Q84Q76-S79 PolarHBondContact O-N 2.87Å; S79-Q84 PolarHBondContact O-NE2 2.86Å
80D93.3Very high91.2Very high21 Ų2155 Ų5511%0.11229%0.285CS..  trans-63.7139.3174.3-166.2-86.2000110.9I82 D83 Q84 Y227 R235D80-I82 VanDerWaalsContact C-N 3.26Å; D80-I82 PolarHBondContact O-N 2.81Å; D80-I82 WeakPolarHBondContact OD1-CG2 3.4Å; D80-I82 PolarHBondContact OD1-N 2.86Å; D80-D83 HydrophobicContact CB-CB 4.31Å; D80-D83 PolarHBondContact O-N 3.42Å; D80-Q84 WeakPolarHBondContact O-CG 3.41Å; D80-Q84 PolarHBondContact O-N 3.22Å; D80-Q84 VanDerWaalsContact O-N 3.14Å; D80-Y227 PolarHBondContact OD1-OH 3.42Å; D80-R235 IonicContact OD1-NH1 2.76Å; D80-R235 PolarHBondContact OD1-NH1 3.28Å; D80-R235 VanDerWaalsContact OD2-CD 3.29Å; D80-R235 WeakPolarHBondContact OD2-CD 3.24Å; D80-R235 IonicContact OD2-CZ 3Å; D80-R235 IonicContact OD2-NE 3.36Å; D80-R235 IonicContact OD2-NH1 2.67Å; D80-R235 PolarHBondContact OD2-NH1 3.48Å
81P95.3Very high91.3Very high3 Ų357.2 Ų57.22%0.01930%0.301CS..Hα-helixtrans-58-35.6179.6-25.333.8000113.8F66 L70 I75 D83 Q84 C85 L236 L239F66-P81 HydrophobicContact CE2-CB 3.72Å; F66-P81 HydrophobicContact CZ-CB 3.95Å; L70-P81 HydrophobicContact CD2-CB 4.39Å; I75-P81 HydrophobicContact CD1-CB 3.9Å; I75-P81 HydrophobicContact CG1-CB 4.44Å; I75-P81 HydrophobicContact CG2-CG 4.07Å; P81-D83 VanDerWaalsContact C-N 3.33Å; P81-Q84 PolarHBondContact O-N 2.89Å; P81-C85 PolarHBondContact O-N 2.72Å; P81-L236 HydrophobicContact CG-CD2 3.58Å; P81-L239 HydrophobicContact CB-CD1 4.08Å; P81-L239 HydrophobicContact CG-CD1 3.92Å
82I97.2Very high91.7Very high4 Ų452.6 Ų52.62%0.02128%0.282CS..Hα-helixtrans-67.6-38.5-179.9-153.565.3000110.7M61 F66 D80 Q84 C85 V86 Y227 F228M61-I82 HydrophobicContact CE-CD1 4Å; M61-I82 HydrophobicContact CE-CG1 4.19Å; M61-I82 HydrophobicContact SD-CD1 4.22Å; F66-I82 HydrophobicContact CB-CD1 3.82Å; F66-I82 HydrophobicContact CD1-CD1 3.92Å; F66-I82 HydrophobicContact CD2-CD1 3.48Å; F66-I82 VanDerWaalsContact CD2-CD1 3.48Å; F66-I82 HydrophobicContact CE1-CD1 4.33Å; F66-I82 HydrophobicContact CE2-CD1 3.95Å; F66-I82 HydrophobicContact CG-CD1 3.45Å; F66-I82 VanDerWaalsContact CG-CD1 3.45Å; F66-I82 HydrophobicContact CZ-CD1 4.34Å; D80-I82 VanDerWaalsContact C-N 3.26Å; D80-I82 PolarHBondContact O-N 2.81Å; D80-I82 WeakPolarHBondContact OD1-CG2 3.4Å; D80-I82 PolarHBondContact OD1-N 2.86Å; I82-Q84 VanDerWaalsContact C-N 3.31Å; I82-Q84 PolarHBondContact O-N 2.89Å; I82-C85 PolarHBondContact O-N 3.41Å; I82-V86 VanDerWaalsContact O-CG2 3.31Å; I82-V86 WeakPolarHBondContact O-CG2 3.39Å; I82-V86 PolarHBondContact O-N 2.99Å; I82-Y227 HydrophobicContact CB-CE1 4.16Å; I82-Y227 HydrophobicContact CD1-CE1 4.46Å; I82-Y227 PolarHBondContact N-OH 2.85Å; I82-F228 HydrophobicContact CD1-CZ 4.37Å; I82-F228 HydrophobicContact CG1-CE1 4.19Å; I82-F228 HydrophobicContact CG1-CZ 4.23Å
83D96.8Very high92.4Very high31 Ų3145.5 Ų45.517%0.16625%0.25CC..Hα-helixtrans-67.1-36.2179.2-64.7-15.6000110.9D80 P81 R87 Y109D80-D83 HydrophobicContact CB-CB 4.31Å; D80-D83 PolarHBondContact O-N 3.42Å; P81-D83 VanDerWaalsContact C-N 3.33Å; D83-R87 VanDerWaalsContact O-CB 3.24Å; D83-R87 WeakPolarHBondContact O-CB 3.12Å; D83-R87 PolarHBondContact O-N 3.4Å; D83-Y109 HydrophobicContact CB-CD1 3.99Å; D83-Y109 HydrophobicContact CB-CE1 3.58Å; D83-Y109 VanDerWaalsContact CG-CD1 3.43Å; D83-Y109 WeakPolarHBondContact OD1-CD1 3.38Å
84Q96.6Very high93.1Very high18 Ų1844.7 Ų44.78%0.08424%0.243CC..Hα-helixtrans-67.1-43.5174.8-68.2-179.262.800112.2F69 Q76 S79 D80 P81 I82 R87 H88F69-Q84 HydrophobicContact CE1-CB 3.99Å; F69-Q84 HydrophobicContact CZ-CB 3.84Å; Q76-Q84 PolarHBondContact O-NE2 3.45Å; S79-Q84 PolarHBondContact O-NE2 2.86Å; D80-Q84 WeakPolarHBondContact O-CG 3.41Å; D80-Q84 PolarHBondContact O-N 3.22Å; D80-Q84 VanDerWaalsContact O-N 3.14Å; P81-Q84 PolarHBondContact O-N 2.89Å; I82-Q84 VanDerWaalsContact C-N 3.31Å; I82-Q84 PolarHBondContact O-N 2.89Å; Q84-R87 PolarHBondContact O-N 2.94Å; Q84-H88 WeakPolarHBondContact O-CB 3.36Å; Q84-H88 PolarHBondContact O-N 3.27Å
85C98Very high93.8Very high0 Ų043.9 Ų43.90%024%0.238CC..Hα-helixtrans-60-51.8174.4172.80000111.2F66 F69 P81 I82 R87 H88 C89F66-C85 VanDerWaalsContact CA-SG 3.55Å; F66-C85 HydrophobicContact CD2-CB 3.79Å; F69-C85 HydrophobicContact CB-CB 4.15Å; F69-C85 HydrophobicContact CD1-CB 3.55Å; F69-C85 HydrophobicContact CD2-CB 4.37Å; F69-C85 HydrophobicContact CE1-CB 3.99Å; F69-C85 HydrophobicContact CG-CB 3.76Å; P81-C85 PolarHBondContact O-N 2.72Å; I82-C85 PolarHBondContact O-N 3.41Å; C85-R87 VanDerWaalsContact C-N 3.33Å; C85-R87 PolarHBondContact O-N 3.13Å; C85-H88 WeakPolarHBondContact O-CB 3.47Å; C85-H88 PolarHBondContact O-N 3.18Å; C85-H88 VanDerWaalsContact O-N 3.14Å; C85-C89 PolarHBondContact O-N 3.4Å; C85-C89 PolarHBondContact O-SG 3.2Å; C85-C89 VanDerWaalsContact O-SG 3.33Å
86V98.3Very high94.3Very high1 Ų148.9 Ų48.91%0.00626%0.261CS..Hα-helixtrans-58.3-46.4179.21690000110.8F24 M61 I82 H88 C89 V90 F107 R165F24-V86 HydrophobicContact CE1-CG2 4.24Å; F24-V86 HydrophobicContact CZ-CG2 4.32Å; M61-V86 HydrophobicContact CE-CG2 4.27Å; I82-V86 VanDerWaalsContact O-CG2 3.31Å; I82-V86 WeakPolarHBondContact O-CG2 3.39Å; I82-V86 PolarHBondContact O-N 2.99Å; V86-H88 PolarHBondContact O-N 2.96Å; V86-C89 PolarHBondContact O-N 3.43Å; V86-V90 HydrophobicContact CG1-CG2 4.35Å; V86-V90 WeakPolarHBondContact O-CB 3.13Å; V86-V90 VanDerWaalsContact O-CG2 3.31Å; V86-V90 WeakPolarHBondContact O-CG2 3.42Å; V86-V90 PolarHBondContact O-N 2.8Å; V86-F107 HydrophobicContact CG1-CD1 4.06Å; V86-F107 HydrophobicContact CG1-CE1 4.16Å; V86-R165 HydrophobicContact CG1-CB 3.83Å; V86-R165 HydrophobicContact CG1-CG 4.27Å; V86-R165 HydrophobicContact CG2-CG 4.36Å
87R97.8Very high94.9Very high89 Ų8944.8 Ų44.834%0.33624%0.244SC..Hα-helixtrans-58.9-47.5175.8-175.5-177.2-61.6137.8-1.9111.2D83 Q84 C85 S91 F107 Y109D83-R87 VanDerWaalsContact O-CB 3.24Å; D83-R87 WeakPolarHBondContact O-CB 3.12Å; D83-R87 PolarHBondContact O-N 3.4Å; Q84-R87 PolarHBondContact O-N 2.94Å; C85-R87 VanDerWaalsContact C-N 3.33Å; C85-R87 PolarHBondContact O-N 3.13Å; R87-S91 WeakPolarHBondContact O-CB 3.28Å; R87-S91 PolarHBondContact O-N 2.97Å; R87-S91 PolarHBondContact O-OG 2.88Å; R87-S91 VanDerWaalsContact O-OG 3.05Å; R87-F107 HydrophobicContact CB-CE1 4.18Å; R87-F107 HydrophobicContact CB-CE2 4.39Å; R87-F107 HydrophobicContact CB-CZ 3.9Å; R87-F107 HydrophobicContact CG-CE1 4.48Å; R87-F107 HydrophobicContact CG-CE2 3.95Å; R87-F107 HydrophobicContact CG-CZ 3.72Å; R87-Y109 VanDerWaalsContact CZ-OH 3.28Å; R87-Y109 PolarHBondContact NE-OH 3.32Å; R87-Y109 PolarHBondContact NH2-OH 2.84Å
88H97.3Very high95.5Very high98 Ų9839.1 Ų39.145%0.45422%0.22SC..Hα-helixtrans-59.4-48.8178.417878000111.9F69 Q84 C85 V86 T92F69-H88 HydrophobicContact CD2-CB 4.12Å; F69-H88 HydrophobicContact CE2-CB 3.67Å; F69-H88 AromaticContact CE2-CG 3.89Å; Q84-H88 WeakPolarHBondContact O-CB 3.36Å; Q84-H88 PolarHBondContact O-N 3.27Å; C85-H88 WeakPolarHBondContact O-CB 3.47Å; C85-H88 PolarHBondContact O-N 3.18Å; C85-H88 VanDerWaalsContact O-N 3.14Å; V86-H88 PolarHBondContact O-N 2.96Å; H88-T92 WeakPolarHBondContact O-CB 3.36Å; H88-T92 PolarHBondContact O-N 3Å; H88-T92 PolarHBondContact O-OG1 3.11Å
89C98.3Very high96.1Very high11 Ų1137.8 Ų37.87%0.07421%0.211CC..Hα-helixtrans-62.5-48.8-179.9-66.20000111.9L19 L22 F24 C85 V86 A93L19-C89 HydrophobicContact CD2-CB 4.39Å; L22-C89 HydrophobicContact CD1-CB 4.29Å; F24-C89 HydrophobicContact CE2-CB 3.94Å; F24-C89 HydrophobicContact CZ-CB 4.15Å; C85-C89 PolarHBondContact O-N 3.4Å; C85-C89 PolarHBondContact O-SG 3.2Å; C85-C89 VanDerWaalsContact O-SG 3.33Å; V86-C89 PolarHBondContact O-N 3.43Å; C89-A93 WeakPolarHBondContact O-CB 3.46Å; C89-A93 PolarHBondContact O-N 2.94Å
90V98.3Very high96.4Very high0 Ų044.5 Ų44.50%024%0.238CC..Hα-helixtrans-67.7-47.4-178.2175.60000111.2V55 V86 T92 A93 V94 V105 F107 L168V55-V90 HydrophobicContact CG1-CG2 4.46Å; V86-V90 HydrophobicContact CG1-CG2 4.35Å; V86-V90 WeakPolarHBondContact O-CB 3.13Å; V86-V90 VanDerWaalsContact O-CG2 3.31Å; V86-V90 WeakPolarHBondContact O-CG2 3.42Å; V86-V90 PolarHBondContact O-N 2.8Å; V90-T92 VanDerWaalsContact C-N 3.34Å; V90-T92 PolarHBondContact O-N 2.6Å; V90-A93 PolarHBondContact O-N 2.98Å; V90-V94 HydrophobicContact CG1-CG2 4.44Å; V90-V94 WeakPolarHBondContact O-CG2 3.33Å; V90-V94 PolarHBondContact O-N 2.94Å; V90-V105 HydrophobicContact CG1-CG1 3.74Å; V90-F107 HydrophobicContact CB-CE1 4.09Å; V90-F107 HydrophobicContact CB-CZ 4.48Å; V90-F107 HydrophobicContact CG1-CE1 4.33Å; V90-F107 HydrophobicContact CG2-CE1 4.39Å; V90-L168 HydrophobicContact CG1-CD1 4.44Å; V90-L168 HydrophobicContact CG1-CD2 4.18Å; V90-L168 HydrophobicContact CG1-CG 4.48Å
91S97.2Very high96.4Very high53 Ų5345.1 Ų45.137%0.37124%0.241SC..Hα-helixtrans-64.7-37.4179.1-64.10000112.2R87 S95R87-S91 WeakPolarHBondContact O-CB 3.28Å; R87-S91 PolarHBondContact O-N 2.97Å; R87-S91 PolarHBondContact O-OG 2.88Å; R87-S91 VanDerWaalsContact O-OG 3.05Å; S91-S95 WeakPolarHBondContact O-CB 3.32Å; S91-S95 PolarHBondContact O-N 3.14Å; S91-S95 PolarHBondContact O-OG 2.91Å
92T96.9Very high96.4Very high41 Ų4150.6 Ų50.625%0.25226%0.264SS..Hα-helixtrans-64.2-47.7173.7-58.90000110.7H88 V90 V94 S95 Q96H88-T92 WeakPolarHBondContact O-CB 3.36Å; H88-T92 PolarHBondContact O-N 3Å; H88-T92 PolarHBondContact O-OG1 3.11Å; V90-T92 VanDerWaalsContact C-N 3.34Å; V90-T92 PolarHBondContact O-N 2.6Å; T92-V94 VanDerWaalsContact C-N 3.34Å; T92-V94 PolarHBondContact O-N 2.73Å; T92-S95 PolarHBondContact O-N 3.2Å; T92-S95 PolarHBondContact O-OG 3.29Å; T92-S95 VanDerWaalsContact O-OG 3.11Å; T92-Q96 HydrophobicContact CG2-CG 4.23Å; T92-Q96 WeakPolarHBondContact O-CB 3.38Å; T92-Q96 VanDerWaalsContact O-CG 3.28Å; T92-Q96 WeakPolarHBondContact O-CG 3.41Å; T92-Q96 PolarHBondContact O-N 3.41Å
93A97.7Very high96.4Very high3 Ų351.7 Ų51.73%0.02527%0.271CS..Hα-helixtrans-60.1-43179.100000112.3L15 C18 L19 C89 V90 S97L15-A93 HydrophobicContact CD2-CB 4.4Å; C18-A93 HydrophobicContact CB-CB 3.76Å; L19-A93 HydrophobicContact CD1-CB 4.21Å; L19-A93 HydrophobicContact CD2-CB 3.74Å; L19-A93 HydrophobicContact CG-CB 3.76Å; C89-A93 WeakPolarHBondContact O-CB 3.46Å; C89-A93 PolarHBondContact O-N 2.94Å; V90-A93 PolarHBondContact O-N 2.98Å; A93-S97 WeakPolarHBondContact O-CB 3.28Å; A93-S97 PolarHBondContact O-N 2.84Å; A93-S97 PolarHBondContact O-OG 2.91Å
94V97.2Very high96.5Very high17 Ų1752.2 Ų52.210%0.10327%0.274CS..Hα-helixtrans-64.4-52.3177.3170.60000111.4L15 V90 T92 Q96 S97 F98 V103 V105 L168L15-V94 HydrophobicContact CD2-CG2 4.46Å; V90-V94 HydrophobicContact CG1-CG2 4.44Å; V90-V94 WeakPolarHBondContact O-CG2 3.33Å; V90-V94 PolarHBondContact O-N 2.94Å; T92-V94 VanDerWaalsContact C-N 3.34Å; T92-V94 PolarHBondContact O-N 2.73Å; V94-Q96 VanDerWaalsContact C-N 3.32Å; V94-Q96 PolarHBondContact O-N 3.13Å; V94-S97 PolarHBondContact O-N 3.48Å; V94-F98 PolarHBondContact O-N 2.99Å; V94-V103 HydrophobicContact CG1-CB 3.82Å; V94-V103 HydrophobicContact CG1-CG1 4.16Å; V94-V103 HydrophobicContact CG1-CG2 3.9Å; V94-V103 HydrophobicContact CG2-CG1 4.43Å; V94-V105 HydrophobicContact CG2-CG2 4.2Å; V94-L168 HydrophobicContact CG2-CD2 3.32Å
95S96.4Very high96.6Very high71 Ų7152.7 Ų52.750%0.49728%0.278SS..Hα-helixtrans-65.6-33.4-176.155.30000113.3S91 T92S91-S95 WeakPolarHBondContact O-CB 3.32Å; S91-S95 PolarHBondContact O-N 3.14Å; S91-S95 PolarHBondContact O-OG 2.91Å; T92-S95 PolarHBondContact O-N 3.2Å; T92-S95 PolarHBondContact O-OG 3.29Å; T92-S95 VanDerWaalsContact O-OG 3.11Å
96Q95.6Very high96.6Very high135 Ų13553.7 Ų53.763%0.63128%0.282SS*.Hα-helixtrans-76.4-38176.1-70.4178.6-13.500112.8T92 V94T92-Q96 HydrophobicContact CG2-CG 4.23Å; T92-Q96 WeakPolarHBondContact O-CB 3.38Å; T92-Q96 VanDerWaalsContact O-CG 3.28Å; T92-Q96 WeakPolarHBondContact O-CG 3.41Å; T92-Q96 PolarHBondContact O-N 3.41Å; V94-Q96 VanDerWaalsContact C-N 3.32Å; V94-Q96 PolarHBondContact O-N 3.13Å
97S95.4Very high96.6Very high29 Ų2954.1 Ų54.120%0.20328%0.283CS..Hα-helixtrans-84.8-31.4-174.8-55.10000112.7A93 V94A93-S97 WeakPolarHBondContact O-CB 3.28Å; A93-S97 PolarHBondContact O-N 2.84Å; A93-S97 PolarHBondContact O-OG 2.91Å; V94-S97 PolarHBondContact O-N 3.48Å
98F95Very high96.6Very high16 Ų1652.5 Ų52.57%0.0728%0.281CS..  trans-137.960.9-171.8-42.4-69.4000112.4V11 P14 L15 V94 E100 L101 F170V11-F98 HydrophobicContact CB-CZ 4.37Å; V11-F98 HydrophobicContact CG1-CZ 4.12Å; V11-F98 HydrophobicContact CG2-CE1 4.32Å; V11-F98 WeakPolarHBondContact O-CZ 3.41Å; P14-F98 HydrophobicContact CB-CE1 4.21Å; P14-F98 HydrophobicContact CB-CZ 4.01Å; P14-F98 HydrophobicContact CG-CE1 4.34Å; P14-F98 HydrophobicContact CG-CZ 4.5Å; L15-F98 HydrophobicContact CD1-CE2 4.27Å; L15-F98 HydrophobicContact CD2-CE2 3.7Å; L15-F98 HydrophobicContact CD2-CZ 4.47Å; L15-F98 HydrophobicContact CG-CE2 3.58Å; L15-F98 HydrophobicContact CG-CZ 3.9Å; V94-F98 PolarHBondContact O-N 2.99Å; F98-E100 PolarHBondContact O-N 3.14Å; F98-E100 VanDerWaalsContact O-N 3.12Å; F98-L101 HydrophobicContact CB-CB 3.89Å; F98-L101 HydrophobicContact CB-CD1 3.97Å; F98-L101 HydrophobicContact CB-CG 4.02Å; F98-L101 HydrophobicContact CD1-CD1 3.75Å; F98-L101 HydrophobicContact CG-CD1 4.05Å; F98-L101 PolarHBondContact O-N 3.05Å; F98-F170 HydrophobicContact CD1-CE1 4.44Å; F98-F170 AromaticContact CD2-CE1 3.72Å; F98-F170 HydrophobicContact CD2-CE1 3.72Å; F98-F170 HydrophobicContact CD2-CZ 4.17Å; F98-F170 AromaticContact CE2-CE1 3.83Å; F98-F170 HydrophobicContact CE2-CE1 3.83Å; F98-F170 AromaticContact CE2-CZ 3.92Å; F98-F170 HydrophobicContact CE2-CZ 3.92Å; F98-F170 HydrophobicContact CG-CE1 4.05Å; F98-F170 HydrophobicContact CZ-CE1 4.25Å; F98-F170 HydrophobicContact CZ-CZ 4.44Å
99P93.3Very high96.5Very high107 Ų10750.9 Ų50.970%0.69527%0.272SS*.THydrogen-bonded Turntrans-61.6-22.8-179.125.8-35.1000113.5
100E92.9Very high96.4Very high187 Ų18752.3 Ų52.387%0.87428%0.277SS*.THydrogen-bonded Turntrans-102.7-11-177.1-60.7-176.3178.200113.8F98F98-E100 PolarHBondContact O-N 3.14Å; F98-E100 VanDerWaalsContact O-N 3.12Å
101L93Very high96.3Very high33 Ų3355.9 Ų55.917%0.17330%0.296CS..SBendtrans-93.5141.2-179.4-57.1-178000110.9A6 F98 V103 F170 V173A6-L101 HydrophobicContact CB-CD1 4.42Å; F98-L101 HydrophobicContact CB-CB 3.89Å; F98-L101 HydrophobicContact CB-CD1 3.97Å; F98-L101 HydrophobicContact CB-CG 4.02Å; F98-L101 HydrophobicContact CD1-CD1 3.75Å; F98-L101 HydrophobicContact CG-CD1 4.05Å; F98-L101 PolarHBondContact O-N 3.05Å; L101-V103 HydrophobicContact CB-CG2 4.27Å; L101-V103 PolarHBondContact O-N 3.45Å; L101-F170 HydrophobicContact CD1-CD1 4.04Å; L101-F170 HydrophobicContact CD1-CE1 4.38Å; L101-V173 HydrophobicContact CD1-CG2 4.11Å
102K95.3Very high96Very high118 Ų11857 Ų5751%0.51330%0.297SS..  trans-81.8114169.3-168176.8176.5-152.70110E171K102-E171 HydrophobicContact CB-CB 4.4Å; K102-E171 HydrophobicContact CD-CB 4.5Å; K102-E171 HydrophobicContact CD-CG 4.39Å; K102-E171 WeakPolarHBondContact CD-OE2 3.47Å; K102-E171 VanDerWaalsContact CE-CD 3.41Å; K102-E171 WeakPolarHBondContact CE-OE1 3.37Å; K102-E171 VanDerWaalsContact CE-OE2 3.23Å; K102-E171 WeakPolarHBondContact CE-OE2 3.27Å; K102-E171 HydrophobicContact CG-CG 4.32Å; K102-E171 VanDerWaalsContact NZ-CD 3.31Å; K102-E171 IonicContact NZ-OE1 2.78Å; K102-E171 PolarHBondContact NZ-OE1 3.32Å; K102-E171 IonicContact NZ-OE2 3.58Å; K102-E171 PolarHBondContact NZ-OE2 3.05Å; K102-E171 PolarHBondContact O-N 2.92Å
103V97.7Very high95.8Very high27 Ų2761.6 Ų61.616%0.16433%0.328CS..EExtended strand (participates in β ladder)trans-119.5116.1-179.9-171.50000109.6V94 L101 V105 L168 V169 F170V94-V103 HydrophobicContact CG1-CB 3.82Å; V94-V103 HydrophobicContact CG1-CG1 4.16Å; V94-V103 HydrophobicContact CG1-CG2 3.9Å; V94-V103 HydrophobicContact CG2-CG1 4.43Å; L101-V103 HydrophobicContact CB-CG2 4.27Å; L101-V103 PolarHBondContact O-N 3.45Å; V103-V105 HydrophobicContact CG1-CG2 4.03Å; V103-L168 HydrophobicContact CG1-CB 3.95Å; V103-L168 HydrophobicContact CG1-CD2 4.21Å; V103-L168 HydrophobicContact CG1-CG 4.47Å; V103-V169 WeakPolarHBondContact CA-O 3.27Å; V103-F170 HydrophobicContact CG1-CE1 4.34Å; V103-F170 HydrophobicContact CG1-CE2 4.35Å; V103-F170 HydrophobicContact CG1-CZ 4.21Å; V103-F170 HydrophobicContact CG2-CD1 3.67Å; V103-F170 HydrophobicContact CG2-CE1 3.59Å; V103-F170 HydrophobicContact CG2-CG 4.39Å; V103-F170 HydrophobicContact CG2-CZ 4.24Å
104D97.8Very high95.5Very high43 Ų4365.1 Ų65.123%0.2335%0.353CS..EExtended strand (participates in β ladder)trans-82.8113168.6-176.317.6000109.4Y46 R106 L168 V169Y46-D104 VanDerWaalsContact OH-CB 3.25Å; Y46-D104 WeakPolarHBondContact OH-CB 3.37Å; Y46-D104 PolarHBondContact OH-OD2 3.03Å; D104-R106 IonicContact OD2-CZ 2.68Å; D104-R106 IonicContact OD2-NE 3.57Å; D104-R106 PolarHBondContact OD2-NE 3.4Å; D104-R106 IonicContact OD2-NH2 3.05Å; D104-R106 PolarHBondContact OD2-NH2 3.16Å; D104-L168 CarbonylContact O-C 3.47Å; D104-L168 WeakPolarHBondContact O-CA 3.22Å; D104-V169 PolarHBondContact N-O 2.74Å; D104-V169 PolarHBondContact O-N 3.26Å
105V98.3Very high95.4Very high27 Ų2773.6 Ų73.616%0.16438%0.383CS..EExtended strand (participates in β ladder)trans-101.5118.8179.6-175.30000109.1V90 V94 V103 F107 L168V90-V105 HydrophobicContact CG1-CG1 3.74Å; V94-V105 HydrophobicContact CG2-CG2 4.2Å; V103-V105 HydrophobicContact CG1-CG2 4.03Å; V105-F107 HydrophobicContact CG1-CD2 4.46Å; V105-F107 HydrophobicContact CG1-CE1 4.04Å; V105-F107 HydrophobicContact CG1-CE2 3.79Å; V105-F107 HydrophobicContact CG1-CZ 3.54Å; V105-L168 HydrophobicContact CG2-CD2 4.42Å; V105-L168 HydrophobicContact CG2-CG 4.34Å
106R98.2Very high95.2Very high22 Ų2274 Ų748%0.08338%0.376CS..EExtended strand (participates in β ladder)trans-115.4126.4177.8-60.7176.5-178.5153.9-1.2109.9Y46 D104 E110 K118 F119 A166 L167Y46-R106 PolarHBondContact OH-NH2 3.33Å; D104-R106 IonicContact OD2-CZ 2.68Å; D104-R106 IonicContact OD2-NE 3.57Å; D104-R106 PolarHBondContact OD2-NE 3.4Å; D104-R106 IonicContact OD2-NH2 3.05Å; D104-R106 PolarHBondContact OD2-NH2 3.16Å; R106-E110 WeakPolarHBondContact CA-OE2 3.34Å; R106-K118 HydrophobicContact CG-CD 4.4Å; R106-F119 HydrophobicContact CB-CD1 3.82Å; R106-F119 HydrophobicContact CB-CE1 4.03Å; R106-F119 WeakPolarHBondContact O-CE1 3.47Å; R106-A166 CarbonylContact O-C 3.51Å; R106-A166 WeakPolarHBondContact O-CA 3.46Å; R106-A166 WeakPolarHBondContact O-CB 3.34Å; R106-L167 PolarHBondContact N-O 2.75Å; R106-L167 PolarHBondContact O-N 3.21Å
107F98.5Very high95.3Very high10 Ų1069.6 Ų69.64%0.04436%0.358CS..EExtended strand (participates in β ladder)trans-96.3152.1178.8-58.4-84.9000111.9V86 R87 V90 V105 Y109 E110 R165 A166V86-F107 HydrophobicContact CG1-CD1 4.06Å; V86-F107 HydrophobicContact CG1-CE1 4.16Å; R87-F107 HydrophobicContact CB-CE1 4.18Å; R87-F107 HydrophobicContact CB-CE2 4.39Å; R87-F107 HydrophobicContact CB-CZ 3.9Å; R87-F107 HydrophobicContact CG-CE1 4.48Å; R87-F107 HydrophobicContact CG-CE2 3.95Å; R87-F107 HydrophobicContact CG-CZ 3.72Å; V90-F107 HydrophobicContact CB-CE1 4.09Å; V90-F107 HydrophobicContact CB-CZ 4.48Å; V90-F107 HydrophobicContact CG1-CE1 4.33Å; V90-F107 HydrophobicContact CG2-CE1 4.39Å; V105-F107 HydrophobicContact CG1-CD2 4.46Å; V105-F107 HydrophobicContact CG1-CE1 4.04Å; V105-F107 HydrophobicContact CG1-CE2 3.79Å; V105-F107 HydrophobicContact CG1-CZ 3.54Å; F107-Y109 HydrophobicContact CB-CD1 3.93Å; F107-Y109 HydrophobicContact CB-CD2 4.48Å; F107-Y109 HydrophobicContact CB-CE1 3.37Å; F107-Y109 HydrophobicContact CB-CE2 3.99Å; F107-Y109 HydrophobicContact CB-CG 4.44Å; F107-Y109 HydrophobicContact CD1-CE1 4.34Å; F107-Y109 WeakPolarHBondContact CD2-OH 3.46Å; F107-Y109 AromaticContact CG-CE1 3.93Å; F107-Y109 HydrophobicContact CG-CE1 3.93Å; F107-Y109 AromaticContact CG-CZ 3.75Å; F107-Y109 WeakPolarHBondContact CG-OH 3.29Å; F107-Y109 PolarHBondContact O-N 3.45Å; F107-E110 HydrophobicContact CB-CG 4.09Å; F107-E110 PolarHBondContact N-OE2 3.11Å; F107-E110 WeakPolarHBondContact O-CB 3.39Å; F107-E110 PolarHBondContact O-N 3.47Å; F107-R165 WeakPolarHBondContact CA-O 3.38Å; F107-A166 HydrophobicContact CD1-CB 4.06Å; F107-A166 HydrophobicContact CE1-CB 4.34Å
108D97.9Very high95.4Very high55 Ų5571.5 Ų71.529%0.29436%0.363SS..THydrogen-bonded Turntrans-59.8-29.8-173.663.4-56.6000113.9F119 I164 R165D108-F119 HydrophobicContact CB-CZ 4.5Å; D108-I164 WeakPolarHBondContact CB-O 3.07Å; D108-I164 VanDerWaalsContact CG-O 3.26Å; D108-R165 PolarHBondContact N-O 3.01Å; D108-R165 VanDerWaalsContact OD1-O 3.05Å
109Y95.7Very high95.5Very high63 Ų6371 Ų7125%0.24736%0.361CS..THydrogen-bonded Turntrans-81.8-8.9177.457.5-100.8000114.2D83 R87 F107D83-Y109 HydrophobicContact CB-CD1 3.99Å; D83-Y109 HydrophobicContact CB-CE1 3.58Å; D83-Y109 VanDerWaalsContact CG-CD1 3.43Å; D83-Y109 WeakPolarHBondContact OD1-CD1 3.38Å; R87-Y109 VanDerWaalsContact CZ-OH 3.28Å; R87-Y109 PolarHBondContact NE-OH 3.32Å; R87-Y109 PolarHBondContact NH2-OH 2.84Å; F107-Y109 HydrophobicContact CB-CD1 3.93Å; F107-Y109 HydrophobicContact CB-CD2 4.48Å; F107-Y109 HydrophobicContact CB-CE1 3.37Å; F107-Y109 HydrophobicContact CB-CE2 3.99Å; F107-Y109 HydrophobicContact CB-CG 4.44Å; F107-Y109 HydrophobicContact CD1-CE1 4.34Å; F107-Y109 WeakPolarHBondContact CD2-OH 3.46Å; F107-Y109 AromaticContact CG-CE1 3.93Å; F107-Y109 HydrophobicContact CG-CE1 3.93Å; F107-Y109 AromaticContact CG-CZ 3.75Å; F107-Y109 WeakPolarHBondContact CG-OH 3.29Å; F107-Y109 PolarHBondContact O-N 3.45Å
110E96.3Very high95.8Very high42 Ų4268.1 Ų68.120%0.19634%0.339CS..  trans-78.6131.1-173.8-68-172.9106.500112.7R106 F107 K118R106-E110 WeakPolarHBondContact CA-OE2 3.34Å; F107-E110 HydrophobicContact CB-CG 4.09Å; F107-E110 PolarHBondContact N-OE2 3.11Å; F107-E110 WeakPolarHBondContact O-CB 3.39Å; F107-E110 PolarHBondContact O-N 3.47Å; E110-K118 HydrophobicContact CB-CB 4.42Å; E110-K118 HydrophobicContact CB-CD 3.68Å; E110-K118 HydrophobicContact CB-CG 3.96Å; E110-K118 VanDerWaalsContact CD-NZ 3.26Å; E110-K118 HydrophobicContact CG-CD 4.48Å; E110-K118 PolarHBondContact O-N 2.95Å; E110-K118 IonicContact OE1-NZ 3.22Å; E110-K118 PolarHBondContact OE1-NZ 2.87Å; E110-K118 IonicContact OE2-NZ 3.55Å; E110-K118 PolarHBondContact OE2-NZ 2.82Å
111L95.4Very high96Very high74 Ų7460.2 Ų60.239%0.38731%0.306SS..BIsolated β-bridgetrans-113.5145.3176.8-54.1179.2000110.5K116 P117L111-K116 CarbonylContact C-O 3.56Å; L111-K116 VanDerWaalsContact CA-O 3.32Å; L111-K116 WeakPolarHBondContact CA-O 3.44Å; L111-P117 HydrophobicContact CD2-CB 4.22Å
112L90.8Very high96.3Very high77 Ų7761.3 Ų61.340%0.40331%0.31SS..  trans-66.9163.1163-65.4175000110.2S114 R115 K116 K118L112-S114 PolarHBondContact O-N 2.97Å; L112-R115 WeakPolarHBondContact O-CA 3.38Å; L112-R115 PolarHBondContact O-N 2.67Å; L112-K116 HydrophobicContact CD1-CB 4.44Å; L112-K116 PolarHBondContact N-O 2.87Å; L112-K118 HydrophobicContact CD2-CG 4.07Å; L112-K118 HydrophobicContact CG-CG 4.32Å
113P93.6Very high96.5Very high138 Ų13856.5 Ų56.590%0.89629%0.291SS*.THydrogen-bonded Turntrans-53.6-28.5173.1-27.936000113.7R115P113-R115 PolarHBondContact O-N 2.76Å
114S92.4Very high96.5Very high77 Ų7755.2 Ų55.254%0.53828%0.283SS..THydrogen-bonded Turntrans-72.74.4173.9610000114.6L112 K116L112-S114 PolarHBondContact O-N 2.97Å; S114-K116 PolarHBondContact O-N 3.1Å; S114-K116 VanDerWaalsContact O-N 3.14Å
115R93.5Very high96.6Very high195 Ų19553.2 Ų53.274%0.73627%0.272SS*.SBendtrans64.25.4-174-55.6-70.8-66.3178.5-1114.8L112 P113L112-R115 WeakPolarHBondContact O-CA 3.38Å; L112-R115 PolarHBondContact O-N 2.67Å; P113-R115 PolarHBondContact O-N 2.76Å
116K93.5Very high96.6Very high80 Ų8053.7 Ų53.735%0.34827%0.273SS..  trans-74142.9170-67.2-173.6178.1-173.70110F42 L111 L112 S114F42-K116 HydrophobicContact CE1-CB 4.42Å; F42-K116 HydrophobicContact CE1-CD 4.23Å; F42-K116 HydrophobicContact CZ-CD 4.49Å; L111-K116 CarbonylContact C-O 3.56Å; L111-K116 VanDerWaalsContact CA-O 3.32Å; L111-K116 WeakPolarHBondContact CA-O 3.44Å; L112-K116 HydrophobicContact CD1-CB 4.44Å; L112-K116 PolarHBondContact N-O 2.87Å; S114-K116 PolarHBondContact O-N 3.1Å; S114-K116 VanDerWaalsContact O-N 3.14Å
117P96.3Very high96.6Very high41 Ų4152.7 Ų52.727%0.26627%0.269SS..BIsolated β-bridgetrans-61.9144.9172.829.3-36.3000110.7F42 L111 F119 L120F42-P117 HydrophobicContact CE1-CG 4.41Å; L111-P117 HydrophobicContact CD2-CB 4.22Å; P117-F119 WeakPolarHBondContact CB-O 3.28Å; P117-F119 PolarHBondContact O-N 3.3Å; P117-L120 HydrophobicContact CG-CD2 3.6Å
118K97.3Very high96.6Very high70 Ų7052.4 Ų52.430%0.30427%0.269SS..SBendtrans-62.1-26.4177-76-168.8-178.8172.80112.6R106 E110 L112R106-K118 HydrophobicContact CG-CD 4.4Å; E110-K118 HydrophobicContact CB-CB 4.42Å; E110-K118 HydrophobicContact CB-CD 3.68Å; E110-K118 HydrophobicContact CB-CG 3.96Å; E110-K118 VanDerWaalsContact CD-NZ 3.26Å; E110-K118 HydrophobicContact CG-CD 4.48Å; E110-K118 PolarHBondContact O-N 2.95Å; E110-K118 IonicContact OE1-NZ 3.22Å; E110-K118 PolarHBondContact OE1-NZ 2.87Å; E110-K118 IonicContact OE2-NZ 3.55Å; E110-K118 PolarHBondContact OE2-NZ 2.82Å; L112-K118 HydrophobicContact CD2-CG 4.07Å; L112-K118 HydrophobicContact CG-CG 4.32Å
119F98.3Very high96.6Very high6 Ų650.4 Ų50.43%0.02626%0.261CS..SBendtrans-153.9157.4169.773.4-73.9000110.4L44 R106 D108 P117 A121 A124 L167L44-F119 HydrophobicContact CD2-CB 4.24Å; R106-F119 HydrophobicContact CB-CD1 3.82Å; R106-F119 HydrophobicContact CB-CE1 4.03Å; R106-F119 WeakPolarHBondContact O-CE1 3.47Å; D108-F119 HydrophobicContact CB-CZ 4.5Å; P117-F119 WeakPolarHBondContact CB-O 3.28Å; P117-F119 PolarHBondContact O-N 3.3Å; F119-A121 HydrophobicContact CD2-CB 4.46Å; F119-A121 HydrophobicContact CE2-CB 3.82Å; F119-A121 HydrophobicContact CZ-CB 4.23Å; F119-A121 PolarHBondContact O-N 2.8Å; F119-A124 HydrophobicContact CD2-CB 4.22Å; F119-A124 HydrophobicContact CE2-CB 4.41Å; F119-L167 HydrophobicContact CB-CD2 4.05Å; F119-L167 HydrophobicContact CD1-CB 4.2Å; F119-L167 HydrophobicContact CD2-CB 3.75Å; F119-L167 HydrophobicContact CD2-CD2 4Å; F119-L167 HydrophobicContact CD2-CG 4.44Å; F119-L167 HydrophobicContact CE1-CB 4.14Å; F119-L167 HydrophobicContact CE2-CB 3.67Å; F119-L167 HydrophobicContact CG-CB 4.02Å; F119-L167 HydrophobicContact CG-CD2 4.07Å; F119-L167 HydrophobicContact CZ-CB 3.89Å
120L98.5Very high96.8Very high45 Ų4547.5 Ų47.524%0.23625%0.25CC..  trans-89.596.4176-64.3-179.4000109.8Y34 L38 F42 P117 Q122 T123 A124Y34-L120 HydrophobicContact CE2-CB 4.33Å; Y34-L120 PolarHBondContact OH-N 2.6Å; L38-L120 HydrophobicContact CD1-CD1 4.06Å; L38-L120 HydrophobicContact CD2-CD1 3.56Å; L38-L120 HydrophobicContact CG-CD1 4.46Å; F42-L120 HydrophobicContact CB-CD1 4.2Å; F42-L120 HydrophobicContact CD1-CD1 4.05Å; F42-L120 HydrophobicContact CD1-CD2 4.18Å; F42-L120 HydrophobicContact CD1-CG 4.01Å; F42-L120 HydrophobicContact CD2-CD1 4.07Å; F42-L120 HydrophobicContact CE1-CD1 4.43Å; F42-L120 HydrophobicContact CE1-CD2 4.07Å; F42-L120 HydrophobicContact CE1-CG 4.39Å; F42-L120 HydrophobicContact CE2-CD1 4.47Å; F42-L120 HydrophobicContact CG-CD1 3.86Å; F42-L120 HydrophobicContact CG-CG 4.29Å; P117-L120 HydrophobicContact CG-CD2 3.6Å; L120-Q122 PolarHBondContact O-N 3.04Å; L120-T123 WeakPolarHBondContact O-CB 3.4Å; L120-T123 PolarHBondContact O-N 2.83Å; L120-T123 VanDerWaalsContact O-N 3.16Å; L120-A124 PolarHBondContact O-N 3.21Å
121A98.6Very high96.9Very high22 Ų2245.5 Ų45.518%0.18224%0.24CC..Hα-helixtrans-53.1-49.2-172.400000113.9F119 T123 A124 A125 I164F119-A121 HydrophobicContact CD2-CB 4.46Å; F119-A121 HydrophobicContact CE2-CB 3.82Å; F119-A121 HydrophobicContact CZ-CB 4.23Å; F119-A121 PolarHBondContact O-N 2.8Å; A121-T123 VanDerWaalsContact C-N 3.32Å; A121-T123 PolarHBondContact O-N 2.88Å; A121-A124 WeakPolarHBondContact O-CB 3.44Å; A121-A124 PolarHBondContact O-N 3.27Å; A121-A124 VanDerWaalsContact O-N 3.14Å; A121-A125 PolarHBondContact O-N 2.83Å; A121-I164 HydrophobicContact CB-CB 4.04Å; A121-I164 HydrophobicContact CB-CD1 4.2Å; A121-I164 HydrophobicContact CB-CG2 3.75Å; A121-I164 WeakPolarHBondContact O-CD1 3.48Å
122Q98.8Very high97Very high56 Ų5643.5 Ų43.526%0.26223%0.228SC..Hα-helixtrans-63.2-37.8-178.7-69.3174.6-26.200112.5L120 A125 H126 Y133 G151 C153 I164L120-Q122 PolarHBondContact O-N 3.04Å; Q122-A125 PolarHBondContact O-N 2.79Å; Q122-H126 WeakPolarHBondContact O-CB 3.34Å; Q122-H126 PolarHBondContact O-N 3.26Å; Q122-Y133 HydrophobicContact CB-CD1 4.19Å; Q122-Y133 HydrophobicContact CB-CD2 3.69Å; Q122-Y133 HydrophobicContact CB-CE1 4.26Å; Q122-Y133 HydrophobicContact CB-CE2 3.76Å; Q122-Y133 HydrophobicContact CB-CG 3.92Å; Q122-Y133 VanDerWaalsContact CD-CE2 3.48Å; Q122-Y133 HydrophobicContact CG-CD2 4.24Å; Q122-Y133 HydrophobicContact CG-CE2 4.16Å; Q122-Y133 VanDerWaalsContact OE1-CZ 3.27Å; Q122-Y133 PolarHBondContact OE1-OH 2.86Å; Q122-G151 PolarHBondContact NE2-O 2.93Å; Q122-G151 PolarHBondContact OE1-O 3.49Å; Q122-C153 VanDerWaalsContact CA-SG 3.56Å; Q122-C153 VanDerWaalsContact CB-SG 3.53Å; Q122-C153 PolarHBondContact O-SG 3.36Å; Q122-I164 HydrophobicContact CG-CD1 4.17Å
123T98.7Very high97.4Very high17 Ų1741.4 Ų41.410%0.10422%0.216CC..Hα-helixtrans-63.7-45.1173-55.70000111.3Y34 V37 L38 L120 A121 A125 H126 V127Y34-T123 HydrophobicContact CD2-CG2 3.97Å; Y34-T123 HydrophobicContact CE2-CG2 4.1Å; V37-T123 HydrophobicContact CG2-CG2 3.51Å; L38-T123 HydrophobicContact CD1-CG2 4.04Å; L38-T123 HydrophobicContact CD2-CG2 4.05Å; L38-T123 HydrophobicContact CG-CG2 4.01Å; L120-T123 WeakPolarHBondContact O-CB 3.4Å; L120-T123 PolarHBondContact O-N 2.83Å; L120-T123 VanDerWaalsContact O-N 3.16Å; A121-T123 VanDerWaalsContact C-N 3.32Å; A121-T123 PolarHBondContact O-N 2.88Å; T123-A125 VanDerWaalsContact C-N 3.34Å; T123-A125 PolarHBondContact O-N 3.33Å; T123-H126 PolarHBondContact O-N 2.84Å; T123-V127 HydrophobicContact CG2-CG1 4.42Å; T123-V127 WeakPolarHBondContact O-CG2 3.38Å; T123-V127 PolarHBondContact O-N 3.02Å
124A98.8Very high97.7Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-60.1-43.5177.700000112L29 Y34 V54 F119 L120 A121 H126 S128 L167L29-A124 HydrophobicContact CD2-CB 4.27Å; Y34-A124 HydrophobicContact CD2-CB 4.07Å; Y34-A124 HydrophobicContact CE2-CB 4.22Å; V54-A124 HydrophobicContact CG2-CB 4.28Å; F119-A124 HydrophobicContact CD2-CB 4.22Å; F119-A124 HydrophobicContact CE2-CB 4.41Å; L120-A124 PolarHBondContact O-N 3.21Å; A121-A124 WeakPolarHBondContact O-CB 3.44Å; A121-A124 PolarHBondContact O-N 3.27Å; A121-A124 VanDerWaalsContact O-N 3.14Å; A124-H126 VanDerWaalsContact C-N 3.34Å; A124-H126 PolarHBondContact O-N 3.29Å; A124-S128 WeakPolarHBondContact O-CB 3.33Å; A124-S128 PolarHBondContact O-N 3.21Å; A124-S128 VanDerWaalsContact O-N 3.14Å; A124-S128 PolarHBondContact O-OG 3.38Å; A124-L167 HydrophobicContact CB-CD1 4.31Å
125A98.8Very high97.9Very high0 Ų034.8 Ų34.80%016%0.164CC..Hα-helixtrans-65.9-33.5176.100000113.5A121 Q122 T123 S128 A130 A131 I164A121-A125 PolarHBondContact O-N 2.83Å; Q122-A125 PolarHBondContact O-N 2.79Å; T123-A125 VanDerWaalsContact C-N 3.34Å; T123-A125 PolarHBondContact O-N 3.33Å; A125-S128 PolarHBondContact O-OG 2.86Å; A125-S128 VanDerWaalsContact O-OG 3.12Å; A125-A130 HydrophobicContact CB-CB 4.45Å; A125-A130 WeakPolarHBondContact O-CB 3.45Å; A125-A130 PolarHBondContact O-N 3.39Å; A125-A131 PolarHBondContact O-N 3.05Å; A125-I164 HydrophobicContact CB-CD1 3.51Å; A125-I164 HydrophobicContact CB-CG1 3.96Å
126H98.8Very high98.1Very high37 Ų3727.4 Ų27.417%0.17114%0.138CC..Hα-helixtrans-69.3-51.9176.2-174.8114000111.3Q122 T123 A124 S128 G129 A131 F132 Y133 P184Q122-H126 WeakPolarHBondContact O-CB 3.34Å; Q122-H126 PolarHBondContact O-N 3.26Å; T123-H126 PolarHBondContact O-N 2.84Å; A124-H126 VanDerWaalsContact C-N 3.34Å; A124-H126 PolarHBondContact O-N 3.29Å; H126-S128 VanDerWaalsContact C-N 3.25Å; H126-S128 PolarHBondContact O-N 3.17Å; H126-G129 PolarHBondContact O-N 3.48Å; H126-A131 VanDerWaalsContact CA-O 3.28Å; H126-A131 WeakPolarHBondContact CA-O 3.49Å; H126-F132 AromaticContact CE1-CE1 3.98Å; H126-F132 AromaticContact CE1-CE2 3.93Å; H126-F132 AromaticContact CE1-CZ 3.87Å; H126-Y133 PolarHBondContact ND1-N 3.16Å; H126-P184 WeakPolarHBondContact NE2-CG 3.46Å; H126-P184 WeakPolarHBondContact O-CG 3.31Å
127V98.6Very high98.2Very high1 Ų127.7 Ų27.71%0.00615%0.15CC..Hα-helixtrans-72.7-18.2-174.8-56.60000113.6L29 W33 V37 T123 G129L29-V127 HydrophobicContact CD1-CG2 4.49Å; L29-V127 HydrophobicContact CD2-CG2 4.32Å; W33-V127 HydrophobicContact CB-CB 4.27Å; W33-V127 HydrophobicContact CB-CG2 4.44Å; V37-V127 HydrophobicContact CG2-CG1 3.86Å; T123-V127 HydrophobicContact CG2-CG1 4.42Å; T123-V127 WeakPolarHBondContact O-CG2 3.38Å; T123-V127 PolarHBondContact O-N 3.02Å; V127-G129 VanDerWaalsContact C-N 3.3Å
128S98.4Very high98.2Very high5 Ų527.9 Ų27.94%0.03515%0.149CC..THydrogen-bonded Turntrans-83.2-5.7170.571.80000113.6V54 A124 A125 H126 A130 P182V54-S128 WeakPolarHBondContact CG1-OG 3.28Å; A124-S128 WeakPolarHBondContact O-CB 3.33Å; A124-S128 PolarHBondContact O-N 3.21Å; A124-S128 VanDerWaalsContact O-N 3.14Å; A124-S128 PolarHBondContact O-OG 3.38Å; A125-S128 PolarHBondContact O-OG 2.86Å; A125-S128 VanDerWaalsContact O-OG 3.12Å; H126-S128 VanDerWaalsContact C-N 3.25Å; H126-S128 PolarHBondContact O-N 3.17Å; S128-A130 VanDerWaalsContact C-N 3.26Å; S128-A130 PolarHBondContact O-N 2.94Å; S128-A130 WeakPolarHBondContact OG-CB 3.4Å; S128-A130 PolarHBondContact OG-N 3.33Å; S128-P182 VanDerWaalsContact C-CG 3.48Å; S128-P182 VanDerWaalsContact O-CG 3.23Å; S128-P182 WeakPolarHBondContact O-CG 3.36Å
129G98.4Very high98.2Very high13 Ų1324.7 Ų24.713%0.13414%0.135CC..THydrogen-bonded Turntrans78.62.6-176.300000114.8H126 V127H126-G129 PolarHBondContact O-N 3.48Å; V127-G129 VanDerWaalsContact C-N 3.3Å
130A98.4Very high98Very high1 Ų127.6 Ų27.61%0.00816%0.16CC..SBendtrans-67.6-44.1-175.300000112.9Y27 L56 A125 S128 H155Y27-A130 HydrophobicContact CD1-CB 3.83Å; Y27-A130 HydrophobicContact CD2-CB 3.43Å; Y27-A130 VanDerWaalsContact CD2-CB 3.43Å; Y27-A130 HydrophobicContact CE1-CB 4.04Å; Y27-A130 HydrophobicContact CE2-CB 3.64Å; Y27-A130 HydrophobicContact CG-CB 3.54Å; L56-A130 HydrophobicContact CD1-CB 4.04Å; L56-A130 HydrophobicContact CD2-CB 3.87Å; A125-A130 HydrophobicContact CB-CB 4.45Å; A125-A130 WeakPolarHBondContact O-CB 3.45Å; A125-A130 PolarHBondContact O-N 3.39Å; S128-A130 VanDerWaalsContact C-N 3.26Å; S128-A130 PolarHBondContact O-N 2.94Å; S128-A130 WeakPolarHBondContact OG-CB 3.4Å; S128-A130 PolarHBondContact OG-N 3.33Å; A130-H155 PolarHBondContact O-CD2 3.14Å; A130-H155 VanDerWaalsContact O-CD2 3.22Å
131A98.6Very high97.8Very high0 Ų032.4 Ų32.40%019%0.186CC..SBendtrans-153.3134.8-178.600000110.7A125 H126 Y133 C153 H155 F162A125-A131 PolarHBondContact O-N 3.05Å; H126-A131 VanDerWaalsContact CA-O 3.28Å; H126-A131 WeakPolarHBondContact CA-O 3.49Å; A131-Y133 PolarHBondContact O-N 2.85Å; A131-C153 HydrophobicContact CB-CB 3.91Å; A131-H155 HydrophobicContact CB-CB 4.46Å; A131-F162 HydrophobicContact CB-CE1 4.48Å; A131-F162 HydrophobicContact CB-CE2 4.25Å; A131-F162 HydrophobicContact CB-CZ 3.7Å
132F98.7Very high97.5Very high32 Ų3235.1 Ų35.114%0.1420%0.195CC..EExtended strand (participates in β ladder)trans-70121.3176.9-164.4-68.7000109.6H126 Y134 C153 I154 P184 P185 D186H126-F132 AromaticContact CE1-CE1 3.98Å; H126-F132 AromaticContact CE1-CE2 3.93Å; H126-F132 AromaticContact CE1-CZ 3.87Å; F132-Y134 HydrophobicContact CB-CE2 3.75Å; F132-Y134 AromaticContact CD1-CD1 3.72Å; F132-Y134 HydrophobicContact CD1-CD1 3.72Å; F132-Y134 AromaticContact CD1-CD2 3.89Å; F132-Y134 HydrophobicContact CD1-CD2 3.89Å; F132-Y134 AromaticContact CD1-CE1 3.55Å; F132-Y134 HydrophobicContact CD1-CE1 3.55Å; F132-Y134 AromaticContact CD1-CE2 3.69Å; F132-Y134 HydrophobicContact CD1-CE2 3.69Å; F132-Y134 AromaticContact CD1-CG 3.89Å; F132-Y134 HydrophobicContact CD1-CG 3.89Å; F132-Y134 AromaticContact CD1-CZ 3.53Å; F132-Y134 AromaticContact CE1-CD1 3.88Å; F132-Y134 HydrophobicContact CE1-CD1 3.88Å; F132-Y134 AromaticContact CE1-CE1 3.89Å; F132-Y134 HydrophobicContact CE1-CE1 3.89Å; F132-Y134 HydrophobicContact CE1-CG 4.33Å; F132-Y134 HydrophobicContact CG-CE1 4.17Å; F132-Y134 HydrophobicContact CG-CE2 4.03Å; F132-Y134 AromaticContact CG-CZ 3.79Å; F132-Y134 WeakPolarHBondContact O-CD2 3.5Å; F132-Y134 WeakPolarHBondContact O-CE2 3.23Å; F132-Y134 PolarHBondContact O-N 3.33Å; F132-C153 VanDerWaalsContact O-CA 3.28Å; F132-C153 WeakPolarHBondContact O-CA 3.46Å; F132-I154 PolarHBondContact N-O 2.68Å; F132-I154 PolarHBondContact O-N 2.88Å; F132-P184 HydrophobicContact CB-CB 4.17Å; F132-P184 HydrophobicContact CB-CG 4.48Å; F132-P184 HydrophobicContact CD2-CB 4.29Å; F132-P184 HydrophobicContact CD2-CG 3.86Å; F132-P184 HydrophobicContact CE2-CG 4.46Å; F132-P184 HydrophobicContact CG-CG 4.4Å; F132-P185 WeakPolarHBondContact CB-O 3.32Å; F132-D186 HydrophobicContact CD2-CB 4.07Å; F132-D186 HydrophobicContact CE2-CB 4.16Å
133Y98.8Very high97.3Very high34 Ų3435.8 Ų35.813%0.13320%0.204CC..EExtended strand (participates in β ladder)trans-83.9101.4172.8-179.7-145.5000111.7Q122 H126 A131 Q135 G151 C153Q122-Y133 HydrophobicContact CB-CD1 4.19Å; Q122-Y133 HydrophobicContact CB-CD2 3.69Å; Q122-Y133 HydrophobicContact CB-CE1 4.26Å; Q122-Y133 HydrophobicContact CB-CE2 3.76Å; Q122-Y133 HydrophobicContact CB-CG 3.92Å; Q122-Y133 VanDerWaalsContact CD-CE2 3.48Å; Q122-Y133 HydrophobicContact CG-CD2 4.24Å; Q122-Y133 HydrophobicContact CG-CE2 4.16Å; Q122-Y133 VanDerWaalsContact OE1-CZ 3.27Å; Q122-Y133 PolarHBondContact OE1-OH 2.86Å; H126-Y133 PolarHBondContact ND1-N 3.16Å; A131-Y133 PolarHBondContact O-N 2.85Å; Y133-Q135 HydrophobicContact CD1-CG 3.72Å; Y133-Q135 HydrophobicContact CD2-CG 4.21Å; Y133-Q135 HydrophobicContact CE1-CG 3.41Å; Y133-Q135 VanDerWaalsContact CE1-CG 3.41Å; Y133-Q135 VanDerWaalsContact CE1-OE1 3.3Å; Y133-Q135 HydrophobicContact CE2-CG 3.93Å; Y133-Q135 HydrophobicContact CG-CG 4.1Å; Y133-G151 VanDerWaalsContact CE2-C 3.41Å; Y133-C153 VanDerWaalsContact CB-SG 3.57Å
134Y98.7Very high97.1Very high1 Ų135.8 Ų35.80%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-82.9126.2176.6-60.8-87.6000110.3F132 D138 G151 V152 I154 D186 C187 V188 R194 L197F132-Y134 HydrophobicContact CB-CE2 3.75Å; F132-Y134 AromaticContact CD1-CD1 3.72Å; F132-Y134 HydrophobicContact CD1-CD1 3.72Å; F132-Y134 AromaticContact CD1-CD2 3.89Å; F132-Y134 HydrophobicContact CD1-CD2 3.89Å; F132-Y134 AromaticContact CD1-CE1 3.55Å; F132-Y134 HydrophobicContact CD1-CE1 3.55Å; F132-Y134 AromaticContact CD1-CE2 3.69Å; F132-Y134 HydrophobicContact CD1-CE2 3.69Å; F132-Y134 AromaticContact CD1-CG 3.89Å; F132-Y134 HydrophobicContact CD1-CG 3.89Å; F132-Y134 AromaticContact CD1-CZ 3.53Å; F132-Y134 AromaticContact CE1-CD1 3.88Å; F132-Y134 HydrophobicContact CE1-CD1 3.88Å; F132-Y134 AromaticContact CE1-CE1 3.89Å; F132-Y134 HydrophobicContact CE1-CE1 3.89Å; F132-Y134 HydrophobicContact CE1-CG 4.33Å; F132-Y134 HydrophobicContact CG-CE1 4.17Å; F132-Y134 HydrophobicContact CG-CE2 4.03Å; F132-Y134 AromaticContact CG-CZ 3.79Å; F132-Y134 WeakPolarHBondContact O-CD2 3.5Å; F132-Y134 WeakPolarHBondContact O-CE2 3.23Å; F132-Y134 PolarHBondContact O-N 3.33Å; Y134-D138 WeakPolarHBondContact CA-OD2 3.43Å; Y134-G151 CarbonylContact O-C 3.49Å; Y134-G151 WeakPolarHBondContact O-CA 3.47Å; Y134-V152 PolarHBondContact N-O 3Å; Y134-V152 PolarHBondContact O-N 2.9Å; Y134-I154 HydrophobicContact CD2-CB 4.27Å; Y134-I154 HydrophobicContact CD2-CG1 3.97Å; Y134-I154 HydrophobicContact CE2-CB 3.84Å; Y134-I154 HydrophobicContact CE2-CG1 4Å; Y134-D186 WeakPolarHBondContact CE1-OD1 3.24Å; Y134-D186 PolarHBondContact OH-OD1 3.34Å; Y134-C187 PolarHBondContact OH-N 3.14Å; Y134-V188 HydrophobicContact CD1-CB 4.41Å; Y134-V188 HydrophobicContact CE1-CB 3.7Å; Y134-V188 HydrophobicContact CE1-CG2 4.47Å; Y134-V188 WeakPolarHBondContact CE1-O 3.44Å; Y134-V188 HydrophobicContact CE2-CB 4.12Å; Y134-V188 HydrophobicContact CE2-CG2 3.99Å; Y134-V188 PolarHBondContact OH-N 3.36Å; Y134-R194 HydrophobicContact CD1-CG 4Å; Y134-R194 HydrophobicContact CE1-CG 4.35Å; Y134-L197 HydrophobicContact CD2-CD2 3.74Å; Y134-L197 HydrophobicContact CE2-CD2 4.44Å; Y134-L197 HydrophobicContact CG-CD2 3.88Å
135Q98.2Very high96.7Very high74 Ų7440.1 Ų40.135%0.34624%0.238SC..  trans-121.7164.7-176.9-65.7-179.391.600110.9Y133 S137 D138Y133-Q135 HydrophobicContact CD1-CG 3.72Å; Y133-Q135 HydrophobicContact CD2-CG 4.21Å; Y133-Q135 HydrophobicContact CE1-CG 3.41Å; Y133-Q135 VanDerWaalsContact CE1-CG 3.41Å; Y133-Q135 VanDerWaalsContact CE1-OE1 3.3Å; Y133-Q135 HydrophobicContact CE2-CG 3.93Å; Y133-Q135 HydrophobicContact CG-CG 4.1Å; Q135-S137 PolarHBondContact O-N 2.97Å; Q135-S137 VanDerWaalsContact O-N 3.15Å; Q135-D138 PolarHBondContact N-OD2 2.95Å; Q135-D138 WeakPolarHBondContact O-CB 3.37Å; Q135-D138 PolarHBondContact O-N 3.45Å
136Q97.1Very high96.3Very high41 Ų4149.7 Ų49.719%0.19228%0.283CS..G310 helixtrans-52-36.5173.5-175.9168.9-12.200112.4D138 V139 Q142 W144 M149Q136-D138 PolarHBondContact O-N 3.29Å; Q136-V139 PolarHBondContact O-N 3.4Å; Q136-Q142 HydrophobicContact CG-CG 4.49Å; Q136-Q142 VanDerWaalsContact CG-OE1 3.3Å; Q136-Q142 PolarHBondContact O-NE2 3.02Å; Q136-W144 HydrophobicContact CG-CE3 4.17Å; Q136-W144 HydrophobicContact CG-CZ3 4.17Å; Q136-M149 HydrophobicContact CB-CB 4.13Å; Q136-M149 HydrophobicContact CG-CB 4.27Å
137S95.8Very high96Very high85 Ų8554.6 Ų54.659%0.59430%0.3SS*.G310 helixtrans-65.2-18.2177.152.50000114.6Q135 V139Q135-S137 PolarHBondContact O-N 2.97Å; Q135-S137 VanDerWaalsContact O-N 3.15Å; S137-V139 PolarHBondContact O-N 3.34Å
138D96.4Very high95.9Very high45 Ų4561.6 Ų61.624%0.24133%0.33CS..G310 helixtrans-85.33-178.6-55.4-36.9000112.7Y134 Q135 Q136 R194Y134-D138 WeakPolarHBondContact CA-OD2 3.43Å; Q135-D138 PolarHBondContact N-OD2 2.95Å; Q135-D138 WeakPolarHBondContact O-CB 3.37Å; Q135-D138 PolarHBondContact O-N 3.45Å; Q136-D138 PolarHBondContact O-N 3.29Å; D138-R194 WeakPolarHBondContact O-CD 3.42Å; D138-R194 PolarHBondContact O-NH1 2.77Å
139V97.1Very high95.8Very high3 Ų361.7 Ų61.72%0.01833%0.33CS..SBendtrans-115.7109.9175.2177.90000109Q136 S137 Q142 W144 R191 R194 I195 L198Q136-V139 PolarHBondContact O-N 3.4Å; S137-V139 PolarHBondContact O-N 3.34Å; V139-Q142 WeakPolarHBondContact O-CG 3.35Å; V139-W144 HydrophobicContact CB-CH2 4Å; V139-W144 HydrophobicContact CB-CZ3 3.99Å; V139-W144 HydrophobicContact CG1-CH2 4Å; V139-W144 HydrophobicContact CG1-CZ3 4.1Å; V139-W144 HydrophobicContact CG2-CH2 3.84Å; V139-W144 HydrophobicContact CG2-CZ3 4.27Å; V139-R191 HydrophobicContact CG1-CG 4.16Å; V139-R194 HydrophobicContact CG2-CB 3.67Å; V139-I195 HydrophobicContact CG1-CD1 3.96Å; V139-I195 HydrophobicContact CG1-CG1 3.63Å; V139-I195 HydrophobicContact CG2-CG1 4.34Å; V139-L198 HydrophobicContact CG2-CD1 4.09Å
140A93.9Very high95.8Very high67 Ų6766.8 Ų66.855%0.55435%0.349SS*.SBendtrans-67150.5170.200000111Q142 R191A140-Q142 PolarHBondContact O-N 3.27Å; A140-R191 PolarHBondContact O-NE 2.92Å; A140-R191 PolarHBondContact O-NH2 3.15Å
141D93.8Very high95.8Very high146 Ų14667 Ų6778%0.78135%0.351SS*.SBendtrans49.158.7180-54.2-43000112.2R191D141-R191 PolarHBondContact O-NH2 2.96Å
142Q92.3Very high95.8Very high79 Ų7967.2 Ų67.237%0.36935%0.352SS..  trans-56.8129.1-169.2-64.3171.710.900112.2Q136 V139 A140 W144Q136-Q142 HydrophobicContact CG-CG 4.49Å; Q136-Q142 VanDerWaalsContact CG-OE1 3.3Å; Q136-Q142 PolarHBondContact O-NE2 3.02Å; V139-Q142 WeakPolarHBondContact O-CG 3.35Å; A140-Q142 PolarHBondContact O-N 3.27Å; Q142-W144 VanDerWaalsContact C-N 3.26Å; Q142-W144 HydrophobicContact CB-CE3 3.97Å; Q142-W144 HydrophobicContact CB-CZ3 4.31Å; Q142-W144 HydrophobicContact CG-CE3 4.32Å; Q142-W144 HydrophobicContact CG-CZ3 4.26Å; Q142-W144 PolarHBondContact O-N 3.35Å
143P94.8Very high95.8Very high71 Ų7166 Ų6646%0.46135%0.348SS..THydrogen-bonded Turntrans-81.1-0.9-177.133.8-36.9000113.9I195P143-I195 HydrophobicContact CG-CD1 4.01Å; P143-I195 HydrophobicContact CG-CG1 4.16Å; P143-I195 HydrophobicContact CG-CG2 4.18Å
144W95.3Very high95.8Very high17 Ų1764.4 Ų64.46%0.06434%0.341CS..THydrogen-bonded Turntrans-975.2-167.7-52.1-63.2000115Q136 V139 Q142 E146 R147 M149 I195 L198 E199Q136-W144 HydrophobicContact CG-CE3 4.17Å; Q136-W144 HydrophobicContact CG-CZ3 4.17Å; V139-W144 HydrophobicContact CB-CH2 4Å; V139-W144 HydrophobicContact CB-CZ3 3.99Å; V139-W144 HydrophobicContact CG1-CH2 4Å; V139-W144 HydrophobicContact CG1-CZ3 4.1Å; V139-W144 HydrophobicContact CG2-CH2 3.84Å; V139-W144 HydrophobicContact CG2-CZ3 4.27Å; Q142-W144 VanDerWaalsContact C-N 3.26Å; Q142-W144 HydrophobicContact CB-CE3 3.97Å; Q142-W144 HydrophobicContact CB-CZ3 4.31Å; Q142-W144 HydrophobicContact CG-CE3 4.32Å; Q142-W144 HydrophobicContact CG-CZ3 4.26Å; Q142-W144 PolarHBondContact O-N 3.35Å; W144-E146 PolarHBondContact O-N 3.49Å; W144-R147 HydrophobicContact CB-CB 4.24Å; W144-R147 WeakPolarHBondContact O-CB 3.3Å; W144-R147 PolarHBondContact O-N 2.95Å; W144-M149 HydrophobicContact CB-CG 4.18Å; W144-M149 HydrophobicContact CB-SD 4.49Å; W144-M149 HydrophobicContact CD2-CE 4.37Å; W144-M149 HydrophobicContact CD2-CG 3.57Å; W144-M149 HydrophobicContact CD2-SD 4.24Å; W144-M149 HydrophobicContact CE3-CG 3.71Å; W144-M149 HydrophobicContact CG-CG 3.79Å; W144-M149 HydrophobicContact CG-SD 4.02Å; W144-M149 HydrophobicContact CZ2-CE 4.35Å; W144-M149 HydrophobicContact CZ3-CG 4.32Å; W144-I195 HydrophobicContact CH2-CG1 4.07Å; W144-I195 HydrophobicContact CZ2-CB 4.14Å; W144-I195 HydrophobicContact CZ2-CG1 3.96Å; W144-I195 HydrophobicContact CZ2-CG2 3.98Å; W144-L198 HydrophobicContact CH2-CB 4.15Å; W144-L198 HydrophobicContact CH2-CD1 3.58Å; W144-L198 HydrophobicContact CZ2-CB 4.06Å; W144-L198 HydrophobicContact CZ2-CD1 4.34Å; W144-L198 HydrophobicContact CZ3-CD1 4.19Å; W144-E199 HydrophobicContact CZ2-CG 4.34Å; W144-E199 PolarHBondContact NE1-OE1 3.4Å
145A89.7Confident95.8Very high91 Ų9164.4 Ų64.475%0.75234%0.341SS*.THydrogen-bonded Turntrans49-125.7-175.700000111.5R147A145-R147 VanDerWaalsContact C-N 3.29Å; A145-R147 PolarHBondContact O-N 3Å
146E90Very high95.8Very high200 Ų20063.4 Ų63.494%0.93534%0.341SS*.THydrogen-bonded Turntrans-81.6-2.1179.9-60.5-174.1173.300114W144 K148W144-E146 PolarHBondContact O-N 3.49Å; E146-K148 PolarHBondContact O-N 2.93Å
147R94Very high95.8Very high141 Ų14164 Ų6453%0.53235%0.35SS..  trans-70.6124.6-177.3-169.3177.4-168.9174.61.4110.1W144 A145 M149 F203W144-R147 HydrophobicContact CB-CB 4.24Å; W144-R147 WeakPolarHBondContact O-CB 3.3Å; W144-R147 PolarHBondContact O-N 2.95Å; A145-R147 VanDerWaalsContact C-N 3.29Å; A145-R147 PolarHBondContact O-N 3Å; R147-M149 HydrophobicContact CG-SD 4.46Å; R147-M149 PolarHBondContact O-N 3.13Å; R147-F203 VanDerWaalsContact NE-CE1 3.35Å
148K95.3Very high95.9Very high147 Ų14760.7 Ų60.764%0.63933%0.325SS*.  trans-70.7125.8172.3-176.3175-179175.40110.4E146 F150E146-K148 PolarHBondContact O-N 2.93Å; K148-F150 HydrophobicContact CD-CE1 4.39Å; K148-F150 HydrophobicContact CD-CZ 4.41Å
149M97.4Very high96Very high8 Ų858.5 Ų58.54%0.03931%0.313CS..  trans-106.8121.2173.3-60-59.9-73.500109.6Q136 W144 R147 L198 E199 N202 F203Q136-M149 HydrophobicContact CB-CB 4.13Å; Q136-M149 HydrophobicContact CG-CB 4.27Å; W144-M149 HydrophobicContact CB-CG 4.18Å; W144-M149 HydrophobicContact CB-SD 4.49Å; W144-M149 HydrophobicContact CD2-CE 4.37Å; W144-M149 HydrophobicContact CD2-CG 3.57Å; W144-M149 HydrophobicContact CD2-SD 4.24Å; W144-M149 HydrophobicContact CE3-CG 3.71Å; W144-M149 HydrophobicContact CG-CG 3.79Å; W144-M149 HydrophobicContact CG-SD 4.02Å; W144-M149 HydrophobicContact CZ2-CE 4.35Å; W144-M149 HydrophobicContact CZ3-CG 4.32Å; R147-M149 HydrophobicContact CG-SD 4.46Å; R147-M149 PolarHBondContact O-N 3.13Å; M149-L198 HydrophobicContact CE-CB 4.03Å; M149-L198 WeakPolarHBondContact CE-O 3.27Å; M149-E199 HydrophobicContact CE-CG 4.38Å; M149-N202 HydrophobicContact CE-CB 3.7Å; M149-N202 HydrophobicContact SD-CB 4.3Å; M149-F203 HydrophobicContact CE-CE1 4Å; M149-F203 HydrophobicContact CE-CE2 4.27Å; M149-F203 HydrophobicContact CE-CZ 3.59Å; M149-F203 HydrophobicContact SD-CE1 3.92Å; M149-F203 HydrophobicContact SD-CZ 3.64Å
150F97.6Very high96Very high120 Ų12058.5 Ų58.553%0.52631%0.313SS..  trans-74.9138.4172.2-62.6-78.8000109.6K148 F201 N202K148-F150 HydrophobicContact CD-CE1 4.39Å; K148-F150 HydrophobicContact CD-CZ 4.41Å; F150-F201 HydrophobicContact CB-CE1 4.17Å; F150-N202 WeakPolarHBondContact CB-OD1 3.45Å; F150-N202 WeakPolarHBondContact CD2-OD1 3.32Å; F150-N202 PolarHBondContact N-OD1 2.79Å; F150-N202 PolarHBondContact O-ND2 2.87Å
151G98.4Very high96.3Very high4 Ų455.6 Ų55.64%0.04129%0.288CS..  trans-77168.3177.700000112.9Q122 Y133 Y134 F201Q122-G151 PolarHBondContact NE2-O 2.93Å; Q122-G151 PolarHBondContact OE1-O 3.49Å; Y133-G151 VanDerWaalsContact CE2-C 3.41Å; Y134-G151 CarbonylContact O-C 3.49Å; Y134-G151 WeakPolarHBondContact O-CA 3.47Å; G151-F201 VanDerWaalsContact O-CE1 3.27Å; G151-F201 WeakPolarHBondContact O-CE1 3.14Å
152V98.8Very high96.5Very high6 Ų649.3 Ų49.34%0.03625%0.254CS..EExtended strand (participates in β ladder)trans-147139179.362.20000111Y134 I154 L197 L198 F201 Y210Y134-V152 PolarHBondContact N-O 3Å; Y134-V152 PolarHBondContact O-N 2.9Å; V152-I154 HydrophobicContact CG2-CD1 4.48Å; V152-L197 HydrophobicContact CG1-CD1 3.68Å; V152-L197 HydrophobicContact CG1-CD2 3.94Å; V152-L197 HydrophobicContact CG1-CG 3.7Å; V152-L198 HydrophobicContact CG1-CD2 4.44Å; V152-F201 HydrophobicContact CB-CB 4.39Å; V152-F201 HydrophobicContact CB-CD1 3.8Å; V152-F201 HydrophobicContact CB-CD2 4.08Å; V152-F201 HydrophobicContact CB-CE1 4.04Å; V152-F201 HydrophobicContact CB-CE2 4.31Å; V152-F201 HydrophobicContact CB-CG 3.82Å; V152-F201 HydrophobicContact CB-CZ 4.29Å; V152-F201 HydrophobicContact CG1-CB 4.18Å; V152-F201 HydrophobicContact CG1-CD1 4.31Å; V152-F201 HydrophobicContact CG1-CG 4.15Å; V152-F201 HydrophobicContact CG2-CD1 4.43Å; V152-F201 HydrophobicContact CG2-CD2 3.81Å; V152-F201 HydrophobicContact CG2-CE2 3.95Å; V152-F201 HydrophobicContact CG2-CG 4.06Å; V152-F201 HydrophobicContact CG2-CZ 4.32Å; V152-Y210 HydrophobicContact CG2-CD2 4.07Å; V152-Y210 HydrophobicContact CG2-CE2 3.78Å
153C98.8Very high96.8Very high6 Ų646.7 Ų46.74%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-83.8138.4172.1-72.40000110.8Q122 A131 F132 Y133 F162Q122-C153 VanDerWaalsContact CA-SG 3.56Å; Q122-C153 VanDerWaalsContact CB-SG 3.53Å; Q122-C153 PolarHBondContact O-SG 3.36Å; A131-C153 HydrophobicContact CB-CB 3.91Å; F132-C153 VanDerWaalsContact O-CA 3.28Å; F132-C153 WeakPolarHBondContact O-CA 3.46Å; Y133-C153 VanDerWaalsContact CB-SG 3.57Å; C153-F162 HydrophobicContact CB-CE1 4.5Å; C153-F162 HydrophobicContact CB-CZ 3.77Å
154I98.8Very high97Very high0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-120.1123.6171-57-63.5000109F132 Y134 V152 V188 L197 I213 V214F132-I154 PolarHBondContact N-O 2.68Å; F132-I154 PolarHBondContact O-N 2.88Å; Y134-I154 HydrophobicContact CD2-CB 4.27Å; Y134-I154 HydrophobicContact CD2-CG1 3.97Å; Y134-I154 HydrophobicContact CE2-CB 3.84Å; Y134-I154 HydrophobicContact CE2-CG1 4Å; V152-I154 HydrophobicContact CG2-CD1 4.48Å; I154-V188 HydrophobicContact CB-CG2 4.5Å; I154-V188 HydrophobicContact CG1-CG2 4.42Å; I154-V188 HydrophobicContact CG2-CG2 4.27Å; I154-L197 HydrophobicContact CD1-CD1 3.75Å; I154-L197 HydrophobicContact CD1-CD2 4.27Å; I154-L197 HydrophobicContact CG1-CD1 4.1Å; I154-L197 HydrophobicContact CG1-CD2 3.65Å; I154-I213 HydrophobicContact CD1-CG2 3.78Å; I154-I213 HydrophobicContact CG1-CG2 3.95Å; I154-I213 HydrophobicContact CG2-CG2 3.91Å; I154-V214 HydrophobicContact CG2-CG1 4.5Å; I154-V214 HydrophobicContact CG2-CG2 3.61Å
155H98.6Very high97.1Very high2 Ų244 Ų441%0.00923%0.227CC..BIsolated β-bridgetrans-82.5134178.4-172-92.9000109.9E25 Y27 A130 A131 S157 F158 G159 F162E25-H155 IonicContact OE2-CE1 3.3Å; E25-H155 IonicContact OE2-NE2 2.76Å; E25-H155 PolarHBondContact OE2-NE2 3.28Å; Y27-H155 PolarHBondContact OH-NE2 3.24Å; A130-H155 PolarHBondContact O-CD2 3.14Å; A130-H155 VanDerWaalsContact O-CD2 3.22Å; A131-H155 HydrophobicContact CB-CB 4.46Å; H155-S157 PolarHBondContact ND1-N 3.48Å; H155-S157 PolarHBondContact O-N 3.5Å; H155-S157 VanDerWaalsContact O-N 3.17Å; H155-F158 HydrophobicContact CB-CB 4.23Å; H155-F158 AromaticContact CE1-CD2 3.38Å; H155-F158 WeakPolarHBondContact CE1-CD2 3.25Å; H155-F158 AromaticContact CE1-CE2 3.6Å; H155-F158 AromaticContact CG-CD2 3.82Å; H155-F158 AromaticContact ND1-CD2 3.1Å; H155-F158 WeakPolarHBondContact ND1-CD2 3.17Å; H155-F158 AromaticContact ND1-CE2 3.8Å; H155-F158 AromaticContact ND1-CG 3.77Å; H155-F158 PolarHBondContact ND1-N 3.38Å; H155-F158 PolarHBondContact O-N 3.16Å; H155-G159 WeakPolarHBondContact CB-O 3.33Å; H155-G159 PolarHBondContact N-O 3.19Å; H155-G159 WeakPolarHBondContact O-CA 3.34Å; H155-G159 PolarHBondContact O-N 3.35Å; H155-F162 HydrophobicContact CB-CD1 3.57Å; H155-F162 HydrophobicContact CB-CE1 3.6Å; H155-F162 HydrophobicContact CB-CG 4.13Å; H155-F162 HydrophobicContact CB-CZ 4.15Å
156P97.4Very high97.6Very high52 Ų5239.7 Ų39.734%0.33819%0.191SC..THydrogen-bonded Turntrans-60-31.3-176.524-35.6000113.6P185P156-P185 HydrophobicContact CB-CB 4.14Å; P156-P185 HydrophobicContact CB-CG 4.28Å; P156-P185 HydrophobicContact CG-CB 4.46Å; P156-P185 HydrophobicContact CG-CG 4.14Å
157S97.5Very high98Very high53 Ų5330.1 Ų30.137%0.37115%0.147SC..THydrogen-bonded Turntrans-98.1-17.6-178-510000114.5H155 R217H155-S157 PolarHBondContact ND1-N 3.48Å; H155-S157 PolarHBondContact O-N 3.5Å; H155-S157 VanDerWaalsContact O-N 3.17Å; S157-R217 WeakPolarHBondContact O-CB 3.45Å; S157-R217 PolarHBondContact O-N 3.11Å
158F98.1Very high98.2Very high16 Ų1623.4 Ų23.47%0.0712%0.122CC..THydrogen-bonded Turntrans-127.4-0.5-171.5-57.5-61.1000113.1E25 T58 P59 H155 G160 W161 Q218E25-F158 WeakPolarHBondContact OE1-CE2 3.42Å; T58-F158 HydrophobicContact CG2-CD2 4.21Å; T58-F158 HydrophobicContact CG2-CE2 3.45Å; T58-F158 VanDerWaalsContact CG2-CE2 3.45Å; T58-F158 HydrophobicContact CG2-CZ 3.75Å; P59-F158 HydrophobicContact CG-CD1 4.28Å; H155-F158 HydrophobicContact CB-CB 4.23Å; H155-F158 AromaticContact CE1-CD2 3.38Å; H155-F158 WeakPolarHBondContact CE1-CD2 3.25Å; H155-F158 AromaticContact CE1-CE2 3.6Å; H155-F158 AromaticContact CG-CD2 3.82Å; H155-F158 AromaticContact ND1-CD2 3.1Å; H155-F158 WeakPolarHBondContact ND1-CD2 3.17Å; H155-F158 AromaticContact ND1-CE2 3.8Å; H155-F158 AromaticContact ND1-CG 3.77Å; H155-F158 PolarHBondContact ND1-N 3.38Å; H155-F158 PolarHBondContact O-N 3.16Å; F158-G160 PolarHBondContact O-N 2.95Å; F158-W161 HydrophobicContact CB-CB 4.43Å; F158-W161 WeakPolarHBondContact O-CA 3.42Å; F158-W161 VanDerWaalsContact O-CB 3.23Å; F158-W161 WeakPolarHBondContact O-CB 3.31Å; F158-W161 VanDerWaalsContact O-CD1 3.3Å; F158-W161 PolarHBondContact O-N 2.74Å; F158-Q218 HydrophobicContact CD1-CB 4.28Å; F158-Q218 HydrophobicContact CE1-CB 4.19Å
159G98.3Very high98.4Very high0 Ų016.4 Ų16.40%09%0.091CC..BIsolated β-bridgetrans56.3-129.1-168.800000111H155 W161 F162 R211H155-G159 WeakPolarHBondContact CB-O 3.33Å; H155-G159 PolarHBondContact N-O 3.19Å; H155-G159 WeakPolarHBondContact O-CA 3.34Å; H155-G159 PolarHBondContact O-N 3.35Å; G159-W161 VanDerWaalsContact C-N 3.34Å; G159-F162 WeakPolarHBondContact O-CD1 3.42Å; G159-F162 WeakPolarHBondContact O-CE1 3.49Å; G159-R211 WeakPolarHBondContact CA-O 3.46Å
160G98.2Very high98.3Very high2 Ų216.1 Ų16.12%0.0219%0.089CC..THydrogen-bonded Turntrans-86.64.3171.700000114.2F158 F162 R211F158-G160 PolarHBondContact O-N 2.95Å; G160-F162 PolarHBondContact O-N 2.69Å; G160-R211 PolarHBondContact N-O 2.93Å; G160-R211 WeakPolarHBondContact O-CD 3.49Å; G160-R211 PolarHBondContact O-NH1 3.39Å
161W98.4Very high98.1Very high7 Ų713.3 Ų13.33%0.0278%0.078CC..  trans-81.152.8-178.4-60.7101.7000113.2P59 F158 G159 W208 R211 D212 T219 Y220 R225P59-W161 WeakPolarHBondContact CD-O 3.16Å; P59-W161 HydrophobicContact CG-CB 4.13Å; P59-W161 VanDerWaalsContact CG-O 3.25Å; P59-W161 WeakPolarHBondContact CG-O 3.17Å; F158-W161 HydrophobicContact CB-CB 4.43Å; F158-W161 WeakPolarHBondContact O-CA 3.42Å; F158-W161 VanDerWaalsContact O-CB 3.23Å; F158-W161 WeakPolarHBondContact O-CB 3.31Å; F158-W161 VanDerWaalsContact O-CD1 3.3Å; F158-W161 PolarHBondContact O-N 2.74Å; G159-W161 VanDerWaalsContact C-N 3.34Å; W161-W208 HydrophobicContact CE3-CE3 4.44Å; W161-W208 HydrophobicContact CH2-CB 3.64Å; W161-W208 HydrophobicContact CH2-CD2 4.18Å; W161-W208 AromaticContact CH2-CE3 3.95Å; W161-W208 HydrophobicContact CH2-CE3 3.95Å; W161-W208 HydrophobicContact CH2-CG 4.04Å; W161-W208 HydrophobicContact CZ2-CB 4.11Å; W161-W208 HydrophobicContact CZ3-CB 4.43Å; W161-W208 HydrophobicContact CZ3-CD2 4.2Å; W161-W208 AromaticContact CZ3-CE3 3.56Å; W161-W208 HydrophobicContact CZ3-CE3 3.56Å; W161-W208 HydrophobicContact CZ3-CZ3 4.31Å; W161-R211 HydrophobicContact CD2-CB 3.86Å; W161-R211 HydrophobicContact CD2-CG 4.46Å; W161-R211 HydrophobicContact CG-CB 4.01Å; W161-R211 HydrophobicContact CZ2-CB 4.14Å; W161-D212 PolarHBondContact NE1-OD1 3.05Å; W161-T219 HydrophobicContact CD2-CG2 4.2Å; W161-T219 HydrophobicContact CG-CG2 4.03Å; W161-T219 HydrophobicContact CZ2-CG2 4.49Å; W161-Y220 HydrophobicContact CB-CD1 4.31Å; W161-Y220 HydrophobicContact CB-CE1 4.33Å; W161-Y220 AromaticContact CE3-CD1 3.84Å; W161-Y220 HydrophobicContact CE3-CD1 3.84Å; W161-Y220 AromaticContact CE3-CD2 3.67Å; W161-Y220 HydrophobicContact CE3-CD2 3.67Å; W161-Y220 HydrophobicContact CE3-CE1 4.46Å; W161-Y220 HydrophobicContact CE3-CE2 4.31Å; W161-Y220 AromaticContact CE3-CG 3.41Å; W161-Y220 HydrophobicContact CE3-CG 3.41Å; W161-Y220 VanDerWaalsContact CE3-CG 3.41Å; W161-Y220 AromaticContact CZ3-CD2 3.84Å; W161-Y220 HydrophobicContact CZ3-CD2 3.84Å; W161-Y220 AromaticContact CZ3-CG 3.79Å; W161-Y220 HydrophobicContact CZ3-CG 3.79Å; W161-Y220 WeakPolarHBondContact O-CE1 3.22Å; W161-R225 HydrophobicContact CH2-CG 4.39Å; W161-R225 HydrophobicContact CZ3-CG 4.07Å
162F98.7Very high97.7Very high14 Ų1417.3 Ų17.36%0.06110%0.099CC..  trans-151.2176.8174.778.7-72.9000109.4L56 S57 A131 C153 H155 G159 G160 I164 Y220L56-F162 HydrophobicContact CB-CD2 4.26Å; L56-F162 HydrophobicContact CD2-CD2 3.64Å; L56-F162 HydrophobicContact CD2-CE2 3.56Å; L56-F162 HydrophobicContact CG-CD2 4.21Å; L56-F162 HydrophobicContact CG-CE2 4.28Å; S57-F162 VanDerWaalsContact O-CA 3.3Å; S57-F162 WeakPolarHBondContact O-CA 3.28Å; S57-F162 WeakPolarHBondContact O-CB 3.27Å; A131-F162 HydrophobicContact CB-CE1 4.48Å; A131-F162 HydrophobicContact CB-CE2 4.25Å; A131-F162 HydrophobicContact CB-CZ 3.7Å; C153-F162 HydrophobicContact CB-CE1 4.5Å; C153-F162 HydrophobicContact CB-CZ 3.77Å; H155-F162 HydrophobicContact CB-CD1 3.57Å; H155-F162 HydrophobicContact CB-CE1 3.6Å; H155-F162 HydrophobicContact CB-CG 4.13Å; H155-F162 HydrophobicContact CB-CZ 4.15Å; G159-F162 WeakPolarHBondContact O-CD1 3.42Å; G159-F162 WeakPolarHBondContact O-CE1 3.49Å; G160-F162 PolarHBondContact O-N 2.69Å; F162-I164 HydrophobicContact CE2-CD1 4.5Å; F162-I164 HydrophobicContact CE2-CG1 3.84Å; F162-Y220 PolarHBondContact O-OH 3.42Å
163A98.6Very high97.4Very high23 Ų2317.1 Ų17.119%0.1910%0.097CC..EExtended strand (participates in β ladder)trans-144.2147.4168.600000110.6L56 S57L56-A163 CarbonylContact C-O 3.58Å; L56-A163 VanDerWaalsContact CA-O 3.27Å; L56-A163 WeakPolarHBondContact CA-O 3.15Å; S57-A163 PolarHBondContact N-O 2.87Å; S57-A163 PolarHBondContact O-N 3.07Å
164I98.8Very high97.2Very high17 Ų1720.7 Ų20.79%0.08712%0.119CC..EExtended strand (participates in β ladder)trans-85.9132.3172.7-54.4158.5000106.8V54 L56 D108 A121 Q122 A125 F162V54-I164 HydrophobicContact CG2-CG2 3.69Å; L56-I164 HydrophobicContact CG-CG1 4.49Å; D108-I164 WeakPolarHBondContact CB-O 3.07Å; D108-I164 VanDerWaalsContact CG-O 3.26Å; A121-I164 HydrophobicContact CB-CB 4.04Å; A121-I164 HydrophobicContact CB-CD1 4.2Å; A121-I164 HydrophobicContact CB-CG2 3.75Å; A121-I164 WeakPolarHBondContact O-CD1 3.48Å; Q122-I164 HydrophobicContact CG-CD1 4.17Å; A125-I164 HydrophobicContact CB-CD1 3.51Å; A125-I164 HydrophobicContact CB-CG1 3.96Å; F162-I164 HydrophobicContact CE2-CD1 4.5Å; F162-I164 HydrophobicContact CE2-CG1 3.84Å
165R98.7Very high96.8Very high15 Ų1520.8 Ų20.86%0.05712%0.12CC..EExtended strand (participates in β ladder)trans-119-39.8-165.5-66-54.6-174.1177.4-0.7114.5F24 V55 S57 V86 F107 D108F24-R165 HydrophobicContact CE1-CG 4.32Å; V55-R165 PolarHBondContact O-N 3.36Å; S57-R165 PolarHBondContact OG-NE 3.11Å; S57-R165 PolarHBondContact OG-NH2 2.9Å; V86-R165 HydrophobicContact CG1-CB 3.83Å; V86-R165 HydrophobicContact CG1-CG 4.27Å; V86-R165 HydrophobicContact CG2-CG 4.36Å; F107-R165 WeakPolarHBondContact CA-O 3.38Å; D108-R165 PolarHBondContact N-O 3.01Å; D108-R165 VanDerWaalsContact OD1-O 3.05Å
166A98.8Very high96.3Very high0 Ų022.4 Ų22.40%014%0.137CC..EExtended strand (participates in β ladder)trans-153.8158.5-177.800000112.3V54 V55 R106 F107 L168V54-A166 WeakPolarHBondContact CA-O 3.46Å; V55-A166 HydrophobicContact CB-CB 4.3Å; V55-A166 PolarHBondContact N-O 3.3Å; V55-A166 PolarHBondContact O-N 3.44Å; R106-A166 CarbonylContact O-C 3.51Å; R106-A166 WeakPolarHBondContact O-CA 3.46Å; R106-A166 WeakPolarHBondContact O-CB 3.34Å; F107-A166 HydrophobicContact CD1-CB 4.06Å; F107-A166 HydrophobicContact CE1-CB 4.34Å; A166-L168 HydrophobicContact CB-CD1 4.24Å
167L98.8Very high95.8Very high0 Ų025.4 Ų25.40%016%0.159CC..EExtended strand (participates in β ladder)trans-120.9124.6162.9-176.171.8000108L29 L44 A52 V53 V54 R106 F119 A124 V169L29-L167 HydrophobicContact CD2-CD1 3.99Å; L44-L167 HydrophobicContact CD1-CD2 3.57Å; A52-L167 HydrophobicContact CB-CD1 4.03Å; V53-L167 WeakPolarHBondContact O-CA 3.26Å; V54-L167 HydrophobicContact CB-CD1 4.39Å; R106-L167 PolarHBondContact N-O 2.75Å; R106-L167 PolarHBondContact O-N 3.21Å; F119-L167 HydrophobicContact CB-CD2 4.05Å; F119-L167 HydrophobicContact CD1-CB 4.2Å; F119-L167 HydrophobicContact CD2-CB 3.75Å; F119-L167 HydrophobicContact CD2-CD2 4Å; F119-L167 HydrophobicContact CD2-CG 4.44Å; F119-L167 HydrophobicContact CE1-CB 4.14Å; F119-L167 HydrophobicContact CE2-CB 3.67Å; F119-L167 HydrophobicContact CG-CB 4.02Å; F119-L167 HydrophobicContact CG-CD2 4.07Å; F119-L167 HydrophobicContact CZ-CB 3.89Å; A124-L167 HydrophobicContact CB-CD1 4.31Å; L167-V169 HydrophobicContact CD2-CG2 4.37Å; L167-V169 HydrophobicContact CG-CG2 4.39Å
168L98.7Very high95.4Very high0 Ų028.6 Ų28.60%017%0.168CC..EExtended strand (participates in β ladder)trans-106.7123.2177-61.584.2000107.7L15 A52 V53 V55 V90 V94 V103 D104 V105 A166 F170L15-L168 HydrophobicContact CD1-CD2 4.44Å; L15-L168 HydrophobicContact CD2-CD2 4.38Å; A52-L168 CarbonylContact C-O 3.48Å; A52-L168 WeakPolarHBondContact CA-O 3.45Å; A52-L168 WeakPolarHBondContact CB-O 3.48Å; V53-L168 HydrophobicContact CB-CB 4.44Å; V53-L168 PolarHBondContact N-O 3.14Å; V53-L168 WeakPolarHBondContact O-CD1 2.99Å; V53-L168 PolarHBondContact O-N 2.79Å; V55-L168 HydrophobicContact CB-CD1 4.41Å; V55-L168 HydrophobicContact CG2-CD1 3.24Å; V90-L168 HydrophobicContact CG1-CD1 4.44Å; V90-L168 HydrophobicContact CG1-CD2 4.18Å; V90-L168 HydrophobicContact CG1-CG 4.48Å; V94-L168 HydrophobicContact CG2-CD2 3.32Å; V103-L168 HydrophobicContact CG1-CB 3.95Å; V103-L168 HydrophobicContact CG1-CD2 4.21Å; V103-L168 HydrophobicContact CG1-CG 4.47Å; D104-L168 CarbonylContact O-C 3.47Å; D104-L168 WeakPolarHBondContact O-CA 3.22Å; V105-L168 HydrophobicContact CG2-CD2 4.42Å; V105-L168 HydrophobicContact CG2-CG 4.34Å; A166-L168 HydrophobicContact CB-CD1 4.24Å; L168-F170 HydrophobicContact CB-CE2 3.95Å
169V98.3Very high95.2Very high0 Ų029 Ų290%017%0.171CC..EExtended strand (participates in β ladder)trans-109.7122.8174.1-171.30000109.1V31 L44 Y46 A52 V103 D104 L167 E171V31-V169 HydrophobicContact CG2-CG1 4.14Å; L44-V169 HydrophobicContact CD1-CG2 4.45Å; Y46-V169 HydrophobicContact CD1-CG1 4.2Å; Y46-V169 HydrophobicContact CD2-CB 4.23Å; Y46-V169 HydrophobicContact CD2-CG1 3.62Å; Y46-V169 HydrophobicContact CD2-CG2 4.17Å; Y46-V169 HydrophobicContact CE1-CG1 4.34Å; Y46-V169 HydrophobicContact CE2-CB 3.84Å; Y46-V169 HydrophobicContact CE2-CG1 3.7Å; Y46-V169 HydrophobicContact CE2-CG2 3.83Å; Y46-V169 HydrophobicContact CG-CG1 3.86Å; A52-V169 HydrophobicContact CB-CG2 4.15Å; V103-V169 WeakPolarHBondContact CA-O 3.27Å; D104-V169 PolarHBondContact N-O 2.74Å; D104-V169 PolarHBondContact O-N 3.26Å; L167-V169 HydrophobicContact CD2-CG2 4.37Å; L167-V169 HydrophobicContact CG-CG2 4.39Å; V169-E171 PolarHBondContact O-N 2.94Å
170F97.1Very high95Very high1 Ų134.3 Ų34.30%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-9298.3-179.9-69.5-101.1000108.4V11 L15 L51 V53 F98 L101 V103 L168 D172 V173V11-F170 HydrophobicContact CG1-CD1 4.29Å; V11-F170 HydrophobicContact CG1-CD2 4.14Å; V11-F170 HydrophobicContact CG1-CE1 3.69Å; V11-F170 HydrophobicContact CG1-CE2 3.53Å; V11-F170 HydrophobicContact CG1-CZ 3.29Å; V11-F170 HydrophobicContact CG2-CD1 4.21Å; V11-F170 HydrophobicContact CG2-CE1 4.15Å; L15-F170 HydrophobicContact CD1-CE2 4.37Å; L15-F170 HydrophobicContact CD1-CZ 3.99Å; L51-F170 HydrophobicContact CG-CD2 4.44Å; L51-F170 PolarHBondContact O-N 3.15Å; V53-F170 HydrophobicContact CB-CE2 4.36Å; V53-F170 HydrophobicContact CG2-CD2 4.38Å; V53-F170 HydrophobicContact CG2-CE2 3.79Å; F98-F170 HydrophobicContact CD1-CE1 4.44Å; F98-F170 AromaticContact CD2-CE1 3.72Å; F98-F170 HydrophobicContact CD2-CE1 3.72Å; F98-F170 HydrophobicContact CD2-CZ 4.17Å; F98-F170 AromaticContact CE2-CE1 3.83Å; F98-F170 HydrophobicContact CE2-CE1 3.83Å; F98-F170 AromaticContact CE2-CZ 3.92Å; F98-F170 HydrophobicContact CE2-CZ 3.92Å; F98-F170 HydrophobicContact CG-CE1 4.05Å; F98-F170 HydrophobicContact CZ-CE1 4.25Å; F98-F170 HydrophobicContact CZ-CZ 4.44Å; L101-F170 HydrophobicContact CD1-CD1 4.04Å; L101-F170 HydrophobicContact CD1-CE1 4.38Å; V103-F170 HydrophobicContact CG1-CE1 4.34Å; V103-F170 HydrophobicContact CG1-CE2 4.35Å; V103-F170 HydrophobicContact CG1-CZ 4.21Å; V103-F170 HydrophobicContact CG2-CD1 3.67Å; V103-F170 HydrophobicContact CG2-CE1 3.59Å; V103-F170 HydrophobicContact CG2-CG 4.39Å; V103-F170 HydrophobicContact CG2-CZ 4.24Å; L168-F170 HydrophobicContact CB-CE2 3.95Å; F170-D172 PolarHBondContact O-N 3.47Å; F170-V173 HydrophobicContact CB-CB 3.7Å; F170-V173 HydrophobicContact CB-CG2 3.76Å; F170-V173 HydrophobicContact CD1-CG2 4.37Å; F170-V173 HydrophobicContact CG-CG2 4.45Å; F170-V173 PolarHBondContact O-N 3.46Å; F170-V173 VanDerWaalsContact O-N 3.15Å
171E93.1Very high94.8Very high62 Ų6238.7 Ų38.729%0.2922%0.219SC..EExtended strand (participates in β ladder)trans-62.2-32.3-166.5-63.5-168.9-156.300113.3Y46 K102 V169Y46-E171 HydrophobicContact CE1-CG 3.82Å; K102-E171 HydrophobicContact CB-CB 4.4Å; K102-E171 HydrophobicContact CD-CB 4.5Å; K102-E171 HydrophobicContact CD-CG 4.39Å; K102-E171 WeakPolarHBondContact CD-OE2 3.47Å; K102-E171 VanDerWaalsContact CE-CD 3.41Å; K102-E171 WeakPolarHBondContact CE-OE1 3.37Å; K102-E171 VanDerWaalsContact CE-OE2 3.23Å; K102-E171 WeakPolarHBondContact CE-OE2 3.27Å; K102-E171 HydrophobicContact CG-CG 4.32Å; K102-E171 VanDerWaalsContact NZ-CD 3.31Å; K102-E171 IonicContact NZ-OE1 2.78Å; K102-E171 PolarHBondContact NZ-OE1 3.32Å; K102-E171 IonicContact NZ-OE2 3.58Å; K102-E171 PolarHBondContact NZ-OE2 3.05Å; K102-E171 PolarHBondContact O-N 2.92Å; V169-E171 PolarHBondContact O-N 2.94Å
172D89.2Confident94.6Very high88 Ų8840.7 Ų40.747%0.47123%0.233SC..EExtended strand (participates in β ladder)trans-101.27.8-176.6-57.8-58.3000113.2F170F170-D172 PolarHBondContact O-N 3.47Å
173V93.1Very high94.4Very high2 Ų247.2 Ų47.21%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-112.6114.4-178.3-176.40000110.1A6 L51 L101 F170A6-V173 HydrophobicContact CB-CG1 4.27Å; A6-V173 HydrophobicContact CB-CG2 3.94Å; A6-V173 VanDerWaalsContact O-CG1 3.28Å; A6-V173 WeakPolarHBondContact O-CG1 3.05Å; L51-V173 HydrophobicContact CB-CB 4.26Å; L51-V173 HydrophobicContact CB-CG1 3.93Å; L51-V173 HydrophobicContact CD2-CG1 3.82Å; L51-V173 PolarHBondContact N-O 2.64Å; L101-V173 HydrophobicContact CD1-CG2 4.11Å; F170-V173 HydrophobicContact CB-CB 3.7Å; F170-V173 HydrophobicContact CB-CG2 3.76Å; F170-V173 HydrophobicContact CD1-CG2 4.37Å; F170-V173 HydrophobicContact CG-CG2 4.45Å; F170-V173 PolarHBondContact O-N 3.46Å; F170-V173 VanDerWaalsContact O-N 3.15Å
174T93.1Very high94.2Very high80 Ų8046.6 Ų46.649%0.49126%0.263SS..EExtended strand (participates in β ladder)trans-108.3143.5176.750.90000110.3D49D49-T174 CarbonylContact O-C 3.55Å; D49-T174 WeakPolarHBondContact O-CA 3.35Å
175V91.9Very high94.1Very high2 Ų248.7 Ų48.71%0.01228%0.277CS..  trans-128.1121.9-175.7-70.70000111V8 K30 D49 L51 E178 L179V8-V175 HydrophobicContact CG2-CB 4.22Å; V8-V175 HydrophobicContact CG2-CG1 3.46Å; V8-V175 VanDerWaalsContact CG2-CG1 3.46Å; K30-V175 HydrophobicContact CD-CG2 4.2Å; K30-V175 WeakPolarHBondContact CE-O 3.3Å; K30-V175 HydrophobicContact CG-CG2 3.83Å; K30-V175 PolarHBondContact NZ-O 3.27Å; D49-V175 VanDerWaalsContact O-CG2 3.26Å; D49-V175 WeakPolarHBondContact O-CG2 3.33Å; D49-V175 PolarHBondContact O-N 2.95Å; L51-V175 HydrophobicContact CB-CG1 3.98Å; L51-V175 HydrophobicContact CB-CG2 4.22Å; L51-V175 HydrophobicContact CD1-CG1 4.23Å; L51-V175 HydrophobicContact CD1-CG2 4.45Å; L51-V175 HydrophobicContact CD2-CG1 4.38Å; L51-V175 HydrophobicContact CG-CG1 4.42Å; V175-E178 VanDerWaalsContact CA-OE1 3.32Å; V175-E178 WeakPolarHBondContact CA-OE1 3.41Å; V175-L179 HydrophobicContact CB-CB 4.35Å; V175-L179 HydrophobicContact CB-CD2 4.38Å; V175-L179 HydrophobicContact CG2-CD2 3.89Å
176G87.8Confident94.1Very high36 Ų3651.4 Ų51.437%0.37129%0.293SS..  trans-85.6-153.9-178.400000112.6K30 E178 L179K30-G176 WeakPolarHBondContact CE-O 3.44Å; K30-G176 PolarHBondContact NZ-O 3.25Å; G176-E178 WeakPolarHBondContact CA-OE2 3.38Å; G176-E178 VanDerWaalsContact N-CD 3.27Å; G176-E178 PolarHBondContact N-OE1 3.12Å; G176-E178 PolarHBondContact N-OE2 3.4Å; G176-E178 VanDerWaalsContact N-OE2 3.12Å; G176-E178 PolarHBondContact O-N 3.25Å; G176-E178 VanDerWaalsContact O-N 3.1Å; G176-L179 PolarHBondContact O-N 3.42Å
177S87.3Confident94Very high115 Ų11553.2 Ų53.280%0.80431%0.305SS*.THydrogen-bonded Turntrans-64.8-10.2-176.750.70000114.8L179S177-L179 VanDerWaalsContact C-N 3.27Å; S177-L179 PolarHBondContact O-N 3.42Å
178E88.6Confident93.9Very high121 Ų12153.4 Ų53.457%0.56531%0.306SS*.THydrogen-bonded Turntrans-65.4-28.6176.471.5-73.9173.100113.2V175 G176V175-E178 VanDerWaalsContact CA-OE1 3.32Å; V175-E178 WeakPolarHBondContact CA-OE1 3.41Å; G176-E178 WeakPolarHBondContact CA-OE2 3.38Å; G176-E178 VanDerWaalsContact N-CD 3.27Å; G176-E178 PolarHBondContact N-OE1 3.12Å; G176-E178 PolarHBondContact N-OE2 3.4Å; G176-E178 VanDerWaalsContact N-OE2 3.12Å; G176-E178 PolarHBondContact O-N 3.25Å; G176-E178 VanDerWaalsContact O-N 3.1Å
179L93.3Very high93.6Very high23 Ų2356.8 Ų56.812%0.1233%0.334CS..SBendtrans-94104.7174.6-174.559000109.6V8 P28 K30 W33 L51 V175 G176 S177V8-L179 HydrophobicContact CG1-CD1 4.31Å; V8-L179 HydrophobicContact CG2-CB 4.12Å; V8-L179 HydrophobicContact CG2-CD1 4.37Å; V8-L179 HydrophobicContact CG2-CD2 4.19Å; V8-L179 HydrophobicContact CG2-CG 4.42Å; P28-L179 HydrophobicContact CB-CD1 4.22Å; P28-L179 HydrophobicContact CB-CD2 4.29Å; P28-L179 HydrophobicContact CG-CD1 4.09Å; K30-L179 WeakPolarHBondContact CE-O 3.42Å; K30-L179 HydrophobicContact CG-CD2 3.92Å; W33-L179 HydrophobicContact CH2-CD1 4.23Å; W33-L179 HydrophobicContact CH2-CD2 4.07Å; W33-L179 HydrophobicContact CH2-CG 3.6Å; W33-L179 HydrophobicContact CZ2-CG 4.21Å; W33-L179 WeakPolarHBondContact CZ2-O 3.42Å; W33-L179 HydrophobicContact CZ3-CD2 4.48Å; W33-L179 HydrophobicContact CZ3-CG 4.37Å; L51-L179 HydrophobicContact CD1-CD2 4.13Å; V175-L179 HydrophobicContact CB-CB 4.35Å; V175-L179 HydrophobicContact CB-CD2 4.38Å; V175-L179 HydrophobicContact CG2-CD2 3.89Å; G176-L179 PolarHBondContact O-N 3.42Å; S177-L179 VanDerWaalsContact C-N 3.27Å; S177-L179 PolarHBondContact O-N 3.42Å
180V93.7Very high93.5Very high113 Ų11359.2 Ų59.269%0.68535%0.351SS*.PPolyproline II helixtrans-93.1136179.1-178.80000109.9W33 P182W33-V180 WeakPolarHBondContact CH2-O 3.4Å; V180-P182 VanDerWaalsContact O-CD 3.29Å; V180-P182 WeakPolarHBondContact O-CD 3.34Å
181R94.9Very high93.5Very high94 Ų9464.5 Ų64.536%0.35537%0.371SS..PPolyproline II helixtrans-65.7118.8178.9-176173.9168.1173.2-4.7109.7W33W33-R181 HydrophobicContact CD2-CB 3.89Å; W33-R181 HydrophobicContact CD2-CG 3.95Å; W33-R181 HydrophobicContact CE3-CB 4.13Å; W33-R181 HydrophobicContact CE3-CG 3.99Å; W33-R181 HydrophobicContact CG-CG 4.35Å; W33-R181 HydrophobicContact CH2-CB 3.89Å; W33-R181 VanDerWaalsContact CH2-N 3.29Å; W33-R181 VanDerWaalsContact CZ2-CA 3.48Å; W33-R181 HydrophobicContact CZ2-CB 3.66Å; W33-R181 VanDerWaalsContact CZ2-N 3.25Å; W33-R181 HydrophobicContact CZ3-CB 4.13Å; W33-R181 HydrophobicContact CZ3-CG 4.3Å
182P95Very high93.8Very high49 Ų4963.7 Ų63.732%0.31838%0.379SS..PPolyproline II helixtrans-76.9148.5173.832.2-33.8000110.5S128 V180S128-P182 VanDerWaalsContact C-CG 3.48Å; S128-P182 VanDerWaalsContact O-CG 3.23Å; S128-P182 WeakPolarHBondContact O-CG 3.36Å; V180-P182 VanDerWaalsContact O-CD 3.29Å; V180-P182 WeakPolarHBondContact O-CD 3.34Å
183D93.6Very high94.2Very high150 Ų15062.9 Ų62.980%0.80238%0.375SS*.PPolyproline II helixtrans-82.8123.6162.8-69.3-39.4000108.4
184P95.7Very high94.4Very high11 Ų1164.8 Ų64.87%0.07138%0.382CS..PPolyproline II helixtrans-63.7141.4175.725.9-32.3000110H126 F132 D186H126-P184 WeakPolarHBondContact NE2-CG 3.46Å; H126-P184 WeakPolarHBondContact O-CG 3.31Å; F132-P184 HydrophobicContact CB-CB 4.17Å; F132-P184 HydrophobicContact CB-CG 4.48Å; F132-P184 HydrophobicContact CD2-CB 4.29Å; F132-P184 HydrophobicContact CD2-CG 3.86Å; F132-P184 HydrophobicContact CE2-CG 4.46Å; F132-P184 HydrophobicContact CG-CG 4.4Å; P184-D186 PolarHBondContact O-N 3.17Å; P184-D186 VanDerWaalsContact O-N 3.15Å
185P96.4Very high94.7Very high60 Ų6062 Ų6239%0.3936%0.364SS..PPolyproline II helixtrans-62.8117-179.7-2636.2000113.1F132 P156 C187F132-P185 WeakPolarHBondContact CB-O 3.32Å; P156-P185 HydrophobicContact CB-CB 4.14Å; P156-P185 HydrophobicContact CB-CG 4.28Å; P156-P185 HydrophobicContact CG-CB 4.46Å; P156-P185 HydrophobicContact CG-CG 4.14Å; P185-C187 VanDerWaalsContact C-N 3.26Å; P185-C187 PolarHBondContact O-N 2.97Å
186D97.5Very high95Very high72 Ų7268.3 Ų68.339%0.38539%0.391SS..  trans-72.680.3170.9-175.58.8000110.2F132 Y134 P184 V188 R194F132-D186 HydrophobicContact CD2-CB 4.07Å; F132-D186 HydrophobicContact CE2-CB 4.16Å; Y134-D186 WeakPolarHBondContact CE1-OD1 3.24Å; Y134-D186 PolarHBondContact OH-OD1 3.34Å; P184-D186 PolarHBondContact O-N 3.17Å; P184-D186 VanDerWaalsContact O-N 3.15Å; D186-V188 VanDerWaalsContact C-N 3.34Å; D186-R194 IonicContact OD1-NH2 3.74Å; D186-R194 PolarHBondContact OD1-NH2 2.81Å; D186-R194 IonicContact OD2-NH2 3.83Å; D186-R194 PolarHBondContact OD2-NH2 3.38Å
187C97.1Very high95.5Very high39 Ų3966.6 Ų66.626%0.26437%0.374SS..  trans-82.4-6-179.953.40000114.1Y134 P185 V214Y134-C187 PolarHBondContact OH-N 3.14Å; P185-C187 VanDerWaalsContact C-N 3.26Å; P185-C187 PolarHBondContact O-N 2.97Å; C187-V214 HydrophobicContact CB-CG1 4.12Å; C187-V214 WeakPolarHBondContact O-CG1 3.31Å
188V97.5Very high96Very high4 Ų461.1 Ų61.12%0.02434%0.335CS..  trans-126.769.1176.6-169.30000108.4Y134 I154 D186 D193 R194 L197 I213 V214Y134-V188 HydrophobicContact CD1-CB 4.41Å; Y134-V188 HydrophobicContact CE1-CB 3.7Å; Y134-V188 HydrophobicContact CE1-CG2 4.47Å; Y134-V188 WeakPolarHBondContact CE1-O 3.44Å; Y134-V188 HydrophobicContact CE2-CB 4.12Å; Y134-V188 HydrophobicContact CE2-CG2 3.99Å; Y134-V188 PolarHBondContact OH-N 3.36Å; I154-V188 HydrophobicContact CB-CG2 4.5Å; I154-V188 HydrophobicContact CG1-CG2 4.42Å; I154-V188 HydrophobicContact CG2-CG2 4.27Å; D186-V188 VanDerWaalsContact C-N 3.34Å; V188-D193 HydrophobicContact CG1-CB 3.55Å; V188-R194 HydrophobicContact CG1-CG 4.09Å; V188-R194 VanDerWaalsContact O-CG 3.28Å; V188-R194 WeakPolarHBondContact O-CG 3.33Å; V188-R194 PolarHBondContact O-NE 2.89Å; V188-L197 HydrophobicContact CG1-CD2 4.4Å; V188-L197 HydrophobicContact CG2-CD2 4.28Å; V188-I213 HydrophobicContact CG1-CG1 3.98Å; V188-I213 HydrophobicContact CG2-CG1 4.05Å; V188-I213 HydrophobicContact CG2-CG2 3.89Å; V188-V214 HydrophobicContact CG2-CG1 3.93Å
189A91.8Very high96.5Very high70 Ų7058.6 Ų58.658%0.57932%0.323SS*.  trans-73.7-31.5-167.800000114
190S96.7Very high96.7Very high51 Ų5158.1 Ų58.136%0.35732%0.322SS..SBendtrans-81141.5-173.397.10000111.9G192 D193 R194S190-G192 PolarHBondContact O-N 3.32Å; S190-D193 WeakPolarHBondContact CB-OD2 3.33Å; S190-D193 PolarHBondContact O-N 2.72Å; S190-D193 WeakPolarHBondContact OG-CB 3.44Å; S190-D193 PolarHBondContact OG-N 2.9Å; S190-D193 PolarHBondContact OG-OD2 3.19Å; S190-R194 WeakPolarHBondContact O-CG 3.39Å; S190-R194 PolarHBondContact O-N 3.35Å
191R97.3Very high96.9Very high113 Ų11355 Ų5543%0.42630%0.3SS..Hα-helixtrans-55.1-41.3173.7-179.3-176.8171.8-82.7-0.1111.8V139 A140 D141 R194 I195V139-R191 HydrophobicContact CG1-CG 4.16Å; A140-R191 PolarHBondContact O-NE 2.92Å; A140-R191 PolarHBondContact O-NH2 3.15Å; D141-R191 PolarHBondContact O-NH2 2.96Å; R191-R194 PolarHBondContact O-N 3.29Å; R191-I195 HydrophobicContact CG-CD1 4.13Å; R191-I195 WeakPolarHBondContact O-CG1 3.28Å; R191-I195 PolarHBondContact O-N 2.95Å
192G97.9Very high97.1Very high45 Ų4552.1 Ų52.146%0.46429%0.291SS..Hα-helixtrans-62.1-43.5179.400000112.1S190 I195 K196S190-G192 PolarHBondContact O-N 3.32Å; G192-I195 PolarHBondContact O-N 2.86Å; G192-K196 WeakPolarHBondContact O-CB 3.32Å; G192-K196 PolarHBondContact O-N 3.38Å
193D97.9Very high97.2Very high71 Ų7152.7 Ų52.738%0.3829%0.289SS..Hα-helixtrans-71.5-34.7178.8-62.4-43.5000112.1V188 S190 I195 K196 L197 I213V188-D193 HydrophobicContact CG1-CB 3.55Å; S190-D193 WeakPolarHBondContact CB-OD2 3.33Å; S190-D193 PolarHBondContact O-N 2.72Å; S190-D193 WeakPolarHBondContact OG-CB 3.44Å; S190-D193 PolarHBondContact OG-N 2.9Å; S190-D193 PolarHBondContact OG-OD2 3.19Å; D193-I195 VanDerWaalsContact C-N 3.34Å; D193-K196 PolarHBondContact O-N 3.14Å; D193-L197 WeakPolarHBondContact O-CB 3.37Å; D193-L197 PolarHBondContact O-N 3.44Å; D193-I213 HydrophobicContact CB-CD1 4.31Å
194R98.4Very high97.3Very high41 Ų4150.4 Ų50.416%0.15527%0.273CS..Hα-helixtrans-63.1-40.5172.3-68.3177-174.1-176.9-0.2112Y134 D138 V139 D186 V188 S190 R191 L197 L198Y134-R194 HydrophobicContact CD1-CG 4Å; Y134-R194 HydrophobicContact CE1-CG 4.35Å; D138-R194 WeakPolarHBondContact O-CD 3.42Å; D138-R194 PolarHBondContact O-NH1 2.77Å; V139-R194 HydrophobicContact CG2-CB 3.67Å; D186-R194 IonicContact OD1-NH2 3.74Å; D186-R194 PolarHBondContact OD1-NH2 2.81Å; D186-R194 IonicContact OD2-NH2 3.83Å; D186-R194 PolarHBondContact OD2-NH2 3.38Å; V188-R194 HydrophobicContact CG1-CG 4.09Å; V188-R194 VanDerWaalsContact O-CG 3.28Å; V188-R194 WeakPolarHBondContact O-CG 3.33Å; V188-R194 PolarHBondContact O-NE 2.89Å; S190-R194 WeakPolarHBondContact O-CG 3.39Å; S190-R194 PolarHBondContact O-N 3.35Å; R191-R194 PolarHBondContact O-N 3.29Å; R194-L197 PolarHBondContact O-N 2.9Å; R194-L198 WeakPolarHBondContact O-CB 3.48Å; R194-L198 WeakPolarHBondContact O-CG 3.15Å; R194-L198 PolarHBondContact O-N 3.47Å
195I98.3Very high97.3Very high22 Ų2256.3 Ų56.311%0.11329%0.294CS..Hα-helixtrans-61.8-53173.6-70.7164.7000109.6V139 P143 W144 R191 G192 D193 L197 L198 E199V139-I195 HydrophobicContact CG1-CD1 3.96Å; V139-I195 HydrophobicContact CG1-CG1 3.63Å; V139-I195 HydrophobicContact CG2-CG1 4.34Å; P143-I195 HydrophobicContact CG-CD1 4.01Å; P143-I195 HydrophobicContact CG-CG1 4.16Å; P143-I195 HydrophobicContact CG-CG2 4.18Å; W144-I195 HydrophobicContact CH2-CG1 4.07Å; W144-I195 HydrophobicContact CZ2-CB 4.14Å; W144-I195 HydrophobicContact CZ2-CG1 3.96Å; W144-I195 HydrophobicContact CZ2-CG2 3.98Å; R191-I195 HydrophobicContact CG-CD1 4.13Å; R191-I195 WeakPolarHBondContact O-CG1 3.28Å; R191-I195 PolarHBondContact O-N 2.95Å; G192-I195 PolarHBondContact O-N 2.86Å; D193-I195 VanDerWaalsContact C-N 3.34Å; I195-L197 VanDerWaalsContact C-N 3.27Å; I195-L197 PolarHBondContact O-N 2.77Å; I195-L198 PolarHBondContact O-N 2.89Å; I195-E199 HydrophobicContact CG2-CG 4.25Å; I195-E199 WeakPolarHBondContact O-CB 3.48Å; I195-E199 WeakPolarHBondContact O-CG 3.47Å; I195-E199 PolarHBondContact O-N 2.92Å
196K98.1Very high97.3Very high134 Ų13460 Ų6058%0.58331%0.307SS*.Hα-helixtrans-54.9-43.6178.7-177.3-177.5176-172.70112G192 D193 A200 I213G192-K196 WeakPolarHBondContact O-CB 3.32Å; G192-K196 PolarHBondContact O-N 3.38Å; D193-K196 PolarHBondContact O-N 3.14Å; K196-A200 WeakPolarHBondContact O-CB 3.33Å; K196-A200 PolarHBondContact O-N 2.84Å; K196-I213 HydrophobicContact CD-CD1 4.19Å; K196-I213 HydrophobicContact CG-CD1 4.38Å
197L98.6Very high97.3Very high1 Ų160.7 Ų60.71%0.00531%0.31CS..Hα-helixtrans-60.1-53.4176.9171.156.7000111.8Y134 V152 I154 V188 D193 R194 I195 E199 A200 F201 Y210 I213Y134-L197 HydrophobicContact CD2-CD2 3.74Å; Y134-L197 HydrophobicContact CE2-CD2 4.44Å; Y134-L197 HydrophobicContact CG-CD2 3.88Å; V152-L197 HydrophobicContact CG1-CD1 3.68Å; V152-L197 HydrophobicContact CG1-CD2 3.94Å; V152-L197 HydrophobicContact CG1-CG 3.7Å; I154-L197 HydrophobicContact CD1-CD1 3.75Å; I154-L197 HydrophobicContact CD1-CD2 4.27Å; I154-L197 HydrophobicContact CG1-CD1 4.1Å; I154-L197 HydrophobicContact CG1-CD2 3.65Å; V188-L197 HydrophobicContact CG1-CD2 4.4Å; V188-L197 HydrophobicContact CG2-CD2 4.28Å; D193-L197 WeakPolarHBondContact O-CB 3.37Å; D193-L197 PolarHBondContact O-N 3.44Å; R194-L197 PolarHBondContact O-N 2.9Å; I195-L197 VanDerWaalsContact C-N 3.27Å; I195-L197 PolarHBondContact O-N 2.77Å; L197-E199 VanDerWaalsContact C-N 3.33Å; L197-E199 PolarHBondContact O-N 2.76Å; L197-A200 PolarHBondContact O-N 3.28Å; L197-F201 WeakPolarHBondContact O-CB 3.19Å; L197-F201 PolarHBondContact O-N 2.6Å; L197-Y210 HydrophobicContact CD1-CD2 4.38Å; L197-I213 HydrophobicContact CB-CD1 4.22Å; L197-I213 HydrophobicContact CB-CG1 4.09Å; L197-I213 HydrophobicContact CD1-CB 4.25Å; L197-I213 HydrophobicContact CD1-CG1 4.5Å; L197-I213 HydrophobicContact CD1-CG2 4.03Å
198L98.5Very high97.3Very high0 Ų059.7 Ų59.70%030%0.301CS..Hα-helixtrans-66.3-37.7-176.6-70.9171.1000111.2V139 W144 M149 V152 R194 I195 N202V139-L198 HydrophobicContact CG2-CD1 4.09Å; W144-L198 HydrophobicContact CH2-CB 4.15Å; W144-L198 HydrophobicContact CH2-CD1 3.58Å; W144-L198 HydrophobicContact CZ2-CB 4.06Å; W144-L198 HydrophobicContact CZ2-CD1 4.34Å; W144-L198 HydrophobicContact CZ3-CD1 4.19Å; M149-L198 HydrophobicContact CE-CB 4.03Å; M149-L198 WeakPolarHBondContact CE-O 3.27Å; V152-L198 HydrophobicContact CG1-CD2 4.44Å; R194-L198 WeakPolarHBondContact O-CB 3.48Å; R194-L198 WeakPolarHBondContact O-CG 3.15Å; R194-L198 PolarHBondContact O-N 3.47Å; I195-L198 PolarHBondContact O-N 2.89Å; L198-N202 VanDerWaalsContact O-CB 3.29Å; L198-N202 WeakPolarHBondContact O-CB 3.29Å; L198-N202 PolarHBondContact O-N 3.15Å; L198-N202 PolarHBondContact O-ND2 3.09Å
199E98.1Very high97.2Very high68 Ų6862 Ų6232%0.31832%0.317SS..Hα-helixtrans-67-46.5174.7-67.8-174.9163.500112.1W144 M149 I195 L197 F201 N202 F203W144-E199 HydrophobicContact CZ2-CG 4.34Å; W144-E199 PolarHBondContact NE1-OE1 3.4Å; M149-E199 HydrophobicContact CE-CG 4.38Å; I195-E199 HydrophobicContact CG2-CG 4.25Å; I195-E199 WeakPolarHBondContact O-CB 3.48Å; I195-E199 WeakPolarHBondContact O-CG 3.47Å; I195-E199 PolarHBondContact O-N 2.92Å; L197-E199 VanDerWaalsContact C-N 3.33Å; L197-E199 PolarHBondContact O-N 2.76Å; E199-F201 VanDerWaalsContact C-N 3.32Å; E199-F201 PolarHBondContact O-N 3.19Å; E199-N202 PolarHBondContact O-N 2.8Å; E199-F203 HydrophobicContact CB-CD2 3.93Å; E199-F203 HydrophobicContact CB-CE2 3.92Å; E199-F203 HydrophobicContact CG-CD2 4.25Å; E199-F203 HydrophobicContact CG-CE2 3.73Å; E199-F203 WeakPolarHBondContact O-CB 3.12Å; E199-F203 WeakPolarHBondContact O-CD2 3.21Å; E199-F203 WeakPolarHBondContact O-CG 3.37Å; E199-F203 PolarHBondContact O-N 3.32Å
200A98.3Very high97.5Very high12 Ų1259.6 Ų59.610%0.09929%0.293CS..Hα-helixtrans-59.9-42.9176.400000111.4K196 L197 H204 W205K196-A200 WeakPolarHBondContact O-CB 3.33Å; K196-A200 PolarHBondContact O-N 2.84Å; L197-A200 PolarHBondContact O-N 3.28Å; A200-H204 CarbonylContact O-C 3.07Å; A200-H204 VanDerWaalsContact O-CA 3.26Å; A200-H204 WeakPolarHBondContact O-CA 3.46Å; A200-H204 PolarHBondContact O-N 3.34Å; A200-W205 PolarHBondContact O-N 3.25Å
201F98.4Very high97.6Very high47 Ų4758.7 Ų58.721%0.20628%0.282CS..Hα-helixtrans-67.7-42.6177.5179.9-112.6000112.8F150 G151 V152 L197 E199 W205 Y210F150-F201 HydrophobicContact CB-CE1 4.17Å; G151-F201 VanDerWaalsContact O-CE1 3.27Å; G151-F201 WeakPolarHBondContact O-CE1 3.14Å; V152-F201 HydrophobicContact CB-CB 4.39Å; V152-F201 HydrophobicContact CB-CD1 3.8Å; V152-F201 HydrophobicContact CB-CD2 4.08Å; V152-F201 HydrophobicContact CB-CE1 4.04Å; V152-F201 HydrophobicContact CB-CE2 4.31Å; V152-F201 HydrophobicContact CB-CG 3.82Å; V152-F201 HydrophobicContact CB-CZ 4.29Å; V152-F201 HydrophobicContact CG1-CB 4.18Å; V152-F201 HydrophobicContact CG1-CD1 4.31Å; V152-F201 HydrophobicContact CG1-CG 4.15Å; V152-F201 HydrophobicContact CG2-CD1 4.43Å; V152-F201 HydrophobicContact CG2-CD2 3.81Å; V152-F201 HydrophobicContact CG2-CE2 3.95Å; V152-F201 HydrophobicContact CG2-CG 4.06Å; V152-F201 HydrophobicContact CG2-CZ 4.32Å; L197-F201 WeakPolarHBondContact O-CB 3.19Å; L197-F201 PolarHBondContact O-N 2.6Å; E199-F201 VanDerWaalsContact C-N 3.32Å; E199-F201 PolarHBondContact O-N 3.19Å; F201-W205 WeakPolarHBondContact O-CB 3.39Å; F201-Y210 HydrophobicContact CB-CD2 4.24Å; F201-Y210 HydrophobicContact CB-CG 4.12Å; F201-Y210 HydrophobicContact CD2-CD1 4.19Å; F201-Y210 AromaticContact CD2-CD2 3.85Å; F201-Y210 HydrophobicContact CD2-CD2 3.85Å; F201-Y210 AromaticContact CD2-CE1 3.97Å; F201-Y210 HydrophobicContact CD2-CE1 3.97Å; F201-Y210 AromaticContact CD2-CE2 3.63Å; F201-Y210 HydrophobicContact CD2-CE2 3.63Å; F201-Y210 HydrophobicContact CD2-CG 4.11Å; F201-Y210 AromaticContact CD2-CZ 3.67Å; F201-Y210 HydrophobicContact CE2-CE2 4.16Å; F201-Y210 HydrophobicContact CG-CD2 4.47Å
202N98.1Very high97.6Very high34 Ų3457.4 Ų57.418%0.18228%0.284CS..Hα-helixtrans-82.5-29.5-174.2-76.3-95000113M149 F150 L198 E199M149-N202 HydrophobicContact CE-CB 3.7Å; M149-N202 HydrophobicContact SD-CB 4.3Å; F150-N202 WeakPolarHBondContact CB-OD1 3.45Å; F150-N202 WeakPolarHBondContact CD2-OD1 3.32Å; F150-N202 PolarHBondContact N-OD1 2.79Å; F150-N202 PolarHBondContact O-ND2 2.87Å; L198-N202 VanDerWaalsContact O-CB 3.29Å; L198-N202 WeakPolarHBondContact O-CB 3.29Å; L198-N202 PolarHBondContact O-N 3.15Å; L198-N202 PolarHBondContact O-ND2 3.09Å; E199-N202 PolarHBondContact O-N 2.8Å
203F97.1Very high97.5Very high61 Ų6156.8 Ų56.827%0.26827%0.269SS..Hα-helixtrans-111.7-23.4-172.1-47.6-27.8000113.2R147 M149 E199R147-F203 VanDerWaalsContact NE-CE1 3.35Å; M149-F203 HydrophobicContact CE-CE1 4Å; M149-F203 HydrophobicContact CE-CE2 4.27Å; M149-F203 HydrophobicContact CE-CZ 3.59Å; M149-F203 HydrophobicContact SD-CE1 3.92Å; M149-F203 HydrophobicContact SD-CZ 3.64Å; E199-F203 HydrophobicContact CB-CD2 3.93Å; E199-F203 HydrophobicContact CB-CE2 3.92Å; E199-F203 HydrophobicContact CG-CD2 4.25Å; E199-F203 HydrophobicContact CG-CE2 3.73Å; E199-F203 WeakPolarHBondContact O-CB 3.12Å; E199-F203 WeakPolarHBondContact O-CD2 3.21Å; E199-F203 WeakPolarHBondContact O-CG 3.37Å; E199-F203 PolarHBondContact O-N 3.32Å
204H96.6Very high97.4Very high102 Ų10254.1 Ų54.147%0.47226%0.256SS..Hα-helixtrans-134.718.6-168.4-54.8-62.1000113.7A200 Q206 D207A200-H204 CarbonylContact O-C 3.07Å; A200-H204 VanDerWaalsContact O-CA 3.26Å; A200-H204 WeakPolarHBondContact O-CA 3.46Å; A200-H204 PolarHBondContact O-N 3.34Å; H204-Q206 PolarHBondContact O-N 3.49Å; H204-D207 PolarHBondContact O-N 3.4Å
205W95.6Very high97.1Very high135 Ų13558.2 Ų58.251%0.51129%0.287SS..G310 helixtrans-54.1-26.5-173.562.3-90.6000115.4A200 F201 D207 W208 Y210A200-W205 PolarHBondContact O-N 3.25Å; F201-W205 WeakPolarHBondContact O-CB 3.39Å; W205-D207 VanDerWaalsContact C-N 3.28Å; W205-D207 PolarHBondContact O-N 3.18Å; W205-W208 PolarHBondContact O-N 3.48Å; W205-Y210 HydrophobicContact CB-CD1 4.26Å; W205-Y210 HydrophobicContact CB-CE1 4Å
206Q95.6Very high96.5Very high139 Ų13958.4 Ų58.465%0.6530%0.295SS*.G310 helixtrans-69.1-23-179.9-66.1-178.6-43.900113.3H204 W208H204-Q206 PolarHBondContact O-N 3.49Å; Q206-W208 VanDerWaalsContact C-N 3.29Å; Q206-W208 PolarHBondContact O-NE1 3.05Å; Q206-W208 VanDerWaalsContact O-NE1 3.11Å
207D96.4Very high96.3Very high86 Ų8662.8 Ų62.846%0.4631%0.307SS..G310 helixtrans-84.8-4.6177.876.312.7000113.3H204 W205 S209H204-D207 PolarHBondContact O-N 3.4Å; W205-D207 VanDerWaalsContact C-N 3.28Å; W205-D207 PolarHBondContact O-N 3.18Å; D207-S209 PolarHBondContact O-N 3.39Å; D207-S209 WeakPolarHBondContact OD1-CB 3.5Å; D207-S209 PolarHBondContact OD1-N 3.43Å; D207-S209 PolarHBondContact OD1-OG 3.29Å; D207-S209 PolarHBondContact OD2-OG 3.37Å
208W97.3Very high96.1Very high18 Ų1866.6 Ų66.67%0.06833%0.325CS..  trans70.2-6.4179.1-48.682000115.6W161 W205 Q206 Y210 R211 Y220 F228 S229W161-W208 HydrophobicContact CE3-CE3 4.44Å; W161-W208 HydrophobicContact CH2-CB 3.64Å; W161-W208 HydrophobicContact CH2-CD2 4.18Å; W161-W208 AromaticContact CH2-CE3 3.95Å; W161-W208 HydrophobicContact CH2-CE3 3.95Å; W161-W208 HydrophobicContact CH2-CG 4.04Å; W161-W208 HydrophobicContact CZ2-CB 4.11Å; W161-W208 HydrophobicContact CZ3-CB 4.43Å; W161-W208 HydrophobicContact CZ3-CD2 4.2Å; W161-W208 AromaticContact CZ3-CE3 3.56Å; W161-W208 HydrophobicContact CZ3-CE3 3.56Å; W161-W208 HydrophobicContact CZ3-CZ3 4.31Å; W205-W208 PolarHBondContact O-N 3.48Å; Q206-W208 VanDerWaalsContact C-N 3.29Å; Q206-W208 PolarHBondContact O-NE1 3.05Å; Q206-W208 VanDerWaalsContact O-NE1 3.11Å; W208-Y210 VanDerWaalsContact C-N 3.27Å; W208-Y210 PolarHBondContact O-N 3.14Å; W208-Y210 VanDerWaalsContact O-N 3.15Å; W208-R211 VanDerWaalsContact O-CB 3.27Å; W208-R211 WeakPolarHBondContact O-CB 3.41Å; W208-R211 WeakPolarHBondContact O-CG 3.19Å; W208-R211 PolarHBondContact O-N 2.83Å; W208-Y220 HydrophobicContact CZ3-CD2 4.15Å; W208-Y220 HydrophobicContact CZ3-CE2 4.34Å; W208-F228 HydrophobicContact CH2-CB 3.71Å; W208-F228 HydrophobicContact CZ2-CB 4.47Å; W208-S229 WeakPolarHBondContact CZ2-OG 3.46Å
209S96.1Very high96.1Very high52 Ų5269.7 Ų69.736%0.36434%0.344SS..G310 helixtrans-60.2-31.5-170.163.70000114.2D207 R211 D212D207-S209 PolarHBondContact O-N 3.39Å; D207-S209 WeakPolarHBondContact OD1-CB 3.5Å; D207-S209 PolarHBondContact OD1-N 3.43Å; D207-S209 PolarHBondContact OD1-OG 3.29Å; D207-S209 PolarHBondContact OD2-OG 3.37Å; S209-R211 PolarHBondContact O-N 3.25Å; S209-R211 VanDerWaalsContact O-N 3.16Å; S209-D212 PolarHBondContact O-N 2.99Å; S209-D212 VanDerWaalsContact O-N 3.11Å
210Y98Very high96.1Very high19 Ų1966.9 Ų66.98%0.07533%0.331CS..G310 helixtrans-60.9-25.5176.683.1-91.6000112.4V152 L197 F201 W205 W208 D212 I213V152-Y210 HydrophobicContact CG2-CD2 4.07Å; V152-Y210 HydrophobicContact CG2-CE2 3.78Å; L197-Y210 HydrophobicContact CD1-CD2 4.38Å; F201-Y210 HydrophobicContact CB-CD2 4.24Å; F201-Y210 HydrophobicContact CB-CG 4.12Å; F201-Y210 HydrophobicContact CD2-CD1 4.19Å; F201-Y210 AromaticContact CD2-CD2 3.85Å; F201-Y210 HydrophobicContact CD2-CD2 3.85Å; F201-Y210 AromaticContact CD2-CE1 3.97Å; F201-Y210 HydrophobicContact CD2-CE1 3.97Å; F201-Y210 AromaticContact CD2-CE2 3.63Å; F201-Y210 HydrophobicContact CD2-CE2 3.63Å; F201-Y210 HydrophobicContact CD2-CG 4.11Å; F201-Y210 AromaticContact CD2-CZ 3.67Å; F201-Y210 HydrophobicContact CE2-CE2 4.16Å; F201-Y210 HydrophobicContact CG-CD2 4.47Å; W205-Y210 HydrophobicContact CB-CD1 4.26Å; W205-Y210 HydrophobicContact CB-CE1 4Å; W208-Y210 VanDerWaalsContact C-N 3.27Å; W208-Y210 PolarHBondContact O-N 3.14Å; W208-Y210 VanDerWaalsContact O-N 3.15Å; Y210-D212 VanDerWaalsContact C-N 3.27Å; Y210-D212 PolarHBondContact O-N 3.19Å; Y210-I213 PolarHBondContact O-N 3.41Å
211R98.1Very high96.1Very high32 Ų3268.3 Ų68.312%0.12134%0.34CS..G310 helixtrans-73.9-22.9-179.3-56.6-174.7-173.3-98.34.4112.4G159 G160 W161 W208 S209G159-R211 WeakPolarHBondContact CA-O 3.46Å; G160-R211 PolarHBondContact N-O 2.93Å; G160-R211 WeakPolarHBondContact O-CD 3.49Å; G160-R211 PolarHBondContact O-NH1 3.39Å; W161-R211 HydrophobicContact CD2-CB 3.86Å; W161-R211 HydrophobicContact CD2-CG 4.46Å; W161-R211 HydrophobicContact CG-CB 4.01Å; W161-R211 HydrophobicContact CZ2-CB 4.14Å; W208-R211 VanDerWaalsContact O-CB 3.27Å; W208-R211 WeakPolarHBondContact O-CB 3.41Å; W208-R211 WeakPolarHBondContact O-CG 3.19Å; W208-R211 PolarHBondContact O-N 2.83Å; S209-R211 PolarHBondContact O-N 3.25Å; S209-R211 VanDerWaalsContact O-N 3.16Å
212D97.2Very high96.1Very high87 Ų8774.1 Ų74.147%0.46537%0.368SS..G310 helixtrans-94.713.3-179.9-63.5-48.8000113W161 S209 Y210 V214W161-D212 PolarHBondContact NE1-OD1 3.05Å; S209-D212 PolarHBondContact O-N 2.99Å; S209-D212 VanDerWaalsContact O-N 3.11Å; Y210-D212 VanDerWaalsContact C-N 3.27Å; Y210-D212 PolarHBondContact O-N 3.19Å; D212-V214 PolarHBondContact O-N 3.29Å; D212-V214 VanDerWaalsContact O-N 3.11Å
213I97.4Very high96Very high32 Ų3276.6 Ų76.616%0.16437%0.374CS..SBendtrans-55.9-29.6177.3-167.867.1000112.3I154 V188 D193 K196 L197 Y210I154-I213 HydrophobicContact CD1-CG2 3.78Å; I154-I213 HydrophobicContact CG1-CG2 3.95Å; I154-I213 HydrophobicContact CG2-CG2 3.91Å; V188-I213 HydrophobicContact CG1-CG1 3.98Å; V188-I213 HydrophobicContact CG2-CG1 4.05Å; V188-I213 HydrophobicContact CG2-CG2 3.89Å; D193-I213 HydrophobicContact CB-CD1 4.31Å; K196-I213 HydrophobicContact CD-CD1 4.19Å; K196-I213 HydrophobicContact CG-CD1 4.38Å; L197-I213 HydrophobicContact CB-CD1 4.22Å; L197-I213 HydrophobicContact CB-CG1 4.09Å; L197-I213 HydrophobicContact CD1-CB 4.25Å; L197-I213 HydrophobicContact CD1-CG1 4.5Å; L197-I213 HydrophobicContact CD1-CG2 4.03Å; Y210-I213 PolarHBondContact O-N 3.41Å
214V95.1Very high96.1Very high15 Ų1573.7 Ų73.79%0.09136%0.362CS..SBendtrans-125148.3168.7-62.80000109.2I154 C187 V188 D212 G216I154-V214 HydrophobicContact CG2-CG1 4.5Å; I154-V214 HydrophobicContact CG2-CG2 3.61Å; C187-V214 HydrophobicContact CB-CG1 4.12Å; C187-V214 WeakPolarHBondContact O-CG1 3.31Å; V188-V214 HydrophobicContact CG2-CG1 3.93Å; D212-V214 PolarHBondContact O-N 3.29Å; D212-V214 VanDerWaalsContact O-N 3.11Å; V214-G216 PolarHBondContact O-N 3.45Å; V214-G216 VanDerWaalsContact O-N 3.1Å
215P91.4Very high96.2Very high126 Ų12673.3 Ų73.382%0.81836%0.356SS*.  trans-61114.4176.9-21.733000111.4
216G86.8Confident96.3Very high26 Ų2671.4 Ų71.427%0.26835%0.353SS..  trans-79.8137.7173.900000111.8V214 Q218V214-G216 PolarHBondContact O-N 3.45Å; V214-G216 VanDerWaalsContact O-N 3.1Å; G216-Q218 PolarHBondContact O-N 3.46Å
217R93.6Very high96.4Very high226 Ų22664.8 Ų64.885%0.85332%0.322SS*.SBendtrans-59.6-32.1169178.8179175.2178.8-0.8111.8S157S157-R217 WeakPolarHBondContact O-CB 3.45Å; S157-R217 PolarHBondContact O-N 3.11Å
218Q95.4Very high96.5Very high82 Ų8262.5 Ų62.538%0.38331%0.308SS..SBendtrans-148.2145.4177.9-169.1-179.72000108.6P59 F158 G216P59-Q218 HydrophobicContact CB-CB 4.45Å; P59-Q218 HydrophobicContact CB-CG 3.83Å; P59-Q218 HydrophobicContact CG-CB 4.15Å; P59-Q218 HydrophobicContact CG-CG 4.06Å; F158-Q218 HydrophobicContact CD1-CB 4.28Å; F158-Q218 HydrophobicContact CE1-CB 4.19Å; G216-Q218 PolarHBondContact O-N 3.46Å
219T97.6Very high96.5Very high64 Ų6465 Ų6539%0.39333%0.329SS..  trans-120.7170.6174.164.20000109.8P59 W161P59-T219 WeakPolarHBondContact CB-O 3.3Å; W161-T219 HydrophobicContact CD2-CG2 4.2Å; W161-T219 HydrophobicContact CG-CG2 4.03Å; W161-T219 HydrophobicContact CZ2-CG2 4.49Å
220Y98.3Very high96.5Very high10 Ų1063.6 Ų63.64%0.03932%0.318CS..  trans-66.4136.8175.9-67.6-5.1000110.9P59 W161 F162 W208 Q224 F228P59-Y220 HydrophobicContact CB-CD1 3.75Å; P59-Y220 HydrophobicContact CB-CE1 4.18Å; P59-Y220 HydrophobicContact CG-CD1 3.89Å; P59-Y220 HydrophobicContact CG-CE1 4.06Å; W161-Y220 HydrophobicContact CB-CD1 4.31Å; W161-Y220 HydrophobicContact CB-CE1 4.33Å; W161-Y220 AromaticContact CE3-CD1 3.84Å; W161-Y220 HydrophobicContact CE3-CD1 3.84Å; W161-Y220 AromaticContact CE3-CD2 3.67Å; W161-Y220 HydrophobicContact CE3-CD2 3.67Å; W161-Y220 HydrophobicContact CE3-CE1 4.46Å; W161-Y220 HydrophobicContact CE3-CE2 4.31Å; W161-Y220 AromaticContact CE3-CG 3.41Å; W161-Y220 HydrophobicContact CE3-CG 3.41Å; W161-Y220 VanDerWaalsContact CE3-CG 3.41Å; W161-Y220 AromaticContact CZ3-CD2 3.84Å; W161-Y220 HydrophobicContact CZ3-CD2 3.84Å; W161-Y220 AromaticContact CZ3-CG 3.79Å; W161-Y220 HydrophobicContact CZ3-CG 3.79Å; W161-Y220 WeakPolarHBondContact O-CE1 3.22Å; F162-Y220 PolarHBondContact O-OH 3.42Å; W208-Y220 HydrophobicContact CZ3-CD2 4.15Å; W208-Y220 HydrophobicContact CZ3-CE2 4.34Å; Y220-Q224 VanDerWaalsContact CB-OE1 3.27Å; Y220-Q224 HydrophobicContact CD1-CG 4.26Å; Y220-Q224 VanDerWaalsContact CD1-NE2 3.29Å; Y220-Q224 VanDerWaalsContact CD1-OE1 3.24Å; Y220-Q224 HydrophobicContact CD2-CG 3.92Å; Y220-Q224 HydrophobicContact CG-CG 3.74Å; Y220-F228 AromaticContact CD2-CD2 3.86Å; Y220-F228 HydrophobicContact CD2-CD2 3.86Å; Y220-F228 HydrophobicContact CD2-CE2 4.17Å; Y220-F228 AromaticContact CE2-CD2 3.7Å; Y220-F228 HydrophobicContact CE2-CD2 3.7Å; Y220-F228 AromaticContact CE2-CE2 3.78Å; Y220-F228 HydrophobicContact CE2-CE2 3.78Å
221S97.9Very high96.4Very high41 Ų4165.7 Ų65.729%0.28733%0.333SS..  trans-61160.3172.966.70000111.1E63 R223 Q224 R225E63-S221 VanDerWaalsContact OE1-CB 3.31Å; E63-S221 WeakPolarHBondContact OE1-CB 3.19Å; E63-S221 PolarHBondContact OE1-OG 2.85Å; S221-R223 PolarHBondContact O-N 2.96Å; S221-Q224 PolarHBondContact O-N 3.31Å; S221-Q224 VanDerWaalsContact O-N 3.09Å; S221-Q224 WeakPolarHBondContact OG-CB 3.33Å; S221-Q224 PolarHBondContact OG-N 2.81Å; S221-R225 WeakPolarHBondContact O-CG 3.26Å; S221-R225 PolarHBondContact O-N 3.4Å
222E97.8Very high96.2Very high169 Ų16968.2 Ų68.279%0.7935%0.354SS*.Hα-helixtrans-54.5-42.1175.9-67.7-176.6166.400111.5R225 E226E222-R225 PolarHBondContact O-N 3.32Å; E222-E226 WeakPolarHBondContact O-CB 3.49Å; E222-E226 PolarHBondContact O-N 3.18Å
223R97.4Very high96Very high86 Ų8668.9 Ų68.933%0.32537%0.372SS..Hα-helixtrans-61.7-45.4176.2-168.9179.4-169.7176.810112.2F62 S221 R225 E226 Y227 W242F62-R223 HydrophobicContact CE1-CG 4.12Å; S221-R223 PolarHBondContact O-N 2.96Å; R223-R225 VanDerWaalsContact C-N 3.34Å; R223-R225 PolarHBondContact O-N 2.89Å; R223-E226 PolarHBondContact O-N 2.96Å; R223-Y227 PolarHBondContact O-N 2.68Å; R223-W242 HydrophobicContact CB-CH2 4.5Å; R223-W242 HydrophobicContact CG-CD2 4.49Å; R223-W242 HydrophobicContact CG-CE3 4.33Å; R223-W242 HydrophobicContact CG-CH2 3.33Å; R223-W242 HydrophobicContact CG-CZ2 3.54Å; R223-W242 HydrophobicContact CG-CZ3 3.77Å; R223-W242 VanDerWaalsContact NE-CE3 3.34Å; R223-W242 VanDerWaalsContact O-CH2 3.3Å; R223-W242 WeakPolarHBondContact O-CH2 3.43Å
224Q98.4Very high95.9Very high1 Ų172.9 Ų72.91%0.00539%0.39CS..Hα-helixtrans-64.8-38.6176.9-177.7176.820.800111.8P59 F62 Y220 S221 Y227 F228P59-Q224 PolarHBondContact O-NE2 3.07Å; P59-Q224 VanDerWaalsContact O-NE2 3.17Å; P59-Q224 PolarHBondContact O-OE1 3.32Å; F62-Q224 HydrophobicContact CB-CB 4.22Å; F62-Q224 VanDerWaalsContact CB-CD 3.43Å; F62-Q224 HydrophobicContact CB-CG 3.79Å; F62-Q224 HydrophobicContact CD1-CB 3.73Å; F62-Q224 HydrophobicContact CD1-CG 4.14Å; F62-Q224 HydrophobicContact CD2-CB 4.1Å; F62-Q224 HydrophobicContact CD2-CG 3.69Å; F62-Q224 HydrophobicContact CE1-CB 4.04Å; F62-Q224 HydrophobicContact CE2-CB 4.37Å; F62-Q224 HydrophobicContact CE2-CG 4.26Å; F62-Q224 HydrophobicContact CG-CB 3.76Å; F62-Q224 HydrophobicContact CG-CG 3.61Å; F62-Q224 HydrophobicContact CZ-CB 4.35Å; Y220-Q224 VanDerWaalsContact CB-OE1 3.27Å; Y220-Q224 HydrophobicContact CD1-CG 4.26Å; Y220-Q224 VanDerWaalsContact CD1-NE2 3.29Å; Y220-Q224 VanDerWaalsContact CD1-OE1 3.24Å; Y220-Q224 HydrophobicContact CD2-CG 3.92Å; Y220-Q224 HydrophobicContact CG-CG 3.74Å; S221-Q224 PolarHBondContact O-N 3.31Å; S221-Q224 VanDerWaalsContact O-N 3.09Å; S221-Q224 WeakPolarHBondContact OG-CB 3.33Å; S221-Q224 PolarHBondContact OG-N 2.81Å; Q224-Y227 WeakPolarHBondContact O-CB 3.41Å; Q224-Y227 PolarHBondContact O-N 3.04Å; Q224-F228 HydrophobicContact CG-CD2 3.76Å; Q224-F228 HydrophobicContact CG-CE2 3.51Å; Q224-F228 WeakPolarHBondContact O-CD2 3.24Å; Q224-F228 PolarHBondContact O-N 2.95Å
225R98.1Very high95.9Very high93 Ų9373.7 Ų73.735%0.35139%0.391SS..Hα-helixtrans-65.9-41.5174.4-68.7175.867.5-159.63.2111.8W161 S221 E222 R223 Y227 F228 S229W161-R225 HydrophobicContact CH2-CG 4.39Å; W161-R225 HydrophobicContact CZ3-CG 4.07Å; S221-R225 WeakPolarHBondContact O-CG 3.26Å; S221-R225 PolarHBondContact O-N 3.4Å; E222-R225 PolarHBondContact O-N 3.32Å; R223-R225 VanDerWaalsContact C-N 3.34Å; R223-R225 PolarHBondContact O-N 2.89Å; R225-Y227 VanDerWaalsContact C-N 3.34Å; R225-F228 PolarHBondContact O-N 2.71Å; R225-S229 VanDerWaalsContact O-CB 3.24Å; R225-S229 WeakPolarHBondContact O-CB 3.44Å; R225-S229 PolarHBondContact O-N 2.98Å; R225-S229 PolarHBondContact O-OG 3.02Å
226E98.2Very high96Very high95 Ų9569.2 Ų69.244%0.44436%0.36SS..Hα-helixtrans-59-46.1174-176-178.6-16100110.7E222 R223 F228 S229 T230 L238 W242E222-E226 WeakPolarHBondContact O-CB 3.49Å; E222-E226 PolarHBondContact O-N 3.18Å; R223-E226 PolarHBondContact O-N 2.96Å; E226-F228 PolarHBondContact O-N 3.2Å; E226-S229 PolarHBondContact O-N 2.74Å; E226-T230 WeakPolarHBondContact O-CB 3.34Å; E226-T230 PolarHBondContact O-N 3.01Å; E226-T230 PolarHBondContact O-OG1 3.45Å; E226-L238 HydrophobicContact CG-CD1 4.12Å; E226-L238 HydrophobicContact CG-CD2 4.34Å; E226-W242 HydrophobicContact CB-CZ2 4.24Å; E226-W242 HydrophobicContact CG-CZ2 4.17Å; E226-W242 VanDerWaalsContact OE2-CZ2 3.24Å; E226-W242 WeakPolarHBondContact OE2-CZ2 3.44Å; E226-W242 PolarHBondContact OE2-NE1 3.11Å
227Y98.3Very high96.4Very high0 Ų070.7 Ų70.70%037%0.37CS..Hα-helixtrans-58-49.7176.3-176.3-95.7000112.9F62 F66 D80 I82 R223 Q224 R225 T230 R235 L238 L239 W242F62-Y227 AromaticContact CE2-CD1 3.81Å; F62-Y227 HydrophobicContact CE2-CD1 3.81Å; F62-Y227 HydrophobicContact CE2-CD2 4.28Å; F62-Y227 AromaticContact CE2-CG 3.67Å; F62-Y227 HydrophobicContact CE2-CG 3.67Å; F62-Y227 HydrophobicContact CZ-CD2 4.46Å; F62-Y227 HydrophobicContact CZ-CG 4.06Å; F66-Y227 HydrophobicContact CE1-CD2 4.03Å; F66-Y227 HydrophobicContact CE1-CE1 4.29Å; F66-Y227 AromaticContact CE1-CE2 3.68Å; F66-Y227 HydrophobicContact CE1-CE2 3.68Å; F66-Y227 HydrophobicContact CE1-CG 4.47Å; F66-Y227 AromaticContact CE1-CZ 3.8Å; F66-Y227 HydrophobicContact CZ-CD2 4.35Å; F66-Y227 HydrophobicContact CZ-CE1 4.27Å; F66-Y227 AromaticContact CZ-CE2 3.54Å; F66-Y227 HydrophobicContact CZ-CE2 3.54Å; F66-Y227 AromaticContact CZ-CZ 3.48Å; F66-Y227 VanDerWaalsContact CZ-CZ 3.48Å; F66-Y227 WeakPolarHBondContact CZ-OH 3.42Å; D80-Y227 PolarHBondContact OD1-OH 3.42Å; I82-Y227 HydrophobicContact CB-CE1 4.16Å; I82-Y227 HydrophobicContact CD1-CE1 4.46Å; I82-Y227 PolarHBondContact N-OH 2.85Å; R223-Y227 PolarHBondContact O-N 2.68Å; Q224-Y227 WeakPolarHBondContact O-CB 3.41Å; Q224-Y227 PolarHBondContact O-N 3.04Å; R225-Y227 VanDerWaalsContact C-N 3.34Å; Y227-T230 WeakPolarHBondContact O-CB 3.49Å; Y227-T230 PolarHBondContact O-N 3.11Å; Y227-R235 HydrophobicContact CE2-CB 4.08Å; Y227-R235 HydrophobicContact CE2-CG 4.1Å; Y227-L238 HydrophobicContact CD2-CD2 4.25Å; Y227-L239 HydrophobicContact CD2-CD2 4.04Å; Y227-L239 HydrophobicContact CE2-CD1 4.18Å; Y227-L239 HydrophobicContact CE2-CD2 3.89Å; Y227-L239 HydrophobicContact CE2-CG 4.11Å; Y227-W242 HydrophobicContact CD2-CH2 4.39Å; Y227-W242 HydrophobicContact CD2-CZ3 4.33Å
228F97.7Very high96.5Very high38 Ų3860.8 Ų60.817%0.16733%0.334CS..Hα-helixtrans-77.4-23.9-176.8-70.4-54.1000113.8F62 I82 W208 Y220 Q224 R225 E226 T230F62-F228 HydrophobicContact CD2-CE2 4.48Å; I82-F228 HydrophobicContact CD1-CZ 4.37Å; I82-F228 HydrophobicContact CG1-CE1 4.19Å; I82-F228 HydrophobicContact CG1-CZ 4.23Å; W208-F228 HydrophobicContact CH2-CB 3.71Å; W208-F228 HydrophobicContact CZ2-CB 4.47Å; Y220-F228 AromaticContact CD2-CD2 3.86Å; Y220-F228 HydrophobicContact CD2-CD2 3.86Å; Y220-F228 HydrophobicContact CD2-CE2 4.17Å; Y220-F228 AromaticContact CE2-CD2 3.7Å; Y220-F228 HydrophobicContact CE2-CD2 3.7Å; Y220-F228 AromaticContact CE2-CE2 3.78Å; Y220-F228 HydrophobicContact CE2-CE2 3.78Å; Q224-F228 HydrophobicContact CG-CD2 3.76Å; Q224-F228 HydrophobicContact CG-CE2 3.51Å; Q224-F228 WeakPolarHBondContact O-CD2 3.24Å; Q224-F228 PolarHBondContact O-N 2.95Å; R225-F228 PolarHBondContact O-N 2.71Å; E226-F228 PolarHBondContact O-N 3.2Å; F228-T230 VanDerWaalsContact C-N 3.26Å
229S97.3Very high96.4Very high72 Ų7256.9 Ų56.950%0.50332%0.316SS..Hα-helixtrans-72.3-24.6169.5-55.60000111.7W208 R225 E226W208-S229 WeakPolarHBondContact CZ2-OG 3.46Å; R225-S229 VanDerWaalsContact O-CB 3.24Å; R225-S229 WeakPolarHBondContact O-CB 3.44Å; R225-S229 PolarHBondContact O-N 2.98Å; R225-S229 PolarHBondContact O-OG 3.02Å; E226-S229 PolarHBondContact O-N 2.74Å
230T97.6Very high96.2Very high22 Ų2257.1 Ų57.114%0.13531%0.31CS..SBendtrans-74.7126.7178-60.90000110.8E226 Y227 F228 Q234 R235 L238E226-T230 WeakPolarHBondContact O-CB 3.34Å; E226-T230 PolarHBondContact O-N 3.01Å; E226-T230 PolarHBondContact O-OG1 3.45Å; Y227-T230 WeakPolarHBondContact O-CB 3.49Å; Y227-T230 PolarHBondContact O-N 3.11Å; F228-T230 VanDerWaalsContact C-N 3.26Å; T230-Q234 HydrophobicContact CG2-CB 3.68Å; T230-R235 HydrophobicContact CG2-CG 4.15Å; T230-R235 PolarHBondContact O-NE 3.24Å; T230-R235 VanDerWaalsContact O-NE 3.11Å; T230-L238 HydrophobicContact CG2-CB 4.28Å; T230-L238 HydrophobicContact CG2-CD2 4.26Å; T230-L238 WeakPolarHBondContact OG1-CD2 3.41Å
231P95.5Very high96Very high62 Ų6261 Ų6140%0.40334%0.338SS..  trans-55.4143.5176.9-26.434.5000112A233 Q234 R235P231-A233 PolarHBondContact O-N 2.94Å; P231-A233 VanDerWaalsContact O-N 3.08Å; P231-Q234 WeakPolarHBondContact O-CA 3.29Å; P231-Q234 PolarHBondContact O-N 3.25Å; P231-R235 PolarHBondContact O-N 3.43Å
232P93.8Very high95.9Very high86 Ų8661.4 Ų61.456%0.55833%0.333SS*.Hα-helixtrans-49.8-41.5-177.1-30.836000114.6Q234 R235P232-Q234 PolarHBondContact O-N 3.27Å; P232-R235 PolarHBondContact O-N 2.88Å
233A93.2Very high95.6Very high101 Ų10156.4 Ų56.484%0.83533%0.327SS*.Hα-helixtrans-63.2-22178.300000114.3P231P231-A233 PolarHBondContact O-N 2.94Å; P231-A233 VanDerWaalsContact O-N 3.08Å
234Q95.3Very high95.3Very high116 Ų11653.8 Ų53.854%0.54232%0.319SS..Hα-helixtrans-102.2-9.8-177.7-63.4176.89.300112.8T230 P231 P232 L236 A237 L238T230-Q234 HydrophobicContact CG2-CB 3.68Å; P231-Q234 WeakPolarHBondContact O-CA 3.29Å; P231-Q234 PolarHBondContact O-N 3.25Å; P232-Q234 PolarHBondContact O-N 3.27Å; Q234-L236 VanDerWaalsContact C-N 3.29Å; Q234-L236 PolarHBondContact O-N 3.01Å; Q234-A237 WeakPolarHBondContact O-CB 3.25Å; Q234-A237 PolarHBondContact O-N 3.35Å; Q234-L238 PolarHBondContact O-N 3.38Å
235R95.4Very high94.7Very high31 Ų3155 Ų5512%0.11733%0.325CS..Hα-helixtrans-59.8-37-176.5-73.9175.9-176.6171.1-4.2112.9D80 Y227 T230 P231 P232 A237 L238 L239D80-R235 IonicContact OD1-NH1 2.76Å; D80-R235 PolarHBondContact OD1-NH1 3.28Å; D80-R235 VanDerWaalsContact OD2-CD 3.29Å; D80-R235 WeakPolarHBondContact OD2-CD 3.24Å; D80-R235 IonicContact OD2-CZ 3Å; D80-R235 IonicContact OD2-NE 3.36Å; D80-R235 IonicContact OD2-NH1 2.67Å; D80-R235 PolarHBondContact OD2-NH1 3.48Å; Y227-R235 HydrophobicContact CE2-CB 4.08Å; Y227-R235 HydrophobicContact CE2-CG 4.1Å; T230-R235 HydrophobicContact CG2-CG 4.15Å; T230-R235 PolarHBondContact O-NE 3.24Å; T230-R235 VanDerWaalsContact O-NE 3.11Å; P231-R235 PolarHBondContact O-N 3.43Å; P232-R235 PolarHBondContact O-N 2.88Å; R235-A237 VanDerWaalsContact C-N 3.33Å; R235-A237 PolarHBondContact O-N 3.26Å; R235-L238 WeakPolarHBondContact O-CB 3.29Å; R235-L238 PolarHBondContact O-N 3.46Å; R235-L239 VanDerWaalsContact O-CG 3.25Å; R235-L239 WeakPolarHBondContact O-CG 3.49Å; R235-L239 PolarHBondContact O-N 3.28Å
236L93.3Very high93.6Very high32 Ų3255.8 Ų55.817%0.16834%0.342CS..Hα-helixtrans-65.3-38.1176.9-59.4-177.5000112.4I75 K77 P81 Q234 L239 R240 L245I75-L236 HydrophobicContact CG2-CD2 3.76Å; K77-L236 HydrophobicContact CD-CD1 4.27Å; K77-L236 HydrophobicContact CG-CD1 4.14Å; P81-L236 HydrophobicContact CG-CD2 3.58Å; Q234-L236 VanDerWaalsContact C-N 3.29Å; Q234-L236 PolarHBondContact O-N 3.01Å; L236-L239 PolarHBondContact O-N 3.05Å; L236-R240 VanDerWaalsContact O-CG 3.29Å; L236-R240 WeakPolarHBondContact O-CG 3.47Å; L236-R240 PolarHBondContact O-N 2.95Å; L236-L245 HydrophobicContact CD2-CD1 4.1Å
237A93.9Very high92.3Very high58 Ų5860 Ų6048%0.47936%0.359SS..Hα-helixtrans-66-40.7175.600000111.2Q234 R235 R240 S241Q234-A237 WeakPolarHBondContact O-CB 3.25Å; Q234-A237 PolarHBondContact O-N 3.35Å; R235-A237 VanDerWaalsContact C-N 3.33Å; R235-A237 PolarHBondContact O-N 3.26Å; A237-R240 PolarHBondContact O-N 3.48Å; A237-S241 PolarHBondContact O-N 3.18Å
238L95.9Very high90.7Very high18 Ų1865.7 Ų65.79%0.09439%0.386CS..Hα-helixtrans-61.2-47.7173-178.773.7000112E226 Y227 T230 Q234 R235 R240 S241 W242E226-L238 HydrophobicContact CG-CD1 4.12Å; E226-L238 HydrophobicContact CG-CD2 4.34Å; Y227-L238 HydrophobicContact CD2-CD2 4.25Å; T230-L238 HydrophobicContact CG2-CB 4.28Å; T230-L238 HydrophobicContact CG2-CD2 4.26Å; T230-L238 WeakPolarHBondContact OG1-CD2 3.41Å; Q234-L238 PolarHBondContact O-N 3.38Å; R235-L238 WeakPolarHBondContact O-CB 3.29Å; R235-L238 PolarHBondContact O-N 3.46Å; L238-R240 PolarHBondContact O-N 2.96Å; L238-S241 PolarHBondContact O-N 2.81Å; L238-S241 PolarHBondContact O-OG 3.06Å; L238-W242 HydrophobicContact CD1-CZ2 4.09Å; L238-W242 HydrophobicContact CD2-CH2 3.92Å; L238-W242 HydrophobicContact CD2-CZ2 3.66Å; L238-W242 HydrophobicContact CG-CD2 4.26Å; L238-W242 HydrophobicContact CG-CH2 4.4Å; L238-W242 HydrophobicContact CG-CZ2 3.86Å; L238-W242 PolarHBondContact O-N 2.83Å
239L94.4Very high88.4Confident0 Ų072.5 Ų72.50%042%0.418CS..Hα-helixtrans-62.1-34.2179.3-67.5177000112F66 L70 P81 Y227 R235 L236 W242 G243 L244 L245F66-L239 HydrophobicContact CE1-CD2 4.23Å; F66-L239 HydrophobicContact CZ-CD1 4.22Å; F66-L239 HydrophobicContact CZ-CD2 4.26Å; L70-L239 HydrophobicContact CD1-CD1 4.09Å; L70-L239 HydrophobicContact CD1-CD2 3.6Å; L70-L239 HydrophobicContact CD1-CG 4.41Å; L70-L239 HydrophobicContact CD2-CD1 3.86Å; P81-L239 HydrophobicContact CB-CD1 4.08Å; P81-L239 HydrophobicContact CG-CD1 3.92Å; Y227-L239 HydrophobicContact CD2-CD2 4.04Å; Y227-L239 HydrophobicContact CE2-CD1 4.18Å; Y227-L239 HydrophobicContact CE2-CD2 3.89Å; Y227-L239 HydrophobicContact CE2-CG 4.11Å; R235-L239 VanDerWaalsContact O-CG 3.25Å; R235-L239 WeakPolarHBondContact O-CG 3.49Å; R235-L239 PolarHBondContact O-N 3.28Å; L236-L239 PolarHBondContact O-N 3.05Å; L239-W242 HydrophobicContact CD2-CE3 3.75Å; L239-W242 HydrophobicContact CD2-CZ3 3.83Å; L239-W242 PolarHBondContact O-N 3.08Å; L239-G243 PolarHBondContact O-N 3.35Å; L239-L244 HydrophobicContact CD2-CD1 4.15Å; L239-L244 PolarHBondContact O-N 3.46Å; L239-L245 HydrophobicContact CB-CD1 3.66Å; L239-L245 HydrophobicContact CB-CG 3.92Å; L239-L245 HydrophobicContact CD1-CD1 4.08Å
240R92.9Very high85.9Confident69 Ų6973.5 Ų73.526%0.2643%0.431SS..Hα-helixtrans-67.8-40.5171.5-71171.5-173.2158.1-4.1112.5L236 A237 L238 W242 G243 L245 E248L236-R240 VanDerWaalsContact O-CG 3.29Å; L236-R240 WeakPolarHBondContact O-CG 3.47Å; L236-R240 PolarHBondContact O-N 2.95Å; A237-R240 PolarHBondContact O-N 3.48Å; L238-R240 PolarHBondContact O-N 2.96Å; R240-W242 PolarHBondContact O-N 3.06Å; R240-G243 PolarHBondContact O-N 3.06Å; R240-L245 HydrophobicContact CG-CB 3.73Å; R240-L245 HydrophobicContact CG-CD1 4.42Å; R240-E248 IonicContact CZ-OE1 3.43Å; R240-E248 IonicContact CZ-OE2 3.62Å; R240-E248 IonicContact NH1-OE1 2.81Å; R240-E248 IonicContact NH1-OE2 3.2Å; R240-E248 PolarHBondContact NH1-OE2 3.26Å; R240-E248 IonicContact NH2-OE1 3.43Å; R240-E248 PolarHBondContact NH2-OE1 2.81Å; R240-E248 IonicContact NH2-OE2 2.71Å; R240-E248 PolarHBondContact NH2-OE2 3.26Å
241S94.8Very high83.4Confident91 Ų9180.8 Ų80.864%0.63646%0.464SS*.Hα-helixtrans-65-29.1177.675.40000111.9A237 L238 G243A237-S241 PolarHBondContact O-N 3.18Å; L238-S241 PolarHBondContact O-N 2.81Å; L238-S241 PolarHBondContact O-OG 3.06Å; S241-G243 VanDerWaalsContact C-N 3.27Å; S241-G243 PolarHBondContact O-N 2.96Å
242W94.9Very high80.8Confident50 Ų5083.3 Ų83.319%0.18948%0.48CS..THydrogen-bonded Turntrans-78.1-3.6170.8-66.4-8.6000114.9F62 R223 E226 Y227 L238 L239 R240 L244F62-W242 HydrophobicContact CZ-CH2 4.07Å; F62-W242 AromaticContact CZ-CZ3 3.95Å; F62-W242 HydrophobicContact CZ-CZ3 3.95Å; R223-W242 HydrophobicContact CB-CH2 4.5Å; R223-W242 HydrophobicContact CG-CD2 4.49Å; R223-W242 HydrophobicContact CG-CE3 4.33Å; R223-W242 HydrophobicContact CG-CH2 3.33Å; R223-W242 HydrophobicContact CG-CZ2 3.54Å; R223-W242 HydrophobicContact CG-CZ3 3.77Å; R223-W242 VanDerWaalsContact NE-CE3 3.34Å; R223-W242 VanDerWaalsContact O-CH2 3.3Å; R223-W242 WeakPolarHBondContact O-CH2 3.43Å; E226-W242 HydrophobicContact CB-CZ2 4.24Å; E226-W242 HydrophobicContact CG-CZ2 4.17Å; E226-W242 VanDerWaalsContact OE2-CZ2 3.24Å; E226-W242 WeakPolarHBondContact OE2-CZ2 3.44Å; E226-W242 PolarHBondContact OE2-NE1 3.11Å; Y227-W242 HydrophobicContact CD2-CH2 4.39Å; Y227-W242 HydrophobicContact CD2-CZ3 4.33Å; L238-W242 HydrophobicContact CD1-CZ2 4.09Å; L238-W242 HydrophobicContact CD2-CH2 3.92Å; L238-W242 HydrophobicContact CD2-CZ2 3.66Å; L238-W242 HydrophobicContact CG-CD2 4.26Å; L238-W242 HydrophobicContact CG-CH2 4.4Å; L238-W242 HydrophobicContact CG-CZ2 3.86Å; L238-W242 PolarHBondContact O-N 2.83Å; L239-W242 HydrophobicContact CD2-CE3 3.75Å; L239-W242 HydrophobicContact CD2-CZ3 3.83Å; L239-W242 PolarHBondContact O-N 3.08Å; R240-W242 PolarHBondContact O-N 3.06Å; W242-L244 VanDerWaalsContact C-N 3.28Å; W242-L244 HydrophobicContact CB-CD1 4.49Å; W242-L244 HydrophobicContact CB-CG 4.19Å; W242-L244 HydrophobicContact CE3-CD1 3.88Å; W242-L244 PolarHBondContact O-N 2.78Å
243G91.7Very high78.3Confident63 Ų6386.9 Ų86.965%0.64949%0.494SS*.THydrogen-bonded Turntrans7216.1-177.300000114.9L239 R240 S241L239-G243 PolarHBondContact O-N 3.35Å; R240-G243 PolarHBondContact O-N 3.06Å; S241-G243 VanDerWaalsContact C-N 3.27Å; S241-G243 PolarHBondContact O-N 2.96Å
244L90.2Very high76.1Confident31 Ų3189.8 Ų89.816%0.16250%0.495CS..SBendtrans-88.9-9179.3-63.9-177.7000113.7L67 L70 L239 W242L67-L244 HydrophobicContact CD2-CD1 3.68Å; L70-L244 HydrophobicContact CD1-CB 4.28Å; L70-L244 HydrophobicContact CD1-CD1 3.6Å; L239-L244 HydrophobicContact CD2-CD1 4.15Å; L239-L244 PolarHBondContact O-N 3.46Å; W242-L244 VanDerWaalsContact C-N 3.28Å; W242-L244 HydrophobicContact CB-CD1 4.49Å; W242-L244 HydrophobicContact CB-CG 4.19Å; W242-L244 HydrophobicContact CE3-CD1 3.88Å; W242-L244 PolarHBondContact O-N 2.78Å
245L85.5Confident73.7Confident27 Ų2790.3 Ų90.314%0.14150%0.501CS..SBendtrans-130.6149.3175.3-66.8179.2000109.7I75 L236 L239 R240I75-L245 HydrophobicContact CG1-CD2 4.03Å; L236-L245 HydrophobicContact CD2-CD1 4.1Å; L239-L245 HydrophobicContact CB-CD1 3.66Å; L239-L245 HydrophobicContact CB-CG 3.92Å; L239-L245 HydrophobicContact CD1-CD1 4.08Å; R240-L245 HydrophobicContact CG-CB 3.73Å; R240-L245 HydrophobicContact CG-CD1 4.42Å
246P76.4Confident71.2Confident109 Ų10994.1 Ų94.171%0.70853%0.53SS*.PPolyproline II helixtrans-54.7144.3171.5-2232000111.1E248P246-E248 PolarHBondContact O-N 3.43Å
247K70.6Confident69Low184 Ų184100.8 Ų100.880%0.856%0.56SS**PPolyproline II helixtrans-61.8137.3167.1-66.9-176.1179.7179.50107.6E249K247-E249 PolarHBondContact O-N 3.08Å; K247-E249 VanDerWaalsContact O-N 3.08Å
248E63.8Low66.6Low119 Ų119106.1 Ų106.156%0.55658%0.575SS**PPolyproline II helixtrans-59.4116.6175.5-146.2150.2-13700106.7K77 R240 P246 A250K77-E248 IonicContact NZ-OE1 2.75Å; R240-E248 IonicContact CZ-OE1 3.43Å; R240-E248 IonicContact CZ-OE2 3.62Å; R240-E248 IonicContact NH1-OE1 2.81Å; R240-E248 IonicContact NH1-OE2 3.2Å; R240-E248 PolarHBondContact NH1-OE2 3.26Å; R240-E248 IonicContact NH2-OE1 3.43Å; R240-E248 PolarHBondContact NH2-OE1 2.81Å; R240-E248 IonicContact NH2-OE2 2.71Å; R240-E248 PolarHBondContact NH2-OE2 3.26Å; P246-E248 PolarHBondContact O-N 3.43Å; E248-A250 PolarHBondContact O-N 3.02Å
249E50.5Low64.1Low182 Ų182113.6 Ų113.685%0.8561%0.61SS**PPolyproline II helixtrans-59.1123.5171-72.6-178.2174.600106.4K247 Q251K247-E249 PolarHBondContact O-N 3.08Å; K247-E249 VanDerWaalsContact O-N 3.08Å; E249-Q251 PolarHBondContact O-N 3.19Å
250A45Very low61.6Low93 Ų93121.3 Ų121.377%0.76965%0.651SS**PPolyproline II helixtrans-53.9118.3168.700000106.3E248E248-A250 PolarHBondContact O-N 3.02Å
251Q43.7Very low59.3Low175 Ų175127.2 Ų127.282%0.81868%0.681SS**PPolyproline II helixtrans-51.7128167.3-81.6178.5-37.100106.4E249 D253E249-Q251 PolarHBondContact O-N 3.19Å; Q251-D253 PolarHBondContact O-N 3.05Å
252P41.6Very low56.7Low114 Ų114127 Ų12774%0.7469%0.685SS**PPolyproline II helixtrans-57.2121.9170.622.4-29.2000106.4L254P252-L254 PolarHBondContact O-N 2.92Å
253D42.2Very low54.1Low162 Ų162133 Ų13387%0.86672%0.721SS**  trans-47111.6173.5-77.2-42.6000107.7Q251 N255Q251-D253 PolarHBondContact O-N 3.05Å; D253-N255 PolarHBondContact O-N 2.82Å
254L45.9Very low51.6Low162 Ų162132.7 Ų132.785%0.84872%0.718SS**  trans-62.7116.9169.7-77170.4000106.3P252P252-L254 PolarHBondContact O-N 2.92Å
255N45.7Very low49.1Very low126 Ų126141.1 Ų141.167%0.67476%0.756SS**  trans-44.4134.1179.5-112.8-27.2000110.5D253 H257D253-N255 PolarHBondContact O-N 2.82Å; N255-H257 PolarHBondContact O-N 3.06Å
256P42.7Very low46.7Very low112 Ų112147.2 Ų147.273%0.72783%0.825SS**THydrogen-bonded Turntrans-63.62.6179.7-19.630.4000115.1
257H46Very low45.2Very low172 Ų172149.2 Ų149.280%0.79683%0.831SS**THydrogen-bonded Turntrans-95-6.4-167.6-109.3-65000115.7N255N255-H257 PolarHBondContact O-N 3.06Å
258E44.3Very low43.9Very low169 Ų169147.3 Ų147.379%0.7983%0.833SS**SBendtrans-105-2.8-178.1-66.6-173.3142.800114.5N260E258-N260 VanDerWaalsContact C-N 3.33Å; E258-N260 PolarHBondContact O-N 3.42Å
259Q44Very low42.8Very low176 Ų176148.9 Ų148.982%0.82285%0.848SS**THydrogen-bonded Turntrans-81.7-2.2178.5-87.5176.5-14.700115.2
260N40.6Very low42.3Very low161 Ų161146.9 Ų146.986%0.86185%0.848SS**THydrogen-bonded Turntrans-101.813.4-174.1-104.2-2.9000116.2E258E258-N260 VanDerWaalsContact C-N 3.33Å; E258-N260 PolarHBondContact O-N 3.42Å
261Q44.8Very low42.2Very low194 Ų194150.3 Ų150.391%0.90785%0.853SS**SBendtrans-117.83176.5-75-1672.700116.1
262A41.5Very low42.1Very low87 Ų87148.7 Ų148.772%0.71986%0.856SS**SBendtrans-104.2-6.3-176.400000116
263N40.6Very low42.1Very low174 Ų174151.1 Ų151.193%0.9386%0.864SS**  trans-120.674.8179.2-84.2-5.8000111.9
264G37.9Very low42.1Very low57 Ų57150.3 Ų150.359%0.58886%0.864SS**  trans-160.489.8167.300000110.4
265H38.2Very low41.8Very low209 Ų209149.3 Ų149.397%0.96887%0.865SS**  trans171.6123.1136.7-82.9-39.2000111.1
266G35.4Very low41.4Very low155 Ų155151.5 Ų151.5100%1.59888%0.882SS**  trans109.80158.300000115.3

Retrieved 266 of 266 residues in 110.1 ms (Link to these results)

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