A0A087YL81_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087YL81, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 727 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
1M33.7Very low73.6Confident233 Ų23398.9 Ų98.9100%1.14852%0.518SS*.  0131.30-66.417117800107.4N3M1-N3 PolarHBondContact O-N 3.3Å
2N35.4Very low75.4Confident160 Ų16093.8 Ų93.886%0.85649%0.491SS*.  trans-78.2124.2177.9-71.42.3000109.3K4N2-K4 VanDerWaalsContact C-N 3.31Å; N2-K4 PolarHBondContact O-N 2.81Å
3N44.8Very low77Confident160 Ų16087.6 Ų87.686%0.85646%0.46SS*.  trans-67.194.4166.3-74.7-0.4000108.2M1M1-N3 PolarHBondContact O-N 3.3Å
4K63Low78.3Confident158 Ų15881.4 Ų81.469%0.68743%0.428SS*.  trans-54.2140.2154.2-66-170.1176-166.30107.3N2N2-K4 VanDerWaalsContact C-N 3.31Å; N2-K4 PolarHBondContact O-N 2.81Å
5G83.6Confident79.6Confident51 Ų5176 Ų7653%0.52640%0.399SS..  trans-62.8177.8-178.500000112.7L7 N143G5-L7 PolarHBondContact O-N 3.33Å; G5-N143 PolarHBondContact O-ND2 3.01Å
6W91.6Very high80.7Confident19 Ų1971.3 Ų71.37%0.07237%0.374CS..PPolyproline II helixtrans-69.3127.7167.1-68.255.2000107.9I88 N90 T94 I132 L138 A139 H142 N143W6-I88 HydrophobicContact CB-CG2 4.14Å; W6-I88 VanDerWaalsContact CD1-CG2 3.5Å; W6-I88 HydrophobicContact CD2-CG2 4.42Å; W6-I88 HydrophobicContact CG-CG2 3.77Å; W6-N90 WeakPolarHBondContact O-CB 3.39Å; W6-N90 PolarHBondContact O-ND2 3.34Å; W6-T94 HydrophobicContact CH2-CG2 4.09Å; W6-T94 HydrophobicContact CZ3-CG2 3.81Å; W6-I132 HydrophobicContact CH2-CG2 4.16Å; W6-L138 HydrophobicContact CH2-CB 3.92Å; W6-L138 HydrophobicContact CZ2-CB 4.46Å; W6-A139 HydrophobicContact CD2-CB 4.46Å; W6-A139 HydrophobicContact CZ2-CB 3.75Å; W6-H142 HydrophobicContact CE3-CB 3.87Å; W6-H142 AromaticContact CE3-CD2 3.5Å; W6-H142 AromaticContact CE3-CE1 3.73Å; W6-H142 AromaticContact CE3-CG 3.4Å; W6-H142 AromaticContact CE3-ND1 3.54Å; W6-H142 AromaticContact CE3-NE2 3.68Å; W6-H142 HydrophobicContact CZ3-CB 3.79Å; W6-H142 AromaticContact CZ3-CG 3.68Å; W6-H142 AromaticContact CZ3-ND1 3.68Å; W6-N143 WeakPolarHBondContact CA-OD1 3.34Å
7L91.6Very high81.7Confident37 Ų3767.1 Ų67.119%0.19435%0.352CS..PPolyproline II helixtrans-86168.4-178.3-64175000110.8G5 N90 H142 N143 A146G5-L7 PolarHBondContact O-N 3.33Å; L7-N90 VanDerWaalsContact O-CB 3.24Å; L7-N90 WeakPolarHBondContact O-CB 3.49Å; L7-H142 PolarHBondContact O-NE2 3.23Å; L7-N143 HydrophobicContact CD1-CB 4.44Å; L7-N143 PolarHBondContact N-OD1 3.17Å; L7-A146 HydrophobicContact CB-CB 3.42Å; L7-A146 VanDerWaalsContact CB-CB 3.42Å; L7-A146 HydrophobicContact CD1-CB 3.81Å; L7-A146 HydrophobicContact CG-CB 4.25Å
8E90.5Very high82.6Confident143 Ų14363.7 Ų63.767%0.66834%0.335SS*.PPolyproline II helixtrans-80.2134.2177.3-168.4170.2-163.700111
9L92.1Very high83.4Confident14 Ų1460.3 Ų60.37%0.07332%0.317CS..  trans-105142.9176.4-70.7-173.4000111.8L15 L19 A93 H142 H145 A146L9-L15 HydrophobicContact CD1-CD2 4.02Å; L9-L15 HydrophobicContact CD2-CD1 4.41Å; L9-L15 HydrophobicContact CD2-CD2 4.2Å; L9-L19 HydrophobicContact CD1-CD2 4.07Å; L9-A93 HydrophobicContact CB-CB 4.27Å; L9-A93 HydrophobicContact CD1-CB 4.13Å; L9-H142 VanDerWaalsContact CD1-CE1 3.43Å; L9-H142 WeakPolarHBondContact CD1-CE1 3.46Å; L9-H142 VanDerWaalsContact CD1-ND1 3.35Å; L9-H142 WeakPolarHBondContact CD1-ND1 3.43Å; L9-H145 HydrophobicContact CD2-CB 4.14Å; L9-A146 HydrophobicContact CD2-CB 3.83Å
10E90.7Very high84.1Confident74 Ų7457.3 Ų57.335%0.34630%0.301SS..  trans-79.4149.6174.3-59.7-170110.800111.5D12 L15 R147 R665E10-D12 PolarHBondContact O-N 3.31Å; E10-L15 HydrophobicContact CB-CD1 4.42Å; E10-R147 IonicContact OE1-CZ 3.73Å; E10-R147 VanDerWaalsContact OE1-CZ 3.28Å; E10-R147 IonicContact OE1-NE 3.26Å; E10-R147 PolarHBondContact OE1-NE 2.97Å; E10-R147 IonicContact OE1-NH2 2.68Å; E10-R147 PolarHBondContact OE1-NH2 3.48Å; E10-R147 IonicContact OE2-CZ 3.44Å; E10-R147 IonicContact OE2-NE 2.77Å; E10-R147 PolarHBondContact OE2-NE 3.49Å; E10-R147 IonicContact OE2-NH2 3.31Å; E10-R147 PolarHBondContact OE2-NH2 3.44Å; E10-R665 WeakPolarHBondContact OE2-CD 3.34Å
11S92.8Very high84.7Confident39 Ų3957 Ų5727%0.27330%0.298SS..  trans-81.679.8177.1-167.40000110.8L50 N230S11-L50 VanDerWaalsContact CB-CD2 3.44Å; S11-L50 WeakPolarHBondContact OG-CD2 3.46Å; S11-N230 PolarHBondContact OG-OD1 3.22Å
12D94.8Very high87.7Confident37 Ų3750.4 Ų50.420%0.19827%0.267CS..  trans-124.4125.8177166.8-134.4000111E10 G14 L15 F16 R665E10-D12 PolarHBondContact O-N 3.31Å; D12-G14 VanDerWaalsContact CG-N 3.33Å; D12-G14 PolarHBondContact O-N 2.89Å; D12-G14 WeakPolarHBondContact OD1-CA 3.2Å; D12-G14 PolarHBondContact OD1-N 3.01Å; D12-G14 PolarHBondContact OD2-N 3.46Å; D12-L15 HydrophobicContact CB-CB 3.87Å; D12-L15 WeakPolarHBondContact O-CB 3.37Å; D12-L15 PolarHBondContact O-N 3.34Å; D12-L15 PolarHBondContact OD1-N 3.41Å; D12-F16 WeakPolarHBondContact O-CD2 3.41Å; D12-F16 PolarHBondContact O-N 3.04Å; D12-R665 IonicContact OD1-CZ 2.76Å; D12-R665 VanDerWaalsContact OD1-CZ 3.25Å; D12-R665 IonicContact OD1-NH1 3.59Å; D12-R665 PolarHBondContact OD1-NH1 3.49Å; D12-R665 IonicContact OD1-NH2 2.62Å; D12-R665 PolarHBondContact OD1-NH2 2.99Å; D12-R665 VanDerWaalsContact OD1-NH2 3.08Å
13P96.1Very high90.6Very high14 Ų1442.9 Ų42.99%0.09123%0.227CC..Hα-helixtrans-59.7-2817526.4-37.3000112.9T17 V30 E32 M232P13-T17 VanDerWaalsContact O-CB 3.29Å; P13-T17 WeakPolarHBondContact O-CB 3.45Å; P13-T17 PolarHBondContact O-N 3.07Å; P13-T17 PolarHBondContact O-OG1 2.71Å; P13-V30 WeakPolarHBondContact CB-O 3.22Å; P13-E32 HydrophobicContact CB-CB 4.49Å; P13-E32 HydrophobicContact CG-CB 4.06Å; P13-M232 HydrophobicContact CB-SD 4.2Å
14G96.1Very high93Very high0 Ų036.9 Ų36.90%020%0.203CC..Hα-helixtrans-64.9-52.8173.600000112.3D12 F16 T17 L18 F658D12-G14 VanDerWaalsContact CG-N 3.33Å; D12-G14 PolarHBondContact O-N 2.89Å; D12-G14 WeakPolarHBondContact OD1-CA 3.2Å; D12-G14 PolarHBondContact OD1-N 3.01Å; D12-G14 PolarHBondContact OD2-N 3.46Å; G14-F16 PolarHBondContact O-N 3.21Å; G14-T17 WeakPolarHBondContact O-CB 3.36Å; G14-T17 PolarHBondContact O-N 3.11Å; G14-T17 VanDerWaalsContact O-N 3.15Å; G14-L18 WeakPolarHBondContact O-CG 3.43Å; G14-L18 PolarHBondContact O-N 2.92Å; G14-F658 VanDerWaalsContact CA-CG 3.47Å
15L96.6Very high94.6Very high1 Ų129.7 Ų29.71%0.00517%0.173CC..Hα-helixtrans-53.8-51.4174.3-164.1162.3000111L9 E10 D12 T17 L18 L19 H145L9-L15 HydrophobicContact CD1-CD2 4.02Å; L9-L15 HydrophobicContact CD2-CD1 4.41Å; L9-L15 HydrophobicContact CD2-CD2 4.2Å; E10-L15 HydrophobicContact CB-CD1 4.42Å; D12-L15 HydrophobicContact CB-CB 3.87Å; D12-L15 WeakPolarHBondContact O-CB 3.37Å; D12-L15 PolarHBondContact O-N 3.34Å; D12-L15 PolarHBondContact OD1-N 3.41Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.41Å; L15-L18 PolarHBondContact O-N 3.41Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 3.24Å; L15-H145 HydrophobicContact CD1-CB 4.39Å; L15-H145 HydrophobicContact CD2-CB 3.77Å; L15-H145 HydrophobicContact CG-CB 3.91Å
16F98Very high95.1Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-62-37.2178.7-85.4-115.3000111.9D12 G14 L19 V20 V30 I48 A93 L97 F171 M232D12-F16 WeakPolarHBondContact O-CD2 3.41Å; D12-F16 PolarHBondContact O-N 3.04Å; G14-F16 PolarHBondContact O-N 3.21Å; F16-L19 PolarHBondContact O-N 2.96Å; F16-V20 VanDerWaalsContact O-CG2 3.3Å; F16-V20 WeakPolarHBondContact O-CG2 3.31Å; F16-V20 PolarHBondContact O-N 2.92Å; F16-V20 VanDerWaalsContact O-N 3.1Å; F16-V30 HydrophobicContact CB-CB 3.93Å; F16-V30 HydrophobicContact CB-CG1 3.93Å; F16-V30 HydrophobicContact CB-CG2 3.97Å; F16-I48 HydrophobicContact CD1-CD1 4.08Å; F16-I48 HydrophobicContact CE1-CD1 4.06Å; F16-I48 HydrophobicContact CE1-CG2 4.34Å; F16-A93 HydrophobicContact CE1-CB 4.19Å; F16-A93 HydrophobicContact CE2-CB 4.18Å; F16-A93 HydrophobicContact CZ-CB 3.52Å; F16-L97 HydrophobicContact CD1-CD2 4.37Å; F16-F171 HydrophobicContact CE1-CE1 4.49Å; F16-F171 HydrophobicContact CE2-CE1 4.35Å; F16-F171 HydrophobicContact CE2-CZ 4.19Å; F16-F171 HydrophobicContact CZ-CD1 4.31Å; F16-F171 AromaticContact CZ-CE1 3.68Å; F16-F171 HydrophobicContact CZ-CE1 3.68Å; F16-F171 HydrophobicContact CZ-CE2 4.42Å; F16-F171 AromaticContact CZ-CZ 3.74Å; F16-F171 HydrophobicContact CZ-CZ 3.74Å; F16-M232 HydrophobicContact CD1-CE 4.23Å; F16-M232 HydrophobicContact CD2-CE 4.14Å; F16-M232 HydrophobicContact CD2-SD 4.38Å; F16-M232 HydrophobicContact CE1-CE 4.07Å; F16-M232 HydrophobicContact CE2-CE 3.98Å; F16-M232 HydrophobicContact CG-CE 4.26Å; F16-M232 HydrophobicContact CG-SD 4.29Å; F16-M232 HydrophobicContact CZ-CE 3.92Å
17T97.8Very high95.2Very high0 Ų033.7 Ų33.70%018%0.18CC..Hα-helixtrans-64.8-39.3174.8-62.90000112.4P13 G14 L15 V20 E21 Q29 V30 R655P13-T17 VanDerWaalsContact O-CB 3.29Å; P13-T17 WeakPolarHBondContact O-CB 3.45Å; P13-T17 PolarHBondContact O-N 3.07Å; P13-T17 PolarHBondContact O-OG1 2.71Å; G14-T17 WeakPolarHBondContact O-CB 3.36Å; G14-T17 PolarHBondContact O-N 3.11Å; G14-T17 VanDerWaalsContact O-N 3.15Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.41Å; T17-V20 PolarHBondContact O-N 3.36Å; T17-E21 PolarHBondContact O-N 2.86Å; T17-Q29 HydrophobicContact CG2-CB 3.82Å; T17-V30 PolarHBondContact OG1-N 3.29Å; T17-V30 PolarHBondContact OG1-O 2.89Å; T17-R655 VanDerWaalsContact CG2-CZ 3.43Å
18L97.6Very high95.4Very high6 Ų632.1 Ų32.13%0.03117%0.172CC..Hα-helixtrans-71.5-39.6176.4-62.4177.8000112.1G14 L15 V20 E21 D22 F658 K659 D662G14-L18 WeakPolarHBondContact O-CG 3.43Å; G14-L18 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 3.41Å; L18-V20 PolarHBondContact O-N 2.97Å; L18-E21 WeakPolarHBondContact O-CA 3.4Å; L18-E21 WeakPolarHBondContact O-CB 3.48Å; L18-E21 PolarHBondContact O-N 3.19Å; L18-D22 PolarHBondContact O-N 2.96Å; L18-F658 HydrophobicContact CD1-CB 4.39Å; L18-K659 HydrophobicContact CD1-CG 4.05Å; L18-K659 HydrophobicContact CD2-CD 4.2Å; L18-K659 HydrophobicContact CD2-CG 3.53Å; L18-K659 HydrophobicContact CG-CG 4.46Å; L18-D662 HydrophobicContact CD1-CB 3.65Å
19L97.7Very high95.7Very high0 Ų025.4 Ų25.40%014%0.141CC..Hα-helixtrans-60.1-32174.6-177.264.8000112.3L9 L15 F16 F23 L97 A141 H145L9-L19 HydrophobicContact CD1-CD2 4.07Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 3.24Å; F16-L19 PolarHBondContact O-N 2.96Å; L19-F23 HydrophobicContact CD1-CD1 4.27Å; L19-F23 HydrophobicContact CD1-CE1 3.52Å; L19-F23 HydrophobicContact CD1-CE2 4.3Å; L19-F23 HydrophobicContact CD1-CZ 3.54Å; L19-F23 HydrophobicContact CD2-CE2 4.45Å; L19-F23 HydrophobicContact CD2-CZ 4.14Å; L19-F23 HydrophobicContact CG-CE1 4.08Å; L19-F23 HydrophobicContact CG-CE2 3.96Å; L19-F23 HydrophobicContact CG-CZ 3.67Å; L19-F23 WeakPolarHBondContact O-CD2 3.32Å; L19-F23 WeakPolarHBondContact O-CG 3.27Å; L19-F23 PolarHBondContact O-N 2.96Å; L19-F23 VanDerWaalsContact O-N 3.09Å; L19-L97 HydrophobicContact CD2-CD2 3.92Å; L19-L97 HydrophobicContact CG-CD2 4.13Å; L19-A141 HydrophobicContact CD1-CB 4.18Å; L19-A141 WeakPolarHBondContact CD1-O 3.39Å; L19-H145 PolarHBondContact N-NE2 3.32Å
20V97.4Very high95.9Very high0 Ų024.9 Ų24.90%014%0.138CC..Hα-helixtrans-66.9-45.5170.6170.10000111.6F16 T17 L18 F23 V25 V28 V30 L97 L101F16-V20 VanDerWaalsContact O-CG2 3.3Å; F16-V20 WeakPolarHBondContact O-CG2 3.31Å; F16-V20 PolarHBondContact O-N 2.92Å; F16-V20 VanDerWaalsContact O-N 3.1Å; T17-V20 PolarHBondContact O-N 3.36Å; L18-V20 PolarHBondContact O-N 2.97Å; V20-F23 PolarHBondContact O-N 3.31Å; V20-V25 HydrophobicContact CG1-CB 3.73Å; V20-V25 HydrophobicContact CG1-CG1 3.89Å; V20-V25 WeakPolarHBondContact O-CB 3.5Å; V20-V25 PolarHBondContact O-N 3.02Å; V20-V28 HydrophobicContact CG1-CB 3.92Å; V20-V28 HydrophobicContact CG1-CG1 4.08Å; V20-V30 HydrophobicContact CG2-CG2 4.39Å; V20-L97 HydrophobicContact CG2-CD1 3.78Å; V20-L97 HydrophobicContact CG2-CD2 3.79Å; V20-L97 HydrophobicContact CG2-CG 4.22Å; V20-L101 HydrophobicContact CG2-CD1 4.4Å
21E96.2Very high96.1Very high52 Ų5222.5 Ų22.524%0.24313%0.127CC..Hα-helixtrans-59.5-45.4174.6-68.2-176.1178.500111.2T17 L18 F23 G24 R239 R655 K659T17-E21 PolarHBondContact O-N 2.86Å; L18-E21 WeakPolarHBondContact O-CA 3.4Å; L18-E21 WeakPolarHBondContact O-CB 3.48Å; L18-E21 PolarHBondContact O-N 3.19Å; E21-F23 PolarHBondContact O-N 3.19Å; E21-G24 WeakPolarHBondContact O-CA 3.4Å; E21-G24 PolarHBondContact O-N 2.86Å; E21-R239 IonicContact OE1-NH2 2.68Å; E21-R655 IonicContact OE1-CZ 3.86Å; E21-R655 IonicContact OE1-NH1 3.87Å; E21-R655 PolarHBondContact OE1-NH1 3.04Å; E21-K659 IonicContact OE2-NZ 2.71Å; E21-K659 PolarHBondContact OE2-NZ 2.95Å
22D96.9Very high96.2Very high93 Ų9323.4 Ų23.450%0.49713%0.127SC..Hα-helixtrans-72.1-23.4-177.7-91.328.2000113.9L18 G24 A141 H145L18-D22 PolarHBondContact O-N 2.96Å; D22-G24 PolarHBondContact O-N 2.91Å; D22-A141 HydrophobicContact CB-CB 3.91Å; D22-H145 IonicContact OD2-NE2 3.75Å
23F96.9Very high96.1Very high3 Ų323.6 Ų23.61%0.01313%0.128CC..THydrogen-bonded Turntrans-71-7.8165.6-68.5-14.4000113.3L19 V20 E21 V25 T94 L97 L98 L113 L138 A141L19-F23 HydrophobicContact CD1-CD1 4.27Å; L19-F23 HydrophobicContact CD1-CE1 3.52Å; L19-F23 HydrophobicContact CD1-CE2 4.3Å; L19-F23 HydrophobicContact CD1-CZ 3.54Å; L19-F23 HydrophobicContact CD2-CE2 4.45Å; L19-F23 HydrophobicContact CD2-CZ 4.14Å; L19-F23 HydrophobicContact CG-CE1 4.08Å; L19-F23 HydrophobicContact CG-CE2 3.96Å; L19-F23 HydrophobicContact CG-CZ 3.67Å; L19-F23 WeakPolarHBondContact O-CD2 3.32Å; L19-F23 WeakPolarHBondContact O-CG 3.27Å; L19-F23 PolarHBondContact O-N 2.96Å; L19-F23 VanDerWaalsContact O-N 3.09Å; V20-F23 PolarHBondContact O-N 3.31Å; E21-F23 PolarHBondContact O-N 3.19Å; F23-V25 HydrophobicContact CB-CG2 4.21Å; F23-T94 HydrophobicContact CE2-CG2 4.08Å; F23-T94 HydrophobicContact CZ-CG2 3.58Å; F23-L97 HydrophobicContact CE2-CD2 4Å; F23-L98 HydrophobicContact CD2-CD2 4.21Å; F23-L98 HydrophobicContact CE2-CD2 4.08Å; F23-L98 HydrophobicContact CE2-CG 4.4Å; F23-L113 HydrophobicContact CB-CD1 4.24Å; F23-L113 HydrophobicContact CB-CD2 4.3Å; F23-L113 HydrophobicContact CB-CG 4.23Å; F23-L113 HydrophobicContact CD2-CD1 4.32Å; F23-L113 HydrophobicContact CD2-CD2 4.49Å; F23-L113 HydrophobicContact CG-CD2 4.44Å; F23-L138 HydrophobicContact CD1-CD2 3.59Å; F23-L138 HydrophobicContact CD2-CD2 4.47Å; F23-L138 HydrophobicContact CE1-CB 4.33Å; F23-L138 HydrophobicContact CE1-CD2 3.62Å; F23-L138 HydrophobicContact CG-CD2 4.05Å; F23-L138 HydrophobicContact CZ-CD2 4.1Å; F23-A141 HydrophobicContact CD1-CB 3.86Å; F23-A141 HydrophobicContact CE1-CB 3.82Å
24G95.7Very high95.7Very high34 Ų3431.6 Ų31.635%0.35116%0.157SC..THydrogen-bonded Turntrans84.312-178.500000114.2E21 D22 G110E21-G24 WeakPolarHBondContact O-CA 3.4Å; E21-G24 PolarHBondContact O-N 2.86Å; D22-G24 PolarHBondContact O-N 2.91Å; G24-G110 VanDerWaalsContact O-CA 3.26Å; G24-G110 WeakPolarHBondContact O-CA 3.3Å
25V96.7Very high95.3Very high7 Ų735 Ų354%0.04218%0.176CC..  trans-78.6138.8178-177.70000109.4V20 F23 V28 L101 V107 E108 L113V20-V25 HydrophobicContact CG1-CB 3.73Å; V20-V25 HydrophobicContact CG1-CG1 3.89Å; V20-V25 WeakPolarHBondContact O-CB 3.5Å; V20-V25 PolarHBondContact O-N 3.02Å; F23-V25 HydrophobicContact CB-CG2 4.21Å; V25-V28 HydrophobicContact CG1-CB 4.31Å; V25-V28 HydrophobicContact CG1-CG2 4.1Å; V25-L101 HydrophobicContact CG1-CD2 4.32Å; V25-L101 HydrophobicContact CG2-CD1 4.34Å; V25-V107 HydrophobicContact CG1-CG1 3.6Å; V25-E108 WeakPolarHBondContact CA-O 3.26Å; V25-L113 HydrophobicContact CG2-CD1 3.43Å; V25-L113 VanDerWaalsContact CG2-CD1 3.43Å; V25-L113 HydrophobicContact CG2-CG 4.13Å
26K93.5Very high94.7Very high137 Ų13735.9 Ų35.960%0.59618%0.18SC*.BIsolated β-bridgetrans-112.2151.8178.5-63.9-177.9-170.4166.80112.4V28 E108K26-V28 VanDerWaalsContact C-N 3.28Å; K26-V28 PolarHBondContact O-N 3.28Å; K26-E108 HydrophobicContact CB-CB 4.06Å; K26-E108 WeakPolarHBondContact CD-OE2 3.47Å; K26-E108 PolarHBondContact N-O 3Å; K26-E108 IonicContact NZ-OE2 3.25Å
27G93.5Very high93.8Very high16 Ų1643.5 Ų43.517%0.16522%0.216CC..SBendtrans71.818.5168.500000115.3P236 D237G27-P236 CarbonylContact O-C 3.49Å; G27-P236 VanDerWaalsContact O-CA 3.29Å; G27-P236 WeakPolarHBondContact O-CA 3.35Å; G27-D237 PolarHBondContact O-N 2.89Å
28V96.1Very high92.9Very high4 Ų445.4 Ų45.42%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-123.7143.1179.3176.50000109.6V20 V25 K26 Y45 L101 V107 V234 V235V20-V28 HydrophobicContact CG1-CB 3.92Å; V20-V28 HydrophobicContact CG1-CG1 4.08Å; V25-V28 HydrophobicContact CG1-CB 4.31Å; V25-V28 HydrophobicContact CG1-CG2 4.1Å; K26-V28 VanDerWaalsContact C-N 3.28Å; K26-V28 PolarHBondContact O-N 3.28Å; V28-Y45 HydrophobicContact CG2-CD2 4.43Å; V28-Y45 HydrophobicContact CG2-CE2 3.94Å; V28-L101 HydrophobicContact CG1-CD2 4.23Å; V28-V107 HydrophobicContact CG2-CB 4.36Å; V28-V107 HydrophobicContact CG2-CG1 3.64Å; V28-V107 HydrophobicContact CG2-CG2 3.81Å; V28-V234 HydrophobicContact CG1-CG1 3.45Å; V28-V234 VanDerWaalsContact CG1-CG1 3.45Å; V28-V235 CarbonylContact C-O 3.51Å; V28-V235 WeakPolarHBondContact CA-O 3.3Å
29Q95.9Very high91.9Very high3 Ų350.1 Ų50.11%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-136.4168.6167.669.3-172.347.700110.9T17 E31 V235 D237 R238 E651T17-Q29 HydrophobicContact CG2-CB 3.82Å; Q29-E31 HydrophobicContact CG-CG 4.37Å; Q29-E31 PolarHBondContact NE2-OE1 2.81Å; Q29-V235 HydrophobicContact CG-CG2 3.77Å; Q29-V235 PolarHBondContact N-O 3.06Å; Q29-V235 PolarHBondContact O-N 3.12Å; Q29-V235 VanDerWaalsContact O-O 3.08Å; Q29-D237 PolarHBondContact OE1-OD1 3.45Å; Q29-R238 VanDerWaalsContact OE1-N 3.08Å; Q29-E651 PolarHBondContact NE2-OE1 3.39Å; Q29-E651 PolarHBondContact OE1-OE1 3.02Å
30V96.9Very high90.9Very high2 Ų251.3 Ų51.31%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-119.1134.5179.5-177.20000109.1P13 F16 T17 V20 L97 M232 A233 V234P13-V30 WeakPolarHBondContact CB-O 3.22Å; F16-V30 HydrophobicContact CB-CB 3.93Å; F16-V30 HydrophobicContact CB-CG1 3.93Å; F16-V30 HydrophobicContact CB-CG2 3.97Å; T17-V30 PolarHBondContact OG1-N 3.29Å; T17-V30 PolarHBondContact OG1-O 2.89Å; V20-V30 HydrophobicContact CG2-CG2 4.39Å; V30-L97 HydrophobicContact CG2-CD1 4.42Å; V30-M232 HydrophobicContact CG1-CB 3.68Å; V30-M232 HydrophobicContact CG1-CG 4.06Å; V30-M232 HydrophobicContact CG1-SD 3.7Å; V30-A233 WeakPolarHBondContact CA-O 2.99Å; V30-V234 HydrophobicContact CG2-CG2 4.34Å
31E94.8Very high89.5Confident24 Ų2456.5 Ų56.511%0.11228%0.281CS..EExtended strand (participates in β ladder)trans-131.3139.8-174.4-59.9-167.5151.300111Q29 M232 A233 V235 R238 K654Q29-E31 HydrophobicContact CG-CG 4.37Å; Q29-E31 PolarHBondContact NE2-OE1 2.81Å; E31-M232 CarbonylContact O-C 3.14Å; E31-M232 WeakPolarHBondContact O-CA 3.49Å; E31-A233 PolarHBondContact N-O 2.86Å; E31-A233 PolarHBondContact O-N 2.77Å; E31-V235 HydrophobicContact CG-CG2 3.76Å; E31-R238 WeakPolarHBondContact OE1-CD 3.22Å; E31-R238 IonicContact OE1-CZ 3.98Å; E31-R238 IonicContact OE1-NE 2.73Å; E31-R238 PolarHBondContact OE1-NE 2.78Å; E31-R238 IonicContact OE1-NH2 3.58Å; E31-R238 PolarHBondContact OE1-NH2 2.67Å; E31-R238 IonicContact OE2-CZ 3.48Å; E31-R238 IonicContact OE2-NE 3.76Å; E31-R238 PolarHBondContact OE2-NE 2.82Å; E31-R238 IonicContact OE2-NH2 2.67Å; E31-R238 PolarHBondContact OE2-NH2 3.4Å; E31-K654 IonicContact OE1-NZ 2.64Å
32E94.8Very high88.4Confident58 Ų5855.4 Ų55.427%0.27128%0.28SS..EExtended strand (participates in β ladder)trans-82139.4177.6-171.4171.8-167.400111.4P13 Y34 N230P13-E32 HydrophobicContact CB-CB 4.49Å; P13-E32 HydrophobicContact CG-CB 4.06Å; E32-Y34 HydrophobicContact CB-CE1 4.24Å; E32-Y34 HydrophobicContact CB-CE2 4.46Å; E32-Y34 HydrophobicContact CG-CD1 4.11Å; E32-Y34 HydrophobicContact CG-CE1 3.57Å; E32-Y34 VanDerWaalsContact OE2-CE1 3.28Å; E32-Y34 WeakPolarHBondContact OE2-CE1 3.33Å; E32-Y34 VanDerWaalsContact OE2-CZ 3.28Å; E32-Y34 PolarHBondContact OE2-OH 3.03Å; E32-N230 PolarHBondContact OE1-ND2 2.86Å
33I92.5Very high88Confident41 Ų4155.6 Ų55.621%0.2129%0.286CS..  trans-108.494.4-176.5-56.4-61000109.3F47 L231 A233I33-F47 HydrophobicContact CG1-CE1 4.37Å; I33-L231 HydrophobicContact CB-CB 4.33Å; I33-L231 HydrophobicContact CB-CD2 3.98Å; I33-L231 HydrophobicContact CB-CG 3.98Å; I33-L231 HydrophobicContact CG1-CG 4.31Å; I33-L231 HydrophobicContact CG2-CD2 3.95Å; I33-L231 PolarHBondContact N-O 3.33Å; I33-A233 HydrophobicContact CD1-CB 3.86Å; I33-A233 HydrophobicContact CG1-CB 4Å
34Y88.7Confident87.8Confident182 Ų18256.1 Ų56.171%0.71429%0.289SS*.  trans-75.2-33.6179.6-56.2-63.6000113.7E32E32-Y34 HydrophobicContact CB-CE1 4.24Å; E32-Y34 HydrophobicContact CB-CE2 4.46Å; E32-Y34 HydrophobicContact CG-CD1 4.11Å; E32-Y34 HydrophobicContact CG-CE1 3.57Å; E32-Y34 VanDerWaalsContact OE2-CE1 3.28Å; E32-Y34 WeakPolarHBondContact OE2-CE1 3.33Å; E32-Y34 VanDerWaalsContact OE2-CZ 3.28Å; E32-Y34 PolarHBondContact OE2-OH 3.03Å
35D87.2Confident87.8Confident73 Ų7356.4 Ų56.439%0.3928%0.28SS..  trans-119.4109.1178.8177.833.7000112.8Q37 S38D35-Q37 PolarHBondContact O-N 3.17Å; D35-Q37 VanDerWaalsContact OD1-CB 3.32Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.5Å; D35-Q37 PolarHBondContact OD1-N 2.97Å; D35-S38 PolarHBondContact O-OG 3.45Å; D35-S38 WeakPolarHBondContact OD2-CB 3.16Å; D35-S38 PolarHBondContact OD2-N 2.95Å
36L83.1Confident87.8Confident18 Ų1856.1 Ų56.19%0.09428%0.278CS..SBendtrans-68.6-15.1172.6-86.6157.3000113.9R208 I211 M212 I215 L217 L231L36-R208 HydrophobicContact CD2-CB 4.44Å; L36-R208 HydrophobicContact CD2-CG 4.34Å; L36-R208 VanDerWaalsContact O-CZ 3.25Å; L36-R208 PolarHBondContact O-NE 2.75Å; L36-R208 PolarHBondContact O-NH2 3.49Å; L36-I211 HydrophobicContact CD1-CG2 4.37Å; L36-I211 HydrophobicContact CD2-CB 4.47Å; L36-I211 HydrophobicContact CD2-CG2 4.08Å; L36-M212 HydrophobicContact CB-CG 4.04Å; L36-M212 HydrophobicContact CB-SD 4.16Å; L36-M212 HydrophobicContact CD1-CG 4.14Å; L36-M212 HydrophobicContact CD2-CG 4.23Å; L36-M212 HydrophobicContact CG-CG 4.38Å; L36-I215 HydrophobicContact CD1-CD1 3.72Å; L36-L217 HydrophobicContact CD1-CD1 4.31Å; L36-L231 HydrophobicContact CD2-CD2 3.6Å; L36-L231 HydrophobicContact CG-CD2 4.09Å
37Q79.9Confident88Confident161 Ų16149.7 Ų49.775%0.75225%0.25SS*.SBendtrans-81.4-33.9177.4-56.1-169.58.100112.2D35 R208D35-Q37 PolarHBondContact O-N 3.17Å; D35-Q37 VanDerWaalsContact OD1-CB 3.32Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.5Å; D35-Q37 PolarHBondContact OD1-N 2.97Å; Q37-R208 PolarHBondContact O-NH2 3.49Å; Q37-R208 VanDerWaalsContact O-NH2 3.09Å
38S78.8Confident88.2Confident40 Ų4048.9 Ų48.928%0.2824%0.242SC..SBendtrans-57.5148.7172.377.10000112.9D35 R208D35-S38 PolarHBondContact O-OG 3.45Å; D35-S38 WeakPolarHBondContact OD2-CB 3.16Å; D35-S38 PolarHBondContact OD2-N 2.95Å; S38-R208 PolarHBondContact O-NE 3.21Å; S38-R208 VanDerWaalsContact O-NE 3.13Å
39K77.1Confident88.2Confident104 Ų10448.9 Ų48.945%0.45224%0.242SC..  trans-87.8146.6167.3-75.1-151.5177.8-152.70110.7H41 D205K39-H41 PolarHBondContact O-CE1 3.39Å; K39-H41 PolarHBondContact O-N 3.44Å; K39-H41 PolarHBondContact O-ND1 3.22Å; K39-D205 WeakPolarHBondContact CE-OD1 3.27Å; K39-D205 VanDerWaalsContact CE-OD2 3.27Å; K39-D205 WeakPolarHBondContact CE-OD2 3.22Å; K39-D205 IonicContact NZ-OD1 3.88Å; K39-D205 IonicContact NZ-OD2 3.52Å; K39-D205 PolarHBondContact NZ-OD2 3.46Å
40C77.3Confident88.1Confident26 Ų2649.4 Ų49.418%0.17625%0.245CC..  trans-73.5114.6172.9-59.60000109.9S42 V44C40-S42 PolarHBondContact O-N 3.32Å; C40-V44 HydrophobicContact CB-CG2 3.8Å
41H66.6Low87.7Confident108 Ų10851.5 Ų51.550%0.525%0.254SS..SBendtrans-84.410.2-178.9-6578.3000113.6K39K39-H41 PolarHBondContact O-CE1 3.39Å; K39-H41 PolarHBondContact O-N 3.44Å; K39-H41 PolarHBondContact O-ND1 3.22Å
42S74.1Confident87.2Confident30 Ų3052.4 Ų52.421%0.2126%0.257CS..SBendtrans-135146.7179.8178.90000107.9C40 V44C40-S42 PolarHBondContact O-N 3.32Å; S42-V44 PolarHBondContact O-N 3.48Å
43P87.4Confident86.2Confident97 Ų9753.1 Ų53.163%0.6326%0.258SS*.  trans-52.9138.1165.724-34.7000110.2P236P43-P236 HydrophobicContact CG-CG 4.08Å; P43-P236 WeakPolarHBondContact O-CD 3.06Å
44V93.6Very high85.1Confident13 Ų1354.2 Ų54.28%0.07926%0.263CS..  trans-116.3137.3177.9-177.60000107.4C40 S42 G46 F47 W203 T204 A233 V235C40-V44 HydrophobicContact CB-CG2 3.8Å; S42-V44 PolarHBondContact O-N 3.48Å; V44-G46 WeakPolarHBondContact CG1-O 3.31Å; V44-F47 HydrophobicContact CG1-CE1 4.23Å; V44-F47 HydrophobicContact CG1-CE2 4.37Å; V44-F47 HydrophobicContact CG1-CZ 4.14Å; V44-W203 HydrophobicContact CB-CH2 4.45Å; V44-W203 HydrophobicContact CB-CZ2 3.77Å; V44-W203 HydrophobicContact CG1-CH2 4.02Å; V44-W203 HydrophobicContact CG1-CZ2 3.79Å; V44-W203 WeakPolarHBondContact O-CZ2 3.38Å; V44-T204 HydrophobicContact CB-CG2 4.22Å; V44-T204 HydrophobicContact CG2-CG2 4.24Å; V44-A233 HydrophobicContact CG1-CB 3.99Å; V44-V235 HydrophobicContact CB-CG1 4.48Å; V44-V235 HydrophobicContact CG1-CG1 4.45Å; V44-V235 HydrophobicContact CG2-CG1 4.07Å
45Y95.8Very high83.7Confident41 Ų4151.7 Ų51.716%0.16126%0.258CS..SBendtrans-87.8-27.3177.3-63.2-66.8000112.9V28 C104 G106 V107 V234 P236V28-Y45 HydrophobicContact CG2-CD2 4.43Å; V28-Y45 HydrophobicContact CG2-CE2 3.94Å; Y45-C104 HydrophobicContact CD1-CB 4.03Å; Y45-C104 HydrophobicContact CG-CB 4.44Å; Y45-G106 PolarHBondContact OH-O 3.22Å; Y45-V107 HydrophobicContact CD1-CG2 3.77Å; Y45-V107 HydrophobicContact CD2-CG2 4.12Å; Y45-V107 HydrophobicContact CE1-CG2 3.38Å; Y45-V107 HydrophobicContact CE2-CG2 3.78Å; Y45-V107 HydrophobicContact CG-CG2 4.1Å; Y45-V234 HydrophobicContact CD2-CG1 4.33Å; Y45-V234 PolarHBondContact N-O 3.04Å; Y45-P236 HydrophobicContact CE2-CB 4.44Å; Y45-P236 HydrophobicContact CE2-CG 3.79Å
46G96.2Very high81.6Confident0 Ų053.1 Ų53.10%026%0.262CS..EExtended strand (participates in β ladder)trans174.8163.3177.600000110.8V44 Y174 V234V44-G46 WeakPolarHBondContact CG1-O 3.31Å; G46-Y174 CarbonylContact C-O 3.6Å; G46-Y174 VanDerWaalsContact CA-O 3.22Å; G46-Y174 WeakPolarHBondContact CA-O 3.39Å; G46-V234 PolarHBondContact O-N 3.44Å
47F97.4Very high80Confident2 Ų260 Ų601%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-105.1148.2169.7-61.6-81.8000111I33 V44 S173 Y174 W203 A207 L231 M232 A233I33-F47 HydrophobicContact CG1-CE1 4.37Å; V44-F47 HydrophobicContact CG1-CE1 4.23Å; V44-F47 HydrophobicContact CG1-CE2 4.37Å; V44-F47 HydrophobicContact CG1-CZ 4.14Å; F47-S173 CarbonylContact O-C 3.52Å; F47-S173 VanDerWaalsContact O-CA 3.29Å; F47-S173 WeakPolarHBondContact O-CA 3.08Å; F47-Y174 PolarHBondContact N-O 3.44Å; F47-Y174 PolarHBondContact O-N 3.34Å; F47-W203 AromaticContact CD2-CH2 3.47Å; F47-W203 HydrophobicContact CD2-CH2 3.47Å; F47-W203 VanDerWaalsContact CD2-CH2 3.47Å; F47-W203 AromaticContact CD2-CZ3 3.61Å; F47-W203 HydrophobicContact CD2-CZ3 3.61Å; F47-W203 AromaticContact CE2-CH2 3.44Å; F47-W203 HydrophobicContact CE2-CH2 3.44Å; F47-W203 VanDerWaalsContact CE2-CH2 3.44Å; F47-W203 HydrophobicContact CE2-CZ2 4.28Å; F47-W203 AromaticContact CE2-CZ3 3.63Å; F47-W203 HydrophobicContact CE2-CZ3 3.63Å; F47-W203 HydrophobicContact CZ-CH2 4.47Å; F47-A207 HydrophobicContact CD2-CB 3.88Å; F47-A207 HydrophobicContact CE2-CB 3.82Å; F47-L231 HydrophobicContact CB-CD1 3.93Å; F47-L231 HydrophobicContact CD1-CD1 4.18Å; F47-L231 HydrophobicContact CD1-CG 4.5Å; F47-L231 HydrophobicContact CG-CD1 4.34Å; F47-M232 CarbonylContact C-O 3.6Å; F47-M232 VanDerWaalsContact CA-O 3.26Å; F47-M232 WeakPolarHBondContact CA-O 3.44Å; F47-A233 HydrophobicContact CD1-CB 3.86Å; F47-A233 HydrophobicContact CE1-CB 3.83Å
48I97.8Very high78.6Confident0 Ų057.8 Ų57.80%027%0.272CS..EExtended strand (participates in β ladder)trans-115117.4170.7-64.3173.1000106.7F16 A96 L97 V100 F171 M232 V234F16-I48 HydrophobicContact CD1-CD1 4.08Å; F16-I48 HydrophobicContact CE1-CD1 4.06Å; F16-I48 HydrophobicContact CE1-CG2 4.34Å; I48-A96 HydrophobicContact CG2-CB 4.12Å; I48-L97 HydrophobicContact CD1-CB 4.15Å; I48-L97 HydrophobicContact CD1-CD1 3.95Å; I48-V100 HydrophobicContact CG1-CG2 4.05Å; I48-F171 HydrophobicContact CG2-CD1 3.6Å; I48-F171 HydrophobicContact CG2-CE1 4.28Å; I48-F171 HydrophobicContact CG2-CG 4.47Å; I48-M232 HydrophobicContact CB-CB 4.43Å; I48-M232 HydrophobicContact CG2-CE 4.26Å; I48-M232 PolarHBondContact N-O 2.86Å; I48-M232 PolarHBondContact O-N 3.01Å; I48-V234 HydrophobicContact CD1-CG2 3.84Å; I48-V234 HydrophobicContact CG1-CG2 4.21Å
49F96Very high76.9Confident4 Ų459.3 Ų59.32%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-112.8119.1-178.2-179.6-113.4000110.6F51 F171 V172 Y174 I211 R214 I215 F229 N230 L231F49-F51 AromaticContact CD1-CD1 3.74Å; F49-F51 HydrophobicContact CD1-CD1 3.74Å; F49-F51 HydrophobicContact CD1-CE1 4.49Å; F49-F51 HydrophobicContact CD1-CG 4.5Å; F49-F51 HydrophobicContact CE1-CB 3.82Å; F49-F51 AromaticContact CE1-CD1 3.69Å; F49-F51 HydrophobicContact CE1-CD1 3.69Å; F49-F51 HydrophobicContact CE1-CG 4.01Å; F49-F51 HydrophobicContact CZ-CB 4.14Å; F49-F171 WeakPolarHBondContact O-CA 3.17Å; F49-V172 HydrophobicContact CB-CG2 4.16Å; F49-V172 HydrophobicContact CD1-CG2 4.13Å; F49-V172 PolarHBondContact N-O 2.89Å; F49-V172 PolarHBondContact O-N 2.92Å; F49-Y174 HydrophobicContact CB-CD2 4.27Å; F49-Y174 HydrophobicContact CB-CE2 3.87Å; F49-Y174 HydrophobicContact CD1-CE2 4.48Å; F49-Y174 HydrophobicContact CG-CE2 4.42Å; F49-I211 HydrophobicContact CD2-CG2 4.2Å; F49-I211 HydrophobicContact CE2-CG2 4.16Å; F49-R214 HydrophobicContact CE1-CG 4.47Å; F49-I215 HydrophobicContact CE2-CD1 3.88Å; F49-I215 HydrophobicContact CE2-CG1 4.1Å; F49-I215 HydrophobicContact CZ-CD1 4.13Å; F49-I215 HydrophobicContact CZ-CG1 3.8Å; F49-F229 HydrophobicContact CE2-CB 3.8Å; F49-F229 AromaticContact CE2-CD2 3.98Å; F49-F229 HydrophobicContact CE2-CD2 3.98Å; F49-F229 HydrophobicContact CE2-CG 4.13Å; F49-F229 HydrophobicContact CZ-CB 3.91Å; F49-F229 HydrophobicContact CZ-CG 4.43Å; F49-N230 WeakPolarHBondContact CD2-O 3.15Å; F49-L231 HydrophobicContact CB-CD1 4.17Å; F49-L231 HydrophobicContact CD2-CB 4.37Å; F49-L231 HydrophobicContact CD2-CD1 4.14Å
50L93.8Very high75.4Confident14 Ų1463.7 Ų63.77%0.07330%0.296CS..EExtended strand (participates in β ladder)trans-97.2136.5173.4-174.860.9000109.9S11 F169 H170 F171 F229 N230S11-L50 VanDerWaalsContact CB-CD2 3.44Å; S11-L50 WeakPolarHBondContact OG-CD2 3.46Å; L50-F169 HydrophobicContact CD1-CB 3.67Å; L50-F169 HydrophobicContact CD1-CD1 4.48Å; L50-F169 HydrophobicContact CD2-CB 4.47Å; L50-F169 HydrophobicContact CD2-CD1 4.37Å; L50-F169 HydrophobicContact CG-CB 4.23Å; L50-F169 HydrophobicContact CG-CD1 4.17Å; L50-H170 WeakPolarHBondContact CA-O 3.42Å; L50-H170 WeakPolarHBondContact CD1-O 3.35Å; L50-F171 HydrophobicContact CB-CD1 3.87Å; L50-F171 HydrophobicContact CB-CE1 3.79Å; L50-F171 HydrophobicContact CB-CZ 4.5Å; L50-F171 HydrophobicContact CD1-CD1 3.73Å; L50-F171 HydrophobicContact CD1-CD2 3.75Å; L50-F171 HydrophobicContact CD1-CE1 3.71Å; L50-F171 HydrophobicContact CD1-CE2 3.72Å; L50-F171 HydrophobicContact CD1-CG 3.76Å; L50-F171 HydrophobicContact CD1-CZ 3.71Å; L50-F171 HydrophobicContact CD2-CE1 3.93Å; L50-F171 HydrophobicContact CD2-CZ 3.87Å; L50-F171 HydrophobicContact CG-CD1 4.29Å; L50-F171 HydrophobicContact CG-CE1 4.02Å; L50-F171 HydrophobicContact CG-CZ 4.24Å; L50-F229 CarbonylContact O-C 3.58Å; L50-F229 WeakPolarHBondContact O-CA 3.36Å; L50-F229 VanDerWaalsContact O-CB 3.27Å; L50-F229 WeakPolarHBondContact O-CB 3.24Å; L50-N230 HydrophobicContact CB-CB 3.83Å; L50-N230 HydrophobicContact CD2-CB 4.18Å; L50-N230 PolarHBondContact N-O 3.45Å; L50-N230 PolarHBondContact O-N 3.08Å
51F89.1Confident74Confident45 Ų4570.8 Ų70.820%0.19732%0.319CS..EExtended strand (participates in β ladder)trans-145.5154.717160.9-77.5000110.5F49 W53 H170 V172 R214F49-F51 AromaticContact CD1-CD1 3.74Å; F49-F51 HydrophobicContact CD1-CD1 3.74Å; F49-F51 HydrophobicContact CD1-CE1 4.49Å; F49-F51 HydrophobicContact CD1-CG 4.5Å; F49-F51 HydrophobicContact CE1-CB 3.82Å; F49-F51 AromaticContact CE1-CD1 3.69Å; F49-F51 HydrophobicContact CE1-CD1 3.69Å; F49-F51 HydrophobicContact CE1-CG 4.01Å; F49-F51 HydrophobicContact CZ-CB 4.14Å; F51-W53 PolarHBondContact O-N 3.23Å; F51-H170 WeakPolarHBondContact CD1-O 3.41Å; F51-H170 HydrophobicContact CZ-CB 4.32Å; F51-H170 PolarHBondContact N-O 2.62Å; F51-H170 PolarHBondContact O-N 3.45Å; F51-V172 HydrophobicContact CE1-CG1 3.89Å; F51-V172 HydrophobicContact CE1-CG2 4Å; F51-V172 HydrophobicContact CZ-CG1 4.44Å; F51-R214 VanDerWaalsContact CZ-NH2 3.27Å
52K84.3Confident72.8Confident43 Ų4375 Ų7519%0.18734%0.336CS..EExtended strand (participates in β ladder)trans-58.9125.9172.1179.5-178.5165.1-172.30110.6I54 E167 F169 R228K52-I54 HydrophobicContact CG-CG1 4.47Å; K52-I54 PolarHBondContact O-N 3.04Å; K52-E167 HydrophobicContact CD-CB 4.31Å; K52-E167 HydrophobicContact CD-CG 4.5Å; K52-E167 WeakPolarHBondContact CE-OE1 3.42Å; K52-E167 IonicContact NZ-OE1 2.74Å; K52-E167 PolarHBondContact NZ-OE1 3.2Å; K52-F169 HydrophobicContact CB-CD1 4.23Å; K52-F169 HydrophobicContact CB-CE1 3.92Å; K52-F169 HydrophobicContact CB-CZ 4.35Å; K52-R228 PolarHBondContact N-O 3.02Å
53W74.3Confident71.2Confident74 Ų7478.5 Ų78.528%0.2836%0.356SS..  trans-75.9122.7176-168.674.4000110.2F51 E55 A168 H170F51-W53 PolarHBondContact O-N 3.23Å; W53-E55 HydrophobicContact CE3-CB 4.1Å; W53-E55 HydrophobicContact CH2-CB 3.91Å; W53-E55 HydrophobicContact CH2-CG 3.74Å; W53-E55 HydrophobicContact CZ2-CG 4.46Å; W53-E55 HydrophobicContact CZ3-CB 3.67Å; W53-E55 HydrophobicContact CZ3-CG 3.93Å; W53-A168 HydrophobicContact CB-CB 4.35Å; W53-A168 WeakPolarHBondContact CB-O 3.2Å; W53-A168 HydrophobicContact CE3-CB 4.25Å; W53-A168 PolarHBondContact N-O 3.02Å; W53-H170 HydrophobicContact CB-CB 4.24Å; W53-H170 HydrophobicContact CG-CB 4.46Å
54I69.1Low68.8Low64 Ų6479.7 Ų79.733%0.32836%0.357SS..  trans-116.285.5-178-50.6176.6000109.4K52 E56 R57K52-I54 HydrophobicContact CG-CG1 4.47Å; K52-I54 PolarHBondContact O-N 3.04Å; I54-E56 HydrophobicContact CG2-CB 4.46Å; I54-E56 PolarHBondContact O-N 2.71Å; I54-R57 HydrophobicContact CB-CB 4.2Å; I54-R57 HydrophobicContact CG2-CB 3.96Å; I54-R57 WeakPolarHBondContact O-CB 3.29Å; I54-R57 PolarHBondContact O-N 3.25Å
55E59.7Low66.5Low128 Ų12885.3 Ų85.360%0.59839%0.391SS*.THydrogen-bonded Turntrans-52.6-39.8178.6-167.7172.3-152.200112.7W53 R57 R58 S59W53-E55 HydrophobicContact CE3-CB 4.1Å; W53-E55 HydrophobicContact CH2-CB 3.91Å; W53-E55 HydrophobicContact CH2-CG 3.74Å; W53-E55 HydrophobicContact CZ2-CG 4.46Å; W53-E55 HydrophobicContact CZ3-CB 3.67Å; W53-E55 HydrophobicContact CZ3-CG 3.93Å; E55-R57 PolarHBondContact O-N 3.48Å; E55-R58 PolarHBondContact O-N 3.02Å; E55-S59 PolarHBondContact O-N 3.13Å
56E42.7Very low64.2Low103 Ų10389.6 Ų89.648%0.48142%0.416SS..Hα-helixtrans-60.3-28.6178.7-169.9174.2-162.400113.5I54 R58 S59 R60I54-E56 HydrophobicContact CG2-CB 4.46Å; I54-E56 PolarHBondContact O-N 2.71Å; E56-R58 PolarHBondContact O-N 2.65Å; E56-S59 WeakPolarHBondContact CA-OG 3.42Å; E56-S59 PolarHBondContact O-N 2.67Å; E56-S59 PolarHBondContact O-OG 2.82Å; E56-R60 HydrophobicContact CG-CG 4.03Å; E56-R60 WeakPolarHBondContact O-CB 3.38Å; E56-R60 PolarHBondContact O-N 2.82Å; E56-R60 IonicContact OE1-CZ 3.7Å; E56-R60 IonicContact OE1-NE 2.62Å; E56-R60 PolarHBondContact OE1-NE 2.82Å; E56-R60 IonicContact OE1-NH2 3.14Å; E56-R60 PolarHBondContact OE1-NH2 2.96Å
57R49.3Very low62.2Low164 Ų16492.5 Ų92.562%0.61943%0.434SS*.Hα-helixtrans-75.6-13.9179.1-135.2175.3-169.5152.4-0.1112.9I54 E55 R61I54-R57 HydrophobicContact CB-CB 4.2Å; I54-R57 HydrophobicContact CG2-CB 3.96Å; I54-R57 WeakPolarHBondContact O-CB 3.29Å; I54-R57 PolarHBondContact O-N 3.25Å; E55-R57 PolarHBondContact O-N 3.48Å; R57-R61 PolarHBondContact O-NE 2.73Å
58R50.1Low60.5Low114 Ų11496.7 Ų96.743%0.4346%0.457SS..Hα-helixtrans-93-45.1165.1-69-179.1177.1175.9-2.1110.6E55 E56 R60 R61 D185E55-R58 PolarHBondContact O-N 3.02Å; E56-R58 PolarHBondContact O-N 2.65Å; R58-R60 PolarHBondContact O-N 3.01Å; R58-R61 CarbonylContact O-C 3.6Å; R58-R61 WeakPolarHBondContact O-CA 3.11Å; R58-R61 PolarHBondContact O-N 3.13Å; R58-D185 IonicContact NH2-OD2 2.78Å
59S44.3Very low59Low72 Ų72106.2 Ų106.250%0.50350%0.501SS..Hα-helixtrans-67.8-32.5-175.6770000114.8E55 E56 R61E55-S59 PolarHBondContact O-N 3.13Å; E56-S59 WeakPolarHBondContact CA-OG 3.42Å; E56-S59 PolarHBondContact O-N 2.67Å; E56-S59 PolarHBondContact O-OG 2.82Å; S59-R61 VanDerWaalsContact C-N 3.35Å
60R43.7Very low58.3Low196 Ų196108.6 Ų108.674%0.7452%0.516SS*.SBendtrans-72.3-27.8169.7-68.8-174-178.6-133.27.5112.4E56 R58 K62E56-R60 HydrophobicContact CG-CG 4.03Å; E56-R60 WeakPolarHBondContact O-CB 3.38Å; E56-R60 PolarHBondContact O-N 2.82Å; E56-R60 IonicContact OE1-CZ 3.7Å; E56-R60 IonicContact OE1-NE 2.62Å; E56-R60 PolarHBondContact OE1-NE 2.82Å; E56-R60 IonicContact OE1-NH2 3.14Å; E56-R60 PolarHBondContact OE1-NH2 2.96Å; R58-R60 PolarHBondContact O-N 3.01Å; R60-K62 PolarHBondContact O-N 2.56Å; R60-K62 VanDerWaalsContact O-N 3.12Å
61R48.2Very low58Low174 Ų174109 Ų10966%0.65752%0.52SS*.  trans-83.762.3166.3-80.3-168.8-73.2-178.7-4.7111.1R57 R58 S59 V63R57-R61 PolarHBondContact O-NE 2.73Å; R58-R61 CarbonylContact O-C 3.6Å; R58-R61 WeakPolarHBondContact O-CA 3.11Å; R58-R61 PolarHBondContact O-N 3.13Å; S59-R61 VanDerWaalsContact C-N 3.35Å; R61-V63 PolarHBondContact O-N 3.27Å
62K42.3Very low57.9Low196 Ų196107.8 Ų107.885%0.85252%0.517SS*.  trans-7251.3153.6-80.7-173.4175.4-1750110.7R60R60-K62 PolarHBondContact O-N 2.56Å; R60-K62 VanDerWaalsContact O-N 3.12Å
63V40.9Very low58.1Low105 Ų105110.1 Ų110.164%0.63653%0.53SS*.SBendtrans-122.169.9177.1-175.50000107R61R61-V63 PolarHBondContact O-N 3.27Å
64N36.7Very low58.8Low121 Ų121110.6 Ų110.665%0.64754%0.538SS*.  trans62155.8168.2-156.217.2000117.6L66N64-L66 HydrophobicContact CB-CB 4.47Å; N64-L66 HydrophobicContact CB-CG 4.03Å; N64-L66 PolarHBondContact O-N 3.37Å
65T45.7Very low59.9Low131 Ų131114.6 Ų114.680%0.80456%0.555SS**  trans-76.861.3148.648.70000108.2V67T65-V67 PolarHBondContact O-N 2.89Å; T65-V67 VanDerWaalsContact O-N 3.15Å
66L47Very low61.4Low131 Ų131116.4 Ų116.469%0.68656%0.564SS**  trans-64.8111.5157.2-86.1169000105.2N64 D68N64-L66 HydrophobicContact CB-CB 4.47Å; N64-L66 HydrophobicContact CB-CG 4.03Å; N64-L66 PolarHBondContact O-N 3.37Å; L66-D68 PolarHBondContact O-N 3.41Å
67V54.9Low63.7Low61 Ų61115.2 Ų115.237%0.3756%0.56SS.*  trans-59126.3165.8-176.20000106.1T65 S71 I73 Y190T65-V67 PolarHBondContact O-N 2.89Å; T65-V67 VanDerWaalsContact O-N 3.15Å; V67-S71 VanDerWaalsContact CG1-CB 3.41Å; V67-S71 WeakPolarHBondContact CG1-OG 3.47Å; V67-I73 HydrophobicContact CB-CD1 4.33Å; V67-I73 HydrophobicContact CG1-CD1 3.79Å; V67-I73 HydrophobicContact CG1-CG1 3.85Å; V67-I73 HydrophobicContact CG2-CD1 4.38Å; V67-Y190 HydrophobicContact CG1-CD2 4.32Å; V67-Y190 HydrophobicContact CG2-CE2 4.25Å
68D60.8Low65.7Low91 Ų91107.8 Ų107.849%0.48753%0.533SS..  trans-60.3139.1176.5-161.4-57.2000107.8L66 T70 S71L66-D68 PolarHBondContact O-N 3.41Å; D68-T70 VanDerWaalsContact CG-OG1 3.25Å; D68-T70 PolarHBondContact O-N 3.31Å; D68-T70 PolarHBondContact OD1-N 2.87Å; D68-T70 PolarHBondContact OD1-OG1 3.16Å; D68-S71 WeakPolarHBondContact CB-OG 3.38Å; D68-S71 PolarHBondContact N-OG 3.26Å; D68-S71 WeakPolarHBondContact O-CB 3.49Å; D68-S71 PolarHBondContact O-N 3.46Å; D68-S71 PolarHBondContact O-OG 3.43Å
69E66.6Low67.8Low200 Ų200103.8 Ų103.894%0.93552%0.52SS*.THydrogen-bonded Turntrans-59.9-18.7-177.8-63.6-175.8160.100112
70T80.5Confident70.1Confident54 Ų54104.9 Ų104.933%0.33152%0.52SS..THydrogen-bonded Turntrans-85.1-2.8173.260.30000114.9D68 I192 D193D68-T70 VanDerWaalsContact CG-OG1 3.25Å; D68-T70 PolarHBondContact O-N 3.31Å; D68-T70 PolarHBondContact OD1-N 2.87Å; D68-T70 PolarHBondContact OD1-OG1 3.16Å; T70-I192 WeakPolarHBondContact OG1-CG2 3.47Å; T70-D193 PolarHBondContact O-N 2.84Å
71S87.1Confident72.5Confident23 Ų2396 Ų9616%0.16149%0.487CS..BIsolated β-bridgetrans-83.9132.7-177.7-39.80000111.8V67 D68 I73V67-S71 VanDerWaalsContact CG1-CB 3.41Å; V67-S71 WeakPolarHBondContact CG1-OG 3.47Å; D68-S71 WeakPolarHBondContact CB-OG 3.38Å; D68-S71 PolarHBondContact N-OG 3.26Å; D68-S71 WeakPolarHBondContact O-CB 3.49Å; D68-S71 PolarHBondContact O-N 3.46Å; D68-S71 PolarHBondContact O-OG 3.43Å; S71-I73 PolarHBondContact O-N 3.46Å
72V87.8Confident74.8Confident19 Ų1988.1 Ų88.112%0.11546%0.458CS..  trans-85.8108.3173.3-174.80000110.1D74 I77 V78 F182 Y190 P191 D193V72-D74 HydrophobicContact CG1-CB 4.21Å; V72-I77 HydrophobicContact CG1-CB 3.97Å; V72-I77 HydrophobicContact CG1-CD1 4.46Å; V72-I77 HydrophobicContact CG1-CG2 3.89Å; V72-V78 HydrophobicContact CB-CG2 4.3Å; V72-V78 HydrophobicContact CG1-CG2 3.99Å; V72-V78 VanDerWaalsContact O-CG2 3.27Å; V72-V78 WeakPolarHBondContact O-CG2 3.36Å; V72-F182 HydrophobicContact CG2-CE1 3.89Å; V72-Y190 WeakPolarHBondContact O-CD1 3.36Å; V72-P191 HydrophobicContact CB-CG 4.34Å; V72-P191 PolarHBondContact N-O 3.03Å; V72-D193 HydrophobicContact CG2-CB 3.71Å
73I88.8Confident77.4Confident92 Ų9278.9 Ų78.947%0.47242%0.417SS..  trans-85.8-26.3177.6-45.8176000111.4V67 S71 E75 Y190V67-I73 HydrophobicContact CB-CD1 4.33Å; V67-I73 HydrophobicContact CG1-CD1 3.79Å; V67-I73 HydrophobicContact CG1-CG1 3.85Å; V67-I73 HydrophobicContact CG2-CD1 4.38Å; S71-I73 PolarHBondContact O-N 3.46Å; I73-E75 PolarHBondContact O-N 3.34Å; I73-E75 VanDerWaalsContact O-N 3.15Å; I73-Y190 HydrophobicContact CG2-CE1 4Å
74D89.7Confident80.1Confident83 Ų8373.9 Ų73.944%0.44439%0.387SS..  trans-59.8113.6-173.6-171.5-54.1000111.7V72 E76 I77 V78V72-D74 HydrophobicContact CG1-CB 4.21Å; D74-E76 VanDerWaalsContact C-N 3.3Å; D74-E76 PolarHBondContact O-N 2.92Å; D74-E76 WeakPolarHBondContact OD1-CB 3.42Å; D74-E76 PolarHBondContact OD1-N 2.8Å; D74-I77 HydrophobicContact CB-CB 4.2Å; D74-I77 HydrophobicContact CB-CD1 3.89Å; D74-I77 HydrophobicContact CB-CG1 4.01Å; D74-I77 PolarHBondContact O-N 3.28Å; D74-I77 PolarHBondContact OD1-N 2.86Å; D74-V78 WeakPolarHBondContact O-CB 3.21Å; D74-V78 VanDerWaalsContact O-CG2 3.25Å; D74-V78 WeakPolarHBondContact O-CG2 3.38Å; D74-V78 PolarHBondContact O-N 3.46Å
75E90.5Very high83Confident148 Ų14870.2 Ų70.269%0.69237%0.366SS*.Hα-helixtrans-63.9-31.6-175.8-67.9-170.8-167.100112.7I73 N79I73-E75 PolarHBondContact O-N 3.34Å; I73-E75 VanDerWaalsContact O-N 3.15Å; E75-N79 WeakPolarHBondContact O-CB 3.43Å; E75-N79 PolarHBondContact O-N 3.19Å; E75-N79 PolarHBondContact O-ND2 3.23Å
76E91.1Very high85.3Confident166 Ų16665.2 Ų65.278%0.77633%0.334SS*.Hα-helixtrans-69.1-43.3178.7-62.7-168.3-179.600110.5D74 N79 D80D74-E76 VanDerWaalsContact C-N 3.3Å; D74-E76 PolarHBondContact O-N 2.92Å; D74-E76 WeakPolarHBondContact OD1-CB 3.42Å; D74-E76 PolarHBondContact OD1-N 2.8Å; E76-N79 PolarHBondContact O-N 3.28Å; E76-D80 WeakPolarHBondContact O-CB 3.49Å; E76-D80 PolarHBondContact O-N 2.85Å; E76-D80 VanDerWaalsContact O-N 3.08Å
77I91.1Very high87.5Confident79 Ų7961.9 Ų61.941%0.40532%0.316SS..Hα-helixtrans-66.7-42.6177.1-55.3178.2000111V72 D74 M81V72-I77 HydrophobicContact CG1-CB 3.97Å; V72-I77 HydrophobicContact CG1-CD1 4.46Å; V72-I77 HydrophobicContact CG1-CG2 3.89Å; D74-I77 HydrophobicContact CB-CB 4.2Å; D74-I77 HydrophobicContact CB-CD1 3.89Å; D74-I77 HydrophobicContact CB-CG1 4.01Å; D74-I77 PolarHBondContact O-N 3.28Å; D74-I77 PolarHBondContact OD1-N 2.86Å; I77-M81 HydrophobicContact CG2-CE 4.01Å; I77-M81 PolarHBondContact O-N 2.94Å
78V92.8Very high89.1Confident7 Ų761.2 Ų61.24%0.04231%0.31CS..Hα-helixtrans-69.8-33178.9173.50000112.3V72 D74 M81 F83 P125 K128 P191V72-V78 HydrophobicContact CB-CG2 4.3Å; V72-V78 HydrophobicContact CG1-CG2 3.99Å; V72-V78 VanDerWaalsContact O-CG2 3.27Å; V72-V78 WeakPolarHBondContact O-CG2 3.36Å; D74-V78 WeakPolarHBondContact O-CB 3.21Å; D74-V78 VanDerWaalsContact O-CG2 3.25Å; D74-V78 WeakPolarHBondContact O-CG2 3.38Å; D74-V78 PolarHBondContact O-N 3.46Å; V78-M81 WeakPolarHBondContact O-CG 3.28Å; V78-F83 HydrophobicContact CG1-CD1 4.09Å; V78-P125 HydrophobicContact CG1-CG 3.48Å; V78-P125 VanDerWaalsContact CG1-CG 3.48Å; V78-K128 PolarHBondContact O-NZ 2.99Å; V78-P191 HydrophobicContact CG2-CG 3.9Å
79N93.1Very high90.5Very high30 Ų3061.2 Ų61.216%0.1632%0.315CS..Hα-helixtrans-81.9-27-178.7-68-24.8000113.1E75 E76 G122 F123 S124 K128E75-N79 WeakPolarHBondContact O-CB 3.43Å; E75-N79 PolarHBondContact O-N 3.19Å; E75-N79 PolarHBondContact O-ND2 3.23Å; E76-N79 PolarHBondContact O-N 3.28Å; N79-G122 PolarHBondContact O-N 2.85Å; N79-F123 PolarHBondContact OD1-O 3.4Å; N79-S124 WeakPolarHBondContact OD1-CA 3.37Å; N79-K128 PolarHBondContact O-NZ 2.97Å
80D92.4Very high91.6Very high95 Ų9555 Ų5551%0.50829%0.288SS..Hα-helixtrans-69.5-40.3172.3-173.253.4000112.5E76 K178E76-D80 WeakPolarHBondContact O-CB 3.49Å; E76-D80 PolarHBondContact O-N 2.85Å; E76-D80 VanDerWaalsContact O-N 3.08Å; D80-K178 WeakPolarHBondContact OD2-CE 3.23Å; D80-K178 IonicContact OD2-NZ 3.29Å; D80-K178 PolarHBondContact OD2-NZ 3.18Å
81M94.4Very high92.3Very high10 Ų1052.4 Ų52.45%0.04927%0.272CS..THydrogen-bonded Turntrans-76.5155.6173.171.6174.678.700112.9I77 V78 F83 K128 I177 F182 L184 P191I77-M81 HydrophobicContact CG2-CE 4.01Å; I77-M81 PolarHBondContact O-N 2.94Å; V78-M81 WeakPolarHBondContact O-CG 3.28Å; M81-F83 HydrophobicContact CG-CB 4.07Å; M81-F83 PolarHBondContact O-N 3.41Å; M81-F83 VanDerWaalsContact O-N 3.12Å; M81-F83 HydrophobicContact SD-CB 4.08Å; M81-K128 PolarHBondContact O-NZ 3.33Å; M81-I177 HydrophobicContact CB-CD1 4.12Å; M81-F182 HydrophobicContact CE-CD1 4.05Å; M81-F182 HydrophobicContact CE-CE1 3.66Å; M81-F182 HydrophobicContact CE-CZ 4.07Å; M81-L184 HydrophobicContact SD-CD2 4.18Å; M81-P191 HydrophobicContact CE-CG 4.14Å; M81-P191 HydrophobicContact SD-CB 4Å; M81-P191 HydrophobicContact SD-CG 3.73Å
82F96.9Very high92.6Very high9 Ų952.2 Ų52.24%0.03927%0.271CS..THydrogen-bonded Turntrans-83.382.3167.9-163.2-83.7000110.4A84 L102 N103 T120 K128 I132F82-A84 HydrophobicContact CE1-CB 4.02Å; F82-A84 HydrophobicContact CZ-CB 4.41Å; F82-L102 HydrophobicContact CB-CB 3.82Å; F82-L102 HydrophobicContact CD1-CB 3.77Å; F82-L102 HydrophobicContact CD1-CD1 3.88Å; F82-L102 HydrophobicContact CD1-CG 4.39Å; F82-L102 HydrophobicContact CD2-CB 3.91Å; F82-L102 HydrophobicContact CD2-CD1 3.77Å; F82-L102 HydrophobicContact CD2-CG 4.49Å; F82-L102 HydrophobicContact CE1-CB 4.39Å; F82-L102 HydrophobicContact CE1-CD1 3.62Å; F82-L102 HydrophobicContact CE2-CB 4.49Å; F82-L102 HydrophobicContact CE2-CD1 3.47Å; F82-L102 VanDerWaalsContact CE2-CD1 3.47Å; F82-L102 HydrophobicContact CG-CB 3.52Å; F82-L102 HydrophobicContact CG-CD1 3.98Å; F82-L102 HydrophobicContact CG-CG 4.39Å; F82-L102 HydrophobicContact CZ-CD1 3.41Å; F82-L102 VanDerWaalsContact CZ-CD1 3.41Å; F82-N103 PolarHBondContact N-OD1 3.46Å; F82-N103 PolarHBondContact O-ND2 3.04Å; F82-T120 WeakPolarHBondContact CE2-OG1 3.21Å; F82-K128 HydrophobicContact CE2-CG 4.42Å; F82-I132 HydrophobicContact CE1-CD1 4.08Å; F82-I132 HydrophobicContact CZ-CD1 3.98Å; F82-I132 HydrophobicContact CZ-CG1 4.35Å
83F97.6Very high93Very high1 Ų151.4 Ų51.40%0.00427%0.266CS..  trans-110.8130.7165.6175.4-120.9000109.4V78 M81 H85 P125 K128 L184 D185 P191V78-F83 HydrophobicContact CG1-CD1 4.09Å; M81-F83 HydrophobicContact CG-CB 4.07Å; M81-F83 PolarHBondContact O-N 3.41Å; M81-F83 VanDerWaalsContact O-N 3.12Å; M81-F83 HydrophobicContact SD-CB 4.08Å; F83-H85 AromaticContact CE1-CD2 3.87Å; F83-H85 AromaticContact CE1-NE2 3.74Å; F83-H85 AromaticContact CZ-CD2 3.9Å; F83-P125 HydrophobicContact CD1-CB 3.69Å; F83-P125 HydrophobicContact CD1-CG 3.54Å; F83-P125 HydrophobicContact CE1-CB 3.92Å; F83-P125 HydrophobicContact CE1-CG 4.01Å; F83-P125 WeakPolarHBondContact O-CA 3.38Å; F83-K128 WeakPolarHBondContact O-CD 3.25Å; F83-L184 HydrophobicContact CB-CD2 4.28Å; F83-L184 HydrophobicContact CD2-CB 4.17Å; F83-L184 HydrophobicContact CD2-CD2 3.91Å; F83-L184 HydrophobicContact CG-CD2 4.37Å; F83-D185 WeakPolarHBondContact CE2-O 3.38Å; F83-P191 HydrophobicContact CD1-CB 4.27Å; F83-P191 HydrophobicContact CD1-CG 4.11Å; F83-P191 HydrophobicContact CD2-CB 4.22Å; F83-P191 HydrophobicContact CG-CB 4.1Å; F83-P191 HydrophobicContact CG-CG 4.29Å
84A97.7Very high93.4Very high1 Ų147 Ų471%0.00824%0.243CC..  trans-134.1135.1-174.600000111.3F82 P125 K128 I132F82-A84 HydrophobicContact CE1-CB 4.02Å; F82-A84 HydrophobicContact CZ-CB 4.41Å; A84-P125 WeakPolarHBondContact CA-O 3.36Å; A84-K128 HydrophobicContact CB-CB 3.73Å; A84-I132 HydrophobicContact CB-CD1 3.77Å
85H96.7Very high93.7Very high43 Ų4343.3 Ų43.320%0.19922%0.223CC..  trans-76.9137.1173.2-65.3154.7000110.6F83 L87 P125 E126 G129 K188 A189F83-H85 AromaticContact CE1-CD2 3.87Å; F83-H85 AromaticContact CE1-NE2 3.74Å; F83-H85 AromaticContact CZ-CD2 3.9Å; H85-L87 HydrophobicContact CB-CD2 4.03Å; H85-L87 PolarHBondContact O-N 2.98Å; H85-P125 PolarHBondContact N-O 3.49Å; H85-E126 PolarHBondContact ND1-N 3.41Å; H85-G129 WeakPolarHBondContact O-CA 3.43Å; H85-K188 PolarHBondContact CD2-O 2.89Å; H85-K188 VanDerWaalsContact CD2-O 3.29Å; H85-K188 PolarHBondContact NE2-O 2.94Å; H85-A189 PolarHBondContact NE2-O 3.12Å
86Q94.9Very high94.1Very high27 Ų2736.4 Ų36.413%0.12619%0.192CC..  trans-81.487.6178.8-172.2-165.7-29.200110.2I88 C92 G186 L187Q86-I88 VanDerWaalsContact C-N 3.35Å; Q86-I88 WeakPolarHBondContact CG-O 3.28Å; Q86-I88 PolarHBondContact NE2-O 3.47Å; Q86-I88 VanDerWaalsContact NE2-O 3.11Å; Q86-C92 VanDerWaalsContact OE1-CB 3.25Å; Q86-G186 PolarHBondContact N-O 3.23Å; Q86-L187 HydrophobicContact CB-CD2 4.22Å
87L91.6Very high94.4Very high61 Ų6128.5 Ų28.532%0.31916%0.155SC..  trans-80-16.5-179.9-54.5-175.2000113.7H85 E126 Y130H85-L87 HydrophobicContact CB-CD2 4.03Å; H85-L87 PolarHBondContact O-N 2.98Å; L87-E126 HydrophobicContact CD1-CG 4.08Å; L87-E126 WeakPolarHBondContact CD1-O 3.43Å; L87-E126 HydrophobicContact CD2-CG 4.46Å; L87-Y130 HydrophobicContact CD1-CD1 3.75Å; L87-Y130 HydrophobicContact CD1-CD2 3.39Å; L87-Y130 HydrophobicContact CD1-CE1 3.8Å; L87-Y130 HydrophobicContact CD1-CE2 3.46Å; L87-Y130 VanDerWaalsContact CD1-CE2 3.46Å; L87-Y130 HydrophobicContact CD1-CG 3.54Å
88I89.7Confident94.7Very high46 Ų4624.8 Ų24.824%0.23614%0.136CC..SBendtrans-109.8128.6-174.7-49.6-59.7000109.9W6 Q86 S91W6-I88 HydrophobicContact CB-CG2 4.14Å; W6-I88 VanDerWaalsContact CD1-CG2 3.5Å; W6-I88 HydrophobicContact CD2-CG2 4.42Å; W6-I88 HydrophobicContact CG-CG2 3.77Å; Q86-I88 VanDerWaalsContact C-N 3.35Å; Q86-I88 WeakPolarHBondContact CG-O 3.28Å; Q86-I88 PolarHBondContact NE2-O 3.47Å; Q86-I88 VanDerWaalsContact NE2-O 3.11Å; I88-S91 PolarHBondContact O-OG 3.19Å
89P89.7Confident94.9Very high91 Ų9124.8 Ų24.859%0.59114%0.136SC*.THydrogen-bonded Turntrans-59.2155.2174.926.4-35.2000111.4S91P89-S91 PolarHBondContact O-N 2.66Å
90N90.4Very high95.2Very high69 Ų6923.3 Ų23.337%0.36913%0.128SC..THydrogen-bonded Turntrans61.3-18.8-179.9-48-21000116.8W6 L7 C92W6-N90 WeakPolarHBondContact O-CB 3.39Å; W6-N90 PolarHBondContact O-ND2 3.34Å; L7-N90 VanDerWaalsContact O-CB 3.24Å; L7-N90 WeakPolarHBondContact O-CB 3.49Å; N90-C92 PolarHBondContact O-N 3.43Å; N90-C92 PolarHBondContact O-SG 2.88Å
91S94.5Very high95.4Very high0 Ų018.8 Ų18.80%010%0.104CC..THydrogen-bonded Turntrans-699-179.972.90000115.8I88 P89 A93 T94 H95I88-S91 PolarHBondContact O-OG 3.19Å; P89-S91 PolarHBondContact O-N 2.66Å; S91-A93 PolarHBondContact O-N 2.78Å; S91-T94 PolarHBondContact O-N 3.21Å; S91-H95 PolarHBondContact O-N 3.43Å; S91-H95 PolarHBondContact O-ND1 3.05Å; S91-H95 PolarHBondContact OG-CE1 3.43Å; S91-H95 PolarHBondContact OG-ND1 2.91Å
92C94.1Very high95.5Very high20 Ų2018.5 Ų18.514%0.13510%0.103CC..Hα-helixtrans-59.7-45.1-174.647.70000113Q86 N90 T94 H95 A96 F171Q86-C92 VanDerWaalsContact OE1-CB 3.25Å; N90-C92 PolarHBondContact O-N 3.43Å; N90-C92 PolarHBondContact O-SG 2.88Å; C92-T94 VanDerWaalsContact C-N 3.34Å; C92-T94 PolarHBondContact O-N 3.28Å; C92-H95 PolarHBondContact O-N 3.08Å; C92-A96 WeakPolarHBondContact O-CB 3.45Å; C92-A96 PolarHBondContact O-N 2.99Å; C92-F171 HydrophobicContact CB-CD2 4.11Å
93A95.4Very high95.5Very high1 Ų119.5 Ų19.51%0.00811%0.108CC..Hα-helixtrans-54.9-47.9176.700000112L9 F16 S91 L97 F171L9-A93 HydrophobicContact CB-CB 4.27Å; L9-A93 HydrophobicContact CD1-CB 4.13Å; F16-A93 HydrophobicContact CE1-CB 4.19Å; F16-A93 HydrophobicContact CE2-CB 4.18Å; F16-A93 HydrophobicContact CZ-CB 3.52Å; S91-A93 PolarHBondContact O-N 2.78Å; A93-L97 WeakPolarHBondContact O-CB 3.13Å; A93-L97 PolarHBondContact O-N 2.84Å; A93-F171 HydrophobicContact CB-CD2 4.14Å; A93-F171 HydrophobicContact CB-CE2 3.86Å; A93-F171 HydrophobicContact CB-CZ 4.36Å
94T97.2Very high95Very high0 Ų020.3 Ų20.30%011%0.114CC..Hα-helixtrans-69.7-40.1177.4-65.10000112.4W6 F23 S91 C92 A96 L97 L98 H142W6-T94 HydrophobicContact CH2-CG2 4.09Å; W6-T94 HydrophobicContact CZ3-CG2 3.81Å; F23-T94 HydrophobicContact CE2-CG2 4.08Å; F23-T94 HydrophobicContact CZ-CG2 3.58Å; S91-T94 PolarHBondContact O-N 3.21Å; C92-T94 VanDerWaalsContact C-N 3.34Å; C92-T94 PolarHBondContact O-N 3.28Å; T94-A96 VanDerWaalsContact C-N 3.33Å; T94-A96 PolarHBondContact O-N 2.65Å; T94-L97 PolarHBondContact O-N 3.22Å; T94-L98 HydrophobicContact CG2-CD1 3.59Å; T94-L98 HydrophobicContact CG2-CG 4.02Å; T94-L98 WeakPolarHBondContact O-CB 3.35Å; T94-L98 WeakPolarHBondContact O-CG 3.25Å; T94-L98 PolarHBondContact O-N 3.46Å; T94-H142 PolarHBondContact OG1-ND1 3.03Å
95H96.9Very high94.3Very high5 Ų525.3 Ų25.32%0.02315%0.149CC..Hα-helixtrans-61-42.3175.7-81.375.1000111.7S91 C92 S99S91-H95 PolarHBondContact O-N 3.43Å; S91-H95 PolarHBondContact O-ND1 3.05Å; S91-H95 PolarHBondContact OG-CE1 3.43Å; S91-H95 PolarHBondContact OG-ND1 2.91Å; C92-H95 PolarHBondContact O-N 3.08Å; H95-S99 VanDerWaalsContact O-CB 3.27Å; H95-S99 WeakPolarHBondContact O-CB 3.39Å; H95-S99 PolarHBondContact O-N 3.22Å; H95-S99 PolarHBondContact O-OG 3.33Å
96A97.7Very high93.6Very high4 Ų426.6 Ų26.63%0.03317%0.174CC..Hα-helixtrans-64-48.617600000111.7I48 C92 T94 L98 S99 V100 F171 S173I48-A96 HydrophobicContact CG2-CB 4.12Å; C92-A96 WeakPolarHBondContact O-CB 3.45Å; C92-A96 PolarHBondContact O-N 2.99Å; T94-A96 VanDerWaalsContact C-N 3.33Å; T94-A96 PolarHBondContact O-N 2.65Å; A96-L98 PolarHBondContact O-N 3.13Å; A96-S99 WeakPolarHBondContact O-CB 3.25Å; A96-S99 PolarHBondContact O-N 2.83Å; A96-S99 VanDerWaalsContact O-N 3.16Å; A96-V100 PolarHBondContact O-N 3.14Å; A96-V100 VanDerWaalsContact O-N 3.16Å; A96-F171 HydrophobicContact CB-CB 3.66Å; A96-S173 WeakPolarHBondContact CA-OG 3.18Å; A96-S173 WeakPolarHBondContact CB-OG 3.43Å; A96-S173 PolarHBondContact O-OG 3.36Å
97L97.8Very high93.4Very high0 Ų026.6 Ų26.60%018%0.176CC..Hα-helixtrans-60.5-45.6179-178.959.3000112.6F16 L19 V20 F23 V30 I48 A93 T94 S99 V100 L101 V234F16-L97 HydrophobicContact CD1-CD2 4.37Å; L19-L97 HydrophobicContact CD2-CD2 3.92Å; L19-L97 HydrophobicContact CG-CD2 4.13Å; V20-L97 HydrophobicContact CG2-CD1 3.78Å; V20-L97 HydrophobicContact CG2-CD2 3.79Å; V20-L97 HydrophobicContact CG2-CG 4.22Å; F23-L97 HydrophobicContact CE2-CD2 4Å; V30-L97 HydrophobicContact CG2-CD1 4.42Å; I48-L97 HydrophobicContact CD1-CB 4.15Å; I48-L97 HydrophobicContact CD1-CD1 3.95Å; A93-L97 WeakPolarHBondContact O-CB 3.13Å; A93-L97 PolarHBondContact O-N 2.84Å; T94-L97 PolarHBondContact O-N 3.22Å; L97-S99 VanDerWaalsContact C-N 3.33Å; L97-S99 PolarHBondContact O-N 3.39Å; L97-V100 PolarHBondContact O-N 2.9Å; L97-L101 HydrophobicContact CD1-CD1 4.02Å; L97-L101 HydrophobicContact CD1-CG 4.31Å; L97-L101 HydrophobicContact CG-CD1 3.87Å; L97-L101 WeakPolarHBondContact O-CG 3.26Å; L97-L101 PolarHBondContact O-N 3.4Å; L97-V234 HydrophobicContact CD1-CG2 4.36Å
98L97.9Very high93.5Very high1 Ų129.7 Ų29.71%0.00519%0.189CC..Hα-helixtrans-65.3-35.7174.8-67.6174.6000112.1F23 T94 A96 V100 L101 L102 L113 I132 L138F23-L98 HydrophobicContact CD2-CD2 4.21Å; F23-L98 HydrophobicContact CE2-CD2 4.08Å; F23-L98 HydrophobicContact CE2-CG 4.4Å; T94-L98 HydrophobicContact CG2-CD1 3.59Å; T94-L98 HydrophobicContact CG2-CG 4.02Å; T94-L98 WeakPolarHBondContact O-CB 3.35Å; T94-L98 WeakPolarHBondContact O-CG 3.25Å; T94-L98 PolarHBondContact O-N 3.46Å; A96-L98 PolarHBondContact O-N 3.13Å; L98-V100 PolarHBondContact O-N 2.96Å; L98-L101 PolarHBondContact O-N 2.78Å; L98-L102 HydrophobicContact CB-CD1 4.21Å; L98-L102 HydrophobicContact CB-CG 4.5Å; L98-L102 HydrophobicContact CD2-CD1 4.32Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.45Å; L98-L102 WeakPolarHBondContact O-CG 3.21Å; L98-L102 PolarHBondContact O-N 2.91Å; L98-L113 HydrophobicContact CD2-CD1 3.75Å; L98-L113 HydrophobicContact CD2-CD2 3.56Å; L98-L113 HydrophobicContact CD2-CG 4.31Å; L98-I132 HydrophobicContact CD1-CD1 4.17Å; L98-I132 HydrophobicContact CD1-CG1 4.13Å; L98-I132 HydrophobicContact CD1-CG2 4.03Å; L98-L138 HydrophobicContact CD1-CD1 3.78Å
99S97.2Very high93.8Very high6 Ų628.3 Ų28.34%0.04218%0.182CC..Hα-helixtrans-65-22.5175.4-60.20000112.9H95 A96 L97 N103H95-S99 VanDerWaalsContact O-CB 3.27Å; H95-S99 WeakPolarHBondContact O-CB 3.39Å; H95-S99 PolarHBondContact O-N 3.22Å; H95-S99 PolarHBondContact O-OG 3.33Å; A96-S99 WeakPolarHBondContact O-CB 3.25Å; A96-S99 PolarHBondContact O-N 2.83Å; A96-S99 VanDerWaalsContact O-N 3.16Å; L97-S99 VanDerWaalsContact C-N 3.33Å; L97-S99 PolarHBondContact O-N 3.39Å; S99-N103 PolarHBondContact O-ND2 2.88Å
100V97.8Very high94Very high0 Ų025.2 Ų25.20%017%0.166CC..Hα-helixtrans-80.4-60.9167.21790000110.7I48 A96 L97 L98 L102 N103 C104 V175 V234I48-V100 HydrophobicContact CG1-CG2 4.05Å; A96-V100 PolarHBondContact O-N 3.14Å; A96-V100 VanDerWaalsContact O-N 3.16Å; L97-V100 PolarHBondContact O-N 2.9Å; L98-V100 PolarHBondContact O-N 2.96Å; V100-L102 VanDerWaalsContact C-N 3.28Å; V100-L102 PolarHBondContact O-N 3.32Å; V100-N103 PolarHBondContact O-N 3.42Å; V100-N103 VanDerWaalsContact O-N 3.12Å; V100-C104 PolarHBondContact O-N 3.27Å; V100-C104 VanDerWaalsContact O-N 3.1Å; V100-V175 HydrophobicContact CB-CG1 4.27Å; V100-V175 HydrophobicContact CG1-CG1 4.4Å; V100-V175 HydrophobicContact CG2-CG1 3.96Å; V100-V234 HydrophobicContact CB-CG2 4.23Å; V100-V234 HydrophobicContact CG1-CB 3.88Å; V100-V234 HydrophobicContact CG1-CG1 4.18Å; V100-V234 HydrophobicContact CG1-CG2 3.89Å; V100-V234 HydrophobicContact CG2-CG2 4.28Å
101L97.4Very high94.3Very high0 Ų027.7 Ų27.70%018%0.184CC..Hα-helixtrans-57.4-38.8-172.2-66.2169.3000113.1V20 V25 V28 L97 L98 C104 V107 L109 L113 V234V20-L101 HydrophobicContact CG2-CD1 4.4Å; V25-L101 HydrophobicContact CG1-CD2 4.32Å; V25-L101 HydrophobicContact CG2-CD1 4.34Å; V28-L101 HydrophobicContact CG1-CD2 4.23Å; L97-L101 HydrophobicContact CD1-CD1 4.02Å; L97-L101 HydrophobicContact CD1-CG 4.31Å; L97-L101 HydrophobicContact CG-CD1 3.87Å; L97-L101 WeakPolarHBondContact O-CG 3.26Å; L97-L101 PolarHBondContact O-N 3.4Å; L98-L101 PolarHBondContact O-N 2.78Å; L101-C104 PolarHBondContact O-SG 3.1Å; L101-V107 HydrophobicContact CD2-CG1 4.45Å; L101-L109 HydrophobicContact CB-CD2 4.11Å; L101-L109 WeakPolarHBondContact O-CD2 3.16Å; L101-L113 HydrophobicContact CB-CD1 4.47Å; L101-L113 HydrophobicContact CD1-CD1 3.95Å; L101-V234 HydrophobicContact CD2-CG1 4.32Å
102L96.9Very high94.3Very high3 Ų328.8 Ų28.82%0.01619%0.191CC..THydrogen-bonded Turntrans-83.5-11.4-175.2-59.2-175.9000113.4F82 L98 V100 L109 L113 I116 K117F82-L102 HydrophobicContact CB-CB 3.82Å; F82-L102 HydrophobicContact CD1-CB 3.77Å; F82-L102 HydrophobicContact CD1-CD1 3.88Å; F82-L102 HydrophobicContact CD1-CG 4.39Å; F82-L102 HydrophobicContact CD2-CB 3.91Å; F82-L102 HydrophobicContact CD2-CD1 3.77Å; F82-L102 HydrophobicContact CD2-CG 4.49Å; F82-L102 HydrophobicContact CE1-CB 4.39Å; F82-L102 HydrophobicContact CE1-CD1 3.62Å; F82-L102 HydrophobicContact CE2-CB 4.49Å; F82-L102 HydrophobicContact CE2-CD1 3.47Å; F82-L102 VanDerWaalsContact CE2-CD1 3.47Å; F82-L102 HydrophobicContact CG-CB 3.52Å; F82-L102 HydrophobicContact CG-CD1 3.98Å; F82-L102 HydrophobicContact CG-CG 4.39Å; F82-L102 HydrophobicContact CZ-CD1 3.41Å; F82-L102 VanDerWaalsContact CZ-CD1 3.41Å; L98-L102 HydrophobicContact CB-CD1 4.21Å; L98-L102 HydrophobicContact CB-CG 4.5Å; L98-L102 HydrophobicContact CD2-CD1 4.32Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.45Å; L98-L102 WeakPolarHBondContact O-CG 3.21Å; L98-L102 PolarHBondContact O-N 2.91Å; V100-L102 VanDerWaalsContact C-N 3.28Å; V100-L102 PolarHBondContact O-N 3.32Å; L102-L109 HydrophobicContact CD2-CD1 4.07Å; L102-L109 HydrophobicContact CD2-CD2 4.32Å; L102-L113 HydrophobicContact CD2-CB 3.94Å; L102-L113 HydrophobicContact CD2-CD1 4.41Å; L102-I116 HydrophobicContact CD1-CG2 4.43Å; L102-K117 HydrophobicContact CB-CD 4.49Å; L102-K117 HydrophobicContact CD2-CB 4.1Å; L102-K117 HydrophobicContact CD2-CD 4.21Å; L102-K117 WeakPolarHBondContact O-CE 3.41Å; L102-K117 PolarHBondContact O-NZ 3.38Å
103N95.9Very high94.4Very high30 Ų3027.8 Ų27.816%0.1618%0.184CC..THydrogen-bonded Turntrans-97.3-27.5171.5-73.2-58.8000113.6F82 S99 V100 I177 L184F82-N103 PolarHBondContact N-OD1 3.46Å; F82-N103 PolarHBondContact O-ND2 3.04Å; S99-N103 PolarHBondContact O-ND2 2.88Å; V100-N103 PolarHBondContact O-N 3.42Å; V100-N103 VanDerWaalsContact O-N 3.12Å; N103-I177 HydrophobicContact CB-CD1 4.03Å; N103-I177 HydrophobicContact CB-CG1 4.28Å; N103-L184 VanDerWaalsContact ND2-CD1 3.31Å; N103-L184 WeakPolarHBondContact ND2-CD1 3.42Å
104C88Confident94.4Very high19 Ų1930.4 Ų30.413%0.12820%0.202CC..  trans-71.6161.6-179.170.90000113.9Y45 V100 L101 V107Y45-C104 HydrophobicContact CD1-CB 4.03Å; Y45-C104 HydrophobicContact CG-CB 4.44Å; V100-C104 PolarHBondContact O-N 3.27Å; V100-C104 VanDerWaalsContact O-N 3.1Å; L101-C104 PolarHBondContact O-SG 3.1Å; C104-V107 VanDerWaalsContact SG-CG2 3.52Å
105S82.4Confident94.4Very high105 Ų10536.6 Ų36.673%0.73423%0.226SC*.SBendtrans-112.4156.8170.4540000110.3
106G82.9Confident94.3Very high71 Ų7137 Ų3773%0.73223%0.228SC*.SBendtrans74.830.9179.300000114.5Y45Y45-G106 PolarHBondContact OH-O 3.22Å
107V90.6Very high94.2Very high26 Ų2640.4 Ų40.416%0.15824%0.242CC..  trans-124.3133.6171.91710000109.9V25 V28 Y45 L101 C104 L109V25-V107 HydrophobicContact CG1-CG1 3.6Å; V28-V107 HydrophobicContact CG2-CB 4.36Å; V28-V107 HydrophobicContact CG2-CG1 3.64Å; V28-V107 HydrophobicContact CG2-CG2 3.81Å; Y45-V107 HydrophobicContact CD1-CG2 3.77Å; Y45-V107 HydrophobicContact CD2-CG2 4.12Å; Y45-V107 HydrophobicContact CE1-CG2 3.38Å; Y45-V107 HydrophobicContact CE2-CG2 3.78Å; Y45-V107 HydrophobicContact CG-CG2 4.1Å; L101-V107 HydrophobicContact CD2-CG1 4.45Å; C104-V107 VanDerWaalsContact SG-CG2 3.52Å; V107-L109 HydrophobicContact CB-CD2 4.43Å; V107-L109 HydrophobicContact CG1-CD2 3.87Å; V107-L109 HydrophobicContact CG1-CG 4.44Å; V107-L109 PolarHBondContact O-N 3.32Å; V107-L109 VanDerWaalsContact O-N 3.1Å
108E94Very high94.2Very high127 Ų12743.9 Ų43.959%0.59327%0.271SS*.BIsolated β-bridgetrans-77.588.8169.7-77.6-170.3-153.100110.2V25 K26 G110V25-E108 WeakPolarHBondContact CA-O 3.26Å; K26-E108 HydrophobicContact CB-CB 4.06Å; K26-E108 WeakPolarHBondContact CD-OE2 3.47Å; K26-E108 PolarHBondContact N-O 3Å; K26-E108 IonicContact NZ-OE2 3.25Å; E108-G110 PolarHBondContact O-N 3.37Å
109L94.8Very high94.1Very high17 Ų1750.2 Ų50.29%0.08930%0.298CS..  trans-64.7-5.3-176.1-67.8178.9000115.8L101 L102 V107 L113 K117L101-L109 HydrophobicContact CB-CD2 4.11Å; L101-L109 WeakPolarHBondContact O-CD2 3.16Å; L102-L109 HydrophobicContact CD2-CD1 4.07Å; L102-L109 HydrophobicContact CD2-CD2 4.32Å; V107-L109 HydrophobicContact CB-CD2 4.43Å; V107-L109 HydrophobicContact CG1-CD2 3.87Å; V107-L109 HydrophobicContact CG1-CG 4.44Å; V107-L109 PolarHBondContact O-N 3.32Å; V107-L109 VanDerWaalsContact O-N 3.1Å; L109-L113 HydrophobicContact CB-CB 4.14Å; L109-L113 WeakPolarHBondContact O-CB 3.37Å; L109-K117 HydrophobicContact CD1-CD 3.73Å
110G94.7Very high94.1Very high26 Ų2650 Ų5027%0.26830%0.297SS..Hα-helixtrans64.6-176.5-173.200000113.4G24 E108 S114G24-G110 VanDerWaalsContact O-CA 3.26Å; G24-G110 WeakPolarHBondContact O-CA 3.3Å; E108-G110 PolarHBondContact O-N 3.37Å; G110-S114 WeakPolarHBondContact O-CB 3.24Å; G110-S114 PolarHBondContact O-N 3.48Å; G110-S114 PolarHBondContact O-OG 2.96Å
111T95.3Very high94Very high121 Ų12157.8 Ų57.874%0.74233%0.33SS*.Hα-helixtrans-72.1-46.3-175.649.10000112.5R115T111-R115 VanDerWaalsContact O-CB 3.25Å; T111-R115 WeakPolarHBondContact O-CB 3.48Å; T111-R115 PolarHBondContact O-N 3.01Å
112T94.6Very high93.9Very high22 Ų2260 Ų6014%0.13535%0.353CS..Hα-helixtrans-61.1-54-175.5-530000112R115 I116 E137 L138T112-R115 PolarHBondContact O-N 3.28Å; T112-I116 HydrophobicContact CG2-CD1 4.31Å; T112-I116 WeakPolarHBondContact O-CG1 3.28Å; T112-I116 PolarHBondContact O-N 3.36Å; T112-I116 VanDerWaalsContact O-N 3.1Å; T112-E137 HydrophobicContact CG2-CB 4Å; T112-L138 HydrophobicContact CG2-CD2 4.3Å
113L96.6Very high93.9Very high0 Ų063.1 Ų63.10%037%0.367CS..Hα-helixtrans-73.7-34-176.7-58.1-162.3000112.5F23 V25 L98 L101 L102 L109 R115 I116 K117 L138F23-L113 HydrophobicContact CB-CD1 4.24Å; F23-L113 HydrophobicContact CB-CD2 4.3Å; F23-L113 HydrophobicContact CB-CG 4.23Å; F23-L113 HydrophobicContact CD2-CD1 4.32Å; F23-L113 HydrophobicContact CD2-CD2 4.49Å; F23-L113 HydrophobicContact CG-CD2 4.44Å; V25-L113 HydrophobicContact CG2-CD1 3.43Å; V25-L113 VanDerWaalsContact CG2-CD1 3.43Å; V25-L113 HydrophobicContact CG2-CG 4.13Å; L98-L113 HydrophobicContact CD2-CD1 3.75Å; L98-L113 HydrophobicContact CD2-CD2 3.56Å; L98-L113 HydrophobicContact CD2-CG 4.31Å; L101-L113 HydrophobicContact CB-CD1 4.47Å; L101-L113 HydrophobicContact CD1-CD1 3.95Å; L102-L113 HydrophobicContact CD2-CB 3.94Å; L102-L113 HydrophobicContact CD2-CD1 4.41Å; L109-L113 HydrophobicContact CB-CB 4.14Å; L109-L113 WeakPolarHBondContact O-CB 3.37Å; L113-R115 VanDerWaalsContact C-N 3.34Å; L113-R115 PolarHBondContact O-N 3.1Å; L113-I116 HydrophobicContact CD2-CD1 4.47Å; L113-I116 PolarHBondContact O-N 3.04Å; L113-K117 WeakPolarHBondContact O-CB 3.4Å; L113-K117 PolarHBondContact O-N 3.25Å; L113-L138 HydrophobicContact CD2-CD2 3.69Å
114S96.4Very high93.9Very high56 Ų5663.7 Ų63.739%0.39237%0.373SS..Hα-helixtrans-61.7-42.5172.6-60.10000111.8G110 K117 A118G110-S114 WeakPolarHBondContact O-CB 3.24Å; G110-S114 PolarHBondContact O-N 3.48Å; G110-S114 PolarHBondContact O-OG 2.96Å; S114-K117 PolarHBondContact O-N 3.45Å; S114-A118 WeakPolarHBondContact O-CB 3.43Å; S114-A118 PolarHBondContact O-N 2.83Å
115R96Very high94.3Very high130 Ų13063.4 Ų63.449%0.49137%0.371SS..Hα-helixtrans-61.7-42.4175.5-174.5-17468-165.80.4111.5T111 T112 L113 F119 E137T111-R115 VanDerWaalsContact O-CB 3.25Å; T111-R115 WeakPolarHBondContact O-CB 3.48Å; T111-R115 PolarHBondContact O-N 3.01Å; T112-R115 PolarHBondContact O-N 3.28Å; L113-R115 VanDerWaalsContact C-N 3.34Å; L113-R115 PolarHBondContact O-N 3.1Å; R115-F119 WeakPolarHBondContact O-CB 3.36Å; R115-F119 PolarHBondContact O-N 3.47Å; R115-E137 IonicContact CZ-OE1 3.85Å; R115-E137 IonicContact NH1-OE1 2.78Å; R115-E137 PolarHBondContact NH1-OE1 3.45Å; R115-E137 VanDerWaalsContact NH1-OE1 3.13Å; R115-E137 VanDerWaalsContact NH2-CD 3.26Å; R115-E137 IonicContact NH2-OE1 3.14Å; R115-E137 PolarHBondContact NH2-OE1 2.71Å; R115-E137 IonicContact NH2-OE2 2.8Å; R115-E137 PolarHBondContact NH2-OE2 3.01Å
116I96.2Very high95Very high12 Ų1263.1 Ų63.16%0.06236%0.358CS..Hα-helixtrans-65.5-50.4176.3-67.9170.9000110.8L102 T112 L113 A118 F119 T120 A135 L138L102-I116 HydrophobicContact CD1-CG2 4.43Å; T112-I116 HydrophobicContact CG2-CD1 4.31Å; T112-I116 WeakPolarHBondContact O-CG1 3.28Å; T112-I116 PolarHBondContact O-N 3.36Å; T112-I116 VanDerWaalsContact O-N 3.1Å; L113-I116 HydrophobicContact CD2-CD1 4.47Å; L113-I116 PolarHBondContact O-N 3.04Å; I116-A118 VanDerWaalsContact C-N 3.27Å; I116-A118 PolarHBondContact O-N 3.46Å; I116-F119 PolarHBondContact O-N 2.95Å; I116-F119 VanDerWaalsContact O-N 3.12Å; I116-T120 HydrophobicContact CG2-CG2 4.35Å; I116-T120 PolarHBondContact O-N 3.12Å; I116-T120 PolarHBondContact O-OG1 3.27Å; I116-A135 HydrophobicContact CD1-CB 4.13Å; I116-L138 HydrophobicContact CD1-CD1 3.63Å; I116-L138 HydrophobicContact CD1-CD2 4.43Å; I116-L138 HydrophobicContact CD1-CG 4.07Å
117K95.8Very high95.7Very high77 Ų7762 Ų6234%0.33534%0.339SS..Hα-helixtrans-57.5-37.6179-172.4166.2173.7162.70112.7L102 L109 L113 S114L102-K117 HydrophobicContact CB-CD 4.49Å; L102-K117 HydrophobicContact CD2-CB 4.1Å; L102-K117 HydrophobicContact CD2-CD 4.21Å; L102-K117 WeakPolarHBondContact O-CE 3.41Å; L102-K117 PolarHBondContact O-NZ 3.38Å; L109-K117 HydrophobicContact CD1-CD 3.73Å; L113-K117 WeakPolarHBondContact O-CB 3.4Å; L113-K117 PolarHBondContact O-N 3.25Å; S114-K117 PolarHBondContact O-N 3.45Å
118A96.3Very high96.1Very high73 Ų7360.9 Ų60.960%0.60333%0.332SS*.Hα-helixtrans-72.3-45.1174.500000112.5S114 I116 K121S114-A118 WeakPolarHBondContact O-CB 3.43Å; S114-A118 PolarHBondContact O-N 2.83Å; I116-A118 VanDerWaalsContact C-N 3.27Å; I116-A118 PolarHBondContact O-N 3.46Å; A118-K121 PolarHBondContact O-N 2.93Å
119F96.7Very high96.2Very high134 Ų13454.9 Ų54.959%0.58830%0.304SS*.Hα-helixtrans-63.6-40.4-179175.3-109000112.9R115 I116 F123 A131R115-F119 WeakPolarHBondContact O-CB 3.36Å; R115-F119 PolarHBondContact O-N 3.47Å; I116-F119 PolarHBondContact O-N 2.95Å; I116-F119 VanDerWaalsContact O-N 3.12Å; F119-F123 HydrophobicContact CD1-CE2 4.27Å; F119-F123 AromaticContact CE1-CE2 3.83Å; F119-F123 HydrophobicContact CE1-CE2 3.83Å; F119-F123 HydrophobicContact CE1-CZ 4.22Å; F119-F123 HydrophobicContact CE2-CZ 4.39Å; F119-F123 HydrophobicContact CZ-CE2 4.11Å; F119-F123 HydrophobicContact CZ-CZ 4.13Å; F119-F123 VanDerWaalsContact O-CE1 3.3Å; F119-F123 WeakPolarHBondContact O-CE1 3.4Å; F119-F123 VanDerWaalsContact O-CZ 3.28Å; F119-F123 WeakPolarHBondContact O-CZ 3.38Å; F119-A131 HydrophobicContact CD1-CB 4.4Å; F119-A131 HydrophobicContact CE1-CB 4.26Å
120T97Very high96.3Very high1 Ų160 Ų601%0.00632%0.323CS..THydrogen-bonded Turntrans-93.517-177.169.60000114F82 I116 G122 F123 K128 A131F82-T120 WeakPolarHBondContact CE2-OG1 3.21Å; I116-T120 HydrophobicContact CG2-CG2 4.35Å; I116-T120 PolarHBondContact O-N 3.12Å; I116-T120 PolarHBondContact O-OG1 3.27Å; T120-G122 PolarHBondContact O-N 3.1Å; T120-F123 HydrophobicContact CG2-CD2 4.13Å; T120-F123 HydrophobicContact CG2-CE2 4.45Å; T120-F123 WeakPolarHBondContact O-CB 3.33Å; T120-F123 PolarHBondContact O-N 2.97Å; T120-K128 VanDerWaalsContact O-CE 3.32Å; T120-K128 WeakPolarHBondContact O-CE 3.33Å; T120-A131 HydrophobicContact CG2-CB 3.43Å; T120-A131 VanDerWaalsContact CG2-CB 3.43Å
121K95.8Very high96.3Very high163 Ų16359.6 Ų59.671%0.70932%0.317SS*.THydrogen-bonded Turntrans-66.5126.7179-174.1174.4-179.7178.10109.8A118 F123A118-K121 PolarHBondContact O-N 2.93Å; K121-F123 PolarHBondContact O-N 3.43Å
122G94.3Very high96.4Very high46 Ų4653.8 Ų53.847%0.47428%0.282SS..THydrogen-bonded Turntrans74.15.4-176.800000115.1N79 T120N79-G122 PolarHBondContact O-N 2.85Å; T120-G122 PolarHBondContact O-N 3.1Å
123F97.1Very high96.3Very high69 Ų6953.5 Ų53.530%0.30328%0.283SS..  trans-75.2149.5176.4-81.326.8000111.6N79 F119 T120 K121 K128N79-F123 PolarHBondContact OD1-O 3.4Å; F119-F123 HydrophobicContact CD1-CE2 4.27Å; F119-F123 AromaticContact CE1-CE2 3.83Å; F119-F123 HydrophobicContact CE1-CE2 3.83Å; F119-F123 HydrophobicContact CE1-CZ 4.22Å; F119-F123 HydrophobicContact CE2-CZ 4.39Å; F119-F123 HydrophobicContact CZ-CE2 4.11Å; F119-F123 HydrophobicContact CZ-CZ 4.13Å; F119-F123 VanDerWaalsContact O-CE1 3.3Å; F119-F123 WeakPolarHBondContact O-CE1 3.4Å; F119-F123 VanDerWaalsContact O-CZ 3.28Å; F119-F123 WeakPolarHBondContact O-CZ 3.38Å; T120-F123 HydrophobicContact CG2-CD2 4.13Å; T120-F123 HydrophobicContact CG2-CE2 4.45Å; T120-F123 WeakPolarHBondContact O-CB 3.33Å; T120-F123 PolarHBondContact O-N 2.97Å; K121-F123 PolarHBondContact O-N 3.43Å; F123-K128 HydrophobicContact CB-CG 3.89Å; F123-K128 WeakPolarHBondContact O-CD 3.36Å; F123-K128 WeakPolarHBondContact O-CE 3.37Å; F123-K128 PolarHBondContact O-NZ 3.02Å
124S96.9Very high96.1Very high42 Ų4259.5 Ų59.529%0.29432%0.315SS..  trans-61.3155.7169.870.50000111.9N79 E126 S127 K128N79-S124 WeakPolarHBondContact OD1-CA 3.37Å; S124-E126 VanDerWaalsContact C-N 3.26Å; S124-E126 PolarHBondContact O-N 2.81Å; S124-S127 CarbonylContact O-C 3.5Å; S124-S127 WeakPolarHBondContact O-CA 3.37Å; S124-S127 WeakPolarHBondContact O-CB 3.4Å; S124-S127 PolarHBondContact O-N 3.33Å; S124-S127 WeakPolarHBondContact OG-CB 3.35Å; S124-S127 PolarHBondContact OG-N 3.3Å; S124-S127 PolarHBondContact OG-OG 3.1Å; S124-K128 PolarHBondContact O-N 2.88Å
125P97.2Very high96.1Very high14 Ų1457.2 Ų57.29%0.09130%0.3CS..Hα-helixtrans-59.2-34.4179.5-27.236.6000114.1V78 F83 A84 H85 K128 G129V78-P125 HydrophobicContact CG1-CG 3.48Å; V78-P125 VanDerWaalsContact CG1-CG 3.48Å; F83-P125 HydrophobicContact CD1-CB 3.69Å; F83-P125 HydrophobicContact CD1-CG 3.54Å; F83-P125 HydrophobicContact CE1-CB 3.92Å; F83-P125 HydrophobicContact CE1-CG 4.01Å; F83-P125 WeakPolarHBondContact O-CA 3.38Å; A84-P125 WeakPolarHBondContact CA-O 3.36Å; H85-P125 PolarHBondContact N-O 3.49Å; P125-K128 PolarHBondContact O-N 3.46Å; P125-G129 PolarHBondContact O-N 2.7Å
126E96.4Very high95.9Very high99 Ų9954.8 Ų54.846%0.46330%0.301SS..Hα-helixtrans-63.7-45.7171.7-176.3179.2-161.200111.2H85 L87 S124 K128 G129 Y130H85-E126 PolarHBondContact ND1-N 3.41Å; L87-E126 HydrophobicContact CD1-CG 4.08Å; L87-E126 WeakPolarHBondContact CD1-O 3.43Å; L87-E126 HydrophobicContact CD2-CG 4.46Å; S124-E126 VanDerWaalsContact C-N 3.26Å; S124-E126 PolarHBondContact O-N 2.81Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.46Å; E126-G129 WeakPolarHBondContact O-CA 3.4Å; E126-G129 PolarHBondContact O-N 3.33Å; E126-G129 VanDerWaalsContact O-N 3.14Å; E126-Y130 HydrophobicContact CG-CD2 3.99Å; E126-Y130 HydrophobicContact CG-CE2 3.78Å; E126-Y130 WeakPolarHBondContact O-CD2 3.29Å; E126-Y130 PolarHBondContact O-N 3.04Å
127S97.5Very high95.9Very high47 Ų4757.4 Ų57.433%0.32931%0.313SS..Hα-helixtrans-65.7-35.9177.8-57.60000112.4S124 Y130 A131S124-S127 CarbonylContact O-C 3.5Å; S124-S127 WeakPolarHBondContact O-CA 3.37Å; S124-S127 WeakPolarHBondContact O-CB 3.4Å; S124-S127 PolarHBondContact O-N 3.33Å; S124-S127 WeakPolarHBondContact OG-CB 3.35Å; S124-S127 PolarHBondContact OG-N 3.3Å; S124-S127 PolarHBondContact OG-OG 3.1Å; S127-Y130 PolarHBondContact O-N 2.97Å; S127-A131 PolarHBondContact O-N 3.35Å
128K98Very high95.9Very high3 Ų353.7 Ų53.71%0.01330%0.297CS..Hα-helixtrans-63.5-42.7170.6-74.5163.3175.9155.90110.9V78 N79 M81 F82 F83 A84 T120 F123 S124 P125 E126 A131 I132V78-K128 PolarHBondContact O-NZ 2.99Å; N79-K128 PolarHBondContact O-NZ 2.97Å; M81-K128 PolarHBondContact O-NZ 3.33Å; F82-K128 HydrophobicContact CE2-CG 4.42Å; F83-K128 WeakPolarHBondContact O-CD 3.25Å; A84-K128 HydrophobicContact CB-CB 3.73Å; T120-K128 VanDerWaalsContact O-CE 3.32Å; T120-K128 WeakPolarHBondContact O-CE 3.33Å; F123-K128 HydrophobicContact CB-CG 3.89Å; F123-K128 WeakPolarHBondContact O-CD 3.36Å; F123-K128 WeakPolarHBondContact O-CE 3.37Å; F123-K128 PolarHBondContact O-NZ 3.02Å; S124-K128 PolarHBondContact O-N 2.88Å; P125-K128 PolarHBondContact O-N 3.46Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.46Å; K128-A131 PolarHBondContact O-N 2.85Å; K128-I132 WeakPolarHBondContact O-CG1 3.19Å; K128-I132 PolarHBondContact O-N 3.25Å; K128-I132 VanDerWaalsContact O-N 3.08Å
129G96.3Very high95.8Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-60-45.6173.400000113.4H85 P125 E126 A131 I132 G133H85-G129 WeakPolarHBondContact O-CA 3.43Å; P125-G129 PolarHBondContact O-N 2.7Å; E126-G129 WeakPolarHBondContact O-CA 3.4Å; E126-G129 PolarHBondContact O-N 3.33Å; E126-G129 VanDerWaalsContact O-N 3.14Å; G129-A131 VanDerWaalsContact C-N 3.32Å; G129-A131 PolarHBondContact O-N 3.24Å; G129-I132 PolarHBondContact O-N 3.09Å; G129-G133 PolarHBondContact O-N 2.91Å
130Y96.4Very high95.8Very high124 Ų12453.4 Ų53.449%0.48628%0.281SS..Hα-helixtrans-62.1-37.4173.9-83.8-61.1000112.6L87 E126 S127 G133 N134L87-Y130 HydrophobicContact CD1-CD1 3.75Å; L87-Y130 HydrophobicContact CD1-CD2 3.39Å; L87-Y130 HydrophobicContact CD1-CE1 3.8Å; L87-Y130 HydrophobicContact CD1-CE2 3.46Å; L87-Y130 VanDerWaalsContact CD1-CE2 3.46Å; L87-Y130 HydrophobicContact CD1-CG 3.54Å; E126-Y130 HydrophobicContact CG-CD2 3.99Å; E126-Y130 HydrophobicContact CG-CE2 3.78Å; E126-Y130 WeakPolarHBondContact O-CD2 3.29Å; E126-Y130 PolarHBondContact O-N 3.04Å; S127-Y130 PolarHBondContact O-N 2.97Å; Y130-G133 PolarHBondContact O-N 3.21Å; Y130-N134 WeakPolarHBondContact O-CB 3.47Å; Y130-N134 PolarHBondContact O-N 3.44Å; Y130-N134 VanDerWaalsContact O-N 3.1Å; Y130-N134 PolarHBondContact O-ND2 3.35Å
131A96.5Very high95.7Very high18 Ų1853.7 Ų53.715%0.14928%0.283CS..Hα-helixtrans-66.1-39.2176.500000112.6F119 T120 S127 K128 G129 A135F119-A131 HydrophobicContact CD1-CB 4.4Å; F119-A131 HydrophobicContact CE1-CB 4.26Å; T120-A131 HydrophobicContact CG2-CB 3.43Å; T120-A131 VanDerWaalsContact CG2-CB 3.43Å; S127-A131 PolarHBondContact O-N 3.35Å; K128-A131 PolarHBondContact O-N 2.85Å; G129-A131 VanDerWaalsContact C-N 3.32Å; G129-A131 PolarHBondContact O-N 3.24Å; A131-A135 PolarHBondContact O-N 3.46Å
132I96.2Very high95.7Very high0 Ų046 Ų460%025%0.249CC..Hα-helixtrans-64.7-49.7173.1-63.4165.9000110.2W6 F82 A84 L98 K128 G129 N134 A135 L138W6-I132 HydrophobicContact CH2-CG2 4.16Å; F82-I132 HydrophobicContact CE1-CD1 4.08Å; F82-I132 HydrophobicContact CZ-CD1 3.98Å; F82-I132 HydrophobicContact CZ-CG1 4.35Å; A84-I132 HydrophobicContact CB-CD1 3.77Å; L98-I132 HydrophobicContact CD1-CD1 4.17Å; L98-I132 HydrophobicContact CD1-CG1 4.13Å; L98-I132 HydrophobicContact CD1-CG2 4.03Å; K128-I132 WeakPolarHBondContact O-CG1 3.19Å; K128-I132 PolarHBondContact O-N 3.25Å; K128-I132 VanDerWaalsContact O-N 3.08Å; G129-I132 PolarHBondContact O-N 3.09Å; I132-N134 PolarHBondContact O-N 3.04Å; I132-A135 WeakPolarHBondContact O-CB 3.23Å; I132-A135 PolarHBondContact O-N 3.22Å; I132-A135 VanDerWaalsContact O-N 3.12Å; I132-L138 HydrophobicContact CG2-CD1 4.15Å
133G93.4Very high95.7Very high16 Ų1645.7 Ų45.717%0.16524%0.237CC..Hα-helixtrans-63.2-26-176.300000114.7G129 Y130G129-G133 PolarHBondContact O-N 2.91Å; Y130-G133 PolarHBondContact O-N 3.21Å
134N92.8Very high95.6Very high125 Ų12545 Ų4567%0.66824%0.241SC*.THydrogen-bonded Turntrans-98.37.5177.4-70.2-78.6000114.1Y130 I132 P136Y130-N134 WeakPolarHBondContact O-CB 3.47Å; Y130-N134 PolarHBondContact O-N 3.44Å; Y130-N134 VanDerWaalsContact O-N 3.1Å; Y130-N134 PolarHBondContact O-ND2 3.35Å; I132-N134 PolarHBondContact O-N 3.04Å; N134-P136 WeakPolarHBondContact O-CD 3.36Å
135A94.6Very high95.4Very high9 Ų943.6 Ų43.67%0.07423%0.23CC..  trans-87.7102.9175.900000111I116 A131 I132 E137 L138 A139I116-A135 HydrophobicContact CD1-CB 4.13Å; A131-A135 PolarHBondContact O-N 3.46Å; I132-A135 WeakPolarHBondContact O-CB 3.23Å; I132-A135 PolarHBondContact O-N 3.22Å; I132-A135 VanDerWaalsContact O-N 3.12Å; A135-E137 VanDerWaalsContact C-N 3.26Å; A135-E137 PolarHBondContact O-N 3.49Å; A135-L138 HydrophobicContact CB-CB 4.14Å; A135-L138 HydrophobicContact CB-CD1 3.82Å; A135-L138 HydrophobicContact CB-CG 3.81Å; A135-L138 PolarHBondContact O-N 3.09Å; A135-A139 PolarHBondContact O-N 3.45Å; A135-A139 VanDerWaalsContact O-N 3.12Å
136P93.6Very high95.2Very high79 Ų7943.2 Ų43.251%0.51323%0.228SC..Hα-helixtrans-69-22.7-174.130.3-37.3000113.1N134 R140N134-P136 WeakPolarHBondContact O-CD 3.36Å; P136-R140 VanDerWaalsContact O-CB 3.24Å; P136-R140 WeakPolarHBondContact O-CB 3.31Å; P136-R140 PolarHBondContact O-N 2.89Å; P136-R140 VanDerWaalsContact O-N 3.12Å
137E94.9Very high94.6Very high66 Ų6645 Ų4531%0.30823%0.23SC..Hα-helixtrans-67.7-44.4173.2-55.896.614500111.1T112 R115 A135 R140 A141T112-E137 HydrophobicContact CG2-CB 4Å; R115-E137 IonicContact CZ-OE1 3.85Å; R115-E137 IonicContact NH1-OE1 2.78Å; R115-E137 PolarHBondContact NH1-OE1 3.45Å; R115-E137 VanDerWaalsContact NH1-OE1 3.13Å; R115-E137 VanDerWaalsContact NH2-CD 3.26Å; R115-E137 IonicContact NH2-OE1 3.14Å; R115-E137 PolarHBondContact NH2-OE1 2.71Å; R115-E137 IonicContact NH2-OE2 2.8Å; R115-E137 PolarHBondContact NH2-OE2 3.01Å; A135-E137 VanDerWaalsContact C-N 3.26Å; A135-E137 PolarHBondContact O-N 3.49Å; E137-R140 PolarHBondContact O-N 2.92Å; E137-A141 PolarHBondContact O-N 2.93Å
138L96.1Very high93.6Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-66.5-46.3178.3-59.6-175000111.6W6 F23 L98 T112 L113 I116 I132 A135 R140 A141 H142W6-L138 HydrophobicContact CH2-CB 3.92Å; W6-L138 HydrophobicContact CZ2-CB 4.46Å; F23-L138 HydrophobicContact CD1-CD2 3.59Å; F23-L138 HydrophobicContact CD2-CD2 4.47Å; F23-L138 HydrophobicContact CE1-CB 4.33Å; F23-L138 HydrophobicContact CE1-CD2 3.62Å; F23-L138 HydrophobicContact CG-CD2 4.05Å; F23-L138 HydrophobicContact CZ-CD2 4.1Å; L98-L138 HydrophobicContact CD1-CD1 3.78Å; T112-L138 HydrophobicContact CG2-CD2 4.3Å; L113-L138 HydrophobicContact CD2-CD2 3.69Å; I116-L138 HydrophobicContact CD1-CD1 3.63Å; I116-L138 HydrophobicContact CD1-CD2 4.43Å; I116-L138 HydrophobicContact CD1-CG 4.07Å; I132-L138 HydrophobicContact CG2-CD1 4.15Å; A135-L138 HydrophobicContact CB-CB 4.14Å; A135-L138 HydrophobicContact CB-CD1 3.82Å; A135-L138 HydrophobicContact CB-CG 3.81Å; A135-L138 PolarHBondContact O-N 3.09Å; L138-R140 PolarHBondContact O-N 2.73Å; L138-A141 PolarHBondContact O-N 3.32Å; L138-H142 VanDerWaalsContact O-CB 3.22Å; L138-H142 WeakPolarHBondContact O-CB 3.3Å; L138-H142 PolarHBondContact O-N 2.73Å
139A95Very high92.1Very high20 Ų2050.5 Ų50.517%0.16526%0.255CS..Hα-helixtrans-62.1-32.9178.300000112.3W6 A135 N143W6-A139 HydrophobicContact CD2-CB 4.46Å; W6-A139 HydrophobicContact CZ2-CB 3.75Å; A135-A139 PolarHBondContact O-N 3.45Å; A135-A139 VanDerWaalsContact O-N 3.12Å; A139-N143 VanDerWaalsContact O-CB 3.28Å; A139-N143 WeakPolarHBondContact O-CB 3.42Å; A139-N143 PolarHBondContact O-N 3.35Å
140R94.8Very high90.3Very high181 Ų18155.3 Ų55.368%0.68329%0.286SS*.Hα-helixtrans-70.3-52.9176.2-172.1-172.3-53.1177.14.3111.8P136 E137 L138 H142 N143 S144P136-R140 VanDerWaalsContact O-CB 3.24Å; P136-R140 WeakPolarHBondContact O-CB 3.31Å; P136-R140 PolarHBondContact O-N 2.89Å; P136-R140 VanDerWaalsContact O-N 3.12Å; E137-R140 PolarHBondContact O-N 2.92Å; L138-R140 PolarHBondContact O-N 2.73Å; R140-H142 VanDerWaalsContact C-N 3.29Å; R140-H142 PolarHBondContact O-N 3.1Å; R140-N143 PolarHBondContact O-N 3.48Å; R140-S144 PolarHBondContact O-N 3.41Å; R140-S144 PolarHBondContact O-OG 3Å; R140-S144 VanDerWaalsContact O-OG 3.11Å
141A96.3Very high88.2Confident7 Ų756.8 Ų56.86%0.05829%0.291CS..Hα-helixtrans-61.9-3617900000112.3L19 D22 F23 E137 L138 S144 H145L19-A141 HydrophobicContact CD1-CB 4.18Å; L19-A141 WeakPolarHBondContact CD1-O 3.39Å; D22-A141 HydrophobicContact CB-CB 3.91Å; F23-A141 HydrophobicContact CD1-CB 3.86Å; F23-A141 HydrophobicContact CE1-CB 3.82Å; E137-A141 PolarHBondContact O-N 2.93Å; L138-A141 PolarHBondContact O-N 3.32Å; A141-S144 WeakPolarHBondContact CA-OG 3.27Å; A141-S144 PolarHBondContact O-OG 3.23Å; A141-H145 PolarHBondContact O-CD2 2.9Å
142H96Very high86Confident0 Ų064.1 Ų64.10%032%0.322CS..Hα-helixtrans-63.3-52.2171.1-177.7100.4000111.4W6 L7 L9 T94 L138 R140 S144 H145W6-H142 HydrophobicContact CE3-CB 3.87Å; W6-H142 AromaticContact CE3-CD2 3.5Å; W6-H142 AromaticContact CE3-CE1 3.73Å; W6-H142 AromaticContact CE3-CG 3.4Å; W6-H142 AromaticContact CE3-ND1 3.54Å; W6-H142 AromaticContact CE3-NE2 3.68Å; W6-H142 HydrophobicContact CZ3-CB 3.79Å; W6-H142 AromaticContact CZ3-CG 3.68Å; W6-H142 AromaticContact CZ3-ND1 3.68Å; L7-H142 PolarHBondContact O-NE2 3.23Å; L9-H142 VanDerWaalsContact CD1-CE1 3.43Å; L9-H142 WeakPolarHBondContact CD1-CE1 3.46Å; L9-H142 VanDerWaalsContact CD1-ND1 3.35Å; L9-H142 WeakPolarHBondContact CD1-ND1 3.43Å; T94-H142 PolarHBondContact OG1-ND1 3.03Å; L138-H142 VanDerWaalsContact O-CB 3.22Å; L138-H142 WeakPolarHBondContact O-CB 3.3Å; L138-H142 PolarHBondContact O-N 2.73Å; R140-H142 VanDerWaalsContact C-N 3.29Å; R140-H142 PolarHBondContact O-N 3.1Å; H142-S144 VanDerWaalsContact C-N 3.31Å; H142-S144 PolarHBondContact O-N 2.67Å; H142-H145 PolarHBondContact O-N 3.03Å
143N94.1Very high83.8Confident40 Ų4071.6 Ų71.621%0.21436%0.361CS..Hα-helixtrans-72.1-16.7-177.2-78.3-8.1000114.6G5 W6 L7 A139 R140G5-N143 PolarHBondContact O-ND2 3.01Å; W6-N143 WeakPolarHBondContact CA-OD1 3.34Å; L7-N143 HydrophobicContact CD1-CB 4.44Å; L7-N143 PolarHBondContact N-OD1 3.17Å; A139-N143 VanDerWaalsContact O-CB 3.28Å; A139-N143 WeakPolarHBondContact O-CB 3.42Å; A139-N143 PolarHBondContact O-N 3.35Å; R140-N143 PolarHBondContact O-N 3.48Å
144S93.8Very high81.5Confident56 Ų5676.1 Ų76.139%0.39239%0.388SS..Hα-helixtrans-74.7-25.9173.8430000113.6R140 A141 H142 T666R140-S144 PolarHBondContact O-N 3.41Å; R140-S144 PolarHBondContact O-OG 3Å; R140-S144 VanDerWaalsContact O-OG 3.11Å; A141-S144 WeakPolarHBondContact CA-OG 3.27Å; A141-S144 PolarHBondContact O-OG 3.23Å; H142-S144 VanDerWaalsContact C-N 3.31Å; H142-S144 PolarHBondContact O-N 2.67Å; S144-T666 WeakPolarHBondContact O-CG2 3.43Å
145H94.4Very high79.4Confident12 Ų1279 Ų796%0.05640%0.397CS..SBendtrans-92.4-5.5175.1-65.6-53.2000113.8L9 L15 L19 D22 A141 H142 D662L9-H145 HydrophobicContact CD2-CB 4.14Å; L15-H145 HydrophobicContact CD1-CB 4.39Å; L15-H145 HydrophobicContact CD2-CB 3.77Å; L15-H145 HydrophobicContact CG-CB 3.91Å; L19-H145 PolarHBondContact N-NE2 3.32Å; D22-H145 IonicContact OD2-NE2 3.75Å; A141-H145 PolarHBondContact O-CD2 2.9Å; H142-H145 PolarHBondContact O-N 3.03Å; H145-D662 IonicContact CE1-OD2 2.73Å; H145-D662 PolarHBondContact CE1-OD2 3.24Å; H145-D662 IonicContact CG-OD2 3.49Å; H145-D662 IonicContact ND1-OD1 3.35Å; H145-D662 PolarHBondContact ND1-OD1 2.85Å; H145-D662 IonicContact ND1-OD2 2.92Å; H145-D662 PolarHBondContact ND1-OD2 3.34Å
146A91.8Very high77Confident6 Ų687.5 Ų87.55%0.0543%0.432CS..SBendtrans-78.8148.3176.800000111.6L7 L9L7-A146 HydrophobicContact CB-CB 3.42Å; L7-A146 VanDerWaalsContact CB-CB 3.42Å; L7-A146 HydrophobicContact CD1-CB 3.81Å; L7-A146 HydrophobicContact CG-CB 4.25Å; L9-A146 HydrophobicContact CD2-CB 3.83Å
147R84.3Confident74.7Confident136 Ų13692.5 Ų92.551%0.51345%0.449SS..PPolyproline II helixtrans-64.9144.2173.4-62.3-164.3178.6-156.96.3110.3E10 E149E10-R147 IonicContact OE1-CZ 3.73Å; E10-R147 VanDerWaalsContact OE1-CZ 3.28Å; E10-R147 IonicContact OE1-NE 3.26Å; E10-R147 PolarHBondContact OE1-NE 2.97Å; E10-R147 IonicContact OE1-NH2 2.68Å; E10-R147 PolarHBondContact OE1-NH2 3.48Å; E10-R147 IonicContact OE2-CZ 3.44Å; E10-R147 IonicContact OE2-NE 2.77Å; E10-R147 PolarHBondContact OE2-NE 3.49Å; E10-R147 IonicContact OE2-NH2 3.31Å; E10-R147 PolarHBondContact OE2-NH2 3.44Å; R147-E149 PolarHBondContact O-N 3.43Å
148P76.5Confident71.9Confident48 Ų4896.8 Ų96.831%0.31247%0.474SS..PPolyproline II helixtrans-55.9124.5172.2-25.334.8000110.8P150 T666 N668P148-P150 WeakPolarHBondContact O-CD 3.42Å; P148-T666 WeakPolarHBondContact CD-O 3.4Å; P148-T666 WeakPolarHBondContact CG-O 3.31Å; P148-N668 HydrophobicContact CB-CB 4.37Å; P148-N668 HydrophobicContact CG-CB 4.14Å
149E66.9Low69.2Low117 Ų117100.3 Ų100.355%0.54751%0.51SS..PPolyproline II helixtrans-57.1119.2171.9-175.3174.8-136.900108.9R147 R151R147-E149 PolarHBondContact O-N 3.43Å; E149-R151 PolarHBondContact O-N 2.89Å
150P57.2Low66.9Low102 Ų102107.5 Ų107.566%0.66254%0.544SS*.PPolyproline II helixtrans-56.7131.4-175.8-26.734.9000110.7P148 H152P148-P150 WeakPolarHBondContact O-CD 3.42Å; P150-H152 PolarHBondContact O-N 3.06Å; P150-H152 VanDerWaalsContact O-N 3.07Å
151R53.8Low64.1Low155 Ų155103.7 Ų103.759%0.58555%0.545SS*.PPolyproline II helixtrans-51.5121.7179-73.9176.8174154.1-4.4109.3E149 L153 D670E149-R151 PolarHBondContact O-N 2.89Å; R151-L153 PolarHBondContact O-N 3.11Å; R151-D670 VanDerWaalsContact CD-OD2 3.27Å; R151-D670 WeakPolarHBondContact CD-OD2 3.42Å; R151-D670 WeakPolarHBondContact CG-OD2 3.34Å; R151-D670 IonicContact NE-OD2 2.85Å
152H48.9Very low61.5Low171 Ų171107 Ų10779%0.79257%0.572SS**  trans-55.296.5179.8-88.1-155000111P150P150-H152 PolarHBondContact O-N 3.06Å; P150-H152 VanDerWaalsContact O-N 3.07Å
153L50.3Low58.8Low157 Ų157113.8 Ų113.882%0.82261%0.614SS**  trans-57.5126.7161.3-72.4173.2000106.8R151 E155R151-L153 PolarHBondContact O-N 3.11Å; L153-E155 PolarHBondContact O-N 3.49Å
154P45.6Very low56.2Low112 Ų112122.5 Ų122.573%0.72764%0.644SS**  trans-52115.1-174.5-30.235.6000111.3K156P154-K156 PolarHBondContact O-N 3.2Å
155E49.2Very low53.8Low184 Ų184125.9 Ų125.986%0.8666%0.662SS**  trans-64.499.9-171.9-170.4-176.6-177.900109.3L153 Q157L153-E155 PolarHBondContact O-N 3.49Å; E155-Q157 PolarHBondContact O-N 2.62Å
156K42.5Very low51.8Low189 Ų189134 Ų13482%0.82270%0.702SS**  trans-71.787.4176.1-76.8-176.2177.91740108.4P154 N158P154-K156 PolarHBondContact O-N 3.2Å; K156-N158 VanDerWaalsContact C-N 3.32Å; K156-N158 WeakPolarHBondContact O-CB 3.46Å; K156-N158 PolarHBondContact O-N 3.2Å
157Q45.6Very low50.5Low184 Ų184137.7 Ų137.786%0.8672%0.718SS**  trans-45.385.5178.9-170.9178.44700112.4E155E155-Q157 PolarHBondContact O-N 2.62Å
158N37.5Very low50.1Low155 Ų155133.4 Ų133.483%0.82971%0.712SS**  trans-156.998.2-176-102.1-37.2000110.4K156K156-N158 VanDerWaalsContact C-N 3.32Å; K156-N158 WeakPolarHBondContact O-CB 3.46Å; K156-N158 PolarHBondContact O-N 3.2Å
159G39.1Very low50.6Low74 Ų74134.7 Ų134.776%0.76371%0.713SS**  trans92.7103170.700000113.6S161G159-S161 PolarHBondContact O-N 3.13Å
160I45.3Very low51.8Low171 Ų171129.4 Ų129.488%0.87769%0.688SS**  trans-62.7103.2167.5-59.5164.3000107.7A162I160-A162 PolarHBondContact O-N 3.31Å
161S37.2Very low53.6Low101 Ų101125.1 Ų125.171%0.70666%0.659SS**  trans-77.670.8175.1-174.30000110.8G159G159-S161 PolarHBondContact O-N 3.13Å
162A42Very low55.6Low76 Ų76117.7 Ų117.763%0.62863%0.631SS**  trans-51.5151.3158.900000109.8I160I160-A162 PolarHBondContact O-N 3.31Å
163V38.7Very low58Low144 Ų144109.6 Ų109.687%0.87359%0.593SS**SBendtrans74.238.1-171.2-154.50000114.5
164R39.5Very low60.2Low223 Ų223102.1 Ų102.184%0.84255%0.554SS**  trans-128.689.9133.1-82.2-167.8176-176.6-1.9109.8M166R164-M166 PolarHBondContact O-N 3.36Å
165T42.9Very low62.7Low127 Ų12796.9 Ų96.978%0.77952%0.52SS*.  trans-64.9109.6154.546.30000106.6E167T165-E167 PolarHBondContact O-N 2.87Å
166M53.7Low64.9Low181 Ų18189.9 Ų89.989%0.89249%0.49SS*.  trans-61.3122.2174-76.4-179.2166.200108.5R164 A168R164-M166 PolarHBondContact O-N 3.36Å; M166-A168 VanDerWaalsContact C-N 3.31Å; M166-A168 PolarHBondContact O-N 3.12Å
167E63.1Low67.3Low85 Ų8582 Ų8240%0.39746%0.457SS..  trans-8183.2179.3-61.9-170.4127.200108.3K52 T165 F169 R228K52-E167 HydrophobicContact CD-CB 4.31Å; K52-E167 HydrophobicContact CD-CG 4.5Å; K52-E167 WeakPolarHBondContact CE-OE1 3.42Å; K52-E167 IonicContact NZ-OE1 2.74Å; K52-E167 PolarHBondContact NZ-OE1 3.2Å; T165-E167 PolarHBondContact O-N 2.87Å; E167-F169 WeakPolarHBondContact O-CD2 3.43Å; E167-F169 WeakPolarHBondContact O-CE2 2.79Å; E167-R228 IonicContact OE1-CZ 3.4Å; E167-R228 IonicContact OE1-NH1 2.78Å; E167-R228 PolarHBondContact OE1-NH1 3.07Å; E167-R228 IonicContact OE1-NH2 2.75Å; E167-R228 IonicContact OE2-CZ 3.48Å; E167-R228 IonicContact OE2-NH1 3.2Å; E167-R228 PolarHBondContact OE2-NH1 3.32Å
168A76.1Confident69.4Low45 Ų4580.2 Ų80.237%0.37245%0.447SS..  trans-60.2145.5174.600000110.7W53 M166W53-A168 HydrophobicContact CB-CB 4.35Å; W53-A168 WeakPolarHBondContact CB-O 3.2Å; W53-A168 HydrophobicContact CE3-CB 4.25Å; W53-A168 PolarHBondContact N-O 3.02Å; M166-A168 VanDerWaalsContact C-N 3.31Å; M166-A168 PolarHBondContact O-N 3.12Å
169F88.4Confident72Confident76 Ų7678.7 Ų78.733%0.33344%0.438SS..EExtended strand (participates in β ladder)trans-113.1152174.3-75.3-96.1000110L50 K52 E167 R228L50-F169 HydrophobicContact CD1-CB 3.67Å; L50-F169 HydrophobicContact CD1-CD1 4.48Å; L50-F169 HydrophobicContact CD2-CB 4.47Å; L50-F169 HydrophobicContact CD2-CD1 4.37Å; L50-F169 HydrophobicContact CG-CB 4.23Å; L50-F169 HydrophobicContact CG-CD1 4.17Å; K52-F169 HydrophobicContact CB-CD1 4.23Å; K52-F169 HydrophobicContact CB-CE1 3.92Å; K52-F169 HydrophobicContact CB-CZ 4.35Å; E167-F169 WeakPolarHBondContact O-CD2 3.43Å; E167-F169 WeakPolarHBondContact O-CE2 2.79Å; F169-R228 HydrophobicContact CE1-CB 3.88Å; F169-R228 HydrophobicContact CZ-CB 4.05Å
170H92.1Very high74.6Confident5 Ų579.8 Ų79.82%0.02342%0.419CS..EExtended strand (participates in β ladder)trans-134.8136.3-179.1-17146000112.9L50 F51 W53 D185 L187L50-H170 WeakPolarHBondContact CA-O 3.42Å; L50-H170 WeakPolarHBondContact CD1-O 3.35Å; F51-H170 WeakPolarHBondContact CD1-O 3.41Å; F51-H170 HydrophobicContact CZ-CB 4.32Å; F51-H170 PolarHBondContact N-O 2.62Å; F51-H170 PolarHBondContact O-N 3.45Å; W53-H170 HydrophobicContact CB-CB 4.24Å; W53-H170 HydrophobicContact CG-CB 4.46Å; H170-D185 IonicContact CD2-OD1 3.66Å; H170-D185 IonicContact CE1-OD1 2.74Å; H170-D185 IonicContact NE2-OD1 3.78Å; H170-D185 PolarHBondContact NE2-OD1 2.77Å; H170-L187 VanDerWaalsContact CE1-CD1 3.49Å; H170-L187 WeakPolarHBondContact CE1-CD1 3.15Å
171F95.1Very high77Confident12 Ų1271.6 Ų71.65%0.05338%0.378CS..EExtended strand (participates in β ladder)trans-97.7136.2178-67.3-85.5000110.8F16 I48 F49 L50 C92 A93 A96 M232F16-F171 HydrophobicContact CE1-CE1 4.49Å; F16-F171 HydrophobicContact CE2-CE1 4.35Å; F16-F171 HydrophobicContact CE2-CZ 4.19Å; F16-F171 HydrophobicContact CZ-CD1 4.31Å; F16-F171 AromaticContact CZ-CE1 3.68Å; F16-F171 HydrophobicContact CZ-CE1 3.68Å; F16-F171 HydrophobicContact CZ-CE2 4.42Å; F16-F171 AromaticContact CZ-CZ 3.74Å; F16-F171 HydrophobicContact CZ-CZ 3.74Å; I48-F171 HydrophobicContact CG2-CD1 3.6Å; I48-F171 HydrophobicContact CG2-CE1 4.28Å; I48-F171 HydrophobicContact CG2-CG 4.47Å; F49-F171 WeakPolarHBondContact O-CA 3.17Å; L50-F171 HydrophobicContact CB-CD1 3.87Å; L50-F171 HydrophobicContact CB-CE1 3.79Å; L50-F171 HydrophobicContact CB-CZ 4.5Å; L50-F171 HydrophobicContact CD1-CD1 3.73Å; L50-F171 HydrophobicContact CD1-CD2 3.75Å; L50-F171 HydrophobicContact CD1-CE1 3.71Å; L50-F171 HydrophobicContact CD1-CE2 3.72Å; L50-F171 HydrophobicContact CD1-CG 3.76Å; L50-F171 HydrophobicContact CD1-CZ 3.71Å; L50-F171 HydrophobicContact CD2-CE1 3.93Å; L50-F171 HydrophobicContact CD2-CZ 3.87Å; L50-F171 HydrophobicContact CG-CD1 4.29Å; L50-F171 HydrophobicContact CG-CE1 4.02Å; L50-F171 HydrophobicContact CG-CZ 4.24Å; C92-F171 HydrophobicContact CB-CD2 4.11Å; A93-F171 HydrophobicContact CB-CD2 4.14Å; A93-F171 HydrophobicContact CB-CE2 3.86Å; A93-F171 HydrophobicContact CB-CZ 4.36Å; A96-F171 HydrophobicContact CB-CB 3.66Å; F171-M232 HydrophobicContact CE1-CE 4.05Å
172V95.8Very high79.8Confident0 Ų067.3 Ų67.30%035%0.346CS..EExtended strand (participates in β ladder)trans-131.7152.3168.7-60.80000110F49 F51 Y174 E183 D185F49-V172 HydrophobicContact CB-CG2 4.16Å; F49-V172 HydrophobicContact CD1-CG2 4.13Å; F49-V172 PolarHBondContact N-O 2.89Å; F49-V172 PolarHBondContact O-N 2.92Å; F51-V172 HydrophobicContact CE1-CG1 3.89Å; F51-V172 HydrophobicContact CE1-CG2 4Å; F51-V172 HydrophobicContact CZ-CG1 4.44Å; V172-Y174 HydrophobicContact CG2-CE2 4.07Å; V172-E183 HydrophobicContact CB-CG 4.49Å; V172-D185 HydrophobicContact CB-CB 4.32Å; V172-D185 HydrophobicContact CG1-CB 3.52Å; V172-D185 VanDerWaalsContact CG1-CG 3.47Å
173S98.2Very high82.4Confident0 Ų064 Ų640%032%0.318CS..EExtended strand (participates in β ladder)trans-112.4139.5-177.1-60.10000112.1F47 A96 E183 L184F47-S173 CarbonylContact O-C 3.52Å; F47-S173 VanDerWaalsContact O-CA 3.29Å; F47-S173 WeakPolarHBondContact O-CA 3.08Å; A96-S173 WeakPolarHBondContact CA-OG 3.18Å; A96-S173 WeakPolarHBondContact CB-OG 3.43Å; A96-S173 PolarHBondContact O-OG 3.36Å; S173-E183 CarbonylContact O-C 3.48Å; S173-E183 WeakPolarHBondContact O-CA 3.14Å; S173-L184 PolarHBondContact N-O 3.22Å; S173-L184 PolarHBondContact O-N 3.25Å
174Y97.6Very high85.2Confident0 Ų057.2 Ų57.20%028%0.277CS..EExtended strand (participates in β ladder)trans-111.3123172.1-66.9-86.6000109.6G46 F47 F49 V172 F182 E183 H194 V210 I211 R214G46-Y174 CarbonylContact C-O 3.6Å; G46-Y174 VanDerWaalsContact CA-O 3.22Å; G46-Y174 WeakPolarHBondContact CA-O 3.39Å; F47-Y174 PolarHBondContact N-O 3.44Å; F47-Y174 PolarHBondContact O-N 3.34Å; F49-Y174 HydrophobicContact CB-CD2 4.27Å; F49-Y174 HydrophobicContact CB-CE2 3.87Å; F49-Y174 HydrophobicContact CD1-CE2 4.48Å; F49-Y174 HydrophobicContact CG-CE2 4.42Å; V172-Y174 HydrophobicContact CG2-CE2 4.07Å; Y174-F182 VanDerWaalsContact CA-O 3.31Å; Y174-F182 WeakPolarHBondContact CA-O 3.28Å; Y174-E183 HydrophobicContact CD1-CB 3.95Å; Y174-E183 HydrophobicContact CD1-CG 4.31Å; Y174-E183 HydrophobicContact CE1-CB 3.65Å; Y174-E183 HydrophobicContact CE1-CG 3.76Å; Y174-E183 PolarHBondContact OH-OE2 2.75Å; Y174-H194 AromaticContact CE1-NE2 3.97Å; Y174-V210 HydrophobicContact CE1-CG1 3.86Å; Y174-I211 HydrophobicContact CD2-CD1 3.78Å; Y174-I211 HydrophobicContact CD2-CG1 4.03Å; Y174-I211 HydrophobicContact CE2-CD1 3.95Å; Y174-I211 HydrophobicContact CE2-CG1 3.7Å; Y174-I211 HydrophobicContact CG-CD1 4.3Å; Y174-R214 WeakPolarHBondContact OH-CD 3.05Å; Y174-R214 PolarHBondContact OH-NH1 2.88Å
175V96.6Very high87.8Confident2 Ų246.7 Ų46.71%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-137.1143-172.9-68.50000112.5V100 I177 F182 L184V100-V175 HydrophobicContact CB-CG1 4.27Å; V100-V175 HydrophobicContact CG1-CG1 4.4Å; V100-V175 HydrophobicContact CG2-CG1 3.96Å; V175-I177 HydrophobicContact CG2-CD1 3.82Å; V175-I177 HydrophobicContact CG2-CG1 3.98Å; V175-F182 HydrophobicContact CG2-CB 4.12Å; V175-F182 PolarHBondContact N-O 3.4Å; V175-F182 PolarHBondContact O-N 3.1Å; V175-L184 HydrophobicContact CG2-CD1 3.67Å; V175-L184 HydrophobicContact CG2-CG 4.05Å
176P95.2Very high90.2Very high37 Ų3741.3 Ų41.324%0.2421%0.207CC..EExtended strand (participates in β ladder)trans-79.2125.7166.732.3-32.4000110.4R180 W197 W203P176-R180 WeakPolarHBondContact CA-O 3.3Å; P176-W197 HydrophobicContact CB-CH2 3.68Å; P176-W197 HydrophobicContact CB-CZ3 3.98Å; P176-W203 HydrophobicContact CB-CB 4.24Å; P176-W203 HydrophobicContact CB-CD2 3.95Å; P176-W203 HydrophobicContact CB-CE3 4.38Å; P176-W203 HydrophobicContact CB-CG 3.87Å; P176-W203 HydrophobicContact CG-CD2 3.84Å; P176-W203 HydrophobicContact CG-CE3 4.34Å; P176-W203 HydrophobicContact CG-CG 4.11Å; P176-W203 HydrophobicContact CG-CZ2 4.2Å
177I93.8Very high92Very high24 Ų2435.9 Ų35.912%0.12318%0.181CC..EExtended strand (participates in β ladder)trans-137.8122.5173.1-54.8176.2000108.1M81 N103 V175 D179 R180 F182M81-I177 HydrophobicContact CB-CD1 4.12Å; N103-I177 HydrophobicContact CB-CD1 4.03Å; N103-I177 HydrophobicContact CB-CG1 4.28Å; V175-I177 HydrophobicContact CG2-CD1 3.82Å; V175-I177 HydrophobicContact CG2-CG1 3.98Å; I177-D179 VanDerWaalsContact C-N 3.33Å; I177-D179 PolarHBondContact O-N 3.36Å; I177-R180 PolarHBondContact N-O 2.73Å; I177-R180 PolarHBondContact O-N 3.21Å; I177-R180 VanDerWaalsContact O-N 3.07Å; I177-F182 HydrophobicContact CB-CD2 3.72Å; I177-F182 HydrophobicContact CB-CE2 3.89Å; I177-F182 HydrophobicContact CD1-CB 4.49Å; I177-F182 HydrophobicContact CD1-CD2 4.14Å; I177-F182 HydrophobicContact CD1-CG 4.41Å; I177-F182 HydrophobicContact CG1-CD2 4.13Å; I177-F182 HydrophobicContact CG2-CE2 4.47Å
178K90.4Very high93.3Very high147 Ų14734.2 Ų34.264%0.63917%0.173SC*.THydrogen-bonded Turntrans48.152.2177.9-59.7172.8-173172.80112.5D80 R180D80-K178 WeakPolarHBondContact OD2-CE 3.23Å; D80-K178 IonicContact OD2-NZ 3.29Å; D80-K178 PolarHBondContact OD2-NZ 3.18Å; K178-R180 PolarHBondContact O-N 2.93Å
179D90.8Very high94Very high122 Ų12235 Ų3565%0.65218%0.179SC*.THydrogen-bonded Turntrans5925.2179.3-49.7-48.4000115.5I177 P196 W197I177-D179 VanDerWaalsContact C-N 3.33Å; I177-D179 PolarHBondContact O-N 3.36Å; D179-P196 VanDerWaalsContact O-CA 3.29Å; D179-P196 WeakPolarHBondContact O-CA 3.19Å; D179-P196 WeakPolarHBondContact O-CB 3.49Å; D179-W197 VanDerWaalsContact CA-CH2 3.47Å; D179-W197 HydrophobicContact CB-CH2 4.49Å; D179-W197 HydrophobicContact CB-CZ2 4.26Å
180R94Very high94.2Very high97 Ų9735.5 Ų35.537%0.36618%0.179SC..EExtended strand (participates in β ladder)trans-131.1149.2176.2-56.7174.779.190.2-5.2111.2P176 I177 K178 F182 D193P176-R180 WeakPolarHBondContact CA-O 3.3Å; I177-R180 PolarHBondContact N-O 2.73Å; I177-R180 PolarHBondContact O-N 3.21Å; I177-R180 VanDerWaalsContact O-N 3.07Å; K178-R180 PolarHBondContact O-N 2.93Å; R180-F182 HydrophobicContact CB-CD2 4.4Å; R180-F182 HydrophobicContact CB-CE2 3.83Å; R180-D193 IonicContact CZ-OD1 2.72Å; R180-D193 IonicContact CZ-OD2 3.33Å; R180-D193 IonicContact NE-OD1 2.75Å; R180-D193 PolarHBondContact NE-OD1 3.12Å; R180-D193 IonicContact NE-OD2 3.5Å; R180-D193 PolarHBondContact NE-OD2 2.85Å; R180-D193 IonicContact NH2-OD1 2.86Å; R180-D193 IonicContact NH2-OD2 2.73Å; R180-D193 PolarHBondContact NH2-OD2 3.21Å
181L96.3Very high94.3Very high0 Ų035.3 Ų35.30%018%0.178CC..EExtended strand (participates in β ladder)trans-92.6118.6179.2173.965000110.5H194 G195 W203 K206 A207 V210L181-H194 HydrophobicContact CB-CB 4.24Å; L181-H194 HydrophobicContact CD2-CB 4.08Å; L181-H194 HydrophobicContact CG-CB 4.18Å; L181-H194 WeakPolarHBondContact O-CB 3.4Å; L181-H194 PolarHBondContact O-N 2.72Å; L181-G195 PolarHBondContact N-O 3.29Å; L181-W203 HydrophobicContact CD1-CE3 4.06Å; L181-W203 HydrophobicContact CD1-CZ3 4.25Å; L181-K206 HydrophobicContact CB-CD 4.36Å; L181-K206 HydrophobicContact CD2-CB 4.45Å; L181-K206 HydrophobicContact CD2-CD 4.3Å; L181-K206 HydrophobicContact CD2-CG 3.91Å; L181-A207 HydrophobicContact CD1-CB 4.01Å; L181-A207 HydrophobicContact CD2-CB 4.07Å; L181-V210 HydrophobicContact CD2-CG2 4Å
182F96.4Very high94.3Very high11 Ų1135.4 Ų35.45%0.04818%0.179CC..EExtended strand (participates in β ladder)trans-107.1139.9176-73.2-92.2000112.5V72 M81 Y174 V175 I177 R180 L184 I192 D193V72-F182 HydrophobicContact CG2-CE1 3.89Å; M81-F182 HydrophobicContact CE-CD1 4.05Å; M81-F182 HydrophobicContact CE-CE1 3.66Å; M81-F182 HydrophobicContact CE-CZ 4.07Å; Y174-F182 VanDerWaalsContact CA-O 3.31Å; Y174-F182 WeakPolarHBondContact CA-O 3.28Å; V175-F182 HydrophobicContact CG2-CB 4.12Å; V175-F182 PolarHBondContact N-O 3.4Å; V175-F182 PolarHBondContact O-N 3.1Å; I177-F182 HydrophobicContact CB-CD2 3.72Å; I177-F182 HydrophobicContact CB-CE2 3.89Å; I177-F182 HydrophobicContact CD1-CB 4.49Å; I177-F182 HydrophobicContact CD1-CD2 4.14Å; I177-F182 HydrophobicContact CD1-CG 4.41Å; I177-F182 HydrophobicContact CG1-CD2 4.13Å; I177-F182 HydrophobicContact CG2-CE2 4.47Å; R180-F182 HydrophobicContact CB-CD2 4.4Å; R180-F182 HydrophobicContact CB-CE2 3.83Å; F182-L184 HydrophobicContact CB-CD2 4.24Å; F182-I192 CarbonylContact C-O 3.52Å; F182-I192 VanDerWaalsContact CA-O 3.28Å; F182-I192 WeakPolarHBondContact CA-O 3.32Å; F182-D193 HydrophobicContact CD1-CB 4.08Å; F182-D193 HydrophobicContact CE1-CB 3.65Å; F182-D193 HydrophobicContact CZ-CB 4.19Å
183E96.8Very high94.2Very high5 Ų536.7 Ų36.72%0.02319%0.186CC..EExtended strand (participates in β ladder)trans-100.8120.4162.8180-170.8147.800109.9V172 S173 Y174 K188 I192 H194 R214V172-E183 HydrophobicContact CB-CG 4.49Å; S173-E183 CarbonylContact O-C 3.48Å; S173-E183 WeakPolarHBondContact O-CA 3.14Å; Y174-E183 HydrophobicContact CD1-CB 3.95Å; Y174-E183 HydrophobicContact CD1-CG 4.31Å; Y174-E183 HydrophobicContact CE1-CB 3.65Å; Y174-E183 HydrophobicContact CE1-CG 3.76Å; Y174-E183 PolarHBondContact OH-OE2 2.75Å; E183-K188 IonicContact OE1-NZ 3.61Å; E183-K188 PolarHBondContact OE1-NZ 3.28Å; E183-K188 IonicContact OE2-NZ 2.65Å; E183-I192 HydrophobicContact CB-CB 4.25Å; E183-I192 PolarHBondContact N-O 3.12Å; E183-I192 PolarHBondContact O-N 3.2Å; E183-H194 WeakPolarHBondContact CB-NE2 3.46Å; E183-H194 IonicContact OE2-CE1 3.14Å; E183-H194 IonicContact OE2-NE2 2.76Å; E183-H194 PolarHBondContact OE2-NE2 3.12Å; E183-R214 IonicContact OE1-CZ 3.34Å; E183-R214 IonicContact OE1-NH1 3.43Å; E183-R214 PolarHBondContact OE1-NH1 3.24Å; E183-R214 IonicContact OE1-NH2 2.73Å; E183-R214 IonicContact OE2-NH1 3.39Å; E183-R214 PolarHBondContact OE2-NH1 3.29Å
184L96.6Very high94Very high3 Ų339.1 Ų39.12%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-107.7106.6179.4-54.1-177000109M81 F83 N103 S173 V175 F182 P191M81-L184 HydrophobicContact SD-CD2 4.18Å; F83-L184 HydrophobicContact CB-CD2 4.28Å; F83-L184 HydrophobicContact CD2-CB 4.17Å; F83-L184 HydrophobicContact CD2-CD2 3.91Å; F83-L184 HydrophobicContact CG-CD2 4.37Å; N103-L184 VanDerWaalsContact ND2-CD1 3.31Å; N103-L184 WeakPolarHBondContact ND2-CD1 3.42Å; S173-L184 PolarHBondContact N-O 3.22Å; S173-L184 PolarHBondContact O-N 3.25Å; V175-L184 HydrophobicContact CG2-CD1 3.67Å; V175-L184 HydrophobicContact CG2-CG 4.05Å; F182-L184 HydrophobicContact CB-CD2 4.24Å; L184-P191 HydrophobicContact CD2-CB 3.54Å
185D94.9Very high93.8Very high1 Ų139.6 Ų39.61%0.00520%0.202CC..  trans-117.2109.5177.9178.4-13.4000108.8R58 F83 H170 V172 L187 K188R58-D185 IonicContact NH2-OD2 2.78Å; F83-D185 WeakPolarHBondContact CE2-O 3.38Å; H170-D185 IonicContact CD2-OD1 3.66Å; H170-D185 IonicContact CE1-OD1 2.74Å; H170-D185 IonicContact NE2-OD1 3.78Å; H170-D185 PolarHBondContact NE2-OD1 2.77Å; V172-D185 HydrophobicContact CB-CB 4.32Å; V172-D185 HydrophobicContact CG1-CB 3.52Å; V172-D185 VanDerWaalsContact CG1-CG 3.47Å; D185-L187 PolarHBondContact O-N 3.35Å; D185-L187 WeakPolarHBondContact OD1-CA 3.11Å; D185-L187 WeakPolarHBondContact OD1-CB 3.22Å; D185-L187 PolarHBondContact OD1-N 2.85Å; D185-K188 HydrophobicContact CB-CB 4.21Å; D185-K188 HydrophobicContact CB-CD 3.75Å; D185-K188 HydrophobicContact CB-CG 3.84Å; D185-K188 PolarHBondContact O-N 2.85Å; D185-K188 VanDerWaalsContact OD2-CE 3.22Å; D185-K188 WeakPolarHBondContact OD2-CE 3.33Å; D185-K188 WeakPolarHBondContact OD2-CG 3.37Å
186G93.4Very high93.7Very high14 Ų1443 Ų4314%0.14422%0.224CC..THydrogen-bonded Turntrans-63.6-9.3-178.500000115Q86Q86-G186 PolarHBondContact N-O 3.23Å
187L91.1Very high93.6Very high67 Ų6744 Ų4435%0.35122%0.223SC..THydrogen-bonded Turntrans-105.414.7173.8-58.3179.8000112.9Q86 H170 D185Q86-L187 HydrophobicContact CB-CD2 4.22Å; H170-L187 VanDerWaalsContact CE1-CD1 3.49Å; H170-L187 WeakPolarHBondContact CE1-CD1 3.15Å; D185-L187 PolarHBondContact O-N 3.35Å; D185-L187 WeakPolarHBondContact OD1-CA 3.11Å; D185-L187 WeakPolarHBondContact OD1-CB 3.22Å; D185-L187 PolarHBondContact OD1-N 2.85Å
188K90.6Very high93.3Very high51 Ų5144.5 Ų44.522%0.22223%0.234CC..SBendtrans-107.1153.3165.1-70.7179.1-169.4165.30110.1H85 E183 D185 Y190 I192H85-K188 PolarHBondContact CD2-O 2.89Å; H85-K188 VanDerWaalsContact CD2-O 3.29Å; H85-K188 PolarHBondContact NE2-O 2.94Å; E183-K188 IonicContact OE1-NZ 3.61Å; E183-K188 PolarHBondContact OE1-NZ 3.28Å; E183-K188 IonicContact OE2-NZ 2.65Å; D185-K188 HydrophobicContact CB-CB 4.21Å; D185-K188 HydrophobicContact CB-CD 3.75Å; D185-K188 HydrophobicContact CB-CG 3.84Å; D185-K188 PolarHBondContact O-N 2.85Å; D185-K188 VanDerWaalsContact OD2-CE 3.22Å; D185-K188 WeakPolarHBondContact OD2-CE 3.33Å; D185-K188 WeakPolarHBondContact OD2-CG 3.37Å; K188-Y190 VanDerWaalsContact C-N 3.34Å; K188-I192 HydrophobicContact CD-CD1 4.06Å; K188-I192 HydrophobicContact CD-CG1 4.39Å
189A89.5Confident93Very high61 Ų6147.2 Ų47.250%0.50425%0.249SC..SBendtrans-68-35.3175.900000112.5H85H85-A189 PolarHBondContact NE2-O 3.12Å
190Y93.3Very high92.7Very high87 Ų8749.8 Ų49.834%0.34126%0.263SS..SBendtrans-130.6151.9-173.4-57.4-68.6000110.6V67 V72 I73 K188V67-Y190 HydrophobicContact CG1-CD2 4.32Å; V67-Y190 HydrophobicContact CG2-CE2 4.25Å; V72-Y190 WeakPolarHBondContact O-CD1 3.36Å; I73-Y190 HydrophobicContact CG2-CE1 4Å; K188-Y190 VanDerWaalsContact C-N 3.34Å
191P94.9Very high92.4Very high0 Ų047.2 Ų47.20%026%0.255CS..  trans-72153.1168.233.5-32.8000110V72 V78 M81 F83 L184V72-P191 HydrophobicContact CB-CG 4.34Å; V72-P191 PolarHBondContact N-O 3.03Å; V78-P191 HydrophobicContact CG2-CG 3.9Å; M81-P191 HydrophobicContact CE-CG 4.14Å; M81-P191 HydrophobicContact SD-CB 4Å; M81-P191 HydrophobicContact SD-CG 3.73Å; F83-P191 HydrophobicContact CD1-CB 4.27Å; F83-P191 HydrophobicContact CD1-CG 4.11Å; F83-P191 HydrophobicContact CD2-CB 4.22Å; F83-P191 HydrophobicContact CG-CB 4.1Å; F83-P191 HydrophobicContact CG-CG 4.29Å; L184-P191 HydrophobicContact CD2-CB 3.54Å
192I93.6Very high92.2Very high15 Ų1551.6 Ų51.68%0.07728%0.276CS..EExtended strand (participates in β ladder)trans-105.4127.5178.2-68.8-172000109.7T70 F182 E183 K188T70-I192 WeakPolarHBondContact OG1-CG2 3.47Å; F182-I192 CarbonylContact C-O 3.52Å; F182-I192 VanDerWaalsContact CA-O 3.28Å; F182-I192 WeakPolarHBondContact CA-O 3.32Å; E183-I192 HydrophobicContact CB-CB 4.25Å; E183-I192 PolarHBondContact N-O 3.12Å; E183-I192 PolarHBondContact O-N 3.2Å; K188-I192 HydrophobicContact CD-CD1 4.06Å; K188-I192 HydrophobicContact CD-CG1 4.39Å
193D95.1Very high92Very high26 Ų2652.6 Ų52.614%0.13928%0.279CS..EExtended strand (participates in β ladder)trans-97110174.117914.2000109.6T70 V72 R180 F182 G195T70-D193 PolarHBondContact O-N 2.84Å; V72-D193 HydrophobicContact CG2-CB 3.71Å; R180-D193 IonicContact CZ-OD1 2.72Å; R180-D193 IonicContact CZ-OD2 3.33Å; R180-D193 IonicContact NE-OD1 2.75Å; R180-D193 PolarHBondContact NE-OD1 3.12Å; R180-D193 IonicContact NE-OD2 3.5Å; R180-D193 PolarHBondContact NE-OD2 2.85Å; R180-D193 IonicContact NH2-OD1 2.86Å; R180-D193 IonicContact NH2-OD2 2.73Å; R180-D193 PolarHBondContact NH2-OD2 3.21Å; F182-D193 HydrophobicContact CD1-CB 4.08Å; F182-D193 HydrophobicContact CE1-CB 3.65Å; F182-D193 HydrophobicContact CZ-CB 4.19Å; D193-G195 PolarHBondContact O-N 3.2Å; D193-G195 VanDerWaalsContact OD1-CA 3.24Å; D193-G195 WeakPolarHBondContact OD1-CA 3.17Å; D193-G195 PolarHBondContact OD1-N 3.33Å
194H93.4Very high91.9Very high52 Ų5252.5 Ų52.524%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-79.7-4.5174.1-68-84.6000111.9Y174 L181 E183 K206 V210Y174-H194 AromaticContact CE1-NE2 3.97Å; L181-H194 HydrophobicContact CB-CB 4.24Å; L181-H194 HydrophobicContact CD2-CB 4.08Å; L181-H194 HydrophobicContact CG-CB 4.18Å; L181-H194 WeakPolarHBondContact O-CB 3.4Å; L181-H194 PolarHBondContact O-N 2.72Å; E183-H194 WeakPolarHBondContact CB-NE2 3.46Å; E183-H194 IonicContact OE2-CE1 3.14Å; E183-H194 IonicContact OE2-NE2 2.76Å; E183-H194 PolarHBondContact OE2-NE2 3.12Å; H194-K206 WeakPolarHBondContact O-CE 3.44Å; H194-K206 PolarHBondContact O-NZ 2.73Å; H194-V210 HydrophobicContact CB-CG2 4.25Å; H194-V210 VanDerWaalsContact CE1-CG1 3.41Å; H194-V210 WeakPolarHBondContact CE1-CG1 3.29Å
195G93.4Very high91.6Very high9 Ų953 Ų539%0.09328%0.281CS..EExtended strand (participates in β ladder)trans88.4-174178.800000114.5L181 D193 K206L181-G195 PolarHBondContact N-O 3.29Å; D193-G195 PolarHBondContact O-N 3.2Å; D193-G195 VanDerWaalsContact OD1-CA 3.24Å; D193-G195 WeakPolarHBondContact OD1-CA 3.17Å; D193-G195 PolarHBondContact OD1-N 3.33Å; G195-K206 PolarHBondContact O-NZ 2.86Å
196P93.9Very high91.6Very high74 Ų7454 Ų5448%0.48129%0.286SS..EExtended strand (participates in β ladder)trans-75.1156.4178.533.3-35.6000113.1D179 K206D179-P196 VanDerWaalsContact O-CA 3.29Å; D179-P196 WeakPolarHBondContact O-CA 3.19Å; D179-P196 WeakPolarHBondContact O-CB 3.49Å; P196-K206 PolarHBondContact O-NZ 3.5Å
197W93Very high91.6Very high57 Ų5753.3 Ų53.322%0.21628%0.279CS..PPolyproline II helixtrans-87.5172.2168.450.786.8000111.1P176 D179 W203 K206P176-W197 HydrophobicContact CB-CH2 3.68Å; P176-W197 HydrophobicContact CB-CZ3 3.98Å; D179-W197 VanDerWaalsContact CA-CH2 3.47Å; D179-W197 HydrophobicContact CB-CH2 4.49Å; D179-W197 HydrophobicContact CB-CZ2 4.26Å; W197-W203 HydrophobicContact CD2-CB 3.56Å; W197-W203 HydrophobicContact CE3-CB 3.36Å; W197-W203 HydrophobicContact CG-CB 4.37Å; W197-W203 HydrophobicContact CH2-CB 3.58Å; W197-W203 HydrophobicContact CH2-CG 4.42Å; W197-W203 HydrophobicContact CZ2-CB 3.79Å; W197-W203 HydrophobicContact CZ3-CB 3.36Å; W197-W203 HydrophobicContact CZ3-CG 4.43Å; W197-K206 HydrophobicContact CB-CB 4.02Å; W197-K206 HydrophobicContact CB-CD 3.98Å
198G88.5Confident91.6Very high35 Ų3551.7 Ų51.736%0.36127%0.268SS..PPolyproline II helixtrans-71.8156.6177.400000113D200 E201G198-D200 VanDerWaalsContact C-N 3.29Å; G198-D200 PolarHBondContact O-N 3.06Å; G198-E201 PolarHBondContact N-OE2 3.41Å; G198-E201 WeakPolarHBondContact O-CB 3.46Å; G198-E201 PolarHBondContact O-N 3.33Å
199E83.4Confident91.5Very high204 Ų20455.3 Ų55.395%0.95328%0.28SS*.THydrogen-bonded Turntrans-62.9-34.9179.7-63.4178.7177.400112.4E201E199-E201 VanDerWaalsContact C-N 3.33Å
200D85.3Confident91.6Very high176 Ų17653.4 Ų53.494%0.94126%0.262SS*.THydrogen-bonded Turntrans-87.810.8172.9-60.2-60.1000113.8G198G198-D200 VanDerWaalsContact C-N 3.29Å; G198-D200 PolarHBondContact O-N 3.06Å
201E87.9Confident91.4Very high44 Ų4449.3 Ų49.321%0.20625%0.246CC..SBendtrans-118.8144.4-171.9-162.1-170.1-166.600112.2G198 E199 D205 K206 R209G198-E201 PolarHBondContact N-OE2 3.41Å; G198-E201 WeakPolarHBondContact O-CB 3.46Å; G198-E201 PolarHBondContact O-N 3.33Å; E199-E201 VanDerWaalsContact C-N 3.33Å; E201-D205 HydrophobicContact CG-CB 3.78Å; E201-D205 WeakPolarHBondContact OE1-CB 3.24Å; E201-K206 PolarHBondContact OE1-N 3.17Å; E201-R209 IonicContact OE1-CZ 3.56Å; E201-R209 IonicContact OE1-NE 3.58Å; E201-R209 PolarHBondContact OE1-NE 3.38Å; E201-R209 IonicContact OE1-NH2 3.95Å; E201-R209 PolarHBondContact OE1-NH2 3.24Å; E201-R209 IonicContact OE2-CZ 2.66Å; E201-R209 IonicContact OE2-NH2 3.45Å; E201-R209 PolarHBondContact OE2-NH2 3.5Å
202E90.4Very high91.1Very high92 Ų9251.2 Ų51.243%0.4326%0.256SS..  trans-82.3148.3165.8-71.4-179.7-149.600111.7T204 D205 K206E202-T204 WeakPolarHBondContact CB-OG1 3.19Å; E202-T204 PolarHBondContact O-N 3.47Å; E202-T204 PolarHBondContact OE2-OG1 3.01Å; E202-D205 PolarHBondContact O-N 3.1Å; E202-K206 PolarHBondContact O-N 2.91Å
203W93.5Very high90.6Very high32 Ų3256.9 Ų56.912%0.12128%0.282CS..Hα-helixtrans-54.2-29.7171.683.4-97000112.8V44 F47 P176 L181 W197 K206 A207V44-W203 HydrophobicContact CB-CH2 4.45Å; V44-W203 HydrophobicContact CB-CZ2 3.77Å; V44-W203 HydrophobicContact CG1-CH2 4.02Å; V44-W203 HydrophobicContact CG1-CZ2 3.79Å; V44-W203 WeakPolarHBondContact O-CZ2 3.38Å; F47-W203 AromaticContact CD2-CH2 3.47Å; F47-W203 HydrophobicContact CD2-CH2 3.47Å; F47-W203 VanDerWaalsContact CD2-CH2 3.47Å; F47-W203 AromaticContact CD2-CZ3 3.61Å; F47-W203 HydrophobicContact CD2-CZ3 3.61Å; F47-W203 AromaticContact CE2-CH2 3.44Å; F47-W203 HydrophobicContact CE2-CH2 3.44Å; F47-W203 VanDerWaalsContact CE2-CH2 3.44Å; F47-W203 HydrophobicContact CE2-CZ2 4.28Å; F47-W203 AromaticContact CE2-CZ3 3.63Å; F47-W203 HydrophobicContact CE2-CZ3 3.63Å; F47-W203 HydrophobicContact CZ-CH2 4.47Å; P176-W203 HydrophobicContact CB-CB 4.24Å; P176-W203 HydrophobicContact CB-CD2 3.95Å; P176-W203 HydrophobicContact CB-CE3 4.38Å; P176-W203 HydrophobicContact CB-CG 3.87Å; P176-W203 HydrophobicContact CG-CD2 3.84Å; P176-W203 HydrophobicContact CG-CE3 4.34Å; P176-W203 HydrophobicContact CG-CG 4.11Å; P176-W203 HydrophobicContact CG-CZ2 4.2Å; L181-W203 HydrophobicContact CD1-CE3 4.06Å; L181-W203 HydrophobicContact CD1-CZ3 4.25Å; W197-W203 HydrophobicContact CD2-CB 3.56Å; W197-W203 HydrophobicContact CE3-CB 3.36Å; W197-W203 HydrophobicContact CG-CB 4.37Å; W197-W203 HydrophobicContact CH2-CB 3.58Å; W197-W203 HydrophobicContact CH2-CG 4.42Å; W197-W203 HydrophobicContact CZ2-CB 3.79Å; W197-W203 HydrophobicContact CZ3-CB 3.36Å; W197-W203 HydrophobicContact CZ3-CG 4.43Å; W203-K206 PolarHBondContact O-N 3.27Å; W203-A207 HydrophobicContact CE3-CB 4.01Å; W203-A207 HydrophobicContact CZ3-CB 3.8Å; W203-A207 WeakPolarHBondContact O-CB 3.3Å; W203-A207 PolarHBondContact O-N 3.27Å
204T93.7Very high90Very high2 Ų259.8 Ų59.81%0.01229%0.291CS..Hα-helixtrans-62.8-43.9177.9570000111.8V44 E202 A207 R208V44-T204 HydrophobicContact CB-CG2 4.22Å; V44-T204 HydrophobicContact CG2-CG2 4.24Å; E202-T204 WeakPolarHBondContact CB-OG1 3.19Å; E202-T204 PolarHBondContact O-N 3.47Å; E202-T204 PolarHBondContact OE2-OG1 3.01Å; T204-A207 PolarHBondContact O-N 2.92Å; T204-R208 WeakPolarHBondContact O-CB 3.43Å; T204-R208 WeakPolarHBondContact O-CD 3.43Å; T204-R208 WeakPolarHBondContact O-CG 3.4Å; T204-R208 PolarHBondContact O-N 3.45Å
205D91.7Very high89.3Confident13 Ų1358.9 Ų58.97%0.0729%0.288CS..Hα-helixtrans-64.5-41176.6-70.9-37.8000111.1K39 E201 E202 R208 R209K39-D205 WeakPolarHBondContact CE-OD1 3.27Å; K39-D205 VanDerWaalsContact CE-OD2 3.27Å; K39-D205 WeakPolarHBondContact CE-OD2 3.22Å; K39-D205 IonicContact NZ-OD1 3.88Å; K39-D205 IonicContact NZ-OD2 3.52Å; K39-D205 PolarHBondContact NZ-OD2 3.46Å; E201-D205 HydrophobicContact CG-CB 3.78Å; E201-D205 WeakPolarHBondContact OE1-CB 3.24Å; E202-D205 PolarHBondContact O-N 3.1Å; D205-R208 PolarHBondContact O-N 3.47Å; D205-R208 IonicContact OD1-CZ 2.75Å; D205-R208 IonicContact OD1-NH1 3.49Å; D205-R208 PolarHBondContact OD1-NH1 2.95Å; D205-R209 WeakPolarHBondContact O-CG 3.35Å; D205-R209 PolarHBondContact O-N 2.9Å
206K93.1Very high88.2Confident22 Ų2259.9 Ų59.910%0.09630%0.298CS..Hα-helixtrans-64.1-44.5174.1-173.8174-177.9177.30112.5L181 H194 G195 P196 W197 E201 E202 W203 R208 R209 V210L181-K206 HydrophobicContact CB-CD 4.36Å; L181-K206 HydrophobicContact CD2-CB 4.45Å; L181-K206 HydrophobicContact CD2-CD 4.3Å; L181-K206 HydrophobicContact CD2-CG 3.91Å; H194-K206 WeakPolarHBondContact O-CE 3.44Å; H194-K206 PolarHBondContact O-NZ 2.73Å; G195-K206 PolarHBondContact O-NZ 2.86Å; P196-K206 PolarHBondContact O-NZ 3.5Å; W197-K206 HydrophobicContact CB-CB 4.02Å; W197-K206 HydrophobicContact CB-CD 3.98Å; E201-K206 PolarHBondContact OE1-N 3.17Å; E202-K206 PolarHBondContact O-N 2.91Å; W203-K206 PolarHBondContact O-N 3.27Å; K206-R208 VanDerWaalsContact C-N 3.33Å; K206-R208 PolarHBondContact O-N 2.99Å; K206-R209 WeakPolarHBondContact O-CB 3.29Å; K206-R209 PolarHBondContact O-N 3.41Å; K206-R209 VanDerWaalsContact O-N 3.15Å; K206-V210 PolarHBondContact O-N 2.79Å
207A93.9Very high86.4Confident0 Ų061 Ų610%030%0.3CS..Hα-helixtrans-60.5-43177.300000111.6F47 L181 W203 T204 R209 V210 I211F47-A207 HydrophobicContact CD2-CB 3.88Å; F47-A207 HydrophobicContact CE2-CB 3.82Å; L181-A207 HydrophobicContact CD1-CB 4.01Å; L181-A207 HydrophobicContact CD2-CB 4.07Å; W203-A207 HydrophobicContact CE3-CB 4.01Å; W203-A207 HydrophobicContact CZ3-CB 3.8Å; W203-A207 WeakPolarHBondContact O-CB 3.3Å; W203-A207 PolarHBondContact O-N 3.27Å; T204-A207 PolarHBondContact O-N 2.92Å; A207-R209 VanDerWaalsContact C-N 3.35Å; A207-R209 PolarHBondContact O-N 3.19Å; A207-V210 PolarHBondContact O-N 3.03Å; A207-I211 WeakPolarHBondContact O-CB 3.4Å; A207-I211 WeakPolarHBondContact O-CD1 3.47Å; A207-I211 VanDerWaalsContact O-CG1 3.25Å; A207-I211 WeakPolarHBondContact O-CG1 3.25Å; A207-I211 PolarHBondContact O-N 3.11Å
208R90.9Very high84.1Confident33 Ų3361.7 Ų61.713%0.12532%0.317CS..Hα-helixtrans-57.5-44.1172.7-70.7163.856.7-110.6-15.1111.9L36 Q37 S38 T204 D205 K206 I211 M212L36-R208 HydrophobicContact CD2-CB 4.44Å; L36-R208 HydrophobicContact CD2-CG 4.34Å; L36-R208 VanDerWaalsContact O-CZ 3.25Å; L36-R208 PolarHBondContact O-NE 2.75Å; L36-R208 PolarHBondContact O-NH2 3.49Å; Q37-R208 PolarHBondContact O-NH2 3.49Å; Q37-R208 VanDerWaalsContact O-NH2 3.09Å; S38-R208 PolarHBondContact O-NE 3.21Å; S38-R208 VanDerWaalsContact O-NE 3.13Å; T204-R208 WeakPolarHBondContact O-CB 3.43Å; T204-R208 WeakPolarHBondContact O-CD 3.43Å; T204-R208 WeakPolarHBondContact O-CG 3.4Å; T204-R208 PolarHBondContact O-N 3.45Å; D205-R208 PolarHBondContact O-N 3.47Å; D205-R208 IonicContact OD1-CZ 2.75Å; D205-R208 IonicContact OD1-NH1 3.49Å; D205-R208 PolarHBondContact OD1-NH1 2.95Å; K206-R208 VanDerWaalsContact C-N 3.33Å; K206-R208 PolarHBondContact O-N 2.99Å; R208-I211 PolarHBondContact O-N 3.1Å; R208-M212 HydrophobicContact CB-CE 4.24Å; R208-M212 WeakPolarHBondContact O-CB 3.29Å; R208-M212 WeakPolarHBondContact O-CE 3.48Å; R208-M212 VanDerWaalsContact O-CG 3.31Å; R208-M212 WeakPolarHBondContact O-CG 3.49Å; R208-M212 PolarHBondContact O-N 3.29Å
209R89.7Confident81.8Confident127 Ų12764.4 Ų64.448%0.47933%0.327SS..Hα-helixtrans-59.8-49.5177.2-70.4-176.5-64.3122-8.1112E201 D205 K206 A207 I211 M212 E213E201-R209 IonicContact OE1-CZ 3.56Å; E201-R209 IonicContact OE1-NE 3.58Å; E201-R209 PolarHBondContact OE1-NE 3.38Å; E201-R209 IonicContact OE1-NH2 3.95Å; E201-R209 PolarHBondContact OE1-NH2 3.24Å; E201-R209 IonicContact OE2-CZ 2.66Å; E201-R209 IonicContact OE2-NH2 3.45Å; E201-R209 PolarHBondContact OE2-NH2 3.5Å; D205-R209 WeakPolarHBondContact O-CG 3.35Å; D205-R209 PolarHBondContact O-N 2.9Å; K206-R209 WeakPolarHBondContact O-CB 3.29Å; K206-R209 PolarHBondContact O-N 3.41Å; K206-R209 VanDerWaalsContact O-N 3.15Å; A207-R209 VanDerWaalsContact C-N 3.35Å; A207-R209 PolarHBondContact O-N 3.19Å; R209-I211 PolarHBondContact O-N 3.12Å; R209-M212 PolarHBondContact O-N 3.34Å; R209-E213 PolarHBondContact O-N 3.01Å
210V91Very high80Confident21 Ų2160.3 Ų60.313%0.12733%0.327CS..Hα-helixtrans-59.9-43.1176.9171.10000112Y174 L181 H194 K206 A207 E213 R214Y174-V210 HydrophobicContact CE1-CG1 3.86Å; L181-V210 HydrophobicContact CD2-CG2 4Å; H194-V210 HydrophobicContact CB-CG2 4.25Å; H194-V210 VanDerWaalsContact CE1-CG1 3.41Å; H194-V210 WeakPolarHBondContact CE1-CG1 3.29Å; K206-V210 PolarHBondContact O-N 2.79Å; A207-V210 PolarHBondContact O-N 3.03Å; V210-E213 PolarHBondContact O-N 2.86Å; V210-R214 WeakPolarHBondContact O-CB 3.28Å; V210-R214 PolarHBondContact O-N 3.04Å
211I90Very high78Confident1 Ų154.1 Ų54.11%0.00531%0.305CS..Hα-helixtrans-69.6-40.8-179.7-67.5164.5000111.2L36 F49 Y174 A207 R208 R209 E213 R214 I215 L231L36-I211 HydrophobicContact CD1-CG2 4.37Å; L36-I211 HydrophobicContact CD2-CB 4.47Å; L36-I211 HydrophobicContact CD2-CG2 4.08Å; F49-I211 HydrophobicContact CD2-CG2 4.2Å; F49-I211 HydrophobicContact CE2-CG2 4.16Å; Y174-I211 HydrophobicContact CD2-CD1 3.78Å; Y174-I211 HydrophobicContact CD2-CG1 4.03Å; Y174-I211 HydrophobicContact CE2-CD1 3.95Å; Y174-I211 HydrophobicContact CE2-CG1 3.7Å; Y174-I211 HydrophobicContact CG-CD1 4.3Å; A207-I211 WeakPolarHBondContact O-CB 3.4Å; A207-I211 WeakPolarHBondContact O-CD1 3.47Å; A207-I211 VanDerWaalsContact O-CG1 3.25Å; A207-I211 WeakPolarHBondContact O-CG1 3.25Å; A207-I211 PolarHBondContact O-N 3.11Å; R208-I211 PolarHBondContact O-N 3.1Å; R209-I211 PolarHBondContact O-N 3.12Å; I211-E213 VanDerWaalsContact C-N 3.35Å; I211-E213 PolarHBondContact O-N 2.98Å; I211-R214 PolarHBondContact O-N 2.71Å; I211-I215 HydrophobicContact CG2-CD1 3.64Å; I211-I215 HydrophobicContact CG2-CG1 4.41Å; I211-I215 VanDerWaalsContact O-CG1 3.27Å; I211-I215 WeakPolarHBondContact O-CG1 3.41Å; I211-I215 PolarHBondContact O-N 3.04Å; I211-L231 HydrophobicContact CD1-CD1 3.94Å; I211-L231 HydrophobicContact CD1-CD2 4.49Å; I211-L231 HydrophobicContact CG2-CD2 4.37Å
212M86.9Confident76Confident40 Ų4059.5 Ų59.520%0.19733%0.33CS..Hα-helixtrans-63.4-38.3175-75.5-173.4-71.700112.5L36 R208 R209 G216 L217L36-M212 HydrophobicContact CB-CG 4.04Å; L36-M212 HydrophobicContact CB-SD 4.16Å; L36-M212 HydrophobicContact CD1-CG 4.14Å; L36-M212 HydrophobicContact CD2-CG 4.23Å; L36-M212 HydrophobicContact CG-CG 4.38Å; R208-M212 HydrophobicContact CB-CE 4.24Å; R208-M212 WeakPolarHBondContact O-CB 3.29Å; R208-M212 WeakPolarHBondContact O-CE 3.48Å; R208-M212 VanDerWaalsContact O-CG 3.31Å; R208-M212 WeakPolarHBondContact O-CG 3.49Å; R208-M212 PolarHBondContact O-N 3.29Å; R209-M212 PolarHBondContact O-N 3.34Å; M212-G216 PolarHBondContact O-N 2.86Å; M212-L217 HydrophobicContact CB-CB 4.27Å; M212-L217 HydrophobicContact CB-CD1 4.46Å; M212-L217 HydrophobicContact CG-CD1 4.1Å; M212-L217 WeakPolarHBondContact O-CB 3.48Å; M212-L217 PolarHBondContact O-N 3.28Å
213E84.3Confident73.8Confident134 Ų13459.8 Ų59.863%0.62634%0.34SS*.Hα-helixtrans-62.9-47.3172.6-173.7176.8175.700111.3R209 V210 I211 I215 G216 A218R209-E213 PolarHBondContact O-N 3.01Å; V210-E213 PolarHBondContact O-N 2.86Å; I211-E213 VanDerWaalsContact C-N 3.35Å; I211-E213 PolarHBondContact O-N 2.98Å; E213-I215 VanDerWaalsContact C-N 3.33Å; E213-I215 PolarHBondContact O-N 3.07Å; E213-G216 WeakPolarHBondContact O-CA 3.38Å; E213-G216 PolarHBondContact O-N 2.84Å; E213-A218 HydrophobicContact CB-CB 4.22Å; E213-A218 HydrophobicContact CG-CB 4.39Å
214R82.3Confident71.7Confident87 Ų8768.2 Ų68.233%0.32837%0.374SS..Hα-helixtrans-60.6-36.1178.2-174.6-175.9-174.4120.9-8.6113.8F49 F51 Y174 E183 V210 I211F49-R214 HydrophobicContact CE1-CG 4.47Å; F51-R214 VanDerWaalsContact CZ-NH2 3.27Å; Y174-R214 WeakPolarHBondContact OH-CD 3.05Å; Y174-R214 PolarHBondContact OH-NH1 2.88Å; E183-R214 IonicContact OE1-CZ 3.34Å; E183-R214 IonicContact OE1-NH1 3.43Å; E183-R214 PolarHBondContact OE1-NH1 3.24Å; E183-R214 IonicContact OE1-NH2 2.73Å; E183-R214 IonicContact OE2-NH1 3.39Å; E183-R214 PolarHBondContact OE2-NH1 3.29Å; V210-R214 WeakPolarHBondContact O-CB 3.28Å; V210-R214 PolarHBondContact O-N 3.04Å; I211-R214 PolarHBondContact O-N 2.71Å
215I79.3Confident70Confident34 Ų3474.2 Ų74.217%0.17440%0.401CS..Hα-helixtrans-75.4-15.6175.9-64.8164.5000111.3L36 F49 I211 E213 L217 F229L36-I215 HydrophobicContact CD1-CD1 3.72Å; F49-I215 HydrophobicContact CE2-CD1 3.88Å; F49-I215 HydrophobicContact CE2-CG1 4.1Å; F49-I215 HydrophobicContact CZ-CD1 4.13Å; F49-I215 HydrophobicContact CZ-CG1 3.8Å; I211-I215 HydrophobicContact CG2-CD1 3.64Å; I211-I215 HydrophobicContact CG2-CG1 4.41Å; I211-I215 VanDerWaalsContact O-CG1 3.27Å; I211-I215 WeakPolarHBondContact O-CG1 3.41Å; I211-I215 PolarHBondContact O-N 3.04Å; E213-I215 VanDerWaalsContact C-N 3.33Å; E213-I215 PolarHBondContact O-N 3.07Å; I215-L217 HydrophobicContact CB-CD1 4.45Å; I215-L217 HydrophobicContact CB-CG 4.42Å; I215-L217 HydrophobicContact CG2-CD1 4.1Å; I215-L217 HydrophobicContact CG2-CG 3.98Å; I215-F229 HydrophobicContact CD1-CD2 4.04Å; I215-F229 HydrophobicContact CD1-CE1 4.38Å; I215-F229 HydrophobicContact CD1-CE2 3.86Å; I215-F229 HydrophobicContact CD1-CG 4.4Å; I215-F229 HydrophobicContact CD1-CZ 4.04Å; I215-F229 HydrophobicContact CG1-CD1 4.47Å; I215-F229 HydrophobicContact CG2-CD1 4.16Å; I215-F229 HydrophobicContact CG2-CE1 3.63Å; I215-F229 HydrophobicContact CG2-CZ 4.03Å
216G68.9Low68.7Low30 Ų3076.5 Ų76.531%0.30941%0.413SS..THydrogen-bonded Turntrans913.2-178.800000114.4M212 E213 A218 T219M212-G216 PolarHBondContact O-N 2.86Å; E213-G216 WeakPolarHBondContact O-CA 3.38Å; E213-G216 PolarHBondContact O-N 2.84Å; G216-A218 PolarHBondContact O-N 3.14Å; G216-T219 PolarHBondContact O-N 3.42Å; G216-T219 VanDerWaalsContact O-N 3.09Å
217L56.9Low67.7Low98 Ų9882.1 Ų82.151%0.51344%0.443SS..THydrogen-bonded Turntrans-64.3-22.8178.9-66.4168.7000112.9L36 M212 I215L36-L217 HydrophobicContact CD1-CD1 4.31Å; M212-L217 HydrophobicContact CB-CB 4.27Å; M212-L217 HydrophobicContact CB-CD1 4.46Å; M212-L217 HydrophobicContact CG-CD1 4.1Å; M212-L217 WeakPolarHBondContact O-CB 3.48Å; M212-L217 PolarHBondContact O-N 3.28Å; I215-L217 HydrophobicContact CB-CD1 4.45Å; I215-L217 HydrophobicContact CB-CG 4.42Å; I215-L217 HydrophobicContact CG2-CD1 4.1Å; I215-L217 HydrophobicContact CG2-CG 3.98Å
218A44.7Very low67.3Low70 Ų7086.6 Ų86.658%0.57946%0.46SS*.THydrogen-bonded Turntrans-77.8-19.2175.200000114E213 G216E213-A218 HydrophobicContact CB-CB 4.22Å; E213-A218 HydrophobicContact CG-CB 4.39Å; G216-A218 PolarHBondContact O-N 3.14Å
219T40.3Very low67.2Low93 Ų9388.6 Ų88.657%0.57147%0.47SS*.  trans-110.1102.4-167.7-56.70000110.8G216 G221G216-T219 PolarHBondContact O-N 3.42Å; G216-T219 VanDerWaalsContact O-N 3.09Å; T219-G221 PolarHBondContact O-N 2.82Å
220A44.3Very low67.4Low117 Ų11783.6 Ų83.697%0.96745%0.452SS*.  trans-73.738.7-176.800000114.8
221G43.3Very low67.6Low46 Ų4682.8 Ų82.847%0.47445%0.448SS..SBendtrans-150.9131.5-179.700000112.5T219T219-G221 PolarHBondContact O-N 2.82Å
222E45.9Very low67.9Low157 Ų15782.8 Ų82.873%0.73445%0.448SS*.  trans65.6101.8-176-61.4-53.5138.800116.7Y224E222-Y224 VanDerWaalsContact C-N 3.28Å; E222-Y224 PolarHBondContact O-N 2.68Å
223P45.7Very low68.3Low99 Ų9981 Ų8164%0.64344%0.439SS*.  trans-81.655.5-169.636-38.6000114.3H225P223-H225 WeakPolarHBondContact CB-ND1 3.48Å; P223-H225 PolarHBondContact O-N 2.76Å; P223-H225 PolarHBondContact O-ND1 2.98Å
224Y48.6Very low69Low208 Ų20874.6 Ų74.682%0.81641%0.409SS*.  trans-7858.5169.2-85.8-79.1000112.2E222 D226E222-Y224 VanDerWaalsContact C-N 3.28Å; E222-Y224 PolarHBondContact O-N 2.68Å; Y224-D226 VanDerWaalsContact C-N 3.29Å; Y224-D226 PolarHBondContact O-N 3.08Å
225H57.7Low69.6Low128 Ų12870.6 Ų70.659%0.59339%0.394SS*.  trans-72.578.3175.3-5796.3000110.7P223 I227P223-H225 WeakPolarHBondContact CB-ND1 3.48Å; P223-H225 PolarHBondContact O-N 2.76Å; P223-H225 PolarHBondContact O-ND1 2.98Å; H225-I227 PolarHBondContact O-N 3.14Å
226D64.6Low70.3Confident61 Ų6170.5 Ų70.533%0.32640%0.396SS..  trans-74.792168.7-161.9-20.8000109Y224 R228Y224-D226 VanDerWaalsContact C-N 3.29Å; Y224-D226 PolarHBondContact O-N 3.08Å; D226-R228 PolarHBondContact O-N 3.47Å; D226-R228 WeakPolarHBondContact OD1-CB 3.45Å; D226-R228 IonicContact OD1-CZ 2.76Å; D226-R228 PolarHBondContact OD1-N 3.41Å; D226-R228 IonicContact OD1-NE 3.89Å; D226-R228 PolarHBondContact OD1-NE 2.65Å; D226-R228 IonicContact OD1-NH2 2.68Å; D226-R228 PolarHBondContact OD1-NH2 2.85Å; D226-R228 IonicContact OD2-CZ 3.08Å; D226-R228 IonicContact OD2-NE 2.71Å; D226-R228 IonicContact OD2-NH2 3.77Å; D226-R228 PolarHBondContact OD2-NH2 3.19Å
227I71.9Confident71.5Confident141 Ų14169.3 Ų69.372%0.72338%0.382SS*.  trans-64.9-0.1-178.362.8172.6000114.1H225 F229H225-I227 PolarHBondContact O-N 3.14Å; I227-F229 PolarHBondContact O-N 3.27Å
228R85.2Confident73.2Confident93 Ų9368.2 Ų68.235%0.35137%0.371SS..  trans-85.766.5-180-59.9173.9-65.7-166.3-3110.7K52 E167 F169 D226K52-R228 PolarHBondContact N-O 3.02Å; E167-R228 IonicContact OE1-CZ 3.4Å; E167-R228 IonicContact OE1-NH1 2.78Å; E167-R228 PolarHBondContact OE1-NH1 3.07Å; E167-R228 IonicContact OE1-NH2 2.75Å; E167-R228 IonicContact OE2-CZ 3.48Å; E167-R228 IonicContact OE2-NH1 3.2Å; E167-R228 PolarHBondContact OE2-NH1 3.32Å; F169-R228 HydrophobicContact CE1-CB 3.88Å; F169-R228 HydrophobicContact CZ-CB 4.05Å; D226-R228 PolarHBondContact O-N 3.47Å; D226-R228 WeakPolarHBondContact OD1-CB 3.45Å; D226-R228 IonicContact OD1-CZ 2.76Å; D226-R228 PolarHBondContact OD1-N 3.41Å; D226-R228 IonicContact OD1-NE 3.89Å; D226-R228 PolarHBondContact OD1-NE 2.65Å; D226-R228 IonicContact OD1-NH2 2.68Å; D226-R228 PolarHBondContact OD1-NH2 2.85Å; D226-R228 IonicContact OD2-CZ 3.08Å; D226-R228 IonicContact OD2-NE 2.71Å; D226-R228 IonicContact OD2-NH2 3.77Å; D226-R228 PolarHBondContact OD2-NH2 3.19Å
229F89.5Confident75.5Confident75 Ų7567.6 Ų67.633%0.32935%0.354SS..EExtended strand (participates in β ladder)trans-129162.2166.662.4-95.7000109.8F49 L50 I215 I227F49-F229 HydrophobicContact CE2-CB 3.8Å; F49-F229 AromaticContact CE2-CD2 3.98Å; F49-F229 HydrophobicContact CE2-CD2 3.98Å; F49-F229 HydrophobicContact CE2-CG 4.13Å; F49-F229 HydrophobicContact CZ-CB 3.91Å; F49-F229 HydrophobicContact CZ-CG 4.43Å; L50-F229 CarbonylContact O-C 3.58Å; L50-F229 WeakPolarHBondContact O-CA 3.36Å; L50-F229 VanDerWaalsContact O-CB 3.27Å; L50-F229 WeakPolarHBondContact O-CB 3.24Å; I215-F229 HydrophobicContact CD1-CD2 4.04Å; I215-F229 HydrophobicContact CD1-CE1 4.38Å; I215-F229 HydrophobicContact CD1-CE2 3.86Å; I215-F229 HydrophobicContact CD1-CG 4.4Å; I215-F229 HydrophobicContact CD1-CZ 4.04Å; I215-F229 HydrophobicContact CG1-CD1 4.47Å; I215-F229 HydrophobicContact CG2-CD1 4.16Å; I215-F229 HydrophobicContact CG2-CE1 3.63Å; I215-F229 HydrophobicContact CG2-CZ 4.03Å; I227-F229 PolarHBondContact O-N 3.27Å
230N93.5Very high78Confident22 Ų2267.6 Ų67.612%0.11835%0.349CS..EExtended strand (participates in β ladder)trans-136.3146.1170.2-162.6-97.4000108.8S11 E32 F49 L50S11-N230 PolarHBondContact OG-OD1 3.22Å; E32-N230 PolarHBondContact OE1-ND2 2.86Å; F49-N230 WeakPolarHBondContact CD2-O 3.15Å; L50-N230 HydrophobicContact CB-CB 3.83Å; L50-N230 HydrophobicContact CD2-CB 4.18Å; L50-N230 PolarHBondContact N-O 3.45Å; L50-N230 PolarHBondContact O-N 3.08Å
231L95.1Very high80.1Confident5 Ų566.5 Ų66.53%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-131.7121.5176.7-18062.5000108.8I33 L36 F47 F49 I211I33-L231 HydrophobicContact CB-CB 4.33Å; I33-L231 HydrophobicContact CB-CD2 3.98Å; I33-L231 HydrophobicContact CB-CG 3.98Å; I33-L231 HydrophobicContact CG1-CG 4.31Å; I33-L231 HydrophobicContact CG2-CD2 3.95Å; I33-L231 PolarHBondContact N-O 3.33Å; L36-L231 HydrophobicContact CD2-CD2 3.6Å; L36-L231 HydrophobicContact CG-CD2 4.09Å; F47-L231 HydrophobicContact CB-CD1 3.93Å; F47-L231 HydrophobicContact CD1-CD1 4.18Å; F47-L231 HydrophobicContact CD1-CG 4.5Å; F47-L231 HydrophobicContact CG-CD1 4.34Å; F49-L231 HydrophobicContact CB-CD1 4.17Å; F49-L231 HydrophobicContact CD2-CB 4.37Å; F49-L231 HydrophobicContact CD2-CD1 4.14Å; I211-L231 HydrophobicContact CD1-CD1 3.94Å; I211-L231 HydrophobicContact CD1-CD2 4.49Å; I211-L231 HydrophobicContact CG2-CD2 4.37Å
232M96.7Very high82.5Confident1 Ų165.7 Ų65.71%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-117.7145.6174.5-71177.7-77.200110.7P13 F16 V30 E31 F47 I48 F171P13-M232 HydrophobicContact CB-SD 4.2Å; F16-M232 HydrophobicContact CD1-CE 4.23Å; F16-M232 HydrophobicContact CD2-CE 4.14Å; F16-M232 HydrophobicContact CD2-SD 4.38Å; F16-M232 HydrophobicContact CE1-CE 4.07Å; F16-M232 HydrophobicContact CE2-CE 3.98Å; F16-M232 HydrophobicContact CG-CE 4.26Å; F16-M232 HydrophobicContact CG-SD 4.29Å; F16-M232 HydrophobicContact CZ-CE 3.92Å; V30-M232 HydrophobicContact CG1-CB 3.68Å; V30-M232 HydrophobicContact CG1-CG 4.06Å; V30-M232 HydrophobicContact CG1-SD 3.7Å; E31-M232 CarbonylContact O-C 3.14Å; E31-M232 WeakPolarHBondContact O-CA 3.49Å; F47-M232 CarbonylContact C-O 3.6Å; F47-M232 VanDerWaalsContact CA-O 3.26Å; F47-M232 WeakPolarHBondContact CA-O 3.44Å; I48-M232 HydrophobicContact CB-CB 4.43Å; I48-M232 HydrophobicContact CG2-CE 4.26Å; I48-M232 PolarHBondContact N-O 2.86Å; I48-M232 PolarHBondContact O-N 3.01Å; F171-M232 HydrophobicContact CE1-CE 4.05Å
233A96.5Very high84.7Confident1 Ų162.5 Ų62.51%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-105135.616900000109.7V30 E31 I33 V44 F47 V235V30-A233 WeakPolarHBondContact CA-O 2.99Å; E31-A233 PolarHBondContact N-O 2.86Å; E31-A233 PolarHBondContact O-N 2.77Å; I33-A233 HydrophobicContact CD1-CB 3.86Å; I33-A233 HydrophobicContact CG1-CB 4Å; V44-A233 HydrophobicContact CG1-CB 3.99Å; F47-A233 HydrophobicContact CD1-CB 3.86Å; F47-A233 HydrophobicContact CE1-CB 3.83Å; A233-V235 HydrophobicContact CB-CG1 3.93Å
234V97.1Very high86.8Confident0 Ų061 Ų610%028%0.282CS..EExtended strand (participates in β ladder)trans-91.6118.1169.4-174.30000107.3V28 V30 Y45 G46 I48 L97 V100 L101V28-V234 HydrophobicContact CG1-CG1 3.45Å; V28-V234 VanDerWaalsContact CG1-CG1 3.45Å; V30-V234 HydrophobicContact CG2-CG2 4.34Å; Y45-V234 HydrophobicContact CD2-CG1 4.33Å; Y45-V234 PolarHBondContact N-O 3.04Å; G46-V234 PolarHBondContact O-N 3.44Å; I48-V234 HydrophobicContact CD1-CG2 3.84Å; I48-V234 HydrophobicContact CG1-CG2 4.21Å; L97-V234 HydrophobicContact CD1-CG2 4.36Å; V100-V234 HydrophobicContact CB-CG2 4.23Å; V100-V234 HydrophobicContact CG1-CB 3.88Å; V100-V234 HydrophobicContact CG1-CG1 4.18Å; V100-V234 HydrophobicContact CG1-CG2 3.89Å; V100-V234 HydrophobicContact CG2-CG2 4.28Å; L101-V234 HydrophobicContact CD2-CG1 4.32Å
235V95.4Very high88.7Confident4 Ų452.6 Ų52.62%0.02425%0.25CC..EExtended strand (participates in β ladder)trans-136164.3-168.6-620000111.4V28 Q29 E31 V44 A233V28-V235 CarbonylContact C-O 3.51Å; V28-V235 WeakPolarHBondContact CA-O 3.3Å; Q29-V235 HydrophobicContact CG-CG2 3.77Å; Q29-V235 PolarHBondContact N-O 3.06Å; Q29-V235 PolarHBondContact O-N 3.12Å; Q29-V235 VanDerWaalsContact O-O 3.08Å; E31-V235 HydrophobicContact CG-CG2 3.76Å; V44-V235 HydrophobicContact CB-CG1 4.48Å; V44-V235 HydrophobicContact CG1-CG1 4.45Å; V44-V235 HydrophobicContact CG2-CG1 4.07Å; A233-V235 HydrophobicContact CB-CG1 3.93Å
236P94.6Very high90.2Very high31 Ų3146.8 Ų46.820%0.20122%0.223CC..EExtended strand (participates in β ladder)trans-61.7151.2171.5-2232.9000112.7G27 P43 Y45 R238G27-P236 CarbonylContact O-C 3.49Å; G27-P236 VanDerWaalsContact O-CA 3.29Å; G27-P236 WeakPolarHBondContact O-CA 3.35Å; P43-P236 HydrophobicContact CG-CG 4.08Å; P43-P236 WeakPolarHBondContact O-CD 3.06Å; Y45-P236 HydrophobicContact CE2-CB 4.44Å; Y45-P236 HydrophobicContact CE2-CG 3.79Å; P236-R238 PolarHBondContact O-N 2.83Å
237D94.2Very high91.5Very high6 Ų647.7 Ų47.73%0.03223%0.228CC..  trans-63.8116.5177.3-165.5-54.1000111G27 Q29 R239 M240 K241 R655G27-D237 PolarHBondContact O-N 2.89Å; Q29-D237 PolarHBondContact OE1-OD1 3.45Å; D237-R239 PolarHBondContact O-N 2.82Å; D237-R239 VanDerWaalsContact OD1-CB 3.23Å; D237-R239 WeakPolarHBondContact OD1-CB 3.35Å; D237-R239 WeakPolarHBondContact OD1-CG 3.45Å; D237-R239 IonicContact OD1-CZ 2.99Å; D237-R239 PolarHBondContact OD1-N 3.48Å; D237-R239 IonicContact OD1-NE 2.7Å; D237-R239 PolarHBondContact OD1-NE 2.83Å; D237-R239 IonicContact OD1-NH2 3.33Å; D237-R239 IonicContact OD2-CZ 3.29Å; D237-R239 IonicContact OD2-NE 3.39Å; D237-R239 PolarHBondContact OD2-NE 3.32Å; D237-R239 IonicContact OD2-NH2 2.97Å; D237-R239 PolarHBondContact OD2-NH2 2.81Å; D237-M240 HydrophobicContact CB-CE 4.28Å; D237-M240 HydrophobicContact CB-CG 4.14Å; D237-M240 HydrophobicContact CB-SD 4.45Å; D237-M240 PolarHBondContact O-N 3.14Å; D237-K241 PolarHBondContact O-N 2.93Å; D237-R655 VanDerWaalsContact CG-NH2 3.3Å; D237-R655 IonicContact OD1-NH2 2.75Å; D237-R655 PolarHBondContact OD1-NH2 3.02Å; D237-R655 IonicContact OD2-CZ 2.72Å; D237-R655 VanDerWaalsContact OD2-CZ 3.29Å; D237-R655 IonicContact OD2-NH1 3.13Å; D237-R655 PolarHBondContact OD2-NH1 3.13Å; D237-R655 IonicContact OD2-NH2 3.71Å; D237-R655 PolarHBondContact OD2-NH2 3.47Å
238R91.8Very high92.2Very high74 Ų7442 Ų4228%0.27920%0.199SC..Hα-helixtrans-64.3-26.8-175.2-74-172.1-170.2-157.16.4112.4Q29 E31 P236 M240 K241 Y242 E651Q29-R238 VanDerWaalsContact OE1-N 3.08Å; E31-R238 WeakPolarHBondContact OE1-CD 3.22Å; E31-R238 IonicContact OE1-CZ 3.98Å; E31-R238 IonicContact OE1-NE 2.73Å; E31-R238 PolarHBondContact OE1-NE 2.78Å; E31-R238 IonicContact OE1-NH2 3.58Å; E31-R238 PolarHBondContact OE1-NH2 2.67Å; E31-R238 IonicContact OE2-CZ 3.48Å; E31-R238 IonicContact OE2-NE 3.76Å; E31-R238 PolarHBondContact OE2-NE 2.82Å; E31-R238 IonicContact OE2-NH2 2.67Å; E31-R238 PolarHBondContact OE2-NH2 3.4Å; P236-R238 PolarHBondContact O-N 2.83Å; R238-M240 PolarHBondContact O-N 3.1Å; R238-K241 WeakPolarHBondContact O-CB 3.22Å; R238-K241 PolarHBondContact O-N 3.46Å; R238-Y242 HydrophobicContact CB-CE2 4.03Å; R238-Y242 WeakPolarHBondContact O-CD2 3.31Å; R238-Y242 PolarHBondContact O-N 3.08Å; R238-E651 HydrophobicContact CB-CG 3.85Å
239R94Very high92.2Very high58 Ų5837.9 Ų37.922%0.21918%0.184CC..Hα-helixtrans-62.1-46.2178.3-56.7172.7-65.9161.6-0.1110.2E21 D237 K241 Y242 E243 L648 E651 V652E21-R239 IonicContact OE1-NH2 2.68Å; D237-R239 PolarHBondContact O-N 2.82Å; D237-R239 VanDerWaalsContact OD1-CB 3.23Å; D237-R239 WeakPolarHBondContact OD1-CB 3.35Å; D237-R239 WeakPolarHBondContact OD1-CG 3.45Å; D237-R239 IonicContact OD1-CZ 2.99Å; D237-R239 PolarHBondContact OD1-N 3.48Å; D237-R239 IonicContact OD1-NE 2.7Å; D237-R239 PolarHBondContact OD1-NE 2.83Å; D237-R239 IonicContact OD1-NH2 3.33Å; D237-R239 IonicContact OD2-CZ 3.29Å; D237-R239 IonicContact OD2-NE 3.39Å; D237-R239 PolarHBondContact OD2-NE 3.32Å; D237-R239 IonicContact OD2-NH2 2.97Å; D237-R239 PolarHBondContact OD2-NH2 2.81Å; R239-K241 VanDerWaalsContact C-N 3.31Å; R239-K241 PolarHBondContact O-N 3.31Å; R239-Y242 CarbonylContact O-C 3.51Å; R239-Y242 PolarHBondContact O-N 3.44Å; R239-Y242 VanDerWaalsContact O-N 3.09Å; R239-E243 WeakPolarHBondContact O-CB 3.37Å; R239-E243 VanDerWaalsContact O-CG 3.29Å; R239-E243 WeakPolarHBondContact O-CG 3.45Å; R239-E243 PolarHBondContact O-N 3.24Å; R239-L648 HydrophobicContact CB-CD1 3.82Å; R239-L648 HydrophobicContact CG-CD1 4.31Å; R239-E651 HydrophobicContact CG-CB 3.98Å; R239-E651 HydrophobicContact CG-CG 3.52Å; R239-V652 HydrophobicContact CG-CG2 4.23Å
240M92.1Very high92.3Very high92 Ų9238.4 Ų38.445%0.45319%0.186SC..Hα-helixtrans-62.9-36177.2-54.7-169.4-3800112.4D237 R238 S244D237-M240 HydrophobicContact CB-CE 4.28Å; D237-M240 HydrophobicContact CB-CG 4.14Å; D237-M240 HydrophobicContact CB-SD 4.45Å; D237-M240 PolarHBondContact O-N 3.14Å; R238-M240 PolarHBondContact O-N 3.1Å; M240-S244 WeakPolarHBondContact O-CB 3.35Å; M240-S244 PolarHBondContact O-N 2.95Å
241K89.6Confident92Very high94 Ų9443.3 Ų43.341%0.40920%0.203SC..Hα-helixtrans-60.6-45.3173.1-176.7-173.7177-173.10110.7D237 R238 R239 K245 D519D237-K241 PolarHBondContact O-N 2.93Å; R238-K241 WeakPolarHBondContact O-CB 3.22Å; R238-K241 PolarHBondContact O-N 3.46Å; R239-K241 VanDerWaalsContact C-N 3.31Å; R239-K241 PolarHBondContact O-N 3.31Å; K241-K245 VanDerWaalsContact O-CB 3.3Å; K241-K245 WeakPolarHBondContact O-CB 3.28Å; K241-K245 PolarHBondContact O-N 3.16Å; K241-K245 VanDerWaalsContact O-N 3.14Å; K241-D519 IonicContact NZ-OD2 2.9Å
242Y92Very high91.4Very high29 Ų2943.2 Ų43.211%0.11420%0.202CC..Hα-helixtrans-73.8-41.2179.5-58.3-40.7000112.8R238 R239 K245 L246 Y644 F647 E651R238-Y242 HydrophobicContact CB-CE2 4.03Å; R238-Y242 WeakPolarHBondContact O-CD2 3.31Å; R238-Y242 PolarHBondContact O-N 3.08Å; R239-Y242 CarbonylContact O-C 3.51Å; R239-Y242 PolarHBondContact O-N 3.44Å; R239-Y242 VanDerWaalsContact O-N 3.09Å; Y242-K245 PolarHBondContact O-N 2.94Å; Y242-L246 WeakPolarHBondContact O-CB 3.33Å; Y242-L246 VanDerWaalsContact O-CG 3.28Å; Y242-L246 WeakPolarHBondContact O-CG 3.44Å; Y242-L246 PolarHBondContact O-N 3.29Å; Y242-Y644 AromaticContact CD1-CD1 3.6Å; Y242-Y644 HydrophobicContact CD1-CD1 3.6Å; Y242-Y644 AromaticContact CD1-CE1 3.83Å; Y242-Y644 HydrophobicContact CD1-CE1 3.83Å; Y242-Y644 HydrophobicContact CE1-CD1 4.18Å; Y242-Y644 HydrophobicContact CE1-CE1 4.12Å; Y242-Y644 HydrophobicContact CG-CD1 4.41Å; Y242-F647 HydrophobicContact CD1-CB 4.36Å; Y242-F647 HydrophobicContact CD2-CB 4.06Å; Y242-F647 HydrophobicContact CE1-CB 4.15Å; Y242-F647 HydrophobicContact CE2-CB 3.87Å; Y242-F647 HydrophobicContact CG-CB 4.32Å; Y242-E651 HydrophobicContact CE2-CB 4.33Å
243E93.6Very high90.9Very high90 Ų9047.4 Ų47.442%0.42122%0.218SC..Hα-helixtrans-57.5-53.1174.1-73.7163.1173.500111R239 K245 L246 D247 L648R239-E243 WeakPolarHBondContact O-CB 3.37Å; R239-E243 VanDerWaalsContact O-CG 3.29Å; R239-E243 WeakPolarHBondContact O-CG 3.45Å; R239-E243 PolarHBondContact O-N 3.24Å; E243-K245 VanDerWaalsContact C-N 3.34Å; E243-K245 PolarHBondContact O-N 3.48Å; E243-L246 WeakPolarHBondContact O-CB 3.42Å; E243-L246 PolarHBondContact O-N 3.47Å; E243-D247 WeakPolarHBondContact O-CB 3.39Å; E243-D247 PolarHBondContact O-N 3.19Å; E243-L648 HydrophobicContact CG-CD1 3.74Å; E243-L648 HydrophobicContact CG-CD2 3.6Å; E243-L648 HydrophobicContact CG-CG 4.34Å
244S90.1Very high90.5Very high69 Ų6951.9 Ų51.948%0.48324%0.239SC..Hα-helixtrans-59.1-42.3177.2-178.60000112.4M240 D247 I248M240-S244 WeakPolarHBondContact O-CB 3.35Å; M240-S244 PolarHBondContact O-N 2.95Å; S244-D247 WeakPolarHBondContact O-CB 3.45Å; S244-D247 PolarHBondContact O-N 3.16Å; S244-I248 WeakPolarHBondContact O-CG1 3.3Å; S244-I248 PolarHBondContact O-N 2.89Å
245K87Confident89.8Confident30 Ų3053.1 Ų53.113%0.1325%0.246CC..Hα-helixtrans-67.5-38.6177.5-173.257.7170.7-178.60112.4K241 Y242 E243 D247 I248 L249 N523 Y644K241-K245 VanDerWaalsContact O-CB 3.3Å; K241-K245 WeakPolarHBondContact O-CB 3.28Å; K241-K245 PolarHBondContact O-N 3.16Å; K241-K245 VanDerWaalsContact O-N 3.14Å; Y242-K245 PolarHBondContact O-N 2.94Å; E243-K245 VanDerWaalsContact C-N 3.34Å; E243-K245 PolarHBondContact O-N 3.48Å; K245-D247 VanDerWaalsContact C-N 3.35Å; K245-I248 PolarHBondContact O-N 3.35Å; K245-L249 HydrophobicContact CG-CD1 4.15Å; K245-L249 WeakPolarHBondContact O-CB 3.47Å; K245-L249 VanDerWaalsContact O-CG 3.26Å; K245-L249 WeakPolarHBondContact O-CG 3.41Å; K245-L249 PolarHBondContact O-N 2.84Å; K245-N523 PolarHBondContact NZ-OD1 3.39Å; K245-Y644 HydrophobicContact CG-CD1 4.36Å; K245-Y644 HydrophobicContact CG-CD2 4Å; K245-Y644 HydrophobicContact CG-CE1 4.07Å; K245-Y644 HydrophobicContact CG-CE2 3.67Å; K245-Y644 HydrophobicContact CG-CG 4.34Å
246L90.8Very high89.1Confident6 Ų652.9 Ų52.93%0.03125%0.245CC..Hα-helixtrans-63.1-42.1173.2-78.8170.8000111.8Y242 E243 L249 K250 I641 E645 L648Y242-L246 WeakPolarHBondContact O-CB 3.33Å; Y242-L246 VanDerWaalsContact O-CG 3.28Å; Y242-L246 WeakPolarHBondContact O-CG 3.44Å; Y242-L246 PolarHBondContact O-N 3.29Å; E243-L246 WeakPolarHBondContact O-CB 3.42Å; E243-L246 PolarHBondContact O-N 3.47Å; L246-L249 PolarHBondContact O-N 2.87Å; L246-K250 VanDerWaalsContact O-CB 3.28Å; L246-K250 WeakPolarHBondContact O-CB 3.41Å; L246-K250 WeakPolarHBondContact O-CG 3.29Å; L246-K250 PolarHBondContact O-N 3.01Å; L246-I641 HydrophobicContact CD2-CB 4.45Å; L246-I641 HydrophobicContact CD2-CG2 4.11Å; L246-I641 WeakPolarHBondContact CD2-O 3.35Å; L246-E645 HydrophobicContact CD1-CG 3.85Å; L246-E645 HydrophobicContact CD2-CG 3.64Å; L246-E645 HydrophobicContact CG-CG 4.42Å; L246-L648 HydrophobicContact CD1-CB 4.29Å; L246-L648 HydrophobicContact CD1-CD2 3.75Å
247D90.9Very high88.7Confident81 Ų8153.4 Ų53.443%0.43325%0.246SC..Hα-helixtrans-59.4-46.2176.3-115.830.8000111.5E243 S244 K245 K250 R251E243-D247 WeakPolarHBondContact O-CB 3.39Å; E243-D247 PolarHBondContact O-N 3.19Å; S244-D247 WeakPolarHBondContact O-CB 3.45Å; S244-D247 PolarHBondContact O-N 3.16Å; K245-D247 VanDerWaalsContact C-N 3.35Å; D247-K250 PolarHBondContact O-N 2.92Å; D247-R251 WeakPolarHBondContact O-CG 3.33Å; D247-R251 PolarHBondContact O-N 3.39Å; D247-R251 IonicContact OD2-CZ 3.59Å; D247-R251 IonicContact OD2-NH1 2.67Å; D247-R251 IonicContact OD2-NH2 2.67Å; D247-R251 PolarHBondContact OD2-NH2 3.05Å
248I86.4Confident88.2Confident21 Ų2156.6 Ų56.611%0.10826%0.26CS..Hα-helixtrans-61.3-48.6173.6-68.4166.4000111S244 K245 K250 R251 N252 G544 V545S244-I248 WeakPolarHBondContact O-CG1 3.3Å; S244-I248 PolarHBondContact O-N 2.89Å; K245-I248 PolarHBondContact O-N 3.35Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 3.16Å; I248-R251 PolarHBondContact O-N 3.22Å; I248-N252 WeakPolarHBondContact O-CB 3.16Å; I248-N252 PolarHBondContact O-N 3Å; I248-N252 PolarHBondContact O-OD1 2.74Å; I248-G544 WeakPolarHBondContact CG2-O 3.21Å; I248-V545 HydrophobicContact CB-CG2 4.45Å; I248-V545 HydrophobicContact CD1-CG2 4.45Å; I248-V545 HydrophobicContact CG1-CG2 3.96Å; I248-V545 HydrophobicContact CG2-CG2 3.88Å
249L86.4Confident87.6Confident6 Ų653.2 Ų53.23%0.03125%0.249CC..Hα-helixtrans-64-36.9-180-70.8167.5000112.5K245 L246 N252 R253 V637 D640 I641 Y644K245-L249 HydrophobicContact CG-CD1 4.15Å; K245-L249 WeakPolarHBondContact O-CB 3.47Å; K245-L249 VanDerWaalsContact O-CG 3.26Å; K245-L249 WeakPolarHBondContact O-CG 3.41Å; K245-L249 PolarHBondContact O-N 2.84Å; L246-L249 PolarHBondContact O-N 2.87Å; L249-N252 PolarHBondContact O-N 3.47Å; L249-R253 WeakPolarHBondContact O-CB 3.43Å; L249-R253 PolarHBondContact O-N 2.94Å; L249-V637 HydrophobicContact CB-CG1 4.4Å; L249-V637 HydrophobicContact CD2-CG1 4.27Å; L249-V637 WeakPolarHBondContact O-CG1 3.23Å; L249-D640 HydrophobicContact CD1-CB 4.02Å; L249-D640 HydrophobicContact CD2-CB 4.23Å; L249-I641 HydrophobicContact CB-CD1 4.2Å; L249-I641 HydrophobicContact CB-CG1 3.6Å; L249-I641 HydrophobicContact CD1-CG1 4.4Å; L249-Y644 HydrophobicContact CD1-CD2 3.5Å; L249-Y644 VanDerWaalsContact CD1-CD2 3.5Å; L249-Y644 HydrophobicContact CD1-CE2 3.95Å; L249-Y644 HydrophobicContact CD1-CG 4.48Å
250K89.8Confident87Confident87 Ų8751.2 Ų51.238%0.37824%0.242SC..Hα-helixtrans-69.5-37.7177-74.1168.3-178.9178.70111.9L246 D247 I248 Q254 I641 E645L246-K250 VanDerWaalsContact O-CB 3.28Å; L246-K250 WeakPolarHBondContact O-CB 3.41Å; L246-K250 WeakPolarHBondContact O-CG 3.29Å; L246-K250 PolarHBondContact O-N 3.01Å; D247-K250 PolarHBondContact O-N 2.92Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 3.16Å; K250-Q254 PolarHBondContact O-N 2.93Å; K250-I641 HydrophobicContact CG-CD1 3.99Å; K250-I641 HydrophobicContact CG-CG1 4.38Å; K250-E645 WeakPolarHBondContact CE-OE1 3.43Å; K250-E645 IonicContact NZ-OE1 3.82Å; K250-E645 PolarHBondContact NZ-OE1 2.75Å
251R87.4Confident86.5Confident124 Ų12451.6 Ų51.647%0.46824%0.243SC..Hα-helixtrans-61.6-50.5167.9-69.5173.1-163.7108.713.2111.1D247 I248 R253 Q254 T255D247-R251 WeakPolarHBondContact O-CG 3.33Å; D247-R251 PolarHBondContact O-N 3.39Å; D247-R251 IonicContact OD2-CZ 3.59Å; D247-R251 IonicContact OD2-NH1 2.67Å; D247-R251 IonicContact OD2-NH2 2.67Å; D247-R251 PolarHBondContact OD2-NH2 3.05Å; I248-R251 PolarHBondContact O-N 3.22Å; R251-R253 VanDerWaalsContact C-N 3.32Å; R251-R253 PolarHBondContact O-N 2.71Å; R251-Q254 WeakPolarHBondContact O-CA 3.47Å; R251-Q254 WeakPolarHBondContact O-CB 3.01Å; R251-Q254 PolarHBondContact O-N 3.31Å; R251-T255 PolarHBondContact O-N 3.37Å; R251-T255 PolarHBondContact O-OG1 3.42Å
252N82.4Confident86Confident3 Ų351.4 Ų51.42%0.01624%0.242CC..Hα-helixtrans-56.8-44.5179.1-68.9-3.9000111.9I248 L249 Q254 T255 I256 G544 I546I248-N252 WeakPolarHBondContact O-CB 3.16Å; I248-N252 PolarHBondContact O-N 3Å; I248-N252 PolarHBondContact O-OD1 2.74Å; L249-N252 PolarHBondContact O-N 3.47Å; N252-Q254 VanDerWaalsContact C-N 3.31Å; N252-Q254 PolarHBondContact O-N 3.37Å; N252-T255 PolarHBondContact O-N 3.34Å; N252-I256 VanDerWaalsContact O-CD1 3.3Å; N252-I256 WeakPolarHBondContact O-CD1 3.2Å; N252-I256 WeakPolarHBondContact O-CG1 3.44Å; N252-I256 PolarHBondContact O-N 3.34Å; N252-G544 PolarHBondContact ND2-O 2.68Å; N252-I546 HydrophobicContact CB-CB 4.45Å; N252-I546 HydrophobicContact CB-CD1 4.12Å; N252-I546 HydrophobicContact CB-CG1 4.33Å; N252-I546 PolarHBondContact OD1-N 2.72Å
253R87.6Confident85.1Confident90 Ų9051.3 Ų51.334%0.3424%0.243SC..Hα-helixtrans-54.9-45.1174.3-176.2179.9177.6-89.4-2.3112L249 R251 I256 L257 L634 V637 E638 I641L249-R253 WeakPolarHBondContact O-CB 3.43Å; L249-R253 PolarHBondContact O-N 2.94Å; R251-R253 VanDerWaalsContact C-N 3.32Å; R251-R253 PolarHBondContact O-N 2.71Å; R253-I256 PolarHBondContact O-N 2.74Å; R253-L257 HydrophobicContact CG-CD1 4.21Å; R253-L257 WeakPolarHBondContact O-CG 3.43Å; R253-L257 PolarHBondContact O-N 3.28Å; R253-L634 HydrophobicContact CG-CD1 3.76Å; R253-V637 HydrophobicContact CB-CG1 3.94Å; R253-E638 HydrophobicContact CG-CG 4.46Å; R253-E638 IonicContact CZ-OE1 3.17Å; R253-E638 IonicContact NE-OE1 2.66Å; R253-E638 PolarHBondContact NE-OE1 2.95Å; R253-E638 IonicContact NH2-OE1 2.71Å; R253-E638 PolarHBondContact NH2-OE1 3.15Å; R253-I641 HydrophobicContact CB-CD1 4.15Å
254Q87.4Confident84.4Confident94 Ų9451.4 Ų51.444%0.43925%0.246SC..Hα-helixtrans-64.1-46.7176.5178.959.325.400111.6K250 R251 N252 I256 L257 E258K250-Q254 PolarHBondContact O-N 2.93Å; R251-Q254 WeakPolarHBondContact O-CA 3.47Å; R251-Q254 WeakPolarHBondContact O-CB 3.01Å; R251-Q254 PolarHBondContact O-N 3.31Å; N252-Q254 VanDerWaalsContact C-N 3.31Å; N252-Q254 PolarHBondContact O-N 3.37Å; Q254-I256 VanDerWaalsContact C-N 3.29Å; Q254-I256 PolarHBondContact O-N 3.08Å; Q254-L257 PolarHBondContact O-N 2.9Å; Q254-E258 PolarHBondContact NE2-OE1 3.06Å; Q254-E258 PolarHBondContact O-N 2.88Å
255T81.9Confident83.8Confident26 Ų2656.8 Ų56.816%0.1626%0.256CS..Hα-helixtrans-57.8-41.1176.8-45.30000111.9R251 N252 E258 G259 L538 I546 A548R251-T255 PolarHBondContact O-N 3.37Å; R251-T255 PolarHBondContact O-OG1 3.42Å; N252-T255 PolarHBondContact O-N 3.34Å; T255-E258 PolarHBondContact O-N 2.9Å; T255-G259 PolarHBondContact O-N 3.41Å; T255-L538 HydrophobicContact CG2-CD2 3.68Å; T255-I546 HydrophobicContact CG2-CG2 4.25Å; T255-I546 WeakPolarHBondContact CG2-O 3.33Å; T255-I546 PolarHBondContact OG1-O 2.75Å; T255-I546 VanDerWaalsContact OG1-O 3.06Å; T255-A548 HydrophobicContact CG2-CB 4.02Å
256I81.1Confident82.9Confident0 Ų061.7 Ų61.70%028%0.282CS..Hα-helixtrans-66.6-43.2177.8-64.5155.9000111.4N252 R253 Q254 E258 G259 L260 I546 L630 L633 L634 V637N252-I256 VanDerWaalsContact O-CD1 3.3Å; N252-I256 WeakPolarHBondContact O-CD1 3.2Å; N252-I256 WeakPolarHBondContact O-CG1 3.44Å; N252-I256 PolarHBondContact O-N 3.34Å; R253-I256 PolarHBondContact O-N 2.74Å; Q254-I256 VanDerWaalsContact C-N 3.29Å; Q254-I256 PolarHBondContact O-N 3.08Å; I256-E258 VanDerWaalsContact C-N 3.34Å; I256-E258 PolarHBondContact O-N 3.4Å; I256-G259 PolarHBondContact O-N 3.36Å; I256-L260 HydrophobicContact CG2-CD1 4.28Å; I256-L260 PolarHBondContact O-N 2.76Å; I256-I546 HydrophobicContact CD1-CD1 4.46Å; I256-L630 HydrophobicContact CG2-CB 4.49Å; I256-L630 WeakPolarHBondContact CG2-O 3.1Å; I256-L633 HydrophobicContact CD1-CD2 3.87Å; I256-L633 HydrophobicContact CD1-CG 3.72Å; I256-L633 HydrophobicContact CG1-CD2 3.94Å; I256-L633 HydrophobicContact CG1-CG 4.28Å; I256-L634 HydrophobicContact CG2-CB 3.91Å; I256-L634 HydrophobicContact CG2-CD1 4.39Å; I256-V637 HydrophobicContact CD1-CB 4.41Å; I256-V637 HydrophobicContact CD1-CG2 3.86Å
257L85.8Confident81.6Confident42 Ų4266 Ų6622%0.2231%0.309CS..Hα-helixtrans-62.4-39.7176.4-75.3168.7000112R253 Q254 L260 Q261 L634R253-L257 HydrophobicContact CG-CD1 4.21Å; R253-L257 WeakPolarHBondContact O-CG 3.43Å; R253-L257 PolarHBondContact O-N 3.28Å; Q254-L257 PolarHBondContact O-N 2.9Å; L257-L260 PolarHBondContact O-N 3.42Å; L257-Q261 WeakPolarHBondContact O-CG 3.47Å; L257-Q261 PolarHBondContact O-N 3.13Å; L257-L634 HydrophobicContact CD2-CD1 4.14Å; L257-L634 HydrophobicContact CD2-CD2 3.71Å; L257-L634 HydrophobicContact CG-CD1 4.03Å; L257-L634 HydrophobicContact CG-CD2 4.48Å
258E83.9Confident79.9Confident72 Ų7269.2 Ų69.234%0.33632%0.322SS..Hα-helixtrans-67.2-39.1173.5-73.3-178.6-150.900112.8Q254 T255 I256 Q261 K262Q254-E258 PolarHBondContact NE2-OE1 3.06Å; Q254-E258 PolarHBondContact O-N 2.88Å; T255-E258 PolarHBondContact O-N 2.9Å; I256-E258 VanDerWaalsContact C-N 3.34Å; I256-E258 PolarHBondContact O-N 3.4Å; E258-Q261 PolarHBondContact O-N 2.77Å; E258-K262 WeakPolarHBondContact O-CB 3.33Å; E258-K262 WeakPolarHBondContact O-CD 3.28Å; E258-K262 WeakPolarHBondContact O-CG 3.29Å; E258-K262 PolarHBondContact O-N 3.32Å; E258-K262 IonicContact OE2-NZ 3.31Å; E258-K262 PolarHBondContact OE2-NZ 3Å
259G79.1Confident78Confident4 Ų473.5 Ų73.54%0.04135%0.351CS..Hα-helixtrans-58.1-46.717200000111.9T255 I256 K262 M263T255-G259 PolarHBondContact O-N 3.41Å; I256-G259 PolarHBondContact O-N 3.36Å; G259-K262 PolarHBondContact O-N 2.97Å; G259-M263 WeakPolarHBondContact O-CG 3.38Å; G259-M263 PolarHBondContact O-N 3.35Å
260L81.8Confident76Confident15 Ų1579.9 Ų79.98%0.07938%0.38CS..Hα-helixtrans-59-46.8174-78.3165.7000112.2I256 L257 K262 M263 I264 P627 L630 L631 L634I256-L260 HydrophobicContact CG2-CD1 4.28Å; I256-L260 PolarHBondContact O-N 2.76Å; L257-L260 PolarHBondContact O-N 3.42Å; L260-K262 PolarHBondContact O-N 2.92Å; L260-M263 PolarHBondContact O-N 2.86Å; L260-I264 VanDerWaalsContact O-CG1 3.31Å; L260-I264 WeakPolarHBondContact O-CG1 3.25Å; L260-I264 PolarHBondContact O-N 2.95Å; L260-P627 HydrophobicContact CD2-CB 4.41Å; L260-L630 HydrophobicContact CD1-CB 4.33Å; L260-L630 HydrophobicContact CD2-CB 3.51Å; L260-L630 HydrophobicContact CD2-CD1 4.18Å; L260-L630 HydrophobicContact CG-CB 3.73Å; L260-L630 HydrophobicContact CG-CD1 4.23Å; L260-L631 HydrophobicContact CD1-CD2 4Å; L260-L631 HydrophobicContact CD1-CG 4.34Å; L260-L631 HydrophobicContact CD2-CD2 4.42Å; L260-L631 HydrophobicContact CD2-CG 3.99Å; L260-L634 HydrophobicContact CD1-CD2 3.98Å
261Q82.4Confident73.9Confident101 Ų10182.7 Ų82.747%0.47241%0.405SS..Hα-helixtrans-63.4-41177.6-72.4-176.923.400112.6L257 E258 I264 R265L257-Q261 WeakPolarHBondContact O-CG 3.47Å; L257-Q261 PolarHBondContact O-N 3.13Å; E258-Q261 PolarHBondContact O-N 2.77Å; Q261-I264 PolarHBondContact O-N 3.47Å; Q261-R265 WeakPolarHBondContact O-CG 3.27Å; Q261-R265 PolarHBondContact O-N 3.01Å
262K79.3Confident71.9Confident90 Ų9082.7 Ų82.739%0.39142%0.418SS..Hα-helixtrans-60.7-44.5175.2-71.7160-170.5162.30110.6E258 G259 L260 R265 L266E258-K262 WeakPolarHBondContact O-CB 3.33Å; E258-K262 WeakPolarHBondContact O-CD 3.28Å; E258-K262 WeakPolarHBondContact O-CG 3.29Å; E258-K262 PolarHBondContact O-N 3.32Å; E258-K262 IonicContact OE2-NZ 3.31Å; E258-K262 PolarHBondContact OE2-NZ 3Å; G259-K262 PolarHBondContact O-N 2.97Å; L260-K262 PolarHBondContact O-N 2.92Å; K262-R265 PolarHBondContact O-N 2.75Å; K262-L266 WeakPolarHBondContact O-CG 3.42Å; K262-L266 PolarHBondContact O-N 3.01Å
263M71.6Confident69.9Low26 Ų2690.4 Ų90.413%0.12845%0.454CS..Hα-helixtrans-65.5-38.8176.1-71.5-60.5-66.200113.5G259 L260 L266 T267 L630G259-M263 WeakPolarHBondContact O-CG 3.38Å; G259-M263 PolarHBondContact O-N 3.35Å; L260-M263 PolarHBondContact O-N 2.86Å; M263-L266 PolarHBondContact O-N 2.73Å; M263-L266 HydrophobicContact SD-CD1 4.5Å; M263-T267 WeakPolarHBondContact O-CB 3.29Å; M263-T267 PolarHBondContact O-N 2.89Å; M263-T267 VanDerWaalsContact O-N 3.07Å; M263-T267 PolarHBondContact O-OG1 3.33Å; M263-L630 HydrophobicContact CG-CD1 4.37Å
264I78.8Confident67.4Low93 Ų9393.4 Ų93.448%0.47748%0.477SS..Hα-helixtrans-62.8-46.4175.4-69.6163.3000110.5L260 Q261 L266 T267 Q268L260-I264 VanDerWaalsContact O-CG1 3.31Å; L260-I264 WeakPolarHBondContact O-CG1 3.25Å; L260-I264 PolarHBondContact O-N 2.95Å; Q261-I264 PolarHBondContact O-N 3.47Å; I264-L266 PolarHBondContact O-N 3.22Å; I264-T267 PolarHBondContact O-N 3.26Å; I264-T267 VanDerWaalsContact O-N 3.11Å; I264-Q268 PolarHBondContact O-N 2.87Å
265R77.7Confident65.2Low182 Ų18298.9 Ų98.969%0.68750%0.499SS*.Hα-helixtrans-61.7-41.2177-68.2175.8-167.6-177.66.7112.2Q261 K262 T267 Q268Q261-R265 WeakPolarHBondContact O-CG 3.27Å; Q261-R265 PolarHBondContact O-N 3.01Å; K262-R265 PolarHBondContact O-N 2.75Å; R265-T267 PolarHBondContact O-N 3.28Å; R265-Q268 PolarHBondContact O-N 3.14Å
266L68.5Low63Low133 Ų133105.9 Ų105.970%0.69653%0.527SS*.Hα-helixtrans-68-20.2175.8-72.9166.9000113.7K262 M263 I264K262-L266 WeakPolarHBondContact O-CG 3.42Å; K262-L266 PolarHBondContact O-N 3.01Å; M263-L266 PolarHBondContact O-N 2.73Å; M263-L266 HydrophobicContact SD-CD1 4.5Å; I264-L266 PolarHBondContact O-N 3.22Å
267T64.3Low60.7Low97 Ų97115.3 Ų115.360%0.59557%0.572SS**Hα-helixtrans-94.2-8179-48.50000112.5M263 I264 R265M263-T267 WeakPolarHBondContact O-CB 3.29Å; M263-T267 PolarHBondContact O-N 2.89Å; M263-T267 VanDerWaalsContact O-N 3.07Å; M263-T267 PolarHBondContact O-OG1 3.33Å; I264-T267 PolarHBondContact O-N 3.26Å; I264-T267 VanDerWaalsContact O-N 3.11Å; R265-T267 PolarHBondContact O-N 3.28Å
268Q54.8Low58.2Low148 Ų148120.5 Ų120.569%0.69260%0.595SS**  trans-125.683.1178.8-68-171.45.800111.9I264 R265I264-Q268 PolarHBondContact O-N 2.87Å; R265-Q268 PolarHBondContact O-N 3.14Å
269P46.9Very low55.6Low111 Ų111125 Ų12572%0.72162%0.621SS**  trans-64.7157.815930.8-34.5000110.7
270E43.8Very low53.3Low139 Ų139129.7 Ų129.765%0.6565%0.653SS**  trans-61.9140.3-167-61.5-167.3158.900115.2Q273E270-Q273 PolarHBondContact OE2-NE2 3.02Å
271V45Very low50.8Low147 Ų147133.5 Ų133.589%0.89168%0.681SS**SBendtrans-115.943.3160.4-1650000109.4
272V44.9Very low48.2Very low124 Ų124133.8 Ų133.875%0.75269%0.694SS**  trans-138.235.9-174.7-156.20000112.9
273Q42.2Very low46.7Very low164 Ų164134.6 Ų134.677%0.76671%0.709SS**SBendtrans-147.746.3178.1-119.9177.8119.800116.2E270E270-Q273 PolarHBondContact OE2-NE2 3.02Å
274D35Very low44.6Very low153 Ų153140.6 Ų140.682%0.81874%0.741SS**SBendtrans-151.843.8167.8-134.1-14.7000116.4
275K39.8Very low42.4Very low210 Ų210143.9 Ų143.991%0.91375%0.754SS**SBendtrans-142.343.8171.4-80.8-159.3175.41800115.1
276K35.7Very low40.2Very low172 Ų172139.9 Ų139.975%0.74875%0.747SS**  trans-152.554162.1-147176.2-177.4179.80116.6Q278K276-Q278 VanDerWaalsContact CE-OE1 3.3Å; K276-Q278 HydrophobicContact CG-CB 4.2Å; K276-Q278 PolarHBondContact O-N 3.15Å
277Q33.9Very low38.5Very low199 Ų199140.1 Ų140.193%0.9375%0.754SS**  trans-73.3107149.2-71.7-1683.600108.2
278Q32.2Very low37.1Very low151 Ų151141.1 Ų141.171%0.70676%0.76SS**  trans-146.974.6178.7-162.4177.321.700112.1K276K276-Q278 VanDerWaalsContact CE-OE1 3.3Å; K276-Q278 HydrophobicContact CG-CB 4.2Å; K276-Q278 PolarHBondContact O-N 3.15Å
279N29.7Very low36.1Very low165 Ų165143.3 Ų143.388%0.88277%0.767SS**  trans-113.6142.5158.1-71.9-25.3000106.4
280S31Very low35.3Very low103 Ų103146.4 Ų146.472%0.7277%0.769SS**  cis-156.6173.55.854.60000112.4
281S30Very low34.6Very low95 Ų95147.2 Ų147.266%0.66477%0.773SS**  trans62.194.2148.754.70000122
282S27.7Very low34Very low108 Ų108144.5 Ų144.576%0.75577%0.766SS**  36.8162.6102.966.90000122.5
283P46.5Very low33.2Very low106 Ų106146.3 Ų146.369%0.68877%0.772SS**  cis-135.3-179.3-18.830.1-7.3000114.4
284D28.2Very low32.6Very low152 Ų152143 Ų14381%0.81377%0.772SS**  178.4172.7113-97.9-15000115.2
285E32.6Very low32.3Very low162 Ų162142.3 Ų142.376%0.75777%0.769SS**  trans-66.5-178.8-163.6-39.5-170.3110.900118
286N32.3Very low31.9Very low99 Ų99137.5 Ų137.553%0.52976%0.761SS.*  cis-156.7147.43.8-145-40.4000112.5
287T31.3Very low31.6Very low138 Ų138134.9 Ų134.985%0.84776%0.759SS**  170.1152.6121.232.50000111.7
288V36.3Very low31.4Very low118 Ų118132.9 Ų132.972%0.71576%0.755SS**  trans-145156.9-158-166.90000112.5
289K33.1Very low31.3Very low194 Ų194133.4 Ų133.484%0.84376%0.757SS**  trans109.6144.2158.6-65.3174.4-175.9174.10116.1
290K30.4Very low31.3Very low176 Ų176130.6 Ų130.677%0.76575%0.751SS**  cis-157.3168.1-16.1-179.9167.3-177.7-164.30110.1
291E28.5Very low31.2Very low155 Ų155129.4 Ų129.472%0.72476%0.755SS**  trans-76.8174.3-173.2-41.7127.3124.600117.4
292A32.3Very low31.1Very low91 Ų91129 Ų12975%0.75277%0.766SS**  trans80.297.814200000121.5
293D27.7Very low31.4Very low162 Ų162132.8 Ų132.887%0.86677%0.772SS**  42124.2109.9-154.6-1.6000121.3
294A29.6Very low30.7Very low94 Ų94133 Ų13378%0.77778%0.776SS**  trans-170.3104.3155.100000113.6
295D29.2Very low30.8Very low139 Ų139133.9 Ų133.974%0.74377%0.772SS**  trans40.6126.2130.1-161.211.8000122.9
296S31.2Very low30.7Very low108 Ų108132.5 Ų132.576%0.75577%0.77SS**  -174.5117.3128.859.10000114.9
297V30.4Very low30.5Very low118 Ų118131.5 Ų131.572%0.71578%0.783SS**  22.2131.9127-165.80000117.5
298D28.9Very low30.3Very low156 Ų156130.1 Ų130.183%0.83479%0.786SS**  -163.1177.862.6-149.4-11.5000115.1
299E31.1Very low29.8Very low162 Ų162127.7 Ų127.776%0.75779%0.785SS**  trans-131.4-177.9-172.6-149.6-111.9106.100114.1
300S29.8Very low30.3Very low106 Ų106124.1 Ų124.174%0.74178%0.781SS**  trans67157.9179.581.10000117.8
301G28.3Very low30.3Very low79 Ų79121.5 Ų121.581%0.81479%0.785SS**  cis147.7118.9-12.600000114
302G28Very low30.3Very low87 Ų87118 Ų11890%0.89779%0.791SS**  trans158.3137.117000000118
303Q33.2Very low30Very low187 Ų187119.1 Ų119.187%0.87479%0.793SS**  trans-85.4153.7-176.5-57.8158.3-27.900114.2
304S31.4Very low30.1Very low110 Ų110116.4 Ų116.477%0.76979%0.787SS**  156.3123.1117.2-71.50000118.6
305K32Very low30Very low170 Ų170121 Ų12174%0.73979%0.789SS**  trans51.3136.5135.7-86-177.2148.2-70.70127
306D30.9Very low29.9Very low134 Ų134120.1 Ų120.172%0.71779%0.789SS**  trans62.8136.5139.8-52.5-18.7000123.1
307G26.6Very low29.8Very low77 Ų77123.9 Ų123.979%0.79480%0.796SS**  trans161.559.1161.500000123.7
308A27Very low29.6Very low110 Ų110122 Ų12291%0.90980%0.801SS**  trans58.2162.5152.200000123.1
309G26.4Very low29.5Very low67 Ų67124.5 Ų124.569%0.69180%0.804SS**  trans-104.2-163.4174.300000113.5
310P44.3Very low30Very low119 Ų119122.3 Ų122.377%0.77380%0.804SS**  -158.6168.776.942.1-22.4000119.6
311S29.8Very low29.8Very low120 Ų120122.2 Ų122.284%0.83981%0.81SS**  trans64.2141.6142.4680000123.3
312G28Very low29.7Very low82 Ų82123 Ų12385%0.84581%0.808SS**  trans155.9104.2161.200000114.2
313S26.6Very low30.3Very low115 Ų115124.1 Ų124.180%0.80480%0.8SS**  trans-137.7143.8-176.562.90000113.8
314S28.8Very low30.1Very low105 Ų105122.5 Ų122.573%0.73480%0.803SS**  trans170.3136.8141-85.90000115.4
315K27.7Very low29.8Very low190 Ų190120.8 Ų120.883%0.82680%0.803SS**  trans55.1143140.4-62.8174.7-179.51740120.7
316V28.3Very low29.4Very low121 Ų121117 Ų11773%0.73381%0.812SS**  cis126.5142.71.5159.80000111.8
317M27.8Very low29.2Very low186 Ų186114.3 Ų114.392%0.91682%0.816SS**  trans92.5137.7165.6-13073.182.300118.7
318G27.3Very low29.3Very low79 Ų79115.6 Ų115.681%0.81482%0.82SS**  trans15099.7165.100000117.3
319K26.1Very low29.4Very low208 Ų208119.1 Ų119.190%0.90482%0.817SS**  trans-148.9166165.9-116.3-169.5179.9-179.30107.1
320P42.1Very low29.5Very low116 Ų116124.9 Ų124.975%0.75383%0.826SS**  cis-131.3177.6-23.240.8-26.2000113
321A24.8Very low28.8Very low104 Ų104125.2 Ų125.286%0.8683%0.825SS**  trans-159.9159.3156.100000112.7
322A27.3Very low28.7Very low95 Ų95125.9 Ų125.979%0.78582%0.82SS**  trans-150.2-178.5171.100000107.1
323P40Very low28.9Very low112 Ų112127.4 Ų127.473%0.72782%0.815SS**  cis-133.4173.1-2.842.5-27.1000114.9
324T28.1Very low29.2Very low152 Ų152129.5 Ų129.593%0.93382%0.815SS**  trans166.9149.3148.725.80000108.6
325G25.5Very low29.6Very low75 Ų75130.4 Ų130.477%0.77382%0.816SS**  cis173.1107.8-11.900000113.1
326G25.1Very low30Very low89 Ų89130.2 Ų130.292%0.91882%0.818SS**  trans89.1136.8168.300000116.9
327G25.1Very low30.8Very low78 Ų78133.4 Ų133.480%0.80482%0.817SS**  trans151.990.2172.900000115.3
328A29.3Very low31.6Very low105 Ų105128.2 Ų128.287%0.86879%0.792SS**  trans24.4122.2163.200000120.9
329Q28.5Very low32.8Very low183 Ų183127 Ų12786%0.85577%0.77SS**  trans-74.6132.3164.2-64.7164.6-80.100111.2
330Q29Very low33.7Very low189 Ų189120.3 Ų120.388%0.88375%0.754SS**  trans-107.6129.8148.1-80.8-171.4-37.500108.4
331V29.2Very low34.1Very low125 Ų125120.8 Ų120.876%0.75874%0.744SS**  trans-96.9102.7-178-174.10000108.3
332N28.8Very low35Very low134 Ų134116.4 Ų116.472%0.71771%0.707SS**  trans-67.2137.8170.6-73.5-20.2000109.7I334N332-I334 PolarHBondContact O-N 3.3Å
333P31.5Very low36Very low114 Ų114115 Ų11574%0.7469%0.686SS**  trans-64.2130.7174.327.3-33.6000109.9V335P333-V335 PolarHBondContact O-N 3.2Å
334I34Very low36.4Very low159 Ų159115.6 Ų115.682%0.81568%0.683SS**  trans-74.697.4177.1-60.6175000108.2N332 Q336N332-I334 PolarHBondContact O-N 3.3Å; I334-Q336 PolarHBondContact O-N 2.91Å
335V37.3Very low37.4Very low124 Ų124112.8 Ų112.875%0.75266%0.659SS**  trans-63119.8162.8-179.20000107.4P333 R337P333-V335 PolarHBondContact O-N 3.2Å; V335-R337 VanDerWaalsContact C-N 3.29Å; V335-R337 PolarHBondContact O-N 3.34Å
336Q35.8Very low38.6Very low186 Ų186114 Ų11487%0.86965%0.648SS**  trans-70.787174.7-71-174.4-12.500109.5I334I334-Q336 PolarHBondContact O-N 2.91Å
337R43.5Very low39.6Very low188 Ų188113.8 Ų113.871%0.70962%0.62SS**PPolyproline II helixtrans-67.6135.9174.1-160.8-178.5-169.2105.97.2109.4V335 D343V335-R337 VanDerWaalsContact C-N 3.29Å; V335-R337 PolarHBondContact O-N 3.34Å; R337-D343 IonicContact CZ-OD2 3.9Å; R337-D343 IonicContact NE-OD2 3.95Å; R337-D343 PolarHBondContact NE-OD2 2.89Å; R337-D343 IonicContact NH2-OD1 2.77Å; R337-D343 IonicContact NH2-OD2 3.37Å; R337-D343 PolarHBondContact NH2-OD2 3Å
338L45.3Very low40.5Very low77 Ų77112.3 Ų112.340%0.40360%0.6SS.*PPolyproline II helixtrans-57.3154.9169-71.2168.7000110.6A340 A348 F676L338-A340 PolarHBondContact O-N 2.78Å; L338-A348 HydrophobicContact CD1-CB 4.39Å; L338-F676 HydrophobicContact CD2-CE2 4.37Å
339P52Low41.3Very low54 Ų54110.8 Ų110.835%0.35157%0.574SS.*PPolyproline II helixtrans-49.2129.1172.8-28.134.9000111.3F341 L342P339-F341 PolarHBondContact O-N 3.2Å; P339-L342 PolarHBondContact O-N 3.38Å
340A46.4Very low42.1Very low68 Ų68104.4 Ų104.456%0.56255%0.549SS*.THydrogen-bonded Turntrans-62-5.3-168.200000115.4L338 N344L338-A340 PolarHBondContact O-N 2.78Å; A340-N344 PolarHBondContact O-ND2 2.82Å
341F49.1Very low42.9Very low125 Ų12598 Ų9855%0.54852%0.524SS..THydrogen-bonded Turntrans-81.6-39.2169.9-171.4-96.3000112.8P339 D343 N344 H345 M679P339-F341 PolarHBondContact O-N 3.2Å; F341-D343 PolarHBondContact O-N 3.02Å; F341-N344 WeakPolarHBondContact O-CB 3.46Å; F341-N344 PolarHBondContact O-N 3.3Å; F341-N344 VanDerWaalsContact O-N 3.14Å; F341-H345 AromaticContact CE1-NE2 3.99Å; F341-H345 AromaticContact CZ-NE2 3.93Å; F341-M679 HydrophobicContact CD1-CE 4.44Å
342L43.8Very low43.8Very low13 Ų1396.1 Ų96.17%0.06851%0.508CS..G310 helixtrans-66.1-31.4173.2-76.8167000111.7P339 N344 H345 T675 F676 M679P339-L342 PolarHBondContact O-N 3.38Å; L342-N344 PolarHBondContact O-N 2.94Å; L342-H345 PolarHBondContact O-N 2.97Å; L342-T675 HydrophobicContact CD2-CG2 4.43Å; L342-F676 HydrophobicContact CD1-CD2 4.09Å; L342-M679 HydrophobicContact CD1-CE 4.14Å; L342-M679 HydrophobicContact CD1-SD 3.98Å; L342-M679 HydrophobicContact CD2-SD 3.58Å; L342-M679 VanDerWaalsContact CD2-SD 3.58Å; L342-M679 HydrophobicContact CG-CE 3.95Å; L342-M679 HydrophobicContact CG-SD 3.62Å
343D48.8Very low44.8Very low65 Ų6593.9 Ų93.935%0.34849%0.493SS..G310 helixtrans-64.5-19174.4-150.218.9000112.9R337 F341R337-D343 IonicContact CZ-OD2 3.9Å; R337-D343 IonicContact NE-OD2 3.95Å; R337-D343 PolarHBondContact NE-OD2 2.89Å; R337-D343 IonicContact NH2-OD1 2.77Å; R337-D343 IonicContact NH2-OD2 3.37Å; R337-D343 PolarHBondContact NH2-OD2 3Å; F341-D343 PolarHBondContact O-N 3.02Å
344N47.8Very low45.8Very low125 Ų12593 Ų9367%0.66848%0.479SS*.G310 helixtrans-93.22.7177.5-75.8-32.5000113.9A340 F341 L342A340-N344 PolarHBondContact O-ND2 2.82Å; F341-N344 WeakPolarHBondContact O-CB 3.46Å; F341-N344 PolarHBondContact O-N 3.3Å; F341-N344 VanDerWaalsContact O-N 3.14Å; L342-N344 PolarHBondContact O-N 2.94Å
345H49.6Very low46.6Very low93 Ų9390.2 Ų90.243%0.43146%0.463SS..SBendtrans-123.9137.3177.5-70.7-2.7000110.8F341 L342 Y347F341-H345 AromaticContact CE1-NE2 3.99Å; F341-H345 AromaticContact CZ-NE2 3.93Å; L342-H345 PolarHBondContact O-N 2.97Å; H345-Y347 HydrophobicContact CB-CD2 3.98Å; H345-Y347 HydrophobicContact CB-CE2 4.49Å; H345-Y347 PolarHBondContact O-N 2.91Å
346N50.2Low47.2Very low101 Ų10190 Ų9054%0.5445%0.453SS..THydrogen-bonded Turntrans-72.67.1-165.2-14429.9000115.3A348N346-A348 VanDerWaalsContact C-N 3.34Å
347Y47.5Very low48.1Very low84 Ų8483.3 Ų83.333%0.32942%0.424SS..THydrogen-bonded Turntrans-71.9-23.9177.7-63.3-73.4000113.9H345 E671 F672H345-Y347 HydrophobicContact CB-CD2 3.98Å; H345-Y347 HydrophobicContact CB-CE2 4.49Å; H345-Y347 PolarHBondContact O-N 2.91Å; Y347-E671 HydrophobicContact CE1-CB 4.15Å; Y347-E671 HydrophobicContact CE1-CG 3.93Å; Y347-E671 VanDerWaalsContact CE1-OE2 3.29Å; Y347-E671 WeakPolarHBondContact CE1-OE2 3.25Å; Y347-E671 PolarHBondContact OH-OE2 3.05Å; Y347-F672 HydrophobicContact CD1-CB 4.37Å; Y347-F672 HydrophobicContact CG-CB 4.46Å
348A43.4Very low48.7Very low46 Ų4680.5 Ų80.538%0.3842%0.422SS..SBendtrans-91-14.9-179.300000113.6L338 N346L338-A348 HydrophobicContact CD1-CB 4.39Å; N346-A348 VanDerWaalsContact C-N 3.34Å
349K45.5Very low49Very low74 Ų7481.2 Ų81.232%0.32244%0.439SS..  trans-85.9115.9178.7-69.9-154.8177.2-163.70111Q353 D357K349-Q353 HydrophobicContact CB-CB 4.36Å; K349-Q353 HydrophobicContact CD-CB 4.42Å; K349-Q353 HydrophobicContact CD-CG 4.13Å; K349-Q353 HydrophobicContact CG-CB 4.42Å; K349-Q353 HydrophobicContact CG-CG 4.21Å; K349-D357 IonicContact NZ-OD2 3.81Å; K349-D357 PolarHBondContact NZ-OD2 2.92Å
350S46.2Very low49.1Very low49 Ų4982 Ų8234%0.34345%0.45SS..  trans-63.9149155.2-76.70000109.5M352 Q353S350-M352 PolarHBondContact O-N 3.41Å; S350-Q353 VanDerWaalsContact O-CB 3.29Å; S350-Q353 WeakPolarHBondContact O-CB 3.44Å; S350-Q353 PolarHBondContact O-N 3.37Å
351P46.2Very low48.8Very low53 Ų5381.7 Ų81.734%0.34445%0.453SS..Hα-helixtrans-51.8-32.7174.7-29.335.7000114.1Q353 E354 E355P351-Q353 VanDerWaalsContact C-N 3.31Å; P351-Q353 PolarHBondContact O-N 2.62Å; P351-E354 PolarHBondContact O-N 2.88Å; P351-E354 VanDerWaalsContact O-N 3.13Å; P351-E355 PolarHBondContact O-N 3.06Å; P351-E355 VanDerWaalsContact O-N 3.12Å
352M46.5Very low48.8Very low86 Ų8680.9 Ų80.942%0.42446%0.458SS..Hα-helixtrans-53.5-43.8171-73.6-178.262.100113.1S350 E354 E355 E356 I660 R664S350-M352 PolarHBondContact O-N 3.41Å; M352-E354 PolarHBondContact O-N 3.46Å; M352-E355 PolarHBondContact O-N 2.84Å; M352-E356 WeakPolarHBondContact O-CB 3.31Å; M352-E356 PolarHBondContact O-N 2.81Å; M352-I660 HydrophobicContact CG-CD1 4.22Å; M352-I660 HydrophobicContact CG-CG2 4.14Å; M352-R664 PolarHBondContact SD-NH2 3.2Å
353Q51.1Low48.3Very low88 Ų8883.2 Ų83.241%0.41149%0.486SS..Hα-helixtrans-63.3-32.3-179.5-168.773.161.900111.3K349 S350 P351 D357K349-Q353 HydrophobicContact CB-CB 4.36Å; K349-Q353 HydrophobicContact CD-CB 4.42Å; K349-Q353 HydrophobicContact CD-CG 4.13Å; K349-Q353 HydrophobicContact CG-CB 4.42Å; K349-Q353 HydrophobicContact CG-CG 4.21Å; S350-Q353 VanDerWaalsContact O-CB 3.29Å; S350-Q353 WeakPolarHBondContact O-CB 3.44Å; S350-Q353 PolarHBondContact O-N 3.37Å; P351-Q353 VanDerWaalsContact C-N 3.31Å; P351-Q353 PolarHBondContact O-N 2.62Å; Q353-D357 PolarHBondContact NE2-OD1 3.03Å; Q353-D357 WeakPolarHBondContact O-CB 3.49Å; Q353-D357 PolarHBondContact O-N 2.88Å
354E52Low47.8Very low95 Ų9591.6 Ų91.644%0.44451%0.513SS..Hα-helixtrans-81.2-39.4-178.5-162158.9-137.500111.9P351 M352 L358P351-E354 PolarHBondContact O-N 2.88Å; P351-E354 VanDerWaalsContact O-N 3.13Å; M352-E354 PolarHBondContact O-N 3.46Å; E354-L358 WeakPolarHBondContact O-CB 3.27Å; E354-L358 WeakPolarHBondContact O-CD1 3.18Å; E354-L358 WeakPolarHBondContact O-CG 3.43Å; E354-L358 PolarHBondContact O-N 2.93Å
355E51Low47Very low100 Ų10091.5 Ų91.547%0.46752%0.521SS..Hα-helixtrans-67.8-35.6171.4-163.2175.2-172.700111.7P351 M352 A359 K656P351-E355 PolarHBondContact O-N 3.06Å; P351-E355 VanDerWaalsContact O-N 3.12Å; M352-E355 PolarHBondContact O-N 2.84Å; E355-A359 WeakPolarHBondContact O-CB 3.42Å; E355-A359 PolarHBondContact O-N 3.44Å; E355-K656 IonicContact OE1-NZ 3.74Å; E355-K656 PolarHBondContact OE1-NZ 3.42Å; E355-K656 IonicContact OE2-NZ 3.01Å
356E50.3Low46.2Very low120 Ų12098.8 Ų98.856%0.56155%0.545SS*.Hα-helixtrans-75.3-43.1178.6-169.4168-157.200112.9M352 L358 A359 A360M352-E356 WeakPolarHBondContact O-CB 3.31Å; M352-E356 PolarHBondContact O-N 2.81Å; E356-L358 VanDerWaalsContact C-N 3.26Å; E356-L358 PolarHBondContact O-N 3.36Å; E356-A359 PolarHBondContact O-N 2.81Å; E356-A360 VanDerWaalsContact O-CB 3.23Å; E356-A360 WeakPolarHBondContact O-CB 3.28Å; E356-A360 PolarHBondContact O-N 3.4Å
357D53.9Low45.2Very low45 Ų45100.5 Ų100.524%0.24156%0.559CS.*Hα-helixtrans-61.2-36.1173.4-73.7-10.4000111.5K349 Q353 G361 V362K349-D357 IonicContact NZ-OD2 3.81Å; K349-D357 PolarHBondContact NZ-OD2 2.92Å; Q353-D357 PolarHBondContact NE2-OD1 3.03Å; Q353-D357 WeakPolarHBondContact O-CB 3.49Å; Q353-D357 PolarHBondContact O-N 2.88Å; D357-G361 PolarHBondContact O-N 3.05Å; D357-V362 PolarHBondContact O-N 2.67Å
358L56.3Low44.5Very low129 Ų129101.4 Ų101.468%0.67558%0.584SS**Hα-helixtrans-70.2-45175.2-75.1171.9000111.8E354 E356 A360 G361E354-L358 WeakPolarHBondContact O-CB 3.27Å; E354-L358 WeakPolarHBondContact O-CD1 3.18Å; E354-L358 WeakPolarHBondContact O-CG 3.43Å; E354-L358 PolarHBondContact O-N 2.93Å; E356-L358 VanDerWaalsContact C-N 3.26Å; E356-L358 PolarHBondContact O-N 3.36Å; L358-A360 VanDerWaalsContact C-N 3.3Å; L358-A360 PolarHBondContact O-N 2.68Å; L358-G361 PolarHBondContact O-N 2.92Å; L358-G361 VanDerWaalsContact O-N 3.1Å
359A52.3Low44Very low92 Ų92102.3 Ų102.376%0.7660%0.598SS**Hα-helixtrans-65.2-32.4175.500000112.7E355 E356 G361E355-A359 WeakPolarHBondContact O-CB 3.42Å; E355-A359 PolarHBondContact O-N 3.44Å; E356-A359 PolarHBondContact O-N 2.81Å; A359-G361 VanDerWaalsContact C-N 3.25Å; A359-G361 PolarHBondContact O-N 3.09Å
360A53.2Low43.4Very low70 Ų70104.2 Ų104.258%0.57962%0.618SS**THydrogen-bonded Turntrans-78.2-3.8173.500000113.8E356 L358 V362E356-A360 VanDerWaalsContact O-CB 3.23Å; E356-A360 WeakPolarHBondContact O-CB 3.28Å; E356-A360 PolarHBondContact O-N 3.4Å; L358-A360 VanDerWaalsContact C-N 3.3Å; L358-A360 PolarHBondContact O-N 2.68Å; A360-V362 VanDerWaalsContact C-N 3.32Å; A360-V362 HydrophobicContact CB-CG2 4Å; A360-V362 PolarHBondContact O-N 2.93Å
361G39.9Very low42.9Very low62 Ų62107.4 Ų107.464%0.63964%0.638SS**THydrogen-bonded Turntrans71.517.417600000115.2D357 L358 A359 G363D357-G361 PolarHBondContact O-N 3.05Å; L358-G361 PolarHBondContact O-N 2.92Å; L358-G361 VanDerWaalsContact O-N 3.1Å; A359-G361 VanDerWaalsContact C-N 3.25Å; A359-G361 PolarHBondContact O-N 3.09Å; G361-G363 PolarHBondContact O-N 3.06Å
362V48.6Very low42.2Very low108 Ų108113.1 Ų113.166%0.65566%0.66SS**  trans-83.340.4-175.1-162.10000111.7D357 A360 R364D357-V362 PolarHBondContact O-N 2.67Å; A360-V362 VanDerWaalsContact C-N 3.32Å; A360-V362 HydrophobicContact CB-CG2 4Å; A360-V362 PolarHBondContact O-N 2.93Å; V362-R364 PolarHBondContact O-N 2.91Å
363G33.7Very low41.5Very low62 Ų62114 Ų11464%0.63967%0.672SS**  trans-81.9110.9178.800000112.4G361G361-G363 PolarHBondContact O-N 3.06Å
364R38.3Very low41.2Very low242 Ų242114.8 Ų114.891%0.91369%0.685SS**PPolyproline II helixtrans-76.7124161.8-77.4-172.4173.9-172-0.6109.7V362 R366V362-R364 PolarHBondContact O-N 2.91Å; R364-R366 PolarHBondContact O-N 2.92Å
365S31Very low40Very low122 Ų122119.9 Ų119.985%0.85371%0.706SS**PPolyproline II helixtrans-54.8119.3179.1-50.40000112.2
366R32.8Very low38.8Very low247 Ų247120.4 Ų120.493%0.93272%0.72SS**PPolyproline II helixtrans-77.5119.3165.7-77.3-174.3172.4-179.3-0.5109.2R364R364-R366 PolarHBondContact O-N 2.92Å
367T30.4Very low38.2Very low136 Ų136121.3 Ų121.383%0.83473%0.729SS**PPolyproline II helixtrans-67.9131.3165.147.60000109.5G369T367-G369 PolarHBondContact O-N 2.7Å
368A31.2Very low37.2Very low103 Ų103125.8 Ų125.885%0.85175%0.753SS**PPolyproline II helixtrans-67.3131177.400000111.2
369G32.8Very low36.1Very low65 Ų65126.9 Ų126.967%0.6776%0.755SS**PPolyproline II helixtrans-83.3154.2166.400000111.1T367T367-G369 PolarHBondContact O-N 2.7Å
370P33.2Very low35.2Very low114 Ų114130.4 Ų130.474%0.7476%0.761SS**PPolyproline II helixtrans-72.5152-178.630.7-35.4000112.4
371P36.6Very low34.3Very low117 Ų117134.1 Ų134.176%0.7677%0.766SS**PPolyproline II helixtrans-73154.5173.932.3-35.6000111.6
372Q31.4Very low34Very low172 Ų172141.1 Ų141.180%0.80478%0.779SS**  trans-136.3160171.5-76.4-60.3-76.700110.6
373P32.3Very low33.3Very low105 Ų105142.2 Ų142.268%0.68278%0.781SS**  trans-95.7175.1-149.6-4.926.1000115.6
374P43.2Very low33.4Very low105 Ų105147.5 Ų147.568%0.68279%0.789SS**  trans-88.1171.9174.136.2-34.7000114.1
375F26.6Very low32.9Very low202 Ų202143 Ų14389%0.88678%0.784SS**  trans72.8154.9-175-60.3-86.9000114.2
376S27.7Very low33.2Very low110 Ų110145.1 Ų145.177%0.76978%0.78SS**  cis-134.8173.313.1-169.10000113.3
377D36.9Very low33.2Very low140 Ų140141.7 Ų141.775%0.74978%0.775SS**  trans-76.8177.2160.3-124.7-29.4000111.9
378D32Very low33.4Very low139 Ų139142.4 Ų142.474%0.74377%0.769SS**  trans84.4140.8161.9-60.1-40.3000121.6
379E34.7Very low33.3Very low151 Ų151142.1 Ų142.171%0.70677%0.766SS**  trans53.7127.8168.6-48.9-52163.500123.4
380D33.7Very low33.1Very low167 Ų167143.6 Ų143.689%0.89377%0.772SS**  -163.894.1122.3-111.8-9.3000110.5
381E32.9Very low32.8Very low148 Ų148141.4 Ų141.469%0.69277%0.77SS**  trans-49.3150.5174.6-172.1171-116.200116.2
382F33.9Very low32.4Very low209 Ų209142.1 Ų142.192%0.91778%0.778SS**  trans-156.490.8163.8-97.3-73000112
383D33.6Very low32.2Very low130 Ų130138.2 Ų138.270%0.69578%0.775SS**  trans-72.5174.9157.5-64.9-58.6000110.6
384E35.5Very low32Very low173 Ų173139 Ų13981%0.80878%0.783SS**  cis-150.8-178.318.3-134171.1-151.900106.2
385D29.4Very low31.3Very low149 Ų149137.9 Ų137.980%0.79778%0.783SS**  cis-88.7-173.4-3.5-28.8-109.7000112.5
386E37.3Very low31.3Very low166 Ų166133.6 Ų133.678%0.77678%0.778SS**  cis75.1147.714-53.4-145.9139.400119.1
387E32.8Very low31.3Very low175 Ų175132.7 Ų132.782%0.81877%0.772SS**  cis-117.51430.1-73.9-178.9107.600110.7
388E32.8Very low31Very low151 Ų151136.8 Ų136.871%0.70678%0.777SS**  72.3130.571.6-106-66.1178.900117A390E388-A390 PolarHBondContact OE2-N 2.94Å
389A29.9Very low30.8Very low97 Ų97138.6 Ų138.680%0.80278%0.778SS**  trans177.276.9146.600000112.3
390A28.3Very low30.5Very low95 Ų95140 Ų14079%0.78578%0.777SS**  trans10.9152.8153.800000123.6E388E388-A390 PolarHBondContact OE2-N 2.94Å
391G27.6Very low30.2Very low68 Ų68141.3 Ų141.370%0.70177%0.769SS**  trans-147.5-31.5-18000000122
392S28.4Very low30Very low133 Ų133143.6 Ų143.693%0.9378%0.777SS**  trans64.5-176.9-177.984.90000117.5
393A27.1Very low29.5Very low90 Ų90138.1 Ų138.174%0.74477%0.771SS**  trans-141.7157.5-164.500000114.4
394S27.3Very low29.2Very low121 Ų121136.7 Ų136.785%0.84677%0.771SS**  trans167.6162.2133.252.60000115.6
395A28Very low28.9Very low82 Ų82135.9 Ų135.968%0.67877%0.771SS**  trans67.299.5145.400000123
396S27Very low28.9Very low111 Ų111140.5 Ų140.578%0.77678%0.777SS**  84.7126.4113.1-62.10000123.9
397S29.2Very low28.4Very low92 Ų92137.8 Ų137.864%0.64378%0.777SS**  trans77.8149.1161.290.10000116.5
398R30.6Very low28.2Very low226 Ų226140.1 Ų140.185%0.85378%0.778SS**  cis-150.9173.113.7-141.5160.6-61.11753.9112.5
399F27.2Very low28.1Very low176 Ų176138.9 Ų138.977%0.77278%0.781SS**  trans-64.8149.8179.6-81.8-124.8000112.2
400R27.7Very low27.9Very low180 Ų180138 Ų13868%0.67978%0.781SS**  cis99.7109.527.5-173.2-174.3-168.2-160.87.9113.9
401R26.8Very low28Very low196 Ų196145 Ų14574%0.7479%0.787SS**  trans71.9162.4169.1-68.2177.2-62.8-169.63.2116.8
402K29Very low28.1Very low195 Ų195148.4 Ų148.485%0.84879%0.794SS**  cis-177.4167-30.2-165.6179.2-174.1-173.40107.4
403A24.8Very low28.3Very low95 Ų95145.8 Ų145.879%0.78579%0.788SS**  trans73.6163162.900000116.9
404S25.9Very low28.6Very low100 Ų100148.6 Ų148.670%0.69980%0.796SS**  cis-161.9149.8-5.5172.50000113.5
405L29.1Very low28.7Very low156 Ų156146 Ų14682%0.81779%0.789SS**  trans2.1131154-63154.1000122.3
406R30Very low29.1Very low245 Ų245151.4 Ų151.493%0.92580%0.802SS**  170.3128.4120.1-92.8170.3175.2-173.8-1.7109.1
407S27.8Very low29.8Very low110 Ų110155.2 Ų155.277%0.76981%0.808SS**  88.4110.655.1-175.50000114.8
408R28.6Very low30.5Very low224 Ų224155.3 Ų155.385%0.84581%0.809SS**  -179.9120.8129.2-100.1-179.2102.1158.17.6115.9
409T28.8Very low31Very low125 Ų125150.9 Ų150.977%0.76780%0.798SS**  trans38.5121.3137.159.30000123.3
410G27.4Very low32Very low78 Ų78149.2 Ų149.280%0.80480%0.795SS**  131.1113.9105.700000122.6
411R30Very low32.9Very low242 Ų242144.1 Ų144.191%0.91379%0.791SS**  trans93.8102.7135.3-152.5177.1-164.4-170.14.2122.6
412V29.9Very low33.8Very low140 Ų140140.4 Ų140.485%0.84879%0.785SS**  trans66.1125.1139.4179.30000121.2
413G31.3Very low34.5Very low77 Ų77136.3 Ų136.379%0.79477%0.773SS**  trans-170.5129157.500000112.2
414T33.3Very low35.6Very low149 Ų149136.5 Ų136.591%0.91476%0.764SS**  trans-90.4159.317348.90000110.8
415G29.7Very low36.6Very low67 Ų67137.5 Ų137.569%0.69176%0.761SS**  cis171.6-148.35.800000109.6
416M37.4Very low37.4Very low196 Ų196133.1 Ų133.197%0.96675%0.747SS**  trans76.667169.8-57.6-179.9156.200119.9
417E41.6Very low38.2Very low190 Ų190128.2 Ų128.289%0.88874%0.735SS**SBendtrans-147.2-12.9154-140.3165.8-144.300115.7
418S43.5Very low39Very low95 Ų95131.1 Ų131.166%0.66473%0.733SS**SBendtrans-88.8-6.9-174.346.40000116.3
419Q40.6Very low39.6Very low133 Ų133126.7 Ų126.762%0.62173%0.726SS**SBendtrans-81.6-21.3-167.6-152.166.928.900114.9
420I48Very low40.3Very low141 Ų141129 Ų12972%0.72373%0.726SS**Hα-helixtrans-77.9-34-171.8-61.4175.8000111.8L422I420-L422 PolarHBondContact O-N 3.3Å
421A47.1Very low41.1Very low72 Ų72133.6 Ų133.660%0.59572%0.723SS**Hα-helixtrans-68.9-30.5-175.300000114.1
422L46.4Very low41.6Very low118 Ų118130.1 Ų130.162%0.61872%0.717SS**Hα-helixtrans-77.3-33.6-174.2-77.3165.4000113.6I420 V424I420-L422 PolarHBondContact O-N 3.3Å; L422-V424 VanDerWaalsContact C-N 3.33Å; L422-V424 PolarHBondContact O-N 3.47Å
423N43.4Very low41.9Very low109 Ų109127.6 Ų127.658%0.58371%0.711SS**Hα-helixtrans-70.5-28-177.7-72.1-13.2000113A426N423-A426 PolarHBondContact O-N 2.78Å
424V48.8Very low42.3Very low99 Ų99132.1 Ų132.160%0.671%0.712SS**Hα-helixtrans-74.1-28.2-178.4-177.60000112.5L422L422-V424 VanDerWaalsContact C-N 3.33Å; L422-V424 PolarHBondContact O-N 3.47Å
425L46.4Very low42.8Very low122 Ų122136.4 Ų136.464%0.63971%0.711SS**Hα-helixtrans-73.4-36.9172.8-95.474.8000112.2E427 K428L425-E427 PolarHBondContact O-N 3.24Å; L425-K428 PolarHBondContact O-N 3.4Å
426A45.7Very low43Very low63 Ų63142.6 Ų142.652%0.52172%0.719SS.*Hα-helixtrans-64-35.8-175.600000113.5N423N423-A426 PolarHBondContact O-N 2.78Å
427E46Very low42.7Very low143 Ų143141.5 Ų141.567%0.66872%0.717SS**Hα-helixtrans-68.4-36177.3-87.6-114.6110.900113.5L425 K430L425-E427 PolarHBondContact O-N 3.24Å; E427-K430 PolarHBondContact O-N 2.82Å
428K44.2Very low42.1Very low170 Ų170135.7 Ų135.774%0.73971%0.708SS**Hα-helixtrans-69.6-45.7-177.6-86.1-167171.1-172.70112.6L425 K430 K431L425-K428 PolarHBondContact O-N 3.4Å; K428-K430 PolarHBondContact O-N 3.1Å; K428-K430 VanDerWaalsContact O-N 3.13Å; K428-K431 PolarHBondContact O-N 2.88Å
429L42.7Very low41.6Very low132 Ų132137.1 Ų137.169%0.69171%0.713SS**Hα-helixtrans-60.5-23.6179.2-83.2161.8000113.2
430K42.4Very low41.1Very low174 Ų174137.4 Ų137.476%0.75772%0.719SS**Hα-helixtrans-81.6-8.3-178.8-147.9172-174.2177.80114.7E427 K428E427-K430 PolarHBondContact O-N 2.82Å; K428-K430 PolarHBondContact O-N 3.1Å; K428-K430 VanDerWaalsContact O-N 3.13Å
431K45Very low40.3Very low174 Ų174137.4 Ų137.476%0.75773%0.725SS**Hα-helixtrans-101.4-12.6179.7-92.6175176.9161.60115.3K428K428-K431 PolarHBondContact O-N 2.88Å
432E39.8Very low40Very low168 Ų168139.4 Ų139.479%0.78573%0.732SS**Hα-helixtrans-93.4-27.1-178.9-157.5154.5-172.200112.2Q434E432-Q434 PolarHBondContact O-N 3.3Å
433A37.8Very low39Very low88 Ų88141.7 Ų141.773%0.72774%0.744SS**THydrogen-bonded Turntrans-76.722.7179.800000115.8
434Q38.3Very low38.4Very low171 Ų171142 Ų14280%0.79975%0.754SS**THydrogen-bonded Turntrans-131.219.9179.8-77.7-161.1-24.600114.6E432E432-Q434 PolarHBondContact O-N 3.3Å
435R43.5Very low37.6Very low239 Ų239143.2 Ų143.290%0.90276%0.762SS**SBendtrans-136.158.1174.3-72.5-163.5175.3-146.1-1.1114.6
436K34.2Very low36.7Very low198 Ų198149 Ų14986%0.86178%0.776SS**  trans-156.5116.2154.6-106.8174.9-177.6179.90109.2
437D31.5Very low36.1Very low172 Ų172151.7 Ų151.792%0.9279%0.785SS**  trans167.7148.3143-84.8-15.2000109.9
438G29.6Very low35.4Very low68 Ų68154.3 Ų154.370%0.70180%0.798SS**  trans101.780.9-171.500000112.9
439V32.8Very low34.6Very low125 Ų125150 Ų15076%0.75880%0.801SS**  88.496.962.1178.10000114
440N30.6Very low34Very low140 Ų140155.3 Ų155.375%0.74981%0.812SS**  trans63.6151.8136.3-59.9-5.9000124.8
441T29.8Very low33.4Very low141 Ų141153.7 Ų153.787%0.86582%0.817SS**  trans80149.815639.70000120.4
442P40.8Very low32.6Very low113 Ų113149.1 Ų149.173%0.73482%0.819SS**  trans-129.7168-14842.4-26.5000116.7
443L27.1Very low32Very low167 Ų167144.7 Ų144.787%0.87482%0.819SS**  trans-138.7123.5164.9-65.4172000107.8
444S28.9Very low31.5Very low114 Ų114148.3 Ų148.380%0.79782%0.824SS**  89.5120.653.7-168.80000112.7
445V33.7Very low30.9Very low125 Ų125146.1 Ų146.176%0.75883%0.826SS**  trans-89143.6-178.2174.30000110.4T447V445-T447 HydrophobicContact CG1-CG2 4.31Å
446R26.5Very low30.3Very low245 Ų245142.1 Ų142.193%0.92582%0.821SS**  trans-145.9154.8155.5-114.3179.1-174.5-165.4-0.1112.7
447T32.9Very low30Very low119 Ų119139.5 Ų139.573%0.7382%0.822SS**  trans-129.5113.8-162.949.70000111.9V445V445-T447 HydrophobicContact CG1-CG2 4.31Å
448E31.1Very low29.8Very low198 Ų198137 Ų13793%0.92582%0.818SS**  trans-145145.8163.6-64.6-175.3-158.800108.8
449G28Very low29.7Very low78 Ų78138.8 Ų138.880%0.80483%0.826SS**  cis14054.2-6.300000115.1
450R30.9Very low29.4Very low245 Ų245138.1 Ų138.193%0.92583%0.826SS**  trans-143.6139171.1-146.2162.8-172166.62.4116.5
451T28.8Very low29.3Very low140 Ų140139.5 Ų139.586%0.85983%0.829SS**  trans-69.5153.2-17134.50000116.3
452G29.1Very low29.5Very low78 Ų78138.5 Ų138.580%0.80482%0.824SS**  trans-178.896.6164.500000113
453G26.2Very low29Very low75 Ų75137.8 Ų137.877%0.77382%0.822SS**  trans-88.1-168.8162.200000110.9
454I27.8Very low29.4Very low164 Ų164135.8 Ų135.884%0.84182%0.819SS**  cis-152.6144.66.1-55.3168.3000106.7
455C25.9Very low29.5Very low124 Ų124136.5 Ų136.584%0.83882%0.819SS**  trans171.6148134.5-980000113.1
456I29.8Very low30Very low155 Ų155135.7 Ų135.780%0.79582%0.816SS**  trans-130127.9174.8-55.8169.4000107.4
457T28.3Very low30.1Very low144 Ų144130 Ų13088%0.88381%0.814SS**  trans-142.8135.1155.441.50000109.8
458S27.8Very low30.1Very low119 Ų119131.5 Ų131.583%0.83282%0.817SS**  trans-107.9143.3175.6-56.30000109.8
459A27.8Very low30Very low106 Ų106131.5 Ų131.588%0.87682%0.818SS**  trans-141.8151.7165.200000108.8
460S26.3Very low30.3Very low110 Ų110133.5 Ų133.577%0.76982%0.819SS**  trans-148.2152-161.155.10000114
461Q27.4Very low30.4Very low170 Ų170128 Ų12879%0.79481%0.813SS**  trans66.9164.2166.6-62.3-79.2-1600115.9
462P33.5Very low30.7Very low119 Ų119128.8 Ų128.877%0.77381%0.812SS**  cis-120.8-178-7.940-26.1000114
463S31Very low31Very low98 Ų98130 Ų13069%0.68580%0.803SS**  trans-107.4158172.7550000113.1
464P35Very low31.3Very low126 Ų126131.3 Ų131.382%0.81881%0.808SS**  trans-112.7144.6158.736.4-27.2000113.5
465T31.1Very low31.6Very low129 Ų129128.7 Ų128.779%0.79180%0.803SS**  trans-119.2-176.1165.552.40000108.5
466P44.3Very low32.2Very low108 Ų108131.6 Ų131.670%0.70181%0.805SS**  -118.8167.4-58.136.5-24.8000111.4
467S28.2Very low32.6Very low125 Ų125131.2 Ų131.287%0.87480%0.803SS**  trans-135.1142.8169.4-65.10000111.2
468N32.9Very low33.2Very low150 Ų150128.5 Ų128.580%0.80280%0.803SS**  trans-106137.5-176.8-30.9-69.8000110.4
469E30.6Very low33.5Very low199 Ų199127.8 Ų127.893%0.9380%0.799SS**  trans-165.7156.1138.1-113.2173.615100109.8
470S32.9Very low33.4Very low119 Ų119127.5 Ų127.583%0.83280%0.796SS**  trans-122.3130.2-177.6-59.40000110.2
471T34.8Very low33.5Very low129 Ų129130.3 Ų130.379%0.79180%0.795SS**  trans-13395.6167-470000108.2T473T471-T473 HydrophobicContact CG2-CG2 4.28Å
472D33.9Very low33.6Very low158 Ų158129.9 Ų129.985%0.84580%0.798SS**  trans-81.5125173.1-166.7-2.8000109.2
473T34.6Very low33.5Very low102 Ų102127.7 Ų127.763%0.62679%0.786SS**  trans-140.6105.6174.851.10000109.3T471 S475T471-T473 HydrophobicContact CG2-CG2 4.28Å; T473-S475 PolarHBondContact O-N 2.8Å
474A32.3Very low33.5Very low104 Ų104129.1 Ų129.186%0.8679%0.793SS**  trans-51.4127.217600000111
475S34.7Very low33.2Very low108 Ų108131.2 Ų131.276%0.75580%0.796SS**  trans-122111.6175.3-67.40000109.1T473 I477T473-S475 PolarHBondContact O-N 2.8Å; S475-I477 PolarHBondContact O-N 2.96Å
476E39Very low33.1Very low186 Ų186136.8 Ų136.887%0.86980%0.802SS**  trans-60.9126.5164-61.8177.210400109.7
477I37.3Very low32.4Very low146 Ų146136.7 Ų136.775%0.74981%0.805SS**  trans-179.4127.9139.8-94.8150.9000107.3S475 S479S475-I477 PolarHBondContact O-N 2.96Å; I477-S479 PolarHBondContact O-N 3.04Å
478G42.6Very low32.6Very low87 Ų87136.8 Ų136.890%0.89780%0.802SS**  trans-69.3117.7-177.700000112.7
479S33.1Very low32.4Very low105 Ų105134.5 Ų134.573%0.73480%0.804SS**  trans-154.673167.8-172.40000111.4I477 F481I477-S479 PolarHBondContact O-N 3.04Å; S479-F481 VanDerWaalsContact C-N 3.34Å; S479-F481 PolarHBondContact O-N 3.22Å
480A26.5Very low32.3Very low100 Ų100136.8 Ų136.883%0.82680%0.804SS**  trans-93.752.3176.700000112N482A480-N482 VanDerWaalsContact C-N 3.3Å; A480-N482 PolarHBondContact O-N 3.22Å
481F27Very low32.2Very low169 Ų169137 Ų13774%0.74181%0.805SS**  trans-81.371-179.1-163.6-91.6000111.6S479 S483S479-F481 VanDerWaalsContact C-N 3.34Å; S479-F481 PolarHBondContact O-N 3.22Å; F481-S483 WeakPolarHBondContact CE1-OG 3.39Å; F481-S483 PolarHBondContact O-N 2.67Å; F481-S483 VanDerWaalsContact O-N 3.11Å
482N30.2Very low32.1Very low160 Ų160140.3 Ų140.386%0.85681%0.812SS**  trans-83.280.7176-88.5-18.3000111.6A480 P484A480-N482 VanDerWaalsContact C-N 3.3Å; A480-N482 PolarHBondContact O-N 3.22Å; N482-P484 WeakPolarHBondContact O-CD 3.47Å
483S30.7Very low31.7Very low74 Ų74137.9 Ų137.952%0.51781%0.814SS.*  trans-88.1117161.1-72.60000110.1F481 L485F481-S483 WeakPolarHBondContact CE1-OG 3.39Å; F481-S483 PolarHBondContact O-N 2.67Å; F481-S483 VanDerWaalsContact O-N 3.11Å; S483-L485 PolarHBondContact O-N 3.23Å; S483-L485 VanDerWaalsContact O-N 3.09Å
484P31.7Very low31.7Very low128 Ų128137.9 Ų137.983%0.83183%0.825SS**  trans-66.6108.8175.4-2134000111.4N482 R486N482-P484 WeakPolarHBondContact O-CD 3.47Å; P484-R486 PolarHBondContact O-N 3.15Å
485L29.5Very low31.7Very low169 Ų169139.9 Ų139.989%0.88583%0.826SS**  trans-69104.9174.6-75.9175.3000110.4S483 S487S483-L485 PolarHBondContact O-N 3.23Å; S483-L485 VanDerWaalsContact O-N 3.09Å; L485-S487 PolarHBondContact O-N 2.87Å
486R28.8Very low31.6Very low246 Ų246146.1 Ų146.193%0.92883%0.833SS**  trans-66.2126.7177.4-162.6-177.9-167.4-152.46.9110.4P484P484-R486 PolarHBondContact O-N 3.15Å
487S29.6Very low31.4Very low107 Ų107143.5 Ų143.575%0.74883%0.832SS**  trans-147.4155.2171.3-84.80000110.6L485L485-S487 PolarHBondContact O-N 2.87Å
488P32.7Very low31Very low127 Ų127142.1 Ų142.183%0.82584%0.835SS**  trans-85.4147.9-144.231-36.4000114.9
489A28Very low30.6Very low102 Ų102143 Ų14384%0.84383%0.827SS**  trans-78.7141.1171.100000111.8
490R29.3Very low30.8Very low246 Ų246143.9 Ų143.993%0.92883%0.831SS**  167.9108.1125-178.3-179.8-171.5-168.13.6112.8
491S29.9Very low31.3Very low123 Ų123145.4 Ų145.486%0.8683%0.83SS**  trans-160.2154.2141.855.40000109.8
492Q31.7Very low31.6Very low200 Ų200141.4 Ų141.494%0.93583%0.828SS**  trans-110132.9178.7-69.8173.6-27.100109.7
493A26.8Very low31.7Very low106 Ų106137.9 Ų137.988%0.87682%0.816SS**  trans-157.6144.6157.700000108.6
494A34.2Very low31.9Very low103 Ų103141.7 Ų141.785%0.85183%0.825SS**  trans-115.9128.9-17900000111.1
495T31.8Very low32Very low145 Ų145142.8 Ų142.889%0.8982%0.823SS**  trans-137149.7169.645.70000110.1
496R32.6Very low32.1Very low240 Ų240138.1 Ų138.191%0.90681%0.805SS**  trans-83151.1-178.7-74.4178.5170.3-179.5-4.2111.5
497P35.3Very low32.4Very low130 Ų130135.6 Ų135.684%0.84480%0.795SS**  trans-78.6160.1175.733.9-36.4000112.8
498S30Very low32.8Very low117 Ų117136.1 Ų136.182%0.81879%0.794SS**  trans-144.8157.9166.2600000110.7
499S33.4Very low32.8Very low105 Ų105136.8 Ų136.873%0.73479%0.789SS**  trans75.3124.3-175.4-158.50000116.9
500P37.4Very low33.2Very low124 Ų124139.8 Ų139.881%0.80578%0.784SS**  trans-110.661.2-172.841.8-34.8000114.5
501V36.2Very low33.3Very low133 Ų133130.4 Ų130.481%0.80676%0.763SS**  trans-132.132-177.6-153.60000113.6
502A34.1Very low33.6Very low84 Ų84131.4 Ų131.469%0.69475%0.754SS**  trans-128.33.5-174.600000115.3
503S32.6Very low33.6Very low87 Ų87128.2 Ų128.261%0.60874%0.744SS**THydrogen-bonded Turntrans-88-6.1-168.353.60000116.3
504H34.3Very low33.8Very low153 Ų153129.8 Ų129.871%0.70873%0.733SS**THydrogen-bonded Turntrans-99-31-175.2-108.878000114.9
505L33.8Very low34Very low151 Ų151130.5 Ų130.579%0.79172%0.72SS**THydrogen-bonded Turntrans-84.8-25.1-175.3-70.3171.5000113.7R507L505-R507 VanDerWaalsContact C-N 3.31Å; L505-R507 PolarHBondContact O-N 3.44Å
506S31.6Very low34.3Very low72 Ų72128.9 Ų128.950%0.50371%0.705SS.*THydrogen-bonded Turntrans-70.6-24.8177.450.60000113.7V508S506-V508 VanDerWaalsContact C-N 3.33Å; S506-V508 PolarHBondContact O-N 2.67Å
507R34.5Very low34.4Very low193 Ų193126.2 Ų126.273%0.72870%0.695SS**THydrogen-bonded Turntrans-74.3-18.6-176.5-175.1173.2-79.9168.4-8.2113.9L505L505-R507 VanDerWaalsContact C-N 3.31Å; L505-R507 PolarHBondContact O-N 3.44Å
508V38.6Very low34.4Very low118 Ų118122.8 Ų122.872%0.71567%0.67SS**THydrogen-bonded Turntrans-93.1-19.2-174.1-176.80000113.1S506S506-V508 VanDerWaalsContact C-N 3.33Å; S506-V508 PolarHBondContact O-N 2.67Å
509L32.6Very low34.8Very low140 Ų140120.4 Ų120.473%0.73365%0.648SS**THydrogen-bonded Turntrans-111.2-2.5-173.5-66.6174.5000115
510F35.3Very low35.1Very low166 Ų166119.3 Ų119.373%0.72864%0.64SS**SBendtrans-139.237.1179-63.9-77000111.6E512F510-E512 VanDerWaalsContact C-N 3.33Å; F510-E512 PolarHBondContact O-N 3.36Å
511G33.1Very low35.2Very low48 Ų48120.8 Ų120.850%0.49563%0.63SS.*  trans-76.5-7.8-169.300000116.5
512E35Very low35.5Very low144 Ų144115.8 Ų115.867%0.67360%0.598SS**SBendtrans-90.5-32.1-167.1-62.3179.3165.100113.3F510 E514 M515F510-E512 VanDerWaalsContact C-N 3.33Å; F510-E512 PolarHBondContact O-N 3.36Å; E512-E514 VanDerWaalsContact C-N 3.3Å; E512-E514 PolarHBondContact O-N 3.2Å; E512-M515 HydrophobicContact CG-CE 4.5Å; E512-M515 VanDerWaalsContact O-CB 3.29Å; E512-M515 WeakPolarHBondContact O-CB 3.49Å; E512-M515 PolarHBondContact O-N 2.78Å; E512-M515 VanDerWaalsContact O-N 3.15Å
513D32.5Very low36.2Very low134 Ų134114.3 Ų114.372%0.71758%0.578SS**THydrogen-bonded Turntrans-68.6-18-174.6-84.2-36.4000115.3
514E31.6Very low36.8Very low138 Ų138117.7 Ų117.765%0.64558%0.577SS**THydrogen-bonded Turntrans-91.4-20.4174.7-159.6167.3-158.100112.6E512 L516 R517 L518E512-E514 VanDerWaalsContact C-N 3.3Å; E512-E514 PolarHBondContact O-N 3.2Å; E514-L516 VanDerWaalsContact C-N 3.31Å; E514-L516 PolarHBondContact O-N 2.8Å; E514-R517 PolarHBondContact O-N 3.44Å; E514-R517 VanDerWaalsContact O-N 3.1Å; E514-L518 HydrophobicContact CG-CD1 4.31Å
515M37.5Very low37.3Very low119 Ų119110.7 Ų110.759%0.58655%0.546SS*.G310 helixtrans-60.6-39.3-176.6-158-167.7-53.400112E512 R517E512-M515 HydrophobicContact CG-CE 4.5Å; E512-M515 VanDerWaalsContact O-CB 3.29Å; E512-M515 WeakPolarHBondContact O-CB 3.49Å; E512-M515 PolarHBondContact O-N 2.78Å; E512-M515 VanDerWaalsContact O-N 3.15Å; M515-R517 VanDerWaalsContact C-N 3.26Å; M515-R517 PolarHBondContact O-N 3.29Å
516L38.3Very low37.9Very low110 Ų110105.3 Ų105.358%0.57652%0.519SS*.G310 helixtrans-78.40.8-179.4-63.3175.1000114.4E514E514-L516 VanDerWaalsContact C-N 3.31Å; E514-L516 PolarHBondContact O-N 2.8Å
517R33.9Very low38.8Very low184 Ų184110.2 Ų110.269%0.69453%0.527SS*.G310 helixtrans-114.110.8178-79.9-167.9169.794.20.9114.8E514 M515 R521E514-R517 PolarHBondContact O-N 3.44Å; E514-R517 VanDerWaalsContact O-N 3.1Å; M515-R517 VanDerWaalsContact C-N 3.26Å; M515-R517 PolarHBondContact O-N 3.29Å; R517-R521 PolarHBondContact O-NH2 2.86Å
518L35.4Very low39.6Very low59 Ų59106.3 Ų106.331%0.30952%0.517SS..SBendtrans-91.5-33.4175-98.767.7000113.8E514 S520 R521 H522 F647E514-L518 HydrophobicContact CG-CD1 4.31Å; L518-S520 VanDerWaalsContact C-N 3.27Å; L518-S520 PolarHBondContact O-N 2.98Å; L518-S520 VanDerWaalsContact O-N 3.16Å; L518-R521 WeakPolarHBondContact O-CA 3.45Å; L518-R521 PolarHBondContact O-N 3.35Å; L518-H522 PolarHBondContact O-N 3.22Å; L518-F647 HydrophobicContact CD2-CZ 4.03Å
519D38.7Very low40.2Very low66 Ų66102.9 Ų102.935%0.35350%0.495SS..G310 helixtrans-64-27.5-172.1-115.82.6000113.7K241 R521 H522K241-D519 IonicContact NZ-OD2 2.9Å; D519-R521 PolarHBondContact O-N 3.46Å; D519-H522 IonicContact OD1-CE1 3.19Å; D519-H522 IonicContact OD1-CG 2.66Å; D519-H522 IonicContact OD1-ND1 3.8Å; D519-H522 PolarHBondContact OD1-ND1 3.3Å
520S40.3Very low40.9Very low83 Ų8396.7 Ų96.758%0.5847%0.465SS*.G310 helixtrans-69.7-8.8171.6-40.90000114.9L518L518-S520 VanDerWaalsContact C-N 3.27Å; L518-S520 PolarHBondContact O-N 2.98Å; L518-S520 VanDerWaalsContact O-N 3.16Å
521R39.6Very low41.6Very low154 Ų15493.5 Ų93.558%0.58146%0.461SS*.G310 helixtrans-114-8.1-178.8-71.2-173.5-78.7-169.30.7113.9R517 L518 D519R517-R521 PolarHBondContact O-NH2 2.86Å; L518-R521 WeakPolarHBondContact O-CA 3.45Å; L518-R521 PolarHBondContact O-N 3.35Å; D519-R521 PolarHBondContact O-N 3.46Å
522H41.9Very low42.1Very low29 Ų2994.2 Ų94.213%0.13446%0.458CS..THydrogen-bonded Turntrans-65.9160.1167.9-63.3141000110.9L518 D519 R524 F647L518-H522 PolarHBondContact O-N 3.22Å; D519-H522 IonicContact OD1-CE1 3.19Å; D519-H522 IonicContact OD1-CG 2.66Å; D519-H522 IonicContact OD1-ND1 3.8Å; D519-H522 PolarHBondContact OD1-ND1 3.3Å; H522-R524 VanDerWaalsContact C-N 3.31Å; H522-R524 PolarHBondContact O-N 2.91Å; H522-F647 AromaticContact CE1-CE2 3.89Å; H522-F647 AromaticContact NE2-CE2 3.73Å
523N48.3Very low42.7Very low53 Ų5387.6 Ų87.628%0.28343%0.427SS..THydrogen-bonded Turntrans59.431.6-167-77.7-13.5000113.9K245 A525 V526 R527K245-N523 PolarHBondContact NZ-OD1 3.39Å; N523-A525 PolarHBondContact O-N 3.4Å; N523-V526 HydrophobicContact CB-CB 3.75Å; N523-V526 HydrophobicContact CB-CG1 3.8Å; N523-V526 CarbonylContact O-C 3.44Å; N523-V526 PolarHBondContact O-N 2.69Å; N523-R527 WeakPolarHBondContact O-CB 3.46Å; N523-R527 WeakPolarHBondContact O-CG 3.27Å; N523-R527 PolarHBondContact O-N 2.84Å
524R46.7Very low43.2Very low157 Ų15784.9 Ų84.959%0.59242%0.419SS*.Hα-helixtrans-57.5-48.1172.4-172.6176.6-174.2-150.9-13.8111.5H522 V526 R527 E528H522-R524 VanDerWaalsContact C-N 3.31Å; H522-R524 PolarHBondContact O-N 2.91Å; R524-V526 PolarHBondContact O-N 3.01Å; R524-R527 PolarHBondContact O-N 2.97Å; R524-E528 HydrophobicContact CG-CG 4.15Å; R524-E528 IonicContact CZ-OE1 2.74Å; R524-E528 VanDerWaalsContact CZ-OE1 3.26Å; R524-E528 IonicContact CZ-OE2 2.78Å; R524-E528 VanDerWaalsContact CZ-OE2 3.29Å; R524-E528 IonicContact NE-OE1 3.46Å; R524-E528 PolarHBondContact NE-OE1 3.48Å; R524-E528 IonicContact NE-OE2 3.21Å; R524-E528 PolarHBondContact NE-OE2 3.43Å; R524-E528 VanDerWaalsContact NH2-CD 3.35Å; R524-E528 IonicContact NH2-OE1 3.8Å; R524-E528 PolarHBondContact NH2-OE1 3.27Å; R524-E528 IonicContact NH2-OE2 3.29Å; R524-E528 PolarHBondContact NH2-OE2 3.18Å; R524-E528 WeakPolarHBondContact O-CB 3.39Å; R524-E528 PolarHBondContact O-N 3Å
525A43.8Very low44.2Very low7 Ų779.4 Ų79.46%0.05840%0.397CS..Hα-helixtrans-58.1-46.4174.100000112.1N523 R527 L529 L633 C636N523-A525 PolarHBondContact O-N 3.4Å; A525-R527 PolarHBondContact O-N 3.26Å; A525-L529 WeakPolarHBondContact O-CA 3.22Å; A525-L529 VanDerWaalsContact O-CB 3.25Å; A525-L529 WeakPolarHBondContact O-CB 3.48Å; A525-L529 PolarHBondContact O-N 3.32Å; A525-L633 HydrophobicContact CB-CD1 4.11Å; A525-C636 HydrophobicContact CB-CB 3.9Å
526V47.5Very low44.8Very low37 Ų3776.6 Ų76.622%0.22439%0.389CS..Hα-helixtrans-66.5-31.1-179.5151.70000113.1N523 R524 G530 L540N523-V526 HydrophobicContact CB-CB 3.75Å; N523-V526 HydrophobicContact CB-CG1 3.8Å; N523-V526 CarbonylContact O-C 3.44Å; N523-V526 PolarHBondContact O-N 2.69Å; R524-V526 PolarHBondContact O-N 3.01Å; V526-G530 WeakPolarHBondContact O-CA 3.38Å; V526-G530 PolarHBondContact O-N 3.48Å; V526-L540 HydrophobicContact CB-CD2 4.4Å; V526-L540 HydrophobicContact CG1-CD2 4.09Å; V526-L540 HydrophobicContact CG2-CD1 4.14Å; V526-L540 HydrophobicContact CG2-CD2 4.15Å
527R49.6Very low45.4Very low175 Ų17573.6 Ų73.666%0.6637%0.373SS*.Hα-helixtrans-89.6-40.3179.4-71.1176.463-166.4-0.9113.7N523 R524 A525N523-R527 WeakPolarHBondContact O-CB 3.46Å; N523-R527 WeakPolarHBondContact O-CG 3.27Å; N523-R527 PolarHBondContact O-N 2.84Å; R524-R527 PolarHBondContact O-N 2.97Å; A525-R527 PolarHBondContact O-N 3.26Å
528E51.3Low46.3Very low112 Ų11265 Ų6552%0.52334%0.341SS..Hα-helixtrans-80.1-29.8179.3-67.5-176.3171.300112.4R524R524-E528 HydrophobicContact CG-CG 4.15Å; R524-E528 IonicContact CZ-OE1 2.74Å; R524-E528 VanDerWaalsContact CZ-OE1 3.26Å; R524-E528 IonicContact CZ-OE2 2.78Å; R524-E528 VanDerWaalsContact CZ-OE2 3.29Å; R524-E528 IonicContact NE-OE1 3.46Å; R524-E528 PolarHBondContact NE-OE1 3.48Å; R524-E528 IonicContact NE-OE2 3.21Å; R524-E528 PolarHBondContact NE-OE2 3.43Å; R524-E528 VanDerWaalsContact NH2-CD 3.35Å; R524-E528 IonicContact NH2-OE1 3.8Å; R524-E528 PolarHBondContact NH2-OE1 3.27Å; R524-E528 IonicContact NH2-OE2 3.29Å; R524-E528 PolarHBondContact NH2-OE2 3.18Å; R524-E528 WeakPolarHBondContact O-CB 3.39Å; R524-E528 PolarHBondContact O-N 3Å
529L50.8Low47Very low46 Ų4666.3 Ų66.324%0.24135%0.345CS..SBendtrans-116.2-9.3-178-56.8169.2000113.7A525 S532 V533 L633A525-L529 WeakPolarHBondContact O-CA 3.22Å; A525-L529 VanDerWaalsContact O-CB 3.25Å; A525-L529 WeakPolarHBondContact O-CB 3.48Å; A525-L529 PolarHBondContact O-N 3.32Å; L529-S532 CarbonylContact O-C 3.52Å; L529-S532 WeakPolarHBondContact O-CA 3.17Å; L529-S532 WeakPolarHBondContact O-CB 3.38Å; L529-S532 PolarHBondContact O-N 2.97Å; L529-V533 HydrophobicContact CB-CG2 4.46Å; L529-V533 VanDerWaalsContact O-CB 3.29Å; L529-V533 WeakPolarHBondContact O-CB 3.26Å; L529-V533 WeakPolarHBondContact O-CG2 3.17Å; L529-V533 PolarHBondContact O-N 2.87Å; L529-L633 HydrophobicContact CB-CD1 4.35Å; L529-L633 HydrophobicContact CD1-CB 4Å; L529-L633 HydrophobicContact CD1-CD1 3.71Å; L529-L633 HydrophobicContact CD1-CG 4.41Å
530G47.3Very low47.8Very low10 Ų1064.7 Ų64.710%0.10334%0.337CS..Hα-helixtrans-55-51174.900000113.7V526 S532 V533 S534V526-G530 WeakPolarHBondContact O-CA 3.38Å; V526-G530 PolarHBondContact O-N 3.48Å; G530-S532 PolarHBondContact O-N 3.28Å; G530-V533 PolarHBondContact O-N 2.92Å; G530-V533 VanDerWaalsContact O-N 3.08Å; G530-S534 PolarHBondContact O-N 3.08Å; G530-S534 VanDerWaalsContact O-N 3.13Å
531P49.6Very low48.6Very low99 Ų9965 Ų6564%0.64333%0.329SS*.Hα-helixtrans-63.5-24.1173.3-23.234.9000113.9S534P531-S534 PolarHBondContact O-OG 3.39Å; P531-S534 VanDerWaalsContact O-OG 3.13Å
532S44.8Very low49.1Very low63 Ų6366.3 Ų66.344%0.44135%0.348SS..Hα-helixtrans-78.1-36.1172.3-45.10000111.5L529 G530 S534 Y625L529-S532 CarbonylContact O-C 3.52Å; L529-S532 WeakPolarHBondContact O-CA 3.17Å; L529-S532 WeakPolarHBondContact O-CB 3.38Å; L529-S532 PolarHBondContact O-N 2.97Å; G530-S532 PolarHBondContact O-N 3.28Å; S532-S534 VanDerWaalsContact C-N 3.33Å; S532-Y625 WeakPolarHBondContact O-CE1 3.29Å; S532-Y625 PolarHBondContact O-OH 3.33Å
533V46.6Very low49.6Very low5 Ų569 Ų693%0.0336%0.363CS..Hα-helixtrans-75.6-16.8-177.4165.20000112.5L529 G530 A535 L538 L540 I546 Y625 L633L529-V533 HydrophobicContact CB-CG2 4.46Å; L529-V533 VanDerWaalsContact O-CB 3.29Å; L529-V533 WeakPolarHBondContact O-CB 3.26Å; L529-V533 WeakPolarHBondContact O-CG2 3.17Å; L529-V533 PolarHBondContact O-N 2.87Å; G530-V533 PolarHBondContact O-N 2.92Å; G530-V533 VanDerWaalsContact O-N 3.08Å; V533-A535 PolarHBondContact O-N 2.68Å; V533-L538 HydrophobicContact CG1-CB 3.98Å; V533-L538 CarbonylContact O-C 3.54Å; V533-L540 HydrophobicContact CG1-CB 4.14Å; V533-I546 HydrophobicContact CG1-CG2 4.49Å; V533-Y625 WeakPolarHBondContact CA-OH 3.5Å; V533-Y625 PolarHBondContact O-OH 3.02Å; V533-L633 HydrophobicContact CG2-CD2 3.95Å
534S43.5Very low50Low77 Ų7766.8 Ų66.854%0.53835%0.352SS..SBendtrans-79.537.3179.163.30000114.6G530 P531 S532G530-S534 PolarHBondContact O-N 3.08Å; G530-S534 VanDerWaalsContact O-N 3.13Å; P531-S534 PolarHBondContact O-OG 3.39Å; P531-S534 VanDerWaalsContact O-OG 3.13Å; S532-S534 VanDerWaalsContact C-N 3.33Å
535A52.1Low50.6Low23 Ų2360 Ų6019%0.1933%0.328CS..SBendtrans-140.2122.3-178.800000114.4V533 L537 Y625V533-A535 PolarHBondContact O-N 2.68Å; A535-L537 VanDerWaalsContact C-N 3.33Å; A535-L537 PolarHBondContact O-N 2.98Å; A535-Y625 PolarHBondContact N-OH 3.41Å; A535-Y625 WeakPolarHBondContact O-CE2 3.48Å; A535-Y625 PolarHBondContact O-OH 3.35Å
536S50.2Low51.5Low59 Ų5960 Ų6041%0.41333%0.327SS..SBendtrans66.1-39.6166.176.90000120.3
537L51.3Low51.7Low47 Ų4763.7 Ų63.725%0.24634%0.338CS..SBendtrans-132.1-26.7-170.4-164.766.4000115.5A535 A548 L549A535-L537 VanDerWaalsContact C-N 3.33Å; A535-L537 PolarHBondContact O-N 2.98Å; L537-A548 WeakPolarHBondContact O-CA 3.29Å; L537-L549 PolarHBondContact O-N 2.88Å
538L52.9Low51.7Low5 Ų557.7 Ų57.73%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-121.2157.8173.7-63.8179000109T255 V533 I546 Y547 A548 L630T255-L538 HydrophobicContact CG2-CD2 3.68Å; V533-L538 HydrophobicContact CG1-CB 3.98Å; V533-L538 CarbonylContact O-C 3.54Å; L538-I546 HydrophobicContact CB-CG2 3.96Å; L538-I546 HydrophobicContact CD1-CG2 4.12Å; L538-I546 HydrophobicContact CD2-CG2 4.08Å; L538-I546 HydrophobicContact CG-CG2 4.28Å; L538-Y547 CarbonylContact C-O 3.59Å; L538-Y547 VanDerWaalsContact CA-O 3.27Å; L538-Y547 WeakPolarHBondContact CA-O 3.2Å; L538-A548 HydrophobicContact CD2-CB 4.05Å; L538-L630 HydrophobicContact CD1-CD2 4.12Å
539H50.4Low51.6Low85 Ų8556.3 Ų56.339%0.39432%0.322SS..EExtended strand (participates in β ladder)trans-142.4121.2172.2-172-72.9000109.8I546 Y547H539-I546 WeakPolarHBondContact O-CA 3.27Å; H539-Y547 PolarHBondContact N-O 2.84Å; H539-Y547 PolarHBondContact O-N 3.19Å
540L54.7Low51.2Low33 Ų3359.1 Ų59.117%0.17334%0.343CS..EExtended strand (participates in β ladder)trans-88.1119.9172.6179.168.9000108.7V526 V533 V545 I546V526-L540 HydrophobicContact CB-CD2 4.4Å; V526-L540 HydrophobicContact CG1-CD2 4.09Å; V526-L540 HydrophobicContact CG2-CD1 4.14Å; V526-L540 HydrophobicContact CG2-CD2 4.15Å; V533-L540 HydrophobicContact CG1-CB 4.14Å; L540-V545 WeakPolarHBondContact CA-O 3.35Å; L540-I546 HydrophobicContact CD1-CD1 4.49Å; L540-I546 HydrophobicContact CD1-CG1 3.69Å
541Q56.7Low50.8Low89 Ų8964.3 Ų64.342%0.41638%0.375SS..  trans-86.8166172.2-67.8-170.135.400111.3D543 G544 V545 Y547Q541-D543 VanDerWaalsContact CB-OD1 3.31Å; Q541-D543 WeakPolarHBondContact CB-OD1 3.43Å; Q541-D543 PolarHBondContact O-N 2.8Å; Q541-G544 WeakPolarHBondContact O-CA 3.35Å; Q541-G544 PolarHBondContact O-N 3.45Å; Q541-V545 PolarHBondContact N-O 2.79Å; Q541-Y547 HydrophobicContact CG-CD2 4.03Å; Q541-Y547 HydrophobicContact CG-CE2 4.05Å; Q541-Y547 VanDerWaalsContact NE2-CD2 3.29Å
542D50.6Low50.3Low182 Ų18265 Ų6597%0.97338%0.382SS*.THydrogen-bonded Turntrans-64.2-19.6-177-59.8-57.5000113.7G544D542-G544 PolarHBondContact O-N 2.79Å
543D52.6Low49.6Very low85 Ų8565.6 Ų65.646%0.45540%0.398SS..THydrogen-bonded Turntrans-72.4-12.1170.369.3-8.3000113.4Q541 V545Q541-D543 VanDerWaalsContact CB-OD1 3.31Å; Q541-D543 WeakPolarHBondContact CB-OD1 3.43Å; Q541-D543 PolarHBondContact O-N 2.8Å; D543-V545 WeakPolarHBondContact OD1-CB 3.45Å; D543-V545 PolarHBondContact OD1-N 2.66Å; D543-V545 VanDerWaalsContact OD2-CG2 3.24Å; D543-V545 WeakPolarHBondContact OD2-CG2 3.46Å
544G57.9Low48.9Very low6 Ų672.4 Ų72.46%0.06243%0.434CS..SBendtrans88.79.8-176.600000115.1I248 N252 Q541 D542I248-G544 WeakPolarHBondContact CG2-O 3.21Å; N252-G544 PolarHBondContact ND2-O 2.68Å; Q541-G544 WeakPolarHBondContact O-CA 3.35Å; Q541-G544 PolarHBondContact O-N 3.45Å; D542-G544 PolarHBondContact O-N 2.79Å
545V57.3Low48.3Very low14 Ų1474.2 Ų74.29%0.08545%0.447CS..  trans-87134.6177.5-179.40000111I248 L540 Q541 D543 Y547I248-V545 HydrophobicContact CB-CG2 4.45Å; I248-V545 HydrophobicContact CD1-CG2 4.45Å; I248-V545 HydrophobicContact CG1-CG2 3.96Å; I248-V545 HydrophobicContact CG2-CG2 3.88Å; L540-V545 WeakPolarHBondContact CA-O 3.35Å; Q541-V545 PolarHBondContact N-O 2.79Å; D543-V545 WeakPolarHBondContact OD1-CB 3.45Å; D543-V545 PolarHBondContact OD1-N 2.66Å; D543-V545 VanDerWaalsContact OD2-CG2 3.24Å; D543-V545 WeakPolarHBondContact OD2-CG2 3.46Å; V545-Y547 HydrophobicContact CB-CD2 4.38Å; V545-Y547 HydrophobicContact CB-CE2 3.75Å; V545-Y547 HydrophobicContact CG1-CD2 3.9Å; V545-Y547 HydrophobicContact CG1-CE2 3.37Å
546I64.1Low47.5Very low8 Ų877.6 Ų77.64%0.04148%0.475CS..EExtended strand (participates in β ladder)trans-99.9111.4177.1-57.8176.6000109.8N252 T255 I256 V533 L538 H539 L540N252-I546 HydrophobicContact CB-CB 4.45Å; N252-I546 HydrophobicContact CB-CD1 4.12Å; N252-I546 HydrophobicContact CB-CG1 4.33Å; N252-I546 PolarHBondContact OD1-N 2.72Å; T255-I546 HydrophobicContact CG2-CG2 4.25Å; T255-I546 WeakPolarHBondContact CG2-O 3.33Å; T255-I546 PolarHBondContact OG1-O 2.75Å; T255-I546 VanDerWaalsContact OG1-O 3.06Å; I256-I546 HydrophobicContact CD1-CD1 4.46Å; V533-I546 HydrophobicContact CG1-CG2 4.49Å; L538-I546 HydrophobicContact CB-CG2 3.96Å; L538-I546 HydrophobicContact CD1-CG2 4.12Å; L538-I546 HydrophobicContact CD2-CG2 4.08Å; L538-I546 HydrophobicContact CG-CG2 4.28Å; H539-I546 WeakPolarHBondContact O-CA 3.27Å; L540-I546 HydrophobicContact CD1-CD1 4.49Å; L540-I546 HydrophobicContact CD1-CG1 3.69Å
547Y50.6Low46.5Very low114 Ų11484.6 Ų84.645%0.44750%0.501SS..EExtended strand (participates in β ladder)trans-93.4153.7172.4-67.7-95.3000110.9L538 H539 Q541 V545L538-Y547 CarbonylContact C-O 3.59Å; L538-Y547 VanDerWaalsContact CA-O 3.27Å; L538-Y547 WeakPolarHBondContact CA-O 3.2Å; H539-Y547 PolarHBondContact N-O 2.84Å; H539-Y547 PolarHBondContact O-N 3.19Å; Q541-Y547 HydrophobicContact CG-CD2 4.03Å; Q541-Y547 HydrophobicContact CG-CE2 4.05Å; Q541-Y547 VanDerWaalsContact NE2-CD2 3.29Å; V545-Y547 HydrophobicContact CB-CD2 4.38Å; V545-Y547 HydrophobicContact CB-CE2 3.75Å; V545-Y547 HydrophobicContact CG1-CD2 3.9Å; V545-Y547 HydrophobicContact CG1-CE2 3.37Å
548A49.9Very low45.3Very low50 Ų5085.7 Ų85.741%0.41352%0.523SS..EExtended strand (participates in β ladder)trans-100.9130170.900000110.7T255 L537 L538T255-A548 HydrophobicContact CG2-CB 4.02Å; L537-A548 WeakPolarHBondContact O-CA 3.29Å; L538-A548 HydrophobicContact CD2-CB 4.05Å
549L49.5Very low44Very low82 Ų8291.9 Ų91.943%0.42956%0.562SS.*PPolyproline II helixtrans-81.1143.6175-71.8168.1000110.6L537L537-L549 PolarHBondContact O-N 2.88Å
550P41.7Very low42.9Very low106 Ų10696.8 Ų96.869%0.68858%0.582SS**PPolyproline II helixtrans-67.9147.4168.830.5-34.1000110.1S552P550-S552 PolarHBondContact O-N 3.01Å
551P40.2Very low41.4Very low119 Ų119103.2 Ų103.277%0.77362%0.615SS**PPolyproline II helixtrans-68.8117.8-177.327.6-34.1000111.5G553P551-G553 PolarHBondContact O-N 2.8Å
552S38.1Very low39.7Very low112 Ų112104.8 Ų104.878%0.78364%0.635SS**PPolyproline II helixtrans-66.6122.7167.352.80000110.4P550P550-S552 PolarHBondContact O-N 3.01Å
553G31.5Very low38.4Very low76 Ų76102.1 Ų102.178%0.78463%0.625SS**PPolyproline II helixtrans-99.6125.1176.400000112P551P551-G553 PolarHBondContact O-N 2.8Å
554D31.1Very low37.1Very low148 Ų148104.3 Ų104.379%0.79165%0.645SS**  trans-144.6151.9176.4-104.8-58000108.3
555S30.3Very low35.4Very low115 Ų115111.1 Ų111.180%0.80468%0.675SS**  cis-147.4-168.63.9-1440000111.8
556A35.2Very low33.9Very low94 Ų94118.6 Ų118.678%0.77771%0.706SS**  trans-118.8157.7-155.500000118.2
557E30.5Very low31.9Very low207 Ų207124.6 Ų124.697%0.96774%0.743SS**  trans-156.3146.1151.2-88.4-167.2137.800108.2
558G26.2Very low30.5Very low69 Ų69127.3 Ų127.371%0.71176%0.757SS**  cis156.3118.7-12.600000112.8
559T25.4Very low29.3Very low135 Ų135131.5 Ų131.583%0.82877%0.772SS**  trans-174.5124.7160-86.80000114.5
560K26.3Very low28Very low189 Ų189135.6 Ų135.682%0.82279%0.786SS**  trans44.6107.2152.3-64.6174.7-176.7173.80122.5
561L23.4Very low27.2Very low167 Ų167135.8 Ų135.887%0.87479%0.785SS**  57.5110.5111.1-159.789.8000120.5
562C21.9Very low26.4Very low123 Ų123137.2 Ų137.283%0.83178%0.779SS**  -163.6164.9121.7-127.10000113.1
563T22.2Very low25.9Very low125 Ų125138.1 Ų138.177%0.76777%0.771SS**  trans-92.2171-174.7510000113.8
564P25.4Very low25.6Very low132 Ų132140.3 Ų140.386%0.85776%0.764SS**  trans-122.3130.2140.734.7-25.8000111.9
565E21.7Very low25.6Very low148 Ų148140 Ų14069%0.69276%0.758SS**  trans-123.1128.8163.1-159-172179.500110.9
566K25.8Very low25.7Very low172 Ų172141.4 Ų141.475%0.74875%0.75SS**  trans26.3127.2156.8-60162.8-167154.40119.9
567V22.8Very low25.4Very low134 Ų134142.7 Ų142.781%0.81274%0.744SS**  -166.8113.2118138.90000107
568K22.1Very low25.5Very low171 Ų171136.4 Ų136.474%0.74373%0.727SS**  76.1114.276.7-100.2-168.1170.4179.40115.1
569L23.1Very low25.7Very low138 Ų138140 Ų14072%0.72373%0.728SS**  trans74.4153.7143.2-55.1173.9000116.6
570K23.3Very low26Very low168 Ų168140.9 Ų140.973%0.7372%0.721SS**  cis-162.61423.2-133.7-179.6177.5-172.90113.2
571V24Very low26.1Very low110 Ų110139.8 Ų139.867%0.66772%0.718SS**  trans64.3155.5131.7148.50000118.1
572K25.2Very low26.3Very low149 Ų149135 Ų13565%0.64871%0.71SS**  cis-147.9128.332.2-144.3134.6-150.1-650109.8
573E25.8Very low26.6Very low130 Ų130136.9 Ų136.961%0.60771%0.711SS**  81.6154109-82.7167.3-148.700115.6
574D26.8Very low26.8Very low122 Ų122139.6 Ų139.665%0.65272%0.715SS**  cis-144.2154.319.6-115.1-29.8000115.5
575E31Very low26.6Very low142 Ų142136.4 Ų136.466%0.66471%0.707SS**  trans46.8142.1147.7-55.4-131.7128.100121.8
576K31.4Very low27.5Very low145 Ų145135.9 Ų135.963%0.6372%0.716SS**  cis-168.4174.68-125.6-170.3174.279.20108.4
577D28.2Very low27.6Very low121 Ų121132.7 Ų132.765%0.64772%0.715SS**  cis-160.8178.2-8.1-151.5-16.6000110.1
578A32.6Very low27.8Very low74 Ų74132.9 Ų132.961%0.61272%0.717SS**  trans50.5133.513900000123.6
579I31Very low27.9Very low144 Ų144128.5 Ų128.574%0.73871%0.713SS**  cis-167135.2-14.1-134.6157.6000112.4
580K31.5Very low28Very low155 Ų155128.3 Ų128.367%0.67472%0.717SS**  trans55.3144.2140.7-80.4-174.9165.4-81.20122.8
581E29.7Very low28.2Very low165 Ų165130.1 Ų130.177%0.77172%0.724SS**  cis-153.1-175.3-12-41-146.275.300107.6
582G27.2Very low28.2Very low67 Ų67132.1 Ų132.169%0.69172%0.724SS**  cis155.9152.3-6.200000113.2
583D28.2Very low28.3Very low162 Ų162131.8 Ų131.887%0.86673%0.725SS**  trans59.6153162.9-80.1-10.7000122.1
584E25.6Very low28.2Very low182 Ų182133.6 Ų133.685%0.8574%0.739SS**  cis-144.1176.2-3-143.6-178178.500111.4
585G22.4Very low28.2Very low66 Ų66135.6 Ų135.668%0.6874%0.744SS**  trans-97.6-148.4179.100000115.1
586P40.8Very low27.9Very low137 Ų137135.5 Ų135.589%0.8975%0.749SS**  cis-133.1-142.61.142.6-22.6000114.1
587S26.4Very low27.7Very low104 Ų104137.7 Ų137.773%0.72776%0.761SS**  trans-150.1-165-161.459.10000116
588V27.5Very low27.6Very low138 Ų138139.9 Ų139.984%0.83677%0.773SS**  trans68.5159.4173.1-112.40000117.5
589A24.5Very low27.3Very low80 Ų80139 Ų13966%0.66177%0.771SS**  cis-156.8148.9300000116.2
590V25.6Very low27.1Very low133 Ų133137 Ų13781%0.80678%0.776SS**  trans42.6131.5134.5-178.50000122.8
591K25.8Very low26.9Very low206 Ų206137.7 Ų137.790%0.89678%0.781SS**  trans-163.3172.7134.5-114.3173.2-175.8-175.20115.5
592K25.8Very low26.7Very low153 Ų153136.1 Ų136.167%0.66578%0.778SS**  trans-119.3163.6-171.9-62.5175.498-140.30112.4
593E25.8Very low26.8Very low141 Ų141141.6 Ų141.666%0.65978%0.783SS**  trans51.5128.8141.6-73146.3-165.900121.3
594D25Very low27.2Very low169 Ų169140 Ų14090%0.90478%0.781SS**  -172.4175121.8-95-24.4000111.4
595E26.2Very low27.1Very low164 Ų164134.6 Ų134.677%0.76677%0.774SS**  trans-120.1177.2-160.3-58.6-175.7143.200116.5
596N25.5Very low27.3Very low140 Ų140140.2 Ų140.275%0.74978%0.78SS**  trans81.5121.3150.6-63.7-52.1000122.1
597E27.4Very low26.6Very low190 Ų190139.7 Ų139.789%0.88877%0.765SS**  -160.2122.4110.4-94.9177.1170.200106
598D25.3Very low26.6Very low167 Ų167142.7 Ų142.789%0.89377%0.765SS**  70.7131.874-15648.8000114
599G25.7Very low26.5Very low56 Ų56142.7 Ų142.758%0.57776%0.76SS**  cis179.1162.9-5.300000113.3
600A28.3Very low26.4Very low102 Ų102145 Ų14584%0.84376%0.761SS**  trans59.7149.7171.900000118.5
601E26.6Very low26.5Very low169 Ų169145 Ų14579%0.7976%0.761SS**  cis-159.1-169.3-21.7-113.7-146.7110.100107.2
602L25.8Very low26.4Very low133 Ų133140.6 Ų140.670%0.69675%0.752SS**  cis-152.2-165.611.8-136.9-173.4000108.8
603K28.5Very low26.4Very low182 Ų182142.9 Ų142.979%0.79177%0.765SS**  trans-143.1-172.2168.7-71.3-173.3178.7172.10108.8
604P36.6Very low26.5Very low128 Ų128142 Ų14283%0.83177%0.774SS**  cis-133.8-179-7.442.8-26.9000115.3
605G23.5Very low26.6Very low69 Ų69137.8 Ų137.871%0.71177%0.771SS**  trans138.1111.1132.500000121.1
606K27.7Very low26.9Very low184 Ų184134.8 Ų134.880%0.877%0.774SS**  trans76.2130.1146.5-66-169.6165.8-144.50122.5
607E24.5Very low27.4Very low125 Ų125136.2 Ų136.258%0.58478%0.782SS**  39.9132.8127.6-53179.690.100119.5
608K26.6Very low27.8Very low167 Ų167132.8 Ų132.873%0.72678%0.779SS**  cis-169.5175.67.1-106.5165.4-177.9156.10106.4
609L25Very low28.3Very low138 Ų138131.9 Ų131.972%0.72377%0.767SS**  cis-153.6-155.49.4-134.6173.6000109.4
610N23.3Very low28.6Very low129 Ų129133.8 Ų133.869%0.6977%0.769SS**  trans-76.4169.6177.3-54.3-11.6000111.8T612N610-T612 HydrophobicContact CB-CG2 4.37Å
611V26.9Very low29.1Very low133 Ų133135.1 Ų135.181%0.80677%0.769SS**  -172.1146.859.8163.70000109.1
612T24.4Very low29.9Very low113 Ų113129.2 Ų129.269%0.69375%0.754SS**  cis-169.5148.4-3243.40000107.4N610N610-T612 HydrophobicContact CB-CG2 4.37Å
613E25.8Very low31Very low201 Ų201127 Ų12794%0.93974%0.743SS**  trans-117.8150.1159.2-76.4-167.8134.600110.6
614S29Very low32.4Very low123 Ų123125.8 Ų125.886%0.8674%0.737SS**  trans-101.7104.6176.957.10000110.8
615G27.3Very low33.5Very low81 Ų81120.8 Ų120.884%0.83570%0.702SS**PPolyproline II helixtrans-67.6154178.700000113.6
616A31.6Very low35.8Very low101 Ų101119.4 Ų119.484%0.83568%0.682SS**PPolyproline II helixtrans-88.8137.7168.100000110.2S618A616-S618 PolarHBondContact O-N 3.32Å
617D35.6Very low38.2Very low170 Ų170113.2 Ų113.291%0.90966%0.66SS**PPolyproline II helixtrans-64.2126.3178.3-93.1-43.9000112.1
618S36.8Very low40.7Very low118 Ų118115.6 Ų115.683%0.82567%0.669SS**  trans-100.2101.5167.546.70000110.3A616A616-S618 PolarHBondContact O-N 3.32Å
619K34.6Very low43Very low148 Ų148112.5 Ų112.564%0.64366%0.657SS**  trans-72.6148.7174.4-85.5-170.6165.7-162.10112.3D623K619-D623 WeakPolarHBondContact CD-OD2 3.26Å; K619-D623 WeakPolarHBondContact CE-OD2 3.47Å; K619-D623 IonicContact NZ-OD2 2.67Å; K619-D623 PolarHBondContact NZ-OD2 3.15Å
620P31.5Very low45.4Very low95 Ų95106 Ų10662%0.61762%0.623SS**  trans-72.6154.5176.131.5-35.8000112.3G622P620-G622 PolarHBondContact O-N 3.06Å
621P38.8Very low48.3Very low130 Ų130104 Ų10484%0.84461%0.612SS**THydrogen-bonded Turntrans-71.8109.7177.229.5-33.8000110.8
622G44.6Very low50.8Low46 Ų46100 Ų10047%0.47459%0.593SS.*THydrogen-bonded Turntrans156.3-16.4178.300000115.4P620 K624P620-G622 PolarHBondContact O-N 3.06Å; G622-K624 PolarHBondContact O-N 3.45Å
623D48.5Very low53.4Low87 Ų8795 Ų9547%0.46556%0.562SS.*PPolyproline II helixtrans-65.3120.4175.9-98.210.1000111.5K619K619-D623 WeakPolarHBondContact CD-OD2 3.26Å; K619-D623 WeakPolarHBondContact CE-OD2 3.47Å; K619-D623 IonicContact NZ-OD2 2.67Å; K619-D623 PolarHBondContact NZ-OD2 3.15Å
624K56.9Low56.2Low155 Ų15586.1 Ų86.167%0.67452%0.521SS*.PPolyproline II helixtrans-67133.4173.6-61.9174.2-176.7174.60109.5G622 S626G622-K624 PolarHBondContact O-N 3.45Å; K624-S626 PolarHBondContact O-N 2.9Å
625Y60.1Low58.9Low23 Ų2387.3 Ų87.39%0.0951%0.51CS..PPolyproline II helixtrans-47.6127.6178.2-58.9-73.7000112.6S532 V533 A535 L630S532-Y625 WeakPolarHBondContact O-CE1 3.29Å; S532-Y625 PolarHBondContact O-OH 3.33Å; V533-Y625 WeakPolarHBondContact CA-OH 3.5Å; V533-Y625 PolarHBondContact O-OH 3.02Å; A535-Y625 PolarHBondContact N-OH 3.41Å; A535-Y625 WeakPolarHBondContact O-CE2 3.48Å; A535-Y625 PolarHBondContact O-OH 3.35Å; Y625-L630 HydrophobicContact CG-CD2 4.1Å; Y625-L630 HydrophobicContact CG-CG 4.36Å
626S73.3Confident61.6Low41 Ų4186.2 Ų86.229%0.28749%0.489SS..PPolyproline II helixtrans-67.1149.2168.876.10000109.7K624 K628 E629 L630K624-S626 PolarHBondContact O-N 2.9Å; S626-K628 PolarHBondContact O-N 2.97Å; S626-K628 PolarHBondContact OG-N 2.94Å; S626-E629 WeakPolarHBondContact CA-OE2 3.44Å; S626-E629 WeakPolarHBondContact CB-OE2 3.34Å; S626-E629 PolarHBondContact N-OE2 3.36Å; S626-E629 PolarHBondContact O-N 3.29Å; S626-E629 VanDerWaalsContact O-N 3.08Å; S626-E629 VanDerWaalsContact OG-CD 3.25Å; S626-E629 PolarHBondContact OG-N 3.44Å; S626-E629 PolarHBondContact OG-OE2 2.66Å; S626-L630 PolarHBondContact O-N 2.96Å
627P76.4Confident64.1Low53 Ų5381.6 Ų81.634%0.34445%0.45SS..Hα-helixtrans-56.1-23.4172.2-27.435.8000113.5L260 L631L260-P627 HydrophobicContact CD2-CB 4.41Å; P627-L631 VanDerWaalsContact O-CB 3.27Å; P627-L631 WeakPolarHBondContact O-CB 3.3Å; P627-L631 WeakPolarHBondContact O-CD1 3.29Å; P627-L631 WeakPolarHBondContact O-CG 3.42Å; P627-L631 PolarHBondContact O-N 3.04Å
628K77.1Confident66.6Low176 Ų17676.8 Ų76.877%0.76542%0.423SS*.Hα-helixtrans-71.2-41.2176.7-65.5-179.8179.8176.50112.3S626 L631 A632S626-K628 PolarHBondContact O-N 2.97Å; S626-K628 PolarHBondContact OG-N 2.94Å; K628-L631 PolarHBondContact O-N 3.13Å; K628-A632 WeakPolarHBondContact O-CB 3.26Å; K628-A632 PolarHBondContact O-N 2.89Å
629E75.9Confident69.1Low101 Ų10173.6 Ų73.647%0.47240%0.403SS..Hα-helixtrans-69.8-42.9178.3-70.8147147.400111S626 L631 A632 L633S626-E629 WeakPolarHBondContact CA-OE2 3.44Å; S626-E629 WeakPolarHBondContact CB-OE2 3.34Å; S626-E629 PolarHBondContact N-OE2 3.36Å; S626-E629 PolarHBondContact O-N 3.29Å; S626-E629 VanDerWaalsContact O-N 3.08Å; S626-E629 VanDerWaalsContact OG-CD 3.25Å; S626-E629 PolarHBondContact OG-N 3.44Å; S626-E629 PolarHBondContact OG-OE2 2.66Å; E629-L631 VanDerWaalsContact C-N 3.35Å; E629-L631 PolarHBondContact O-N 2.95Å; E629-A632 WeakPolarHBondContact O-CB 3.41Å; E629-A632 PolarHBondContact O-N 2.76Å; E629-A632 VanDerWaalsContact O-N 3.16Å; E629-L633 WeakPolarHBondContact O-CB 3.5Å; E629-L633 PolarHBondContact O-N 3.09Å
630L75.5Confident71.5Confident3 Ų367.5 Ų67.52%0.01638%0.378CS..Hα-helixtrans-64.3-36.8174.1-68.4176.1000112.5I256 L260 M263 L538 Y625 S626 A632 L634I256-L630 HydrophobicContact CG2-CB 4.49Å; I256-L630 WeakPolarHBondContact CG2-O 3.1Å; L260-L630 HydrophobicContact CD1-CB 4.33Å; L260-L630 HydrophobicContact CD2-CB 3.51Å; L260-L630 HydrophobicContact CD2-CD1 4.18Å; L260-L630 HydrophobicContact CG-CB 3.73Å; L260-L630 HydrophobicContact CG-CD1 4.23Å; M263-L630 HydrophobicContact CG-CD1 4.37Å; L538-L630 HydrophobicContact CD1-CD2 4.12Å; Y625-L630 HydrophobicContact CG-CD2 4.1Å; Y625-L630 HydrophobicContact CG-CG 4.36Å; S626-L630 PolarHBondContact O-N 2.96Å; L630-A632 VanDerWaalsContact C-N 3.35Å; L630-L634 VanDerWaalsContact O-CB 3.28Å; L630-L634 WeakPolarHBondContact O-CB 3.14Å; L630-L634 PolarHBondContact O-N 2.74Å
631L83.4Confident74.3Confident86 Ų8663.7 Ų63.745%0.4535%0.352SS..Hα-helixtrans-68.6-30.4172.8-78169.6000113L260 P627 K628 E629 L634 K635L260-L631 HydrophobicContact CD1-CD2 4Å; L260-L631 HydrophobicContact CD1-CG 4.34Å; L260-L631 HydrophobicContact CD2-CD2 4.42Å; L260-L631 HydrophobicContact CD2-CG 3.99Å; P627-L631 VanDerWaalsContact O-CB 3.27Å; P627-L631 WeakPolarHBondContact O-CB 3.3Å; P627-L631 WeakPolarHBondContact O-CD1 3.29Å; P627-L631 WeakPolarHBondContact O-CG 3.42Å; P627-L631 PolarHBondContact O-N 3.04Å; K628-L631 PolarHBondContact O-N 3.13Å; E629-L631 VanDerWaalsContact C-N 3.35Å; E629-L631 PolarHBondContact O-N 2.95Å; L631-L634 HydrophobicContact CD2-CD2 4.42Å; L631-K635 WeakPolarHBondContact O-CG 3.46Å; L631-K635 PolarHBondContact O-N 2.84Å
632A78.6Confident76.9Confident50 Ų5059.9 Ų59.941%0.41333%0.331SS..Hα-helixtrans-71.3-48.1173.100000111K628 E629 L630 L634 K635 C636K628-A632 WeakPolarHBondContact O-CB 3.26Å; K628-A632 PolarHBondContact O-N 2.89Å; E629-A632 WeakPolarHBondContact O-CB 3.41Å; E629-A632 PolarHBondContact O-N 2.76Å; E629-A632 VanDerWaalsContact O-N 3.16Å; L630-A632 VanDerWaalsContact C-N 3.35Å; A632-L634 VanDerWaalsContact C-N 3.32Å; A632-L634 PolarHBondContact O-N 2.83Å; A632-K635 PolarHBondContact O-N 3.11Å; A632-C636 PolarHBondContact O-N 2.83Å; A632-C636 PolarHBondContact O-SG 2.77Å
633L79.1Confident79.2Confident8 Ų861.4 Ų61.44%0.04233%0.328CS..Hα-helixtrans-57.6-44175.2-179.861.4000111.6I256 A525 L529 V533 E629 K635 C636 V637I256-L633 HydrophobicContact CD1-CD2 3.87Å; I256-L633 HydrophobicContact CD1-CG 3.72Å; I256-L633 HydrophobicContact CG1-CD2 3.94Å; I256-L633 HydrophobicContact CG1-CG 4.28Å; A525-L633 HydrophobicContact CB-CD1 4.11Å; L529-L633 HydrophobicContact CB-CD1 4.35Å; L529-L633 HydrophobicContact CD1-CB 4Å; L529-L633 HydrophobicContact CD1-CD1 3.71Å; L529-L633 HydrophobicContact CD1-CG 4.41Å; V533-L633 HydrophobicContact CG2-CD2 3.95Å; E629-L633 WeakPolarHBondContact O-CB 3.5Å; E629-L633 PolarHBondContact O-N 3.09Å; L633-K635 PolarHBondContact O-N 3.46Å; L633-C636 PolarHBondContact O-N 2.86Å; L633-V637 HydrophobicContact CD1-CG2 4.35Å; L633-V637 WeakPolarHBondContact O-CG2 3.46Å; L633-V637 PolarHBondContact O-N 2.88Å
634L84.8Confident81.2Confident14 Ų1458 Ų587%0.07331%0.309CS..Hα-helixtrans-55.4-49.9174.9179.462.4000111.7R253 I256 L257 L260 L630 L631 A632 C636 V637 E638R253-L634 HydrophobicContact CG-CD1 3.76Å; I256-L634 HydrophobicContact CG2-CB 3.91Å; I256-L634 HydrophobicContact CG2-CD1 4.39Å; L257-L634 HydrophobicContact CD2-CD1 4.14Å; L257-L634 HydrophobicContact CD2-CD2 3.71Å; L257-L634 HydrophobicContact CG-CD1 4.03Å; L257-L634 HydrophobicContact CG-CD2 4.48Å; L260-L634 HydrophobicContact CD1-CD2 3.98Å; L630-L634 VanDerWaalsContact O-CB 3.28Å; L630-L634 WeakPolarHBondContact O-CB 3.14Å; L630-L634 PolarHBondContact O-N 2.74Å; L631-L634 HydrophobicContact CD2-CD2 4.42Å; A632-L634 VanDerWaalsContact C-N 3.32Å; A632-L634 PolarHBondContact O-N 2.83Å; L634-C636 VanDerWaalsContact C-N 3.32Å; L634-C636 PolarHBondContact O-N 2.92Å; L634-V637 PolarHBondContact O-N 2.78Å; L634-E638 HydrophobicContact CD1-CG 4.25Å; L634-E638 WeakPolarHBondContact O-CB 3.49Å; L634-E638 WeakPolarHBondContact O-CG 3.24Å; L634-E638 PolarHBondContact O-N 3.39Å
635K85.4Confident83.1Confident148 Ų14855 Ų5564%0.64330%0.298SS*.Hα-helixtrans-62.3-37178.7-75.3177.3177.3-174.70112.9L631 A632 L633 A639L631-K635 WeakPolarHBondContact O-CG 3.46Å; L631-K635 PolarHBondContact O-N 2.84Å; A632-K635 PolarHBondContact O-N 3.11Å; L633-K635 PolarHBondContact O-N 3.46Å; K635-A639 WeakPolarHBondContact O-CB 3.49Å; K635-A639 PolarHBondContact O-N 3.03Å
636C85.4Confident84.8Confident57 Ų5757.5 Ų57.539%0.38532%0.315SS..Hα-helixtrans-67.5-43.1175.3-65.70000111.7A525 A632 L633 L634 A639 D640A525-C636 HydrophobicContact CB-CB 3.9Å; A632-C636 PolarHBondContact O-N 2.83Å; A632-C636 PolarHBondContact O-SG 2.77Å; L633-C636 PolarHBondContact O-N 2.86Å; L634-C636 VanDerWaalsContact C-N 3.32Å; L634-C636 PolarHBondContact O-N 2.92Å; C636-A639 PolarHBondContact O-N 3.41Å; C636-D640 PolarHBondContact O-N 2.7Å
637V83.2Confident85.7Confident4 Ų457.5 Ų57.52%0.02431%0.31CS..Hα-helixtrans-65.9-37.9176.1173.30000111.6L249 R253 I256 L633 L634 D640 I641L249-V637 HydrophobicContact CB-CG1 4.4Å; L249-V637 HydrophobicContact CD2-CG1 4.27Å; L249-V637 WeakPolarHBondContact O-CG1 3.23Å; R253-V637 HydrophobicContact CB-CG1 3.94Å; I256-V637 HydrophobicContact CD1-CB 4.41Å; I256-V637 HydrophobicContact CD1-CG2 3.86Å; L633-V637 HydrophobicContact CD1-CG2 4.35Å; L633-V637 WeakPolarHBondContact O-CG2 3.46Å; L633-V637 PolarHBondContact O-N 2.88Å; L634-V637 PolarHBondContact O-N 2.78Å; V637-D640 PolarHBondContact O-N 3.07Å; V637-I641 HydrophobicContact CG1-CD1 4.03Å; V637-I641 VanDerWaalsContact O-CG1 3.24Å; V637-I641 WeakPolarHBondContact O-CG1 3.35Å; V637-I641 PolarHBondContact O-N 2.77Å
638E88.9Confident86.6Confident70 Ų7056.4 Ų56.433%0.32730%0.301SS..Hα-helixtrans-66-37.2174.5-72.8-179147.500112.6R253 L634 A642R253-E638 HydrophobicContact CG-CG 4.46Å; R253-E638 IonicContact CZ-OE1 3.17Å; R253-E638 IonicContact NE-OE1 2.66Å; R253-E638 PolarHBondContact NE-OE1 2.95Å; R253-E638 IonicContact NH2-OE1 2.71Å; R253-E638 PolarHBondContact NH2-OE1 3.15Å; L634-E638 HydrophobicContact CD1-CG 4.25Å; L634-E638 WeakPolarHBondContact O-CB 3.49Å; L634-E638 WeakPolarHBondContact O-CG 3.24Å; L634-E638 PolarHBondContact O-N 3.39Å; E638-A642 PolarHBondContact O-N 3.45Å; E638-A642 VanDerWaalsContact O-N 3.1Å
639A88.4Confident87.5Confident50 Ų5054 Ų5441%0.41329%0.29SS..Hα-helixtrans-67.5-43.3172.500000112.3K635 C636 I641 A642 N643K635-A639 WeakPolarHBondContact O-CB 3.49Å; K635-A639 PolarHBondContact O-N 3.03Å; C636-A639 PolarHBondContact O-N 3.41Å; A639-I641 VanDerWaalsContact C-N 3.34Å; A639-I641 PolarHBondContact O-N 3.12Å; A639-A642 PolarHBondContact O-N 3.29Å; A639-N643 PolarHBondContact O-N 2.91Å; A639-N643 PolarHBondContact O-ND2 3.2Å
640D85.7Confident88.5Confident21 Ų2154.2 Ų54.211%0.11229%0.292CS..Hα-helixtrans-62.7-39.6175.7-77.8-14000111.3L249 C636 V637 N643 Y644L249-D640 HydrophobicContact CD1-CB 4.02Å; L249-D640 HydrophobicContact CD2-CB 4.23Å; C636-D640 PolarHBondContact O-N 2.7Å; V637-D640 PolarHBondContact O-N 3.07Å; D640-N643 PolarHBondContact O-N 3.44Å; D640-Y644 VanDerWaalsContact O-CD2 3.25Å; D640-Y644 WeakPolarHBondContact O-CD2 3.45Å; D640-Y644 PolarHBondContact O-N 3.2Å
641I90.5Very high89.4Confident15 Ų1554.6 Ų54.68%0.07729%0.293CS..Hα-helixtrans-58.2-51.3172.5-71.8164.7000110.5L246 L249 K250 R253 V637 A639 N643 Y644 E645L246-I641 HydrophobicContact CD2-CB 4.45Å; L246-I641 HydrophobicContact CD2-CG2 4.11Å; L246-I641 WeakPolarHBondContact CD2-O 3.35Å; L249-I641 HydrophobicContact CB-CD1 4.2Å; L249-I641 HydrophobicContact CB-CG1 3.6Å; L249-I641 HydrophobicContact CD1-CG1 4.4Å; K250-I641 HydrophobicContact CG-CD1 3.99Å; K250-I641 HydrophobicContact CG-CG1 4.38Å; R253-I641 HydrophobicContact CB-CD1 4.15Å; V637-I641 HydrophobicContact CG1-CD1 4.03Å; V637-I641 VanDerWaalsContact O-CG1 3.24Å; V637-I641 WeakPolarHBondContact O-CG1 3.35Å; V637-I641 PolarHBondContact O-N 2.77Å; A639-I641 VanDerWaalsContact C-N 3.34Å; A639-I641 PolarHBondContact O-N 3.12Å; I641-N643 VanDerWaalsContact C-N 3.29Å; I641-N643 PolarHBondContact O-N 3.12Å; I641-Y644 PolarHBondContact O-N 3.03Å; I641-E645 HydrophobicContact CG2-CG 4.24Å; I641-E645 WeakPolarHBondContact O-CG 3.25Å; I641-E645 PolarHBondContact O-N 2.81Å
642A93.2Very high90Very high49 Ų4953.1 Ų53.141%0.40529%0.288SS..Hα-helixtrans-59.5-39.4-179.400000112.4E638 A639 V646E638-A642 PolarHBondContact O-N 3.45Å; E638-A642 VanDerWaalsContact O-N 3.1Å; A639-A642 PolarHBondContact O-N 3.29Å; A642-V646 WeakPolarHBondContact O-CG2 3.49Å; A642-V646 PolarHBondContact O-N 3.27Å
643N91.9Very high90.8Very high78 Ų7855.5 Ų55.542%0.41729%0.29SS..Hα-helixtrans-63.6-48.6175.6-65.4-29.9000111.8A639 D640 I641 E645 V646 F647A639-N643 PolarHBondContact O-N 2.91Å; A639-N643 PolarHBondContact O-ND2 3.2Å; D640-N643 PolarHBondContact O-N 3.44Å; I641-N643 VanDerWaalsContact C-N 3.29Å; I641-N643 PolarHBondContact O-N 3.12Å; N643-E645 VanDerWaalsContact C-N 3.34Å; N643-E645 PolarHBondContact O-N 3Å; N643-V646 PolarHBondContact O-N 2.85Å; N643-F647 HydrophobicContact CB-CE2 4.27Å; N643-F647 VanDerWaalsContact O-CD2 3.3Å; N643-F647 WeakPolarHBondContact O-CD2 3.48Å; N643-F647 WeakPolarHBondContact O-CG 3.46Å; N643-F647 PolarHBondContact O-N 2.68Å
644Y92.4Very high91.6Very high17 Ų1758.2 Ų58.27%0.06730%0.302CS..Hα-helixtrans-70.5-26.5179.6-78.7-68.2000113.4Y242 K245 L249 D640 I641 F647 L648Y242-Y644 AromaticContact CD1-CD1 3.6Å; Y242-Y644 HydrophobicContact CD1-CD1 3.6Å; Y242-Y644 AromaticContact CD1-CE1 3.83Å; Y242-Y644 HydrophobicContact CD1-CE1 3.83Å; Y242-Y644 HydrophobicContact CE1-CD1 4.18Å; Y242-Y644 HydrophobicContact CE1-CE1 4.12Å; Y242-Y644 HydrophobicContact CG-CD1 4.41Å; K245-Y644 HydrophobicContact CG-CD1 4.36Å; K245-Y644 HydrophobicContact CG-CD2 4Å; K245-Y644 HydrophobicContact CG-CE1 4.07Å; K245-Y644 HydrophobicContact CG-CE2 3.67Å; K245-Y644 HydrophobicContact CG-CG 4.34Å; L249-Y644 HydrophobicContact CD1-CD2 3.5Å; L249-Y644 VanDerWaalsContact CD1-CD2 3.5Å; L249-Y644 HydrophobicContact CD1-CE2 3.95Å; L249-Y644 HydrophobicContact CD1-CG 4.48Å; D640-Y644 VanDerWaalsContact O-CD2 3.25Å; D640-Y644 WeakPolarHBondContact O-CD2 3.45Å; D640-Y644 PolarHBondContact O-N 3.2Å; I641-Y644 PolarHBondContact O-N 3.03Å; Y644-F647 AromaticContact CD1-CD2 3.99Å; Y644-F647 HydrophobicContact CD1-CD2 3.99Å; Y644-F647 HydrophobicContact CE1-CD2 4.38Å; Y644-L648 VanDerWaalsContact O-CB 3.31Å; Y644-L648 WeakPolarHBondContact O-CB 3.44Å; Y644-L648 PolarHBondContact O-N 3.36Å
645E95Very high92.1Very high91 Ų9158 Ų5843%0.42530%0.3SS..Hα-helixtrans-68.3-34.4171.3-73.8-176.9158.200111.8L246 K250 I641 N643 K649L246-E645 HydrophobicContact CD1-CG 3.85Å; L246-E645 HydrophobicContact CD2-CG 3.64Å; L246-E645 HydrophobicContact CG-CG 4.42Å; K250-E645 WeakPolarHBondContact CE-OE1 3.43Å; K250-E645 IonicContact NZ-OE1 3.82Å; K250-E645 PolarHBondContact NZ-OE1 2.75Å; I641-E645 HydrophobicContact CG2-CG 4.24Å; I641-E645 WeakPolarHBondContact O-CG 3.25Å; I641-E645 PolarHBondContact O-N 2.81Å; N643-E645 VanDerWaalsContact C-N 3.34Å; N643-E645 PolarHBondContact O-N 3Å; E645-K649 WeakPolarHBondContact O-CB 3.47Å; E645-K649 PolarHBondContact O-N 2.74Å; E645-K649 VanDerWaalsContact O-N 3.11Å
646V95.7Very high92.6Very high75 Ų7555.6 Ų55.646%0.45529%0.29SS..Hα-helixtrans-66.9-51.2170.1173.20000110.9A642 N643 L648 K649 E650A642-V646 WeakPolarHBondContact O-CG2 3.49Å; A642-V646 PolarHBondContact O-N 3.27Å; N643-V646 PolarHBondContact O-N 2.85Å; V646-L648 VanDerWaalsContact C-N 3.32Å; V646-L648 PolarHBondContact O-N 2.64Å; V646-K649 WeakPolarHBondContact O-CB 3.5Å; V646-K649 PolarHBondContact O-N 3.04Å; V646-E650 HydrophobicContact CG1-CG 4.29Å; V646-E650 WeakPolarHBondContact O-CG 3.21Å; V646-E650 PolarHBondContact O-N 3.45Å
647F93.2Very high93.1Very high41 Ų4159 Ų5918%0.1830%0.298CS..Hα-helixtrans-61-37.8-179.8-60.7-40000113.2Y242 L518 H522 N643 Y644 E651Y242-F647 HydrophobicContact CD1-CB 4.36Å; Y242-F647 HydrophobicContact CD2-CB 4.06Å; Y242-F647 HydrophobicContact CE1-CB 4.15Å; Y242-F647 HydrophobicContact CE2-CB 3.87Å; Y242-F647 HydrophobicContact CG-CB 4.32Å; L518-F647 HydrophobicContact CD2-CZ 4.03Å; H522-F647 AromaticContact CE1-CE2 3.89Å; H522-F647 AromaticContact NE2-CE2 3.73Å; N643-F647 HydrophobicContact CB-CE2 4.27Å; N643-F647 VanDerWaalsContact O-CD2 3.3Å; N643-F647 WeakPolarHBondContact O-CD2 3.48Å; N643-F647 WeakPolarHBondContact O-CG 3.46Å; N643-F647 PolarHBondContact O-N 2.68Å; Y644-F647 AromaticContact CD1-CD2 3.99Å; Y644-F647 HydrophobicContact CD1-CD2 3.99Å; Y644-F647 HydrophobicContact CE1-CD2 4.38Å; F647-E651 PolarHBondContact O-N 3.37Å; F647-E651 VanDerWaalsContact O-N 3.1Å
648L95.4Very high93.7Very high31 Ų3160.1 Ų60.116%0.16230%0.303CS..Hα-helixtrans-64-44.6173.1177.556.9000111.4R239 E243 L246 Y644 V646 E651 V652R239-L648 HydrophobicContact CB-CD1 3.82Å; R239-L648 HydrophobicContact CG-CD1 4.31Å; E243-L648 HydrophobicContact CG-CD1 3.74Å; E243-L648 HydrophobicContact CG-CD2 3.6Å; E243-L648 HydrophobicContact CG-CG 4.34Å; L246-L648 HydrophobicContact CD1-CB 4.29Å; L246-L648 HydrophobicContact CD1-CD2 3.75Å; Y644-L648 VanDerWaalsContact O-CB 3.31Å; Y644-L648 WeakPolarHBondContact O-CB 3.44Å; Y644-L648 PolarHBondContact O-N 3.36Å; V646-L648 VanDerWaalsContact C-N 3.32Å; V646-L648 PolarHBondContact O-N 2.64Å; L648-E651 PolarHBondContact O-N 2.87Å; L648-V652 HydrophobicContact CD1-CG2 4.09Å; L648-V652 WeakPolarHBondContact O-CB 3.45Å; L648-V652 VanDerWaalsContact O-CG2 3.27Å; L648-V652 WeakPolarHBondContact O-CG2 3.37Å; L648-V652 PolarHBondContact O-N 2.89Å
649K96.7Very high94Very high124 Ų12461 Ų6154%0.53931%0.305SS..Hα-helixtrans-60.3-46.6177.1-177.7-173.5166.7-1720111.4E645 V646 E651 V652 E653E645-K649 WeakPolarHBondContact O-CB 3.47Å; E645-K649 PolarHBondContact O-N 2.74Å; E645-K649 VanDerWaalsContact O-N 3.11Å; V646-K649 WeakPolarHBondContact O-CB 3.5Å; V646-K649 PolarHBondContact O-N 3.04Å; K649-E651 PolarHBondContact O-N 3.31Å; K649-V652 PolarHBondContact O-N 3.03Å; K649-E653 VanDerWaalsContact CE-CD 3.41Å; K649-E653 WeakPolarHBondContact CE-OE1 3.49Å; K649-E653 HydrophobicContact CG-CG 4.47Å; K649-E653 IonicContact NZ-OE1 3.86Å; K649-E653 PolarHBondContact NZ-OE1 2.91Å; K649-E653 WeakPolarHBondContact O-CG 3.47Å; K649-E653 PolarHBondContact O-N 3.07Å
650E95.6Very high94.2Very high107 Ų10760 Ų6050%0.529%0.293SS..Hα-helixtrans-60.3-44.7179.1-71.417316100111.9V646 V652 E653 K654V646-E650 HydrophobicContact CG1-CG 4.29Å; V646-E650 WeakPolarHBondContact O-CG 3.21Å; V646-E650 PolarHBondContact O-N 3.45Å; E650-V652 VanDerWaalsContact C-N 3.35Å; E650-V652 PolarHBondContact O-N 2.97Å; E650-E653 PolarHBondContact O-N 3.27Å; E650-K654 VanDerWaalsContact O-CB 3.28Å; E650-K654 WeakPolarHBondContact O-CB 3.36Å; E650-K654 PolarHBondContact O-N 3.03Å
651E94.5Very high94.6Very high11 Ų1161 Ų615%0.05130%0.298CS..Hα-helixtrans-70.4-29.9178.2-168.270.4-148.300112.4Q29 R238 R239 Y242 F647 L648 K649 K654 R655Q29-E651 PolarHBondContact NE2-OE1 3.39Å; Q29-E651 PolarHBondContact OE1-OE1 3.02Å; R238-E651 HydrophobicContact CB-CG 3.85Å; R239-E651 HydrophobicContact CG-CB 3.98Å; R239-E651 HydrophobicContact CG-CG 3.52Å; Y242-E651 HydrophobicContact CE2-CB 4.33Å; F647-E651 PolarHBondContact O-N 3.37Å; F647-E651 VanDerWaalsContact O-N 3.1Å; L648-E651 PolarHBondContact O-N 2.87Å; K649-E651 PolarHBondContact O-N 3.31Å; E651-K654 WeakPolarHBondContact OE1-CE 3.49Å; E651-K654 IonicContact OE1-NZ 3.57Å; E651-K654 PolarHBondContact OE1-NZ 3.46Å; E651-K654 IonicContact OE2-NZ 3.28Å; E651-K654 PolarHBondContact OE2-NZ 3.37Å; E651-R655 PolarHBondContact O-N 3.47Å
652V96.1Very high94.7Very high55 Ų5560.9 Ų60.933%0.33330%0.297SS..Hα-helixtrans-69.9-42.8170.7167.30000111.7R239 L648 K649 E650 R655 K656R239-V652 HydrophobicContact CG-CG2 4.23Å; L648-V652 HydrophobicContact CD1-CG2 4.09Å; L648-V652 WeakPolarHBondContact O-CB 3.45Å; L648-V652 VanDerWaalsContact O-CG2 3.27Å; L648-V652 WeakPolarHBondContact O-CG2 3.37Å; L648-V652 PolarHBondContact O-N 2.89Å; K649-V652 PolarHBondContact O-N 3.03Å; E650-V652 VanDerWaalsContact C-N 3.35Å; E650-V652 PolarHBondContact O-N 2.97Å; V652-R655 PolarHBondContact O-N 2.83Å; V652-K656 PolarHBondContact O-N 2.9Å
653E96.3Very high94.6Very high100 Ų10063.2 Ų63.247%0.46730%0.3SS..Hα-helixtrans-66.9-37.5176.1-74.2179.4167.300111.6K649 E650 K656 K657K649-E653 VanDerWaalsContact CE-CD 3.41Å; K649-E653 WeakPolarHBondContact CE-OE1 3.49Å; K649-E653 HydrophobicContact CG-CG 4.47Å; K649-E653 IonicContact NZ-OE1 3.86Å; K649-E653 PolarHBondContact NZ-OE1 2.91Å; K649-E653 WeakPolarHBondContact O-CG 3.47Å; K649-E653 PolarHBondContact O-N 3.07Å; E650-E653 PolarHBondContact O-N 3.27Å; E653-K656 WeakPolarHBondContact O-CB 3.45Å; E653-K656 PolarHBondContact O-N 3.23Å; E653-K657 PolarHBondContact O-N 3.15Å
654K95.1Very high94.5Very high65 Ų6563.4 Ų63.428%0.28330%0.295SS..Hα-helixtrans-58.1-46168175.6-176167.3-156.70111.9E31 E650 E651 K656 K657 F658E31-K654 IonicContact OE1-NZ 2.64Å; E650-K654 VanDerWaalsContact O-CB 3.28Å; E650-K654 WeakPolarHBondContact O-CB 3.36Å; E650-K654 PolarHBondContact O-N 3.03Å; E651-K654 WeakPolarHBondContact OE1-CE 3.49Å; E651-K654 IonicContact OE1-NZ 3.57Å; E651-K654 PolarHBondContact OE1-NZ 3.46Å; E651-K654 IonicContact OE2-NZ 3.28Å; E651-K654 PolarHBondContact OE2-NZ 3.37Å; K654-K656 PolarHBondContact O-N 2.98Å; K654-K657 WeakPolarHBondContact O-CB 3.44Å; K654-K657 PolarHBondContact O-N 2.85Å; K654-F658 HydrophobicContact CD-CZ 4.44Å; K654-F658 HydrophobicContact CG-CE1 4.23Å; K654-F658 HydrophobicContact CG-CE2 4.11Å; K654-F658 HydrophobicContact CG-CZ 3.82Å; K654-F658 WeakPolarHBondContact O-CG 3.24Å; K654-F658 PolarHBondContact O-N 2.94Å
655R94.9Very high94.3Very high8 Ų864.3 Ų64.33%0.0330%0.298CS..Hα-helixtrans-66.2-35175.8-167.666.359.1102.78.8112.7T17 E21 D237 E651 V652 K659T17-R655 VanDerWaalsContact CG2-CZ 3.43Å; E21-R655 IonicContact OE1-CZ 3.86Å; E21-R655 IonicContact OE1-NH1 3.87Å; E21-R655 PolarHBondContact OE1-NH1 3.04Å; D237-R655 VanDerWaalsContact CG-NH2 3.3Å; D237-R655 IonicContact OD1-NH2 2.75Å; D237-R655 PolarHBondContact OD1-NH2 3.02Å; D237-R655 IonicContact OD2-CZ 2.72Å; D237-R655 VanDerWaalsContact OD2-CZ 3.29Å; D237-R655 IonicContact OD2-NH1 3.13Å; D237-R655 PolarHBondContact OD2-NH1 3.13Å; D237-R655 IonicContact OD2-NH2 3.71Å; D237-R655 PolarHBondContact OD2-NH2 3.47Å; E651-R655 PolarHBondContact O-N 3.47Å; V652-R655 PolarHBondContact O-N 2.83Å; R655-K659 PolarHBondContact O-N 3.42Å
656K95.9Very high94.1Very high99 Ų9961.9 Ų61.943%0.4329%0.289SS..Hα-helixtrans-61.5-49.7169.1-81-166.2171.6-164.40111.2E355 V652 E653 K654 F658 K659 I660E355-K656 IonicContact OE1-NZ 3.74Å; E355-K656 PolarHBondContact OE1-NZ 3.42Å; E355-K656 IonicContact OE2-NZ 3.01Å; V652-K656 PolarHBondContact O-N 2.9Å; E653-K656 WeakPolarHBondContact O-CB 3.45Å; E653-K656 PolarHBondContact O-N 3.23Å; K654-K656 PolarHBondContact O-N 2.98Å; K656-F658 VanDerWaalsContact C-N 3.3Å; K656-F658 PolarHBondContact O-N 3.05Å; K656-K659 PolarHBondContact O-N 3.33Å; K656-I660 PolarHBondContact O-N 3.23Å; K656-I660 VanDerWaalsContact O-N 3.1Å
657K95.9Very high93.7Very high127 Ų12762.4 Ų62.455%0.55229%0.287SS*.Hα-helixtrans-54.9-45.6179.4-178.9-175171.6-170.20111.4E653 K654 K659 I660 D661E653-K657 PolarHBondContact O-N 3.15Å; K654-K657 WeakPolarHBondContact O-CB 3.44Å; K654-K657 PolarHBondContact O-N 2.85Å; K657-K659 VanDerWaalsContact C-N 3.28Å; K657-K659 PolarHBondContact O-N 3.27Å; K657-I660 PolarHBondContact O-N 3.48Å; K657-I660 VanDerWaalsContact O-N 3.12Å; K657-D661 WeakPolarHBondContact CE-OD2 3.42Å; K657-D661 WeakPolarHBondContact CG-OD2 3.32Å; K657-D661 PolarHBondContact O-N 2.95Å
658F95.6Very high93.3Very high29 Ų2963.5 Ų63.513%0.12729%0.294CS..Hα-helixtrans-54-43.1176-65.5-21.5000112.5G14 L18 K654 K656 D662G14-F658 VanDerWaalsContact CA-CG 3.47Å; L18-F658 HydrophobicContact CD1-CB 4.39Å; K654-F658 HydrophobicContact CD-CZ 4.44Å; K654-F658 HydrophobicContact CG-CE1 4.23Å; K654-F658 HydrophobicContact CG-CE2 4.11Å; K654-F658 HydrophobicContact CG-CZ 3.82Å; K654-F658 WeakPolarHBondContact O-CG 3.24Å; K654-F658 PolarHBondContact O-N 2.94Å; K656-F658 VanDerWaalsContact C-N 3.3Å; K656-F658 PolarHBondContact O-N 3.05Å; F658-D662 VanDerWaalsContact O-CB 3.23Å; F658-D662 WeakPolarHBondContact O-CB 3.49Å; F658-D662 PolarHBondContact O-N 2.8Å
659K95.4Very high92.9Very high89 Ų8966.4 Ų66.439%0.38730%0.304SS..Hα-helixtrans-69.6-35.8178.6-64-178.6-170.6-103.40112.6L18 E21 R655 K656 K657 Q663L18-K659 HydrophobicContact CD1-CG 4.05Å; L18-K659 HydrophobicContact CD2-CD 4.2Å; L18-K659 HydrophobicContact CD2-CG 3.53Å; L18-K659 HydrophobicContact CG-CG 4.46Å; E21-K659 IonicContact OE2-NZ 2.71Å; E21-K659 PolarHBondContact OE2-NZ 2.95Å; R655-K659 PolarHBondContact O-N 3.42Å; K656-K659 PolarHBondContact O-N 3.33Å; K657-K659 VanDerWaalsContact C-N 3.28Å; K657-K659 PolarHBondContact O-N 3.27Å; K659-Q663 WeakPolarHBondContact O-CB 3.39Å; K659-Q663 VanDerWaalsContact O-CG 3.25Å; K659-Q663 WeakPolarHBondContact O-CG 3.28Å; K659-Q663 PolarHBondContact O-N 3.36Å
660I94.3Very high92.3Very high28 Ų2862.9 Ų62.914%0.14429%0.291CS..Hα-helixtrans-68.7-45.1175.9-64.2168.5000111.1M352 K656 K657 D662 Q663 R664M352-I660 HydrophobicContact CG-CD1 4.22Å; M352-I660 HydrophobicContact CG-CG2 4.14Å; K656-I660 PolarHBondContact O-N 3.23Å; K656-I660 VanDerWaalsContact O-N 3.1Å; K657-I660 PolarHBondContact O-N 3.48Å; K657-I660 VanDerWaalsContact O-N 3.12Å; I660-D662 VanDerWaalsContact C-N 3.35Å; I660-Q663 PolarHBondContact O-N 3.33Å; I660-R664 WeakPolarHBondContact O-CG 3.5Å; I660-R664 PolarHBondContact O-N 3.31Å
661D92.6Very high91.8Very high41 Ų4162.3 Ų62.322%0.21929%0.288CS..Hα-helixtrans-72.4-30-179.7-70.1-22000111.7K657 R664 R665K657-D661 WeakPolarHBondContact CE-OD2 3.42Å; K657-D661 WeakPolarHBondContact CG-OD2 3.32Å; K657-D661 PolarHBondContact O-N 2.95Å; D661-R664 WeakPolarHBondContact O-CB 3.44Å; D661-R664 PolarHBondContact O-N 3.23Å; D661-R664 WeakPolarHBondContact OD1-CD 3.22Å; D661-R664 IonicContact OD1-CZ 2.62Å; D661-R664 IonicContact OD1-NH1 3.61Å; D661-R664 PolarHBondContact OD1-NH1 3.22Å; D661-R665 WeakPolarHBondContact O-CG 3.34Å; D661-R665 PolarHBondContact O-N 3.49Å
662D92.7Very high91.5Very high13 Ų1364.1 Ų64.17%0.0730%0.296CS..Hα-helixtrans-67.6-44.4170.1-161.869.2000112.8L18 H145 F658 I660 R664 R665 T666L18-D662 HydrophobicContact CD1-CB 3.65Å; H145-D662 IonicContact CE1-OD2 2.73Å; H145-D662 PolarHBondContact CE1-OD2 3.24Å; H145-D662 IonicContact CG-OD2 3.49Å; H145-D662 IonicContact ND1-OD1 3.35Å; H145-D662 PolarHBondContact ND1-OD1 2.85Å; H145-D662 IonicContact ND1-OD2 2.92Å; H145-D662 PolarHBondContact ND1-OD2 3.34Å; F658-D662 VanDerWaalsContact O-CB 3.23Å; F658-D662 WeakPolarHBondContact O-CB 3.49Å; F658-D662 PolarHBondContact O-N 2.8Å; I660-D662 VanDerWaalsContact C-N 3.35Å; D662-R664 PolarHBondContact O-N 3.4Å; D662-R665 PolarHBondContact O-N 2.99Å; D662-R665 VanDerWaalsContact O-N 3.13Å; D662-R665 IonicContact OD1-CZ 2.74Å; D662-R665 IonicContact OD1-NE 2.87Å; D662-R665 PolarHBondContact OD1-NE 2.76Å; D662-R665 IonicContact OD1-NH2 3.81Å; D662-R665 PolarHBondContact OD1-NH2 3.35Å; D662-T666 WeakPolarHBondContact O-CB 3.44Å; D662-T666 VanDerWaalsContact O-CG2 3.3Å; D662-T666 WeakPolarHBondContact O-CG2 3.43Å; D662-T666 PolarHBondContact O-N 3.03Å; D662-T666 PolarHBondContact O-OG1 2.82Å
663Q91.1Very high91.1Very high98 Ų9865.3 Ų65.346%0.45830%0.3SS..Hα-helixtrans-57.2-38.9170.9-75.7172.1-2.800111.7K659 I660 T666 H667K659-Q663 WeakPolarHBondContact O-CB 3.39Å; K659-Q663 VanDerWaalsContact O-CG 3.25Å; K659-Q663 WeakPolarHBondContact O-CG 3.28Å; K659-Q663 PolarHBondContact O-N 3.36Å; I660-Q663 PolarHBondContact O-N 3.33Å; Q663-T666 WeakPolarHBondContact CA-OG1 3.27Å; Q663-T666 PolarHBondContact O-N 3.29Å; Q663-T666 PolarHBondContact O-OG1 3.37Å; Q663-H667 WeakPolarHBondContact O-CB 3.35Å; Q663-H667 PolarHBondContact O-N 3.28Å
664R90.8Very high90.7Very high82 Ų8264.1 Ų64.131%0.30930%0.301SS..Hα-helixtrans-66-37.6174.9-73.5163.3163.8158.5-1.4113.4M352 I660 D661 D662 Y669M352-R664 PolarHBondContact SD-NH2 3.2Å; I660-R664 WeakPolarHBondContact O-CG 3.5Å; I660-R664 PolarHBondContact O-N 3.31Å; D661-R664 WeakPolarHBondContact O-CB 3.44Å; D661-R664 PolarHBondContact O-N 3.23Å; D661-R664 WeakPolarHBondContact OD1-CD 3.22Å; D661-R664 IonicContact OD1-CZ 2.62Å; D661-R664 IonicContact OD1-NH1 3.61Å; D661-R664 PolarHBondContact OD1-NH1 3.22Å; D662-R664 PolarHBondContact O-N 3.4Å; R664-Y669 WeakPolarHBondContact O-CE2 3.41Å
665R88.5Confident90.4Very high37 Ų3763.6 Ų63.614%0.1430%0.304CS..Hα-helixtrans-69.1-37.7175.6-72.9-178.1-64.6-117.611.1112.6E10 D12 D661 D662E10-R665 WeakPolarHBondContact OE2-CD 3.34Å; D12-R665 IonicContact OD1-CZ 2.76Å; D12-R665 VanDerWaalsContact OD1-CZ 3.25Å; D12-R665 IonicContact OD1-NH1 3.59Å; D12-R665 PolarHBondContact OD1-NH1 3.49Å; D12-R665 IonicContact OD1-NH2 2.62Å; D12-R665 PolarHBondContact OD1-NH2 2.99Å; D12-R665 VanDerWaalsContact OD1-NH2 3.08Å; D661-R665 WeakPolarHBondContact O-CG 3.34Å; D661-R665 PolarHBondContact O-N 3.49Å; D662-R665 PolarHBondContact O-N 2.99Å; D662-R665 VanDerWaalsContact O-N 3.13Å; D662-R665 IonicContact OD1-CZ 2.74Å; D662-R665 IonicContact OD1-NE 2.87Å; D662-R665 PolarHBondContact OD1-NE 2.76Å; D662-R665 IonicContact OD1-NH2 3.81Å; D662-R665 PolarHBondContact OD1-NH2 3.35Å
666T89.2Confident90.2Very high39 Ų3966.7 Ų66.724%0.23932%0.318CS..Hα-helixtrans-92.3-16.3-170.356.60000113.4S144 P148 D662 Q663S144-T666 WeakPolarHBondContact O-CG2 3.43Å; P148-T666 WeakPolarHBondContact CD-O 3.4Å; P148-T666 WeakPolarHBondContact CG-O 3.31Å; D662-T666 WeakPolarHBondContact O-CB 3.44Å; D662-T666 VanDerWaalsContact O-CG2 3.3Å; D662-T666 WeakPolarHBondContact O-CG2 3.43Å; D662-T666 PolarHBondContact O-N 3.03Å; D662-T666 PolarHBondContact O-OG1 2.82Å; Q663-T666 WeakPolarHBondContact CA-OG1 3.27Å; Q663-T666 PolarHBondContact O-N 3.29Å; Q663-T666 PolarHBondContact O-OG1 3.37Å
667H87.7Confident89.9Confident87 Ų8765.7 Ų65.740%0.40332%0.316SS..SBendtrans-69.1135.7177.6-171.986.4000112.8Q663 Y669Q663-H667 WeakPolarHBondContact O-CB 3.35Å; Q663-H667 PolarHBondContact O-N 3.28Å; H667-Y669 HydrophobicContact CB-CE2 4.17Å; H667-Y669 AromaticContact CD2-CD1 3.7Å; H667-Y669 AromaticContact CD2-CE1 3.62Å; H667-Y669 AromaticContact CD2-CG 4Å; H667-Y669 AromaticContact CD2-CZ 3.87Å; H667-Y669 WeakPolarHBondContact O-CD2 3.32Å; H667-Y669 PolarHBondContact O-N 2.94Å
668N85.6Confident89.6Confident63 Ų6362.6 Ų62.634%0.33731%0.311SS..  trans-89.395.5178.2-172.80.4000112.1P148 D670P148-N668 HydrophobicContact CB-CB 4.37Å; P148-N668 HydrophobicContact CG-CB 4.14Å; N668-D670 PolarHBondContact O-N 2.96Å; N668-D670 WeakPolarHBondContact OD1-CB 3.16Å; N668-D670 VanDerWaalsContact OD1-CG 3.31Å; N668-D670 PolarHBondContact OD1-N 3.27Å
669Y86.8Confident89.3Confident93 Ų9362.6 Ų62.637%0.36531%0.311SS..THydrogen-bonded Turntrans-71.1-6.7176.9-63-78.3000115.1R664 H667 E671 F672 I673R664-Y669 WeakPolarHBondContact O-CE2 3.41Å; H667-Y669 HydrophobicContact CB-CE2 4.17Å; H667-Y669 AromaticContact CD2-CD1 3.7Å; H667-Y669 AromaticContact CD2-CE1 3.62Å; H667-Y669 AromaticContact CD2-CG 4Å; H667-Y669 AromaticContact CD2-CZ 3.87Å; H667-Y669 WeakPolarHBondContact O-CD2 3.32Å; H667-Y669 PolarHBondContact O-N 2.94Å; Y669-E671 VanDerWaalsContact C-N 3.26Å; Y669-E671 PolarHBondContact O-N 3.38Å; Y669-F672 PolarHBondContact O-N 3.35Å; Y669-I673 WeakPolarHBondContact O-CB 3.36Å; Y669-I673 WeakPolarHBondContact O-CD1 3.27Å; Y669-I673 VanDerWaalsContact O-CG1 3.26Å; Y669-I673 WeakPolarHBondContact O-CG1 3.49Å; Y669-I673 PolarHBondContact O-N 3.02Å
670D84Confident89.1Confident49 Ų4959.5 Ų59.526%0.26230%0.299SS..Hα-helixtrans-52-44-179.6-81.4-9.1000112.1R151 N668 I673 C674R151-D670 VanDerWaalsContact CD-OD2 3.27Å; R151-D670 WeakPolarHBondContact CD-OD2 3.42Å; R151-D670 WeakPolarHBondContact CG-OD2 3.34Å; R151-D670 IonicContact NE-OD2 2.85Å; N668-D670 PolarHBondContact O-N 2.96Å; N668-D670 WeakPolarHBondContact OD1-CB 3.16Å; N668-D670 VanDerWaalsContact OD1-CG 3.31Å; N668-D670 PolarHBondContact OD1-N 3.27Å; D670-I673 PolarHBondContact O-N 3.35Å; D670-C674 VanDerWaalsContact O-CB 3.29Å; D670-C674 WeakPolarHBondContact O-CB 3.16Å; D670-C674 PolarHBondContact O-N 3.18Å; D670-C674 PolarHBondContact O-SG 2.99Å; D670-C674 VanDerWaalsContact O-SG 3.35Å
671E84.4Confident88.8Confident96 Ų9660.8 Ų60.845%0.44931%0.314SS..Hα-helixtrans-68.7-41.1-176.2-171.8163.8-130.900112.1Y347 Y669 T675Y347-E671 HydrophobicContact CE1-CB 4.15Å; Y347-E671 HydrophobicContact CE1-CG 3.93Å; Y347-E671 VanDerWaalsContact CE1-OE2 3.29Å; Y347-E671 WeakPolarHBondContact CE1-OE2 3.25Å; Y347-E671 PolarHBondContact OH-OE2 3.05Å; Y669-E671 VanDerWaalsContact C-N 3.26Å; Y669-E671 PolarHBondContact O-N 3.38Å; E671-T675 VanDerWaalsContact O-CB 3.28Å; E671-T675 WeakPolarHBondContact O-CB 3.32Å; E671-T675 PolarHBondContact O-N 3.14Å; E671-T675 PolarHBondContact O-OG1 2.88Å
672F87.6Confident88.7Confident48 Ų4866.3 Ų66.321%0.21134%0.339CS..Hα-helixtrans-61.2-49.1171.6175.7-116.4000111.6Y347 Y669 T675 F676Y347-F672 HydrophobicContact CD1-CB 4.37Å; Y347-F672 HydrophobicContact CG-CB 4.46Å; Y669-F672 PolarHBondContact O-N 3.35Å; F672-T675 PolarHBondContact O-N 3.35Å; F672-F676 VanDerWaalsContact O-CB 3.29Å; F672-F676 WeakPolarHBondContact O-CB 3.38Å; F672-F676 PolarHBondContact O-N 3.38Å
673I88.5Confident88.6Confident80 Ų8070.3 Ų70.341%0.4136%0.357SS..Hα-helixtrans-63.2-46-177.6-67.9164.8000110.7Y669 D670 T675 F676 I677Y669-I673 WeakPolarHBondContact O-CB 3.36Å; Y669-I673 WeakPolarHBondContact O-CD1 3.27Å; Y669-I673 VanDerWaalsContact O-CG1 3.26Å; Y669-I673 WeakPolarHBondContact O-CG1 3.49Å; Y669-I673 PolarHBondContact O-N 3.02Å; D670-I673 PolarHBondContact O-N 3.35Å; I673-T675 PolarHBondContact O-N 3.02Å; I673-F676 PolarHBondContact O-N 3.18Å; I673-I677 HydrophobicContact CG2-CD1 3.7Å; I673-I677 HydrophobicContact CG2-CG1 4.49Å; I673-I677 WeakPolarHBondContact O-CB 3.39Å; I673-I677 VanDerWaalsContact O-CG1 3.26Å; I673-I677 WeakPolarHBondContact O-CG1 3.45Å; I673-I677 PolarHBondContact O-N 3.4Å
674C87.9Confident88.4Confident75 Ų7568 Ų6851%0.50736%0.36SS..Hα-helixtrans-61.7-41.6175.6-76.40000112.1D670 S678D670-C674 VanDerWaalsContact O-CB 3.29Å; D670-C674 WeakPolarHBondContact O-CB 3.16Å; D670-C674 PolarHBondContact O-N 3.18Å; D670-C674 PolarHBondContact O-SG 2.99Å; D670-C674 VanDerWaalsContact O-SG 3.35Å; C674-S678 VanDerWaalsContact O-CB 3.3Å; C674-S678 WeakPolarHBondContact O-CB 3.34Å; C674-S678 PolarHBondContact O-N 2.82Å; C674-S678 PolarHBondContact O-OG 3.09Å
675T89.6Confident88.2Confident54 Ų5468.4 Ų68.433%0.33137%0.366SS..Hα-helixtrans-66-48.2178.3-59.30000111.2L342 E671 F672 I673 S678 M679L342-T675 HydrophobicContact CD2-CG2 4.43Å; E671-T675 VanDerWaalsContact O-CB 3.28Å; E671-T675 WeakPolarHBondContact O-CB 3.32Å; E671-T675 PolarHBondContact O-N 3.14Å; E671-T675 PolarHBondContact O-OG1 2.88Å; F672-T675 PolarHBondContact O-N 3.35Å; I673-T675 PolarHBondContact O-N 3.02Å; T675-S678 WeakPolarHBondContact O-CB 3.46Å; T675-S678 PolarHBondContact O-N 3.35Å; T675-M679 PolarHBondContact O-N 2.74Å
676F90.6Very high88.1Confident73 Ų7368.9 Ų68.932%0.3237%0.371SS..Hα-helixtrans-61-46.1179-179.2-109.8000112.5L338 L342 F672 I673 S678 M679 L680L338-F676 HydrophobicContact CD2-CE2 4.37Å; L342-F676 HydrophobicContact CD1-CD2 4.09Å; F672-F676 VanDerWaalsContact O-CB 3.29Å; F672-F676 WeakPolarHBondContact O-CB 3.38Å; F672-F676 PolarHBondContact O-N 3.38Å; I673-F676 PolarHBondContact O-N 3.18Å; F676-S678 VanDerWaalsContact C-N 3.31Å; F676-S678 PolarHBondContact O-N 3.03Å; F676-M679 PolarHBondContact O-N 2.78Å; F676-L680 HydrophobicContact CD1-CD1 4.03Å; F676-L680 HydrophobicContact CE1-CD1 3.56Å; F676-L680 HydrophobicContact CE1-CG 4.34Å; F676-L680 HydrophobicContact CZ-CD1 3.85Å; F676-L680 HydrophobicContact CZ-CD2 4.47Å; F676-L680 HydrophobicContact CZ-CG 4.28Å; F676-L680 WeakPolarHBondContact O-CG 3.47Å; F676-L680 PolarHBondContact O-N 3.01Å
677I89.9Confident87.8Confident78 Ų7870.4 Ų70.440%0.439%0.388SS..Hα-helixtrans-63.7-37.7175.3-67.6170.5000111I673 L680 A681 L686I673-I677 HydrophobicContact CG2-CD1 3.7Å; I673-I677 HydrophobicContact CG2-CG1 4.49Å; I673-I677 WeakPolarHBondContact O-CB 3.39Å; I673-I677 VanDerWaalsContact O-CG1 3.26Å; I673-I677 WeakPolarHBondContact O-CG1 3.45Å; I673-I677 PolarHBondContact O-N 3.4Å; I677-L680 PolarHBondContact O-N 3.24Å; I677-A681 PolarHBondContact O-N 2.91Å; I677-L686 HydrophobicContact CG2-CD1 4.41Å; I677-L686 HydrophobicContact CG2-CD2 3.87Å
678S88.5Confident87.6Confident63 Ų6369.2 Ų69.244%0.44139%0.389SS..Hα-helixtrans-65.7-40.4177-600000112.1C674 T675 F676 A681 Q682C674-S678 VanDerWaalsContact O-CB 3.3Å; C674-S678 WeakPolarHBondContact O-CB 3.34Å; C674-S678 PolarHBondContact O-N 2.82Å; C674-S678 PolarHBondContact O-OG 3.09Å; T675-S678 WeakPolarHBondContact O-CB 3.46Å; T675-S678 PolarHBondContact O-N 3.35Å; F676-S678 VanDerWaalsContact C-N 3.31Å; F676-S678 PolarHBondContact O-N 3.03Å; S678-A681 WeakPolarHBondContact O-CB 3.5Å; S678-A681 PolarHBondContact O-N 2.94Å; S678-Q682 WeakPolarHBondContact O-CG 3.41Å; S678-Q682 PolarHBondContact O-N 2.66Å
679M90Very high87.5Confident28 Ų2869.6 Ų69.614%0.13839%0.391CS..Hα-helixtrans-66.9-43.6174.4-71.9-17564.500112.1F341 L342 T675 F676 A681 Q682 E683F341-M679 HydrophobicContact CD1-CE 4.44Å; L342-M679 HydrophobicContact CD1-CE 4.14Å; L342-M679 HydrophobicContact CD1-SD 3.98Å; L342-M679 HydrophobicContact CD2-SD 3.58Å; L342-M679 VanDerWaalsContact CD2-SD 3.58Å; L342-M679 HydrophobicContact CG-CE 3.95Å; L342-M679 HydrophobicContact CG-SD 3.62Å; T675-M679 PolarHBondContact O-N 2.74Å; F676-M679 PolarHBondContact O-N 2.78Å; M679-A681 PolarHBondContact O-N 2.99Å; M679-Q682 PolarHBondContact O-N 2.73Å; M679-Q682 VanDerWaalsContact O-N 3.08Å; M679-E683 WeakPolarHBondContact O-CG 3.42Å; M679-E683 PolarHBondContact O-N 3.09Å
680L90.4Very high87.3Confident24 Ų2468.5 Ų68.513%0.12639%0.393CS..Hα-helixtrans-59.3-29.4173.2-70.7178.5000112.8F676 I677 G684 M685 L686 L689F676-L680 HydrophobicContact CD1-CD1 4.03Å; F676-L680 HydrophobicContact CE1-CD1 3.56Å; F676-L680 HydrophobicContact CE1-CG 4.34Å; F676-L680 HydrophobicContact CZ-CD1 3.85Å; F676-L680 HydrophobicContact CZ-CD2 4.47Å; F676-L680 HydrophobicContact CZ-CG 4.28Å; F676-L680 WeakPolarHBondContact O-CG 3.47Å; F676-L680 PolarHBondContact O-N 3.01Å; I677-L680 PolarHBondContact O-N 3.24Å; L680-G684 PolarHBondContact O-N 2.75Å; L680-M685 HydrophobicContact CD2-CE 3.84Å; L680-M685 PolarHBondContact O-N 3.09Å; L680-M685 VanDerWaalsContact O-N 3.12Å; L680-L686 HydrophobicContact CB-CB 4Å; L680-L686 HydrophobicContact CB-CD1 4.38Å; L680-L686 WeakPolarHBondContact O-CB 3.33Å; L680-L686 PolarHBondContact O-N 3.06Å; L680-L689 HydrophobicContact CD1-CD1 4.37Å; L680-L689 HydrophobicContact CD2-CD1 4.35Å
681A89.3Confident87.2Confident56 Ų5672.5 Ų72.546%0.46341%0.411SS..Hα-helixtrans-74.3-42.4173.400000112.2I677 S678 M679 G684 L686I677-A681 PolarHBondContact O-N 2.91Å; S678-A681 WeakPolarHBondContact O-CB 3.5Å; S678-A681 PolarHBondContact O-N 2.94Å; M679-A681 PolarHBondContact O-N 2.99Å; A681-G684 PolarHBondContact O-N 3.11Å; A681-G684 VanDerWaalsContact O-N 3.12Å; A681-L686 HydrophobicContact CB-CB 4.43Å; A681-L686 HydrophobicContact CB-CD2 3.85Å
682Q89.5Confident86.9Confident157 Ų15773.2 Ų73.273%0.73441%0.414SS*.Hα-helixtrans-64.1-40.2176.6-71.4168.4-1.500112.2S678 M679 G684S678-Q682 WeakPolarHBondContact O-CG 3.41Å; S678-Q682 PolarHBondContact O-N 2.66Å; M679-Q682 PolarHBondContact O-N 2.73Å; M679-Q682 VanDerWaalsContact O-N 3.08Å; Q682-G684 PolarHBondContact O-N 3.1Å
683E90Very high86.3Confident97 Ų9775.3 Ų75.345%0.45343%0.427SS..THydrogen-bonded Turntrans-76.71.6174.6-64.8179.8163.600112.8M679 M685M679-E683 WeakPolarHBondContact O-CG 3.42Å; M679-E683 PolarHBondContact O-N 3.09Å; E683-M685 HydrophobicContact CB-CE 4.13Å; E683-M685 PolarHBondContact O-N 3.45Å; E683-M685 WeakPolarHBondContact OE2-CE 3.25Å
684G87.7Confident85.8Confident50 Ų5074.3 Ų74.352%0.51542%0.422SS..SBendtrans71.7-9.6177.600000115.7L680 A681 Q682 L686L680-G684 PolarHBondContact O-N 2.75Å; A681-G684 PolarHBondContact O-N 3.11Å; A681-G684 VanDerWaalsContact O-N 3.12Å; Q682-G684 PolarHBondContact O-N 3.1Å; G684-L686 PolarHBondContact O-N 2.95Å
685M86.6Confident84.7Confident89 Ų8972.4 Ų72.444%0.43841%0.41SS..Hα-helixtrans-68.7-30-174.8-64.1-166.8-67.700113.7L680 E683 A687 S688 L689L680-M685 HydrophobicContact CD2-CE 3.84Å; L680-M685 PolarHBondContact O-N 3.09Å; L680-M685 VanDerWaalsContact O-N 3.12Å; E683-M685 HydrophobicContact CB-CE 4.13Å; E683-M685 PolarHBondContact O-N 3.45Å; E683-M685 WeakPolarHBondContact OE2-CE 3.25Å; M685-A687 VanDerWaalsContact C-N 3.28Å; M685-A687 PolarHBondContact O-N 2.77Å; M685-S688 PolarHBondContact O-N 3.09Å; M685-S688 VanDerWaalsContact O-N 3.13Å; M685-L689 HydrophobicContact CB-CD1 4.23Å; M685-L689 PolarHBondContact O-N 2.93Å
686L87Confident83.3Confident47 Ų4773.3 Ų73.325%0.24642%0.415CS..Hα-helixtrans-55.5-40.6-175.9-175.964.5000112.8I677 L680 A681 G684 S688 L689 V690I677-L686 HydrophobicContact CG2-CD1 4.41Å; I677-L686 HydrophobicContact CG2-CD2 3.87Å; L680-L686 HydrophobicContact CB-CB 4Å; L680-L686 HydrophobicContact CB-CD1 4.38Å; L680-L686 WeakPolarHBondContact O-CB 3.33Å; L680-L686 PolarHBondContact O-N 3.06Å; A681-L686 HydrophobicContact CB-CB 4.43Å; A681-L686 HydrophobicContact CB-CD2 3.85Å; G684-L686 PolarHBondContact O-N 2.95Å; L686-S688 PolarHBondContact O-N 3.41Å; L686-L689 PolarHBondContact O-N 3.41Å; L686-V690 HydrophobicContact CD1-CG2 4.05Å; L686-V690 HydrophobicContact CG-CG2 4.29Å; L686-V690 WeakPolarHBondContact O-CB 3.4Å; L686-V690 VanDerWaalsContact O-CG2 3.25Å; L686-V690 WeakPolarHBondContact O-CG2 3.38Å; L686-V690 PolarHBondContact O-N 2.85Å
687A82Confident81.7Confident72 Ų7276.5 Ų76.560%0.59543%0.425SS*.Hα-helixtrans-62.3-43.5-179.700000111.9M685 E691M685-A687 VanDerWaalsContact C-N 3.28Å; M685-A687 PolarHBondContact O-N 2.77Å; A687-E691 WeakPolarHBondContact O-CB 3.17Å; A687-E691 PolarHBondContact O-N 2.76Å
688S83.4Confident80.1Confident61 Ų6181.3 Ų81.343%0.42744%0.438SS..Hα-helixtrans-66.1-46.9177.2-174.10000111.5M685 L686 V690 E691 Q692M685-S688 PolarHBondContact O-N 3.09Å; M685-S688 VanDerWaalsContact O-N 3.13Å; L686-S688 PolarHBondContact O-N 3.41Å; S688-V690 VanDerWaalsContact C-N 3.32Å; S688-V690 PolarHBondContact O-N 2.86Å; S688-E691 PolarHBondContact O-N 2.96Å; S688-Q692 WeakPolarHBondContact O-CB 3.47Å; S688-Q692 VanDerWaalsContact O-CG 3.25Å; S688-Q692 WeakPolarHBondContact O-CG 3.34Å; S688-Q692 PolarHBondContact O-N 3.42Å; S688-Q692 PolarHBondContact OG-NE2 2.87Å
689L83.7Confident78.5Confident71 Ų7188.8 Ų88.837%0.37246%0.457SS..Hα-helixtrans-59.5-40.5177.8-75.3161.5000112.5L680 M685 L686 N693L680-L689 HydrophobicContact CD1-CD1 4.37Å; L680-L689 HydrophobicContact CD2-CD1 4.35Å; M685-L689 HydrophobicContact CB-CD1 4.23Å; M685-L689 PolarHBondContact O-N 2.93Å; L686-L689 PolarHBondContact O-N 3.41Å; L689-N693 WeakPolarHBondContact O-CB 3.45Å; L689-N693 PolarHBondContact O-N 2.68Å; L689-N693 VanDerWaalsContact O-N 3.14Å; L689-N693 PolarHBondContact O-ND2 3.37Å
690V83.4Confident77Confident70 Ų7093.3 Ų93.342%0.42448%0.477SS..Hα-helixtrans-70.5-43.7176.5169.60000111.5L686 S688 N693 I694L686-V690 HydrophobicContact CD1-CG2 4.05Å; L686-V690 HydrophobicContact CG-CG2 4.29Å; L686-V690 WeakPolarHBondContact O-CB 3.4Å; L686-V690 VanDerWaalsContact O-CG2 3.25Å; L686-V690 WeakPolarHBondContact O-CG2 3.38Å; L686-V690 PolarHBondContact O-N 2.85Å; S688-V690 VanDerWaalsContact C-N 3.32Å; S688-V690 PolarHBondContact O-N 2.86Å; V690-N693 PolarHBondContact O-N 3.12Å; V690-I694 HydrophobicContact CG1-CD1 3.68Å; V690-I694 HydrophobicContact CG1-CG1 4.42Å; V690-I694 WeakPolarHBondContact O-CB 3.5Å; V690-I694 VanDerWaalsContact O-CG1 3.29Å; V690-I694 WeakPolarHBondContact O-CG1 3.5Å; V690-I694 PolarHBondContact O-N 2.73Å
691E81.3Confident75.1Confident133 Ų13395 Ų9562%0.62150%0.501SS*.Hα-helixtrans-65.5-39.2177.9-178.9162.1-139.600112.5A687 S688 S695A687-E691 WeakPolarHBondContact O-CB 3.17Å; A687-E691 PolarHBondContact O-N 2.76Å; S688-E691 PolarHBondContact O-N 2.96Å; E691-S695 VanDerWaalsContact O-CB 3.22Å; E691-S695 WeakPolarHBondContact O-CB 3.46Å; E691-S695 PolarHBondContact O-N 2.95Å; E691-S695 PolarHBondContact O-OG 3.15Å
692Q78.9Confident73.3Confident112 Ų11296.4 Ų96.452%0.52350%0.503SS..Hα-helixtrans-58.8-51.2172.3-73.3176.319.300111S688 I694 S695 V696S688-Q692 WeakPolarHBondContact O-CB 3.47Å; S688-Q692 VanDerWaalsContact O-CG 3.25Å; S688-Q692 WeakPolarHBondContact O-CG 3.34Å; S688-Q692 PolarHBondContact O-N 3.42Å; S688-Q692 PolarHBondContact OG-NE2 2.87Å; Q692-I694 PolarHBondContact O-N 3.34Å; Q692-S695 CarbonylContact O-C 3.58Å; Q692-S695 WeakPolarHBondContact O-CA 3.42Å; Q692-S695 WeakPolarHBondContact O-CB 3.44Å; Q692-S695 PolarHBondContact O-N 3.26Å; Q692-S695 VanDerWaalsContact O-N 3.09Å; Q692-V696 WeakPolarHBondContact O-CG2 3.29Å; Q692-V696 PolarHBondContact O-N 2.87Å
693N74.7Confident71.3Confident91 Ų9194.3 Ų94.349%0.48751%0.506SS..Hα-helixtrans-60.7-44.1179.4-92.3-82.3000113.3L689 V690 S695 V696 R697L689-N693 WeakPolarHBondContact O-CB 3.45Å; L689-N693 PolarHBondContact O-N 2.68Å; L689-N693 VanDerWaalsContact O-N 3.14Å; L689-N693 PolarHBondContact O-ND2 3.37Å; V690-N693 PolarHBondContact O-N 3.12Å; N693-S695 VanDerWaalsContact C-N 3.27Å; N693-S695 PolarHBondContact O-N 3.45Å; N693-V696 PolarHBondContact O-N 2.9Å; N693-R697 PolarHBondContact O-N 3.15Å; N693-R697 VanDerWaalsContact O-N 3.1Å
694I77Confident69.5Low60 Ų6094.7 Ų94.731%0.30851%0.51SS..Hα-helixtrans-62.1-38.3174.7-68.8168.4000110.6V690 Q692 R698V690-I694 HydrophobicContact CG1-CD1 3.68Å; V690-I694 HydrophobicContact CG1-CG1 4.42Å; V690-I694 WeakPolarHBondContact O-CB 3.5Å; V690-I694 VanDerWaalsContact O-CG1 3.29Å; V690-I694 WeakPolarHBondContact O-CG1 3.5Å; V690-I694 PolarHBondContact O-N 2.73Å; Q692-I694 PolarHBondContact O-N 3.34Å; I694-R698 WeakPolarHBondContact O-CG 3.22Å; I694-R698 PolarHBondContact O-N 2.99Å; I694-R698 VanDerWaalsContact O-N 3.09Å
695S65Low67.7Low35 Ų3595.2 Ų95.225%0.24552%0.515CS..Hα-helixtrans-71.3-37.5179.3-63.10000113.1E691 Q692 N693 R698 R699E691-S695 VanDerWaalsContact O-CB 3.22Å; E691-S695 WeakPolarHBondContact O-CB 3.46Å; E691-S695 PolarHBondContact O-N 2.95Å; E691-S695 PolarHBondContact O-OG 3.15Å; Q692-S695 CarbonylContact O-C 3.58Å; Q692-S695 WeakPolarHBondContact O-CA 3.42Å; Q692-S695 WeakPolarHBondContact O-CB 3.44Å; Q692-S695 PolarHBondContact O-N 3.26Å; Q692-S695 VanDerWaalsContact O-N 3.09Å; N693-S695 VanDerWaalsContact C-N 3.27Å; N693-S695 PolarHBondContact O-N 3.45Å; S695-R698 PolarHBondContact O-N 3.3Å; S695-R699 WeakPolarHBondContact O-CG 3.48Å; S695-R699 PolarHBondContact O-N 3.41Å; S695-R699 VanDerWaalsContact O-N 3.15Å
696V60.3Low65.7Low72 Ų72101.2 Ų101.244%0.43653%0.533SS..Hα-helixtrans-61.9-49.1172.6170.40000110.5Q692 N693 R698 R699 Q700Q692-V696 WeakPolarHBondContact O-CG2 3.29Å; Q692-V696 PolarHBondContact O-N 2.87Å; N693-V696 PolarHBondContact O-N 2.9Å; V696-R698 VanDerWaalsContact C-N 3.29Å; V696-R698 PolarHBondContact O-N 3.4Å; V696-R699 WeakPolarHBondContact O-CB 3.44Å; V696-R699 PolarHBondContact O-N 3.03Å; V696-Q700 PolarHBondContact O-N 3.33Å
697R57.3Low63.9Low140 Ų140106.8 Ų106.853%0.52856%0.562SS.*Hα-helixtrans-61.6-34.3177.9-69.9-174-179.5-155.30113.1N693 Q700 G701 V702N693-R697 PolarHBondContact O-N 3.15Å; N693-R697 VanDerWaalsContact O-N 3.1Å; R697-Q700 PolarHBondContact O-N 2.99Å; R697-G701 PolarHBondContact O-N 3.4Å; R697-V702 PolarHBondContact O-N 3.03Å
698R56Low62.2Low180 Ų180110.7 Ų110.768%0.67957%0.568SS**Hα-helixtrans-63.6-37.3171.4-74.6175-171.4165.56.1112.8I694 S695 V696I694-R698 WeakPolarHBondContact O-CG 3.22Å; I694-R698 PolarHBondContact O-N 2.99Å; I694-R698 VanDerWaalsContact O-N 3.09Å; S695-R698 PolarHBondContact O-N 3.3Å; V696-R698 VanDerWaalsContact C-N 3.29Å; V696-R698 PolarHBondContact O-N 3.4Å
699R55.2Low60.3Low220 Ų220116.4 Ų116.483%0.8359%0.585SS**Hα-helixtrans-71.7-34176.6-67.2176.7-169.2-172.34.9112.3S695 V696 G701S695-R699 WeakPolarHBondContact O-CG 3.48Å; S695-R699 PolarHBondContact O-N 3.41Å; S695-R699 VanDerWaalsContact O-N 3.15Å; V696-R699 WeakPolarHBondContact O-CB 3.44Å; V696-R699 PolarHBondContact O-N 3.03Å; R699-G701 PolarHBondContact O-N 3.33Å
700Q57.4Low58.4Low122 Ų122121.2 Ų121.257%0.5761%0.606SS**THydrogen-bonded Turntrans-79.35.7176.7-69.1174.5-24.700114.1V696 R697 V702V696-Q700 PolarHBondContact O-N 3.33Å; R697-Q700 PolarHBondContact O-N 2.99Å; Q700-V702 HydrophobicContact CB-CG2 4.48Å; Q700-V702 PolarHBondContact O-N 3.41Å; Q700-V702 VanDerWaalsContact O-N 3.15Å
701G52.1Low56.4Low60 Ų60129.7 Ų129.762%0.61963%0.63SS**THydrogen-bonded Turntrans730.4176.700000115.8R697 R699 S703R697-G701 PolarHBondContact O-N 3.4Å; R699-G701 PolarHBondContact O-N 3.33Å; G701-S703 PolarHBondContact O-N 3.43Å
702V51.8Low54.5Low86 Ų86132.7 Ų132.752%0.52164%0.641SS.*  trans-73.194179.3-177.30000109.3R697 Q700 I704R697-V702 PolarHBondContact O-N 3.03Å; Q700-V702 HydrophobicContact CB-CG2 4.48Å; Q700-V702 PolarHBondContact O-N 3.41Å; Q700-V702 VanDerWaalsContact O-N 3.15Å; V702-I704 PolarHBondContact O-N 3.4Å
703S47.6Very low52.9Low113 Ų113133.2 Ų133.279%0.7965%0.654SS**  trans-69.6100.5-175.258.50000112G701 G705G701-S703 PolarHBondContact O-N 3.43Å; S703-G705 PolarHBondContact O-N 3.32Å
704I51Low51.3Low104 Ų104135.6 Ų135.653%0.53367%0.667SS.*  trans-56.6127.5164.1-69.8174.3000108.3V702 R706V702-I704 PolarHBondContact O-N 3.4Å; I704-R706 PolarHBondContact O-N 3.31Å
705G49.3Very low49.7Very low61 Ų61144 Ų14463%0.62970%0.695SS**  trans-50.7132.3179.900000111.4S703 L707S703-G705 PolarHBondContact O-N 3.32Å; G705-L707 PolarHBondContact O-N 3.46Å
706R44.5Very low48.9Very low216 Ų216153.1 Ų153.182%0.81572%0.724SS**  trans-73.568.1-163.2-164.5-177.8-173.3164.17.1113.5I704 H708I704-R706 PolarHBondContact O-N 3.31Å; R706-H708 PolarHBondContact O-N 3.13Å
707L49.4Very low48.1Very low163 Ų163159.1 Ų159.185%0.85374%0.744SS**  trans-77.338.1-175.8-139.1166.1000113.1G705G705-L707 PolarHBondContact O-N 3.46Å
708H47.8Very low47.4Very low155 Ų155164.3 Ų164.372%0.71876%0.764SS**  trans-156110.5157.6-116.369.2000109.9R706R706-H708 PolarHBondContact O-N 3.13Å
709K43.7Very low46.7Very low181 Ų181161.4 Ų161.479%0.78777%0.771SS**  trans-133.387.8167.7-166176.5-174.7-178.90107.4R711K709-R711 PolarHBondContact O-N 3.48Å
710Q42.3Very low46.1Very low172 Ų172162.5 Ų162.580%0.80478%0.775SS**  trans-47.4133174.3-77.4179.9-27.700109.9K712Q710-K712 PolarHBondContact O-N 3.44Å
711R41.4Very low45.6Very low247 Ų247162.6 Ų162.693%0.93279%0.786SS**  trans-60.6108.6175-78.5178.5163.2-175.4-4.8108.9K709K709-R711 PolarHBondContact O-N 3.48Å
712K41.9Very low45Very low197 Ų197170 Ų17086%0.85780%0.797SS**PPolyproline II helixtrans-68135.2159.2-72.7-162173.5-168.90108Q710Q710-K712 PolarHBondContact O-N 3.44Å
713P44.4Very low44.5Very low122 Ų122175.8 Ų175.879%0.79282%0.815SS**PPolyproline II helixtrans-64142.4-18025.6-33.7000111.2R715P713-R715 PolarHBondContact O-N 3.03Å
714D42.1Very low44.3Very low142 Ų142174.2 Ų174.276%0.75981%0.809SS**PPolyproline II helixtrans-65.2120-176.6-177-0.4000111.2R716D714-R716 PolarHBondContact O-N 3.18Å
715R43.7Very low44Very low236 Ų236179.2 Ų179.289%0.89183%0.827SS**  trans-103.665.9-176.9-158.7178.6-177.1-167.90.4112.4P713P713-R715 PolarHBondContact O-N 3.03Å
716R46.7Very low43.7Very low226 Ų226186.8 Ų186.885%0.85384%0.836SS**  trans58.7109159.2-66.5-179.1172173.4-3.4116.3D714 R718D714-R716 PolarHBondContact O-N 3.18Å; R716-R718 PolarHBondContact O-N 3.18Å
717K44.2Very low43.6Very low199 Ų199188.3 Ų188.387%0.86585%0.853SS**  trans-49.2119.2155.4-62.4174.4-177.4174.50110.2
718R42.4Very low43.3Very low249 Ų249189.6 Ų189.694%0.9485%0.853SS**  trans-105.2118.2157.9-110.4-175174.2-176.3-1.9107.8R716R716-R718 PolarHBondContact O-N 3.18Å
719S42.8Very low43.1Very low118 Ų118191.4 Ų191.483%0.82586%0.86SS**PPolyproline II helixtrans-66.5138.8178.236.40000111.2
720R42.5Very low43.1Very low243 Ų243192 Ų19292%0.91786%0.864SS**PPolyproline II helixtrans-77.5131.3162.5-82179159.4-177-6.5108.4
721P45.7Very low43.1Very low125 Ų125193.2 Ų193.281%0.81287%0.868SS**PPolyproline II helixtrans-71.8147.917629.3-34000111.7
722Y38.9Very low43.2Very low216 Ų216189.8 Ų189.885%0.84786%0.864SS**PPolyproline II helixtrans-77.9126.4-179.5-175.6-98000110.7A724Y722-A724 PolarHBondContact O-N 3.11Å; Y722-A724 VanDerWaalsContact O-N 3.11Å
723K42.2Very low43.3Very low206 Ų206189.3 Ų189.390%0.89686%0.864SS**  trans-75.896.3170.7-86.1-166.2173.1-171.80109.6
724A43.4Very low43.2Very low80 Ų80194.1 Ų194.166%0.66187%0.869SS**  trans-68.1134.2167.300000110.5Y722Y722-A724 PolarHBondContact O-N 3.11Å; Y722-A724 VanDerWaalsContact O-N 3.11Å
725K43.8Very low43.3Very low209 Ų209198.2 Ų198.291%0.90988%0.878SS**  trans-73.4139.8157.6-75.6-175.4174.4-175.80108.4
726R44.4Very low43.3Very low220 Ų220195 Ų19583%0.8388%0.876SS**  trans-153.7126.3153.7-148.8177.4-169.9-152.60.2110.4
727Q42.5Very low43Very low249 Ų249192.2 Ų192.2100%1.16488%0.879SS**  trans51.70173.3-71165.2-50.800113.8

Retrieved 727 of 727 residues in 933 ms (Link to these results)

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