A0A077YYR0_TRITR Loading...

Breast cancer anti estrogen resistance protein

AlphaFold DB , UniProt , Accession A0A077YYR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 634 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.2Very low80.1Confident230 Ų23091.9 Ų91.9100%1.13343%0.434SS*.  0137.40-71.7-57.917800107.8
2P59.5Low81.1Confident103 Ų10385.8 Ų85.867%0.66940%0.404SS*.PPolyproline II helixtrans-62.9134.7170.427.5-32.8000109.4R4P2-R4 PolarHBondContact O-N 2.66Å
3E72.7Confident81.8Confident86 Ų8679.2 Ų79.240%0.40237%0.374SS..PPolyproline II helixtrans-59.6133.2174.6-73.3165-163.300110.3P84 R88E3-P84 HydrophobicContact CB-CB 4.29Å; E3-P84 HydrophobicContact CB-CG 4.16Å; E3-P84 VanDerWaalsContact OE2-CB 3.23Å; E3-P84 WeakPolarHBondContact OE2-CB 3.33Å; E3-R88 IonicContact OE1-CZ 3.69Å; E3-R88 VanDerWaalsContact OE1-CZ 3.27Å; E3-R88 IonicContact OE1-NH1 3.67Å; E3-R88 PolarHBondContact OE1-NH1 3.06Å; E3-R88 IonicContact OE1-NH2 3.5Å; E3-R88 PolarHBondContact OE1-NH2 3.44Å; E3-R88 IonicContact OE2-CZ 3.42Å; E3-R88 VanDerWaalsContact OE2-CZ 3.24Å; E3-R88 IonicContact OE2-NH1 2.97Å; E3-R88 PolarHBondContact OE2-NH1 3.31Å; E3-R88 IonicContact OE2-NH2 2.83Å; E3-R88 PolarHBondContact OE2-NH2 3.08Å
4R81.5Confident82.3Confident172 Ų17277.1 Ų77.165%0.64937%0.372SS*.PPolyproline II helixtrans-75.6135.8175.8-61.6176.8173.5172.3-2.9109P2 E6 D7 N8P2-R4 PolarHBondContact O-N 2.66Å; R4-E6 PolarHBondContact O-N 2.82Å; R4-D7 WeakPolarHBondContact CB-OD2 3.27Å; R4-D7 PolarHBondContact O-N 3.07Å; R4-N8 PolarHBondContact O-ND2 3.21Å
5I88Confident82.7Confident14 Ų1473 Ų737%0.07235%0.353CS..G310 helixtrans-62.4-33.2176.7-163.3176000111.6D7 N8 W10 Y11 V32 Y42 V83I5-D7 VanDerWaalsContact C-N 3.26Å; I5-D7 PolarHBondContact O-N 3.2Å; I5-N8 WeakPolarHBondContact O-CB 3.4Å; I5-N8 PolarHBondContact O-N 3.03Å; I5-N8 VanDerWaalsContact O-N 3.08Å; I5-W10 HydrophobicContact CD1-CZ3 4.39Å; I5-W10 HydrophobicContact CG1-CH2 4.19Å; I5-W10 HydrophobicContact CG1-CZ3 4Å; I5-Y11 HydrophobicContact CD1-CD2 3.55Å; I5-Y11 HydrophobicContact CD1-CE2 3.76Å; I5-Y11 HydrophobicContact CD1-CG 4.27Å; I5-Y11 HydrophobicContact CG1-CD2 3.67Å; I5-Y11 HydrophobicContact CG1-CE2 4.14Å; I5-Y11 HydrophobicContact CG1-CG 3.86Å; I5-Y11 HydrophobicContact CG2-CD1 4.47Å; I5-Y11 HydrophobicContact CG2-CD2 4.44Å; I5-Y11 HydrophobicContact CG2-CE1 4.2Å; I5-Y11 HydrophobicContact CG2-CE2 4.16Å; I5-Y11 WeakPolarHBondContact O-CB 3.41Å; I5-V32 HydrophobicContact CD1-CG1 4.03Å; I5-Y42 HydrophobicContact CD1-CD1 3.81Å; I5-Y42 HydrophobicContact CD1-CD2 4.24Å; I5-Y42 HydrophobicContact CD1-CE1 3.82Å; I5-Y42 HydrophobicContact CD1-CE2 4.25Å; I5-Y42 HydrophobicContact CD1-CG 4.01Å; I5-Y42 HydrophobicContact CG2-CE1 4.25Å; I5-V83 HydrophobicContact CD1-CB 3.9Å; I5-V83 HydrophobicContact CD1-CG1 3.74Å; I5-V83 HydrophobicContact CD1-CG2 4.24Å; I5-V83 HydrophobicContact CG1-CB 4.46Å; I5-V83 HydrophobicContact CG1-CG1 4.43Å
6E85.5Confident83Confident82 Ų8273 Ų7338%0.38336%0.355SS..G310 helixtrans-60-31.1-179.8-66165.8-170.300113.4R4 N8 Y11 R111 L117R4-E6 PolarHBondContact O-N 2.82Å; E6-N8 PolarHBondContact O-N 2.76Å; E6-Y11 HydrophobicContact CG-CE1 3.94Å; E6-R111 PolarHBondContact O-NH1 3.07Å; E6-L117 HydrophobicContact CB-CD1 3.95Å; E6-L117 HydrophobicContact CG-CD1 4.21Å
7D85.5Confident83.3Confident104 Ų10476.8 Ų76.856%0.55636%0.364SS*.G310 helixtrans-72.2-13.6179.7-59.3-26.7000112.3R4 I5R4-D7 WeakPolarHBondContact CB-OD2 3.27Å; R4-D7 PolarHBondContact O-N 3.07Å; I5-D7 VanDerWaalsContact C-N 3.26Å; I5-D7 PolarHBondContact O-N 3.2Å
8N88.9Confident83.5Confident33 Ų3377.1 Ų77.118%0.17638%0.376CS..  trans-91.7126.4-174.7-70.5-97.4000112.4R4 I5 E6 W10 Y11 R111R4-N8 PolarHBondContact O-ND2 3.21Å; I5-N8 WeakPolarHBondContact O-CB 3.4Å; I5-N8 PolarHBondContact O-N 3.03Å; I5-N8 VanDerWaalsContact O-N 3.08Å; E6-N8 PolarHBondContact O-N 2.76Å; N8-W10 HydrophobicContact CB-CD2 3.86Å; N8-W10 VanDerWaalsContact CB-CE2 3.45Å; N8-W10 HydrophobicContact CB-CE3 4.29Å; N8-W10 HydrophobicContact CB-CG 4.39Å; N8-W10 HydrophobicContact CB-CH2 4.03Å; N8-W10 HydrophobicContact CB-CZ2 3.56Å; N8-W10 HydrophobicContact CB-CZ3 4.36Å; N8-W10 PolarHBondContact O-N 3.35Å; N8-W10 WeakPolarHBondContact OD1-CZ2 3.35Å; N8-W10 PolarHBondContact OD1-NE1 3.39Å; N8-Y11 WeakPolarHBondContact O-CB 3.44Å; N8-Y11 PolarHBondContact O-N 3.44Å; N8-R111 PolarHBondContact O-NH1 3.47Å
9Y90.6Very high83.8Confident156 Ų15681.4 Ų81.461%0.61239%0.388SS*.THydrogen-bonded Turntrans-61.8-26.4-177.6-54-80.5000114.3Y11 N110 R111Y9-Y11 PolarHBondContact O-N 2.94Å; Y9-N110 WeakPolarHBondContact CB-OD1 3.5Å; Y9-N110 CarbonylContact O-C 3.58Å; Y9-N110 WeakPolarHBondContact O-CA 3.16Å; Y9-R111 WeakPolarHBondContact O-CG 3.21Å; Y9-R111 PolarHBondContact O-N 3.26Å
10W92.2Very high84Confident28 Ų2877.4 Ų77.411%0.10637%0.369CS..THydrogen-bonded Turntrans-78-2.4174.948.5-103.6000114.3I5 N8 H12 F30 V32 V83 P84 I87 P108I5-W10 HydrophobicContact CD1-CZ3 4.39Å; I5-W10 HydrophobicContact CG1-CH2 4.19Å; I5-W10 HydrophobicContact CG1-CZ3 4Å; N8-W10 HydrophobicContact CB-CD2 3.86Å; N8-W10 VanDerWaalsContact CB-CE2 3.45Å; N8-W10 HydrophobicContact CB-CE3 4.29Å; N8-W10 HydrophobicContact CB-CG 4.39Å; N8-W10 HydrophobicContact CB-CH2 4.03Å; N8-W10 HydrophobicContact CB-CZ2 3.56Å; N8-W10 HydrophobicContact CB-CZ3 4.36Å; N8-W10 PolarHBondContact O-N 3.35Å; N8-W10 WeakPolarHBondContact OD1-CZ2 3.35Å; N8-W10 PolarHBondContact OD1-NE1 3.39Å; W10-H12 PolarHBondContact O-CD2 3.01Å; W10-F30 HydrophobicContact CB-CE2 4.35Å; W10-F30 HydrophobicContact CD2-CE2 4.47Å; W10-F30 HydrophobicContact CG-CE2 4.31Å; W10-V32 HydrophobicContact CE3-CB 3.76Å; W10-V32 HydrophobicContact CE3-CG2 3.49Å; W10-V32 VanDerWaalsContact CE3-CG2 3.49Å; W10-V32 HydrophobicContact CZ3-CB 3.76Å; W10-V32 HydrophobicContact CZ3-CG1 4.41Å; W10-V32 HydrophobicContact CZ3-CG2 3.51Å; W10-V32 PolarHBondContact O-N 3.02Å; W10-V83 HydrophobicContact CH2-CG1 4.25Å; W10-V83 HydrophobicContact CZ3-CG1 4.31Å; W10-P84 HydrophobicContact CH2-CB 4.37Å; W10-P84 HydrophobicContact CH2-CG 4.08Å; W10-P84 HydrophobicContact CZ2-CB 4.19Å; W10-P84 HydrophobicContact CZ2-CG 4.29Å; W10-I87 HydrophobicContact CH2-CB 4.27Å; W10-I87 HydrophobicContact CH2-CG1 3.83Å; W10-I87 HydrophobicContact CZ2-CB 4.13Å; W10-I87 HydrophobicContact CZ2-CG1 4.17Å; W10-I87 HydrophobicContact CZ2-CG2 4.16Å; W10-I87 HydrophobicContact CZ3-CG1 4.03Å; W10-P108 HydrophobicContact CB-CB 3.77Å; W10-P108 HydrophobicContact CG-CB 4.25Å
11Y94.2Very high84.4Confident3 Ų376.6 Ų76.61%0.01237%0.365CS..BIsolated β-bridgetrans-95.6121.8172.9175.5-106.3000110.9I5 E6 N8 Y9 V32 D34 Y42 R111 L117I5-Y11 HydrophobicContact CD1-CD2 3.55Å; I5-Y11 HydrophobicContact CD1-CE2 3.76Å; I5-Y11 HydrophobicContact CD1-CG 4.27Å; I5-Y11 HydrophobicContact CG1-CD2 3.67Å; I5-Y11 HydrophobicContact CG1-CE2 4.14Å; I5-Y11 HydrophobicContact CG1-CG 3.86Å; I5-Y11 HydrophobicContact CG2-CD1 4.47Å; I5-Y11 HydrophobicContact CG2-CD2 4.44Å; I5-Y11 HydrophobicContact CG2-CE1 4.2Å; I5-Y11 HydrophobicContact CG2-CE2 4.16Å; I5-Y11 WeakPolarHBondContact O-CB 3.41Å; E6-Y11 HydrophobicContact CG-CE1 3.94Å; N8-Y11 WeakPolarHBondContact O-CB 3.44Å; N8-Y11 PolarHBondContact O-N 3.44Å; Y9-Y11 PolarHBondContact O-N 2.94Å; Y11-V32 WeakPolarHBondContact CA-O 3.43Å; Y11-V32 HydrophobicContact CD2-CB 4.41Å; Y11-V32 HydrophobicContact CD2-CG1 4.3Å; Y11-D34 PolarHBondContact OH-OD1 3.14Å; Y11-D34 VanDerWaalsContact OH-OD1 3.05Å; Y11-Y42 AromaticContact CE2-CD1 3.94Å; Y11-Y42 HydrophobicContact CE2-CD1 3.94Å; Y11-Y42 AromaticContact CE2-CE1 3.82Å; Y11-Y42 HydrophobicContact CE2-CE1 3.82Å; Y11-R111 WeakPolarHBondContact O-CD 3.39Å; Y11-L117 HydrophobicContact CD1-CD1 4.38Å; Y11-L117 HydrophobicContact CD1-CD2 3.89Å; Y11-L117 HydrophobicContact CE1-CD1 4.35Å; Y11-L117 HydrophobicContact CE1-CD2 3.88Å
12H92.1Very high86.6Confident18 Ų1867.9 Ų67.98%0.08333%0.33CS..  trans-105-0.5-173.9-70.9-122.2000113.6W10 I15 V32 V109 R111W10-H12 PolarHBondContact O-CD2 3.01Å; H12-I15 HydrophobicContact CB-CB 4.38Å; H12-I15 HydrophobicContact CB-CG2 3.67Å; H12-V32 PolarHBondContact N-O 3.36Å; H12-V109 PolarHBondContact NE2-O 3.35Å; H12-R111 PolarHBondContact NE2-N 2.69Å
13G90.9Very high88Confident1 Ų165.7 Ų65.71%0.0131%0.312CS..SBendtrans66.5-143.6-176.700000113.2I15 R33 D34G13-I15 VanDerWaalsContact C-N 3.26Å; G13-I15 PolarHBondContact O-N 3.39Å; G13-R33 WeakPolarHBondContact O-CA 3.25Å; G13-R33 WeakPolarHBondContact O-CB 3.45Å; G13-D34 PolarHBondContact O-N 3.36Å
14S88.1Confident88.7Confident49 Ų4961.7 Ų61.734%0.34329%0.293SS..SBendtrans-78.970.9-179.1-60.20000111.9D34 T118 A120S14-D34 WeakPolarHBondContact CA-OD2 3.49Å; S14-D34 PolarHBondContact N-OD2 2.79Å; S14-D34 PolarHBondContact OG-OD2 3.25Å; S14-T118 WeakPolarHBondContact CB-O 3.41Å; S14-T118 PolarHBondContact OG-O 2.95Å; S14-T118 VanDerWaalsContact OG-O 3.11Å; S14-A120 PolarHBondContact OG-N 2.82Å
15I88.4Confident88.8Confident16 Ų1657.8 Ų57.88%0.08229%0.285CS..  trans-95139.5168.2-177.7162000110.2H12 G13 R19 A20 L23 L31 R33H12-I15 HydrophobicContact CB-CB 4.38Å; H12-I15 HydrophobicContact CB-CG2 3.67Å; G13-I15 VanDerWaalsContact C-N 3.26Å; G13-I15 PolarHBondContact O-N 3.39Å; I15-R19 HydrophobicContact CD1-CB 4.02Å; I15-R19 HydrophobicContact CD1-CG 3.78Å; I15-R19 HydrophobicContact CG1-CB 3.89Å; I15-R19 HydrophobicContact CG1-CG 4.12Å; I15-A20 HydrophobicContact CG1-CB 4.45Å; I15-A20 HydrophobicContact CG2-CB 4.42Å; I15-L23 HydrophobicContact CD1-CD1 3.55Å; I15-L31 HydrophobicContact CG2-CD1 4.5Å; I15-R33 HydrophobicContact CG2-CB 3.33Å; I15-R33 HydrophobicContact CG2-CG 4.23Å
16D87.6Confident88.7Confident73 Ų7362.6 Ų62.639%0.3930%0.303SS..  trans-70.7164.4177.566.7-76.8000112.2S18 R19 A20D16-S18 PolarHBondContact OD2-N 2.85Å; D16-R19 WeakPolarHBondContact OD1-CB 2.99Å; D16-R19 WeakPolarHBondContact OD2-CB 3.44Å; D16-R19 PolarHBondContact OD2-N 3.16Å; D16-A20 WeakPolarHBondContact O-CB 3.32Å; D16-A20 PolarHBondContact O-N 3.27Å
17R87.7Confident88.7Confident137 Ų13761.6 Ų61.652%0.51731%0.305SS..Hα-helixtrans-59.6-51.3-177.1-169.4-173-176.5147.61.3111.8R19 A20 E21 H54R17-R19 PolarHBondContact O-N 3.1Å; R17-A20 WeakPolarHBondContact O-CB 2.96Å; R17-A20 PolarHBondContact O-N 3.35Å; R17-A20 VanDerWaalsContact O-N 3.16Å; R17-E21 WeakPolarHBondContact CG-OE1 3.47Å; R17-E21 IonicContact NE-OE1 2.89Å; R17-E21 PolarHBondContact NE-OE1 3.23Å; R17-E21 WeakPolarHBondContact O-CG 3.12Å; R17-E21 PolarHBondContact O-N 3.14Å; R17-H54 VanDerWaalsContact CG-CE1 3.48Å; R17-H54 WeakPolarHBondContact CG-CE1 3.3Å; R17-H54 PolarHBondContact NE-CD2 2.83Å; R17-H54 VanDerWaalsContact NE-CD2 3.35Å; R17-H54 PolarHBondContact NE-NE2 3.35Å; R17-H54 PolarHBondContact NH2-CD2 2.99Å
18S87.3Confident88.9Confident83 Ų8356.7 Ų56.758%0.5828%0.279SS*.Hα-helixtrans-63.8-41.3-173.9-47.70000112.1D16 E21 A22D16-S18 PolarHBondContact OD2-N 2.85Å; S18-E21 PolarHBondContact O-N 3.2Å; S18-A22 PolarHBondContact O-N 3.04Å; S18-A22 VanDerWaalsContact O-N 3.07Å
19R88.7Confident89Confident159 Ų15957.3 Ų57.360%0.628%0.281SS*.Hα-helixtrans-70.5-33175.8-164.2-177.1172.1164.40.2112.3I15 D16 R17 A22 L23I15-R19 HydrophobicContact CD1-CB 4.02Å; I15-R19 HydrophobicContact CD1-CG 3.78Å; I15-R19 HydrophobicContact CG1-CB 3.89Å; I15-R19 HydrophobicContact CG1-CG 4.12Å; D16-R19 WeakPolarHBondContact OD1-CB 2.99Å; D16-R19 WeakPolarHBondContact OD2-CB 3.44Å; D16-R19 PolarHBondContact OD2-N 3.16Å; R17-R19 PolarHBondContact O-N 3.1Å; R19-A22 PolarHBondContact O-N 2.89Å; R19-L23 WeakPolarHBondContact O-CG 3.43Å; R19-L23 PolarHBondContact O-N 3.18Å
20A89Confident89.3Confident0 Ų050 Ų500%025%0.252CS..Hα-helixtrans-66.9-42172.300000112.2I15 D16 R17 A22 L23 V24 L31 T45I15-A20 HydrophobicContact CG1-CB 4.45Å; I15-A20 HydrophobicContact CG2-CB 4.42Å; D16-A20 WeakPolarHBondContact O-CB 3.32Å; D16-A20 PolarHBondContact O-N 3.27Å; R17-A20 WeakPolarHBondContact O-CB 2.96Å; R17-A20 PolarHBondContact O-N 3.35Å; R17-A20 VanDerWaalsContact O-N 3.16Å; A20-A22 VanDerWaalsContact C-N 3.31Å; A20-A22 PolarHBondContact O-N 3.41Å; A20-L23 PolarHBondContact O-N 2.84Å; A20-L23 VanDerWaalsContact O-N 3.16Å; A20-V24 PolarHBondContact O-N 2.97Å; A20-L31 HydrophobicContact CB-CD1 4.08Å; A20-L31 HydrophobicContact CB-CD2 4.38Å; A20-T45 HydrophobicContact CB-CG2 3.83Å
21E91.2Very high89.4Confident62 Ų6248.7 Ų48.729%0.2925%0.247SC..Hα-helixtrans-58.8-41.2173.4-67.1171.5-173.700111.3R17 S18 L23 V24 P52 H54R17-E21 WeakPolarHBondContact CG-OE1 3.47Å; R17-E21 IonicContact NE-OE1 2.89Å; R17-E21 PolarHBondContact NE-OE1 3.23Å; R17-E21 WeakPolarHBondContact O-CG 3.12Å; R17-E21 PolarHBondContact O-N 3.14Å; S18-E21 PolarHBondContact O-N 3.2Å; E21-L23 PolarHBondContact O-N 3.48Å; E21-V24 WeakPolarHBondContact O-CG2 3.39Å; E21-V24 PolarHBondContact O-N 2.81Å; E21-P52 HydrophobicContact CB-CB 3.96Å; E21-P52 HydrophobicContact CB-CG 4.26Å; E21-P52 HydrophobicContact CG-CB 3.67Å; E21-P52 HydrophobicContact CG-CG 4.43Å; E21-H54 IonicContact OE1-CE1 2.83Å; E21-H54 IonicContact OE1-NE2 2.66Å; E21-H54 PolarHBondContact OE1-NE2 3.22Å
22A88.4Confident89.5Confident47 Ų4748.5 Ų48.539%0.38825%0.246SC..THydrogen-bonded Turntrans-66.5-14.1177.400000115S18 R19 A20 L25S18-A22 PolarHBondContact O-N 3.04Å; S18-A22 VanDerWaalsContact O-N 3.07Å; R19-A22 PolarHBondContact O-N 2.89Å; A20-A22 VanDerWaalsContact C-N 3.31Å; A20-A22 PolarHBondContact O-N 3.41Å; A22-L25 WeakPolarHBondContact O-CD2 3.4Å
23L88.9Confident89.5Confident57 Ų5748.2 Ų48.230%0.29825%0.245SC..THydrogen-bonded Turntrans-96.4-25.2178.1-68.3169.6000112.8I15 R19 A20 E21 L25 L31 V109I15-L23 HydrophobicContact CD1-CD1 3.55Å; R19-L23 WeakPolarHBondContact O-CG 3.43Å; R19-L23 PolarHBondContact O-N 3.18Å; A20-L23 PolarHBondContact O-N 2.84Å; A20-L23 VanDerWaalsContact O-N 3.16Å; E21-L23 PolarHBondContact O-N 3.48Å; L23-L25 PolarHBondContact O-N 2.58Å; L23-L31 HydrophobicContact CB-CD2 3.79Å; L23-L31 HydrophobicContact CD1-CD2 3.99Å; L23-V109 HydrophobicContact CB-CG1 4.15Å
24V87.7Confident89.6Confident1 Ų149.2 Ų49.21%0.00625%0.249CC..  trans-90.475.4179.3-67.60000111.1A20 E21 H29 L31 T45 N47 V109A20-V24 PolarHBondContact O-N 2.97Å; E21-V24 WeakPolarHBondContact O-CG2 3.39Å; E21-V24 PolarHBondContact O-N 2.81Å; V24-H29 HydrophobicContact CB-CB 4.33Å; V24-L31 HydrophobicContact CG1-CD2 4.19Å; V24-L31 HydrophobicContact CG1-CG 4.25Å; V24-T45 HydrophobicContact CG2-CG2 4.01Å; V24-N47 HydrophobicContact CB-CB 3.97Å; V24-N47 HydrophobicContact CG2-CB 4.05Å; V24-N47 WeakPolarHBondContact O-CB 3.45Å; V24-N47 PolarHBondContact O-ND2 3.12Å; V24-V109 HydrophobicContact CG1-CG2 4.17Å
25L84.2Confident89.6Confident91 Ų9147.6 Ų47.648%0.47624%0.238SC..  trans-75.2-29.1-169.8-61.6178.2000115.5A22 L23 N47 L151A22-L25 WeakPolarHBondContact O-CD2 3.4Å; L23-L25 PolarHBondContact O-N 2.58Å; L25-N47 PolarHBondContact O-ND2 2.93Å; L25-L151 HydrophobicContact CD2-CD1 4.36Å
26Y84.6Confident89Confident114 Ų11451 Ų5145%0.44726%0.263SS..SBendtrans-126.3155.2-171.2-55.1-69.7000113G28 H29 N47Y26-G28 PolarHBondContact O-N 2.65Å; Y26-H29 AromaticContact CD2-CE1 3.72Å; Y26-H29 AromaticContact CD2-NE2 3.82Å; Y26-H29 WeakPolarHBondContact O-CB 3.25Å; Y26-H29 PolarHBondContact O-N 2.86Å; Y26-N47 WeakPolarHBondContact O-CB 3.46Å
27S87Confident88.5Confident61 Ų6153.4 Ų53.443%0.42728%0.28SS..THydrogen-bonded Turntrans-59.2127.9179.6-167.50000111.5N47 Q49S27-N47 CarbonylContact C-O 3.49Å; S27-N47 WeakPolarHBondContact CA-O 3.48Å; S27-Q49 PolarHBondContact OG-N 3.02Å
28G88.3Confident88Confident1 Ų153.7 Ų53.71%0.0128%0.281CS..THydrogen-bonded Turntrans89.5-8.9-174.600000114.7Y26 N47 S106 C107Y26-G28 PolarHBondContact O-N 2.65Å; G28-N47 PolarHBondContact N-O 3.26Å; G28-S106 PolarHBondContact O-N 2.92Å; G28-S106 PolarHBondContact O-OG 3.22Å; G28-C107 PolarHBondContact O-N 3.16Å
29H92.4Very high87.4Confident46 Ų4656.8 Ų56.821%0.21329%0.291CS..EExtended strand (participates in β ladder)trans-69136.7171.1-79.5-135.4000110.7V24 Y26 C46 N47 C107 V109V24-H29 HydrophobicContact CB-CB 4.33Å; Y26-H29 AromaticContact CD2-CE1 3.72Å; Y26-H29 AromaticContact CD2-NE2 3.82Å; Y26-H29 WeakPolarHBondContact O-CB 3.25Å; Y26-H29 PolarHBondContact O-N 2.86Å; H29-C46 CarbonylContact O-C 3.58Å; H29-C46 WeakPolarHBondContact O-CA 3.34Å; H29-C46 VanDerWaalsContact O-CB 3.26Å; H29-C46 WeakPolarHBondContact O-CB 3.38Å; H29-N47 PolarHBondContact O-N 3.11Å; H29-C107 CarbonylContact C-O 3.56Å; H29-C107 VanDerWaalsContact CA-O 3.29Å; H29-C107 WeakPolarHBondContact CA-O 3.46Å; H29-V109 HydrophobicContact CB-CG2 3.79Å
30F95.5Very high86.8Confident3 Ų353.5 Ų53.51%0.01329%0.286CS..EExtended strand (participates in β ladder)trans-143.1155.5177.778.5-82.6000113.3W10 I44 T45 C46 I87 V91 I105 C107 P108 V109W10-F30 HydrophobicContact CB-CE2 4.35Å; W10-F30 HydrophobicContact CD2-CE2 4.47Å; W10-F30 HydrophobicContact CG-CE2 4.31Å; F30-I44 HydrophobicContact CB-CG2 4.21Å; F30-I44 HydrophobicContact CD2-CG2 4.39Å; F30-T45 CarbonylContact C-O 3.55Å; F30-T45 VanDerWaalsContact CA-O 3.27Å; F30-T45 WeakPolarHBondContact CA-O 3.35Å; F30-C46 HydrophobicContact CB-CB 3.72Å; F30-I87 HydrophobicContact CD2-CD1 4.41Å; F30-I87 HydrophobicContact CE2-CD1 4.06Å; F30-I87 HydrophobicContact CE2-CG2 3.57Å; F30-I87 HydrophobicContact CZ-CG2 3.58Å; F30-V91 HydrophobicContact CD1-CG2 4.46Å; F30-V91 HydrophobicContact CE1-CG2 3.58Å; F30-V91 HydrophobicContact CZ-CG2 3.74Å; F30-I105 HydrophobicContact CB-CB 4.01Å; F30-I105 HydrophobicContact CB-CG2 3.65Å; F30-I105 HydrophobicContact CD1-CB 3.75Å; F30-I105 HydrophobicContact CD1-CD1 4.32Å; F30-I105 HydrophobicContact CD1-CG1 4.49Å; F30-I105 HydrophobicContact CD1-CG2 4.36Å; F30-I105 HydrophobicContact CD2-CD1 4.16Å; F30-I105 HydrophobicContact CE1-CB 4.44Å; F30-I105 HydrophobicContact CE2-CD1 4.37Å; F30-I105 HydrophobicContact CG-CB 3.92Å; F30-I105 HydrophobicContact CG-CD1 4.15Å; F30-I105 HydrophobicContact CG-CG2 4.09Å; F30-C107 WeakPolarHBondContact CD1-O 3.39Å; F30-C107 PolarHBondContact N-O 3.44Å; F30-P108 HydrophobicContact CE1-CB 4.01Å; F30-P108 HydrophobicContact CZ-CB 3.9Å; F30-V109 PolarHBondContact O-N 3.04Å
31L95.2Very high86.7Confident0 Ų054.6 Ų54.60%029%0.291CS..EExtended strand (participates in β ladder)trans-140.2161.9165.36583.8000109.9I15 A20 L23 V24 R33 I44 T45 V109I15-L31 HydrophobicContact CG2-CD1 4.5Å; A20-L31 HydrophobicContact CB-CD1 4.08Å; A20-L31 HydrophobicContact CB-CD2 4.38Å; L23-L31 HydrophobicContact CB-CD2 3.79Å; L23-L31 HydrophobicContact CD1-CD2 3.99Å; V24-L31 HydrophobicContact CG1-CD2 4.19Å; V24-L31 HydrophobicContact CG1-CG 4.25Å; L31-R33 HydrophobicContact CD1-CB 4.11Å; L31-R33 HydrophobicContact CD1-CG 4.32Å; L31-I44 WeakPolarHBondContact O-CA 3.32Å; L31-T45 PolarHBondContact N-O 3.22Å; L31-T45 PolarHBondContact O-N 2.85Å; L31-V109 HydrophobicContact CB-CB 4.39Å
32V95.6Very high86.8Confident0 Ų052.9 Ų52.90%028%0.282CS..EExtended strand (participates in β ladder)trans-114.1136.4172.8-173.60000109.7I5 W10 Y11 H12 V43 I44 I57 V83 I87I5-V32 HydrophobicContact CD1-CG1 4.03Å; W10-V32 HydrophobicContact CE3-CB 3.76Å; W10-V32 HydrophobicContact CE3-CG2 3.49Å; W10-V32 VanDerWaalsContact CE3-CG2 3.49Å; W10-V32 HydrophobicContact CZ3-CB 3.76Å; W10-V32 HydrophobicContact CZ3-CG1 4.41Å; W10-V32 HydrophobicContact CZ3-CG2 3.51Å; W10-V32 PolarHBondContact O-N 3.02Å; Y11-V32 WeakPolarHBondContact CA-O 3.43Å; Y11-V32 HydrophobicContact CD2-CB 4.41Å; Y11-V32 HydrophobicContact CD2-CG1 4.3Å; H12-V32 PolarHBondContact N-O 3.36Å; V32-V43 WeakPolarHBondContact CA-O 3.2Å; V32-I44 HydrophobicContact CG2-CG1 4.29Å; V32-I57 HydrophobicContact CG1-CD1 4.16Å; V32-V83 HydrophobicContact CG1-CG1 4.37Å; V32-I87 HydrophobicContact CG2-CD1 3.81Å; V32-I87 HydrophobicContact CG2-CG1 4.17Å
33R93.6Very high87.1Confident12 Ų1251 Ų515%0.04527%0.266CS..EExtended strand (participates in β ladder)trans-137165.4-178.861.7179.4-174.985-7111.3G13 I15 L31 C36 Y42 V43 T45G13-R33 WeakPolarHBondContact O-CA 3.25Å; G13-R33 WeakPolarHBondContact O-CB 3.45Å; I15-R33 HydrophobicContact CG2-CB 3.33Å; I15-R33 HydrophobicContact CG2-CG 4.23Å; L31-R33 HydrophobicContact CD1-CB 4.11Å; L31-R33 HydrophobicContact CD1-CG 4.32Å; R33-C36 PolarHBondContact NH1-SG 2.88Å; R33-Y42 CarbonylContact O-C 3.55Å; R33-Y42 WeakPolarHBondContact O-CA 3.47Å; R33-V43 HydrophobicContact CG-CB 4.13Å; R33-V43 PolarHBondContact N-O 3.38Å; R33-V43 PolarHBondContact O-N 3.31Å; R33-T45 PolarHBondContact NE-OG1 3.4Å
34D91.7Very high87.4Confident21 Ų2148.3 Ų48.311%0.11225%0.252CS..EExtended strand (participates in β ladder)trans-65.4147.5168.2-62.5-41.4000110.8Y11 G13 S14 C36Y11-D34 PolarHBondContact OH-OD1 3.14Å; Y11-D34 VanDerWaalsContact OH-OD1 3.05Å; G13-D34 PolarHBondContact O-N 3.36Å; S14-D34 WeakPolarHBondContact CA-OD2 3.49Å; S14-D34 PolarHBondContact N-OD2 2.79Å; S14-D34 PolarHBondContact OG-OD2 3.25Å; D34-C36 PolarHBondContact O-N 3.48Å
35S88.2Confident87.7Confident15 Ų1548.3 Ų48.311%0.10525%0.251CS..  trans-75.6119.8172.5-179.30000110.6T37 R38 E41S35-T37 PolarHBondContact O-N 2.66Å; S35-T37 VanDerWaalsContact O-N 3.13Å; S35-T37 PolarHBondContact OG-OG1 2.83Å; S35-R38 WeakPolarHBondContact CB-O 3.49Å; S35-R38 PolarHBondContact OG-N 3.4Å; S35-E41 VanDerWaalsContact CB-O 3.27Å; S35-E41 WeakPolarHBondContact CB-O 3.4Å; S35-E41 PolarHBondContact N-O 2.8Å
36C77.2Confident88.1Confident88 Ų8844 Ų4460%0.59523%0.229SC*.SBendtrans-69-8.1178.3-45.30000113.6R33 D34R33-C36 PolarHBondContact NH1-SG 2.88Å; D34-C36 PolarHBondContact O-N 3.48Å
37T76.8Confident88.3Confident124 Ų12439 Ų3976%0.76121%0.21SC*.SBendtrans-118.6-16.2-174.655.40000114.1S35S35-T37 PolarHBondContact O-N 2.66Å; S35-T37 VanDerWaalsContact O-N 3.13Å; S35-T37 PolarHBondContact OG-OG1 2.83Å
38R76.7Confident88.3Confident142 Ų14238.8 Ų38.854%0.53620%0.2SC..SBendtrans-140.6114.7-176.2-68.6176.265.9152.8-8.8109.6S35 E41S35-R38 WeakPolarHBondContact CB-O 3.49Å; S35-R38 PolarHBondContact OG-N 3.4Å; R38-E41 HydrophobicContact CB-CB 4.15Å; R38-E41 HydrophobicContact CB-CG 4.31Å; R38-E41 WeakPolarHBondContact CD-OE2 3.26Å; R38-E41 IonicContact CZ-OE1 3.37Å; R38-E41 IonicContact CZ-OE2 3.01Å; R38-E41 IonicContact NE-OE1 3.48Å; R38-E41 PolarHBondContact NE-OE1 2.78Å; R38-E41 IonicContact NE-OE2 3.33Å; R38-E41 PolarHBondContact NE-OE2 2.83Å; R38-E41 IonicContact NH2-OE1 3.17Å; R38-E41 PolarHBondContact NH2-OE1 3.39Å; R38-E41 IonicContact NH2-OE2 3.9Å; R38-E41 PolarHBondContact O-N 3.33Å
39N74.4Confident88Confident149 Ų14945.5 Ų45.580%0.79723%0.231SC*.THydrogen-bonded Turntrans-62.1144.8179-64.8-3.7000110.8E41N39-E41 PolarHBondContact O-N 3.26Å
40D75.4Confident87.3Confident90 Ų9045.2 Ų45.248%0.48124%0.24SC..THydrogen-bonded Turntrans55.825.3-176.7-71.6-17.6000116R59 K119D40-R59 IonicContact OD2-NH1 3.1Å; D40-K119 IonicContact OD1-NZ 2.92Å
41E87.3Confident86.8Confident23 Ų2348.8 Ų48.811%0.10727%0.265CS..  trans-116.9152.9168.1-74.4179.3-158.500111.9S35 R38 N39 R59S35-E41 VanDerWaalsContact CB-O 3.27Å; S35-E41 WeakPolarHBondContact CB-O 3.4Å; S35-E41 PolarHBondContact N-O 2.8Å; R38-E41 HydrophobicContact CB-CB 4.15Å; R38-E41 HydrophobicContact CB-CG 4.31Å; R38-E41 WeakPolarHBondContact CD-OE2 3.26Å; R38-E41 IonicContact CZ-OE1 3.37Å; R38-E41 IonicContact CZ-OE2 3.01Å; R38-E41 IonicContact NE-OE1 3.48Å; R38-E41 PolarHBondContact NE-OE1 2.78Å; R38-E41 IonicContact NE-OE2 3.33Å; R38-E41 PolarHBondContact NE-OE2 2.83Å; R38-E41 IonicContact NH2-OE1 3.17Å; R38-E41 PolarHBondContact NH2-OE1 3.39Å; R38-E41 IonicContact NH2-OE2 3.9Å; R38-E41 PolarHBondContact O-N 3.33Å; N39-E41 PolarHBondContact O-N 3.26Å; E41-R59 HydrophobicContact CG-CB 4.44Å
42Y93.4Very high86.3Confident25 Ų2551.3 Ų51.310%0.09828%0.282CS..EExtended strand (participates in β ladder)trans-114.7155-176-57.5-69.2000110.8I5 Y11 R33 I57 Y73 V83I5-Y42 HydrophobicContact CD1-CD1 3.81Å; I5-Y42 HydrophobicContact CD1-CD2 4.24Å; I5-Y42 HydrophobicContact CD1-CE1 3.82Å; I5-Y42 HydrophobicContact CD1-CE2 4.25Å; I5-Y42 HydrophobicContact CD1-CG 4.01Å; I5-Y42 HydrophobicContact CG2-CE1 4.25Å; Y11-Y42 AromaticContact CE2-CD1 3.94Å; Y11-Y42 HydrophobicContact CE2-CD1 3.94Å; Y11-Y42 AromaticContact CE2-CE1 3.82Å; Y11-Y42 HydrophobicContact CE2-CE1 3.82Å; R33-Y42 CarbonylContact O-C 3.55Å; R33-Y42 WeakPolarHBondContact O-CA 3.47Å; Y42-I57 PolarHBondContact O-N 3.37Å; Y42-Y73 HydrophobicContact CD2-CE1 4.3Å; Y42-Y73 HydrophobicContact CE2-CE1 4.18Å; Y42-V83 HydrophobicContact CD2-CG2 3.67Å; Y42-V83 HydrophobicContact CE2-CG2 4.09Å; Y42-V83 HydrophobicContact CG-CG2 4.44Å
43V94.7Very high86Confident9 Ų953.3 Ų53.36%0.05529%0.294CS..EExtended strand (participates in β ladder)trans-130123.1177.5-178.80000108.9V32 R33 T45 H54V32-V43 WeakPolarHBondContact CA-O 3.2Å; R33-V43 HydrophobicContact CG-CB 4.13Å; R33-V43 PolarHBondContact N-O 3.38Å; R33-V43 PolarHBondContact O-N 3.31Å; V43-T45 PolarHBondContact O-N 3.01Å; V43-H54 HydrophobicContact CG1-CB 3.74Å
44I95Very high85.9Confident0 Ų054.3 Ų54.30%030%0.299CS..EExtended strand (participates in β ladder)trans-75.1117.8164.6-51.8177.1000106.3F30 L31 V32 H54 F55 I57 V75 L86 I87 L97 I105F30-I44 HydrophobicContact CB-CG2 4.21Å; F30-I44 HydrophobicContact CD2-CG2 4.39Å; L31-I44 WeakPolarHBondContact O-CA 3.32Å; V32-I44 HydrophobicContact CG2-CG1 4.29Å; I44-H54 CarbonylContact O-C 3.58Å; I44-H54 VanDerWaalsContact O-CA 3.3Å; I44-H54 WeakPolarHBondContact O-CA 3.4Å; I44-F55 HydrophobicContact CB-CB 4.38Å; I44-F55 PolarHBondContact N-O 3.13Å; I44-F55 PolarHBondContact O-N 3.48Å; I44-I57 HydrophobicContact CD1-CD1 4.2Å; I44-I57 HydrophobicContact CD1-CG1 4.17Å; I44-I57 HydrophobicContact CG1-CD1 3.65Å; I44-I57 HydrophobicContact CG1-CG1 3.86Å; I44-V75 HydrophobicContact CD1-CG2 3.99Å; I44-L86 HydrophobicContact CD1-CD2 4.01Å; I44-I87 HydrophobicContact CD1-CD1 3.72Å; I44-I87 HydrophobicContact CG1-CD1 4.09Å; I44-L97 HydrophobicContact CD1-CD1 4.24Å; I44-L97 HydrophobicContact CD1-CD2 3.74Å; I44-L97 HydrophobicContact CG2-CD1 4.11Å; I44-I105 HydrophobicContact CG2-CG2 4.38Å
45T93.6Very high86Confident0 Ų054.4 Ų54.40%030%0.298CS..EExtended strand (participates in β ladder)trans-102.8125.8168.3-60.30000107.3A20 V24 F30 L31 R33 V43 T53 H54A20-T45 HydrophobicContact CB-CG2 3.83Å; V24-T45 HydrophobicContact CG2-CG2 4.01Å; F30-T45 CarbonylContact C-O 3.55Å; F30-T45 VanDerWaalsContact CA-O 3.27Å; F30-T45 WeakPolarHBondContact CA-O 3.35Å; L31-T45 PolarHBondContact N-O 3.22Å; L31-T45 PolarHBondContact O-N 2.85Å; R33-T45 PolarHBondContact NE-OG1 3.4Å; V43-T45 PolarHBondContact O-N 3.01Å; T45-T53 WeakPolarHBondContact CA-O 3.27Å; T45-H54 WeakPolarHBondContact CG2-CE1 3.21Å; T45-H54 WeakPolarHBondContact CG2-ND1 3.1Å; T45-H54 PolarHBondContact OG1-ND1 3.04Å
46C93Very high86.2Confident0 Ų057.2 Ų57.20%032%0.316CS..EExtended strand (participates in β ladder)trans-144.8155.5-177.150.90000111.3H29 F30 P52 T53 F55 I105H29-C46 CarbonylContact O-C 3.58Å; H29-C46 WeakPolarHBondContact O-CA 3.34Å; H29-C46 VanDerWaalsContact O-CB 3.26Å; H29-C46 WeakPolarHBondContact O-CB 3.38Å; F30-C46 HydrophobicContact CB-CB 3.72Å; C46-P52 CarbonylContact O-C 3.39Å; C46-P52 WeakPolarHBondContact O-CA 3.36Å; C46-T53 PolarHBondContact N-O 3.36Å; C46-T53 PolarHBondContact O-N 3.04Å; C46-T53 VanDerWaalsContact O-O 3.12Å; C46-T53 PolarHBondContact O-OG1 3.4Å; C46-T53 VanDerWaalsContact O-OG1 3.05Å; C46-T53 PolarHBondContact SG-OG1 3.31Å; C46-F55 VanDerWaalsContact SG-CE2 3.55Å; C46-I105 HydrophobicContact CB-CG2 3.71Å
47N88.7Confident86.9Confident11 Ų1153 Ų536%0.05929%0.288CS..EExtended strand (participates in β ladder)trans-102.2130.4171.2-179.5-29.7000108.8V24 L25 Y26 S27 G28 H29 G50 C51V24-N47 HydrophobicContact CB-CB 3.97Å; V24-N47 HydrophobicContact CG2-CB 4.05Å; V24-N47 WeakPolarHBondContact O-CB 3.45Å; V24-N47 PolarHBondContact O-ND2 3.12Å; L25-N47 PolarHBondContact O-ND2 2.93Å; Y26-N47 WeakPolarHBondContact O-CB 3.46Å; S27-N47 CarbonylContact C-O 3.49Å; S27-N47 WeakPolarHBondContact CA-O 3.48Å; G28-N47 PolarHBondContact N-O 3.26Å; H29-N47 PolarHBondContact O-N 3.11Å; N47-G50 WeakPolarHBondContact OD1-CA 3.39Å; N47-G50 PolarHBondContact OD1-N 3.38Å; N47-C51 PolarHBondContact OD1-N 3.02Å
48W87.2Confident87.5Confident55 Ų5549.8 Ų49.821%0.20827%0.268CS..EExtended strand (participates in β ladder)trans-132122175.9-172.4-117.4000109.2G50 C51 H102 C103 I104W48-G50 PolarHBondContact O-N 3.13Å; W48-G50 VanDerWaalsContact O-N 3.13Å; W48-C51 PolarHBondContact N-O 3.31Å; W48-C51 PolarHBondContact O-N 3.33Å; W48-H102 VanDerWaalsContact CZ2-O 3.25Å; W48-H102 WeakPolarHBondContact CZ2-O 3.29Å; W48-H102 PolarHBondContact NE1-O 3.48Å; W48-C103 HydrophobicContact CB-CB 4.22Å; W48-C103 HydrophobicContact CD2-CB 4.45Å; W48-C103 HydrophobicContact CG-CB 3.99Å; W48-I104 HydrophobicContact CH2-CB 3.85Å; W48-I104 HydrophobicContact CH2-CD1 4.17Å; W48-I104 HydrophobicContact CH2-CG1 4.17Å; W48-I104 HydrophobicContact CZ3-CB 3.85Å; W48-I104 VanDerWaalsContact CZ3-O 3.3Å; W48-I104 WeakPolarHBondContact CZ3-O 3.42Å
49Q82.3Confident88.1Confident142 Ų14247.9 Ų47.966%0.66426%0.261SS*.THydrogen-bonded Turntrans55.627.9-179.3-56.9179.9-8.400114.3S27S27-Q49 PolarHBondContact OG-N 3.02Å
50G78Confident88.6Confident40 Ų4042.6 Ų42.641%0.41224%0.235SC..THydrogen-bonded Turntrans91.9-5.8-177.900000114.3N47 W48 P52N47-G50 WeakPolarHBondContact OD1-CA 3.39Å; N47-G50 PolarHBondContact OD1-N 3.38Å; W48-G50 PolarHBondContact O-N 3.13Å; W48-G50 VanDerWaalsContact O-N 3.13Å; G50-P52 WeakPolarHBondContact O-CD 3.3Å
51C84.1Confident88.9Confident78 Ų7840.5 Ų40.553%0.52723%0.228SC..EExtended strand (participates in β ladder)trans-99.9117177.2-66.50000110.7N47 W48 T53N47-C51 PolarHBondContact OD1-N 3.02Å; W48-C51 PolarHBondContact N-O 3.31Å; W48-C51 PolarHBondContact O-N 3.33Å; C51-T53 PolarHBondContact O-N 2.59Å
52P85.7Confident88.4Confident54 Ų5442.5 Ų42.535%0.35124%0.241SC..EExtended strand (participates in β ladder)trans-61130.1164.7-21.533.9000110.7E21 C46 G50E21-P52 HydrophobicContact CB-CB 3.96Å; E21-P52 HydrophobicContact CB-CG 4.26Å; E21-P52 HydrophobicContact CG-CB 3.67Å; E21-P52 HydrophobicContact CG-CG 4.43Å; C46-P52 CarbonylContact O-C 3.39Å; C46-P52 WeakPolarHBondContact O-CA 3.36Å; G50-P52 WeakPolarHBondContact O-CD 3.3Å
53T89.2Confident87.4Confident41 Ų4146.5 Ų46.525%0.25226%0.261SS..EExtended strand (participates in β ladder)trans-136.6154.2-175.248.70000109.8T45 C46 C51T45-T53 WeakPolarHBondContact CA-O 3.27Å; C46-T53 PolarHBondContact N-O 3.36Å; C46-T53 PolarHBondContact O-N 3.04Å; C46-T53 VanDerWaalsContact O-O 3.12Å; C46-T53 PolarHBondContact O-OG1 3.4Å; C46-T53 VanDerWaalsContact O-OG1 3.05Å; C46-T53 PolarHBondContact SG-OG1 3.31Å; C51-T53 PolarHBondContact O-N 2.59Å
54H92.4Very high86.3Confident34 Ų3449.7 Ų49.716%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-135.1126-175.3-52-91.5000110.6R17 E21 V43 I44 T45R17-H54 VanDerWaalsContact CG-CE1 3.48Å; R17-H54 WeakPolarHBondContact CG-CE1 3.3Å; R17-H54 PolarHBondContact NE-CD2 2.83Å; R17-H54 VanDerWaalsContact NE-CD2 3.35Å; R17-H54 PolarHBondContact NE-NE2 3.35Å; R17-H54 PolarHBondContact NH2-CD2 2.99Å; E21-H54 IonicContact OE1-CE1 2.83Å; E21-H54 IonicContact OE1-NE2 2.66Å; E21-H54 PolarHBondContact OE1-NE2 3.22Å; V43-H54 HydrophobicContact CG1-CB 3.74Å; I44-H54 CarbonylContact O-C 3.58Å; I44-H54 VanDerWaalsContact O-CA 3.3Å; I44-H54 WeakPolarHBondContact O-CA 3.4Å; T45-H54 WeakPolarHBondContact CG2-CE1 3.21Å; T45-H54 WeakPolarHBondContact CG2-ND1 3.1Å; T45-H54 PolarHBondContact OG1-ND1 3.04Å
55F93.5Very high85Confident22 Ų2257.4 Ų57.410%0.09632%0.323CS..EExtended strand (participates in β ladder)trans-116.6110.6-179.4-62.2-87.1000108.7I44 C46 V75 L97 T98 S101 C103I44-F55 HydrophobicContact CB-CB 4.38Å; I44-F55 PolarHBondContact N-O 3.13Å; I44-F55 PolarHBondContact O-N 3.48Å; C46-F55 VanDerWaalsContact SG-CE2 3.55Å; F55-V75 HydrophobicContact CB-CG1 3.92Å; F55-V75 HydrophobicContact CD1-CG1 4.4Å; F55-L97 HydrophobicContact CB-CD1 4.22Å; F55-L97 HydrophobicContact CD1-CB 4.26Å; F55-L97 HydrophobicContact CD2-CB 4.45Å; F55-L97 HydrophobicContact CD2-CD1 3.43Å; F55-L97 VanDerWaalsContact CD2-CD1 3.43Å; F55-L97 HydrophobicContact CE1-CB 4.42Å; F55-L97 HydrophobicContact CE2-CD1 3.91Å; F55-L97 HydrophobicContact CG-CB 4.27Å; F55-L97 HydrophobicContact CG-CD1 3.82Å; F55-T98 HydrophobicContact CD1-CG2 3.82Å; F55-T98 HydrophobicContact CE1-CG2 3.97Å; F55-S101 WeakPolarHBondContact CE1-OG 3.43Å; F55-S101 WeakPolarHBondContact CZ-OG 3.41Å; F55-C103 HydrophobicContact CE2-CB 3.87Å; F55-C103 HydrophobicContact CZ-CB 3.62Å
56P91.9Very high84.3Confident74 Ų7460.3 Ų60.348%0.48134%0.341SS..EExtended strand (participates in β ladder)trans-68134.1175.628.9-33.2000109.8V58P56-V58 PolarHBondContact O-N 3.1Å
57I92.7Very high83.2Confident1 Ų168.3 Ų68.31%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-89.4104.7171.5-60160.7000106.9V32 Y42 I44 R59 Y73 K74 V75 V83 L86V32-I57 HydrophobicContact CG1-CD1 4.16Å; Y42-I57 PolarHBondContact O-N 3.37Å; I44-I57 HydrophobicContact CD1-CD1 4.2Å; I44-I57 HydrophobicContact CD1-CG1 4.17Å; I44-I57 HydrophobicContact CG1-CD1 3.65Å; I44-I57 HydrophobicContact CG1-CG1 3.86Å; I57-R59 PolarHBondContact O-N 3.13Å; I57-Y73 HydrophobicContact CG2-CD1 4.01Å; I57-Y73 HydrophobicContact CG2-CG 4.38Å; I57-K74 CarbonylContact C-O 3.52Å; I57-K74 WeakPolarHBondContact CA-O 3.43Å; I57-V75 HydrophobicContact CG1-CG2 3.84Å; I57-V83 HydrophobicContact CD1-CG1 3.72Å; I57-V83 HydrophobicContact CD1-CG2 4.38Å; I57-V83 HydrophobicContact CG2-CG2 4.33Å; I57-L86 HydrophobicContact CG2-CD1 4.03Å
58V88.8Confident82.5Confident55 Ų5575.3 Ų75.333%0.33341%0.409SS..EExtended strand (participates in β ladder)trans-70.2116.2178.2-179.80000109P56 Y73 K74P56-V58 PolarHBondContact O-N 3.1Å; V58-Y73 WeakPolarHBondContact O-CA 3.38Å; V58-K74 HydrophobicContact CB-CG 4.09Å; V58-K74 PolarHBondContact N-O 3.05Å; V58-K74 PolarHBondContact O-N 3.13Å
59R88.7Confident82.1Confident103 Ų10377.4 Ų77.439%0.38942%0.421SS..EExtended strand (participates in β ladder)trans-82.3120.9165.9-173.9-178.7175.2-168.4-1.7108.2D40 E41 I57 V71 Y73D40-R59 IonicContact OD2-NH1 3.1Å; E41-R59 HydrophobicContact CG-CB 4.44Å; I57-R59 PolarHBondContact O-N 3.13Å; R59-V71 HydrophobicContact CG-CG1 3.55Å; R59-Y73 HydrophobicContact CB-CD1 4.27Å; R59-Y73 HydrophobicContact CB-CE1 4.11Å; R59-Y73 HydrophobicContact CG-CD1 4.41Å; R59-Y73 HydrophobicContact CG-CE1 3.9Å
60S84.7Confident82Confident38 Ų3878.7 Ų78.727%0.26642%0.419SS..EExtended strand (participates in β ladder)trans-130.6148.4178.453.10000111V71 V72S60-V71 WeakPolarHBondContact O-CA 3.47Å; S60-V72 PolarHBondContact N-O 3.13Å; S60-V72 PolarHBondContact O-N 2.94Å; S60-V72 WeakPolarHBondContact OG-CG2 3.45Å; S60-V72 PolarHBondContact OG-O 3.48Å
61S81.3Confident82.4Confident46 Ų4679.3 Ų79.332%0.32242%0.415SS..EExtended strand (participates in β ladder)trans-100.8127.7177.4-164.30000110.6E69S61-E69 WeakPolarHBondContact CB-OE1 3.49Å; S61-E69 WeakPolarHBondContact OG-CG 3.5Å; S61-E69 PolarHBondContact OG-OE1 3.26Å
62T78.4Confident82.7Confident64 Ų6476.2 Ų76.239%0.39339%0.394SS..EExtended strand (participates in β ladder)trans-96.1126.9178.7-29.90000108.3E69 R70 V72T62-E69 WeakPolarHBondContact O-CA 3.48Å; T62-R70 WeakPolarHBondContact CB-O 3.48Å; T62-R70 PolarHBondContact N-O 2.85Å; T62-R70 PolarHBondContact O-N 3.45Å; T62-R70 PolarHBondContact OG1-O 3.36Å; T62-V72 WeakPolarHBondContact OG1-CG2 3.44Å
63Q72.3Confident83Confident110 Ų11075.5 Ų75.551%0.51439%0.385SS..SBendtrans56.756.3-171.9-50.6-17838.600113.6T66Q63-T66 HydrophobicContact CB-CG2 4.09Å; Q63-T66 WeakPolarHBondContact CB-OG1 3.35Å; Q63-T66 PolarHBondContact O-N 3.41Å; Q63-T66 PolarHBondContact O-OG1 3.24Å
64P70.9Confident83.1Confident76 Ų7677.2 Ų77.249%0.49439%0.388SS..THydrogen-bonded Turntrans-58.5146.9176.927.8-35.8000111.3T66P64-T66 VanDerWaalsContact C-N 3.3Å; P64-T66 PolarHBondContact O-N 2.89Å
65N68.4Low83Confident162 Ų16276.6 Ų76.687%0.86639%0.387SS*.THydrogen-bonded Turntrans6329.4-175.5-53.8-35.2000114.2E69N65-E69 PolarHBondContact N-OE2 3.32Å
66T77.9Confident82.7Confident60 Ų6077.9 Ų77.937%0.36840%0.395SS..SBendtrans-127.2161.5172.377.10000111.4Q63 P64 Y68 E69Q63-T66 HydrophobicContact CB-CG2 4.09Å; Q63-T66 WeakPolarHBondContact CB-OG1 3.35Å; Q63-T66 PolarHBondContact O-N 3.41Å; Q63-T66 PolarHBondContact O-OG1 3.24Å; P64-T66 VanDerWaalsContact C-N 3.3Å; P64-T66 PolarHBondContact O-N 2.89Å; T66-Y68 PolarHBondContact O-N 2.84Å; T66-Y68 VanDerWaalsContact O-N 3.14Å; T66-Y68 PolarHBondContact OG1-N 2.84Å; T66-E69 WeakPolarHBondContact O-CB 3.29Å; T66-E69 PolarHBondContact O-N 3.36Å; T66-E69 PolarHBondContact OG1-N 2.8Å
67I70.8Confident82.3Confident168 Ų16879 Ų7986%0.86240%0.397SS*.THydrogen-bonded Turntrans-65.2-15173.8-38.7174.9000111.4
68Y74.3Confident82.1Confident159 Ų15981.7 Ų81.762%0.62441%0.41SS*.THydrogen-bonded Turntrans-99.515.3179.8-53.6-68.6000112.8T66 R70T66-Y68 PolarHBondContact O-N 2.84Å; T66-Y68 VanDerWaalsContact O-N 3.14Å; T66-Y68 PolarHBondContact OG1-N 2.84Å; Y68-R70 PolarHBondContact O-N 3.05Å
69E78.6Confident82.2Confident99 Ų9983.1 Ų83.146%0.46342%0.418SS..  trans-58.2121-179.3-171.6166.4172.700111.6S61 T62 N65 T66S61-E69 WeakPolarHBondContact CB-OE1 3.49Å; S61-E69 WeakPolarHBondContact OG-CG 3.5Å; S61-E69 PolarHBondContact OG-OE1 3.26Å; T62-E69 WeakPolarHBondContact O-CA 3.48Å; N65-E69 PolarHBondContact N-OE2 3.32Å; T66-E69 WeakPolarHBondContact O-CB 3.29Å; T66-E69 PolarHBondContact O-N 3.36Å; T66-E69 PolarHBondContact OG1-N 2.8Å
70R80.3Confident82.4Confident168 Ų16879.5 Ų79.563%0.63441%0.405SS*.EExtended strand (participates in β ladder)trans-128.9122.4-179.4-71.4-177.2-171.1-172.43.6111.8T62 Y68 V72T62-R70 WeakPolarHBondContact CB-O 3.48Å; T62-R70 PolarHBondContact N-O 2.85Å; T62-R70 PolarHBondContact O-N 3.45Å; T62-R70 PolarHBondContact OG1-O 3.36Å; Y68-R70 PolarHBondContact O-N 3.05Å; R70-V72 PolarHBondContact O-N 3.32Å
71V85.4Confident82.7Confident54 Ų5483.4 Ų83.433%0.32742%0.423SS..EExtended strand (participates in β ladder)trans-70.9124.9170.2-179.90000109.4R59 S60 Y73R59-V71 HydrophobicContact CG-CG1 3.55Å; S60-V71 WeakPolarHBondContact O-CA 3.47Å; V71-Y73 HydrophobicContact CG1-CE2 3.97Å
72V90.9Very high83.2Confident13 Ų1381.9 Ų81.98%0.07941%0.413CS..EExtended strand (participates in β ladder)trans-125.1146.4172.4-60.40000110.7S60 T62 R70 T79 F80S60-V72 PolarHBondContact N-O 3.13Å; S60-V72 PolarHBondContact O-N 2.94Å; S60-V72 WeakPolarHBondContact OG-CG2 3.45Å; S60-V72 PolarHBondContact OG-O 3.48Å; T62-V72 WeakPolarHBondContact OG1-CG2 3.44Å; R70-V72 PolarHBondContact O-N 3.32Å; V72-T79 HydrophobicContact CG2-CG2 4.07Å; V72-F80 WeakPolarHBondContact CA-O 3.49Å
73Y92.5Very high83.9Confident39 Ų3979 Ų7915%0.15340%0.395CS..EExtended strand (participates in β ladder)trans-109.7136.5-178.7-61.1-87.2000109.9Y42 I57 V58 R59 V71 F80 V83Y42-Y73 HydrophobicContact CD2-CE1 4.3Å; Y42-Y73 HydrophobicContact CE2-CE1 4.18Å; I57-Y73 HydrophobicContact CG2-CD1 4.01Å; I57-Y73 HydrophobicContact CG2-CG 4.38Å; V58-Y73 WeakPolarHBondContact O-CA 3.38Å; R59-Y73 HydrophobicContact CB-CD1 4.27Å; R59-Y73 HydrophobicContact CB-CE1 4.11Å; R59-Y73 HydrophobicContact CG-CD1 4.41Å; R59-Y73 HydrophobicContact CG-CE1 3.9Å; V71-Y73 HydrophobicContact CG1-CE2 3.97Å; Y73-F80 PolarHBondContact N-O 3.42Å; Y73-F80 PolarHBondContact O-N 2.97Å; Y73-V83 HydrophobicContact CD1-CG2 3.71Å; Y73-V83 HydrophobicContact CD2-CG2 4.46Å; Y73-V83 HydrophobicContact CE1-CG2 4.04Å; Y73-V83 HydrophobicContact CG-CG2 3.95Å
74K91.5Very high84.9Confident76 Ų7674 Ų7433%0.3337%0.372SS..EExtended strand (participates in β ladder)trans-146.5156.7176.764.3179.7-173.3168.40112.5I57 V58 E78 T79I57-K74 CarbonylContact C-O 3.52Å; I57-K74 WeakPolarHBondContact CA-O 3.43Å; V58-K74 HydrophobicContact CB-CG 4.09Å; V58-K74 PolarHBondContact N-O 3.05Å; V58-K74 PolarHBondContact O-N 3.13Å; K74-E78 WeakPolarHBondContact CA-O 3.38Å; K74-E78 WeakPolarHBondContact CB-O 3.21Å; K74-T79 HydrophobicContact CB-CG2 4.32Å; K74-T79 HydrophobicContact CD-CG2 4.15Å
75V89.6Confident85.9Confident22 Ų2271.7 Ų71.713%0.13336%0.36CS..SBendtrans-113.1-41.7170.41750000110.5I44 F55 I57 L86 L97 T98I44-V75 HydrophobicContact CD1-CG2 3.99Å; F55-V75 HydrophobicContact CB-CG1 3.92Å; F55-V75 HydrophobicContact CD1-CG1 4.4Å; I57-V75 HydrophobicContact CG1-CG2 3.84Å; V75-L86 HydrophobicContact CG2-CD1 4.12Å; V75-L86 HydrophobicContact CG2-CD2 4.04Å; V75-L97 HydrophobicContact CG1-CB 4.3Å; V75-L97 WeakPolarHBondContact CG1-O 3.48Å; V75-T98 HydrophobicContact CG1-CG2 4.04Å
76D87.4Confident87.2Confident48 Ų4864 Ų6426%0.25732%0.319SS..SBendtrans-125.3-135.3174-155.2-5.8000108.9E78 T98 R99D76-E78 VanDerWaalsContact C-N 3.35Å; D76-E78 PolarHBondContact O-N 2.96Å; D76-T98 HydrophobicContact CB-CG2 4.41Å; D76-T98 VanDerWaalsContact OD2-CA 3.27Å; D76-T98 WeakPolarHBondContact OD2-CA 3.33Å; D76-R99 PolarHBondContact OD2-N 2.95Å
77D83.3Confident88Confident99 Ų9961.4 Ų61.453%0.52930%0.302SS..SBendtrans-61.9-32.5179.1-61.7-54.7000115.1R99D77-R99 IonicContact OD2-CZ 3.22Å; D77-R99 IonicContact OD2-NE 3.01Å; D77-R99 PolarHBondContact OD2-NE 3.24Å; D77-R99 IonicContact OD2-NH2 2.66Å; D77-R99 PolarHBondContact OD2-NH2 2.97Å
78E88.5Confident89Confident57 Ų5760 Ų6027%0.26629%0.286SS..  trans-86.8130.8-167.8-72.4173.3163.400113.6K74 D76 F80 F89 K95K74-E78 WeakPolarHBondContact CA-O 3.38Å; K74-E78 WeakPolarHBondContact CB-O 3.21Å; D76-E78 VanDerWaalsContact C-N 3.35Å; D76-E78 PolarHBondContact O-N 2.96Å; E78-F80 HydrophobicContact CB-CE2 3.7Å; E78-F80 HydrophobicContact CB-CZ 3.88Å; E78-F80 WeakPolarHBondContact O-CE2 3.48Å; E78-F89 WeakPolarHBondContact OE2-CE1 3.49Å; E78-F89 VanDerWaalsContact OE2-CZ 3.32Å; E78-F89 WeakPolarHBondContact OE2-CZ 3.2Å; E78-K95 IonicContact OE1-NZ 2.65Å; E78-K95 PolarHBondContact OE1-NZ 3.05Å; E78-K95 IonicContact OE2-NZ 2.86Å; E78-K95 PolarHBondContact OE2-NZ 3.41Å
79T91.4Very high89.9Confident84 Ų8455.2 Ų55.252%0.51527%0.269SS..EExtended strand (participates in β ladder)trans-106136.6-177.554.10000112.6V72 K74V72-T79 HydrophobicContact CG2-CG2 4.07Å; K74-T79 HydrophobicContact CB-CG2 4.32Å; K74-T79 HydrophobicContact CD-CG2 4.15Å
80F92.6Very high90.6Very high27 Ų2750.6 Ų50.612%0.11825%0.247CC..EExtended strand (participates in β ladder)trans-131.1146.9-177.6-56.7-91.1000111.6V72 Y73 E78 S82 A85 L86 F89 Y90V72-F80 WeakPolarHBondContact CA-O 3.49Å; Y73-F80 PolarHBondContact N-O 3.42Å; Y73-F80 PolarHBondContact O-N 2.97Å; E78-F80 HydrophobicContact CB-CE2 3.7Å; E78-F80 HydrophobicContact CB-CZ 3.88Å; E78-F80 WeakPolarHBondContact O-CE2 3.48Å; F80-S82 PolarHBondContact O-N 2.75Å; F80-A85 HydrophobicContact CB-CB 4.41Å; F80-L86 HydrophobicContact CB-CB 3.98Å; F80-L86 HydrophobicContact CD1-CB 4.45Å; F80-L86 HydrophobicContact CD2-CB 3.65Å; F80-L86 HydrophobicContact CD2-CD1 3.71Å; F80-L86 HydrophobicContact CD2-CG 3.57Å; F80-L86 HydrophobicContact CE2-CB 4.26Å; F80-L86 HydrophobicContact CE2-CD1 4.27Å; F80-L86 HydrophobicContact CE2-CG 3.86Å; F80-L86 HydrophobicContact CG-CB 3.76Å; F80-L86 HydrophobicContact CG-CG 4.22Å; F80-F89 HydrophobicContact CD1-CB 4.38Å; F80-F89 HydrophobicContact CE1-CB 3.43Å; F80-F89 VanDerWaalsContact CE1-CB 3.43Å; F80-F89 HydrophobicContact CE1-CD1 4.11Å; F80-F89 AromaticContact CE1-CD2 3.87Å; F80-F89 HydrophobicContact CE1-CD2 3.87Å; F80-F89 AromaticContact CE1-CG 3.53Å; F80-F89 HydrophobicContact CE1-CG 3.53Å; F80-F89 HydrophobicContact CZ-CB 3.76Å; F80-F89 AromaticContact CZ-CD1 3.64Å; F80-F89 HydrophobicContact CZ-CD1 3.64Å; F80-F89 HydrophobicContact CZ-CD2 4.16Å; F80-F89 HydrophobicContact CZ-CE1 4.31Å; F80-F89 AromaticContact CZ-CG 3.57Å; F80-F89 HydrophobicContact CZ-CG 3.57Å; F80-Y90 AromaticContact CE2-CE2 3.91Å; F80-Y90 HydrophobicContact CE2-CE2 3.91Å; F80-Y90 HydrophobicContact CZ-CE2 4.25Å
81D89.9Confident91.2Very high120 Ų12044.5 Ų44.564%0.64223%0.228SC*.SBendtrans-70.9-16.6179.2-61.9-31.6000113.4
82S91.5Very high91.4Very high15 Ų1544.7 Ų44.711%0.10524%0.242CC..SBendtrans-153.4156.4177.578.10000112.7F80 A85 L86F80-S82 PolarHBondContact O-N 2.75Å; S82-A85 WeakPolarHBondContact O-CB 3.26Å; S82-A85 PolarHBondContact O-N 3.35Å; S82-A85 WeakPolarHBondContact OG-CB 3.11Å; S82-A85 PolarHBondContact OG-N 2.97Å; S82-L86 PolarHBondContact O-N 2.79Å; S82-L86 VanDerWaalsContact O-N 3.08Å
83V93.1Very high91.4Very high4 Ų449 Ų492%0.02426%0.264CS..Hα-helixtrans-62.2-42.1174.8-179.90000112.5I5 W10 V32 Y42 I57 Y73 A85 L86 I87I5-V83 HydrophobicContact CD1-CB 3.9Å; I5-V83 HydrophobicContact CD1-CG1 3.74Å; I5-V83 HydrophobicContact CD1-CG2 4.24Å; I5-V83 HydrophobicContact CG1-CB 4.46Å; I5-V83 HydrophobicContact CG1-CG1 4.43Å; W10-V83 HydrophobicContact CH2-CG1 4.25Å; W10-V83 HydrophobicContact CZ3-CG1 4.31Å; V32-V83 HydrophobicContact CG1-CG1 4.37Å; Y42-V83 HydrophobicContact CD2-CG2 3.67Å; Y42-V83 HydrophobicContact CE2-CG2 4.09Å; Y42-V83 HydrophobicContact CG-CG2 4.44Å; I57-V83 HydrophobicContact CD1-CG1 3.72Å; I57-V83 HydrophobicContact CD1-CG2 4.38Å; I57-V83 HydrophobicContact CG2-CG2 4.33Å; Y73-V83 HydrophobicContact CD1-CG2 3.71Å; Y73-V83 HydrophobicContact CD2-CG2 4.46Å; Y73-V83 HydrophobicContact CE1-CG2 4.04Å; Y73-V83 HydrophobicContact CG-CG2 3.95Å; V83-A85 VanDerWaalsContact C-N 3.29Å; V83-A85 PolarHBondContact O-N 3.06Å; V83-L86 WeakPolarHBondContact O-CB 3.27Å; V83-L86 PolarHBondContact O-N 3.04Å; V83-L86 VanDerWaalsContact O-N 3.17Å; V83-I87 HydrophobicContact CG1-CG1 4.22Å; V83-I87 WeakPolarHBondContact O-CG1 3.4Å; V83-I87 PolarHBondContact O-N 3.09Å
84P94Very high91.2Very high3 Ų354.3 Ų54.32%0.01929%0.288CS..Hα-helixtrans-59.7-33.2172.6-27.837000114.5E3 W10 R88E3-P84 HydrophobicContact CB-CB 4.29Å; E3-P84 HydrophobicContact CB-CG 4.16Å; E3-P84 VanDerWaalsContact OE2-CB 3.23Å; E3-P84 WeakPolarHBondContact OE2-CB 3.33Å; W10-P84 HydrophobicContact CH2-CB 4.37Å; W10-P84 HydrophobicContact CH2-CG 4.08Å; W10-P84 HydrophobicContact CZ2-CB 4.19Å; W10-P84 HydrophobicContact CZ2-CG 4.29Å; P84-R88 WeakPolarHBondContact O-CB 3.4Å; P84-R88 WeakPolarHBondContact O-CG 3.39Å; P84-R88 PolarHBondContact O-N 2.81Å; P84-R88 VanDerWaalsContact O-N 3.08Å; P84-R88 PolarHBondContact O-NE 3.16Å
85A92.7Very high91.1Very high29 Ų2954.4 Ų54.424%0.2429%0.288CS..Hα-helixtrans-67.8-43.4173.100000111.8F80 S82 V83 R88 F89F80-A85 HydrophobicContact CB-CB 4.41Å; S82-A85 WeakPolarHBondContact O-CB 3.26Å; S82-A85 PolarHBondContact O-N 3.35Å; S82-A85 WeakPolarHBondContact OG-CB 3.11Å; S82-A85 PolarHBondContact OG-N 2.97Å; V83-A85 VanDerWaalsContact C-N 3.29Å; V83-A85 PolarHBondContact O-N 3.06Å; A85-R88 PolarHBondContact O-N 3.22Å; A85-F89 PolarHBondContact O-N 3.36Å
86L94.2Very high91.1Very high0 Ų055.1 Ų55.10%029%0.294CS..Hα-helixtrans-57.3-51.4174.1-172.5155.6000111.4I44 I57 V75 F80 S82 V83 R88 F89 Y90I44-L86 HydrophobicContact CD1-CD2 4.01Å; I57-L86 HydrophobicContact CG2-CD1 4.03Å; V75-L86 HydrophobicContact CG2-CD1 4.12Å; V75-L86 HydrophobicContact CG2-CD2 4.04Å; F80-L86 HydrophobicContact CB-CB 3.98Å; F80-L86 HydrophobicContact CD1-CB 4.45Å; F80-L86 HydrophobicContact CD2-CB 3.65Å; F80-L86 HydrophobicContact CD2-CD1 3.71Å; F80-L86 HydrophobicContact CD2-CG 3.57Å; F80-L86 HydrophobicContact CE2-CB 4.26Å; F80-L86 HydrophobicContact CE2-CD1 4.27Å; F80-L86 HydrophobicContact CE2-CG 3.86Å; F80-L86 HydrophobicContact CG-CB 3.76Å; F80-L86 HydrophobicContact CG-CG 4.22Å; S82-L86 PolarHBondContact O-N 2.79Å; S82-L86 VanDerWaalsContact O-N 3.08Å; V83-L86 WeakPolarHBondContact O-CB 3.27Å; V83-L86 PolarHBondContact O-N 3.04Å; V83-L86 VanDerWaalsContact O-N 3.17Å; L86-R88 PolarHBondContact O-N 3.31Å; L86-F89 PolarHBondContact O-N 2.72Å; L86-Y90 HydrophobicContact CD2-CD2 3.72Å; L86-Y90 HydrophobicContact CD2-CE2 3.92Å; L86-Y90 HydrophobicContact CG-CD2 4.08Å; L86-Y90 HydrophobicContact CG-CE2 3.97Å; L86-Y90 WeakPolarHBondContact O-CD2 3.33Å; L86-Y90 PolarHBondContact O-N 3.2Å; L86-Y90 VanDerWaalsContact O-N 3.13Å
87I94.6Very high91.2Very high5 Ų552.9 Ų52.93%0.02628%0.281CS..Hα-helixtrans-61-46.8179.9-66-60.1000111.4W10 F30 V32 I44 V83 F89 Y90 V91 I105W10-I87 HydrophobicContact CH2-CB 4.27Å; W10-I87 HydrophobicContact CH2-CG1 3.83Å; W10-I87 HydrophobicContact CZ2-CB 4.13Å; W10-I87 HydrophobicContact CZ2-CG1 4.17Å; W10-I87 HydrophobicContact CZ2-CG2 4.16Å; W10-I87 HydrophobicContact CZ3-CG1 4.03Å; F30-I87 HydrophobicContact CD2-CD1 4.41Å; F30-I87 HydrophobicContact CE2-CD1 4.06Å; F30-I87 HydrophobicContact CE2-CG2 3.57Å; F30-I87 HydrophobicContact CZ-CG2 3.58Å; V32-I87 HydrophobicContact CG2-CD1 3.81Å; V32-I87 HydrophobicContact CG2-CG1 4.17Å; I44-I87 HydrophobicContact CD1-CD1 3.72Å; I44-I87 HydrophobicContact CG1-CD1 4.09Å; V83-I87 HydrophobicContact CG1-CG1 4.22Å; V83-I87 WeakPolarHBondContact O-CG1 3.4Å; V83-I87 PolarHBondContact O-N 3.09Å; I87-F89 VanDerWaalsContact C-N 3.27Å; I87-F89 PolarHBondContact O-N 3.17Å; I87-Y90 PolarHBondContact O-N 3.08Å; I87-V91 HydrophobicContact CG2-CG2 4.14Å; I87-V91 WeakPolarHBondContact O-CB 3.08Å; I87-V91 WeakPolarHBondContact O-CG2 3.47Å; I87-V91 PolarHBondContact O-N 3.33Å; I87-I105 HydrophobicContact CD1-CD1 4.05Å
88R93.1Very high91.5Very high139 Ų13949.2 Ų49.253%0.52526%0.263SS..Hα-helixtrans-58.1-38.5176.8-79.4-175.2-67.2-152.8-5.4112.6E3 P84 A85 L86 G92E3-R88 IonicContact OE1-CZ 3.69Å; E3-R88 VanDerWaalsContact OE1-CZ 3.27Å; E3-R88 IonicContact OE1-NH1 3.67Å; E3-R88 PolarHBondContact OE1-NH1 3.06Å; E3-R88 IonicContact OE1-NH2 3.5Å; E3-R88 PolarHBondContact OE1-NH2 3.44Å; E3-R88 IonicContact OE2-CZ 3.42Å; E3-R88 VanDerWaalsContact OE2-CZ 3.24Å; E3-R88 IonicContact OE2-NH1 2.97Å; E3-R88 PolarHBondContact OE2-NH1 3.31Å; E3-R88 IonicContact OE2-NH2 2.83Å; E3-R88 PolarHBondContact OE2-NH2 3.08Å; P84-R88 WeakPolarHBondContact O-CB 3.4Å; P84-R88 WeakPolarHBondContact O-CG 3.39Å; P84-R88 PolarHBondContact O-N 2.81Å; P84-R88 VanDerWaalsContact O-N 3.08Å; P84-R88 PolarHBondContact O-NE 3.16Å; A85-R88 PolarHBondContact O-N 3.22Å; L86-R88 PolarHBondContact O-N 3.31Å; R88-G92 WeakPolarHBondContact O-CA 3.33Å; R88-G92 PolarHBondContact O-N 2.91Å
89F93Very high91.2Very high58 Ų5855 Ų5525%0.25428%0.282SS..Hα-helixtrans-65.4-52.9177.9178.7-82.1000112.3E78 F80 A85 L86 I87 N93 K95E78-F89 WeakPolarHBondContact OE2-CE1 3.49Å; E78-F89 VanDerWaalsContact OE2-CZ 3.32Å; E78-F89 WeakPolarHBondContact OE2-CZ 3.2Å; F80-F89 HydrophobicContact CD1-CB 4.38Å; F80-F89 HydrophobicContact CE1-CB 3.43Å; F80-F89 VanDerWaalsContact CE1-CB 3.43Å; F80-F89 HydrophobicContact CE1-CD1 4.11Å; F80-F89 AromaticContact CE1-CD2 3.87Å; F80-F89 HydrophobicContact CE1-CD2 3.87Å; F80-F89 AromaticContact CE1-CG 3.53Å; F80-F89 HydrophobicContact CE1-CG 3.53Å; F80-F89 HydrophobicContact CZ-CB 3.76Å; F80-F89 AromaticContact CZ-CD1 3.64Å; F80-F89 HydrophobicContact CZ-CD1 3.64Å; F80-F89 HydrophobicContact CZ-CD2 4.16Å; F80-F89 HydrophobicContact CZ-CE1 4.31Å; F80-F89 AromaticContact CZ-CG 3.57Å; F80-F89 HydrophobicContact CZ-CG 3.57Å; A85-F89 PolarHBondContact O-N 3.36Å; L86-F89 PolarHBondContact O-N 2.72Å; I87-F89 VanDerWaalsContact C-N 3.27Å; I87-F89 PolarHBondContact O-N 3.17Å; F89-N93 WeakPolarHBondContact CD2-ND2 3.33Å; F89-N93 WeakPolarHBondContact CE2-ND2 3.48Å; F89-N93 WeakPolarHBondContact CZ-ND2 3.49Å; F89-N93 WeakPolarHBondContact O-CB 3.45Å; F89-N93 PolarHBondContact O-N 3.23Å; F89-N93 PolarHBondContact O-ND2 3.02Å; F89-K95 HydrophobicContact CE1-CB 4.48Å; F89-K95 HydrophobicContact CE1-CD 3.75Å; F89-K95 HydrophobicContact CZ-CD 4.29Å
90Y93.7Very high90.7Very high3 Ų356.2 Ų56.21%0.01229%0.294CS..Hα-helixtrans-66.8-41.4-176.2-78.9-79.5000112.2F80 L86 I87 K94 K95 P96 L97F80-Y90 AromaticContact CE2-CE2 3.91Å; F80-Y90 HydrophobicContact CE2-CE2 3.91Å; F80-Y90 HydrophobicContact CZ-CE2 4.25Å; L86-Y90 HydrophobicContact CD2-CD2 3.72Å; L86-Y90 HydrophobicContact CD2-CE2 3.92Å; L86-Y90 HydrophobicContact CG-CD2 4.08Å; L86-Y90 HydrophobicContact CG-CE2 3.97Å; L86-Y90 WeakPolarHBondContact O-CD2 3.33Å; L86-Y90 PolarHBondContact O-N 3.2Å; L86-Y90 VanDerWaalsContact O-N 3.13Å; I87-Y90 PolarHBondContact O-N 3.08Å; Y90-K94 WeakPolarHBondContact O-CA 3.24Å; Y90-K94 PolarHBondContact O-N 3.34Å; Y90-K94 VanDerWaalsContact O-N 3.1Å; Y90-K95 HydrophobicContact CD1-CB 4.12Å; Y90-K95 HydrophobicContact CE1-CD 4.34Å; Y90-K95 HydrophobicContact CE1-CG 4.49Å; Y90-K95 PolarHBondContact O-N 2.85Å; Y90-P96 WeakPolarHBondContact CE1-O 3.2Å; Y90-L97 HydrophobicContact CD1-CD2 3.89Å; Y90-L97 HydrophobicContact CD2-CD2 4.05Å; Y90-L97 HydrophobicContact CE1-CD2 4.34Å; Y90-L97 HydrophobicContact CE2-CD2 4.5Å; Y90-L97 HydrophobicContact CG-CD2 3.75Å
91V92.6Very high90.2Very high39 Ų3956.8 Ų56.824%0.23630%0.301CS..Hα-helixtrans-67.2-48.9176.4174.10000111.3F30 I87 K94 I105F30-V91 HydrophobicContact CD1-CG2 4.46Å; F30-V91 HydrophobicContact CE1-CG2 3.58Å; F30-V91 HydrophobicContact CZ-CG2 3.74Å; I87-V91 HydrophobicContact CG2-CG2 4.14Å; I87-V91 WeakPolarHBondContact O-CB 3.08Å; I87-V91 WeakPolarHBondContact O-CG2 3.47Å; I87-V91 PolarHBondContact O-N 3.33Å; V91-K94 PolarHBondContact O-N 2.91Å; V91-I105 HydrophobicContact CG2-CD1 3.85Å; V91-I105 HydrophobicContact CG2-CG1 3.9Å
92G89.1Confident90Very high59 Ų5957.1 Ų57.161%0.60830%0.299SS*.Hα-helixtrans-66.2-41-17600000113.4R88R88-G92 WeakPolarHBondContact O-CA 3.33Å; R88-G92 PolarHBondContact O-N 2.91Å
93N90.2Very high89.8Confident103 Ų10356.4 Ų56.455%0.55129%0.294SS*.Hα-helixtrans-88.6-3179.9-64.4-38.7000113.7F89 K95F89-N93 WeakPolarHBondContact CD2-ND2 3.33Å; F89-N93 WeakPolarHBondContact CE2-ND2 3.48Å; F89-N93 WeakPolarHBondContact CZ-ND2 3.49Å; F89-N93 WeakPolarHBondContact O-CB 3.45Å; F89-N93 PolarHBondContact O-N 3.23Å; F89-N93 PolarHBondContact O-ND2 3.02Å; N93-K95 PolarHBondContact O-N 2.91Å; N93-K95 VanDerWaalsContact O-N 3.13Å
94K88.3Confident89.6Confident150 Ų15058.5 Ų58.565%0.65230%0.304SS*.THydrogen-bonded Turntrans49.135.2-173.7-59.4-176.5179.3-178.70113Y90 V91 I104Y90-K94 WeakPolarHBondContact O-CA 3.24Å; Y90-K94 PolarHBondContact O-N 3.34Å; Y90-K94 VanDerWaalsContact O-N 3.1Å; V91-K94 PolarHBondContact O-N 2.91Å; K94-I104 HydrophobicContact CB-CG2 4.09Å; K94-I104 WeakPolarHBondContact O-CD1 3.17Å
95K90Very high89.5Confident78 Ų7858.4 Ų58.434%0.33930%0.304SS..  trans-81.2142-178.8-167.1-178.3-178.4-179.70109.6E78 F89 Y90 N93E78-K95 IonicContact OE1-NZ 2.65Å; E78-K95 PolarHBondContact OE1-NZ 3.05Å; E78-K95 IonicContact OE2-NZ 2.86Å; E78-K95 PolarHBondContact OE2-NZ 3.41Å; F89-K95 HydrophobicContact CE1-CB 4.48Å; F89-K95 HydrophobicContact CE1-CD 3.75Å; F89-K95 HydrophobicContact CZ-CD 4.29Å; Y90-K95 HydrophobicContact CD1-CB 4.12Å; Y90-K95 HydrophobicContact CE1-CD 4.34Å; Y90-K95 HydrophobicContact CE1-CG 4.49Å; Y90-K95 PolarHBondContact O-N 2.85Å; N93-K95 PolarHBondContact O-N 2.91Å; N93-K95 VanDerWaalsContact O-N 3.13Å
96P90.6Very high89.4Confident38 Ų3859.9 Ų59.925%0.24731%0.312CS..  trans-64.7138.2172.627-36000111.5Y90 T98 C103 I104Y90-P96 WeakPolarHBondContact CE1-O 3.2Å; P96-T98 VanDerWaalsContact C-N 3.29Å; P96-T98 PolarHBondContact O-N 2.94Å; P96-C103 CarbonylContact C-O 3.51Å; P96-C103 VanDerWaalsContact CA-O 3.25Å; P96-C103 WeakPolarHBondContact CA-O 3.23Å; P96-I104 HydrophobicContact CB-CG1 4.25Å
97L89.5Confident89.3Confident0 Ų062.3 Ų62.30%033%0.329CS..SBendtrans-59.2-36.8-179.3-78179.1000113.1I44 F55 V75 Y90 C103 I105I44-L97 HydrophobicContact CD1-CD1 4.24Å; I44-L97 HydrophobicContact CD1-CD2 3.74Å; I44-L97 HydrophobicContact CG2-CD1 4.11Å; F55-L97 HydrophobicContact CB-CD1 4.22Å; F55-L97 HydrophobicContact CD1-CB 4.26Å; F55-L97 HydrophobicContact CD2-CB 4.45Å; F55-L97 HydrophobicContact CD2-CD1 3.43Å; F55-L97 VanDerWaalsContact CD2-CD1 3.43Å; F55-L97 HydrophobicContact CE1-CB 4.42Å; F55-L97 HydrophobicContact CE2-CD1 3.91Å; F55-L97 HydrophobicContact CG-CB 4.27Å; F55-L97 HydrophobicContact CG-CD1 3.82Å; V75-L97 HydrophobicContact CG1-CB 4.3Å; V75-L97 WeakPolarHBondContact CG1-O 3.48Å; Y90-L97 HydrophobicContact CD1-CD2 3.89Å; Y90-L97 HydrophobicContact CD2-CD2 4.05Å; Y90-L97 HydrophobicContact CE1-CD2 4.34Å; Y90-L97 HydrophobicContact CE2-CD2 4.5Å; Y90-L97 HydrophobicContact CG-CD2 3.75Å; L97-C103 PolarHBondContact N-O 2.8Å; L97-I105 HydrophobicContact CD1-CG2 3.69Å; L97-I105 HydrophobicContact CD2-CD1 4.02Å; L97-I105 HydrophobicContact CD2-CG1 4.21Å; L97-I105 HydrophobicContact CG-CG1 4.37Å; L97-I105 HydrophobicContact CG-CG2 4.26Å
98T88.4Confident89.3Confident22 Ų2264.7 Ų64.714%0.13534%0.344CS..SBendtrans-137.1147.5167.765.70000110.5F55 V75 D76 P96 S100 S101 H102F55-T98 HydrophobicContact CD1-CG2 3.82Å; F55-T98 HydrophobicContact CE1-CG2 3.97Å; V75-T98 HydrophobicContact CG1-CG2 4.04Å; D76-T98 HydrophobicContact CB-CG2 4.41Å; D76-T98 VanDerWaalsContact OD2-CA 3.27Å; D76-T98 WeakPolarHBondContact OD2-CA 3.33Å; P96-T98 VanDerWaalsContact C-N 3.29Å; P96-T98 PolarHBondContact O-N 2.94Å; T98-S100 PolarHBondContact O-N 3.18Å; T98-S100 VanDerWaalsContact O-N 3.14Å; T98-S101 PolarHBondContact O-N 2.97Å; T98-S101 PolarHBondContact O-OG 3.31Å; T98-S101 WeakPolarHBondContact OG1-CB 3.38Å; T98-S101 PolarHBondContact OG1-N 2.91Å; T98-S101 PolarHBondContact OG1-OG 2.97Å; T98-H102 PolarHBondContact O-N 2.97Å
99R82.1Confident89.2Confident180 Ų18059 Ų5968%0.67933%0.325SS*.THydrogen-bonded Turntrans-55.7-31.5179.2-64178.7-169.5-142.65.6114D76 D77 H102D76-R99 PolarHBondContact OD2-N 2.95Å; D77-R99 IonicContact OD2-CZ 3.22Å; D77-R99 IonicContact OD2-NE 3.01Å; D77-R99 PolarHBondContact OD2-NE 3.24Å; D77-R99 IonicContact OD2-NH2 2.66Å; D77-R99 PolarHBondContact OD2-NH2 2.97Å; R99-H102 PolarHBondContact O-CE1 2.83Å
100S80.7Confident89Confident109 Ų10961.1 Ų61.176%0.76234%0.339SS*.THydrogen-bonded Turntrans-85.8-28.6-175.754.30000114.8T98T98-S100 PolarHBondContact O-N 3.18Å; T98-S100 VanDerWaalsContact O-N 3.14Å
101S82.8Confident88.7Confident39 Ų3963.8 Ų63.827%0.27335%0.349SS..THydrogen-bonded Turntrans-86.1-23.7-178.363.50000113.2F55 T98 C103F55-S101 WeakPolarHBondContact CE1-OG 3.43Å; F55-S101 WeakPolarHBondContact CZ-OG 3.41Å; T98-S101 PolarHBondContact O-N 2.97Å; T98-S101 PolarHBondContact O-OG 3.31Å; T98-S101 WeakPolarHBondContact OG1-CB 3.38Å; T98-S101 PolarHBondContact OG1-N 2.91Å; T98-S101 PolarHBondContact OG1-OG 2.97Å; S101-C103 PolarHBondContact O-N 2.89Å; S101-C103 WeakPolarHBondContact OG-CB 3.36Å; S101-C103 PolarHBondContact OG-N 3.38Å
102H85.9Confident87.9Confident126 Ų12664.9 Ų64.958%0.58336%0.357SS*.  trans51.518.2-166.4-58.3-72000114W48 T98 R99 I104W48-H102 VanDerWaalsContact CZ2-O 3.25Å; W48-H102 WeakPolarHBondContact CZ2-O 3.29Å; W48-H102 PolarHBondContact NE1-O 3.48Å; T98-H102 PolarHBondContact O-N 2.97Å; R99-H102 PolarHBondContact O-CE1 2.83Å; H102-I104 PolarHBondContact O-N 3.43Å
103C86.7Confident86.9Confident1 Ų168.7 Ų68.71%0.00737%0.371CS..  trans-75114.3-174.61750000111.1W48 F55 P96 L97 S101W48-C103 HydrophobicContact CB-CB 4.22Å; W48-C103 HydrophobicContact CD2-CB 4.45Å; W48-C103 HydrophobicContact CG-CB 3.99Å; F55-C103 HydrophobicContact CE2-CB 3.87Å; F55-C103 HydrophobicContact CZ-CB 3.62Å; P96-C103 CarbonylContact C-O 3.51Å; P96-C103 VanDerWaalsContact CA-O 3.25Å; P96-C103 WeakPolarHBondContact CA-O 3.23Å; L97-C103 PolarHBondContact N-O 2.8Å; S101-C103 PolarHBondContact O-N 2.89Å; S101-C103 WeakPolarHBondContact OG-CB 3.36Å; S101-C103 PolarHBondContact OG-N 3.38Å
104I90.2Very high85.7Confident48 Ų4867.9 Ų67.925%0.24639%0.387CS..  trans-104.7123.5178.4-59.4166.5000109.1W48 K94 P96 H102W48-I104 HydrophobicContact CH2-CB 3.85Å; W48-I104 HydrophobicContact CH2-CD1 4.17Å; W48-I104 HydrophobicContact CH2-CG1 4.17Å; W48-I104 HydrophobicContact CZ3-CB 3.85Å; W48-I104 VanDerWaalsContact CZ3-O 3.3Å; W48-I104 WeakPolarHBondContact CZ3-O 3.42Å; K94-I104 HydrophobicContact CB-CG2 4.09Å; K94-I104 WeakPolarHBondContact O-CD1 3.17Å; P96-I104 HydrophobicContact CB-CG1 4.25Å; H102-I104 PolarHBondContact O-N 3.43Å
105I92.1Very high84.7Confident0 Ų063 Ų630%037%0.372CS..  trans-89.3140.9171.357.7167.1000110.6F30 I44 C46 I87 V91 L97F30-I105 HydrophobicContact CB-CB 4.01Å; F30-I105 HydrophobicContact CB-CG2 3.65Å; F30-I105 HydrophobicContact CD1-CB 3.75Å; F30-I105 HydrophobicContact CD1-CD1 4.32Å; F30-I105 HydrophobicContact CD1-CG1 4.49Å; F30-I105 HydrophobicContact CD1-CG2 4.36Å; F30-I105 HydrophobicContact CD2-CD1 4.16Å; F30-I105 HydrophobicContact CE1-CB 4.44Å; F30-I105 HydrophobicContact CE2-CD1 4.37Å; F30-I105 HydrophobicContact CG-CB 3.92Å; F30-I105 HydrophobicContact CG-CD1 4.15Å; F30-I105 HydrophobicContact CG-CG2 4.09Å; I44-I105 HydrophobicContact CG2-CG2 4.38Å; C46-I105 HydrophobicContact CB-CG2 3.71Å; I87-I105 HydrophobicContact CD1-CD1 4.05Å; V91-I105 HydrophobicContact CG2-CD1 3.85Å; V91-I105 HydrophobicContact CG2-CG1 3.9Å; L97-I105 HydrophobicContact CD1-CG2 3.69Å; L97-I105 HydrophobicContact CD2-CD1 4.02Å; L97-I105 HydrophobicContact CD2-CG1 4.21Å; L97-I105 HydrophobicContact CG-CG1 4.37Å; L97-I105 HydrophobicContact CG-CG2 4.26Å
106S90.5Very high83.3Confident61 Ų6163.9 Ų63.943%0.42739%0.388SS..  trans-143-40.9-175.856.70000113.8G28G28-S106 PolarHBondContact O-N 2.92Å; G28-S106 PolarHBondContact O-OG 3.22Å
107C91.3Very high82.3Confident50 Ų5065 Ų6534%0.33839%0.392SS..EExtended strand (participates in β ladder)trans-113.1116.4-172.9-172.40000111.5G28 H29 F30G28-C107 PolarHBondContact O-N 3.16Å; H29-C107 CarbonylContact C-O 3.56Å; H29-C107 VanDerWaalsContact CA-O 3.29Å; H29-C107 WeakPolarHBondContact CA-O 3.46Å; F30-C107 WeakPolarHBondContact CD1-O 3.39Å; F30-C107 PolarHBondContact N-O 3.44Å
108P93.6Very high80.7Confident55 Ų5569.2 Ų69.236%0.35742%0.417SS..EExtended strand (participates in β ladder)trans-72.2128.6176.226.9-31.3000111.7W10 F30 N110W10-P108 HydrophobicContact CB-CB 3.77Å; W10-P108 HydrophobicContact CG-CB 4.25Å; F30-P108 HydrophobicContact CE1-CB 4.01Å; F30-P108 HydrophobicContact CZ-CB 3.9Å; P108-N110 PolarHBondContact O-N 3.45Å
109V91.6Very high78.9Confident20 Ų2073.1 Ų73.112%0.12143%0.432CS..  trans-85.9108.9168.9179.80000108.8H12 L23 V24 H29 F30 L31H12-V109 PolarHBondContact NE2-O 3.35Å; L23-V109 HydrophobicContact CB-CG1 4.15Å; V24-V109 HydrophobicContact CG1-CG2 4.17Å; H29-V109 HydrophobicContact CB-CG2 3.79Å; F30-V109 PolarHBondContact O-N 3.04Å; L31-V109 HydrophobicContact CB-CB 4.39Å
110N89.5Confident76.9Confident102 Ų10267.3 Ų67.355%0.54542%0.423SS..PPolyproline II helixtrans-69.2141.2-179.2-67.9-29.6000111.9Y9 P108Y9-N110 WeakPolarHBondContact CB-OD1 3.5Å; Y9-N110 CarbonylContact O-C 3.58Å; Y9-N110 WeakPolarHBondContact O-CA 3.16Å; P108-N110 PolarHBondContact O-N 3.45Å
111R87.2Confident74.6Confident59 Ų5969.3 Ų69.322%0.22343%0.425CS..PPolyproline II helixtrans-60.7139.5168.470.7-170.8177.9-139.13.9110.3E6 N8 Y9 Y11 H12E6-R111 PolarHBondContact O-NH1 3.07Å; N8-R111 PolarHBondContact O-NH1 3.47Å; Y9-R111 WeakPolarHBondContact O-CG 3.21Å; Y9-R111 PolarHBondContact O-N 3.26Å; Y11-R111 WeakPolarHBondContact O-CD 3.39Å; H12-R111 PolarHBondContact NE2-N 2.69Å
112P76.7Confident72.1Confident63 Ų6375.5 Ų75.541%0.40945%0.454SS..PPolyproline II helixtrans-64.7142.4177.325.9-32.3000110.7G114 S115P112-G114 PolarHBondContact O-N 2.82Å; P112-S115 PolarHBondContact O-N 3.13Å; P112-S115 PolarHBondContact O-OG 2.93Å
113P68Low69.5Low139 Ų13974.3 Ų74.390%0.90346%0.46SS*.THydrogen-bonded Turntrans-59.1130.5178.824.6-33.3000110.5
114G64.9Low66.8Low86 Ų8680.6 Ų80.689%0.88750%0.498SS*.THydrogen-bonded Turntrans92.9-1.4-177.100000115.9P112 S116P112-G114 PolarHBondContact O-N 2.82Å; G114-S116 PolarHBondContact O-N 2.66Å
115S66.1Low63.9Low48 Ų4887.5 Ų87.534%0.33653%0.529SS..  trans-65.4117.2172.465.20000111.6P112P112-S115 PolarHBondContact O-N 3.13Å; P112-S115 PolarHBondContact O-OG 2.93Å
116S59.9Low60.9Low96 Ų9697.3 Ų97.367%0.67157%0.572SS**  trans-71.3130.2172.7-172.30000111G114 T118G114-S116 PolarHBondContact O-N 2.66Å; S116-T118 VanDerWaalsContact C-N 3.28Å; S116-T118 PolarHBondContact O-N 2.76Å
117L70.3Confident58.2Low62 Ų62100.2 Ų100.233%0.32559%0.592SS.*  trans-79.374.4173.7-68.2174.1000110.1E6 Y11 K119E6-L117 HydrophobicContact CB-CD1 3.95Å; E6-L117 HydrophobicContact CG-CD1 4.21Å; Y11-L117 HydrophobicContact CD1-CD1 4.38Å; Y11-L117 HydrophobicContact CD1-CD2 3.89Å; Y11-L117 HydrophobicContact CE1-CD1 4.35Å; Y11-L117 HydrophobicContact CE1-CD2 3.88Å; L117-K119 PolarHBondContact O-N 2.92Å
118T55.8Low55.3Low87 Ų87105.6 Ų105.653%0.53462%0.616SS.*  trans-77.6117.1173.550.20000110.6S14 S116S14-T118 WeakPolarHBondContact CB-O 3.41Å; S14-T118 PolarHBondContact OG-O 2.95Å; S14-T118 VanDerWaalsContact OG-O 3.11Å; S116-T118 VanDerWaalsContact C-N 3.28Å; S116-T118 PolarHBondContact O-N 2.76Å
119K51.2Low52.4Low105 Ų105108.7 Ų108.746%0.45764%0.639SS.*  trans-79114.9160.3-83.3-169.3173.1-167.30109.2D40 L117 N121D40-K119 IonicContact OD1-NZ 2.92Å; L117-K119 PolarHBondContact O-N 2.92Å; K119-N121 PolarHBondContact O-N 3.35Å
120A40.5Very low49.4Very low57 Ų57118.6 Ų118.647%0.47167%0.674SS.*  trans-81.295.9-179.500000112.1S14 L122S14-A120 PolarHBondContact OG-N 2.82Å; A120-L122 VanDerWaalsContact C-N 3.34Å; A120-L122 HydrophobicContact CB-CD1 4.4Å; A120-L122 PolarHBondContact O-N 2.74Å
121N32.7Very low46.8Very low151 Ų151120.8 Ų120.881%0.80769%0.686SS**  trans-71.687.1166.3-79.1-17.6000110.3K119 S123K119-N121 PolarHBondContact O-N 3.35Å; N121-S123 PolarHBondContact O-N 3.48Å
122L30Very low44Very low170 Ų170123.6 Ų123.689%0.8971%0.714SS**  trans-82.585.1174.7-88.5150.4000111.1A120A120-L122 VanDerWaalsContact C-N 3.34Å; A120-L122 HydrophobicContact CB-CD1 4.4Å; A120-L122 PolarHBondContact O-N 2.74Å
123S30.7Very low41.8Very low101 Ų101124.4 Ų124.471%0.70673%0.734SS**  trans-116101.2167.157.30000111N121N121-S123 PolarHBondContact O-N 3.48Å
124V29.7Very low39.9Very low133 Ų133124.9 Ų124.981%0.80673%0.728SS**  trans34.1110.4146.1-152.50000117.6
125E30.6Very low38.4Very low193 Ų193131 Ų13190%0.90273%0.726SS**  -174.7151.4103.5-95.7-171172.500112.5
126K28.5Very low36.5Very low206 Ų206137.1 Ų137.190%0.89675%0.749SS**  trans-97.5132-179.4-70.6171.8174.91730110.3
127S34.1Very low35.2Very low122 Ų122140.9 Ų140.985%0.85376%0.76SS**  trans-153.1141.614151.80000111.2
128I29.9Very low33.1Very low163 Ų163143.2 Ų143.284%0.83678%0.782SS**  trans-108.7121-176.5-65.9163.7000107.4
129S32.4Very low32.1Very low120 Ų120144.3 Ų144.384%0.83980%0.8SS**  trans-144.1120.5162-68.90000109.6
130R28.9Very low31Very low227 Ų227142.9 Ų142.986%0.85782%0.815SS**  trans-76.1140.1165-67169.3161.8136.8-7.4108
131D34.2Very low30.6Very low149 Ų149146.3 Ų146.380%0.79784%0.835SS**  -177.6153.9110.5-92.8-17.7000114.1
132S28.7Very low30.4Very low117 Ų117145 Ų14582%0.81884%0.838SS**  trans-22.3141.3170.6530000119.7
133G31.8Very low30.6Very low80 Ų80140.9 Ų140.983%0.82583%0.828SS**  trans-179.891162.400000114.5
134I27.6Very low30.7Very low150 Ų150145.6 Ų145.677%0.76984%0.836SS**  trans-68.2139.1167.1-67.7164.4000108.9
135Y32.2Very low30.9Very low215 Ų215146.8 Ų146.884%0.84384%0.838SS**  -175.9150.2125.4-92.6-61000112.5
136Q27.5Very low31.1Very low175 Ų175143.7 Ų143.782%0.81883%0.832SS**  trans-71.4157.8-176.4-61.3150.5-60.200112.2
137L32.2Very low31.3Very low175 Ų175137.9 Ų137.992%0.91682%0.822SS**  -152.7138.4129.8-108.4171.5000111
138S26.6Very low31.3Very low112 Ų112139.2 Ų139.278%0.78382%0.818SS**  trans-98.8133.6-173.351.90000112.5
139A34.6Very low31.8Very low110 Ų110136.7 Ų136.791%0.90981%0.813SS**  trans-148.6126.7157.300000108.5
140G28.3Very low32Very low74 Ų74139.1 Ų139.176%0.76381%0.811SS**  trans-106.3153.8-167.900000114.7
141S32.5Very low32.7Very low130 Ų130132 Ų13291%0.90979%0.789SS**  trans-162.6149.9139.9-85.70000110.3
142S26.8Very low33.2Very low124 Ų124127.9 Ų127.987%0.86777%0.77SS**  trans-80.4119.9-161.1-168.70000113.7
143A34Very low33.9Very low82 Ų82125.8 Ų125.868%0.67876%0.76SS**  trans-149.3111.5160.100000109.2N145A143-N145 PolarHBondContact O-N 3.05Å; A143-N145 VanDerWaalsContact O-N 3.09Å
144K34.1Very low34.9Very low200 Ų200129 Ų12987%0.8775%0.749SS**  trans-76.394.2178.9-71.5-177.5178.6179.40110.2V146K144-V146 PolarHBondContact O-N 3.38Å
145N33.9Very low35.6Very low159 Ų159126.6 Ų126.685%0.8574%0.735SS**  trans-71108.1164.3-78.6-31.3000109.3A143 A147A143-N145 PolarHBondContact O-N 3.05Å; A143-N145 VanDerWaalsContact O-N 3.09Å; N145-A147 PolarHBondContact O-N 3.34Å
146V33.6Very low36.3Very low128 Ų128123 Ų12378%0.77672%0.72SS**PPolyproline II helixtrans-73120.9170.5177.90000108.3K144 I148K144-V146 PolarHBondContact O-N 3.38Å; V146-I148 PolarHBondContact O-N 3.33Å
147A33.9Very low36.9Very low84 Ų84121.3 Ų121.369%0.69472%0.717SS**PPolyproline II helixtrans-70.3127.617400000110N145 P149N145-A147 PolarHBondContact O-N 3.34Å; A147-P149 WeakPolarHBondContact O-CD 3.35Å
148I33.8Very low37.1Very low149 Ų149118.9 Ų118.976%0.76470%0.695SS**PPolyproline II helixtrans-66.6125.1171-57.9171.6000107.4V146 E150V146-I148 PolarHBondContact O-N 3.33Å; I148-E150 PolarHBondContact O-N 3.08Å
149P39.5Very low37.6Very low111 Ų111118.9 Ų118.972%0.72169%0.693SS**PPolyproline II helixtrans-62.5124.2173.8-20.132.4000110A147 L151A147-P149 WeakPolarHBondContact O-CD 3.35Å; P149-L151 PolarHBondContact O-N 3.05Å
150E37.7Very low37.8Very low171 Ų171119.7 Ų119.780%0.79968%0.681SS**PPolyproline II helixtrans-64.8124.9175-72.3-159.7135.600110.5I148 P152I148-E150 PolarHBondContact O-N 3.08Å; E150-P152 WeakPolarHBondContact O-CD 3.47Å
151L43.6Very low38.1Very low78 Ų78121.5 Ų121.541%0.40868%0.68SS.*PPolyproline II helixtrans-57.2119.7169.6-103.8155.3000109.5L25 P149 M155 R156L25-L151 HydrophobicContact CD2-CD1 4.36Å; P149-L151 PolarHBondContact O-N 3.05Å; L151-M155 HydrophobicContact CD2-CB 3.87Å; L151-M155 HydrophobicContact CD2-CE 4.23Å; L151-M155 HydrophobicContact CD2-CG 4.36Å; L151-M155 HydrophobicContact CD2-SD 3.71Å; L151-R156 PolarHBondContact O-NE 3.42Å; L151-R156 PolarHBondContact O-NH2 3.43Å
152P44.2Very low38.2Very low61 Ų61125.2 Ų125.240%0.39668%0.679SS.*PPolyproline II helixtrans-53.8140.2179.4-28.736.3000111.9E150 Y154 M155E150-P152 WeakPolarHBondContact O-CD 3.47Å; P152-Y154 HydrophobicContact CB-CD1 3.56Å; P152-Y154 HydrophobicContact CB-CE1 3.38Å; P152-Y154 HydrophobicContact CG-CE1 4.03Å; P152-Y154 PolarHBondContact O-N 2.98Å; P152-M155 PolarHBondContact O-N 2.79Å
153A42.6Very low38.3Very low73 Ų73126.2 Ų126.260%0.60367%0.674SS**G310 helixtrans-55-31-17200000113.9M155 R156A153-M155 PolarHBondContact O-N 2.92Å; A153-R156 PolarHBondContact O-N 2.87Å
154Y53.4Low38.2Very low149 Ų149128.1 Ų128.158%0.58468%0.68SS**G310 helixtrans-65.6-20.5178.376.7-98.2000114.2P152P152-Y154 HydrophobicContact CB-CD1 3.56Å; P152-Y154 HydrophobicContact CB-CE1 3.38Å; P152-Y154 HydrophobicContact CG-CE1 4.03Å; P152-Y154 PolarHBondContact O-N 2.98Å
155M42.5Very low37.9Very low99 Ų99123.6 Ų123.649%0.48867%0.672SS.*G310 helixtrans-84.3-19.6179.5-65-167.572.500113.5L151 P152 A153 N157L151-M155 HydrophobicContact CD2-CB 3.87Å; L151-M155 HydrophobicContact CD2-CE 4.23Å; L151-M155 HydrophobicContact CD2-CG 4.36Å; L151-M155 HydrophobicContact CD2-SD 3.71Å; P152-M155 PolarHBondContact O-N 2.79Å; A153-M155 PolarHBondContact O-N 2.92Å; M155-N157 VanDerWaalsContact C-N 3.27Å; M155-N157 PolarHBondContact O-N 2.91Å
156R46.1Very low37.8Very low138 Ų138124.9 Ų124.952%0.52167%0.673SS.*THydrogen-bonded Turntrans-73.1-18.5-174.9-60.5-177.1-163.1170.16.4113.9L151 A153L151-R156 PolarHBondContact O-NE 3.42Å; L151-R156 PolarHBondContact O-NH2 3.43Å; A153-R156 PolarHBondContact O-N 2.87Å
157N41.2Very low37.6Very low141 Ų141126 Ų12675%0.75467%0.673SS**THydrogen-bonded Turntrans-120.618-167.5-64.1-16.2000114.3M155 P159M155-N157 VanDerWaalsContact C-N 3.27Å; M155-N157 PolarHBondContact O-N 2.91Å; N157-P159 VanDerWaalsContact O-CD 3.29Å; N157-P159 WeakPolarHBondContact O-CD 3.06Å
158R36.9Very low37.4Very low123 Ų123126.8 Ų126.846%0.46467%0.672SS.*PPolyproline II helixtrans-75.2118.8172.8-88.9-163.1178.6-144.20.7109.9V306 D307R158-V306 PolarHBondContact NH2-O 2.68Å; R158-D307 IonicContact NH1-OD1 2.8Å; R158-D307 PolarHBondContact NH1-OD1 3.47Å
159P36.2Very low37.3Very low112 Ų112124.9 Ų124.973%0.72767%0.672SS**PPolyproline II helixtrans-62.9138.6162.628.3-33000108.9N157N157-P159 VanDerWaalsContact O-CD 3.29Å; N157-P159 WeakPolarHBondContact O-CD 3.06Å
160L38.6Very low36.9Very low127 Ų127127 Ų12767%0.66568%0.676SS**PPolyproline II helixtrans-60.7138.6175-71.8164.9000109.9K162L160-K162 PolarHBondContact O-N 2.96Å
161P34.8Very low36.5Very low113 Ų113125.6 Ų125.673%0.73467%0.674SS**PPolyproline II helixtrans-58.9131.3170.225.4-32.5000108.7L163P161-L163 PolarHBondContact O-N 3.36Å
162K35.1Very low35.9Very low208 Ų208133.6 Ų133.690%0.90470%0.699SS**  trans-65.5109.6177.1-70-179.6179.2177.90108.4L160L160-K162 PolarHBondContact O-N 2.96Å
163L29.5Very low35.4Very low145 Ų145136 Ų13676%0.75971%0.713SS**  trans-51.4132.9167.7-78.6162000109P161 C165P161-L163 PolarHBondContact O-N 3.36Å; L163-C165 PolarHBondContact O-N 3.11Å
164P31.4Very low34.8Very low122 Ų122142.2 Ų142.279%0.79273%0.726SS**  trans-74.171.6177.129.5-33.4000110.7Q166P164-Q166 PolarHBondContact O-N 2.91Å
165C28.5Very low33.6Very low104 Ų104141.2 Ų141.270%0.70374%0.739SS**  trans-76.866.6170.6-65.30000110.8L163 L167L163-C165 PolarHBondContact O-N 3.11Å; C165-L167 PolarHBondContact O-N 3.21Å; C165-L167 VanDerWaalsContact O-N 3.12Å
166Q30.7Very low32.8Very low186 Ų186141.5 Ų141.587%0.86976%0.758SS**  trans-79.374.5154.5-72.7-168.6-2.300108.5P164 P168P164-Q166 PolarHBondContact O-N 2.91Å; Q166-P168 WeakPolarHBondContact O-CD 3.28Å
167L29.1Very low32.3Very low151 Ų151139.6 Ų139.679%0.79177%0.766SS**  trans-65.1123.3156.3-85.2162.9000106.7C165 S169C165-L167 PolarHBondContact O-N 3.21Å; C165-L167 VanDerWaalsContact O-N 3.12Å; L167-S169 PolarHBondContact O-N 3.46Å
168P29.8Very low31.7Very low101 Ų101141.3 Ų141.366%0.65677%0.769SS**  trans-56.3130.8165.6-19.131.7000107.5Q166 L170Q166-P168 WeakPolarHBondContact O-CD 3.28Å; P168-L170 VanDerWaalsContact C-N 3.29Å; P168-L170 PolarHBondContact O-N 2.76Å
169S32Very low31.5Very low110 Ų110143.7 Ų143.777%0.76979%0.789SS**  trans-64.793.4170.651.60000108.4L167 D171L167-S169 PolarHBondContact O-N 3.46Å; S169-D171 PolarHBondContact O-N 3.19Å
170L30.3Very low31.1Very low156 Ų156144.1 Ų144.182%0.81779%0.79SS**  trans-62.9104.5164.1-96.885.7000107P168 R172P168-L170 VanDerWaalsContact C-N 3.29Å; P168-L170 PolarHBondContact O-N 2.76Å; L170-R172 PolarHBondContact O-N 3.21Å; L170-R172 VanDerWaalsContact O-N 3.07Å
171D29.4Very low30.6Very low141 Ų141145.3 Ų145.375%0.75480%0.796SS**  trans-52.7116.3174-105.7-36.9000109S169 T173S169-D171 PolarHBondContact O-N 3.19Å; D171-T173 PolarHBondContact O-N 3.34Å
172R31.8Very low30.4Very low245 Ų245146.4 Ų146.493%0.92580%0.801SS**SBendtrans-8141.5-169-153.1177.7-173.1-174.12.5111.8L170L170-R172 PolarHBondContact O-N 3.21Å; L170-R172 VanDerWaalsContact O-N 3.07Å
173T33.4Very low30.3Very low112 Ų112145.6 Ų145.669%0.68780%0.797SS**SBendtrans-148.336.9-169.151.60000113.1D171D171-T173 PolarHBondContact O-N 3.34Å
174K30.9Very low30.4Very low203 Ų203145.1 Ų145.188%0.88380%0.8SS**SBendtrans-16760.7165.5-109160.3-167.5-179.70113.9
175C26.7Very low30.3Very low128 Ų128142.4 Ų142.487%0.86580%0.795SS**  trans-159.881158.1-117.30000109.4
176A27.4Very low30.5Very low106 Ų106146.6 Ų146.688%0.87680%0.801SS**  trans-125.663177.400000109.1
177S34.2Very low30.5Very low98 Ų98149.7 Ų149.769%0.68581%0.805SS**SBendtrans-163121.3174.948.60000110
178E29.6Very low30.6Very low176 Ų176150.4 Ų150.482%0.82281%0.809SS**  trans60.981153.8-55.9-174.8144.600119.4
179I31.3Very low30.7Very low173 Ų173149.7 Ų149.789%0.88781%0.811SS**  -130.492.7129.1-58.5-175.5000107.6
180T29.6Very low30.7Very low121 Ų121151.9 Ų151.974%0.74281%0.814SS**  trans-84.6134.6177.9-50.90000110T182T180-T182 PolarHBondContact O-N 3.4Å
181L27.5Very low30.8Very low153 Ų153151.3 Ų151.380%0.80181%0.811SS**  trans-59131.4171.1-79.494.4000111.5
182T30.2Very low31Very low135 Ų135148.7 Ų148.783%0.82881%0.81SS**  trans-125.999.5149.952.30000110.2T180T180-T182 PolarHBondContact O-N 3.4Å
183K33.4Very low31.3Very low192 Ų192142.1 Ų142.184%0.83580%0.801SS**  trans-102.3102.1175.3-175179.7-175.1175.50109.4
184T31.8Very low31.5Very low134 Ų134142.9 Ų142.982%0.82280%0.801SS**  trans-142.3117.1172.248.50000108.4
185G29.1Very low32Very low66 Ų66143 Ų14368%0.6880%0.796SS**  cis95.188.7-0.700000113.8
186K32.3Very low32.6Very low192 Ų192142.5 Ų142.584%0.83579%0.785SS**  trans-174.1115.7137.3-105.1165.4-176.4179.90112.3
187R31.8Very low33.2Very low251 Ų251144.5 Ų144.595%0.94778%0.78SS**  trans-65.7130.5143.9-89.5-179.2167.2-176-3.8106.8
188L30.3Very low33.4Very low165 Ų165144.5 Ų144.586%0.86479%0.786SS**  trans-91.7125170.8-80.6166.4000109.9
189A32.7Very low33.7Very low86 Ų86147.4 Ų147.471%0.71179%0.789SS**  trans-138.7114.6161.700000108.7
190L31.2Very low34.3Very low157 Ų157144.4 Ų144.482%0.82278%0.781SS**  trans69.7120.7152.1-59.1172.9000120.6
191N32.4Very low35.1Very low143 Ų143144.7 Ų144.777%0.76579%0.785SS**  trans96.799.7138.6-58-8.7000121.8
192A34.4Very low35.5Very low87 Ų87143.1 Ų143.172%0.71978%0.782SS**  69.8123.112200000123.6
193S37.4Very low36Very low107 Ų107145.5 Ų145.575%0.74878%0.781SS**  trans58.9143.4149.145.30000119.2
194D38.3Very low36.2Very low128 Ų128143.3 Ų143.368%0.68478%0.779SS**  cis-157.9157.49.2-122.1-39.5000110.2
195R40.4Very low36.6Very low205 Ų205146.7 Ų146.777%0.77479%0.785SS**  trans33.4149.6142.5-67.1171.6-164-138.3-1.9122.5
196D39.3Very low37.2Very low118 Ų118147.3 Ų147.363%0.63178%0.784SS**  cis-165.6153.82.5-110.4-30.7000112.2
197L40.1Very low37.6Very low148 Ų148145.7 Ų145.778%0.77578%0.784SS**  trans50.8112.1145.3-56.4166.8000121.4
198A38.7Very low38Very low98 Ų98142.6 Ų142.681%0.8178%0.781SS**  81.1154.779.900000115.2
199R35.8Very low38.8Very low236 Ų236140.4 Ų140.489%0.89178%0.776SS**  cis-162.8150.99.2-168.3-174.3-176.5-175.12.5111.8
200P44.8Very low39.6Very low110 Ų110141.9 Ų141.971%0.71478%0.778SS**  trans-112.4175.2175.741.3-33.5000115.6
201P45.3Very low40.3Very low127 Ų127140.1 Ų140.183%0.82578%0.777SS**  trans-118.1167.3167.639.4-27.9000115.9
202T35.6Very low40.4Very low120 Ų120142.7 Ų142.774%0.73678%0.781SS**  trans-114.9178.8-170.949.50000113.9
203F40.1Very low40.5Very low185 Ų185144.5 Ų144.581%0.81179%0.785SS**  trans143.5102.6152.6-83.6-69.1000108.4
204D39.3Very low40.4Very low147 Ų147145.7 Ų145.779%0.78679%0.788SS**  68.2106.879.2-78.2-33.1000115.1
205E38.5Very low40Very low204 Ų204145.9 Ų145.995%0.95379%0.794SS**  trans-151.7150.5136.6-148168.7-163.900110
206A43.2Very low39.5Very low80 Ų80143 Ų14366%0.66179%0.791SS**  trans-126166.2-154.300000115.3
207N40.3Very low39.2Very low157 Ų157142.5 Ų142.584%0.8479%0.794SS**  trans65.476.6156.2-62.5-27.8000119
208Q40.9Very low38.9Very low187 Ų187141.4 Ų141.487%0.87480%0.796SS**  trans-135.7134.9137.4-77.1-168.2-10.500110.5
209P46Very low38.5Very low118 Ų118144.3 Ų144.377%0.76680%0.795SS**PPolyproline II helixtrans-75.6140.3172.131.5-32.9000110.3
210P50.3Low38.2Very low117 Ų117141.7 Ų141.776%0.7679%0.79SS**PPolyproline II helixtrans-66.6149.9175.528.2-34000111.3
211P44.8Very low37.4Very low121 Ų121145.6 Ų145.679%0.78680%0.798SS**PPolyproline II helixtrans-68.3154.1-177.428.8-35.2000112.3
212K35.9Very low36.7Very low197 Ų197146.5 Ų146.586%0.85780%0.796SS**PPolyproline II helixtrans-52139.7174.6-88.1179.7172.2177.20111.4T214K212-T214 PolarHBondContact O-N 3.21Å
213P36.1Very low36.3Very low124 Ų124144.3 Ų144.381%0.80580%0.798SS**PPolyproline II helixtrans-59.7127.7164.2-16.929.8000109.5T215P213-T215 PolarHBondContact O-N 3.16Å
214T35.1Very low35.7Very low132 Ų132144.1 Ų144.181%0.8180%0.801SS**PPolyproline II helixtrans-61.8127.1173.9-55.20000109.8K212 M216K212-T214 PolarHBondContact O-N 3.21Å; T214-M216 PolarHBondContact O-N 3.44Å
215T30.1Very low35.1Very low133 Ų133143 Ų14382%0.81680%0.8SS**  trans-58.2109.4171.4-49.40000109.6P213P213-T215 PolarHBondContact O-N 3.16Å
216M29.1Very low34.6Very low145 Ų145139.9 Ų139.971%0.71479%0.794SS**PPolyproline II helixtrans-73143.2169-67.8-144.9-50.400110.1T214T214-M216 PolarHBondContact O-N 3.44Å
217P32.7Very low33.8Very low106 Ų106142 Ų14269%0.68880%0.798SS**PPolyproline II helixtrans-64.5158.8167.8-12.527.6000110.6M219P217-M219 PolarHBondContact O-N 3.44Å
218P34.4Very low33.2Very low125 Ų125140 Ų14081%0.81278%0.779SS**PPolyproline II helixtrans-60.1127.2171.926.8-33.9000109.6K220P218-K220 PolarHBondContact O-N 3.45Å; P218-K220 VanDerWaalsContact O-N 3.11Å
219M29.6Very low32.7Very low160 Ų160136.9 Ų136.979%0.78878%0.778SS**  trans-65.3113.5172.3-73.4-17868.900108.6P217 H221P217-M219 PolarHBondContact O-N 3.44Å; M219-H221 PolarHBondContact O-N 2.88Å
220K29.4Very low32.1Very low181 Ų181136.2 Ų136.279%0.78777%0.772SS**  trans-61.5123.4162.5-71.3-179.6173.5-174.70107.6P218 D222P218-K220 PolarHBondContact O-N 3.45Å; P218-K220 VanDerWaalsContact O-N 3.11Å; K220-D222 VanDerWaalsContact C-N 3.29Å; K220-D222 PolarHBondContact O-N 3.07Å
221H29.6Very low31.3Very low192 Ų192134.1 Ų134.189%0.88977%0.771SS**  trans-7391.3162.7-87.6-81.8000108.2M219M219-H221 PolarHBondContact O-N 2.88Å
222D30.7Very low30.6Very low145 Ų145136.8 Ų136.878%0.77577%0.773SS**  trans-60.7138.5165.4-81.4-36000109.5K220K220-D222 VanDerWaalsContact C-N 3.29Å; K220-D222 PolarHBondContact O-N 3.07Å
223G27.3Very low30.6Very low75 Ų75134.5 Ų134.577%0.77377%0.77SS**  trans-67.5131.8-167.400000113.7
224M26.5Very low30.2Very low180 Ų180136 Ų13689%0.88776%0.764SS**  trans-87.7109166.5-168.9169.4-179.500109.7V226M224-V226 PolarHBondContact O-N 2.84Å
225V26.2Very low30Very low124 Ų124138.9 Ų138.975%0.75277%0.769SS**  trans-70.7115.6175.6177.80000109.6V227V225-V227 HydrophobicContact CG1-CG2 4.08Å
226V27.6Very low30Very low138 Ų138136.6 Ų136.684%0.83676%0.763SS**  trans-85.5118.2170179.50000109.1M224M224-V226 PolarHBondContact O-N 2.84Å
227V28Very low30.2Very low124 Ų124137.9 Ų137.975%0.75277%0.772SS**  trans-93.6141.1-179.6178.70000111.5V225V225-V227 HydrophobicContact CG1-CG2 4.08Å
228R26.7Very low30.2Very low116 Ų116138.5 Ų138.544%0.43878%0.776SS.*  trans-42155.4-176.8-59.7174.9170.5-140.8-2.8116.9N233 F234R228-N233 PolarHBondContact NH1-O 2.89Å; R228-F234 VanDerWaalsContact CZ-CD2 3.44Å; R228-F234 VanDerWaalsContact CZ-CE2 3.48Å; R228-F234 VanDerWaalsContact NH1-CD2 3.27Å; R228-F234 VanDerWaalsContact NH2-CD1 3.34Å
229S29.6Very low30.1Very low122 Ų122137.4 Ų137.485%0.85378%0.778SS**  -144.9105.5115.3-167.90000111.4
230T34.6Very low30.4Very low104 Ų104138.3 Ų138.364%0.63878%0.777SS**  trans-124.5134.1160.852.20000107E232T230-E232 PolarHBondContact O-N 3.02Å
231G32.6Very low30.5Very low72 Ų72136.4 Ų136.474%0.74278%0.776SS**SBendtrans-60129.5176.400000111.1
232E31.3Very low30.7Very low177 Ų177137.4 Ų137.483%0.82778%0.778SS**SBendtrans70.7123.5159.5-55.3-178.717200117.6T230T230-E232 PolarHBondContact O-N 3.02Å
233N34.6Very low30.8Very low149 Ų149137.9 Ų137.980%0.79778%0.781SS**  trans79143.2171.8-56.2-31.1000119.2R228R228-N233 PolarHBondContact NH1-O 2.89Å
234F28.1Very low31Very low155 Ų155141.6 Ų141.668%0.6878%0.782SS**  trans-146.3113.4-165.8-137.3-61.8000107.9R228R228-F234 VanDerWaalsContact CZ-CD2 3.44Å; R228-F234 VanDerWaalsContact CZ-CE2 3.48Å; R228-F234 VanDerWaalsContact NH1-CD2 3.27Å; R228-F234 VanDerWaalsContact NH2-CD1 3.34Å
235E31.9Very low31.3Very low194 Ų194142.4 Ų142.491%0.90778%0.777SS**  trans-140.6143.9159.6-112.7175.5-178.800107
236A29.6Very low31.8Very low84 Ų84145.1 Ų145.169%0.69478%0.781SS**  trans-134.6131.6-172.500000109.7
237L32.3Very low32.1Very low173 Ų173145.1 Ų145.191%0.90677%0.772SS**  trans-128.3147.6170.9-71.3176.1000109.3
238P34.5Very low32.3Very low118 Ų118147.8 Ų147.877%0.76677%0.77SS**  trans-82.6151.3-159.932.4-36.5000113.6
239A31.9Very low32.7Very low102 Ų102148.2 Ų148.284%0.84379%0.79SS**  trans-65.7142172.500000111.9
240K36.5Very low32.7Very low179 Ų179148 Ų14878%0.77878%0.778SS**  trans-137.7122.8161.4-80.5-169.9172.1-173.80109.4
241D31.4Very low32.8Very low141 Ų141149.2 Ų149.275%0.75478%0.78SS**  trans19.5108.3142-36.8-35.4000116.9
242F32.8Very low33Very low213 Ų213152.1 Ų152.193%0.93478%0.778SS**  trans-147.3119.8142.7-87.9-70.7000109.5
243D32.4Very low33Very low156 Ų156153.6 Ų153.683%0.83478%0.778SS**  trans-71.2166.8168.8-61-65.9000111.4
244D31.8Very low33.3Very low152 Ų152153.6 Ų153.681%0.81378%0.778SS**SBendtrans22.9144.8156.8-89.3-27.5000122.2
245Y33Very low33.5Very low197 Ų197154.4 Ų154.477%0.77378%0.784SS**  trans78.9102.9-179.8-75.2-103000117.4
246H36.1Very low33.6Very low181 Ų181153.3 Ų153.384%0.83878%0.783SS**  -149.8111.6127.1-79.3-53.2000107
247E34.4Very low33.6Very low139 Ų139153.9 Ų153.965%0.6578%0.782SS**  77.7105.450.1-156.8179.6-16200112.7
248Y32.6Very low33.7Very low179 Ų179153.8 Ų153.870%0.70278%0.782SS**  trans56.6135.6149.5-74.6-120.5000121.3D250Y248-D250 VanDerWaalsContact CD1-OD2 3.23Å; Y248-D250 WeakPolarHBondContact CD1-OD2 3.39Å; Y248-D250 WeakPolarHBondContact CE1-OD2 3.38Å
249C34.1Very low33.7Very low126 Ų126154.4 Ų154.485%0.85178%0.784SS**  trans-132.873.6146.3-81.50000107.7
250D31.4Very low33.7Very low116 Ų116155.6 Ų155.662%0.6278%0.783SS**  trans-58140.3148.4-82-39.2000107.7Y248Y248-D250 VanDerWaalsContact CD1-OD2 3.23Å; Y248-D250 WeakPolarHBondContact CD1-OD2 3.39Å; Y248-D250 WeakPolarHBondContact CE1-OD2 3.38Å
251I35.5Very low33.7Very low130 Ų130152 Ų15267%0.66779%0.786SS**  trans-116.3103.5167.3-63.3179.8000105.4
252D36.7Very low33.7Very low133 Ų133153.4 Ų153.471%0.71179%0.794SS**  trans-60.4137.5179.8-64.2-56.7000111.4
253Y32.2Very low34Very low209 Ų209149.1 Ų149.182%0.8279%0.79SS**  trans-88103.1165.4-99.1-98.8000107.7
254D39.5Very low34.1Very low149 Ų149150.5 Ų150.580%0.79779%0.791SS**  trans-118.8125.3167.1-95.6-36.4000112.1
255E32.3Very low34.5Very low172 Ų172149.1 Ų149.180%0.80479%0.79SS**  trans-94.6113.6-177.9177.5179.7-16200109
256L35.5Very low34.6Very low171 Ų171143.8 Ų143.890%0.89579%0.787SS**  trans-121.495.5174.6-76.1178.8000112.3
257S28.5Very low34.4Very low96 Ų96140.6 Ų140.667%0.67179%0.786SS**  trans-78126.6165.1-62.20000110.5
258L35.7Very low34.5Very low171 Ų171142.1 Ų142.190%0.89579%0.794SS**  trans-138.8140.5160.6-79.1-179.6000112
259T33Very low34.6Very low131 Ų131138.6 Ų138.680%0.80480%0.796SS**  trans-96.3163.3-167.6420000113.2
260P32.6Very low34.7Very low127 Ų127136.3 Ų136.383%0.82579%0.794SS**  trans-87.9149.3-176.334.8-35000113.2
261A36.3Very low34.9Very low103 Ų103140 Ų14085%0.85181%0.807SS**  trans-144.8128.2167.700000112
262N30.9Very low34.7Very low170 Ų170145.5 Ų145.591%0.90982%0.821SS**  trans-86.2143.4173.4-84.7-32.3000111.5
263S38.7Very low34.9Very low124 Ų124143.6 Ų143.687%0.86782%0.824SS**  trans-159116.3145.348.20000113.7
264H35.5Very low35.1Very low185 Ų185139 Ų13986%0.85682%0.823SS**  trans-82.7163.6156.2-89.9-51.6000108.6
265P39.4Very low35.5Very low122 Ų122138.1 Ų138.179%0.79283%0.825SS**  -157.7158.158.641.5-18.6000121.7
266A34.7Very low35.9Very low86 Ų86139.5 Ų139.571%0.71183%0.829SS**  trans41.9129.613500000125.6
267S32.3Very low36.1Very low114 Ų114139.3 Ų139.380%0.79783%0.828SS**  trans100.2155.3132.7810000120.9
268M37.5Very low37.1Very low170 Ų170140.7 Ų140.784%0.83783%0.834SS**  trans94.988.2-169.2-59.9-66.7-170.500113.6
269S34.5Very low37.4Very low106 Ų106139.1 Ų139.174%0.74183%0.832SS**  91.8121.55572.50000114.4
270G36.4Very low37.4Very low77 Ų77143.8 Ų143.879%0.79484%0.835SS**  trans94.3139.2173.900000114.1
271E35.1Very low38Very low195 Ų195147.4 Ų147.491%0.91184%0.838SS**  cis-157.7143.6-8.2-136.3171.1-160.700108.7
272Y31.6Very low38.2Very low244 Ų244150.9 Ų150.996%0.95784%0.836SS**  trans-80.8120.6-178.9-83.6-96.5000111.4
273A40Very low38.6Very low94 Ų94151 Ų15178%0.77784%0.836SS**  trans-136.2103171.600000111.8
274S38Very low38.6Very low112 Ų112151.7 Ų151.778%0.78383%0.828SS**PPolyproline II helixtrans-64.3136.3174.1-520000111.3K276S274-K276 PolarHBondContact O-N 3.32Å
275P46Very low38.8Very low131 Ų131152.2 Ų152.285%0.85183%0.831SS**PPolyproline II helixtrans-64.8128.8177.2-2032.2000111.6
276K42.4Very low38.6Very low201 Ų201156.8 Ų156.887%0.87483%0.833SS**PPolyproline II helixtrans-76.2132.9174.2-68.9174.3179171.90110.2S274S274-K276 PolarHBondContact O-N 3.32Å
277L39.6Very low38.8Very low167 Ų167160.8 Ų160.887%0.87484%0.842SS**PPolyproline II helixtrans-59.9128.4171.3-77.3156.4000110.8
278P49.9Very low39.4Very low125 Ų125159.5 Ų159.581%0.81283%0.833SS**PPolyproline II helixtrans-68141.5178-21.533.7000113.3
279T40.6Very low39.6Very low138 Ų138156.6 Ų156.685%0.84784%0.836SS**PPolyproline II helixtrans-74.1128.4-174.7-21.40000112.6K281T279-K281 PolarHBondContact O-N 2.94Å
280R33.3Very low40.4Very low229 Ų229156.6 Ų156.686%0.86484%0.835SS**  trans-63.6111.9176.2-171.8-178.5-166.9172.44.9111.5
281K44.4Very low40.7Very low203 Ų203160.2 Ų160.288%0.88384%0.836SS**  trans-107.4134160.8-81.1-172.1175.1-178.60110.1T279T279-K281 PolarHBondContact O-N 2.94Å
282Q41Very low41.3Very low176 Ų176155.8 Ų155.882%0.82282%0.822SS**  trans-86.6133.2174.9-62.2165.6-4200109.4
283L40.7Very low42Very low172 Ų172148.5 Ų148.590%0.90180%0.8SS**  -154.4160.1118.7-157.856.4000109.1
284I37.4Very low42.4Very low138 Ų138148.5 Ų148.571%0.70879%0.785SS**  trans-101.5133.6-164.5-64.2155.6000109.7
285E39.4Very low43.1Very low197 Ų197147.7 Ų147.792%0.92178%0.779SS**  trans-139.2133.2140.5-144.8156.2-141.500107.9
286R35.5Very low43.3Very low218 Ų218147.9 Ų147.982%0.82377%0.772SS**  trans-104.1119.7-179.3-88.2-179.9147.9111.1-5.2107.5
287D38.5Very low43.3Very low170 Ų170145.8 Ų145.891%0.90976%0.759SS**  trans-162.8158.6145.1-104.8-29.2000112.8
288S45.5Very low43.8Very low86 Ų86146 Ų14660%0.60176%0.761SS**  trans57.782173.7-157.30000118.3C290S288-C290 VanDerWaalsContact C-N 3.26Å; S288-C290 PolarHBondContact O-N 3.39Å
289A42.4Very low43.4Very low109 Ų109145.1 Ų145.190%0.90175%0.746SS**THydrogen-bonded Turntrans-80.664.4166.500000112.1
290C50.1Low43.4Very low107 Ų107144.7 Ų144.772%0.72375%0.746SS**THydrogen-bonded Turntrans-141.6-6.9178.7-84.60000115.9S288 V292S288-C290 VanDerWaalsContact C-N 3.26Å; S288-C290 PolarHBondContact O-N 3.39Å; C290-V292 PolarHBondContact O-N 2.96Å; C290-V292 VanDerWaalsContact O-N 3.1Å
291D43.4Very low43.8Very low152 Ų152139.7 Ų139.781%0.81374%0.741SS**  trans-76.5101.8175.1-70.9-34.9000110.3D293D291-D293 PolarHBondContact O-N 3.02Å; D291-D293 VanDerWaalsContact O-N 3.16Å
292V48Very low43.4Very low102 Ų102136.2 Ų136.262%0.61874%0.742SS**  trans-68.2109.51731780000108.2C290 M294 Y297C290-V292 PolarHBondContact O-N 2.96Å; C290-V292 VanDerWaalsContact O-N 3.1Å; V292-M294 VanDerWaalsContact C-N 3.33Å; V292-M294 HydrophobicContact CG1-CG 4.48Å; V292-M294 HydrophobicContact CG1-SD 4.07Å; V292-M294 PolarHBondContact O-N 2.93Å; V292-Y297 HydrophobicContact CG1-CE2 4.34Å
293D45.6Very low43.3Very low92 Ų92132.5 Ų132.549%0.49274%0.736SS.*  trans-6693.7173.3-173.2-7.7000110.1D291 S295 I296D291-D293 PolarHBondContact O-N 3.02Å; D291-D293 VanDerWaalsContact O-N 3.16Å; D293-S295 VanDerWaalsContact CG-OG 3.3Å; D293-S295 PolarHBondContact O-N 3.23Å; D293-S295 VanDerWaalsContact O-N 3.13Å; D293-S295 VanDerWaalsContact OD1-CB 3.26Å; D293-S295 WeakPolarHBondContact OD1-CB 3.48Å; D293-S295 PolarHBondContact OD1-N 3.17Å; D293-S295 PolarHBondContact OD1-OG 2.81Å; D293-S295 PolarHBondContact OD2-OG 2.88Å; D293-I296 HydrophobicContact CB-CD1 3.89Å; D293-I296 HydrophobicContact CB-CG1 4.17Å; D293-I296 PolarHBondContact O-N 3.44Å
294M48.4Very low43.4Very low93 Ų93135.5 Ų135.546%0.45874%0.735SS.*THydrogen-bonded Turntrans-70.50.3-178.7-79.5-58.4-48.100113.8V292 Y297 Q299V292-M294 VanDerWaalsContact C-N 3.33Å; V292-M294 HydrophobicContact CG1-CG 4.48Å; V292-M294 HydrophobicContact CG1-SD 4.07Å; V292-M294 PolarHBondContact O-N 2.93Å; M294-Y297 HydrophobicContact CE-CD2 4.25Å; M294-Y297 HydrophobicContact SD-CD2 4.18Å; M294-Q299 HydrophobicContact CE-CG 4.24Å; M294-Q299 PolarHBondContact O-NE2 3.18Å
295S52.8Low43.9Very low95 Ų95135.4 Ų135.466%0.66474%0.735SS**THydrogen-bonded Turntrans-81.5-12.7173.974.50000114D293D293-S295 VanDerWaalsContact CG-OG 3.3Å; D293-S295 PolarHBondContact O-N 3.23Å; D293-S295 VanDerWaalsContact O-N 3.13Å; D293-S295 VanDerWaalsContact OD1-CB 3.26Å; D293-S295 WeakPolarHBondContact OD1-CB 3.48Å; D293-S295 PolarHBondContact OD1-N 3.17Å; D293-S295 PolarHBondContact OD1-OG 2.81Å; D293-S295 PolarHBondContact OD2-OG 2.88Å
296I50.1Low44.5Very low136 Ų136129.4 Ų129.470%0.69771%0.712SS**SBendtrans-89.9-13.6-177.6-42.1175.1000111.9D293D293-I296 HydrophobicContact CB-CD1 3.89Å; D293-I296 HydrophobicContact CB-CG1 4.17Å; D293-I296 PolarHBondContact O-N 3.44Å
297Y42.7Very low45.8Very low157 Ų157122.1 Ų122.162%0.61669%0.689SS**SBendtrans-89.4139169.5-70.2-81.8000109.8V292 M294 Q299V292-Y297 HydrophobicContact CG1-CE2 4.34Å; M294-Y297 HydrophobicContact CE-CD2 4.25Å; M294-Y297 HydrophobicContact SD-CD2 4.18Å; Y297-Q299 PolarHBondContact O-N 3.04Å
298D50.1Low47Very low171 Ų171116.3 Ų116.391%0.91466%0.658SS**  trans-62.978.4161.5-75.6-41.8000109.1
299Q42.4Very low47.8Very low107 Ų107118.9 Ų118.950%0.566%0.66SS.*  trans-58.3135.8164.8-65.9-169.111.600107.2M294 Y297 T301M294-Q299 HydrophobicContact CE-CG 4.24Å; M294-Q299 PolarHBondContact O-NE2 3.18Å; Y297-Q299 PolarHBondContact O-N 3.04Å; Q299-T301 PolarHBondContact O-N 3.26Å
300P39Very low48.9Very low128 Ų128118.1 Ų118.183%0.83165%0.645SS**  trans-58.3105.9174.124.3-32.5000108.2S302P300-S302 PolarHBondContact O-N 2.97Å
301T41.6Very low49.6Very low124 Ų124113.8 Ų113.876%0.76161%0.614SS**  trans-53.6125.8-170.7-38.50000108.6Q299 S303Q299-T301 PolarHBondContact O-N 3.26Å; T301-S303 VanDerWaalsContact C-N 3.26Å; T301-S303 PolarHBondContact O-N 2.93Å; T301-S303 PolarHBondContact O-OG 3.26Å
302S35.9Very low50.8Low131 Ų131116.2 Ų116.292%0.91662%0.617SS**  trans-52.587.7-168.8-1710000112.6P300P300-S302 PolarHBondContact O-N 2.97Å
303S39.3Very low51.7Low98 Ų98113.1 Ų113.169%0.68560%0.599SS**  trans-117.9115.2170.443.30000102.9T301 L305T301-S303 VanDerWaalsContact C-N 3.26Å; T301-S303 PolarHBondContact O-N 2.93Å; T301-S303 PolarHBondContact O-OG 3.26Å; S303-L305 PolarHBondContact O-N 2.79Å; S303-L305 VanDerWaalsContact O-N 3.13Å
304R43.9Very low52.6Low234 Ų234119.1 Ų119.188%0.88361%0.614SS**  trans-42.6124.1-173.7-72.6173.2169.8165.7-5.2109.1V306R304-V306 PolarHBondContact O-N 3.16Å
305L48.1Very low53.8Low137 Ų137116.3 Ų116.372%0.71760%0.601SS**  trans-50.9106.3171.8-76171.7000107.5S303 D307S303-L305 PolarHBondContact O-N 2.79Å; S303-L305 VanDerWaalsContact O-N 3.13Å; L305-D307 PolarHBondContact O-N 3.44Å
306V50.6Low55.1Low71 Ų71115.2 Ų115.243%0.4359%0.593SS.*  trans-69.2113179.7-178.40000106R158 R304 I311R158-V306 PolarHBondContact NH2-O 2.68Å; R304-V306 PolarHBondContact O-N 3.16Å; V306-I311 HydrophobicContact CG1-CD1 3.84Å; V306-I311 HydrophobicContact CG1-CG1 3.59Å
307D62.9Low56.7Low64 Ų64111.5 Ų111.534%0.34258%0.58SS.*  trans-72.2134.8171-155.1-10.2000108.8R158 L305 E309 T310R158-D307 IonicContact NH1-OD1 2.8Å; R158-D307 PolarHBondContact NH1-OD1 3.47Å; L305-D307 PolarHBondContact O-N 3.44Å; D307-E309 PolarHBondContact O-N 3.45Å; D307-E309 VanDerWaalsContact O-N 3.17Å; D307-T310 HydrophobicContact CB-CG2 4.16Å; D307-T310 PolarHBondContact O-N 2.83Å; D307-T310 PolarHBondContact O-OG1 3.02Å
308I64Low58.8Low49 Ų49106.5 Ų106.525%0.25156%0.559SS.*G310 helixtrans-63.3-27.2-176.3-161.6165.3000110.7T310 I311 L389 Q391I308-T310 VanDerWaalsContact C-N 3.3Å; I308-T310 PolarHBondContact O-N 3.01Å; I308-I311 HydrophobicContact CG1-CD1 4.3Å; I308-I311 WeakPolarHBondContact O-CB 3.38Å; I308-I311 PolarHBondContact O-N 3.24Å; I308-L389 HydrophobicContact CD1-CD1 3.99Å; I308-L389 HydrophobicContact CD1-CD2 4.11Å; I308-Q391 PolarHBondContact O-NE2 2.8Å
309E62.7Low60.6Low139 Ų13999.2 Ų99.265%0.6552%0.521SS*.G310 helixtrans-67.6-24.5173-60.1-174.1-177.200113.6D307 I311D307-E309 PolarHBondContact O-N 3.45Å; D307-E309 VanDerWaalsContact O-N 3.17Å; E309-I311 VanDerWaalsContact C-N 3.32Å
310T64.8Low62.9Low94 Ų9497.2 Ų97.258%0.57751%0.513SS*.G310 helixtrans-81.6-12.2175.162.30000113D307 I308 K312D307-T310 HydrophobicContact CB-CG2 4.16Å; D307-T310 PolarHBondContact O-N 2.83Å; D307-T310 PolarHBondContact O-OG1 3.02Å; I308-T310 VanDerWaalsContact C-N 3.3Å; I308-T310 PolarHBondContact O-N 3.01Å; T310-K312 PolarHBondContact O-N 2.68Å
311I66.3Low65.4Low15 Ų1592 Ų928%0.07748%0.479CS..  trans-80.187.2177.9-50.8176.8000109.6V306 I308 E309 V313 H377 L379 I380 Q391V306-I311 HydrophobicContact CG1-CD1 3.84Å; V306-I311 HydrophobicContact CG1-CG1 3.59Å; I308-I311 HydrophobicContact CG1-CD1 4.3Å; I308-I311 WeakPolarHBondContact O-CB 3.38Å; I308-I311 PolarHBondContact O-N 3.24Å; E309-I311 VanDerWaalsContact C-N 3.32Å; I311-V313 VanDerWaalsContact C-N 3.26Å; I311-V313 HydrophobicContact CG2-CG2 3.99Å; I311-V313 PolarHBondContact O-N 3.13Å; I311-H377 HydrophobicContact CG2-CB 4.28Å; I311-L379 HydrophobicContact CD1-CB 4.19Å; I311-L379 HydrophobicContact CD1-CD1 4.15Å; I311-I380 HydrophobicContact CG2-CD1 3.79Å; I311-I380 HydrophobicContact CG2-CG1 4.42Å; I311-Q391 PolarHBondContact O-NE2 3.22Å
312K66.8Low67.6Low203 Ų20394 Ų9488%0.88348%0.477SS*.  trans-7570.7176.6-65.3-173.4178.7-175.70112.4T310T310-K312 PolarHBondContact O-N 2.68Å
313V67.7Low70.1Confident37 Ų3791 Ų9122%0.22446%0.46CS..  trans-94.3110.5164.7170.80000108.3I311 L315 H377 I380I311-V313 VanDerWaalsContact C-N 3.26Å; I311-V313 HydrophobicContact CG2-CG2 3.99Å; I311-V313 PolarHBondContact O-N 3.13Å; V313-L315 HydrophobicContact CG1-CD2 3.66Å; V313-L315 HydrophobicContact CG1-CG 4.25Å; V313-H377 HydrophobicContact CG2-CB 4.13Å; V313-I380 HydrophobicContact CB-CD1 3.59Å; V313-I380 HydrophobicContact CG1-CD1 4.17Å; V313-I380 HydrophobicContact CG2-CD1 3.71Å
314R64.4Low72.7Confident218 Ų21887.9 Ų87.982%0.82343%0.434SS*.  trans-92.6109.2171.9-167.8177-166.6173.94.3108.4
315L74.9Confident74.9Confident35 Ų3585.3 Ų85.318%0.18343%0.429CS..PPolyproline II helixtrans-77141.2173.7-57.8178000109.3V313 F376 L386 A394V313-L315 HydrophobicContact CG1-CD2 3.66Å; V313-L315 HydrophobicContact CG1-CG 4.25Å; L315-F376 HydrophobicContact CD1-CE1 4.01Å; L315-F376 HydrophobicContact CD2-CD1 4.14Å; L315-F376 HydrophobicContact CD2-CE1 3.5Å; L315-F376 HydrophobicContact CD2-CZ 4.19Å; L315-F376 HydrophobicContact CG-CE1 4.43Å; L315-L386 HydrophobicContact CD1-CD1 4.16Å; L315-L386 HydrophobicContact CD1-CD2 3.62Å; L315-L386 HydrophobicContact CD1-CG 4.44Å; L315-A394 HydrophobicContact CB-CB 4.23Å; L315-A394 VanDerWaalsContact O-CB 3.3Å; L315-A394 WeakPolarHBondContact O-CB 3.3Å
316S78.4Confident76.8Confident71 Ų7180 Ų8050%0.49740%0.403SS..PPolyproline II helixtrans-78.1156.5170430000110.6
317S84.6Confident78.6Confident59 Ų5982 Ų8241%0.41342%0.42SS..PPolyproline II helixtrans-59.6138.2170174.70000110.2I319 D398S317-I319 PolarHBondContact OG-N 3.26Å; S317-I319 VanDerWaalsContact OG-N 3.1Å; S317-I319 PolarHBondContact OG-O 3.02Å; S317-D398 WeakPolarHBondContact CA-OD2 3.48Å; S317-D398 VanDerWaalsContact CB-OD1 3.27Å; S317-D398 WeakPolarHBondContact CB-OD1 3.5Å; S317-D398 PolarHBondContact OG-OD1 3.22Å
318R85.7Confident79.9Confident51 Ų5181.3 Ų81.319%0.19241%0.413CS..SBendtrans-76.9-12.1172.5-62.8179.6177.8-166.1-8.7112.2L367 L368 S370 N371 D398R318-L367 HydrophobicContact CB-CD1 3.75Å; R318-L367 VanDerWaalsContact CD-O 3.28Å; R318-L367 WeakPolarHBondContact CD-O 3.32Å; R318-L367 PolarHBondContact NH1-O 2.88Å; R318-L368 PolarHBondContact NH1-O 2.97Å; R318-S370 PolarHBondContact NE-O 3.35Å; R318-S370 PolarHBondContact NH1-O 2.89Å; R318-S370 PolarHBondContact NH2-O 2.68Å; R318-N371 PolarHBondContact NH2-OD1 3.05Å; R318-N371 VanDerWaalsContact NH2-OD1 3.11Å; R318-D398 WeakPolarHBondContact CB-OD2 3.38Å; R318-D398 PolarHBondContact N-OD2 3.5Å
319I88.8Confident81.2Confident19 Ų1979.6 Ų79.610%0.09740%0.404CS..  trans-101.4115.7-177.1-59.4171.3000109.2S317 V321 L367 D398 E401 T586 E587 I590S317-I319 PolarHBondContact OG-N 3.26Å; S317-I319 VanDerWaalsContact OG-N 3.1Å; S317-I319 PolarHBondContact OG-O 3.02Å; I319-V321 HydrophobicContact CG2-CG2 3.98Å; I319-L367 HydrophobicContact CG1-CD1 4.2Å; I319-D398 HydrophobicContact CD1-CB 3.88Å; I319-D398 WeakPolarHBondContact CD1-O 3.19Å; I319-D398 HydrophobicContact CG1-CB 4.27Å; I319-E401 HydrophobicContact CD1-CB 4.14Å; I319-E401 HydrophobicContact CD1-CG 4.22Å; I319-T586 HydrophobicContact CD1-CG2 3.86Å; I319-T586 HydrophobicContact CG2-CG2 4.48Å; I319-E587 VanDerWaalsContact CA-OE1 3.32Å; I319-E587 WeakPolarHBondContact CA-OE1 3.49Å; I319-E587 HydrophobicContact CG2-CG 3.76Å; I319-I590 HydrophobicContact CG2-CD1 4.31Å
320N90.3Very high82.6Confident64 Ų6475 Ų7534%0.34239%0.386SS..  trans-12175.3-178.7-165.6-19.8000113.5K322 A323 Y324 E587N320-K322 PolarHBondContact O-N 3.23Å; N320-K322 PolarHBondContact OD1-N 2.95Å; N320-A323 HydrophobicContact CB-CB 4.38Å; N320-A323 PolarHBondContact O-N 2.65Å; N320-A323 PolarHBondContact OD1-N 3.38Å; N320-Y324 WeakPolarHBondContact O-CB 3.47Å; N320-Y324 PolarHBondContact O-N 3.42Å; N320-E587 PolarHBondContact N-OE1 3.24Å
321V91.1Very high83.8Confident19 Ų1977.9 Ų77.912%0.11540%0.398CS..THydrogen-bonded Turntrans-56-33.2179-169.10000113I319 E587 I590 K591 L600I319-V321 HydrophobicContact CG2-CG2 3.98Å; V321-E587 HydrophobicContact CG2-CG 4.18Å; V321-I590 HydrophobicContact CG1-CG2 3.97Å; V321-I590 HydrophobicContact CG2-CB 4.45Å; V321-I590 HydrophobicContact CG2-CD1 3.71Å; V321-I590 HydrophobicContact CG2-CG2 4.22Å; V321-K591 HydrophobicContact CG1-CG 4.09Å; V321-K591 WeakPolarHBondContact O-CE 3.19Å; V321-K591 PolarHBondContact O-NZ 3.11Å; V321-L600 HydrophobicContact CG1-CD2 4.38Å
322K89.1Confident85Confident166 Ų16681.6 Ų81.672%0.72242%0.418SS*.THydrogen-bonded Turntrans-67.1-49.8178.8-72.4-177.3178.81800111.5N320 L600N320-K322 PolarHBondContact O-N 3.23Å; N320-K322 PolarHBondContact OD1-N 2.95Å; K322-L600 HydrophobicContact CG-CD1 4.31Å; K322-L600 HydrophobicContact CG-CD2 3.49Å; K322-L600 VanDerWaalsContact CG-CD2 3.49Å
323A89Confident86.2Confident68 Ų6872.2 Ų72.256%0.56238%0.378SS*.THydrogen-bonded Turntrans-78.2-19.4-178.300000113.7N320 K325N320-A323 HydrophobicContact CB-CB 4.38Å; N320-A323 PolarHBondContact O-N 2.65Å; N320-A323 PolarHBondContact OD1-N 3.38Å; A323-K325 PolarHBondContact O-N 3.01Å
324Y91.9Very high87.4Confident32 Ų3276.8 Ų76.813%0.12540%0.395CS..  trans-59.9131-176.1-171.9-106000113.6N320 E582 E585 E587 F588 K591N320-Y324 WeakPolarHBondContact O-CB 3.47Å; N320-Y324 PolarHBondContact O-N 3.42Å; Y324-E582 WeakPolarHBondContact OH-CG 3.26Å; Y324-E585 WeakPolarHBondContact CE2-OE2 3.24Å; Y324-E585 VanDerWaalsContact CZ-OE2 3.3Å; Y324-E585 PolarHBondContact OH-OE2 3.31Å; Y324-E587 HydrophobicContact CD1-CB 3.71Å; Y324-E587 HydrophobicContact CD2-CB 3.55Å; Y324-E587 HydrophobicContact CD2-CG 4.1Å; Y324-E587 HydrophobicContact CE1-CB 4.22Å; Y324-E587 HydrophobicContact CE2-CB 4.08Å; Y324-E587 HydrophobicContact CG-CB 3.34Å; Y324-E587 HydrophobicContact CG-CG 4.1Å; Y324-F588 HydrophobicContact CE1-CB 3.99Å; Y324-F588 HydrophobicContact CE1-CD2 4.39Å; Y324-K591 HydrophobicContact CD1-CD 4.25Å; Y324-K591 PolarHBondContact O-NZ 2.91Å
325K90Very high88.7Confident180 Ų18070.3 Ų70.378%0.78338%0.381SS*.  trans-124.7135.3173.6-65.5-174.1179.8-175.80109.2A323A323-K325 PolarHBondContact O-N 3.01Å
326S90.1Very high89.1Confident26 Ų2671.3 Ų71.318%0.18239%0.386CS..  trans-119.3146.2179.7171.80000109.8R328 L329 E582S326-R328 VanDerWaalsContact C-N 3.28Å; S326-R328 PolarHBondContact OG-N 3.05Å; S326-L329 PolarHBondContact OG-N 2.94Å; S326-E582 WeakPolarHBondContact CA-OE1 3.12Å; S326-E582 WeakPolarHBondContact CB-OE1 3.5Å; S326-E582 PolarHBondContact OG-OE1 3.22Å
327S88.4Confident89.7Confident112 Ų11268.4 Ų68.478%0.78336%0.364SS*.SBendtrans-79.5-15.9171.169.30000112.8E582S327-E582 PolarHBondContact N-OE1 3.04Å; S327-E582 VanDerWaalsContact N-OE1 3.11Å
328R89.4Confident90Very high51 Ų5170.4 Ų70.419%0.19238%0.379CS..SBendtrans-108.5-18.6-170.1-58.2-174.962.1150.112.6114S326 D347 A579 E582 F588S326-R328 VanDerWaalsContact C-N 3.28Å; S326-R328 PolarHBondContact OG-N 3.05Å; R328-D347 IonicContact CZ-OD2 2.71Å; R328-D347 IonicContact NH1-OD2 3.45Å; R328-D347 PolarHBondContact NH1-OD2 3.21Å; R328-D347 VanDerWaalsContact NH2-CG 3.32Å; R328-D347 IonicContact NH2-OD1 3.68Å; R328-D347 IonicContact NH2-OD2 2.75Å; R328-D347 PolarHBondContact NH2-OD2 3.16Å; R328-A579 PolarHBondContact NH1-O 2.89Å; R328-E582 VanDerWaalsContact CD-OE2 3.27Å; R328-E582 WeakPolarHBondContact CD-OE2 3.47Å; R328-E582 WeakPolarHBondContact CG-OE2 3.38Å; R328-F588 HydrophobicContact CB-CE2 4.11Å
329L91.7Very high90.3Very high12 Ų1273.8 Ų73.86%0.06339%0.391CS..SBendtrans-103.2126.7174.6-55.7178.8000109.4S326 V333 V340 F588 K591 A592S326-L329 PolarHBondContact OG-N 2.94Å; L329-V333 HydrophobicContact CB-CG1 4.42Å; L329-V340 HydrophobicContact CD2-CG1 3.59Å; L329-V340 HydrophobicContact CD2-CG2 4.19Å; L329-F588 HydrophobicContact CD1-CD2 3.77Å; L329-F588 HydrophobicContact CD1-CE2 3.81Å; L329-F588 HydrophobicContact CD1-CG 4.3Å; L329-F588 HydrophobicContact CD1-CZ 4.35Å; L329-F588 HydrophobicContact CD2-CE2 3.88Å; L329-F588 HydrophobicContact CD2-CZ 3.85Å; L329-F588 HydrophobicContact CG-CD2 4.02Å; L329-F588 HydrophobicContact CG-CE2 3.55Å; L329-F588 HydrophobicContact CG-CZ 4.06Å; L329-K591 HydrophobicContact CD1-CB 3.55Å; L329-A592 HydrophobicContact CD2-CB 4.3Å
330P92Very high90.5Very high42 Ų4273.2 Ų73.227%0.27339%0.389SS..  trans-67.5149.8171.929.1-33.5000110.6D332 V333P330-D332 PolarHBondContact O-N 2.95Å; P330-D332 VanDerWaalsContact O-N 3.07Å; P330-V333 HydrophobicContact CG-CB 4.04Å; P330-V333 WeakPolarHBondContact O-CB 3.41Å; P330-V333 WeakPolarHBondContact O-CG1 3.47Å; P330-V333 PolarHBondContact O-N 3.28Å
331D88.9Confident90.6Very high155 Ų15570.5 Ų70.583%0.82937%0.374SS*.THydrogen-bonded Turntrans-58.3-25.4179.2-67.5-46.7000113.1A596D331-A596 VanDerWaalsContact O-CB 3.26Å; D331-A596 WeakPolarHBondContact O-CB 3.33Å
332D91.8Very high90.7Very high94 Ų9472.2 Ų72.250%0.50339%0.385SS..THydrogen-bonded Turntrans-93.513.2177.386.5-34.3000114.3P330 K334 R339P330-D332 PolarHBondContact O-N 2.95Å; P330-D332 VanDerWaalsContact O-N 3.07Å; D332-K334 PolarHBondContact O-N 3.21Å; D332-R339 IonicContact OD1-CZ 3.05Å; D332-R339 IonicContact OD1-NH1 2.71Å; D332-R339 PolarHBondContact OD1-NH1 3.04Å; D332-R339 IonicContact OD1-NH2 3.58Å; D332-R339 PolarHBondContact OD1-NH2 3.11Å; D332-R339 IonicContact OD2-NH1 2.69Å; D332-R339 IonicContact OD2-NH2 3.93Å
333V93.1Very high90.9Very high6 Ų667.6 Ų67.64%0.03637%0.371CS..PPolyproline II helixtrans-48.9124.7-174.159.50000112L329 P330 D337 V340 G595 A596L329-V333 HydrophobicContact CB-CG1 4.42Å; P330-V333 HydrophobicContact CG-CB 4.04Å; P330-V333 WeakPolarHBondContact O-CB 3.41Å; P330-V333 WeakPolarHBondContact O-CG1 3.47Å; P330-V333 PolarHBondContact O-N 3.28Å; V333-D337 HydrophobicContact CG2-CB 3.98Å; V333-V340 HydrophobicContact CG2-CG2 4.3Å; V333-G595 CarbonylContact O-C 3.08Å; V333-G595 WeakPolarHBondContact O-CA 3.4Å; V333-A596 HydrophobicContact CG1-CB 4.12Å; V333-A596 PolarHBondContact O-N 3.14Å
334K92.8Very high91.1Very high132 Ų13264.5 Ų64.557%0.57435%0.345SS*.PPolyproline II helixtrans-86.5158.4177.8-66.2179.1-176.6174.20110.5D332 M336 D337D332-K334 PolarHBondContact O-N 3.21Å; K334-M336 PolarHBondContact O-N 3.26Å; K334-D337 HydrophobicContact CB-CB 4.44Å; K334-D337 PolarHBondContact N-OD2 2.76Å; K334-D337 PolarHBondContact O-N 3.47Å
335P90.3Very high91.2Very high83 Ų8364 Ų6454%0.53934%0.343SS..THydrogen-bonded Turntrans-51.1128.8166-17.526000109.4D337 L593 W594P335-D337 VanDerWaalsContact C-N 3.32Å; P335-D337 PolarHBondContact O-N 3.29Å; P335-L593 WeakPolarHBondContact CA-O 3.33Å; P335-W594 WeakPolarHBondContact CG-O 3.46Å
336M85Confident91.4Very high56 Ų5660.9 Ų60.928%0.27633%0.329SS..THydrogen-bonded Turntrans51.642.2-179.2-60.3170.83600115.4K334 S338 M412 L593 L613 L617K334-M336 PolarHBondContact O-N 3.26Å; M336-S338 PolarHBondContact O-N 3.1Å; M336-M412 HydrophobicContact CE-CE 3.55Å; M336-M412 HydrophobicContact CG-CE 3.81Å; M336-M412 HydrophobicContact CG-SD 4.39Å; M336-M412 HydrophobicContact SD-CE 3.5Å; M336-M412 VanDerWaalsContact SD-CE 3.5Å; M336-M412 HydrophobicContact SD-SD 3.83Å; M336-L593 PolarHBondContact N-O 3.13Å; M336-L613 HydrophobicContact CE-CD2 4.12Å; M336-L613 HydrophobicContact SD-CD1 4.15Å; M336-L613 HydrophobicContact SD-CD2 3.38Å; M336-L613 WeakPolarHBondContact SD-CD2 3.44Å; M336-L613 HydrophobicContact SD-CG 4.45Å; M336-L617 HydrophobicContact CE-CD1 3.95Å
337D90.3Very high91.6Very high9 Ų961.3 Ų61.35%0.04833%0.329CS..  trans-55.3123.1-175-153.8-55.9000113.5V333 K334 P335 R339 V340 W341V333-D337 HydrophobicContact CG2-CB 3.98Å; K334-D337 HydrophobicContact CB-CB 4.44Å; K334-D337 PolarHBondContact N-OD2 2.76Å; K334-D337 PolarHBondContact O-N 3.47Å; P335-D337 VanDerWaalsContact C-N 3.32Å; P335-D337 PolarHBondContact O-N 3.29Å; D337-R339 PolarHBondContact O-N 2.9Å; D337-R339 VanDerWaalsContact OD1-CB 3.24Å; D337-R339 WeakPolarHBondContact OD1-CB 3.41Å; D337-R339 VanDerWaalsContact OD1-CG 3.27Å; D337-R339 WeakPolarHBondContact OD1-CG 3.14Å; D337-R339 IonicContact OD1-CZ 2.87Å; D337-R339 PolarHBondContact OD1-N 3.01Å; D337-R339 IonicContact OD1-NE 3.25Å; D337-R339 PolarHBondContact OD1-NE 3.3Å; D337-R339 IonicContact OD1-NH2 3.64Å; D337-R339 IonicContact OD2-CZ 3.23Å; D337-R339 IonicContact OD2-NE 3.12Å; D337-R339 PolarHBondContact OD2-NE 3Å; D337-R339 IonicContact OD2-NH2 2.82Å; D337-R339 PolarHBondContact OD2-NH2 2.83Å; D337-V340 HydrophobicContact CB-CB 4.24Å; D337-V340 HydrophobicContact CB-CG2 4.04Å; D337-V340 PolarHBondContact O-N 3.08Å; D337-W341 PolarHBondContact O-N 2.99Å; D337-W341 VanDerWaalsContact O-N 3.14Å
338S89.9Confident92Very high102 Ų10256 Ų5671%0.71329%0.292SS*.THydrogen-bonded Turntrans-66.6-15.1-18058.80000113.5M336 V340 P342M336-S338 PolarHBondContact O-N 3.1Å; S338-V340 VanDerWaalsContact C-N 3.34Å; S338-P342 WeakPolarHBondContact O-CD 3.34Å; S338-P342 WeakPolarHBondContact O-CG 3.45Å
339R91.8Very high92.2Very high121 Ų12155.8 Ų55.846%0.45730%0.295SS..THydrogen-bonded Turntrans-73.6-26.4170.4-59.1174.7-70.5171.41.1112.5D332 D337D332-R339 IonicContact OD1-CZ 3.05Å; D332-R339 IonicContact OD1-NH1 2.71Å; D332-R339 PolarHBondContact OD1-NH1 3.04Å; D332-R339 IonicContact OD1-NH2 3.58Å; D332-R339 PolarHBondContact OD1-NH2 3.11Å; D332-R339 IonicContact OD2-NH1 2.69Å; D332-R339 IonicContact OD2-NH2 3.93Å; D337-R339 PolarHBondContact O-N 2.9Å; D337-R339 VanDerWaalsContact OD1-CB 3.24Å; D337-R339 WeakPolarHBondContact OD1-CB 3.41Å; D337-R339 VanDerWaalsContact OD1-CG 3.27Å; D337-R339 WeakPolarHBondContact OD1-CG 3.14Å; D337-R339 IonicContact OD1-CZ 2.87Å; D337-R339 PolarHBondContact OD1-N 3.01Å; D337-R339 IonicContact OD1-NE 3.25Å; D337-R339 PolarHBondContact OD1-NE 3.3Å; D337-R339 IonicContact OD1-NH2 3.64Å; D337-R339 IonicContact OD2-CZ 3.23Å; D337-R339 IonicContact OD2-NE 3.12Å; D337-R339 PolarHBondContact OD2-NE 3Å; D337-R339 IonicContact OD2-NH2 2.82Å; D337-R339 PolarHBondContact OD2-NH2 2.83Å
340V92.9Very high92.4Very high7 Ų761.4 Ų61.44%0.04232%0.321CS..THydrogen-bonded Turntrans-100.9-55.6-168.5173.30000111.1L329 V333 D337 S338 T343 L344L329-V340 HydrophobicContact CD2-CG1 3.59Å; L329-V340 HydrophobicContact CD2-CG2 4.19Å; V333-V340 HydrophobicContact CG2-CG2 4.3Å; D337-V340 HydrophobicContact CB-CB 4.24Å; D337-V340 HydrophobicContact CB-CG2 4.04Å; D337-V340 PolarHBondContact O-N 3.08Å; S338-V340 VanDerWaalsContact C-N 3.34Å; V340-T343 WeakPolarHBondContact O-CB 3.46Å; V340-T343 PolarHBondContact O-N 2.86Å; V340-L344 HydrophobicContact CG1-CD1 3.68Å; V340-L344 HydrophobicContact CG1-CD2 4.13Å; V340-L344 HydrophobicContact CG1-CG 3.74Å; V340-L344 WeakPolarHBondContact O-CG 3.33Å; V340-L344 PolarHBondContact O-N 2.71Å
341W93.4Very high92.5Very high7 Ų759.8 Ų59.83%0.02731%0.311CS..Hα-helixtrans-59.2-37.9-169.1-80.389.6000116D337 T343 L344 R345 F409 M412 A592 L593D337-W341 PolarHBondContact O-N 2.99Å; D337-W341 VanDerWaalsContact O-N 3.14Å; W341-T343 VanDerWaalsContact C-N 3.31Å; W341-T343 PolarHBondContact O-N 3.24Å; W341-L344 PolarHBondContact O-N 3.24Å; W341-R345 WeakPolarHBondContact O-CB 3.44Å; W341-R345 WeakPolarHBondContact O-CG 3.37Å; W341-R345 PolarHBondContact O-N 3.43Å; W341-F409 AromaticContact CH2-CD2 3.78Å; W341-F409 HydrophobicContact CH2-CD2 3.78Å; W341-F409 AromaticContact CH2-CE2 3.91Å; W341-F409 HydrophobicContact CH2-CE2 3.91Å; W341-F409 HydrophobicContact CZ3-CD2 4.5Å; W341-F409 HydrophobicContact CZ3-CE2 4.32Å; W341-M412 HydrophobicContact CH2-CB 3.6Å; W341-M412 HydrophobicContact CZ2-CB 4.07Å; W341-M412 HydrophobicContact CZ3-CB 3.99Å; W341-A592 HydrophobicContact CZ2-CB 4.34Å; W341-A592 PolarHBondContact NE1-O 3.47Å; W341-L593 HydrophobicContact CH2-CD2 4.07Å; W341-L593 HydrophobicContact CZ2-CD2 3.81Å; W341-L593 HydrophobicContact CZ2-CG 4.44Å
342P93.3Very high92.7Very high55 Ų5557 Ų5736%0.35730%0.296SS..Hα-helixtrans-60.4-39.9174.1-25.136000112.8S338 R345 K346S338-P342 WeakPolarHBondContact O-CD 3.34Å; S338-P342 WeakPolarHBondContact O-CG 3.45Å; P342-R345 PolarHBondContact O-N 3.47Å; P342-K346 WeakPolarHBondContact O-CB 3.49Å; P342-K346 PolarHBondContact O-N 2.91Å
343T92.8Very high92.9Very high70 Ų7053.1 Ų53.143%0.42928%0.277SS..Hα-helixtrans-68.1-42.5176.5-47.40000111V340 W341 K346 D347V340-T343 WeakPolarHBondContact O-CB 3.46Å; V340-T343 PolarHBondContact O-N 2.86Å; W341-T343 VanDerWaalsContact C-N 3.31Å; W341-T343 PolarHBondContact O-N 3.24Å; T343-K346 WeakPolarHBondContact O-CB 3.47Å; T343-K346 PolarHBondContact O-N 2.82Å; T343-D347 PolarHBondContact O-N 3.25Å; T343-D347 VanDerWaalsContact O-N 3.14Å; T343-D347 VanDerWaalsContact O-OD1 3.1Å
344L93.8Very high93Very high2 Ų254.9 Ų54.91%0.0129%0.289CS..Hα-helixtrans-63.2-43.6175.7-55.2-167.2000111.8V340 W341 K346 D347 L348 F409 L583 F588 A592V340-L344 HydrophobicContact CG1-CD1 3.68Å; V340-L344 HydrophobicContact CG1-CD2 4.13Å; V340-L344 HydrophobicContact CG1-CG 3.74Å; V340-L344 WeakPolarHBondContact O-CG 3.33Å; V340-L344 PolarHBondContact O-N 2.71Å; W341-L344 PolarHBondContact O-N 3.24Å; L344-K346 VanDerWaalsContact C-N 3.33Å; L344-K346 PolarHBondContact O-N 3.12Å; L344-D347 PolarHBondContact O-N 3.48Å; L344-L348 WeakPolarHBondContact O-CB 3.38Å; L344-L348 VanDerWaalsContact O-CG 3.25Å; L344-L348 WeakPolarHBondContact O-CG 3.46Å; L344-L348 PolarHBondContact O-N 3.2Å; L344-F409 HydrophobicContact CD1-CE2 4.32Å; L344-L583 HydrophobicContact CD2-CD2 3.74Å; L344-F588 HydrophobicContact CD1-CE1 3.98Å; L344-F588 HydrophobicContact CD1-CZ 4.19Å; L344-F588 HydrophobicContact CD2-CE1 4.37Å; L344-F588 HydrophobicContact CD2-CZ 3.93Å; L344-A592 HydrophobicContact CD1-CB 4.35Å
345R94.5Very high93.1Very high21 Ų2150.7 Ų50.78%0.07927%0.272CS..Hα-helixtrans-60.6-41.6176.4-76.6-170.1-82.9125.9-15.7111.8W341 P342 L348 L349 S413 S416 D418 M426W341-R345 WeakPolarHBondContact O-CB 3.44Å; W341-R345 WeakPolarHBondContact O-CG 3.37Å; W341-R345 PolarHBondContact O-N 3.43Å; P342-R345 PolarHBondContact O-N 3.47Å; R345-L348 PolarHBondContact O-N 3.18Å; R345-L349 WeakPolarHBondContact O-CB 3.21Å; R345-L349 VanDerWaalsContact O-CG 3.28Å; R345-L349 WeakPolarHBondContact O-CG 3.34Å; R345-L349 PolarHBondContact O-N 3.19Å; R345-S413 WeakPolarHBondContact CD-O 3.3Å; R345-S416 VanDerWaalsContact CZ-O 3.27Å; R345-S416 PolarHBondContact NE-O 3.27Å; R345-S416 PolarHBondContact NH2-O 3.1Å; R345-D418 IonicContact CZ-OD2 2.74Å; R345-D418 VanDerWaalsContact CZ-OD2 3.23Å; R345-D418 IonicContact NH1-OD2 3.61Å; R345-D418 PolarHBondContact NH1-OD2 3.23Å; R345-D418 IonicContact NH2-OD1 3.7Å; R345-D418 IonicContact NH2-OD2 2.72Å; R345-D418 PolarHBondContact NH2-OD2 3.11Å; R345-M426 HydrophobicContact CB-CE 4.09Å; R345-M426 HydrophobicContact CG-CE 4.03Å
346K93.9Very high93.3Very high116 Ų11646.7 Ų46.750%0.50425%0.246SC..Hα-helixtrans-57.4-55.3175.9-176.8-172.3170.3-168.80110.8P342 T343 L344 L348 L349 E350P342-K346 WeakPolarHBondContact O-CB 3.49Å; P342-K346 PolarHBondContact O-N 2.91Å; T343-K346 WeakPolarHBondContact O-CB 3.47Å; T343-K346 PolarHBondContact O-N 2.82Å; L344-K346 VanDerWaalsContact C-N 3.33Å; L344-K346 PolarHBondContact O-N 3.12Å; K346-L348 VanDerWaalsContact C-N 3.34Å; K346-L348 PolarHBondContact O-N 3.47Å; K346-L349 PolarHBondContact O-N 2.69Å; K346-L349 VanDerWaalsContact O-N 3.09Å; K346-E350 WeakPolarHBondContact CE-OE1 3.3Å; K346-E350 WeakPolarHBondContact CE-OE2 3.49Å; K346-E350 HydrophobicContact CG-CG 4.38Å; K346-E350 IonicContact NZ-OE1 3.71Å; K346-E350 WeakPolarHBondContact O-CG 3.32Å; K346-E350 PolarHBondContact O-N 2.85Å
347D93.9Very high93.9Very high34 Ų3444 Ų4418%0.18223%0.233CC..Hα-helixtrans-59.7-41.2-179.4-72.734.5000112.8R328 T343 L344 L349 E350 A351 L580 L583R328-D347 IonicContact CZ-OD2 2.71Å; R328-D347 IonicContact NH1-OD2 3.45Å; R328-D347 PolarHBondContact NH1-OD2 3.21Å; R328-D347 VanDerWaalsContact NH2-CG 3.32Å; R328-D347 IonicContact NH2-OD1 3.68Å; R328-D347 IonicContact NH2-OD2 2.75Å; R328-D347 PolarHBondContact NH2-OD2 3.16Å; T343-D347 PolarHBondContact O-N 3.25Å; T343-D347 VanDerWaalsContact O-N 3.14Å; T343-D347 VanDerWaalsContact O-OD1 3.1Å; L344-D347 PolarHBondContact O-N 3.48Å; D347-L349 VanDerWaalsContact C-N 3.31Å; D347-L349 PolarHBondContact O-N 3.32Å; D347-E350 PolarHBondContact O-N 3.42Å; D347-A351 VanDerWaalsContact O-CB 3.29Å; D347-A351 WeakPolarHBondContact O-CB 3.21Å; D347-A351 PolarHBondContact O-N 3.36Å; D347-L580 HydrophobicContact CB-CD2 4.09Å; D347-L583 HydrophobicContact CB-CD1 4.4Å
348L95.6Very high94.1Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-65-32.3176.1-71.3170.1000112.8L344 R345 K346 L356 F409 M426 K429 W430 L583 F584L344-L348 WeakPolarHBondContact O-CB 3.38Å; L344-L348 VanDerWaalsContact O-CG 3.25Å; L344-L348 WeakPolarHBondContact O-CG 3.46Å; L344-L348 PolarHBondContact O-N 3.2Å; R345-L348 PolarHBondContact O-N 3.18Å; K346-L348 VanDerWaalsContact C-N 3.34Å; K346-L348 PolarHBondContact O-N 3.47Å; L348-L356 HydrophobicContact CD2-CD1 4.2Å; L348-L356 HydrophobicContact CD2-CD2 3.95Å; L348-F409 HydrophobicContact CD1-CE1 3.99Å; L348-F409 HydrophobicContact CD1-CZ 4.18Å; L348-F409 HydrophobicContact CD2-CE1 4.47Å; L348-M426 HydrophobicContact CB-CE 4.07Å; L348-M426 HydrophobicContact CB-SD 4.26Å; L348-M426 HydrophobicContact CD1-CE 4.46Å; L348-M426 HydrophobicContact CD1-SD 4.47Å; L348-K429 VanDerWaalsContact O-CE 3.32Å; L348-K429 WeakPolarHBondContact O-CE 3.34Å; L348-W430 HydrophobicContact CD1-CZ2 4.36Å; L348-W430 HydrophobicContact CD2-CZ2 4.44Å; L348-L583 HydrophobicContact CD2-CD1 4.4Å; L348-F584 HydrophobicContact CD2-CZ 4.05Å
349L95.2Very high94.3Very high47 Ų4742.2 Ų42.225%0.24621%0.21CC..Hα-helixtrans-79.8-38.1177.1-71.6174.9000112.4R345 K346 D347 K425 M426 K429R345-L349 WeakPolarHBondContact O-CB 3.21Å; R345-L349 VanDerWaalsContact O-CG 3.28Å; R345-L349 WeakPolarHBondContact O-CG 3.34Å; R345-L349 PolarHBondContact O-N 3.19Å; K346-L349 PolarHBondContact O-N 2.69Å; K346-L349 VanDerWaalsContact O-N 3.09Å; D347-L349 VanDerWaalsContact C-N 3.31Å; D347-L349 PolarHBondContact O-N 3.32Å; L349-K425 HydrophobicContact CD2-CB 3.8Å; L349-M426 HydrophobicContact CD1-CE 4.27Å; L349-M426 HydrophobicContact CD2-CE 3.93Å; L349-M426 HydrophobicContact CD2-SD 4.42Å; L349-M426 HydrophobicContact CG-CE 3.74Å; L349-K429 WeakPolarHBondContact O-CE 3.44Å; L349-K429 PolarHBondContact O-NZ 3.04Å
350E94.4Very high94.5Very high131 Ų13136.4 Ų36.461%0.61219%0.188SC*.Hα-helixtrans-71.1-35.8178.6-72.5-178.9167.700112.7K346 D347K346-E350 WeakPolarHBondContact CE-OE1 3.3Å; K346-E350 WeakPolarHBondContact CE-OE2 3.49Å; K346-E350 HydrophobicContact CG-CG 4.38Å; K346-E350 IonicContact NZ-OE1 3.71Å; K346-E350 WeakPolarHBondContact O-CG 3.32Å; K346-E350 PolarHBondContact O-N 2.85Å; D347-E350 PolarHBondContact O-N 3.42Å
351A94.7Very high94.6Very high7 Ų736.3 Ų36.36%0.05819%0.188CC..SBendtrans-69.9147.4177.800000113.4D347 L356 K429 L580D347-A351 VanDerWaalsContact O-CB 3.29Å; D347-A351 WeakPolarHBondContact O-CB 3.21Å; D347-A351 PolarHBondContact O-N 3.36Å; A351-L356 HydrophobicContact CB-CD1 4.45Å; A351-L356 HydrophobicContact CB-CD2 3.65Å; A351-L356 HydrophobicContact CB-CG 3.94Å; A351-K429 PolarHBondContact O-NZ 3.39Å; A351-L580 HydrophobicContact CB-CD1 3.65Å; A351-L580 HydrophobicContact CB-CD2 4.27Å
352N93.8Very high94.5Very high97 Ų9737.8 Ų37.852%0.51920%0.199SC..  trans-73145.4174.8-66.5-63000111.2S354 E355 L356N352-S354 PolarHBondContact O-N 3.37Å; N352-S354 VanDerWaalsContact O-N 3.09Å; N352-E355 HydrophobicContact CB-CG 4.18Å; N352-E355 PolarHBondContact N-OE2 2.9Å; N352-E355 PolarHBondContact ND2-OE1 2.9Å; N352-E355 WeakPolarHBondContact O-CA 3.46Å; N352-E355 WeakPolarHBondContact O-CB 3.19Å; N352-E355 PolarHBondContact O-N 3.12Å; N352-L356 PolarHBondContact O-N 3.21Å; N352-L356 VanDerWaalsContact O-N 3.1Å
353A96.3Very high94.5Very high12 Ų1236 Ų3610%0.09919%0.189CC..Hα-helixtrans-56.1-32.217800000113.1A357 E432 V433 Q436A353-A357 VanDerWaalsContact O-CB 3.26Å; A353-A357 WeakPolarHBondContact O-CB 3.42Å; A353-A357 PolarHBondContact O-N 3.22Å; A353-E432 HydrophobicContact CB-CB 3.56Å; A353-V433 HydrophobicContact CB-CG2 3.89Å; A353-Q436 HydrophobicContact CB-CG 4.13Å
354S94.2Very high94.5Very high43 Ų4332.8 Ų32.830%0.30117%0.169SC..Hα-helixtrans-68.6-33.6173.7177.60000113.3N352 R358N352-S354 PolarHBondContact O-N 3.37Å; N352-S354 VanDerWaalsContact O-N 3.09Å; S354-R358 WeakPolarHBondContact O-CB 3.48Å; S354-R358 WeakPolarHBondContact O-CG 3.47Å; S354-R358 PolarHBondContact O-N 3.47Å; S354-R358 VanDerWaalsContact O-N 3.11Å; S354-R358 PolarHBondContact O-NE 3.32Å; S354-R358 VanDerWaalsContact O-NE 3.07Å
355E94.1Very high94.2Very high44 Ų4434.3 Ų34.321%0.20618%0.175CC..Hα-helixtrans-69.8-48.8175.1-71.1150.9-162.700110.5N352 A357 R358 C359 A576N352-E355 HydrophobicContact CB-CG 4.18Å; N352-E355 PolarHBondContact N-OE2 2.9Å; N352-E355 PolarHBondContact ND2-OE1 2.9Å; N352-E355 WeakPolarHBondContact O-CA 3.46Å; N352-E355 WeakPolarHBondContact O-CB 3.19Å; N352-E355 PolarHBondContact O-N 3.12Å; E355-A357 PolarHBondContact O-N 3.42Å; E355-R358 PolarHBondContact O-N 2.78Å; E355-R358 VanDerWaalsContact O-N 3.16Å; E355-C359 PolarHBondContact O-N 3.43Å; E355-C359 PolarHBondContact O-SG 2.87Å; E355-C359 VanDerWaalsContact O-SG 3.37Å; E355-A576 HydrophobicContact CB-CB 4.44Å
356L96.5Very high93.8Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-58.6-47.4177.4-60.8-180000111.4L348 A351 N352 R358 C359 I360 K429 V433 F584L348-L356 HydrophobicContact CD2-CD1 4.2Å; L348-L356 HydrophobicContact CD2-CD2 3.95Å; A351-L356 HydrophobicContact CB-CD1 4.45Å; A351-L356 HydrophobicContact CB-CD2 3.65Å; A351-L356 HydrophobicContact CB-CG 3.94Å; N352-L356 PolarHBondContact O-N 3.21Å; N352-L356 VanDerWaalsContact O-N 3.1Å; L356-R358 VanDerWaalsContact C-N 3.31Å; L356-R358 PolarHBondContact O-N 3.28Å; L356-C359 PolarHBondContact O-N 2.94Å; L356-I360 VanDerWaalsContact O-CG1 3.3Å; L356-I360 WeakPolarHBondContact O-CG1 3.29Å; L356-I360 PolarHBondContact O-N 3.11Å; L356-K429 HydrophobicContact CD1-CD 4.12Å; L356-K429 HydrophobicContact CD1-CG 4.03Å; L356-V433 HydrophobicContact CB-CG2 3.87Å; L356-V433 HydrophobicContact CD1-CG2 3.99Å; L356-F584 HydrophobicContact CB-CE2 4.41Å; L356-F584 HydrophobicContact CB-CZ 4.19Å; L356-F584 HydrophobicContact CD2-CE2 3.85Å; L356-F584 HydrophobicContact CD2-CZ 3.95Å
357A96.3Very high93.6Very high0 Ų034.2 Ų34.20%018%0.177CC..Hα-helixtrans-61.8-35.9177.200000113A353 E355 T361 V433 Q436 L437 L441A353-A357 VanDerWaalsContact O-CB 3.26Å; A353-A357 WeakPolarHBondContact O-CB 3.42Å; A353-A357 PolarHBondContact O-N 3.22Å; E355-A357 PolarHBondContact O-N 3.42Å; A357-T361 WeakPolarHBondContact O-CB 3.06Å; A357-T361 PolarHBondContact O-N 3.4Å; A357-T361 PolarHBondContact O-OG1 3.1Å; A357-V433 HydrophobicContact CB-CG1 4.36Å; A357-Q436 HydrophobicContact CB-CB 3.58Å; A357-L437 HydrophobicContact CB-CD2 3.99Å; A357-L437 HydrophobicContact CB-CG 3.96Å; A357-L441 HydrophobicContact CB-CD1 3.67Å; A357-L441 WeakPolarHBondContact O-CD1 3.49Å
358R94.4Very high93.1Very high69 Ų6933.3 Ų33.326%0.2617%0.172SC..Hα-helixtrans-69.2-40.8173.4-77.1-179.9-64.3134.8-13.1112.2S354 E355 L356 T361 S362 L441 D574S354-R358 WeakPolarHBondContact O-CB 3.48Å; S354-R358 WeakPolarHBondContact O-CG 3.47Å; S354-R358 PolarHBondContact O-N 3.47Å; S354-R358 VanDerWaalsContact O-N 3.11Å; S354-R358 PolarHBondContact O-NE 3.32Å; S354-R358 VanDerWaalsContact O-NE 3.07Å; E355-R358 PolarHBondContact O-N 2.78Å; E355-R358 VanDerWaalsContact O-N 3.16Å; L356-R358 VanDerWaalsContact C-N 3.31Å; L356-R358 PolarHBondContact O-N 3.28Å; R358-T361 PolarHBondContact O-N 3.49Å; R358-S362 VanDerWaalsContact O-CB 3.3Å; R358-S362 WeakPolarHBondContact O-CB 3.24Å; R358-S362 PolarHBondContact O-N 3.21Å; R358-L441 HydrophobicContact CG-CD1 4.03Å; R358-L441 HydrophobicContact CG-CD2 4.06Å; R358-D574 PolarHBondContact NH1-O 3.11Å
359C95Very high92.2Very high3 Ų337.5 Ų37.52%0.0220%0.198CC..Hα-helixtrans-62.3-47.2174.4-68.70000111.7E355 L356 T361 S362 A363 A576 R581 F584E355-C359 PolarHBondContact O-N 3.43Å; E355-C359 PolarHBondContact O-SG 2.87Å; E355-C359 VanDerWaalsContact O-SG 3.37Å; L356-C359 PolarHBondContact O-N 2.94Å; C359-T361 PolarHBondContact O-N 2.79Å; C359-S362 PolarHBondContact O-N 3.47Å; C359-A363 PolarHBondContact O-N 3.05Å; C359-A576 VanDerWaalsContact SG-CB 3.55Å; C359-R581 HydrophobicContact CB-CG 4.4Å; C359-F584 HydrophobicContact CB-CD2 3.48Å; C359-F584 VanDerWaalsContact CB-CD2 3.48Å; C359-F584 HydrophobicContact CB-CE2 3.89Å; C359-F584 HydrophobicContact CB-CG 4.42Å
360I96.2Very high90.9Very high0 Ų037.4 Ų37.40%020%0.201CC..Hα-helixtrans-54.5-54.4173.6-68.8164.4000110.3L356 S362 A363 D364 L406 W430 V433 L437 S446 F584L356-I360 VanDerWaalsContact O-CG1 3.3Å; L356-I360 WeakPolarHBondContact O-CG1 3.29Å; L356-I360 PolarHBondContact O-N 3.11Å; I360-S362 VanDerWaalsContact C-N 3.29Å; I360-S362 PolarHBondContact O-N 2.75Å; I360-A363 PolarHBondContact O-N 2.62Å; I360-A363 VanDerWaalsContact O-N 3.08Å; I360-D364 WeakPolarHBondContact CG2-OD2 3.46Å; I360-D364 VanDerWaalsContact O-CG 3.26Å; I360-D364 PolarHBondContact O-N 3.33Å; I360-L406 HydrophobicContact CG2-CD2 4.23Å; I360-W430 HydrophobicContact CD1-CZ3 4.2Å; I360-V433 HydrophobicContact CD1-CG1 3.78Å; I360-L437 HydrophobicContact CB-CD2 4.2Å; I360-L437 HydrophobicContact CD1-CD1 4.29Å; I360-L437 HydrophobicContact CG2-CD2 3.89Å; I360-S446 VanDerWaalsContact CG2-OG 3.26Å; I360-S446 WeakPolarHBondContact CG2-OG 3.2Å; I360-F584 HydrophobicContact CB-CD1 4.48Å; I360-F584 HydrophobicContact CD1-CD1 4.06Å; I360-F584 HydrophobicContact CD1-CE1 3.65Å; I360-F584 HydrophobicContact CD1-CZ 4.09Å; I360-F584 HydrophobicContact CG1-CB 4.41Å; I360-F584 HydrophobicContact CG1-CD1 3.26Å; I360-F584 HydrophobicContact CG1-CD2 4.19Å; I360-F584 HydrophobicContact CG1-CE1 3.36Å; I360-F584 HydrophobicContact CG1-CE2 4.28Å; I360-F584 HydrophobicContact CG1-CG 3.69Å; I360-F584 HydrophobicContact CG1-CZ 3.89Å
361T94Very high89.2Confident5 Ų533.9 Ų33.93%0.03119%0.186CC..Hα-helixtrans-63.5-34-178.4-54.60000112.4A357 R358 C359 R365 L441 N443 I504A357-T361 WeakPolarHBondContact O-CB 3.06Å; A357-T361 PolarHBondContact O-N 3.4Å; A357-T361 PolarHBondContact O-OG1 3.1Å; R358-T361 PolarHBondContact O-N 3.49Å; C359-T361 PolarHBondContact O-N 2.79Å; T361-R365 HydrophobicContact CG2-CG 4.48Å; T361-R365 WeakPolarHBondContact O-CB 3.38Å; T361-R365 VanDerWaalsContact O-CG 3.29Å; T361-R365 WeakPolarHBondContact O-CG 3.18Å; T361-R365 PolarHBondContact O-N 3.28Å; T361-L441 WeakPolarHBondContact OG1-CD1 3.23Å; T361-N443 WeakPolarHBondContact CA-ND2 3.23Å; T361-N443 HydrophobicContact CG2-CB 4.11Å; T361-N443 PolarHBondContact OG1-ND2 3.46Å; T361-I504 HydrophobicContact CG2-CD1 4.32Å
362S92Very high87.3Confident38 Ų3839.1 Ų39.127%0.26621%0.209SC..Hα-helixtrans-67.6-38.8173.8-177.10000112.4R358 C359 I360 H366 R581R358-S362 VanDerWaalsContact O-CB 3.3Å; R358-S362 WeakPolarHBondContact O-CB 3.24Å; R358-S362 PolarHBondContact O-N 3.21Å; C359-S362 PolarHBondContact O-N 3.47Å; I360-S362 VanDerWaalsContact C-N 3.29Å; I360-S362 PolarHBondContact O-N 2.75Å; S362-H366 WeakPolarHBondContact O-CB 3.5Å; S362-H366 PolarHBondContact O-N 2.87Å; S362-R581 PolarHBondContact OG-NH2 3.27Å
363A92.4Very high85Confident18 Ų1838.1 Ų38.115%0.14922%0.215CC..Hα-helixtrans-69.1-42.8176.400000111.6C359 I360 H366 L367 F584C359-A363 PolarHBondContact O-N 3.05Å; I360-A363 PolarHBondContact O-N 2.62Å; I360-A363 VanDerWaalsContact O-N 3.08Å; A363-H366 PolarHBondContact O-N 3.42Å; A363-L367 PolarHBondContact O-N 2.96Å; A363-F584 HydrophobicContact CB-CB 4.19Å; A363-F584 VanDerWaalsContact CB-O 3.23Å; A363-F584 WeakPolarHBondContact CB-O 3.38Å
364D92.9Very high82.7Confident1 Ų146.4 Ų46.41%0.00525%0.252CS..Hα-helixtrans-62.8-47.1175.9-61.9-27.1000111.4I360 H366 L367 L368 K402 N443 F445 S446 I504I360-D364 WeakPolarHBondContact CG2-OD2 3.46Å; I360-D364 VanDerWaalsContact O-CG 3.26Å; I360-D364 PolarHBondContact O-N 3.33Å; D364-H366 VanDerWaalsContact C-N 3.31Å; D364-H366 PolarHBondContact O-N 2.94Å; D364-L367 PolarHBondContact O-N 3.25Å; D364-L368 VanDerWaalsContact O-CG 3.3Å; D364-L368 WeakPolarHBondContact O-CG 3.32Å; D364-L368 PolarHBondContact O-N 3.45Å; D364-K402 WeakPolarHBondContact OD1-CE 3.31Å; D364-N443 PolarHBondContact OD2-ND2 2.83Å; D364-F445 HydrophobicContact CB-CD1 4.43Å; D364-S446 VanDerWaalsContact CG-OG 3.3Å; D364-S446 PolarHBondContact OD1-OG 3.48Å; D364-S446 VanDerWaalsContact OD2-CB 3.23Å; D364-S446 WeakPolarHBondContact OD2-CB 3.49Å; D364-S446 PolarHBondContact OD2-OG 3.42Å; D364-I504 HydrophobicContact CB-CD1 3.47Å; D364-I504 VanDerWaalsContact CB-CD1 3.47Å
365R87.5Confident80.9Confident35 Ų3552.7 Ų52.713%0.13227%0.273CS..Hα-helixtrans-59.7-42174.5-74.7-170-166.4-176.517.2111.4T361 L368 T369 S503 I504 F558T361-R365 HydrophobicContact CG2-CG 4.48Å; T361-R365 WeakPolarHBondContact O-CB 3.38Å; T361-R365 VanDerWaalsContact O-CG 3.29Å; T361-R365 WeakPolarHBondContact O-CG 3.18Å; T361-R365 PolarHBondContact O-N 3.28Å; R365-L368 PolarHBondContact O-N 3.41Å; R365-T369 WeakPolarHBondContact O-CG2 3.32Å; R365-T369 PolarHBondContact O-N 2.86Å; R365-T369 PolarHBondContact O-OG1 2.85Å; R365-S503 PolarHBondContact NE-OG 3.31Å; R365-S503 PolarHBondContact NH2-OG 2.77Å; R365-I504 HydrophobicContact CG-CD1 3.99Å; R365-I504 HydrophobicContact CG-CG1 4.39Å; R365-F558 PolarHBondContact NH1-O 3.28Å
366H87.3Confident79.5Confident120 Ų12053 Ų5356%0.55627%0.274SS*.Hα-helixtrans-61-46.1175.4-175.671.7000111.4S362 A363 D364 L368 T369 S370S362-H366 WeakPolarHBondContact O-CB 3.5Å; S362-H366 PolarHBondContact O-N 2.87Å; A363-H366 PolarHBondContact O-N 3.42Å; D364-H366 VanDerWaalsContact C-N 3.31Å; D364-H366 PolarHBondContact O-N 2.94Å; H366-L368 PolarHBondContact O-N 2.85Å; H366-T369 PolarHBondContact O-N 3.22Å; H366-S370 WeakPolarHBondContact O-CA 3.44Å; H366-S370 WeakPolarHBondContact O-CB 3.23Å; H366-S370 PolarHBondContact O-N 3.12Å
367L88Confident78Confident14 Ų1456.2 Ų56.27%0.07329%0.289CS..Hα-helixtrans-60.7-32.6176.2-174.861.3000112.4R318 I319 A363 D364 D398 L399 K402R318-L367 HydrophobicContact CB-CD1 3.75Å; R318-L367 VanDerWaalsContact CD-O 3.28Å; R318-L367 WeakPolarHBondContact CD-O 3.32Å; R318-L367 PolarHBondContact NH1-O 2.88Å; I319-L367 HydrophobicContact CG1-CD1 4.2Å; A363-L367 PolarHBondContact O-N 2.96Å; D364-L367 PolarHBondContact O-N 3.25Å; L367-D398 HydrophobicContact CD1-CB 4.29Å; L367-L399 HydrophobicContact CD2-CD2 4.03Å; L367-L399 HydrophobicContact CG-CD2 4.45Å; L367-K402 HydrophobicContact CD2-CB 3.57Å; L367-K402 HydrophobicContact CD2-CD 4.16Å; L367-K402 HydrophobicContact CD2-CG 3.73Å
368L85.1Confident76.8Confident16 Ų1662 Ų628%0.08433%0.327CS..Hα-helixtrans-78.2-38.2176.7-68.9173.6000113.9R318 D364 R365 H366 L384 M395 L399 I504 L507R318-L368 PolarHBondContact NH1-O 2.97Å; D364-L368 VanDerWaalsContact O-CG 3.3Å; D364-L368 WeakPolarHBondContact O-CG 3.32Å; D364-L368 PolarHBondContact O-N 3.45Å; R365-L368 PolarHBondContact O-N 3.41Å; H366-L368 PolarHBondContact O-N 2.85Å; L368-L384 HydrophobicContact CD1-CD2 4.26Å; L368-L384 HydrophobicContact CD2-CD2 3.68Å; L368-M395 HydrophobicContact CD2-CE 3.51Å; L368-L399 HydrophobicContact CD2-CD1 4.04Å; L368-L399 HydrophobicContact CD2-CD2 3.78Å; L368-L399 HydrophobicContact CD2-CG 4.47Å; L368-L399 HydrophobicContact CG-CD2 4.45Å; L368-I504 HydrophobicContact CD1-CD1 4.15Å; L368-I504 HydrophobicContact CD1-CG1 4.39Å; L368-I504 HydrophobicContact CD1-CG2 3.79Å; L368-L507 HydrophobicContact CD1-CD1 4.49Å; L368-L507 HydrophobicContact CD2-CD1 4Å
369T76.8Confident75.7Confident88 Ų8862.7 Ų62.754%0.5434%0.335SS..Hα-helixtrans-100.8-9.9-173.864.40000115R365 H366 N371R365-T369 WeakPolarHBondContact O-CG2 3.32Å; R365-T369 PolarHBondContact O-N 2.86Å; R365-T369 PolarHBondContact O-OG1 2.85Å; H366-T369 PolarHBondContact O-N 3.22Å; T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 3.31Å
370S67.6Low74.6Confident44 Ų4463 Ų6331%0.30834%0.337SS..  trans-66.684.9179.1-171.90000111R318 H366R318-S370 PolarHBondContact NE-O 3.35Å; R318-S370 PolarHBondContact NH1-O 2.89Å; R318-S370 PolarHBondContact NH2-O 2.68Å; H366-S370 WeakPolarHBondContact O-CA 3.44Å; H366-S370 WeakPolarHBondContact O-CB 3.23Å; H366-S370 PolarHBondContact O-N 3.12Å
371N58.7Low73.5Confident57 Ų5764.5 Ų64.531%0.30535%0.346SS..  trans-90122.9178.2-71.6-26.2000109R318 T369 A373 F376 C382R318-N371 PolarHBondContact NH2-OD1 3.05Å; R318-N371 VanDerWaalsContact NH2-OD1 3.11Å; T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 3.31Å; N371-A373 HydrophobicContact CB-CB 4.29Å; N371-A373 PolarHBondContact O-N 2.87Å; N371-F376 HydrophobicContact CB-CE2 4.17Å; N371-C382 PolarHBondContact ND2-SG 2.9Å; N371-C382 VanDerWaalsContact ND2-SG 3.38Å; N371-C382 PolarHBondContact OD1-O 3.45Å
372Q53.7Low72.2Confident117 Ų11766.6 Ų66.655%0.54736%0.36SS..  trans-70.467157.6-64.6-1745.300108.6E374 K375 F376Q372-E374 PolarHBondContact O-N 3.25Å; Q372-K375 PolarHBondContact O-N 3.26Å; Q372-F376 WeakPolarHBondContact O-CD2 3.38Å; Q372-F376 WeakPolarHBondContact O-CE2 3.31Å
373A45.7Very low71.3Confident77 Ų7766.4 Ų66.464%0.63636%0.357SS*.G310 helixtrans-58.9-19.1-160.700000114.2N371 K375N371-A373 HydrophobicContact CB-CB 4.29Å; N371-A373 PolarHBondContact O-N 2.87Å; A373-K375 VanDerWaalsContact C-N 3.31Å; A373-K375 PolarHBondContact O-N 3.04Å
374E48.8Very low70.8Confident186 Ų18666.2 Ų66.287%0.86935%0.353SS*.G310 helixtrans-76.1-8.7-175.1-56.8-177.2160.600114.6Q372Q372-E374 PolarHBondContact O-N 3.25Å
375K56.1Low70.1Confident174 Ų17466.5 Ų66.576%0.75736%0.355SS*.G310 helixtrans-132.118.6-171.1-63.6-173.5-178.9176.80116.4Q372 A373Q372-K375 PolarHBondContact O-N 3.26Å; A373-K375 VanDerWaalsContact C-N 3.31Å; A373-K375 PolarHBondContact O-N 3.04Å
376F64.1Low69.9Low51 Ų5164.8 Ų64.822%0.22435%0.349CS..  trans-87.3137178.6-71.1-82.4000113.2L315 N371 Q372 C382L315-F376 HydrophobicContact CD1-CE1 4.01Å; L315-F376 HydrophobicContact CD2-CD1 4.14Å; L315-F376 HydrophobicContact CD2-CE1 3.5Å; L315-F376 HydrophobicContact CD2-CZ 4.19Å; L315-F376 HydrophobicContact CG-CE1 4.43Å; N371-F376 HydrophobicContact CB-CE2 4.17Å; Q372-F376 WeakPolarHBondContact O-CD2 3.38Å; Q372-F376 WeakPolarHBondContact O-CE2 3.31Å; F376-C382 HydrophobicContact CZ-CB 4.49Å
377H66.2Low69.8Low68 Ų6859.1 Ų59.132%0.31532%0.322SS..  trans-69.6135.4168.4-175.7-88.9000109.6I311 V313 L379 I380I311-H377 HydrophobicContact CG2-CB 4.28Å; V313-H377 HydrophobicContact CG2-CB 4.13Å; H377-L379 PolarHBondContact ND1-N 3.45Å; H377-L379 PolarHBondContact O-N 3.29Å; H377-I380 HydrophobicContact CB-CD1 4.11Å; H377-I380 HydrophobicContact CB-CG1 4.25Å; H377-I380 PolarHBondContact O-N 2.96Å
378P69.3Low69.7Low122 Ų12260.3 Ų60.379%0.79233%0.328SS*.THydrogen-bonded Turntrans-63.2-17.4-170.423.6-35.6000115.4
379L71.4Confident69.6Low83 Ų8361 Ų6144%0.43533%0.332SS..THydrogen-bonded Turntrans-89-5.2174-58.1-178.4000114.2I311 H377I311-L379 HydrophobicContact CD1-CB 4.19Å; I311-L379 HydrophobicContact CD1-CD1 4.15Å; H377-L379 PolarHBondContact ND1-N 3.45Å; H377-L379 PolarHBondContact O-N 3.29Å
380I72.7Confident69.8Low9 Ų960.2 Ų60.25%0.04633%0.328CS..SBendtrans-100.7116178.8-63.4179.1000108.6I311 V313 H377 L386 Q391I311-I380 HydrophobicContact CG2-CD1 3.79Å; I311-I380 HydrophobicContact CG2-CG1 4.42Å; V313-I380 HydrophobicContact CB-CD1 3.59Å; V313-I380 HydrophobicContact CG1-CD1 4.17Å; V313-I380 HydrophobicContact CG2-CD1 3.71Å; H377-I380 HydrophobicContact CB-CD1 4.11Å; H377-I380 HydrophobicContact CB-CG1 4.25Å; H377-I380 PolarHBondContact O-N 2.96Å; I380-L386 HydrophobicContact CG2-CD1 3.93Å; I380-Q391 HydrophobicContact CD1-CB 4.44Å; I380-Q391 HydrophobicContact CD1-CG 3.93Å
381P73Confident70.5Confident31 Ų3158.9 Ų58.920%0.20132%0.317CS..  trans-66.7147.317429.9-35000110.9S385 L386 L389P381-S385 VanDerWaalsContact CB-OG 3.24Å; P381-S385 WeakPolarHBondContact CB-OG 3.38Å; P381-S385 VanDerWaalsContact CG-OG 3.23Å; P381-S385 WeakPolarHBondContact CG-OG 3.25Å; P381-L386 WeakPolarHBondContact O-CB 3.49Å; P381-L389 VanDerWaalsContact CD-CD1 3.4Å; P381-L389 HydrophobicContact CG-CD1 3.62Å
382C67.4Low71.7Confident49 Ų4956.2 Ų56.233%0.33130%0.303SS..  trans-107.78.4176.259.30000113.2N371 F376N371-C382 PolarHBondContact ND2-SG 2.9Å; N371-C382 VanDerWaalsContact ND2-SG 3.38Å; N371-C382 PolarHBondContact OD1-O 3.45Å; F376-C382 HydrophobicContact CZ-CB 4.49Å
383N73.5Confident73.3Confident35 Ų3556.1 Ų56.119%0.18730%0.303CS..SBendtrans-98.4-171.417670.26000111.2S385 L386 T554N383-S385 PolarHBondContact O-N 3.11Å; N383-S385 WeakPolarHBondContact OD1-CB 3.44Å; N383-S385 PolarHBondContact OD1-N 3.46Å; N383-S385 PolarHBondContact OD1-OG 3.2Å; N383-L386 WeakPolarHBondContact O-CB 3.33Å; N383-L386 PolarHBondContact O-N 3.02Å; N383-T554 HydrophobicContact CB-CG2 4.08Å; N383-T554 PolarHBondContact ND2-OG1 3.06Å
384L80.4Confident75.2Confident13 Ų1353.4 Ų53.47%0.06828%0.28CS..G310 helixtrans-52.5-26.1178.8-74.9171.5000114.8L368 L386 L387 P505 L507 W550 F558L368-L384 HydrophobicContact CD1-CD2 4.26Å; L368-L384 HydrophobicContact CD2-CD2 3.68Å; L384-L386 PolarHBondContact O-N 3.26Å; L384-L387 HydrophobicContact CD2-CD1 3.89Å; L384-L387 VanDerWaalsContact O-CB 3.29Å; L384-L387 WeakPolarHBondContact O-CB 3.4Å; L384-L387 WeakPolarHBondContact O-CG 3.25Å; L384-L387 PolarHBondContact O-N 3.02Å; L384-P505 HydrophobicContact CD1-CG 4.16Å; L384-L507 HydrophobicContact CD2-CD1 4.4Å; L384-L507 HydrophobicContact CD2-CD2 3.88Å; L384-W550 HydrophobicContact CB-CB 4.3Å; L384-W550 HydrophobicContact CB-CE3 3.93Å; L384-W550 HydrophobicContact CD1-CB 4.44Å; L384-W550 HydrophobicContact CD1-CD2 4.35Å; L384-W550 HydrophobicContact CD1-CE3 4.1Å; L384-W550 HydrophobicContact CG-CE3 4.46Å; L384-F558 HydrophobicContact CD1-CE1 4.34Å; L384-F558 HydrophobicContact CD1-CZ 4.32Å
385S79.4Confident77.1Confident7 Ų744.9 Ų44.95%0.04924%0.24CC..G310 helixtrans-66.7-16177.170.90000113.6P381 N383 L387 L388P381-S385 VanDerWaalsContact CB-OG 3.24Å; P381-S385 WeakPolarHBondContact CB-OG 3.38Å; P381-S385 VanDerWaalsContact CG-OG 3.23Å; P381-S385 WeakPolarHBondContact CG-OG 3.25Å; N383-S385 PolarHBondContact O-N 3.11Å; N383-S385 WeakPolarHBondContact OD1-CB 3.44Å; N383-S385 PolarHBondContact OD1-N 3.46Å; N383-S385 PolarHBondContact OD1-OG 3.2Å; S385-L387 PolarHBondContact O-N 3.04Å; S385-L388 WeakPolarHBondContact O-CB 3.5Å; S385-L388 PolarHBondContact O-N 2.57Å; S385-L388 VanDerWaalsContact O-N 3.1Å
386L82.6Confident78.7Confident0 Ų037.2 Ų37.20%021%0.207CC..G310 helixtrans-57.2-32.1168.7-179.255.9000112.1L315 I380 P381 N383 L384 L388 L389 Q391 G392 M395L315-L386 HydrophobicContact CD1-CD1 4.16Å; L315-L386 HydrophobicContact CD1-CD2 3.62Å; L315-L386 HydrophobicContact CD1-CG 4.44Å; I380-L386 HydrophobicContact CG2-CD1 3.93Å; P381-L386 WeakPolarHBondContact O-CB 3.49Å; N383-L386 WeakPolarHBondContact O-CB 3.33Å; N383-L386 PolarHBondContact O-N 3.02Å; L384-L386 PolarHBondContact O-N 3.26Å; L386-L388 PolarHBondContact O-N 3.23Å; L386-L389 PolarHBondContact O-N 3.48Å; L386-Q391 HydrophobicContact CD1-CB 4.36Å; L386-G392 WeakPolarHBondContact O-CA 3.21Å; L386-M395 HydrophobicContact CB-SD 4.23Å; L386-M395 HydrophobicContact CD2-SD 3.83Å; L386-M395 HydrophobicContact CG-SD 4.21Å
387L86Confident80Confident0 Ų038.2 Ų38.20%021%0.214CC..G310 helixtrans-62.6-24.2177.9-58.9177000112.9L384 S385 M395 R396 L399 L507 V510 F514L384-L387 HydrophobicContact CD2-CD1 3.89Å; L384-L387 VanDerWaalsContact O-CB 3.29Å; L384-L387 WeakPolarHBondContact O-CB 3.4Å; L384-L387 WeakPolarHBondContact O-CG 3.25Å; L384-L387 PolarHBondContact O-N 3.02Å; S385-L387 PolarHBondContact O-N 3.04Å; L387-M395 HydrophobicContact CD2-CB 4.18Å; L387-M395 HydrophobicContact CD2-CE 4.19Å; L387-M395 HydrophobicContact CD2-CG 3.75Å; L387-M395 HydrophobicContact CD2-SD 3.72Å; L387-M395 HydrophobicContact CG-CE 4.47Å; L387-M395 HydrophobicContact CG-SD 4.27Å; L387-R396 HydrophobicContact CD2-CG 3.89Å; L387-R396 PolarHBondContact O-NH1 3.08Å; L387-L399 HydrophobicContact CD1-CD1 3.99Å; L387-L399 HydrophobicContact CD2-CD1 3.6Å; L387-L399 HydrophobicContact CG-CD1 4.45Å; L387-L507 HydrophobicContact CD1-CD1 4.48Å; L387-L507 HydrophobicContact CD1-CD2 4.12Å; L387-V510 HydrophobicContact CB-CG1 4.19Å; L387-F514 WeakPolarHBondContact O-CE2 3.4Å
388L84.9Confident81.2Confident39 Ų3935.4 Ų35.420%0.20420%0.202CC..G310 helixtrans-84.2-8.2176-69.9178.5000114.1S385 L386 V510 F514 L544 T547 R548S385-L388 WeakPolarHBondContact O-CB 3.5Å; S385-L388 PolarHBondContact O-N 2.57Å; S385-L388 VanDerWaalsContact O-N 3.1Å; L386-L388 PolarHBondContact O-N 3.23Å; L388-V510 HydrophobicContact CD2-CG1 4.33Å; L388-F514 HydrophobicContact CD2-CE2 4.33Å; L388-F514 WeakPolarHBondContact O-CZ 3.43Å; L388-L544 HydrophobicContact CD2-CD2 4.1Å; L388-T547 HydrophobicContact CD1-CG2 3.78Å; L388-T547 HydrophobicContact CD2-CG2 3.52Å; L388-T547 HydrophobicContact CG-CG2 3.6Å; L388-R548 HydrophobicContact CD1-CG 3.77Å
389L83.5Confident82.4Confident32 Ų3229.6 Ų29.617%0.16816%0.164CC..SBendtrans-104.3152.1-174.6-61.3-179.8000111.8I308 P381 L386 Q391 G392 R396I308-L389 HydrophobicContact CD1-CD1 3.99Å; I308-L389 HydrophobicContact CD1-CD2 4.11Å; P381-L389 VanDerWaalsContact CD-CD1 3.4Å; P381-L389 HydrophobicContact CG-CD1 3.62Å; L386-L389 PolarHBondContact O-N 3.48Å; L389-Q391 PolarHBondContact O-N 3.05Å; L389-G392 PolarHBondContact O-N 3.26Å; L389-R396 PolarHBondContact O-NH1 3.44Å; L389-R396 PolarHBondContact O-NH2 2.86Å
390P81.6Confident83.4Confident70 Ų7026.8 Ų26.846%0.45515%0.148SC..G310 helixtrans-50.8-43.7174.4-28.235.9000112.7G392 E393 R396P390-G392 PolarHBondContact O-N 3.45Å; P390-G392 VanDerWaalsContact O-N 3.1Å; P390-E393 PolarHBondContact O-N 3.18Å; P390-R396 PolarHBondContact O-NH2 3.44Å
391Q81.4Confident84.4Confident17 Ų1727.4 Ų27.48%0.07915%0.151CC..G310 helixtrans-63.7-15.7-179.3-6086.4-7.700114.4I308 I311 I380 L386 L389 E393I308-Q391 PolarHBondContact O-NE2 2.8Å; I311-Q391 PolarHBondContact O-NE2 3.22Å; I380-Q391 HydrophobicContact CD1-CB 4.44Å; I380-Q391 HydrophobicContact CD1-CG 3.93Å; L386-Q391 HydrophobicContact CD1-CB 4.36Å; L389-Q391 PolarHBondContact O-N 3.05Å; Q391-E393 PolarHBondContact O-N 3.3Å
392G84.7Confident85.4Confident0 Ų026 Ų260%014%0.142CC..G310 helixtrans-75.53.4175.900000115.4L386 L389 P390 A394 M395 R396L386-G392 WeakPolarHBondContact O-CA 3.21Å; L389-G392 PolarHBondContact O-N 3.26Å; P390-G392 PolarHBondContact O-N 3.45Å; P390-G392 VanDerWaalsContact O-N 3.1Å; G392-A394 PolarHBondContact O-N 2.91Å; G392-M395 PolarHBondContact O-N 3.38Å; G392-M395 VanDerWaalsContact O-N 3.12Å; G392-R396 WeakPolarHBondContact O-CG 3.27Å; G392-R396 PolarHBondContact O-N 2.93Å
393E86.3Confident86.7Confident116 Ų11623.7 Ų23.754%0.54213%0.126SC..Hα-helixtrans-52.4-48.4-176.5-169.7-168.6167.400113.1P390 Q391 M395 R396 N397P390-E393 PolarHBondContact O-N 3.18Å; Q391-E393 PolarHBondContact O-N 3.3Å; E393-M395 PolarHBondContact O-N 3.37Å; E393-R396 VanDerWaalsContact CA-NH2 3.34Å; E393-R396 PolarHBondContact O-N 3.33Å; E393-N397 VanDerWaalsContact O-CG 3.27Å; E393-N397 PolarHBondContact O-N 2.98Å; E393-N397 PolarHBondContact O-ND2 3.09Å
394A86.5Confident87.7Confident20 Ų2023.6 Ų23.617%0.16513%0.127CC..Hα-helixtrans-60-4617800000111.8L315 G392 R396 N397 D398L315-A394 HydrophobicContact CB-CB 4.23Å; L315-A394 VanDerWaalsContact O-CB 3.3Å; L315-A394 WeakPolarHBondContact O-CB 3.3Å; G392-A394 PolarHBondContact O-N 2.91Å; A394-R396 PolarHBondContact O-N 3.34Å; A394-N397 PolarHBondContact O-N 2.76Å; A394-D398 PolarHBondContact O-N 3.23Å
395M88.2Confident88.4Confident6 Ų623 Ų233%0.0312%0.124CC..Hα-helixtrans-64.5-37.9178-170.4-175.917900112.1L368 L386 L387 G392 E393 L399L368-M395 HydrophobicContact CD2-CE 3.51Å; L386-M395 HydrophobicContact CB-SD 4.23Å; L386-M395 HydrophobicContact CD2-SD 3.83Å; L386-M395 HydrophobicContact CG-SD 4.21Å; L387-M395 HydrophobicContact CD2-CB 4.18Å; L387-M395 HydrophobicContact CD2-CE 4.19Å; L387-M395 HydrophobicContact CD2-CG 3.75Å; L387-M395 HydrophobicContact CD2-SD 3.72Å; L387-M395 HydrophobicContact CG-CE 4.47Å; L387-M395 HydrophobicContact CG-SD 4.27Å; G392-M395 PolarHBondContact O-N 3.38Å; G392-M395 VanDerWaalsContact O-N 3.12Å; E393-M395 PolarHBondContact O-N 3.37Å; M395-L399 HydrophobicContact CE-CD1 4.47Å; M395-L399 HydrophobicContact CG-CD1 4.27Å; M395-L399 WeakPolarHBondContact O-CB 3.35Å; M395-L399 WeakPolarHBondContact O-CD1 3.41Å; M395-L399 VanDerWaalsContact O-CG 3.28Å; M395-L399 WeakPolarHBondContact O-CG 3.33Å; M395-L399 PolarHBondContact O-N 2.91Å
396R90.7Very high89.3Confident13 Ų1322.7 Ų22.75%0.04912%0.121CC..Hα-helixtrans-63-43.1173.3-71-169.9-69.6-84.3-3.7111.2L387 L389 P390 G392 E393 A394 L399 K400 L511L387-R396 HydrophobicContact CD2-CG 3.89Å; L387-R396 PolarHBondContact O-NH1 3.08Å; L389-R396 PolarHBondContact O-NH1 3.44Å; L389-R396 PolarHBondContact O-NH2 2.86Å; P390-R396 PolarHBondContact O-NH2 3.44Å; G392-R396 WeakPolarHBondContact O-CG 3.27Å; G392-R396 PolarHBondContact O-N 2.93Å; E393-R396 VanDerWaalsContact CA-NH2 3.34Å; E393-R396 PolarHBondContact O-N 3.33Å; A394-R396 PolarHBondContact O-N 3.34Å; R396-L399 PolarHBondContact O-N 3.09Å; R396-K400 WeakPolarHBondContact O-CD 3.43Å; R396-K400 VanDerWaalsContact O-CG 3.25Å; R396-K400 WeakPolarHBondContact O-CG 3.24Å; R396-K400 PolarHBondContact O-N 3.21Å; R396-K400 VanDerWaalsContact O-N 3.11Å; R396-L511 HydrophobicContact CB-CD2 3.82Å; R396-L511 HydrophobicContact CG-CD2 3.9Å
397N90.2Very high89.9Confident72 Ų7224.4 Ų24.439%0.38513%0.129SC..Hα-helixtrans-68-40.6178.8-66.6-17.4000111.9E393 A394 L399 K400 E401E393-N397 VanDerWaalsContact O-CG 3.27Å; E393-N397 PolarHBondContact O-N 2.98Å; E393-N397 PolarHBondContact O-ND2 3.09Å; A394-N397 PolarHBondContact O-N 2.76Å; N397-L399 VanDerWaalsContact C-N 3.35Å; N397-L399 PolarHBondContact O-N 3.02Å; N397-K400 PolarHBondContact O-N 3.37Å; N397-K400 PolarHBondContact OD1-NZ 3.48Å; N397-E401 WeakPolarHBondContact O-CB 3.49Å; N397-E401 PolarHBondContact O-N 3.01Å
398D92.2Very high90.4Very high9 Ų924.5 Ų24.55%0.04813%0.129CC..Hα-helixtrans-61-42.2175.2-66.2-21.1000112.1S317 R318 I319 L367 A394 E401 K402S317-D398 WeakPolarHBondContact CA-OD2 3.48Å; S317-D398 VanDerWaalsContact CB-OD1 3.27Å; S317-D398 WeakPolarHBondContact CB-OD1 3.5Å; S317-D398 PolarHBondContact OG-OD1 3.22Å; R318-D398 WeakPolarHBondContact CB-OD2 3.38Å; R318-D398 PolarHBondContact N-OD2 3.5Å; I319-D398 HydrophobicContact CD1-CB 3.88Å; I319-D398 WeakPolarHBondContact CD1-O 3.19Å; I319-D398 HydrophobicContact CG1-CB 4.27Å; L367-D398 HydrophobicContact CD1-CB 4.29Å; A394-D398 PolarHBondContact O-N 3.23Å; D398-E401 PolarHBondContact O-N 3.18Å; D398-K402 VanDerWaalsContact O-CB 3.3Å; D398-K402 WeakPolarHBondContact O-CB 3.3Å; D398-K402 PolarHBondContact O-N 3.3Å
399L93.5Very high91Very high1 Ų122.6 Ų22.61%0.00512%0.12CC..Hα-helixtrans-68.1-37.3178.1-73.2167.1000112.7L367 L368 L387 M395 R396 N397 K402 A403 F445 L507 L511L367-L399 HydrophobicContact CD2-CD2 4.03Å; L367-L399 HydrophobicContact CG-CD2 4.45Å; L368-L399 HydrophobicContact CD2-CD1 4.04Å; L368-L399 HydrophobicContact CD2-CD2 3.78Å; L368-L399 HydrophobicContact CD2-CG 4.47Å; L368-L399 HydrophobicContact CG-CD2 4.45Å; L387-L399 HydrophobicContact CD1-CD1 3.99Å; L387-L399 HydrophobicContact CD2-CD1 3.6Å; L387-L399 HydrophobicContact CG-CD1 4.45Å; M395-L399 HydrophobicContact CE-CD1 4.47Å; M395-L399 HydrophobicContact CG-CD1 4.27Å; M395-L399 WeakPolarHBondContact O-CB 3.35Å; M395-L399 WeakPolarHBondContact O-CD1 3.41Å; M395-L399 VanDerWaalsContact O-CG 3.28Å; M395-L399 WeakPolarHBondContact O-CG 3.33Å; M395-L399 PolarHBondContact O-N 2.91Å; R396-L399 PolarHBondContact O-N 3.09Å; N397-L399 VanDerWaalsContact C-N 3.35Å; N397-L399 PolarHBondContact O-N 3.02Å; L399-K402 WeakPolarHBondContact O-CB 3.47Å; L399-K402 PolarHBondContact O-N 3.32Å; L399-A403 VanDerWaalsContact O-CB 3.31Å; L399-A403 WeakPolarHBondContact O-CB 3.1Å; L399-A403 PolarHBondContact O-N 3.05Å; L399-F445 HydrophobicContact CB-CE2 4.33Å; L399-F445 HydrophobicContact CB-CZ 4.14Å; L399-F445 HydrophobicContact CD2-CE1 4.06Å; L399-F445 HydrophobicContact CD2-CE2 4.31Å; L399-F445 HydrophobicContact CD2-CZ 3.71Å; L399-F445 WeakPolarHBondContact O-CZ 3.44Å; L399-L507 HydrophobicContact CD1-CD1 3.86Å; L399-L507 HydrophobicContact CD2-CD1 4Å; L399-L511 HydrophobicContact CB-CD1 3.82Å; L399-L511 HydrophobicContact CB-CD2 3.97Å; L399-L511 HydrophobicContact CD1-CD2 4.17Å
400K92.5Very high91.7Very high24 Ų2421.1 Ų21.110%0.10411%0.112CC..Hα-helixtrans-66.3-43.5173.6-65.9159.6-174.1179.50111.6R396 N397 K402 A403 T404 L511 E515R396-K400 WeakPolarHBondContact O-CD 3.43Å; R396-K400 VanDerWaalsContact O-CG 3.25Å; R396-K400 WeakPolarHBondContact O-CG 3.24Å; R396-K400 PolarHBondContact O-N 3.21Å; R396-K400 VanDerWaalsContact O-N 3.11Å; N397-K400 PolarHBondContact O-N 3.37Å; N397-K400 PolarHBondContact OD1-NZ 3.48Å; K400-K402 VanDerWaalsContact C-N 3.34Å; K400-A403 PolarHBondContact O-N 3.17Å; K400-T404 VanDerWaalsContact O-CB 3.23Å; K400-T404 WeakPolarHBondContact O-CB 3.38Å; K400-T404 PolarHBondContact O-N 2.82Å; K400-T404 PolarHBondContact O-OG1 3.17Å; K400-L511 VanDerWaalsContact CE-O 3.3Å; K400-L511 WeakPolarHBondContact CE-O 3.38Å; K400-L511 HydrophobicContact CG-CB 4.17Å; K400-L511 HydrophobicContact CG-CD1 4.2Å; K400-L511 HydrophobicContact CG-CD2 4.47Å; K400-E515 WeakPolarHBondContact CD-OE1 3.39Å; K400-E515 WeakPolarHBondContact CE-OE1 3.41Å; K400-E515 IonicContact NZ-OE1 2.85Å; K400-E515 PolarHBondContact NZ-OE1 3.33Å
401E93.3Very high92.4Very high22 Ų2217.8 Ų17.810%0.1039%0.09CC..Hα-helixtrans-60.3-45.8174.9-17569.1-134.900110.1I319 N397 D398 A403 C405 T586 I590 S603 R606 Y607I319-E401 HydrophobicContact CD1-CB 4.14Å; I319-E401 HydrophobicContact CD1-CG 4.22Å; N397-E401 WeakPolarHBondContact O-CB 3.49Å; N397-E401 PolarHBondContact O-N 3.01Å; D398-E401 PolarHBondContact O-N 3.18Å; E401-A403 PolarHBondContact O-N 3.07Å; E401-C405 WeakPolarHBondContact O-CB 3.49Å; E401-C405 PolarHBondContact O-N 3.41Å; E401-T586 HydrophobicContact CG-CG2 4.23Å; E401-I590 HydrophobicContact CG-CD1 3.87Å; E401-S603 VanDerWaalsContact OE2-CB 3.25Å; E401-S603 WeakPolarHBondContact OE2-CB 3.24Å; E401-S603 PolarHBondContact OE2-OG 3.37Å; E401-R606 IonicContact OE1-CZ 3.72Å; E401-R606 IonicContact OE1-NH1 3.27Å; E401-R606 PolarHBondContact OE1-NH1 3.31Å; E401-R606 IonicContact OE1-NH2 3.24Å; E401-R606 PolarHBondContact OE1-NH2 3.21Å; E401-R606 IonicContact OE2-CZ 3.06Å; E401-R606 IonicContact OE2-NH2 3.45Å; E401-R606 PolarHBondContact OE2-NH2 3.28Å; E401-Y607 PolarHBondContact O-OH 3.5Å; E401-Y607 WeakPolarHBondContact OE1-CE2 3.45Å; E401-Y607 PolarHBondContact OE1-OH 2.75Å
402K95.4Very high93.1Very high1 Ų117 Ų170%0.0049%0.086CC..Hα-helixtrans-54.8-53.6175.2173.865.9-168.8161.30112.6D364 L367 D398 L399 K400 L406 F445 F584 T586D364-K402 WeakPolarHBondContact OD1-CE 3.31Å; L367-K402 HydrophobicContact CD2-CB 3.57Å; L367-K402 HydrophobicContact CD2-CD 4.16Å; L367-K402 HydrophobicContact CD2-CG 3.73Å; D398-K402 VanDerWaalsContact O-CB 3.3Å; D398-K402 WeakPolarHBondContact O-CB 3.3Å; D398-K402 PolarHBondContact O-N 3.3Å; L399-K402 WeakPolarHBondContact O-CB 3.47Å; L399-K402 PolarHBondContact O-N 3.32Å; K400-K402 VanDerWaalsContact C-N 3.34Å; K402-L406 WeakPolarHBondContact O-CB 3.35Å; K402-L406 PolarHBondContact O-N 3.43Å; K402-F445 HydrophobicContact CB-CZ 4.43Å; K402-F445 HydrophobicContact CG-CE1 3.92Å; K402-F445 HydrophobicContact CG-CZ 4.16Å; K402-F584 PolarHBondContact NZ-O 2.94Å; K402-T586 HydrophobicContact CB-CG2 4.43Å; K402-T586 HydrophobicContact CD-CG2 4.42Å; K402-T586 WeakPolarHBondContact CD-OG1 3.37Å
403A94.3Very high93.6Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-70.2-41.9-174.200000112.2L399 K400 E401 L406 K407 F445 S449 W508L399-A403 VanDerWaalsContact O-CB 3.31Å; L399-A403 WeakPolarHBondContact O-CB 3.1Å; L399-A403 PolarHBondContact O-N 3.05Å; K400-A403 PolarHBondContact O-N 3.17Å; E401-A403 PolarHBondContact O-N 3.07Å; A403-L406 PolarHBondContact O-N 3.34Å; A403-K407 PolarHBondContact O-N 2.89Å; A403-F445 HydrophobicContact CB-CE2 3.77Å; A403-F445 HydrophobicContact CB-CZ 3.74Å; A403-S449 WeakPolarHBondContact CB-OG 3.11Å; A403-W508 HydrophobicContact CB-CH2 3.88Å; A403-W508 HydrophobicContact CB-CZ2 3.2Å
404T93.7Very high94.1Very high34 Ų3411.4 Ų11.421%0.2096%0.06CC..Hα-helixtrans-68.6-38.8177.1-45.40000110.9K400 K407 H408 Y607K400-T404 VanDerWaalsContact O-CB 3.23Å; K400-T404 WeakPolarHBondContact O-CB 3.38Å; K400-T404 PolarHBondContact O-N 2.82Å; K400-T404 PolarHBondContact O-OG1 3.17Å; T404-K407 WeakPolarHBondContact O-CB 3.31Å; T404-K407 PolarHBondContact O-N 2.85Å; T404-H408 PolarHBondContact O-N 3.42Å; T404-H408 PolarHBondContact O-ND1 2.85Å; T404-Y607 HydrophobicContact CG2-CD1 3.58Å; T404-Y607 HydrophobicContact CG2-CD2 3.98Å; T404-Y607 HydrophobicContact CG2-CE1 3.43Å; T404-Y607 VanDerWaalsContact CG2-CE1 3.43Å; T404-Y607 HydrophobicContact CG2-CE2 3.92Å; T404-Y607 HydrophobicContact CG2-CG 3.87Å
405C95.5Very high94.5Very high0 Ų010.5 Ų10.50%05%0.053CC..Hα-helixtrans-64.6-42.8175.3-162.90000111.3E401 K407 H408 F409 T586 Q589 Y607E401-C405 WeakPolarHBondContact O-CB 3.49Å; E401-C405 PolarHBondContact O-N 3.41Å; C405-K407 PolarHBondContact O-N 3.49Å; C405-H408 PolarHBondContact O-N 2.94Å; C405-F409 WeakPolarHBondContact O-CB 3.4Å; C405-F409 PolarHBondContact O-N 2.66Å; C405-T586 HydrophobicContact CB-CG2 4.17Å; C405-Q589 WeakPolarHBondContact SG-CB 3.35Å; C405-Y607 WeakPolarHBondContact CA-OH 3.37Å; C405-Y607 WeakPolarHBondContact CB-OH 3.42Å; C405-Y607 PolarHBondContact N-OH 3.17Å
406L97.5Very high94.7Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-61.7-43.2175.3-177.960.6000112I360 K402 A403 H408 F409 V410 S446 V450 F584I360-L406 HydrophobicContact CG2-CD2 4.23Å; K402-L406 WeakPolarHBondContact O-CB 3.35Å; K402-L406 PolarHBondContact O-N 3.43Å; A403-L406 PolarHBondContact O-N 3.34Å; L406-H408 VanDerWaalsContact C-N 3.33Å; L406-H408 PolarHBondContact O-N 3.43Å; L406-F409 PolarHBondContact O-N 2.67Å; L406-V410 HydrophobicContact CD1-CG2 4.48Å; L406-V410 WeakPolarHBondContact O-CG2 3.47Å; L406-V410 PolarHBondContact O-N 3.05Å; L406-S446 VanDerWaalsContact CD2-OG 3.31Å; L406-S446 WeakPolarHBondContact CD2-OG 3.26Å; L406-V450 HydrophobicContact CD2-CG2 4.43Å; L406-F584 HydrophobicContact CD1-CD1 4.39Å
407K96.5Very high94.8Very high37 Ų3710.4 Ų10.416%0.1616%0.055CC..Hα-helixtrans-51.3-53.3173.4174.8-147.9163.7-148.10110.6A403 T404 C405 V410 Q411 A453 D611A403-K407 PolarHBondContact O-N 2.89Å; T404-K407 WeakPolarHBondContact O-CB 3.31Å; T404-K407 PolarHBondContact O-N 2.85Å; C405-K407 PolarHBondContact O-N 3.49Å; K407-V410 WeakPolarHBondContact O-CB 3.5Å; K407-V410 PolarHBondContact O-N 3.43Å; K407-Q411 WeakPolarHBondContact O-CG 3.28Å; K407-Q411 PolarHBondContact O-N 2.96Å; K407-Q411 VanDerWaalsContact O-N 3.09Å; K407-A453 HydrophobicContact CB-CB 4.5Å; K407-A453 HydrophobicContact CG-CB 4.04Å; K407-A453 WeakPolarHBondContact O-CB 3.14Å; K407-D611 IonicContact NZ-OD1 2.75Å; K407-D611 PolarHBondContact NZ-OD1 3.28Å; K407-D611 IonicContact NZ-OD2 3.73Å; K407-D611 PolarHBondContact NZ-OD2 2.9Å; K407-D611 VanDerWaalsContact NZ-OD2 3.17Å
408H96.2Very high94.7Very high1 Ų111.9 Ų11.91%0.0056%0.063CC..Hα-helixtrans-72.1-32-176.1-67.586.8000113.2T404 C405 L406 Q411 M412 L593 Y607 L610 D611T404-H408 PolarHBondContact O-N 3.42Å; T404-H408 PolarHBondContact O-ND1 2.85Å; C405-H408 PolarHBondContact O-N 2.94Å; L406-H408 VanDerWaalsContact C-N 3.33Å; L406-H408 PolarHBondContact O-N 3.43Å; H408-Q411 PolarHBondContact CD2-OE1 2.73Å; H408-Q411 PolarHBondContact O-N 2.8Å; H408-M412 WeakPolarHBondContact O-CB 3.05Å; H408-M412 PolarHBondContact O-N 3.3Å; H408-L593 HydrophobicContact CB-CD1 4.08Å; H408-Y607 AromaticContact CE1-CD1 3.3Å; H408-Y607 WeakPolarHBondContact CE1-CD1 3.39Å; H408-Y607 AromaticContact CE1-CE1 3.8Å; H408-Y607 AromaticContact ND1-CD1 3.4Å; H408-Y607 WeakPolarHBondContact ND1-CD1 3.23Å; H408-Y607 AromaticContact ND1-CE1 3.42Å; H408-Y607 WeakPolarHBondContact ND1-CE1 3.04Å; H408-Y607 AromaticContact NE2-CD1 3.88Å; H408-L610 HydrophobicContact CB-CD2 3.71Å; H408-D611 IonicContact NE2-OD1 3.75Å; H408-D611 PolarHBondContact NE2-OD1 2.99Å; H408-D611 IonicContact NE2-OD2 2.75Å; H408-D611 PolarHBondContact NE2-OD2 2.74Å
409F97.2Very high94.7Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-61.6-42.9172.2-175-94.4000111.5W341 L344 L348 C405 L406 S413 W430 Q589W341-F409 AromaticContact CH2-CD2 3.78Å; W341-F409 HydrophobicContact CH2-CD2 3.78Å; W341-F409 AromaticContact CH2-CE2 3.91Å; W341-F409 HydrophobicContact CH2-CE2 3.91Å; W341-F409 HydrophobicContact CZ3-CD2 4.5Å; W341-F409 HydrophobicContact CZ3-CE2 4.32Å; L344-F409 HydrophobicContact CD1-CE2 4.32Å; L348-F409 HydrophobicContact CD1-CE1 3.99Å; L348-F409 HydrophobicContact CD1-CZ 4.18Å; L348-F409 HydrophobicContact CD2-CE1 4.47Å; C405-F409 WeakPolarHBondContact O-CB 3.4Å; C405-F409 PolarHBondContact O-N 2.66Å; L406-F409 PolarHBondContact O-N 2.67Å; F409-S413 VanDerWaalsContact O-CB 3.3Å; F409-S413 WeakPolarHBondContact O-CB 3.48Å; F409-S413 PolarHBondContact O-N 3.32Å; F409-S413 PolarHBondContact O-OG 2.9Å; F409-W430 HydrophobicContact CD1-CH2 4.22Å; F409-W430 HydrophobicContact CD1-CZ2 4.19Å; F409-W430 HydrophobicContact CE1-CH2 4.31Å; F409-W430 HydrophobicContact CE1-CZ2 4.22Å; F409-Q589 HydrophobicContact CD2-CB 4.23Å; F409-Q589 HydrophobicContact CD2-CG 3.85Å; F409-Q589 HydrophobicContact CE2-CG 4.26Å; F409-Q589 HydrophobicContact CG-CG 4.15Å
410V97.8Very high94.7Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-60.4-53.5172.9173.50000110.5L406 K407 M412 S413 I414 W430 V450 A453L406-V410 HydrophobicContact CD1-CG2 4.48Å; L406-V410 WeakPolarHBondContact O-CG2 3.47Å; L406-V410 PolarHBondContact O-N 3.05Å; K407-V410 WeakPolarHBondContact O-CB 3.5Å; K407-V410 PolarHBondContact O-N 3.43Å; V410-M412 PolarHBondContact O-N 2.84Å; V410-S413 PolarHBondContact O-N 3.22Å; V410-S413 PolarHBondContact O-OG 2.89Å; V410-I414 HydrophobicContact CG1-CD1 4.17Å; V410-I414 PolarHBondContact O-N 2.92Å; V410-W430 HydrophobicContact CB-CD2 4.35Å; V410-W430 HydrophobicContact CB-CZ2 4.47Å; V410-W430 HydrophobicContact CG1-CB 4.28Å; V410-W430 HydrophobicContact CG1-CD2 3.9Å; V410-W430 HydrophobicContact CG1-CG 3.76Å; V410-W430 HydrophobicContact CG2-CD2 3.8Å; V410-W430 HydrophobicContact CG2-CE3 3.72Å; V410-W430 HydrophobicContact CG2-CH2 3.78Å; V410-W430 HydrophobicContact CG2-CZ2 3.85Å; V410-W430 HydrophobicContact CG2-CZ3 3.72Å; V410-V450 HydrophobicContact CG2-CG2 4.24Å; V410-A453 HydrophobicContact CB-CB 3.63Å; V410-A453 HydrophobicContact CG1-CB 3.54Å; V410-A453 HydrophobicContact CG2-CB 4.42Å
411Q96.7Very high94.8Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-56-47.5179.6-66.2170-69.800112K407 H408 I414 L415 A453 S456 Q458 L459 L614K407-Q411 WeakPolarHBondContact O-CG 3.28Å; K407-Q411 PolarHBondContact O-N 2.96Å; K407-Q411 VanDerWaalsContact O-N 3.09Å; H408-Q411 PolarHBondContact CD2-OE1 2.73Å; H408-Q411 PolarHBondContact O-N 2.8Å; Q411-I414 PolarHBondContact O-N 2.99Å; Q411-L415 PolarHBondContact O-N 2.61Å; Q411-A453 HydrophobicContact CG-CB 4.01Å; Q411-S456 VanDerWaalsContact NE2-CB 3.31Å; Q411-S456 PolarHBondContact NE2-OG 2.94Å; Q411-Q458 VanDerWaalsContact NE2-OE1 3.1Å; Q411-L459 HydrophobicContact CG-CD1 4.22Å; Q411-L459 HydrophobicContact CG-CG 4.31Å; Q411-L614 HydrophobicContact CB-CD1 4.02Å; Q411-L614 HydrophobicContact CB-CD2 3.82Å
412M95.6Very high94.8Very high0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-66.5-38.8178.4-80.1-53.7-39.700113.2M336 W341 H408 V410 I414 L415 S416 L593 L610 L613 L614 L617M336-M412 HydrophobicContact CE-CE 3.55Å; M336-M412 HydrophobicContact CG-CE 3.81Å; M336-M412 HydrophobicContact CG-SD 4.39Å; M336-M412 HydrophobicContact SD-CE 3.5Å; M336-M412 VanDerWaalsContact SD-CE 3.5Å; M336-M412 HydrophobicContact SD-SD 3.83Å; W341-M412 HydrophobicContact CH2-CB 3.6Å; W341-M412 HydrophobicContact CZ2-CB 4.07Å; W341-M412 HydrophobicContact CZ3-CB 3.99Å; H408-M412 WeakPolarHBondContact O-CB 3.05Å; H408-M412 PolarHBondContact O-N 3.3Å; V410-M412 PolarHBondContact O-N 2.84Å; M412-I414 PolarHBondContact O-N 2.82Å; M412-L415 PolarHBondContact O-N 3.08Å; M412-S416 WeakPolarHBondContact O-CB 3.41Å; M412-S416 PolarHBondContact O-N 2.52Å; M412-S416 PolarHBondContact O-OG 3.19Å; M412-L593 HydrophobicContact CB-CD2 3.85Å; M412-L593 HydrophobicContact CG-CD2 3.48Å; M412-L593 VanDerWaalsContact CG-CD2 3.48Å; M412-L610 HydrophobicContact CG-CD1 4.44Å; M412-L610 HydrophobicContact SD-CD1 4.27Å; M412-L613 HydrophobicContact SD-CD2 4.43Å; M412-L614 HydrophobicContact CG-CD2 3.94Å; M412-L614 HydrophobicContact SD-CD2 3.36Å; M412-L614 WeakPolarHBondContact SD-CD2 3.29Å; M412-L614 HydrophobicContact SD-CG 4.1Å; M412-L617 HydrophobicContact CE-CD1 3.93Å; M412-L617 HydrophobicContact SD-CD1 4.06Å
413S96.1Very high94.8Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-61.6-31178.672.80000112.7R345 F409 V410 W430R345-S413 WeakPolarHBondContact CD-O 3.3Å; F409-S413 VanDerWaalsContact O-CB 3.3Å; F409-S413 WeakPolarHBondContact O-CB 3.48Å; F409-S413 PolarHBondContact O-N 3.32Å; F409-S413 PolarHBondContact O-OG 2.9Å; V410-S413 PolarHBondContact O-N 3.22Å; V410-S413 PolarHBondContact O-OG 2.89Å; S413-W430 PolarHBondContact OG-NE1 3.26Å
414I97Very high94.9Very high0 Ų020.1 Ų20.10%011%0.11CC..Hα-helixtrans-78.7-59.6174.1-63.8162000109.7V410 Q411 M412 S416 A417 R423 M426 M427 L454 L459V410-I414 HydrophobicContact CG1-CD1 4.17Å; V410-I414 PolarHBondContact O-N 2.92Å; Q411-I414 PolarHBondContact O-N 2.99Å; M412-I414 PolarHBondContact O-N 2.82Å; I414-S416 VanDerWaalsContact C-N 3.28Å; I414-S416 PolarHBondContact O-N 3.2Å; I414-A417 WeakPolarHBondContact O-CB 3.37Å; I414-A417 PolarHBondContact O-N 3.49Å; I414-R423 WeakPolarHBondContact O-CG 3.29Å; I414-M426 HydrophobicContact CB-CG 4.41Å; I414-M426 HydrophobicContact CG1-CB 4.01Å; I414-M426 HydrophobicContact CG1-CG 3.58Å; I414-M427 HydrophobicContact CD1-CG 3.91Å; I414-M427 HydrophobicContact CG1-CG 4.17Å; I414-M427 HydrophobicContact CG2-CG 3.76Å; I414-M427 HydrophobicContact CG2-SD 4.35Å; I414-L454 HydrophobicContact CD1-CD2 4.31Å; I414-L459 HydrophobicContact CB-CD2 4.45Å; I414-L459 HydrophobicContact CD1-CD1 3.58Å; I414-L459 HydrophobicContact CG2-CD2 4.2Å
415L95.3Very high95.1Very high0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-67.3-25.4-171-71.9168.3000114.3Q411 M412 A417 L459 L462 L614 L617 A618 R621Q411-L415 PolarHBondContact O-N 2.61Å; M412-L415 PolarHBondContact O-N 3.08Å; L415-A417 VanDerWaalsContact C-N 3.28Å; L415-A417 PolarHBondContact O-N 2.78Å; L415-L459 HydrophobicContact CD1-CD2 4.01Å; L415-L459 HydrophobicContact CD2-CD2 4.3Å; L415-L459 HydrophobicContact CG-CD2 3.91Å; L415-L462 HydrophobicContact CD2-CD1 3.98Å; L415-L462 HydrophobicContact CD2-CD2 4.38Å; L415-L614 HydrophobicContact CD1-CD2 3.63Å; L415-L617 HydrophobicContact CB-CB 4.41Å; L415-L617 HydrophobicContact CB-CD1 4.47Å; L415-L617 HydrophobicContact CD1-CB 4.46Å; L415-A618 HydrophobicContact CD1-CB 4.26Å; L415-A618 HydrophobicContact CD2-CB 4.08Å; L415-R621 HydrophobicContact CD2-CB 4.43Å; L415-R621 HydrophobicContact CD2-CG 4.18Å; L415-R621 PolarHBondContact O-NE 2.69Å
416S92.1Very high95.2Very high18 Ų1822.3 Ų22.313%0.12612%0.117CC..THydrogen-bonded Turntrans-75.7-7.9174.268.20000114.5R345 M412 I414R345-S416 VanDerWaalsContact CZ-O 3.27Å; R345-S416 PolarHBondContact NE-O 3.27Å; R345-S416 PolarHBondContact NH2-O 3.1Å; M412-S416 WeakPolarHBondContact O-CB 3.41Å; M412-S416 PolarHBondContact O-N 2.52Å; M412-S416 PolarHBondContact O-OG 3.19Å; I414-S416 VanDerWaalsContact C-N 3.28Å; I414-S416 PolarHBondContact O-N 3.2Å
417A92.1Very high95.2Very high0 Ų022.3 Ų22.30%012%0.117CC..  trans-74.8136.7176.900000112.6I414 L415 D422 R423 R621I414-A417 WeakPolarHBondContact O-CB 3.37Å; I414-A417 PolarHBondContact O-N 3.49Å; L415-A417 VanDerWaalsContact C-N 3.28Å; L415-A417 PolarHBondContact O-N 2.78Å; A417-D422 HydrophobicContact CB-CB 4.15Å; A417-R423 HydrophobicContact CB-CG 3.65Å; A417-R423 PolarHBondContact O-NH1 2.75Å; A417-R621 PolarHBondContact O-NH2 2.71Å
418D88.7Confident95.3Very high103 Ų10321 Ų2155%0.55111%0.112SC*.SBendtrans-76.7-45.7-166.6-46.5-76000111.8R345 R423R345-D418 IonicContact CZ-OD2 2.74Å; R345-D418 VanDerWaalsContact CZ-OD2 3.23Å; R345-D418 IonicContact NH1-OD2 3.61Å; R345-D418 PolarHBondContact NH1-OD2 3.23Å; R345-D418 IonicContact NH2-OD1 3.7Å; R345-D418 IonicContact NH2-OD2 2.72Å; R345-D418 PolarHBondContact NH2-OD2 3.11Å; D418-R423 PolarHBondContact O-NH1 3.35Å
419T92.1Very high95.3Very high64 Ų6422.2 Ų22.239%0.39312%0.117SC..SBendtrans-94.9149.5179.579.40000111.6L421 D422 R423T419-L421 PolarHBondContact O-N 3.24Å; T419-D422 PolarHBondContact O-N 2.76Å; T419-D422 WeakPolarHBondContact OG1-CB 3.31Å; T419-D422 PolarHBondContact OG1-N 3.12Å; T419-D422 PolarHBondContact OG1-OD2 3.41Å; T419-R423 WeakPolarHBondContact O-CG 3.48Å; T419-R423 PolarHBondContact O-N 2.85Å; T419-R423 VanDerWaalsContact O-N 3.1Å
420L93.1Very high95.4Very high33 Ų3322.3 Ų22.317%0.17312%0.117CC..Hα-helixtrans-55.4-42.6171.1169.957.4000111.4D422 R423 I424 H465 L625L420-D422 VanDerWaalsContact C-N 3.34Å; L420-D422 PolarHBondContact O-N 3.34Å; L420-R423 WeakPolarHBondContact O-CB 3.28Å; L420-R423 PolarHBondContact O-N 2.79Å; L420-I424 HydrophobicContact CD1-CD1 3.66Å; L420-I424 HydrophobicContact CD1-CG1 3.95Å; L420-I424 HydrophobicContact CD2-CD1 4.5Å; L420-I424 HydrophobicContact CG-CD1 3.7Å; L420-I424 HydrophobicContact CG-CG1 4.46Å; L420-I424 WeakPolarHBondContact O-CD1 3.28Å; L420-I424 WeakPolarHBondContact O-CG1 3.43Å; L420-I424 PolarHBondContact O-N 2.71Å; L420-H465 WeakPolarHBondContact CD1-CD2 3.47Å; L420-L625 HydrophobicContact CB-CD2 4.19Å; L420-L625 HydrophobicContact CD1-CD1 3.95Å; L420-L625 HydrophobicContact CD2-CD1 4.08Å; L420-L625 HydrophobicContact CD2-CD2 3.93Å; L420-L625 HydrophobicContact CG-CD1 4.46Å
421L93.7Very high95.4Very high85 Ų8522.3 Ų22.345%0.44512%0.117SC..Hα-helixtrans-59.8-42.5179.7-179.861.7000112.1T419 I424 K425T419-L421 PolarHBondContact O-N 3.24Å; L421-I424 PolarHBondContact O-N 3.07Å; L421-K425 VanDerWaalsContact O-CG 3.31Å; L421-K425 WeakPolarHBondContact O-CG 3.5Å; L421-K425 PolarHBondContact O-N 3.07Å
422D94.6Very high95.5Very high39 Ų3925.3 Ų25.321%0.20913%0.131CC..Hα-helixtrans-74-29.3178.6-58.3-40.9000112.2A417 T419 L420 K425 M426A417-D422 HydrophobicContact CB-CB 4.15Å; T419-D422 PolarHBondContact O-N 2.76Å; T419-D422 WeakPolarHBondContact OG1-CB 3.31Å; T419-D422 PolarHBondContact OG1-N 3.12Å; T419-D422 PolarHBondContact OG1-OD2 3.41Å; L420-D422 VanDerWaalsContact C-N 3.34Å; L420-D422 PolarHBondContact O-N 3.34Å; D422-K425 IonicContact OD1-NZ 2.57Å; D422-K425 PolarHBondContact OD1-NZ 3.16Å; D422-M426 WeakPolarHBondContact O-CB 3.35Å; D422-M426 PolarHBondContact O-N 3.06Å
423R95.9Very high95.6Very high6 Ų625.3 Ų25.32%0.02313%0.131CC..Hα-helixtrans-62.3-47.2168.7-68-168.4-68.6-91.29111.3I414 A417 D418 T419 L420 M426 M427 H465I414-R423 WeakPolarHBondContact O-CG 3.29Å; A417-R423 HydrophobicContact CB-CG 3.65Å; A417-R423 PolarHBondContact O-NH1 2.75Å; D418-R423 PolarHBondContact O-NH1 3.35Å; T419-R423 WeakPolarHBondContact O-CG 3.48Å; T419-R423 PolarHBondContact O-N 2.85Å; T419-R423 VanDerWaalsContact O-N 3.1Å; L420-R423 WeakPolarHBondContact O-CB 3.28Å; L420-R423 PolarHBondContact O-N 2.79Å; R423-M426 PolarHBondContact O-N 3.08Å; R423-M427 WeakPolarHBondContact O-CG 3.38Å; R423-M427 PolarHBondContact O-N 2.84Å; R423-H465 PolarHBondContact NE-NE2 3.17Å
424I96.5Very high95.7Very high2 Ų225.3 Ų25.31%0.0113%0.131CC..Hα-helixtrans-62.5-47.4176.6-64.5155.4000111L420 L421 M426 M427 T428 H468 L469L420-I424 HydrophobicContact CD1-CD1 3.66Å; L420-I424 HydrophobicContact CD1-CG1 3.95Å; L420-I424 HydrophobicContact CD2-CD1 4.5Å; L420-I424 HydrophobicContact CG-CD1 3.7Å; L420-I424 HydrophobicContact CG-CG1 4.46Å; L420-I424 WeakPolarHBondContact O-CD1 3.28Å; L420-I424 WeakPolarHBondContact O-CG1 3.43Å; L420-I424 PolarHBondContact O-N 2.71Å; L421-I424 PolarHBondContact O-N 3.07Å; I424-M426 VanDerWaalsContact C-N 3.26Å; I424-M426 PolarHBondContact O-N 3.1Å; I424-M427 PolarHBondContact O-N 3.38Å; I424-T428 WeakPolarHBondContact O-CB 3.32Å; I424-T428 PolarHBondContact O-N 2.83Å; I424-T428 PolarHBondContact O-OG1 3.46Å; I424-H468 HydrophobicContact CD1-CB 3.46Å; I424-H468 VanDerWaalsContact CD1-CB 3.46Å; I424-H468 HydrophobicContact CG1-CB 4.19Å; I424-L469 HydrophobicContact CG2-CB 4.46Å
425K96.7Very high95.7Very high80 Ų8026.8 Ų26.835%0.34814%0.139SC..Hα-helixtrans-56.6-40.7175.6-72.3172.1-167.3152.70112.1L349 L421 D422 K429L349-K425 HydrophobicContact CD2-CB 3.8Å; L421-K425 VanDerWaalsContact O-CG 3.31Å; L421-K425 WeakPolarHBondContact O-CG 3.5Å; L421-K425 PolarHBondContact O-N 3.07Å; D422-K425 IonicContact OD1-NZ 2.57Å; D422-K425 PolarHBondContact OD1-NZ 3.16Å; K425-K429 WeakPolarHBondContact O-CB 3.28Å; K425-K429 PolarHBondContact O-N 3.44Å
426M97.3Very high95.7Very high1 Ų127.8 Ų27.81%0.00514%0.144CC..Hα-helixtrans-68.8-42.7178.3-167.562.168.600111.8R345 L348 L349 I414 D422 R423 I424 T428 K429 W430R345-M426 HydrophobicContact CB-CE 4.09Å; R345-M426 HydrophobicContact CG-CE 4.03Å; L348-M426 HydrophobicContact CB-CE 4.07Å; L348-M426 HydrophobicContact CB-SD 4.26Å; L348-M426 HydrophobicContact CD1-CE 4.46Å; L348-M426 HydrophobicContact CD1-SD 4.47Å; L349-M426 HydrophobicContact CD1-CE 4.27Å; L349-M426 HydrophobicContact CD2-CE 3.93Å; L349-M426 HydrophobicContact CD2-SD 4.42Å; L349-M426 HydrophobicContact CG-CE 3.74Å; I414-M426 HydrophobicContact CB-CG 4.41Å; I414-M426 HydrophobicContact CG1-CB 4.01Å; I414-M426 HydrophobicContact CG1-CG 3.58Å; D422-M426 WeakPolarHBondContact O-CB 3.35Å; D422-M426 PolarHBondContact O-N 3.06Å; R423-M426 PolarHBondContact O-N 3.08Å; I424-M426 VanDerWaalsContact C-N 3.26Å; I424-M426 PolarHBondContact O-N 3.1Å; M426-T428 PolarHBondContact O-N 3.33Å; M426-K429 PolarHBondContact O-N 3.29Å; M426-W430 PolarHBondContact O-N 2.76Å
427M97.8Very high95.8Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-58.4-47.7172.6-70.4172.372.200111.4I414 R423 I424 K429 W430 I431 H465 W466 L469I414-M427 HydrophobicContact CD1-CG 3.91Å; I414-M427 HydrophobicContact CG1-CG 4.17Å; I414-M427 HydrophobicContact CG2-CG 3.76Å; I414-M427 HydrophobicContact CG2-SD 4.35Å; R423-M427 WeakPolarHBondContact O-CG 3.38Å; R423-M427 PolarHBondContact O-N 2.84Å; I424-M427 PolarHBondContact O-N 3.38Å; M427-K429 PolarHBondContact O-N 3.35Å; M427-W430 PolarHBondContact O-N 3.4Å; M427-I431 WeakPolarHBondContact O-CG1 3.39Å; M427-I431 PolarHBondContact O-N 3.26Å; M427-H465 HydrophobicContact CE-CB 4.46Å; M427-H465 HydrophobicContact SD-CB 3.93Å; M427-W466 HydrophobicContact CE-CD2 3.59Å; M427-W466 VanDerWaalsContact CE-CE2 3.41Å; M427-W466 HydrophobicContact CE-CE3 3.94Å; M427-W466 HydrophobicContact CE-CG 4.12Å; M427-W466 HydrophobicContact CE-CH2 4.01Å; M427-W466 HydrophobicContact CE-CZ2 3.65Å; M427-W466 HydrophobicContact CE-CZ3 4.14Å; M427-L469 HydrophobicContact CB-CD1 3.62Å; M427-L469 HydrophobicContact CE-CD1 4.07Å
428T97.7Very high95.8Very high10 Ų1029 Ų296%0.06115%0.146CC..Hα-helixtrans-55.3-49.6174.2-72.30000111.5I424 M426 W430 I431 E432 V476I424-T428 WeakPolarHBondContact O-CB 3.32Å; I424-T428 PolarHBondContact O-N 2.83Å; I424-T428 PolarHBondContact O-OG1 3.46Å; M426-T428 PolarHBondContact O-N 3.33Å; T428-W430 VanDerWaalsContact C-N 3.34Å; T428-W430 PolarHBondContact O-N 3.11Å; T428-I431 PolarHBondContact O-N 2.64Å; T428-E432 WeakPolarHBondContact O-CG 3.35Å; T428-E432 PolarHBondContact O-N 2.69Å; T428-V476 HydrophobicContact CG2-CG1 4.24Å; T428-V476 HydrophobicContact CG2-CG2 4.11Å
429K98Very high95.9Very high26 Ų2627.7 Ų27.711%0.11314%0.139CC..Hα-helixtrans-56.8-44.5177.7-172.873.768.2167.40112L348 L349 A351 L356 K425 M426 M427 E432 V433L348-K429 VanDerWaalsContact O-CE 3.32Å; L348-K429 WeakPolarHBondContact O-CE 3.34Å; L349-K429 WeakPolarHBondContact O-CE 3.44Å; L349-K429 PolarHBondContact O-NZ 3.04Å; A351-K429 PolarHBondContact O-NZ 3.39Å; L356-K429 HydrophobicContact CD1-CD 4.12Å; L356-K429 HydrophobicContact CD1-CG 4.03Å; K425-K429 WeakPolarHBondContact O-CB 3.28Å; K425-K429 PolarHBondContact O-N 3.44Å; M426-K429 PolarHBondContact O-N 3.29Å; M427-K429 PolarHBondContact O-N 3.35Å; K429-E432 PolarHBondContact O-N 3.01Å; K429-V433 VanDerWaalsContact O-CG2 3.29Å; K429-V433 WeakPolarHBondContact O-CG2 3.34Å; K429-V433 PolarHBondContact O-N 3.21Å
430W98.4Very high95.7Very high1 Ų131.2 Ų31.20%0.00415%0.148CC..Hα-helixtrans-70.5-33-179.6-73.9117000113.7L348 I360 F409 V410 S413 M426 M427 T428 V433 A434 V450 L454 F584L348-W430 HydrophobicContact CD1-CZ2 4.36Å; L348-W430 HydrophobicContact CD2-CZ2 4.44Å; I360-W430 HydrophobicContact CD1-CZ3 4.2Å; F409-W430 HydrophobicContact CD1-CH2 4.22Å; F409-W430 HydrophobicContact CD1-CZ2 4.19Å; F409-W430 HydrophobicContact CE1-CH2 4.31Å; F409-W430 HydrophobicContact CE1-CZ2 4.22Å; V410-W430 HydrophobicContact CB-CD2 4.35Å; V410-W430 HydrophobicContact CB-CZ2 4.47Å; V410-W430 HydrophobicContact CG1-CB 4.28Å; V410-W430 HydrophobicContact CG1-CD2 3.9Å; V410-W430 HydrophobicContact CG1-CG 3.76Å; V410-W430 HydrophobicContact CG2-CD2 3.8Å; V410-W430 HydrophobicContact CG2-CE3 3.72Å; V410-W430 HydrophobicContact CG2-CH2 3.78Å; V410-W430 HydrophobicContact CG2-CZ2 3.85Å; V410-W430 HydrophobicContact CG2-CZ3 3.72Å; S413-W430 PolarHBondContact OG-NE1 3.26Å; M426-W430 PolarHBondContact O-N 2.76Å; M427-W430 PolarHBondContact O-N 3.4Å; T428-W430 VanDerWaalsContact C-N 3.34Å; T428-W430 PolarHBondContact O-N 3.11Å; W430-V433 HydrophobicContact CE3-CB 4.17Å; W430-V433 HydrophobicContact CE3-CG1 4.06Å; W430-V433 HydrophobicContact CE3-CG2 4.49Å; W430-V433 HydrophobicContact CZ3-CG1 4.16Å; W430-V433 PolarHBondContact O-N 3.27Å; W430-A434 WeakPolarHBondContact O-CB 3.43Å; W430-A434 PolarHBondContact O-N 2.88Å; W430-V450 HydrophobicContact CB-CG1 4.32Å; W430-V450 HydrophobicContact CE3-CG1 4.19Å; W430-V450 HydrophobicContact CE3-CG2 4.31Å; W430-V450 HydrophobicContact CZ3-CG2 4.42Å; W430-L454 HydrophobicContact CB-CD1 4.48Å; W430-L454 HydrophobicContact CB-CD2 4.25Å; W430-F584 HydrophobicContact CH2-CE1 4.02Å; W430-F584 HydrophobicContact CH2-CZ 4.44Å; W430-F584 HydrophobicContact CZ3-CE1 4.48Å
431I98.3Very high95.5Very high0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-64.9-43.6171.7-65.9163.2000110.4M427 T428 A434 D435 L454 W466 L469 V476 L479 Y480 L484M427-I431 WeakPolarHBondContact O-CG1 3.39Å; M427-I431 PolarHBondContact O-N 3.26Å; T428-I431 PolarHBondContact O-N 2.64Å; I431-A434 PolarHBondContact O-N 2.97Å; I431-D435 PolarHBondContact O-N 3.29Å; I431-L454 HydrophobicContact CG1-CD1 3.8Å; I431-L454 HydrophobicContact CG1-CD2 4.45Å; I431-W466 HydrophobicContact CD1-CH2 4.49Å; I431-W466 HydrophobicContact CD1-CZ3 4.2Å; I431-L469 HydrophobicContact CD1-CD1 3.91Å; I431-L469 HydrophobicContact CD1-CD2 4.24Å; I431-V476 HydrophobicContact CB-CG1 3.67Å; I431-V476 HydrophobicContact CD1-CG1 3.95Å; I431-V476 HydrophobicContact CG1-CG1 4.42Å; I431-V476 HydrophobicContact CG2-CG1 3.47Å; I431-V476 VanDerWaalsContact CG2-CG1 3.47Å; I431-L479 HydrophobicContact CG2-CD2 4.39Å; I431-L479 HydrophobicContact CG2-CG 4.46Å; I431-Y480 HydrophobicContact CD1-CG 4.32Å; I431-Y480 HydrophobicContact CG1-CD2 4.21Å; I431-Y480 HydrophobicContact CG1-CG 4.39Å; I431-L484 HydrophobicContact CG2-CD1 4.08Å
432E98.1Very high95.3Very high64 Ų6426.8 Ų26.830%0.29913%0.125SC..Hα-helixtrans-61.1-44.5173.7-68172.5175.300111.6A353 T428 K429 A434 D435 Q436A353-E432 HydrophobicContact CB-CB 3.56Å; T428-E432 WeakPolarHBondContact O-CG 3.35Å; T428-E432 PolarHBondContact O-N 2.69Å; K429-E432 PolarHBondContact O-N 3.01Å; E432-A434 VanDerWaalsContact C-N 3.35Å; E432-A434 PolarHBondContact O-N 2.89Å; E432-D435 WeakPolarHBondContact O-CB 3.45Å; E432-D435 PolarHBondContact O-N 3.23Å; E432-Q436 WeakPolarHBondContact O-CG 3.45Å; E432-Q436 PolarHBondContact O-N 3.34Å
433V98.3Very high95.2Very high0 Ų024.9 Ų24.90%012%0.115CC..Hα-helixtrans-60.7-42.2176.4168.30000111.4A353 L356 A357 I360 K429 W430 D435 Q436 L437A353-V433 HydrophobicContact CB-CG2 3.89Å; L356-V433 HydrophobicContact CB-CG2 3.87Å; L356-V433 HydrophobicContact CD1-CG2 3.99Å; A357-V433 HydrophobicContact CB-CG1 4.36Å; I360-V433 HydrophobicContact CD1-CG1 3.78Å; K429-V433 VanDerWaalsContact O-CG2 3.29Å; K429-V433 WeakPolarHBondContact O-CG2 3.34Å; K429-V433 PolarHBondContact O-N 3.21Å; W430-V433 HydrophobicContact CE3-CB 4.17Å; W430-V433 HydrophobicContact CE3-CG1 4.06Å; W430-V433 HydrophobicContact CE3-CG2 4.49Å; W430-V433 HydrophobicContact CZ3-CG1 4.16Å; W430-V433 PolarHBondContact O-N 3.27Å; V433-D435 VanDerWaalsContact C-N 3.35Å; V433-D435 PolarHBondContact O-N 3.26Å; V433-Q436 PolarHBondContact O-N 3.18Å; V433-L437 HydrophobicContact CG1-CD1 3.86Å; V433-L437 HydrophobicContact CG1-CG 4.26Å; V433-L437 WeakPolarHBondContact O-CB 3.41Å; V433-L437 VanDerWaalsContact O-CG 3.3Å; V433-L437 WeakPolarHBondContact O-CG 3.43Å; V433-L437 PolarHBondContact O-N 2.86Å
434A97.9Very high94.9Very high0 Ų026.1 Ų26.10%012%0.122CC..Hα-helixtrans-61.6-41.2175.600000112.2W430 I431 E432 L437 R438 F447 V450 M451 L484W430-A434 WeakPolarHBondContact O-CB 3.43Å; W430-A434 PolarHBondContact O-N 2.88Å; I431-A434 PolarHBondContact O-N 2.97Å; E432-A434 VanDerWaalsContact C-N 3.35Å; E432-A434 PolarHBondContact O-N 2.89Å; A434-L437 PolarHBondContact O-N 3.22Å; A434-R438 PolarHBondContact O-N 2.96Å; A434-F447 HydrophobicContact CB-CD2 4.13Å; A434-F447 HydrophobicContact CB-CE2 4.38Å; A434-F447 WeakPolarHBondContact O-CD2 3.48Å; A434-V450 HydrophobicContact CB-CG1 4.01Å; A434-M451 HydrophobicContact CB-SD 4.11Å; A434-L484 HydrophobicContact CB-CD1 3.99Å
435D96.3Very high94.7Very high31 Ų3126 Ų2617%0.16612%0.121CC..Hα-helixtrans-61.4-43.9172.4174.677.8000112.4I431 E432 V433 N439 L479 L484I431-D435 PolarHBondContact O-N 3.29Å; E432-D435 WeakPolarHBondContact O-CB 3.45Å; E432-D435 PolarHBondContact O-N 3.23Å; V433-D435 VanDerWaalsContact C-N 3.35Å; V433-D435 PolarHBondContact O-N 3.26Å; D435-N439 WeakPolarHBondContact O-CB 3.22Å; D435-N439 PolarHBondContact O-N 2.84Å; D435-N439 PolarHBondContact OD1-ND2 3.34Å; D435-L479 HydrophobicContact CB-CD2 3.97Å; D435-L484 HydrophobicContact CB-CD1 4.28Å; D435-L484 HydrophobicContact CB-CD2 4.35Å
436Q96.1Very high94.7Very high21 Ų2122.2 Ų22.210%0.09811%0.105CC..Hα-helixtrans-64.7-43.2176.9-60.5-48.4-97.900112.4A353 A357 E432 V433 K440 L441A353-Q436 HydrophobicContact CB-CG 4.13Å; A357-Q436 HydrophobicContact CB-CB 3.58Å; E432-Q436 WeakPolarHBondContact O-CG 3.45Å; E432-Q436 PolarHBondContact O-N 3.34Å; V433-Q436 PolarHBondContact O-N 3.18Å; Q436-K440 PolarHBondContact O-N 2.85Å; Q436-K440 VanDerWaalsContact O-N 3.14Å; Q436-L441 PolarHBondContact O-N 2.97Å
437L95.1Very high94.6Very high0 Ų022.2 Ų22.20%011%0.105CC..Iπ-helixtrans-58.7-48.1178-74.7168.8000111.1A357 I360 V433 A434 L441 G442 N443 F447 V450A357-L437 HydrophobicContact CB-CD2 3.99Å; A357-L437 HydrophobicContact CB-CG 3.96Å; I360-L437 HydrophobicContact CB-CD2 4.2Å; I360-L437 HydrophobicContact CD1-CD1 4.29Å; I360-L437 HydrophobicContact CG2-CD2 3.89Å; V433-L437 HydrophobicContact CG1-CD1 3.86Å; V433-L437 HydrophobicContact CG1-CG 4.26Å; V433-L437 WeakPolarHBondContact O-CB 3.41Å; V433-L437 VanDerWaalsContact O-CG 3.3Å; V433-L437 WeakPolarHBondContact O-CG 3.43Å; V433-L437 PolarHBondContact O-N 2.86Å; A434-L437 PolarHBondContact O-N 3.22Å; L437-L441 CarbonylContact O-C 3.42Å; L437-G442 PolarHBondContact O-N 2.87Å; L437-N443 HydrophobicContact CD2-CB 4.04Å; L437-N443 PolarHBondContact O-N 3.04Å; L437-F447 HydrophobicContact CB-CB 4.09Å; L437-V450 HydrophobicContact CD1-CG2 4.03Å
438R91.7Very high94.3Very high43 Ų4322.5 Ų22.516%0.16211%0.107CC..Iπ-helixtrans-70.6-62.8177.5-178.3-169169.5-163.30.5112.4A434 G442 L444 F447 K483 F487A434-R438 PolarHBondContact O-N 2.96Å; R438-G442 WeakPolarHBondContact O-CA 3.43Å; R438-G442 PolarHBondContact O-N 3.4Å; R438-L444 HydrophobicContact CG-CD2 4.43Å; R438-F447 HydrophobicContact CB-CD2 3.8Å; R438-F447 HydrophobicContact CB-CE2 4.1Å; R438-F447 HydrophobicContact CB-CG 4.15Å; R438-K483 PolarHBondContact NH1-O 2.87Å; R438-F487 HydrophobicContact CG-CD1 4.45Å; R438-F487 HydrophobicContact CG-CE1 4.24Å
439N89.8Confident94.2Very high76 Ų7622 Ų2241%0.40610%0.104SC..Iπ-helixtrans-87.6-18.1-159.8-68.1-33.1000114.3D435D435-N439 WeakPolarHBondContact O-CB 3.22Å; D435-N439 PolarHBondContact O-N 2.84Å; D435-N439 PolarHBondContact OD1-ND2 3.34Å
440K89Confident94.2Very high137 Ų13720.8 Ų20.860%0.59610%0.098SC*.Iπ-helixtrans-112.1-41.3176.3-61.7-165.2-171.3164.20113.6Q436Q436-K440 PolarHBondContact O-N 2.85Å; Q436-K440 VanDerWaalsContact O-N 3.14Å
441L89Confident94Very high25 Ų2520.8 Ų20.813%0.13110%0.099CC..Iπ-helixtrans-96.7-20.4-175.3-60.8177.8000113.2A357 R358 T361 Q436 L437 N443 S503A357-L441 HydrophobicContact CB-CD1 3.67Å; A357-L441 WeakPolarHBondContact O-CD1 3.49Å; R358-L441 HydrophobicContact CG-CD1 4.03Å; R358-L441 HydrophobicContact CG-CD2 4.06Å; T361-L441 WeakPolarHBondContact OG1-CD1 3.23Å; Q436-L441 PolarHBondContact O-N 2.97Å; L437-L441 CarbonylContact O-C 3.42Å; L441-N443 PolarHBondContact O-N 3.43Å; L441-S503 WeakPolarHBondContact O-CB 3.34Å
442G88.6Confident93.7Very high0 Ų022 Ų220%011%0.109CC..  trans61.529.1-175.400000113.3L437 R438 L444 P502 S503 I504L437-G442 PolarHBondContact O-N 2.87Å; R438-G442 WeakPolarHBondContact O-CA 3.43Å; R438-G442 PolarHBondContact O-N 3.4Å; G442-L444 PolarHBondContact O-N 3.27Å; G442-P502 CarbonylContact O-C 3.54Å; G442-P502 WeakPolarHBondContact O-CA 3.49Å; G442-P502 VanDerWaalsContact O-CB 3.26Å; G442-P502 WeakPolarHBondContact O-CB 3.34Å; G442-S503 PolarHBondContact O-N 3.34Å; G442-I504 PolarHBondContact O-N 3.18Å; G442-I504 VanDerWaalsContact O-O 3.1Å
443N91.8Very high93.7Very high0 Ų019 Ų190%010%0.095CC..BIsolated β-bridgetrans-91.586.8175.3179.3-4.3000109.2T361 D364 L437 L441 S446 F447T361-N443 WeakPolarHBondContact CA-ND2 3.23Å; T361-N443 HydrophobicContact CG2-CB 4.11Å; T361-N443 PolarHBondContact OG1-ND2 3.46Å; D364-N443 PolarHBondContact OD2-ND2 2.83Å; L437-N443 HydrophobicContact CD2-CB 4.04Å; L437-N443 PolarHBondContact O-N 3.04Å; L441-N443 PolarHBondContact O-N 3.43Å; N443-S446 PolarHBondContact OD1-N 2.89Å; N443-S446 VanDerWaalsContact OD1-N 3.08Å; N443-F447 VanDerWaalsContact O-CB 3.23Å; N443-F447 WeakPolarHBondContact O-CB 3.42Å; N443-F447 PolarHBondContact O-N 2.74Å
444L90.3Very high93.6Very high31 Ų3119 Ų1916%0.16210%0.095CC..Hα-helixtrans-73.6-34.5-176.7-57-175.3000111.8R438 G442 F447 S448 F487 P502 I504 D506R438-L444 HydrophobicContact CG-CD2 4.43Å; G442-L444 PolarHBondContact O-N 3.27Å; L444-F447 WeakPolarHBondContact O-CB 3.4Å; L444-F447 PolarHBondContact O-N 3.4Å; L444-S448 WeakPolarHBondContact O-CB 3.48Å; L444-S448 PolarHBondContact O-N 3.28Å; L444-S448 PolarHBondContact O-OG 3.18Å; L444-F487 HydrophobicContact CD2-CE1 4.09Å; L444-F487 HydrophobicContact CD2-CZ 4.22Å; L444-P502 HydrophobicContact CD1-CB 3.75Å; L444-P502 HydrophobicContact CD1-CG 3.99Å; L444-P502 HydrophobicContact CG-CB 3.86Å; L444-I504 WeakPolarHBondContact CB-O 3.26Å; L444-I504 PolarHBondContact N-O 3.3Å; L444-D506 HydrophobicContact CB-CB 4.13Å
445F92.4Very high93.3Very high0 Ų020.5 Ų20.50%011%0.111CC..Hα-helixtrans-55.7-53.7177171.9-111.6000113.8D364 L399 K402 A403 S449 I504 L507 L511D364-F445 HydrophobicContact CB-CD1 4.43Å; L399-F445 HydrophobicContact CB-CE2 4.33Å; L399-F445 HydrophobicContact CB-CZ 4.14Å; L399-F445 HydrophobicContact CD2-CE1 4.06Å; L399-F445 HydrophobicContact CD2-CE2 4.31Å; L399-F445 HydrophobicContact CD2-CZ 3.71Å; L399-F445 WeakPolarHBondContact O-CZ 3.44Å; K402-F445 HydrophobicContact CB-CZ 4.43Å; K402-F445 HydrophobicContact CG-CE1 3.92Å; K402-F445 HydrophobicContact CG-CZ 4.16Å; A403-F445 HydrophobicContact CB-CE2 3.77Å; A403-F445 HydrophobicContact CB-CZ 3.74Å; F445-S449 PolarHBondContact O-N 3.33Å; F445-S449 PolarHBondContact O-OG 3.38Å; F445-I504 HydrophobicContact CB-CG2 3.78Å; F445-L507 HydrophobicContact CB-CD1 4.4Å; F445-L507 HydrophobicContact CB-CG 4.26Å; F445-L507 HydrophobicContact CD2-CB 3.79Å; F445-L507 HydrophobicContact CD2-CD1 3.87Å; F445-L507 HydrophobicContact CD2-CG 3.95Å; F445-L507 HydrophobicContact CE2-CB 4.28Å; F445-L507 HydrophobicContact CE2-CD1 4.23Å; F445-L507 HydrophobicContact CG-CD1 4.04Å; F445-L507 HydrophobicContact CG-CG 4.26Å; F445-L511 HydrophobicContact CE2-CD1 4.1Å
446S95.8Very high93.2Very high0 Ų019.3 Ų19.30%011%0.105CC..Hα-helixtrans-78.1-27.4176.9-860000113.2I360 D364 L406 N443 S449 V450I360-S446 VanDerWaalsContact CG2-OG 3.26Å; I360-S446 WeakPolarHBondContact CG2-OG 3.2Å; D364-S446 VanDerWaalsContact CG-OG 3.3Å; D364-S446 PolarHBondContact OD1-OG 3.48Å; D364-S446 VanDerWaalsContact OD2-CB 3.23Å; D364-S446 WeakPolarHBondContact OD2-CB 3.49Å; D364-S446 PolarHBondContact OD2-OG 3.42Å; L406-S446 VanDerWaalsContact CD2-OG 3.31Å; L406-S446 WeakPolarHBondContact CD2-OG 3.26Å; N443-S446 PolarHBondContact OD1-N 2.89Å; N443-S446 VanDerWaalsContact OD1-N 3.08Å; S446-S449 WeakPolarHBondContact O-CB 3.5Å; S446-S449 PolarHBondContact O-N 3Å; S446-V450 WeakPolarHBondContact O-CG2 3.31Å; S446-V450 PolarHBondContact O-N 3.41Å
447F95.7Very high93.1Very high2 Ų223.1 Ų23.11%0.00913%0.131CC..Hα-helixtrans-56.7-50.2168.2162.2-97.2000111.1A434 L437 R438 N443 L444 S449 V450 M451 L484 F487 Y488A434-F447 HydrophobicContact CB-CD2 4.13Å; A434-F447 HydrophobicContact CB-CE2 4.38Å; A434-F447 WeakPolarHBondContact O-CD2 3.48Å; L437-F447 HydrophobicContact CB-CB 4.09Å; R438-F447 HydrophobicContact CB-CD2 3.8Å; R438-F447 HydrophobicContact CB-CE2 4.1Å; R438-F447 HydrophobicContact CB-CG 4.15Å; N443-F447 VanDerWaalsContact O-CB 3.23Å; N443-F447 WeakPolarHBondContact O-CB 3.42Å; N443-F447 PolarHBondContact O-N 2.74Å; L444-F447 WeakPolarHBondContact O-CB 3.4Å; L444-F447 PolarHBondContact O-N 3.4Å; F447-S449 PolarHBondContact O-N 3.49Å; F447-V450 PolarHBondContact O-N 2.95Å; F447-M451 HydrophobicContact CD1-CG 4.48Å; F447-M451 HydrophobicContact CD2-CG 3.87Å; F447-M451 HydrophobicContact CE1-CG 4.06Å; F447-M451 HydrophobicContact CE2-CG 3.4Å; F447-M451 VanDerWaalsContact CE2-CG 3.4Å; F447-M451 HydrophobicContact CE2-SD 3.95Å; F447-M451 HydrophobicContact CG-CG 4.39Å; F447-M451 HydrophobicContact CZ-CG 3.52Å; F447-M451 HydrophobicContact CZ-SD 4.32Å; F447-M451 WeakPolarHBondContact O-CB 3.26Å; F447-M451 WeakPolarHBondContact O-CG 3.23Å; F447-M451 PolarHBondContact O-N 2.57Å; F447-L484 HydrophobicContact CE2-CB 4.28Å; F447-L484 HydrophobicContact CE2-CD2 4.19Å; F447-F487 HydrophobicContact CD1-CD1 4.47Å; F447-F487 HydrophobicContact CD1-CE1 4.35Å; F447-F487 AromaticContact CE1-CD1 3.55Å; F447-F487 HydrophobicContact CE1-CD1 3.55Å; F447-F487 AromaticContact CE1-CE1 3.82Å; F447-F487 HydrophobicContact CE1-CE1 3.82Å; F447-F487 AromaticContact CZ-CD1 3.78Å; F447-F487 HydrophobicContact CZ-CD1 3.78Å; F447-F487 HydrophobicContact CZ-CE1 4.41Å; F447-Y488 HydrophobicContact CE1-CD2 4.3Å
448S92.8Very high93.1Very high5 Ų523.6 Ų23.64%0.03513%0.133CC..Hα-helixtrans-58.8-36.2177-710000111.7L444 A452 Y488 D506L444-S448 WeakPolarHBondContact O-CB 3.48Å; L444-S448 PolarHBondContact O-N 3.28Å; L444-S448 PolarHBondContact O-OG 3.18Å; S448-A452 VanDerWaalsContact O-CB 3.24Å; S448-A452 WeakPolarHBondContact O-CB 3.4Å; S448-A452 PolarHBondContact O-N 3Å; S448-Y488 WeakPolarHBondContact O-CE2 3.4Å; S448-D506 PolarHBondContact OG-OD2 3.09Å
449S94.5Very high93.3Very high0 Ų021.5 Ų21.50%013%0.125CC..Hα-helixtrans-68.8-41.8176.9-530000113.5A403 F445 S446 F447 A453A403-S449 WeakPolarHBondContact CB-OG 3.11Å; F445-S449 PolarHBondContact O-N 3.33Å; F445-S449 PolarHBondContact O-OG 3.38Å; S446-S449 WeakPolarHBondContact O-CB 3.5Å; S446-S449 PolarHBondContact O-N 3Å; F447-S449 PolarHBondContact O-N 3.49Å; S449-A453 PolarHBondContact O-N 2.78Å
450V97.3Very high93.5Very high0 Ų020.1 Ų20.10%013%0.125CC..Hα-helixtrans-70.1-38.8175.4177.20000111L406 V410 W430 A434 L437 S446 F447 A453 L454L406-V450 HydrophobicContact CD2-CG2 4.43Å; V410-V450 HydrophobicContact CG2-CG2 4.24Å; W430-V450 HydrophobicContact CB-CG1 4.32Å; W430-V450 HydrophobicContact CE3-CG1 4.19Å; W430-V450 HydrophobicContact CE3-CG2 4.31Å; W430-V450 HydrophobicContact CZ3-CG2 4.42Å; A434-V450 HydrophobicContact CB-CG1 4.01Å; L437-V450 HydrophobicContact CD1-CG2 4.03Å; S446-V450 WeakPolarHBondContact O-CG2 3.31Å; S446-V450 PolarHBondContact O-N 3.41Å; F447-V450 PolarHBondContact O-N 2.95Å; V450-A453 WeakPolarHBondContact O-CB 3.42Å; V450-A453 PolarHBondContact O-N 2.76Å; V450-L454 HydrophobicContact CG1-CD1 4.13Å; V450-L454 WeakPolarHBondContact O-CG 3.35Å; V450-L454 PolarHBondContact O-N 3.17Å
451M95.6Very high93.7Very high1 Ų116.1 Ų16.11%0.00511%0.114CC..Hα-helixtrans-67.5-38.5175.9-70.6-59-61.900112.4A434 F447 A453 L454 G455 Y480 L484 R485 Y488A434-M451 HydrophobicContact CB-SD 4.11Å; F447-M451 HydrophobicContact CD1-CG 4.48Å; F447-M451 HydrophobicContact CD2-CG 3.87Å; F447-M451 HydrophobicContact CE1-CG 4.06Å; F447-M451 HydrophobicContact CE2-CG 3.4Å; F447-M451 VanDerWaalsContact CE2-CG 3.4Å; F447-M451 HydrophobicContact CE2-SD 3.95Å; F447-M451 HydrophobicContact CG-CG 4.39Å; F447-M451 HydrophobicContact CZ-CG 3.52Å; F447-M451 HydrophobicContact CZ-SD 4.32Å; F447-M451 WeakPolarHBondContact O-CB 3.26Å; F447-M451 WeakPolarHBondContact O-CG 3.23Å; F447-M451 PolarHBondContact O-N 2.57Å; M451-A453 VanDerWaalsContact C-N 3.27Å; M451-A453 PolarHBondContact O-N 3.36Å; M451-L454 PolarHBondContact O-N 3.08Å; M451-L454 HydrophobicContact SD-CD1 4.43Å; M451-G455 PolarHBondContact O-N 3.47Å; M451-Y480 HydrophobicContact CE-CD2 3.93Å; M451-Y480 HydrophobicContact CE-CE2 3.6Å; M451-Y480 HydrophobicContact SD-CD2 4.32Å; M451-Y480 HydrophobicContact SD-CE2 4.25Å; M451-L484 HydrophobicContact CE-CB 3.84Å; M451-L484 HydrophobicContact SD-CB 3.85Å; M451-L484 HydrophobicContact SD-CD1 4.46Å; M451-R485 HydrophobicContact CE-CB 4.12Å; M451-Y488 HydrophobicContact CB-CD1 4.09Å; M451-Y488 HydrophobicContact CB-CD2 3.51Å; M451-Y488 HydrophobicContact CB-CE1 4.41Å; M451-Y488 HydrophobicContact CB-CE2 3.87Å; M451-Y488 HydrophobicContact CB-CG 3.63Å; M451-Y488 HydrophobicContact CG-CD2 4.22Å; M451-Y488 HydrophobicContact CG-CG 4.23Å
452A92.6Very high94Very high27 Ų2715 Ų1522%0.22311%0.108CC..Hα-helixtrans-60.8-35.1171.900000112.4S448 S456S448-A452 VanDerWaalsContact O-CB 3.24Å; S448-A452 WeakPolarHBondContact O-CB 3.4Å; S448-A452 PolarHBondContact O-N 3Å; A452-S456 WeakPolarHBondContact O-CB 2.95Å; A452-S456 PolarHBondContact O-N 2.85Å; A452-S456 VanDerWaalsContact O-N 3.08Å
453A96.2Very high94.3Very high0 Ų020.4 Ų20.40%014%0.137CC..Hα-helixtrans-67.8-53.7172.600000111.8K407 V410 Q411 S449 V450 M451 G455 S456 L459K407-A453 HydrophobicContact CB-CB 4.5Å; K407-A453 HydrophobicContact CG-CB 4.04Å; K407-A453 WeakPolarHBondContact O-CB 3.14Å; V410-A453 HydrophobicContact CB-CB 3.63Å; V410-A453 HydrophobicContact CG1-CB 3.54Å; V410-A453 HydrophobicContact CG2-CB 4.42Å; Q411-A453 HydrophobicContact CG-CB 4.01Å; S449-A453 PolarHBondContact O-N 2.78Å; V450-A453 WeakPolarHBondContact O-CB 3.42Å; V450-A453 PolarHBondContact O-N 2.76Å; M451-A453 VanDerWaalsContact C-N 3.27Å; M451-A453 PolarHBondContact O-N 3.36Å; A453-G455 PolarHBondContact O-N 3.01Å; A453-S456 VanDerWaalsContact O-CB 3.22Å; A453-S456 WeakPolarHBondContact O-CB 3.13Å; A453-S456 PolarHBondContact O-N 2.67Å; A453-S456 PolarHBondContact O-OG 2.9Å; A453-L459 WeakPolarHBondContact O-CD1 3.44Å
454L96.3Very high94.3Very high0 Ų021.6 Ų21.60%015%0.145CC..Hα-helixtrans-62.8-30.1-179.1-68.4170.9000113I414 W430 I431 V450 M451 Y480I414-L454 HydrophobicContact CD1-CD2 4.31Å; W430-L454 HydrophobicContact CB-CD1 4.48Å; W430-L454 HydrophobicContact CB-CD2 4.25Å; I431-L454 HydrophobicContact CG1-CD1 3.8Å; I431-L454 HydrophobicContact CG1-CD2 4.45Å; V450-L454 HydrophobicContact CG1-CD1 4.13Å; V450-L454 WeakPolarHBondContact O-CG 3.35Å; V450-L454 PolarHBondContact O-N 3.17Å; M451-L454 PolarHBondContact O-N 3.08Å; M451-L454 HydrophobicContact SD-CD1 4.43Å; L454-Y480 HydrophobicContact CB-CE2 3.8Å; L454-Y480 HydrophobicContact CD1-CD2 4.29Å; L454-Y480 HydrophobicContact CD1-CE2 4.25Å
455G92.7Very high94.5Very high32 Ų3220.1 Ų20.133%0.3314%0.137SC..THydrogen-bonded Turntrans-88.3-5.4174.500000115.2M451 A453M451-G455 PolarHBondContact O-N 3.47Å; A453-G455 PolarHBondContact O-N 3.01Å
456S93.8Very high94.7Very high6 Ų620.7 Ų20.74%0.04214%0.14CC..SBendtrans-60.8149.1-178.867.30000112Q411 A452 A453 Q458 L459 A460Q411-S456 VanDerWaalsContact NE2-CB 3.31Å; Q411-S456 PolarHBondContact NE2-OG 2.94Å; A452-S456 WeakPolarHBondContact O-CB 2.95Å; A452-S456 PolarHBondContact O-N 2.85Å; A452-S456 VanDerWaalsContact O-N 3.08Å; A453-S456 VanDerWaalsContact O-CB 3.22Å; A453-S456 WeakPolarHBondContact O-CB 3.13Å; A453-S456 PolarHBondContact O-N 2.67Å; A453-S456 PolarHBondContact O-OG 2.9Å; S456-Q458 PolarHBondContact O-N 3.2Å; S456-Q458 VanDerWaalsContact O-N 3.16Å; S456-L459 PolarHBondContact O-N 3.41Å; S456-L459 VanDerWaalsContact O-N 3.07Å; S456-A460 VanDerWaalsContact O-CB 3.28Å; S456-A460 WeakPolarHBondContact O-CB 3.3Å; S456-A460 PolarHBondContact O-N 3.25Å
457P93.3Very high94.7Very high100 Ų10027.2 Ų27.265%0.64917%0.168SC*.Hα-helixtrans-57.2-34-179.322.1-32.8000112.4L459 S461P457-L459 PolarHBondContact O-N 2.94Å; P457-S461 WeakPolarHBondContact O-CB 3.29Å; P457-S461 PolarHBondContact O-N 2.89Å; P457-S461 VanDerWaalsContact O-N 3.1Å; P457-S461 PolarHBondContact O-OG 2.82Å; P457-S461 VanDerWaalsContact O-OG 3.07Å
458Q94.9Very high94.7Very high10 Ų1029 Ų295%0.04718%0.177CC..Hα-helixtrans-68.5-29.7179.4-54.795.8-22.800113.8Q411 S456 S461 D611 L614 S615 A618Q411-Q458 VanDerWaalsContact NE2-OE1 3.1Å; S456-Q458 PolarHBondContact O-N 3.2Å; S456-Q458 VanDerWaalsContact O-N 3.16Å; Q458-S461 PolarHBondContact O-OG 2.99Å; Q458-D611 PolarHBondContact NE2-O 2.94Å; Q458-D611 PolarHBondContact NE2-OD1 2.87Å; Q458-L614 HydrophobicContact CB-CB 4.5Å; Q458-L614 HydrophobicContact CG-CB 4.07Å; Q458-S615 WeakPolarHBondContact CG-OG 3.2Å; Q458-S615 PolarHBondContact NE2-OG 2.88Å; Q458-A618 HydrophobicContact CB-CB 4.02Å; Q458-A618 WeakPolarHBondContact O-CB 3.49Å
459L96.2Very high94.8Very high0 Ų028.8 Ų28.80%018%0.175CC..Hα-helixtrans-94.3-33174.3-64.2-168.1000112.2Q411 I414 L415 A453 S456 P457 S461 L462 W466Q411-L459 HydrophobicContact CG-CD1 4.22Å; Q411-L459 HydrophobicContact CG-CG 4.31Å; I414-L459 HydrophobicContact CB-CD2 4.45Å; I414-L459 HydrophobicContact CD1-CD1 3.58Å; I414-L459 HydrophobicContact CG2-CD2 4.2Å; L415-L459 HydrophobicContact CD1-CD2 4.01Å; L415-L459 HydrophobicContact CD2-CD2 4.3Å; L415-L459 HydrophobicContact CG-CD2 3.91Å; A453-L459 WeakPolarHBondContact O-CD1 3.44Å; S456-L459 PolarHBondContact O-N 3.41Å; S456-L459 VanDerWaalsContact O-N 3.07Å; P457-L459 PolarHBondContact O-N 2.94Å; L459-S461 VanDerWaalsContact C-N 3.26Å; L459-S461 PolarHBondContact O-N 3.27Å; L459-L462 HydrophobicContact CD2-CD1 3.86Å; L459-L462 WeakPolarHBondContact O-CB 3.29Å; L459-L462 PolarHBondContact O-N 3.2Å; L459-W466 PolarHBondContact O-NE1 2.71Å
460A94Very high94.9Very high47 Ų4733.9 Ų33.939%0.38819%0.194SC..Hα-helixtrans-65-29177.700000112.7S456 L462S456-A460 VanDerWaalsContact O-CB 3.28Å; S456-A460 WeakPolarHBondContact O-CB 3.3Å; S456-A460 PolarHBondContact O-N 3.25Å; A460-L462 VanDerWaalsContact C-N 3.27Å; A460-L462 PolarHBondContact O-N 3.44Å
461S94.3Very high94.8Very high53 Ų5337 Ų3737%0.37122%0.216SC..THydrogen-bonded Turntrans-73.2-10.2177.360.60000115P457 Q458 L459 N463P457-S461 WeakPolarHBondContact O-CB 3.29Å; P457-S461 PolarHBondContact O-N 2.89Å; P457-S461 VanDerWaalsContact O-N 3.1Å; P457-S461 PolarHBondContact O-OG 2.82Å; P457-S461 VanDerWaalsContact O-OG 3.07Å; Q458-S461 PolarHBondContact O-OG 2.99Å; L459-S461 VanDerWaalsContact C-N 3.26Å; L459-S461 PolarHBondContact O-N 3.27Å; S461-N463 PolarHBondContact O-N 2.94Å; S461-N463 PolarHBondContact O-ND2 3.14Å
462L94.8Very high94.7Very high0 Ų041.7 Ų41.70%024%0.238CC..  trans-7963.6-176.3-60.8179.5000112.3L415 L459 A460 S464 H465 W466 A618 E622L415-L462 HydrophobicContact CD2-CD1 3.98Å; L415-L462 HydrophobicContact CD2-CD2 4.38Å; L459-L462 HydrophobicContact CD2-CD1 3.86Å; L459-L462 WeakPolarHBondContact O-CB 3.29Å; L459-L462 PolarHBondContact O-N 3.2Å; A460-L462 VanDerWaalsContact C-N 3.27Å; A460-L462 PolarHBondContact O-N 3.44Å; L462-S464 PolarHBondContact O-N 3.33Å; L462-H465 HydrophobicContact CB-CB 3.86Å; L462-H465 WeakPolarHBondContact O-CB 3.23Å; L462-H465 PolarHBondContact O-N 2.86Å; L462-H465 VanDerWaalsContact O-N 3.09Å; L462-W466 VanDerWaalsContact O-CD1 3.23Å; L462-W466 PolarHBondContact O-N 3.06Å; L462-A618 HydrophobicContact CD2-CB 4.22Å; L462-A618 WeakPolarHBondContact CD2-O 3.33Å; L462-E622 WeakPolarHBondContact CA-OE2 3.36Å; L462-E622 HydrophobicContact CD2-CB 4.29Å
463N94Very high94.9Very high114 Ų11442.8 Ų42.861%0.6124%0.238SC*.Hα-helixtrans-53.5-46.4-170.7-69.3-64.2000113.7S461 H465 W466 F467 E622S461-N463 PolarHBondContact O-N 2.94Å; S461-N463 PolarHBondContact O-ND2 3.14Å; N463-H465 VanDerWaalsContact C-N 3.34Å; N463-H465 PolarHBondContact O-N 3Å; N463-W466 PolarHBondContact O-N 2.98Å; N463-F467 WeakPolarHBondContact O-CB 3.44Å; N463-F467 PolarHBondContact O-N 2.85Å; N463-E622 PolarHBondContact N-OE1 3.37Å
464S93.1Very high94.9Very high25 Ų2546.1 Ų46.118%0.17526%0.259CS..Hα-helixtrans-62.7-42.1179.2-54.40000111.1L462 F467 H468 E622L462-S464 PolarHBondContact O-N 3.33Å; S464-F467 WeakPolarHBondContact O-CB 3.39Å; S464-F467 PolarHBondContact O-N 3.46Å; S464-H468 PolarHBondContact O-CD2 3.33Å; S464-H468 VanDerWaalsContact O-CD2 3.28Å; S464-H468 PolarHBondContact O-N 2.65Å; S464-E622 WeakPolarHBondContact CB-OE1 3.39Å; S464-E622 PolarHBondContact N-OE1 3.1Å; S464-E622 PolarHBondContact OG-OE1 3.38Å
465H95.2Very high94.9Very high0 Ų052.6 Ų52.60%029%0.289CS..Hα-helixtrans-64.7-45178.7-59.274.9000111.4L420 R423 M427 L462 N463 H468 L469 E622 L625L420-H465 WeakPolarHBondContact CD1-CD2 3.47Å; R423-H465 PolarHBondContact NE-NE2 3.17Å; M427-H465 HydrophobicContact CE-CB 4.46Å; M427-H465 HydrophobicContact SD-CB 3.93Å; L462-H465 HydrophobicContact CB-CB 3.86Å; L462-H465 WeakPolarHBondContact O-CB 3.23Å; L462-H465 PolarHBondContact O-N 2.86Å; L462-H465 VanDerWaalsContact O-N 3.09Å; N463-H465 VanDerWaalsContact C-N 3.34Å; N463-H465 PolarHBondContact O-N 3Å; H465-H468 PolarHBondContact O-N 3.23Å; H465-L469 WeakPolarHBondContact O-CB 3.04Å; H465-L469 PolarHBondContact O-N 3.37Å; H465-E622 IonicContact CE1-OE2 3.75Å; H465-E622 PolarHBondContact CE1-OE2 3.24Å; H465-E622 IonicContact ND1-OE2 3.51Å; H465-E622 PolarHBondContact ND1-OE2 3.45Å; H465-L625 VanDerWaalsContact CE1-CD1 3.42Å; H465-L625 WeakPolarHBondContact CE1-CD1 3.38Å
466W96.1Very high95.1Very high13 Ų1351.2 Ų51.25%0.04927%0.274CS..Hα-helixtrans-68.2-31.4174.4-72.8108.7000113.2M427 I431 L459 L462 N463 L469 R470 Y480M427-W466 HydrophobicContact CE-CD2 3.59Å; M427-W466 VanDerWaalsContact CE-CE2 3.41Å; M427-W466 HydrophobicContact CE-CE3 3.94Å; M427-W466 HydrophobicContact CE-CG 4.12Å; M427-W466 HydrophobicContact CE-CH2 4.01Å; M427-W466 HydrophobicContact CE-CZ2 3.65Å; M427-W466 HydrophobicContact CE-CZ3 4.14Å; I431-W466 HydrophobicContact CD1-CH2 4.49Å; I431-W466 HydrophobicContact CD1-CZ3 4.2Å; L459-W466 PolarHBondContact O-NE1 2.71Å; L462-W466 VanDerWaalsContact O-CD1 3.23Å; L462-W466 PolarHBondContact O-N 3.06Å; N463-W466 PolarHBondContact O-N 2.98Å; W466-L469 HydrophobicContact CE3-CD1 4.43Å; W466-L469 HydrophobicContact CZ3-CD1 4.38Å; W466-R470 WeakPolarHBondContact O-CG 3.34Å; W466-R470 PolarHBondContact O-N 3.21Å; W466-R470 PolarHBondContact O-NH1 2.8Å; W466-Y480 AromaticContact CH2-CD1 3.88Å; W466-Y480 HydrophobicContact CH2-CD1 3.88Å; W466-Y480 AromaticContact CH2-CE1 3.62Å; W466-Y480 HydrophobicContact CH2-CE1 3.62Å; W466-Y480 HydrophobicContact CH2-CE2 4.29Å; W466-Y480 HydrophobicContact CH2-CG 4.35Å; W466-Y480 AromaticContact CH2-CZ 3.85Å; W466-Y480 HydrophobicContact CZ2-CE1 4.4Å; W466-Y480 AromaticContact CZ3-CD1 3.73Å; W466-Y480 HydrophobicContact CZ3-CD1 3.73Å; W466-Y480 AromaticContact CZ3-CE1 3.85Å; W466-Y480 HydrophobicContact CZ3-CE1 3.85Å; W466-Y480 HydrophobicContact CZ3-CG 4.31Å
467F95.1Very high95.2Very high136 Ų13651 Ų5160%0.59627%0.273SS*.Hα-helixtrans-63.8-51.3172.7176.3-95.7000111.1N463 S464 L469 R470 S471N463-F467 WeakPolarHBondContact O-CB 3.44Å; N463-F467 PolarHBondContact O-N 2.85Å; S464-F467 WeakPolarHBondContact O-CB 3.39Å; S464-F467 PolarHBondContact O-N 3.46Å; F467-L469 VanDerWaalsContact C-N 3.33Å; F467-L469 PolarHBondContact O-N 3.19Å; F467-R470 PolarHBondContact O-N 2.91Å; F467-R470 VanDerWaalsContact O-N 3.14Å; F467-S471 PolarHBondContact O-N 2.95Å; F467-S471 PolarHBondContact O-OG 3.1Å
468H95Very high95.3Very high41 Ų4150.5 Ų50.519%0.1926%0.264CS..Hα-helixtrans-61-39.2175.4-83.7-86.8000112.6I424 S464 H465 R470 S471 E472I424-H468 HydrophobicContact CD1-CB 3.46Å; I424-H468 VanDerWaalsContact CD1-CB 3.46Å; I424-H468 HydrophobicContact CG1-CB 4.19Å; S464-H468 PolarHBondContact O-CD2 3.33Å; S464-H468 VanDerWaalsContact O-CD2 3.28Å; S464-H468 PolarHBondContact O-N 2.65Å; H465-H468 PolarHBondContact O-N 3.23Å; H468-R470 VanDerWaalsContact C-N 3.31Å; H468-R470 PolarHBondContact O-N 3.29Å; H468-S471 WeakPolarHBondContact CA-OG 3.48Å; H468-S471 PolarHBondContact O-N 3.43Å; H468-S471 PolarHBondContact O-OG 3.25Å; H468-S471 VanDerWaalsContact O-OG 3.13Å; H468-E472 IonicContact CE1-OE1 2.83Å; H468-E472 IonicContact CG-OE1 3.35Å; H468-E472 IonicContact ND1-OE1 2.92Å; H468-E472 PolarHBondContact ND1-OE1 2.62Å; H468-E472 WeakPolarHBondContact O-CB 3.08Å; H468-E472 PolarHBondContact O-N 2.99Å
469L95.7Very high95.4Very high0 Ų051.5 Ų51.50%027%0.27CS..Hα-helixtrans-62.9-37.8175.1-163.8156.8000111.6I424 M427 I431 H465 W466 F467 H473 A477I424-L469 HydrophobicContact CG2-CB 4.46Å; M427-L469 HydrophobicContact CB-CD1 3.62Å; M427-L469 HydrophobicContact CE-CD1 4.07Å; I431-L469 HydrophobicContact CD1-CD1 3.91Å; I431-L469 HydrophobicContact CD1-CD2 4.24Å; H465-L469 WeakPolarHBondContact O-CB 3.04Å; H465-L469 PolarHBondContact O-N 3.37Å; W466-L469 HydrophobicContact CE3-CD1 4.43Å; W466-L469 HydrophobicContact CZ3-CD1 4.38Å; F467-L469 VanDerWaalsContact C-N 3.33Å; F467-L469 PolarHBondContact O-N 3.19Å; L469-H473 HydrophobicContact CG-CB 4.46Å; L469-H473 CarbonylContact O-C 3.52Å; L469-H473 VanDerWaalsContact O-CA 3.24Å; L469-H473 WeakPolarHBondContact O-CA 2.92Å; L469-H473 WeakPolarHBondContact O-CB 3.39Å; L469-H473 PolarHBondContact O-N 2.92Å; L469-A477 HydrophobicContact CD2-CB 3.62Å
470R96.6Very high95.4Very high106 Ų10651.9 Ų51.940%0.427%0.271SS..Hα-helixtrans-69.3-36.8174.5-73.9178.1-165106-0.1113.4W466 F467 H468 T474 A477 E481W466-R470 WeakPolarHBondContact O-CG 3.34Å; W466-R470 PolarHBondContact O-N 3.21Å; W466-R470 PolarHBondContact O-NH1 2.8Å; F467-R470 PolarHBondContact O-N 2.91Å; F467-R470 VanDerWaalsContact O-N 3.14Å; H468-R470 VanDerWaalsContact C-N 3.31Å; H468-R470 PolarHBondContact O-N 3.29Å; R470-T474 WeakPolarHBondContact O-CA 3.49Å; R470-T474 WeakPolarHBondContact O-CB 3.47Å; R470-T474 PolarHBondContact O-OG1 3.37Å; R470-A477 HydrophobicContact CB-CB 4.37Å; R470-A477 HydrophobicContact CG-CB 3.73Å; R470-E481 IonicContact CZ-OE1 3.42Å; R470-E481 IonicContact NE-OE1 2.76Å; R470-E481 PolarHBondContact NE-OE1 3.32Å; R470-E481 IonicContact NH2-OE1 3.17Å; R470-E481 PolarHBondContact NH2-OE1 3.08Å
471S94.8Very high95.3Very high66 Ų6653.2 Ų53.246%0.46227%0.269SS..Hα-helixtrans-81.5-39-178.759.10000113.6F467 H468F467-S471 PolarHBondContact O-N 2.95Å; F467-S471 PolarHBondContact O-OG 3.1Å; H468-S471 WeakPolarHBondContact CA-OG 3.48Å; H468-S471 PolarHBondContact O-N 3.43Å; H468-S471 PolarHBondContact O-OG 3.25Å; H468-S471 VanDerWaalsContact O-OG 3.13Å
472E94.7Very high95.1Very high99 Ų9954.6 Ų54.646%0.46328%0.276SS..Hα-helixtrans-95.1-33.8-175.5-63.5172-150.100112.7H468H468-E472 IonicContact CE1-OE1 2.83Å; H468-E472 IonicContact CG-OE1 3.35Å; H468-E472 IonicContact ND1-OE1 2.92Å; H468-E472 PolarHBondContact ND1-OE1 2.62Å; H468-E472 WeakPolarHBondContact O-CB 3.08Å; H468-E472 PolarHBondContact O-N 2.99Å
473H95.7Very high94.9Very high50 Ų5060.5 Ų60.523%0.23130%0.301CS..SBendtrans-123.241.9-176.1-64.9-82.1000112.1L469 H475 V476 A477L469-H473 HydrophobicContact CG-CB 4.46Å; L469-H473 CarbonylContact O-C 3.52Å; L469-H473 VanDerWaalsContact O-CA 3.24Å; L469-H473 WeakPolarHBondContact O-CA 2.92Å; L469-H473 WeakPolarHBondContact O-CB 3.39Å; L469-H473 PolarHBondContact O-N 2.92Å; H473-H475 PolarHBondContact O-N 3.28Å; H473-V476 HydrophobicContact CB-CB 4.25Å; H473-V476 HydrophobicContact CB-CG2 4.22Å; H473-V476 WeakPolarHBondContact O-CA 3.34Å; H473-V476 WeakPolarHBondContact O-CB 3.47Å; H473-V476 PolarHBondContact O-N 3.42Å; H473-A477 PolarHBondContact O-N 2.82Å; H473-A477 VanDerWaalsContact O-N 3.09Å
474T96Very high94.9Very high71 Ų7155 Ų5544%0.43627%0.272SS..Hα-helixtrans-48.7-38-171.2-42.10000114.8R470 V476 A477 L478R470-T474 WeakPolarHBondContact O-CA 3.49Å; R470-T474 WeakPolarHBondContact O-CB 3.47Å; R470-T474 PolarHBondContact O-OG1 3.37Å; T474-V476 VanDerWaalsContact C-N 3.35Å; T474-V476 PolarHBondContact O-N 2.99Å; T474-A477 PolarHBondContact O-N 3.39Å; T474-L478 HydrophobicContact CG2-CD1 4.18Å; T474-L478 WeakPolarHBondContact O-CB 3.5Å; T474-L478 WeakPolarHBondContact O-CG 3.44Å; T474-L478 PolarHBondContact O-N 3.22Å
475H96.7Very high94.7Very high136 Ų13659.2 Ų59.263%0.6328%0.284SS*.Hα-helixtrans-67.6-33.4178.968.2-84.7000113H473 L479H473-H475 PolarHBondContact O-N 3.28Å; H475-L479 WeakPolarHBondContact O-CB 3.34Å; H475-L479 PolarHBondContact O-N 3.06Å
476V97.1Very high94.3Very high2 Ų261.6 Ų61.61%0.01230%0.301CS..Hα-helixtrans-75.1-40.2175.7-172.20000110.3T428 I431 H473 T474 L479 Y480T428-V476 HydrophobicContact CG2-CG1 4.24Å; T428-V476 HydrophobicContact CG2-CG2 4.11Å; I431-V476 HydrophobicContact CB-CG1 3.67Å; I431-V476 HydrophobicContact CD1-CG1 3.95Å; I431-V476 HydrophobicContact CG1-CG1 4.42Å; I431-V476 HydrophobicContact CG2-CG1 3.47Å; I431-V476 VanDerWaalsContact CG2-CG1 3.47Å; H473-V476 HydrophobicContact CB-CB 4.25Å; H473-V476 HydrophobicContact CB-CG2 4.22Å; H473-V476 WeakPolarHBondContact O-CA 3.34Å; H473-V476 WeakPolarHBondContact O-CB 3.47Å; H473-V476 PolarHBondContact O-N 3.42Å; T474-V476 VanDerWaalsContact C-N 3.35Å; T474-V476 PolarHBondContact O-N 2.99Å; V476-L479 WeakPolarHBondContact O-CB 3.45Å; V476-L479 PolarHBondContact O-N 2.74Å; V476-Y480 PolarHBondContact O-N 3.06Å
477A96Very high93.8Very high3 Ų363.1 Ų63.13%0.02531%0.308CS..Hα-helixtrans-58.2-50.5172.900000111.7L469 R470 H473 T474 L479 Y480 E481L469-A477 HydrophobicContact CD2-CB 3.62Å; R470-A477 HydrophobicContact CB-CB 4.37Å; R470-A477 HydrophobicContact CG-CB 3.73Å; H473-A477 PolarHBondContact O-N 2.82Å; H473-A477 VanDerWaalsContact O-N 3.09Å; T474-A477 PolarHBondContact O-N 3.39Å; A477-L479 VanDerWaalsContact C-N 3.32Å; A477-L479 PolarHBondContact O-N 3.47Å; A477-Y480 PolarHBondContact O-N 3.45Å; A477-E481 WeakPolarHBondContact O-CG 3.31Å; A477-E481 PolarHBondContact O-N 3.14Å
478L95.8Very high93.4Very high88 Ų8858.8 Ų58.846%0.46129%0.288SS..Hα-helixtrans-62-38.6177.7-73.4169.6000112.1T474 T482T474-L478 HydrophobicContact CG2-CD1 4.18Å; T474-L478 WeakPolarHBondContact O-CB 3.5Å; T474-L478 WeakPolarHBondContact O-CG 3.44Å; T474-L478 PolarHBondContact O-N 3.22Å; L478-T482 HydrophobicContact CD2-CG2 4.36Å; L478-T482 WeakPolarHBondContact O-CB 3.34Å; L478-T482 WeakPolarHBondContact O-CG2 3.07Å; L478-T482 PolarHBondContact O-N 3.37Å; L478-T482 PolarHBondContact O-OG1 3.29Å
479L96.5Very high92.6Very high32 Ų3259.9 Ų59.917%0.16830%0.297CS..Iπ-helixtrans-59.2-49.4174.3173.161000111.4I431 D435 H475 V476 A477 K483 L484I431-L479 HydrophobicContact CG2-CD2 4.39Å; I431-L479 HydrophobicContact CG2-CG 4.46Å; D435-L479 HydrophobicContact CB-CD2 3.97Å; H475-L479 WeakPolarHBondContact O-CB 3.34Å; H475-L479 PolarHBondContact O-N 3.06Å; V476-L479 WeakPolarHBondContact O-CB 3.45Å; V476-L479 PolarHBondContact O-N 2.74Å; A477-L479 VanDerWaalsContact C-N 3.32Å; A477-L479 PolarHBondContact O-N 3.47Å; L479-K483 HydrophobicContact CD1-CB 4.24Å; L479-K483 HydrophobicContact CD1-CD 3.97Å; L479-K483 WeakPolarHBondContact O-CB 3.47Å; L479-K483 PolarHBondContact O-N 3.22Å; L479-L484 HydrophobicContact CD1-CD2 4.37Å; L479-L484 HydrophobicContact CD1-CG 4.24Å; L479-L484 HydrophobicContact CG-CD1 4.18Å; L479-L484 HydrophobicContact CG-CG 4.27Å; L479-L484 PolarHBondContact O-N 2.86Å; L479-L484 VanDerWaalsContact O-N 3.1Å
480Y96.1Very high91.2Very high7 Ų762.9 Ų62.93%0.02732%0.318CS..Iπ-helixtrans-59.3-55.9176.4172.1-102.3000111.8I431 M451 L454 W466 V476 A477 L484 R485I431-Y480 HydrophobicContact CD1-CG 4.32Å; I431-Y480 HydrophobicContact CG1-CD2 4.21Å; I431-Y480 HydrophobicContact CG1-CG 4.39Å; M451-Y480 HydrophobicContact CE-CD2 3.93Å; M451-Y480 HydrophobicContact CE-CE2 3.6Å; M451-Y480 HydrophobicContact SD-CD2 4.32Å; M451-Y480 HydrophobicContact SD-CE2 4.25Å; L454-Y480 HydrophobicContact CB-CE2 3.8Å; L454-Y480 HydrophobicContact CD1-CD2 4.29Å; L454-Y480 HydrophobicContact CD1-CE2 4.25Å; W466-Y480 AromaticContact CH2-CD1 3.88Å; W466-Y480 HydrophobicContact CH2-CD1 3.88Å; W466-Y480 AromaticContact CH2-CE1 3.62Å; W466-Y480 HydrophobicContact CH2-CE1 3.62Å; W466-Y480 HydrophobicContact CH2-CE2 4.29Å; W466-Y480 HydrophobicContact CH2-CG 4.35Å; W466-Y480 AromaticContact CH2-CZ 3.85Å; W466-Y480 HydrophobicContact CZ2-CE1 4.4Å; W466-Y480 AromaticContact CZ3-CD1 3.73Å; W466-Y480 HydrophobicContact CZ3-CD1 3.73Å; W466-Y480 AromaticContact CZ3-CE1 3.85Å; W466-Y480 HydrophobicContact CZ3-CE1 3.85Å; W466-Y480 HydrophobicContact CZ3-CG 4.31Å; V476-Y480 PolarHBondContact O-N 3.06Å; A477-Y480 PolarHBondContact O-N 3.45Å; Y480-L484 PolarHBondContact O-N 3.37Å; Y480-R485 VanDerWaalsContact O-CB 3.28Å; Y480-R485 WeakPolarHBondContact O-CB 3.42Å; Y480-R485 PolarHBondContact O-N 2.92Å; Y480-R485 PolarHBondContact OH-NH1 3.45Å; Y480-R485 VanDerWaalsContact OH-NH1 3.12Å
481E92.1Very high89.6Confident75 Ų7561 Ų6135%0.3531%0.311SS..Iπ-helixtrans-68.9-45.6-172.5-66.7-179.8166.100112.7R470 A477R470-E481 IonicContact CZ-OE1 3.42Å; R470-E481 IonicContact NE-OE1 2.76Å; R470-E481 PolarHBondContact NE-OE1 3.32Å; R470-E481 IonicContact NH2-OE1 3.17Å; R470-E481 PolarHBondContact NH2-OE1 3.08Å; A477-E481 WeakPolarHBondContact O-CG 3.31Å; A477-E481 PolarHBondContact O-N 3.14Å
482T90.1Very high87.7Confident83 Ų8361.8 Ų61.851%0.50930%0.303SS..Iπ-helixtrans-90.8-28-169.468.80000114.5L478 S486L478-T482 HydrophobicContact CD2-CG2 4.36Å; L478-T482 WeakPolarHBondContact O-CB 3.34Å; L478-T482 WeakPolarHBondContact O-CG2 3.07Å; L478-T482 PolarHBondContact O-N 3.37Å; L478-T482 PolarHBondContact O-OG1 3.29Å; T482-S486 VanDerWaalsContact C-OG 3.32Å; T482-S486 PolarHBondContact O-OG 2.88Å
483K91.5Very high85.1Confident123 Ų12362.2 Ų62.254%0.53531%0.309SS..Iπ-helixtrans-115.8-43.6-174-64.4-175.9180179.90114.3R438 L479 S486 F487R438-K483 PolarHBondContact NH1-O 2.87Å; L479-K483 HydrophobicContact CD1-CB 4.24Å; L479-K483 HydrophobicContact CD1-CD 3.97Å; L479-K483 WeakPolarHBondContact O-CB 3.47Å; L479-K483 PolarHBondContact O-N 3.22Å; K483-S486 WeakPolarHBondContact CA-OG 3.48Å; K483-S486 PolarHBondContact O-OG 2.94Å; K483-F487 WeakPolarHBondContact O-CB 2.95Å
484L92.9Very high82.1Confident0 Ų064.7 Ų64.70%033%0.331CS..Iπ-helixtrans-85.1-49.3-173.5-56.6-175.4000111.3I431 A434 D435 F447 M451 L479 Y480 F487 Y488I431-L484 HydrophobicContact CG2-CD1 4.08Å; A434-L484 HydrophobicContact CB-CD1 3.99Å; D435-L484 HydrophobicContact CB-CD1 4.28Å; D435-L484 HydrophobicContact CB-CD2 4.35Å; F447-L484 HydrophobicContact CE2-CB 4.28Å; F447-L484 HydrophobicContact CE2-CD2 4.19Å; M451-L484 HydrophobicContact CE-CB 3.84Å; M451-L484 HydrophobicContact SD-CB 3.85Å; M451-L484 HydrophobicContact SD-CD1 4.46Å; L479-L484 HydrophobicContact CD1-CD2 4.37Å; L479-L484 HydrophobicContact CD1-CG 4.24Å; L479-L484 HydrophobicContact CG-CD1 4.18Å; L479-L484 HydrophobicContact CG-CG 4.27Å; L479-L484 PolarHBondContact O-N 2.86Å; L479-L484 VanDerWaalsContact O-N 3.1Å; Y480-L484 PolarHBondContact O-N 3.37Å; L484-F487 PolarHBondContact O-N 3.02Å; L484-Y488 WeakPolarHBondContact O-CB 3.35Å; L484-Y488 PolarHBondContact O-N 2.94Å
485R89.7Confident79Confident113 Ų11364.5 Ų64.543%0.42634%0.344SS..Hα-helixtrans-65.8-41.2179.2-172.8175.3179.6128.5-1.7112.1M451 Y480 Y488 V489M451-R485 HydrophobicContact CE-CB 4.12Å; Y480-R485 VanDerWaalsContact O-CB 3.28Å; Y480-R485 WeakPolarHBondContact O-CB 3.42Å; Y480-R485 PolarHBondContact O-N 2.92Å; Y480-R485 PolarHBondContact OH-NH1 3.45Å; Y480-R485 VanDerWaalsContact OH-NH1 3.12Å; R485-Y488 PolarHBondContact O-N 2.98Å; R485-V489 HydrophobicContact CG-CG2 4.29Å; R485-V489 WeakPolarHBondContact O-CB 3.36Å; R485-V489 WeakPolarHBondContact O-CG2 3.3Å; R485-V489 PolarHBondContact O-N 3.38Å
486S85.9Confident76.2Confident49 Ų4965.5 Ų65.534%0.34335%0.349SS..Hα-helixtrans-58.1-47.8174.451.60000112.2T482 K483 C490T482-S486 VanDerWaalsContact C-OG 3.32Å; T482-S486 PolarHBondContact O-OG 2.88Å; K483-S486 WeakPolarHBondContact CA-OG 3.48Å; K483-S486 PolarHBondContact O-OG 2.94Å; S486-C490 WeakPolarHBondContact O-CB 3.3Å; S486-C490 PolarHBondContact O-N 2.86Å; S486-C490 PolarHBondContact O-SG 3.38Å; S486-C490 VanDerWaalsContact O-SG 3.33Å
487F86.2Confident72.9Confident45 Ų4572.8 Ų72.820%0.19739%0.387CS..Hα-helixtrans-66-41.5176.2179-94.9000112.8R438 L444 F447 K483 L484 R491R438-F487 HydrophobicContact CG-CD1 4.45Å; R438-F487 HydrophobicContact CG-CE1 4.24Å; L444-F487 HydrophobicContact CD2-CE1 4.09Å; L444-F487 HydrophobicContact CD2-CZ 4.22Å; F447-F487 HydrophobicContact CD1-CD1 4.47Å; F447-F487 HydrophobicContact CD1-CE1 4.35Å; F447-F487 AromaticContact CE1-CD1 3.55Å; F447-F487 HydrophobicContact CE1-CD1 3.55Å; F447-F487 AromaticContact CE1-CE1 3.82Å; F447-F487 HydrophobicContact CE1-CE1 3.82Å; F447-F487 AromaticContact CZ-CD1 3.78Å; F447-F487 HydrophobicContact CZ-CD1 3.78Å; F447-F487 HydrophobicContact CZ-CE1 4.41Å; K483-F487 WeakPolarHBondContact O-CB 2.95Å; L484-F487 PolarHBondContact O-N 3.02Å; F487-R491 PolarHBondContact O-N 3.26Å; F487-R491 VanDerWaalsContact O-N 3.09Å
488Y86.1Confident70Confident45 Ų4576.3 Ų76.318%0.17642%0.424CS..Hα-helixtrans-63.7-42.2178.3175.1-104.1000112.8F447 S448 M451 L484 R485 R491F447-Y488 HydrophobicContact CE1-CD2 4.3Å; S448-Y488 WeakPolarHBondContact O-CE2 3.4Å; M451-Y488 HydrophobicContact CB-CD1 4.09Å; M451-Y488 HydrophobicContact CB-CD2 3.51Å; M451-Y488 HydrophobicContact CB-CE1 4.41Å; M451-Y488 HydrophobicContact CB-CE2 3.87Å; M451-Y488 HydrophobicContact CB-CG 3.63Å; M451-Y488 HydrophobicContact CG-CD2 4.22Å; M451-Y488 HydrophobicContact CG-CG 4.23Å; L484-Y488 WeakPolarHBondContact O-CB 3.35Å; L484-Y488 PolarHBondContact O-N 2.94Å; R485-Y488 PolarHBondContact O-N 2.98Å; Y488-R491 WeakPolarHBondContact O-CG 3.36Å
489V77.7Confident67.7Low65 Ų6579.1 Ų79.139%0.39445%0.445SS..Hα-helixtrans-74.5-50.2179.2172.90000111.2R485 R491R485-V489 HydrophobicContact CG-CG2 4.29Å; R485-V489 WeakPolarHBondContact O-CB 3.36Å; R485-V489 WeakPolarHBondContact O-CG2 3.3Å; R485-V489 PolarHBondContact O-N 3.38Å; V489-R491 PolarHBondContact O-N 3.38Å
490C66.6Low65.6Low63 Ų6384.2 Ų84.243%0.42647%0.466SS..Hα-helixtrans-69.9-18.2-176-630000113.2S486 R492S486-C490 WeakPolarHBondContact O-CB 3.3Å; S486-C490 PolarHBondContact O-N 2.86Å; S486-C490 PolarHBondContact O-SG 3.38Å; S486-C490 VanDerWaalsContact O-SG 3.33Å; C490-R492 PolarHBondContact O-N 2.73Å
491R62.8Low64.2Low67 Ų6789.3 Ų89.325%0.25349%0.493SS..  trans51.2-12.6-178.9-74.5-173.3164117.7-0.2117.7F487 Y488 V489 D529 D532F487-R491 PolarHBondContact O-N 3.26Å; F487-R491 VanDerWaalsContact O-N 3.09Å; Y488-R491 WeakPolarHBondContact O-CG 3.36Å; V489-R491 PolarHBondContact O-N 3.38Å; R491-D529 IonicContact NH1-OD2 2.7Å; R491-D529 IonicContact NH2-OD2 3.41Å; R491-D532 IonicContact NH1-OD2 3.61Å; R491-D532 PolarHBondContact NH1-OD2 2.96Å
492R54.8Low63.4Low82 Ų8287.4 Ų87.431%0.30949%0.487SS..  trans-152.393.4-160-163.2-171.2-163.477.116.1110.2C490 S494 T539 D542C490-R492 PolarHBondContact O-N 2.73Å; R492-S494 PolarHBondContact O-N 3.22Å; R492-T539 PolarHBondContact NH1-O 3.28Å; R492-D542 IonicContact CZ-OD2 3.2Å; R492-D542 VanDerWaalsContact NH2-CG 3.28Å; R492-D542 IonicContact NH2-OD2 2.71Å; R492-D542 PolarHBondContact NH2-OD2 3.09Å
493D40.1Very low63Low108 Ų10884.4 Ų84.458%0.57847%0.47SS*.  trans-70.773157-95.8-30.3000108.4G495D493-G495 VanDerWaalsContact C-N 3.29Å; D493-G495 PolarHBondContact O-N 3.03Å
494S32.8Very low62.9Low101 Ų10178.6 Ų78.671%0.70645%0.445SS*.THydrogen-bonded Turntrans-68.684.2175.5540000110.1R492R492-S494 PolarHBondContact O-N 3.22Å
495G31.9Very low62.6Low67 Ų6779 Ų7969%0.69145%0.448SS*.THydrogen-bonded Turntrans157.8-7.9171.800000117.8D493 N497D493-G495 VanDerWaalsContact C-N 3.29Å; D493-G495 PolarHBondContact O-N 3.03Å; G495-N497 PolarHBondContact O-N 3.39Å
496Q37.4Very low62.3Low158 Ų15874.8 Ų74.874%0.73843%0.434SS*.PPolyproline II helixtrans-83.6116.6179.5-65.3-153.65400112.3
497N28.8Very low62.3Low154 Ų15472.5 Ų72.582%0.82442%0.417SS*.PPolyproline II helixtrans-51.1135.8175.5-65.3-63.7000111.3G495G495-N497 PolarHBondContact O-N 3.39Å
498G34.8Very low62.1Low77 Ų7772.3 Ų72.379%0.79442%0.415SS*.SBendtrans-58.2140.8-163.900000115.5
499T47.7Very low61.7Low148 Ų14871.1 Ų71.191%0.90841%0.413SS*.  trans-163.9-21.8158.220.30000113.2
500F52.5Low61.8Low139 Ų13968.2 Ų68.261%0.6140%0.395SS*.  trans-112103.9-177.9-160.5-94.1000112.4
501L66Low62.7Low113 Ų11365.2 Ų65.259%0.59238%0.375SS*.  trans-86125166.3-78.6162.8000108.7
502P75.9Confident63.4Low35 Ų3564.4 Ų64.423%0.22737%0.372CS..  trans-68.4139178.628.5-34000111.2G442 L444 I504 P505G442-P502 CarbonylContact O-C 3.54Å; G442-P502 WeakPolarHBondContact O-CA 3.49Å; G442-P502 VanDerWaalsContact O-CB 3.26Å; G442-P502 WeakPolarHBondContact O-CB 3.34Å; L444-P502 HydrophobicContact CD1-CB 3.75Å; L444-P502 HydrophobicContact CD1-CG 3.99Å; L444-P502 HydrophobicContact CG-CB 3.86Å; P502-I504 PolarHBondContact O-N 2.91Å; P502-P505 HydrophobicContact CG-CB 4.26Å
503S81.7Confident64.5Low21 Ų2162.7 Ų62.715%0.14737%0.368CS..SBendtrans-64.2-26.6174.61780000113.7R365 L441 G442 F558R365-S503 PolarHBondContact NE-OG 3.31Å; R365-S503 PolarHBondContact NH2-OG 2.77Å; L441-S503 WeakPolarHBondContact O-CB 3.34Å; G442-S503 PolarHBondContact O-N 3.34Å; S503-F558 WeakPolarHBondContact O-CD1 3.3Å; S503-F558 WeakPolarHBondContact O-CE1 3.41Å
504I87.9Confident66.2Low1 Ų161.6 Ų61.61%0.00536%0.359CS..BIsolated β-bridgetrans-141.8116.1167.2-51.9-176.8000105.6T361 D364 R365 L368 G442 L444 F445 P502 L507T361-I504 HydrophobicContact CG2-CD1 4.32Å; D364-I504 HydrophobicContact CB-CD1 3.47Å; D364-I504 VanDerWaalsContact CB-CD1 3.47Å; R365-I504 HydrophobicContact CG-CD1 3.99Å; R365-I504 HydrophobicContact CG-CG1 4.39Å; L368-I504 HydrophobicContact CD1-CD1 4.15Å; L368-I504 HydrophobicContact CD1-CG1 4.39Å; L368-I504 HydrophobicContact CD1-CG2 3.79Å; G442-I504 PolarHBondContact O-N 3.18Å; G442-I504 VanDerWaalsContact O-O 3.1Å; L444-I504 WeakPolarHBondContact CB-O 3.26Å; L444-I504 PolarHBondContact N-O 3.3Å; F445-I504 HydrophobicContact CB-CG2 3.78Å; P502-I504 PolarHBondContact O-N 2.91Å; I504-L507 HydrophobicContact CG2-CD1 4.37Å
505P86.4Confident67.9Low9 Ų961 Ų616%0.05835%0.345CS..  trans-66.8169.7178.528.1-32.9000111.3L384 P502 L507 W550L384-P505 HydrophobicContact CD1-CG 4.16Å; P502-P505 HydrophobicContact CG-CB 4.26Å; P505-L507 HydrophobicContact CG-CD2 3.92Å; P505-L507 PolarHBondContact O-N 3Å; P505-W550 HydrophobicContact CB-CH2 4.02Å; P505-W550 HydrophobicContact CB-CZ2 3.39Å; P505-W550 HydrophobicContact CG-CD2 3.83Å; P505-W550 VanDerWaalsContact CG-CE2 3.42Å; P505-W550 HydrophobicContact CG-CE3 4.14Å; P505-W550 HydrophobicContact CG-CH2 3.73Å; P505-W550 HydrophobicContact CG-CZ2 3.42Å; P505-W550 VanDerWaalsContact CG-CZ2 3.42Å; P505-W550 HydrophobicContact CG-CZ3 4.06Å
506D83.3Confident69.5Low24 Ų2459.4 Ų59.413%0.12833%0.325CS..  trans-74.3110.2173.3-165.6-11.2000109.2L444 S448 W508L444-D506 HydrophobicContact CB-CB 4.13Å; S448-D506 PolarHBondContact OG-OD2 3.09Å; D506-W508 VanDerWaalsContact C-N 3.33Å; D506-W508 WeakPolarHBondContact OD1-CB 3.49Å; D506-W508 PolarHBondContact OD1-N 2.97Å
507L87.5Confident70.8Confident0 Ų054 Ų540%030%0.301CS..  trans-81.5-16.8-177.1-52.3178.4000111.8L368 L384 L387 L399 F445 I504 P505 T509 V510 L511 W550L368-L507 HydrophobicContact CD1-CD1 4.49Å; L368-L507 HydrophobicContact CD2-CD1 4Å; L384-L507 HydrophobicContact CD2-CD1 4.4Å; L384-L507 HydrophobicContact CD2-CD2 3.88Å; L387-L507 HydrophobicContact CD1-CD1 4.48Å; L387-L507 HydrophobicContact CD1-CD2 4.12Å; L399-L507 HydrophobicContact CD1-CD1 3.86Å; L399-L507 HydrophobicContact CD2-CD1 4Å; F445-L507 HydrophobicContact CB-CD1 4.4Å; F445-L507 HydrophobicContact CB-CG 4.26Å; F445-L507 HydrophobicContact CD2-CB 3.79Å; F445-L507 HydrophobicContact CD2-CD1 3.87Å; F445-L507 HydrophobicContact CD2-CG 3.95Å; F445-L507 HydrophobicContact CE2-CB 4.28Å; F445-L507 HydrophobicContact CE2-CD1 4.23Å; F445-L507 HydrophobicContact CG-CD1 4.04Å; F445-L507 HydrophobicContact CG-CG 4.26Å; I504-L507 HydrophobicContact CG2-CD1 4.37Å; P505-L507 HydrophobicContact CG-CD2 3.92Å; P505-L507 PolarHBondContact O-N 3Å; L507-T509 PolarHBondContact O-N 3.08Å; L507-V510 PolarHBondContact O-N 2.96Å; L507-V510 VanDerWaalsContact O-N 3.11Å; L507-L511 HydrophobicContact CB-CD1 4.1Å; L507-L511 HydrophobicContact CB-CG 4.29Å; L507-L511 VanDerWaalsContact O-CG 3.31Å; L507-L511 WeakPolarHBondContact O-CG 3.39Å; L507-L511 PolarHBondContact O-N 3.44Å; L507-W550 HydrophobicContact CD2-CE3 4.49Å; L507-W550 HydrophobicContact CD2-CH2 3.77Å; L507-W550 HydrophobicContact CD2-CZ3 3.57Å
508W82.3Confident72.3Confident42 Ų4252 Ų5216%0.15930%0.296CS..Hα-helixtrans-59.1-40.1-167.4-85.3110.9000114.2A403 D506 V510 L511 R512A403-W508 HydrophobicContact CB-CH2 3.88Å; A403-W508 HydrophobicContact CB-CZ2 3.2Å; D506-W508 VanDerWaalsContact C-N 3.33Å; D506-W508 WeakPolarHBondContact OD1-CB 3.49Å; D506-W508 PolarHBondContact OD1-N 2.97Å; W508-V510 VanDerWaalsContact C-N 3.32Å; W508-V510 PolarHBondContact O-N 3.5Å; W508-L511 HydrophobicContact CE3-CD1 4.44Å; W508-L511 PolarHBondContact O-N 3.31Å; W508-R512 WeakPolarHBondContact O-CG 3.45Å; W508-R512 PolarHBondContact O-N 3.27Å
509T75.9Confident73.6Confident20 Ų2059.3 Ų59.312%0.12330%0.3CS..Hα-helixtrans-62.2-41179-48.20000111.7L507 L513 Y535 E543L507-T509 PolarHBondContact O-N 3.08Å; T509-L513 WeakPolarHBondContact O-CB 3.35Å; T509-L513 PolarHBondContact O-N 3Å; T509-L513 VanDerWaalsContact O-N 3.12Å; T509-Y535 HydrophobicContact CG2-CE2 4.22Å; T509-E543 HydrophobicContact CG2-CB 4.28Å; T509-E543 HydrophobicContact CG2-CG 3.79Å
510V81.2Confident74.2Confident3 Ų359.4 Ų59.42%0.01829%0.288CS..Hα-helixtrans-69.2-41175.7-174.50000110.6L387 L388 L507 W508 L513 F514 T547 W550L387-V510 HydrophobicContact CB-CG1 4.19Å; L388-V510 HydrophobicContact CD2-CG1 4.33Å; L507-V510 PolarHBondContact O-N 2.96Å; L507-V510 VanDerWaalsContact O-N 3.11Å; W508-V510 VanDerWaalsContact C-N 3.32Å; W508-V510 PolarHBondContact O-N 3.5Å; V510-L513 PolarHBondContact O-N 3.29Å; V510-F514 HydrophobicContact CG1-CD2 4.33Å; V510-F514 HydrophobicContact CG1-CE2 4.23Å; V510-F514 WeakPolarHBondContact O-CD2 3.19Å; V510-T547 HydrophobicContact CG1-CG2 4.25Å; V510-T547 HydrophobicContact CG2-CG2 3.68Å; V510-T547 WeakPolarHBondContact CG2-OG1 3.34Å; V510-W550 HydrophobicContact CG2-CH2 4.05Å; V510-W550 HydrophobicContact CG2-CZ3 4.31Å
511L85.7Confident74.3Confident0 Ų055.4 Ų55.40%029%0.285CS..Hα-helixtrans-62.6-44179.3-66.5175.4000112.2R396 L399 K400 F445 L507 W508 E515R396-L511 HydrophobicContact CB-CD2 3.82Å; R396-L511 HydrophobicContact CG-CD2 3.9Å; L399-L511 HydrophobicContact CB-CD1 3.82Å; L399-L511 HydrophobicContact CB-CD2 3.97Å; L399-L511 HydrophobicContact CD1-CD2 4.17Å; K400-L511 VanDerWaalsContact CE-O 3.3Å; K400-L511 WeakPolarHBondContact CE-O 3.38Å; K400-L511 HydrophobicContact CG-CB 4.17Å; K400-L511 HydrophobicContact CG-CD1 4.2Å; K400-L511 HydrophobicContact CG-CD2 4.47Å; F445-L511 HydrophobicContact CE2-CD1 4.1Å; L507-L511 HydrophobicContact CB-CD1 4.1Å; L507-L511 HydrophobicContact CB-CG 4.29Å; L507-L511 VanDerWaalsContact O-CG 3.31Å; L507-L511 WeakPolarHBondContact O-CG 3.39Å; L507-L511 PolarHBondContact O-N 3.44Å; W508-L511 HydrophobicContact CE3-CD1 4.44Å; W508-L511 PolarHBondContact O-N 3.31Å; L511-E515 WeakPolarHBondContact O-CG 3.25Å
512R76.3Confident74.1Confident51 Ų5152.9 Ų52.919%0.19227%0.273CS..Hα-helixtrans-66.8-42176.5-70.9-173.8-177.3178.90.7112W508 F514 E515 L527 D529W508-R512 WeakPolarHBondContact O-CG 3.45Å; W508-R512 PolarHBondContact O-N 3.27Å; R512-F514 PolarHBondContact O-N 3.02Å; R512-F514 VanDerWaalsContact O-N 3.16Å; R512-E515 WeakPolarHBondContact O-CB 3.3Å; R512-E515 PolarHBondContact O-N 2.84Å; R512-L527 HydrophobicContact CB-CD2 4.04Å; R512-L527 WeakPolarHBondContact CD-O 3.45Å; R512-L527 PolarHBondContact NH1-O 2.83Å; R512-L527 WeakPolarHBondContact O-CD2 3.39Å; R512-D529 IonicContact CZ-OD2 3.39Å; R512-D529 IonicContact NH1-OD2 3.98Å; R512-D529 PolarHBondContact NH1-OD2 3.18Å; R512-D529 IonicContact NH2-OD1 3.31Å; R512-D529 IonicContact NH2-OD2 2.84Å; R512-D529 PolarHBondContact NH2-OD2 2.93Å
513L77.5Confident73.1Confident45 Ų4554.3 Ų54.324%0.23628%0.281CS..Hα-helixtrans-57-36.1-176.4-177.866.6000113.4T509 V510 E515 L527 L540 L544T509-L513 WeakPolarHBondContact O-CB 3.35Å; T509-L513 PolarHBondContact O-N 3Å; T509-L513 VanDerWaalsContact O-N 3.12Å; V510-L513 PolarHBondContact O-N 3.29Å; L513-E515 VanDerWaalsContact C-N 3.31Å; L513-L527 HydrophobicContact CD1-CD1 3.92Å; L513-L540 HydrophobicContact CD1-CD1 4.1Å; L513-L544 HydrophobicContact CD2-CD1 3.83Å; L513-L544 HydrophobicContact CD2-CD2 3.61Å; L513-L544 HydrophobicContact CD2-CG 4.06Å
514F76.7Confident72Confident85 Ų8557.5 Ų57.537%0.37330%0.296SS..THydrogen-bonded Turntrans-87.37.6176.9-73.2-83.1000113.7L387 L388 V510 R512L387-F514 WeakPolarHBondContact O-CE2 3.4Å; L388-F514 HydrophobicContact CD2-CE2 4.33Å; L388-F514 WeakPolarHBondContact O-CZ 3.43Å; V510-F514 HydrophobicContact CG1-CD2 4.33Å; V510-F514 HydrophobicContact CG1-CE2 4.23Å; V510-F514 WeakPolarHBondContact O-CD2 3.19Å; R512-F514 PolarHBondContact O-N 3.02Å; R512-F514 VanDerWaalsContact O-N 3.16Å
515E69.5Low70.4Confident90 Ų9064.6 Ų64.642%0.42133%0.328SS..THydrogen-bonded Turntrans-92-41.1170.9-70-175.913200113.1K400 L511 R512 L513 D517K400-E515 WeakPolarHBondContact CD-OE1 3.39Å; K400-E515 WeakPolarHBondContact CE-OE1 3.41Å; K400-E515 IonicContact NZ-OE1 2.85Å; K400-E515 PolarHBondContact NZ-OE1 3.33Å; L511-E515 WeakPolarHBondContact O-CG 3.25Å; R512-E515 WeakPolarHBondContact O-CB 3.3Å; R512-E515 PolarHBondContact O-N 2.84Å; L513-E515 VanDerWaalsContact C-N 3.31Å; E515-D517 PolarHBondContact O-N 3.04Å
516A65.6Low68.8Low32 Ų3269.5 Ų69.526%0.26435%0.354SS..  trans-59.3107.3-178.600000110.1P518 D522 L527A516-P518 VanDerWaalsContact O-CD 3.28Å; A516-P518 WeakPolarHBondContact O-CD 3.23Å; A516-D522 HydrophobicContact CB-CB 4.19Å; A516-L527 HydrophobicContact CB-CD2 3.77Å; A516-L527 HydrophobicContact CB-CG 4.36Å
517D63.4Low67.4Low45 Ų4568.7 Ų68.724%0.24135%0.35CS..  trans-96.3103.4169.5-175.3-2000107.6E515 R519 K520 D522E515-D517 PolarHBondContact O-N 3.04Å; D517-R519 PolarHBondContact O-N 3.22Å; D517-R519 WeakPolarHBondContact OD1-CB 3.08Å; D517-R519 WeakPolarHBondContact OD1-CD 3.19Å; D517-R519 VanDerWaalsContact OD1-CG 3.24Å; D517-R519 WeakPolarHBondContact OD1-CG 3.14Å; D517-R519 PolarHBondContact OD1-N 3.47Å; D517-K520 HydrophobicContact CB-CB 4.39Å; D517-K520 HydrophobicContact CB-CD 3.89Å; D517-K520 HydrophobicContact CB-CG 3.96Å; D517-K520 PolarHBondContact O-N 2.99Å; D517-K520 WeakPolarHBondContact OD2-CE 3.13Å; D517-D522 PolarHBondContact N-OD2 3.33Å
518P59.9Low65.7Low112 Ų11269.9 Ų69.973%0.72736%0.357SS*.THydrogen-bonded Turntrans-60.9-9.617925.4-34.6000113A516A516-P518 VanDerWaalsContact O-CD 3.28Å; A516-P518 WeakPolarHBondContact O-CD 3.23Å
519R62.2Low64.2Low230 Ų23070.8 Ų70.887%0.86837%0.365SS*.THydrogen-bonded Turntrans-79-21171.8-54.3169.3177.2175.40.5113.5D517D517-R519 PolarHBondContact O-N 3.22Å; D517-R519 WeakPolarHBondContact OD1-CB 3.08Å; D517-R519 WeakPolarHBondContact OD1-CD 3.19Å; D517-R519 VanDerWaalsContact OD1-CG 3.24Å; D517-R519 WeakPolarHBondContact OD1-CG 3.14Å; D517-R519 PolarHBondContact OD1-N 3.47Å
520K61.4Low62.7Low151 Ų15175.7 Ų75.766%0.65740%0.397SS*.THydrogen-bonded Turntrans-88.3-7.7176.6-65.4178.3-165.8157.90113.2D517D517-K520 HydrophobicContact CB-CB 4.39Å; D517-K520 HydrophobicContact CB-CD 3.89Å; D517-K520 HydrophobicContact CB-CG 3.96Å; D517-K520 PolarHBondContact O-N 2.99Å; D517-K520 WeakPolarHBondContact OD2-CE 3.13Å
521G54.7Low61.2Low54 Ų5482.6 Ų82.656%0.55743%0.434SS*.THydrogen-bonded Turntrans90.60.7-17200000113.6T523G521-T523 PolarHBondContact O-N 2.85Å
522D61.5Low59.9Low61 Ų6183.6 Ų83.633%0.32644%0.439SS..  trans-55.5119.5174.5-53.7-17.2000109.2A516 D517A516-D522 HydrophobicContact CB-CB 4.19Å; D517-D522 PolarHBondContact N-OD2 3.33Å
523T55.3Low58.9Low64 Ų6489.9 Ų89.939%0.39347%0.471SS..  trans-92.9159.9-179.771.40000110.6G521 H525 D526G521-T523 PolarHBondContact O-N 2.85Å; T523-H525 PolarHBondContact O-N 3.14Å; T523-H525 VanDerWaalsContact O-N 3.13Å; T523-H525 PolarHBondContact OG1-N 3.18Å; T523-D526 WeakPolarHBondContact CA-OD2 3.26Å; T523-D526 WeakPolarHBondContact CB-OD2 3.48Å; T523-D526 PolarHBondContact N-OD2 3.4Å; T523-D526 WeakPolarHBondContact O-CB 3.33Å; T523-D526 PolarHBondContact O-N 3.06Å; T523-D526 PolarHBondContact OG1-OD2 2.99Å
524L58.4Low57.7Low89 Ų8994 Ų9447%0.46649%0.487SS..G310 helixtrans-61.1-21.3172.3-158.381.9000112.2D526 L527 L537 L540L524-D526 VanDerWaalsContact C-N 3.32Å; L524-L527 HydrophobicContact CD1-CD1 3.54Å; L524-L527 HydrophobicContact CG-CD1 4.12Å; L524-L527 WeakPolarHBondContact O-CB 3.32Å; L524-L527 PolarHBondContact O-N 3.22Å; L524-L537 HydrophobicContact CD2-CD2 3.63Å; L524-L540 HydrophobicContact CD1-CD1 4.21Å
525H53.3Low57.1Low149 Ų14991.6 Ų91.669%0.6948%0.476SS*.G310 helixtrans-68.7-29.7174.3-70.1-72.1000112.3T523 L527 T528T523-H525 PolarHBondContact O-N 3.14Å; T523-H525 VanDerWaalsContact O-N 3.13Å; T523-H525 PolarHBondContact OG1-N 3.18Å; H525-L527 PolarHBondContact O-N 3.29Å; H525-T528 WeakPolarHBondContact O-CB 3.38Å; H525-T528 PolarHBondContact O-N 3.43Å; H525-T528 PolarHBondContact O-OG1 3.1Å
526D53.7Low56.9Low112 Ų11288.8 Ų88.860%0.59947%0.471SS*.G310 helixtrans-72.1-11.3178.2-54.6-61.8000112.8T523 L524 T528T523-D526 WeakPolarHBondContact CA-OD2 3.26Å; T523-D526 WeakPolarHBondContact CB-OD2 3.48Å; T523-D526 PolarHBondContact N-OD2 3.4Å; T523-D526 WeakPolarHBondContact O-CB 3.33Å; T523-D526 PolarHBondContact O-N 3.06Å; T523-D526 PolarHBondContact OG1-OD2 2.99Å; L524-D526 VanDerWaalsContact C-N 3.32Å; D526-T528 VanDerWaalsContact C-N 3.29Å
527L53Low57.3Low7 Ų793.2 Ų93.24%0.03749%0.49CS..G310 helixtrans-75.8-20.1169.4-59.7-178000112.8R512 L513 A516 L524 H525 L540R512-L527 HydrophobicContact CB-CD2 4.04Å; R512-L527 WeakPolarHBondContact CD-O 3.45Å; R512-L527 PolarHBondContact NH1-O 2.83Å; R512-L527 WeakPolarHBondContact O-CD2 3.39Å; L513-L527 HydrophobicContact CD1-CD1 3.92Å; A516-L527 HydrophobicContact CB-CD2 3.77Å; A516-L527 HydrophobicContact CB-CG 4.36Å; L524-L527 HydrophobicContact CD1-CD1 3.54Å; L524-L527 HydrophobicContact CG-CD1 4.12Å; L524-L527 WeakPolarHBondContact O-CB 3.32Å; L524-L527 PolarHBondContact O-N 3.22Å; H525-L527 PolarHBondContact O-N 3.29Å; L527-L540 HydrophobicContact CD1-CD1 4.39Å
528T51.6Low57.9Low26 Ų2698.8 Ų98.816%0.1651%0.514CS..SBendtrans-95147-173.773.10000110.1H525 D526 Y535H525-T528 WeakPolarHBondContact O-CB 3.38Å; H525-T528 PolarHBondContact O-N 3.43Å; H525-T528 PolarHBondContact O-OG1 3.1Å; D526-T528 VanDerWaalsContact C-N 3.29Å; T528-Y535 HydrophobicContact CG2-CD1 3.24Å; T528-Y535 HydrophobicContact CG2-CD2 4.26Å; T528-Y535 HydrophobicContact CG2-CE1 3.76Å; T528-Y535 HydrophobicContact CG2-CG 3.5Å
529D52.1Low58.4Low61 Ų6195.2 Ų95.233%0.32649%0.49SS..  trans-68.2131.6156.5-79-86.1000106.3R491 R512 D531 D532R491-D529 IonicContact NH1-OD2 2.7Å; R491-D529 IonicContact NH2-OD2 3.41Å; R512-D529 IonicContact CZ-OD2 3.39Å; R512-D529 IonicContact NH1-OD2 3.98Å; R512-D529 PolarHBondContact NH1-OD2 3.18Å; R512-D529 IonicContact NH2-OD1 3.31Å; R512-D529 IonicContact NH2-OD2 2.84Å; R512-D529 PolarHBondContact NH2-OD2 2.93Å; D529-D531 PolarHBondContact O-N 2.99Å; D529-D532 HydrophobicContact CB-CB 4.36Å; D529-D532 VanDerWaalsContact O-CB 3.32Å; D529-D532 WeakPolarHBondContact O-CB 3.18Å; D529-D532 PolarHBondContact O-N 2.61Å
530P44.6Very low59Low122 Ų12285.2 Ų85.279%0.79245%0.454SS*.THydrogen-bonded Turntrans-62.3-13.8-172.320.6-31.4000114.3
531D49.4Very low59.9Low148 Ų14885.1 Ų85.179%0.79145%0.45SS*.THydrogen-bonded Turntrans-92.2-3174.6-59-37.5000113.8D529 E533D529-D531 PolarHBondContact O-N 2.99Å; D531-E533 PolarHBondContact O-N 3.41Å; D531-E533 VanDerWaalsContact O-N 3.11Å
532D58.8Low60.9Low21 Ų2185.9 Ų85.911%0.11244%0.441CS..  trans-85.177.6-177.1-165.8-14.5000111.4R491 D529 F534 Y535R491-D532 IonicContact NH1-OD2 3.61Å; R491-D532 PolarHBondContact NH1-OD2 2.96Å; D529-D532 HydrophobicContact CB-CB 4.36Å; D529-D532 VanDerWaalsContact O-CB 3.32Å; D529-D532 WeakPolarHBondContact O-CB 3.18Å; D529-D532 PolarHBondContact O-N 2.61Å; D532-F534 PolarHBondContact O-N 2.71Å; D532-F534 PolarHBondContact OD1-N 3.49Å; D532-Y535 PolarHBondContact O-N 3.46Å; D532-Y535 VanDerWaalsContact O-N 3.08Å; D532-Y535 PolarHBondContact OD1-N 3.19Å
533E54.4Low61.5Low183 Ų18385 Ų8586%0.85544%0.435SS*.THydrogen-bonded Turntrans-55.8-15.9175.6-65.3-170.6164.700113.8D531D531-E533 PolarHBondContact O-N 3.41Å; D531-E533 VanDerWaalsContact O-N 3.11Å
534F53.3Low62.6Low131 Ų13183.8 Ų83.858%0.57543%0.426SS*.THydrogen-bonded Turntrans-97.8-4.2-177.7-56.5-77.1000113.4D532 G536 T539D532-F534 PolarHBondContact O-N 2.71Å; D532-F534 PolarHBondContact OD1-N 3.49Å; F534-G536 PolarHBondContact O-N 3.27Å; F534-G536 VanDerWaalsContact O-N 3.16Å; F534-T539 PolarHBondContact O-OG1 2.99Å
535Y62.2Low63.7Low35 Ų3581.8 Ų81.814%0.13742%0.417CS..  trans-79.2100.9176.2-157.3-73000111.2T509 T528 D532 L540T509-Y535 HydrophobicContact CG2-CE2 4.22Å; T528-Y535 HydrophobicContact CG2-CD1 3.24Å; T528-Y535 HydrophobicContact CG2-CD2 4.26Å; T528-Y535 HydrophobicContact CG2-CE1 3.76Å; T528-Y535 HydrophobicContact CG2-CG 3.5Å; D532-Y535 PolarHBondContact O-N 3.46Å; D532-Y535 VanDerWaalsContact O-N 3.08Å; D532-Y535 PolarHBondContact OD1-N 3.19Å; Y535-L540 HydrophobicContact CE1-CB 4.25Å; Y535-L540 HydrophobicContact CE1-CD1 4.12Å
536G66.1Low64.9Low31 Ų3176.2 Ų76.232%0.3240%0.397SS..  trans-124.8173.3175.300000113.1F534 E538 T539 L540F534-G536 PolarHBondContact O-N 3.27Å; F534-G536 VanDerWaalsContact O-N 3.16Å; G536-E538 PolarHBondContact O-N 2.74Å; G536-T539 PolarHBondContact N-OG1 2.64Å; G536-T539 WeakPolarHBondContact O-CB 3.39Å; G536-T539 PolarHBondContact O-N 3.29Å; G536-T539 VanDerWaalsContact O-N 3.11Å; G536-L540 PolarHBondContact O-N 3.38Å
537L75Confident66Low126 Ų12670.9 Ų70.966%0.6637%0.368SS*.Hα-helixtrans-57.8-31.3174.6-73171.5000112.8L524 W541L524-L537 HydrophobicContact CD2-CD2 3.63Å; L537-W541 WeakPolarHBondContact O-CB 3.42Å; L537-W541 PolarHBondContact O-N 2.93Å
538E74.9Confident67.2Low162 Ų16275.9 Ų75.976%0.75739%0.387SS*.Hα-helixtrans-68.2-46174.6-62.6-175.116400111.2G536 L540 W541 D542G536-E538 PolarHBondContact O-N 2.74Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3Å; E538-W541 PolarHBondContact O-N 3.48Å; E538-D542 PolarHBondContact O-N 2.95Å
539T70.1Confident68.2Low36 Ų3679.3 Ų79.322%0.22140%0.401CS..Hα-helixtrans-56.5-47.4175.3-47.60000111.3R492 F534 G536 E543R492-T539 PolarHBondContact NH1-O 3.28Å; F534-T539 PolarHBondContact O-OG1 2.99Å; G536-T539 PolarHBondContact N-OG1 2.64Å; G536-T539 WeakPolarHBondContact O-CB 3.39Å; G536-T539 PolarHBondContact O-N 3.29Å; G536-T539 VanDerWaalsContact O-N 3.11Å; T539-E543 WeakPolarHBondContact O-CB 3.45Å; T539-E543 PolarHBondContact O-N 2.86Å; T539-E543 VanDerWaalsContact O-N 3.12Å
540L74.8Confident69.2Low21 Ų2177.2 Ų77.211%0.1139%0.388CS..Hα-helixtrans-67-40.9177.6178.2155.9000112.6L513 L524 L527 Y535 G536 E538 E543 L544L513-L540 HydrophobicContact CD1-CD1 4.1Å; L524-L540 HydrophobicContact CD1-CD1 4.21Å; L527-L540 HydrophobicContact CD1-CD1 4.39Å; Y535-L540 HydrophobicContact CE1-CB 4.25Å; Y535-L540 HydrophobicContact CE1-CD1 4.12Å; G536-L540 PolarHBondContact O-N 3.38Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3Å; L540-E543 PolarHBondContact O-N 3.31Å; L540-L544 HydrophobicContact CD2-CD1 3.79Å; L540-L544 WeakPolarHBondContact O-CG 3.33Å; L540-L544 PolarHBondContact O-N 3.47Å
541W80.1Confident69.9Low149 Ų14977.1 Ų77.156%0.56438%0.378SS*.Hα-helixtrans-61.9-50177.5170.3-94.9000111.4L537 E538 E543 L544 V545L537-W541 WeakPolarHBondContact O-CB 3.42Å; L537-W541 PolarHBondContact O-N 2.93Å; E538-W541 PolarHBondContact O-N 3.48Å; W541-E543 VanDerWaalsContact C-N 3.31Å; W541-E543 PolarHBondContact O-N 3.06Å; W541-L544 WeakPolarHBondContact O-CB 3.3Å; W541-L544 PolarHBondContact O-N 3.09Å; W541-V545 HydrophobicContact CD2-CG2 4.43Å; W541-V545 HydrophobicContact CZ2-CG2 4.17Å; W541-V545 WeakPolarHBondContact O-CG2 3.46Å; W541-V545 PolarHBondContact O-N 3.28Å
542D76.2Confident69.9Low70 Ų7074.4 Ų74.437%0.37437%0.37SS..Hα-helixtrans-65-36.6-179.5-74.5-10.4000111.8R492 E538 L544 V545 A546R492-D542 IonicContact CZ-OD2 3.2Å; R492-D542 VanDerWaalsContact NH2-CG 3.28Å; R492-D542 IonicContact NH2-OD2 2.71Å; R492-D542 PolarHBondContact NH2-OD2 3.09Å; E538-D542 PolarHBondContact O-N 2.95Å; D542-L544 VanDerWaalsContact C-N 3.34Å; D542-V545 PolarHBondContact O-N 3.45Å; D542-A546 WeakPolarHBondContact O-CB 3.48Å; D542-A546 PolarHBondContact O-N 3.42Å
543E74.7Confident69.5Low43 Ų4376.3 Ų76.320%0.20138%0.379CS..Hα-helixtrans-62.5-42174.8-167.261.3-143.300111.2T509 T539 L540 W541 V545 A546 T547T509-E543 HydrophobicContact CG2-CB 4.28Å; T509-E543 HydrophobicContact CG2-CG 3.79Å; T539-E543 WeakPolarHBondContact O-CB 3.45Å; T539-E543 PolarHBondContact O-N 2.86Å; T539-E543 VanDerWaalsContact O-N 3.12Å; L540-E543 PolarHBondContact O-N 3.31Å; W541-E543 VanDerWaalsContact C-N 3.31Å; W541-E543 PolarHBondContact O-N 3.06Å; E543-V545 VanDerWaalsContact C-N 3.33Å; E543-V545 PolarHBondContact O-N 3.16Å; E543-A546 PolarHBondContact O-N 2.94Å; E543-T547 WeakPolarHBondContact O-CB 3.42Å; E543-T547 PolarHBondContact O-N 3.05Å; E543-T547 PolarHBondContact O-OG1 3.15Å
544L79.1Confident69.1Low37 Ų3770.4 Ų70.419%0.19436%0.355CS..Hα-helixtrans-65.1-34.5173.2-78.1175.5000113.1L388 L513 L540 W541 D542 R548L388-L544 HydrophobicContact CD2-CD2 4.1Å; L513-L544 HydrophobicContact CD2-CD1 3.83Å; L513-L544 HydrophobicContact CD2-CD2 3.61Å; L513-L544 HydrophobicContact CD2-CG 4.06Å; L540-L544 HydrophobicContact CD2-CD1 3.79Å; L540-L544 WeakPolarHBondContact O-CG 3.33Å; L540-L544 PolarHBondContact O-N 3.47Å; W541-L544 WeakPolarHBondContact O-CB 3.3Å; W541-L544 PolarHBondContact O-N 3.09Å; D542-L544 VanDerWaalsContact C-N 3.34Å; L544-R548 WeakPolarHBondContact O-CG 3.39Å; L544-R548 PolarHBondContact O-N 3Å
545V81.5Confident68.6Low47 Ų4771.3 Ų71.329%0.28537%0.366SS..Hα-helixtrans-67.3-44.3173.4171.20000110.8W541 D542 E543 R548 Q549W541-V545 HydrophobicContact CD2-CG2 4.43Å; W541-V545 HydrophobicContact CZ2-CG2 4.17Å; W541-V545 WeakPolarHBondContact O-CG2 3.46Å; W541-V545 PolarHBondContact O-N 3.28Å; D542-V545 PolarHBondContact O-N 3.45Å; E543-V545 VanDerWaalsContact C-N 3.33Å; E543-V545 PolarHBondContact O-N 3.16Å; V545-R548 PolarHBondContact O-N 3.39Å; V545-Q549 PolarHBondContact O-N 2.84Å
546A77.6Confident67.8Low32 Ų3273.8 Ų73.826%0.26438%0.381SS..Hα-helixtrans-62.4-44.2174.800000111.7D542 E543 R548 Q549 W550D542-A546 WeakPolarHBondContact O-CB 3.48Å; D542-A546 PolarHBondContact O-N 3.42Å; E543-A546 PolarHBondContact O-N 2.94Å; A546-R548 PolarHBondContact O-N 3.13Å; A546-Q549 WeakPolarHBondContact O-CA 3.37Å; A546-Q549 WeakPolarHBondContact O-CB 3.41Å; A546-Q549 PolarHBondContact O-N 3.45Å; A546-W550 VanDerWaalsContact O-CD1 3.28Å; A546-W550 PolarHBondContact O-N 2.86Å; A546-W550 PolarHBondContact O-NE1 3.24Å
547T77.7Confident66.5Low0 Ų075.6 Ų75.60%039%0.387CS..Hα-helixtrans-57.1-36.5177.1-54.60000112.2L388 V510 E543 Q549 W550L388-T547 HydrophobicContact CD1-CG2 3.78Å; L388-T547 HydrophobicContact CD2-CG2 3.52Å; L388-T547 HydrophobicContact CG-CG2 3.6Å; V510-T547 HydrophobicContact CG1-CG2 4.25Å; V510-T547 HydrophobicContact CG2-CG2 3.68Å; V510-T547 WeakPolarHBondContact CG2-OG1 3.34Å; E543-T547 WeakPolarHBondContact O-CB 3.42Å; E543-T547 PolarHBondContact O-N 3.05Å; E543-T547 PolarHBondContact O-OG1 3.15Å; T547-Q549 VanDerWaalsContact C-N 3.33Å; T547-W550 HydrophobicContact CG2-CD2 4.31Å; T547-W550 HydrophobicContact CG2-CE3 3.71Å; T547-W550 HydrophobicContact CG2-CH2 4.07Å; T547-W550 HydrophobicContact CG2-CZ3 3.62Å; T547-W550 WeakPolarHBondContact O-CB 3.46Å; T547-W550 PolarHBondContact O-N 3.36Å
548R77Confident65.2Low113 Ų11371.8 Ų71.843%0.42637%0.365SS..Hα-helixtrans-68.5-30.1174.7-72170.3-178.8-177.63.3112.8L388 L544 V545 A546 W550 Q551L388-R548 HydrophobicContact CD1-CG 3.77Å; L544-R548 WeakPolarHBondContact O-CG 3.39Å; L544-R548 PolarHBondContact O-N 3Å; V545-R548 PolarHBondContact O-N 3.39Å; A546-R548 PolarHBondContact O-N 3.13Å; R548-W550 VanDerWaalsContact C-N 3.32Å; R548-Q551 WeakPolarHBondContact O-CB 3.23Å; R548-Q551 PolarHBondContact O-N 3.01Å
549Q73.6Confident63.5Low98 Ų9867.3 Ų67.346%0.45836%0.357SS..Hα-helixtrans-73.7-22.2179.3-66.1171.84.600112.7V545 A546 T547 Q551 S552 E553V545-Q549 PolarHBondContact O-N 2.84Å; A546-Q549 WeakPolarHBondContact O-CA 3.37Å; A546-Q549 WeakPolarHBondContact O-CB 3.41Å; A546-Q549 PolarHBondContact O-N 3.45Å; T547-Q549 VanDerWaalsContact C-N 3.33Å; Q549-Q551 PolarHBondContact O-N 3.47Å; Q549-S552 PolarHBondContact O-N 3.26Å; Q549-S552 PolarHBondContact O-OG 3.34Å; Q549-E553 PolarHBondContact O-N 3.18Å
550W71.9Confident61.9Low16 Ų1672.8 Ų72.86%0.06138%0.38CS..THydrogen-bonded Turntrans-57.3-22.1172.5-55.3-14.9000112.8L384 P505 L507 V510 A546 T547 R548L384-W550 HydrophobicContact CB-CB 4.3Å; L384-W550 HydrophobicContact CB-CE3 3.93Å; L384-W550 HydrophobicContact CD1-CB 4.44Å; L384-W550 HydrophobicContact CD1-CD2 4.35Å; L384-W550 HydrophobicContact CD1-CE3 4.1Å; L384-W550 HydrophobicContact CG-CE3 4.46Å; P505-W550 HydrophobicContact CB-CH2 4.02Å; P505-W550 HydrophobicContact CB-CZ2 3.39Å; P505-W550 HydrophobicContact CG-CD2 3.83Å; P505-W550 VanDerWaalsContact CG-CE2 3.42Å; P505-W550 HydrophobicContact CG-CE3 4.14Å; P505-W550 HydrophobicContact CG-CH2 3.73Å; P505-W550 HydrophobicContact CG-CZ2 3.42Å; P505-W550 VanDerWaalsContact CG-CZ2 3.42Å; P505-W550 HydrophobicContact CG-CZ3 4.06Å; L507-W550 HydrophobicContact CD2-CE3 4.49Å; L507-W550 HydrophobicContact CD2-CH2 3.77Å; L507-W550 HydrophobicContact CD2-CZ3 3.57Å; V510-W550 HydrophobicContact CG2-CH2 4.05Å; V510-W550 HydrophobicContact CG2-CZ3 4.31Å; A546-W550 VanDerWaalsContact O-CD1 3.28Å; A546-W550 PolarHBondContact O-N 2.86Å; A546-W550 PolarHBondContact O-NE1 3.24Å; T547-W550 HydrophobicContact CG2-CD2 4.31Å; T547-W550 HydrophobicContact CG2-CE3 3.71Å; T547-W550 HydrophobicContact CG2-CH2 4.07Å; T547-W550 HydrophobicContact CG2-CZ3 3.62Å; T547-W550 WeakPolarHBondContact O-CB 3.46Å; T547-W550 PolarHBondContact O-N 3.36Å; R548-W550 VanDerWaalsContact C-N 3.32Å
551Q59.2Low60Low121 Ų12177.3 Ų77.357%0.56540%0.399SS*.THydrogen-bonded Turntrans-68.6-39.1173.7-168.5-178.52.400112.7R548 Q549 T554R548-Q551 WeakPolarHBondContact O-CB 3.23Å; R548-Q551 PolarHBondContact O-N 3.01Å; Q549-Q551 PolarHBondContact O-N 3.47Å; Q551-T554 PolarHBondContact O-OG1 3.23Å; Q551-T554 VanDerWaalsContact O-OG1 3.08Å
552S50.2Low57.5Low91 Ų9173 Ų7364%0.63639%0.39SS*.THydrogen-bonded Turntrans-79.2-27.3-179.434.80000113.5Q549 T554Q549-S552 PolarHBondContact O-N 3.26Å; Q549-S552 PolarHBondContact O-OG 3.34Å; S552-T554 VanDerWaalsContact C-N 3.31Å; S552-T554 PolarHBondContact O-N 3.34Å
553E50.2Low55.4Low61 Ų6174.6 Ų74.629%0.28540%0.402SS..THydrogen-bonded Turntrans-83-5.4-175.2-65.9177.4164.600113.4Q549 N555 P557Q549-E553 PolarHBondContact O-N 3.18Å; E553-N555 PolarHBondContact O-N 3.05Å; E553-P557 WeakPolarHBondContact O-CD 3.35Å
554T46.8Very low53.3Low59 Ų5975.3 Ų75.336%0.36242%0.421SS..THydrogen-bonded Turntrans-72.37.2177.546.80000116N383 Q551 S552 N556 F558N383-T554 HydrophobicContact CB-CG2 4.08Å; N383-T554 PolarHBondContact ND2-OG1 3.06Å; Q551-T554 PolarHBondContact O-OG1 3.23Å; Q551-T554 VanDerWaalsContact O-OG1 3.08Å; S552-T554 VanDerWaalsContact C-N 3.31Å; S552-T554 PolarHBondContact O-N 3.34Å; T554-N556 PolarHBondContact O-N 2.95Å; T554-F558 HydrophobicContact CG2-CD2 4.34Å; T554-F558 HydrophobicContact CG2-CE2 4.42Å
555N41.5Very low50.9Low149 Ų14980.2 Ų80.280%0.79745%0.448SS*.SBendtrans-74.565.9156.6-94.7-10.8000111E553E553-N555 PolarHBondContact O-N 3.05Å
556N45.3Very low48.6Very low88 Ų8882 Ų8247%0.47146%0.455SS..SBendtrans64.358.8154.1-153.321000120.9T554 A559T554-N556 PolarHBondContact O-N 2.95Å; N556-A559 VanDerWaalsContact OD1-CB 3.29Å; N556-A559 WeakPolarHBondContact OD1-CB 3.33Å
557P40.3Very low46.7Very low68 Ų6884.3 Ų84.344%0.44246%0.46SS..SBendtrans-99.7-26.6148.4-4.222000112.6E553 A559E553-P557 WeakPolarHBondContact O-CD 3.35Å; P557-A559 PolarHBondContact O-N 3.01Å
558F46Very low44.5Very low46 Ų4692.5 Ų92.520%0.20250%0.498CS..THydrogen-bonded Turntrans-75.2-21.5-173.8-64.3-86.8000114R365 L384 S503 T554R365-F558 PolarHBondContact NH1-O 3.28Å; L384-F558 HydrophobicContact CD1-CE1 4.34Å; L384-F558 HydrophobicContact CD1-CZ 4.32Å; S503-F558 WeakPolarHBondContact O-CD1 3.3Å; S503-F558 WeakPolarHBondContact O-CE1 3.41Å; T554-F558 HydrophobicContact CG2-CD2 4.34Å; T554-F558 HydrophobicContact CG2-CE2 4.42Å
559A40.1Very low42.5Very low69 Ų6995.5 Ų95.557%0.5752%0.517SS*.THydrogen-bonded Turntrans-106.30.9-174.900000115.1N556 P557 F561N556-A559 VanDerWaalsContact OD1-CB 3.29Å; N556-A559 WeakPolarHBondContact OD1-CB 3.33Å; P557-A559 PolarHBondContact O-N 3.01Å; A559-F561 PolarHBondContact O-N 3.4Å
560E36.4Very low40.5Very low151 Ų15193.4 Ų93.471%0.70652%0.516SS*.  trans-79.435.5173.7-64.8-163.9156.900113.7
561F34.5Very low38.5Very low116 Ų11695.8 Ų95.851%0.50955%0.545SS..SBendtrans-121.9136.8159.8-88.1-104000108.5A559 T563A559-F561 PolarHBondContact O-N 3.4Å; F561-T563 PolarHBondContact O-N 2.88Å
562P28.8Very low37.4Very low58 Ų5899.3 Ų99.338%0.37756%0.562SS.*  trans-53.5111.9-170.220.2-33.3000111.3D566 F567P562-D566 HydrophobicContact CB-CB 3.52Å; P562-F567 HydrophobicContact CB-CD2 4.44Å; P562-F567 HydrophobicContact CB-CE2 4.13Å; P562-F567 HydrophobicContact CB-CZ 4.47Å; P562-F567 HydrophobicContact CG-CE2 4.21Å; P562-F567 HydrophobicContact CG-CZ 4.07Å; P562-F567 WeakPolarHBondContact O-CE2 3.45Å
563T31.4Very low37Very low103 Ų103104.2 Ų104.263%0.63257%0.572SS**  trans-60.6156.5159.7370000108.6F561 N565 D566F561-T563 PolarHBondContact O-N 2.88Å; T563-N565 PolarHBondContact O-N 2.97Å; T563-D566 PolarHBondContact N-OD2 3.22Å; T563-D566 PolarHBondContact O-N 2.99Å; T563-D566 PolarHBondContact OG1-OD2 2.68Å
564G30.4Very low36.8Very low59 Ų59107.5 Ų107.561%0.60859%0.591SS**THydrogen-bonded Turntrans-51.8-17.1-163.500000117.7
565N29.5Very low37.1Very low140 Ų140107.2 Ų107.275%0.74960%0.595SS**THydrogen-bonded Turntrans-86.6-17.6179.8-61.41.7000113.9T563 F567T563-N565 PolarHBondContact O-N 2.97Å; N565-F567 VanDerWaalsContact C-N 3.3Å; N565-F567 PolarHBondContact O-N 3.45Å
566D31.8Very low37.9Very low83 Ų83100.9 Ų100.944%0.44456%0.563SS.*G310 helixtrans-82.7-9-178.2-58.9-52.4000112.9P562 T563 E568 H569 A570P562-D566 HydrophobicContact CB-CB 3.52Å; T563-D566 PolarHBondContact N-OD2 3.22Å; T563-D566 PolarHBondContact O-N 2.99Å; T563-D566 PolarHBondContact OG1-OD2 2.68Å; D566-E568 PolarHBondContact O-N 2.92Å; D566-H569 PolarHBondContact O-N 3.27Å; D566-A570 PolarHBondContact O-N 2.81Å
567F37.4Very low39.1Very low82 Ų82100.3 Ų100.336%0.3656%0.564SS.*G310 helixtrans-68.1-12.8176.2-76.9-83.7000114P562 N565 H569 A575P562-F567 HydrophobicContact CB-CD2 4.44Å; P562-F567 HydrophobicContact CB-CE2 4.13Å; P562-F567 HydrophobicContact CB-CZ 4.47Å; P562-F567 HydrophobicContact CG-CE2 4.21Å; P562-F567 HydrophobicContact CG-CZ 4.07Å; P562-F567 WeakPolarHBondContact O-CE2 3.45Å; N565-F567 VanDerWaalsContact C-N 3.3Å; N565-F567 PolarHBondContact O-N 3.45Å; F567-H569 PolarHBondContact O-N 3.45Å; F567-A575 HydrophobicContact CD1-CB 3.82Å; F567-A575 HydrophobicContact CE1-CB 3.59Å
568E32.6Very low40.5Very low172 Ų172103.9 Ų103.980%0.80458%0.579SS**G310 helixtrans-73.9-15.3172.2-64.8-167.3152.800113D566D566-E568 PolarHBondContact O-N 2.92Å
569H34.6Very low42Very low176 Ų176104 Ų10482%0.81559%0.588SS**THydrogen-bonded Turntrans-125.8-13.5-173.4-69.273000114.5D566 F567D566-H569 PolarHBondContact O-N 3.27Å; F567-H569 PolarHBondContact O-N 3.45Å
570A30.9Very low44.3Very low53 Ų53101.4 Ų101.444%0.43857%0.565SS.*SBendtrans-95.1122.6166.200000109.8D566 E572D566-A570 PolarHBondContact O-N 2.81Å; A570-E572 PolarHBondContact O-N 3.36Å
571G30.2Very low46.8Very low66 Ų6698.3 Ų98.368%0.6855%0.547SS*.  trans-48.4135.4-167.800000115.5K573G571-K573 PolarHBondContact O-N 3.16Å
572E36.2Very low49.5Very low196 Ų19693.8 Ų93.892%0.91653%0.527SS*.THydrogen-bonded Turntrans-55.511-169.3-152.7176-167.600117.6A570A570-E572 PolarHBondContact O-N 3.36Å
573K42.5Very low52.7Low194 Ų19491 Ų9184%0.84351%0.509SS*.THydrogen-bonded Turntrans-106.2-20.5-169-70.9-173.2174.4-178.60116.3G571G571-K573 PolarHBondContact O-N 3.16Å
574D45.8Very low55.7Low130 Ų13086.1 Ų86.170%0.69548%0.479SS*.SBendtrans-109.6-2.8-173.2-72.9-51.7000114.6R358 A576R358-D574 PolarHBondContact NH1-O 3.11Å; D574-A576 PolarHBondContact O-N 3.44Å
575A52.6Low58.8Low52 Ų5287 Ų8743%0.4347%0.467SS..PPolyproline II helixtrans-67.4118.6174.800000110.5F567F567-A575 HydrophobicContact CD1-CB 3.82Å; F567-A575 HydrophobicContact CE1-CB 3.59Å
576A58.6Low61.9Low17 Ų1780.6 Ų80.614%0.1443%0.434CS..PPolyproline II helixtrans-62.4133.6172.700000109.4E355 C359 D574 L578E355-A576 HydrophobicContact CB-CB 4.44Å; C359-A576 VanDerWaalsContact SG-CB 3.55Å; D574-A576 PolarHBondContact O-N 3.44Å; A576-L578 PolarHBondContact O-N 3.19Å
577P70.2Confident64.9Low75 Ų7578.1 Ų78.149%0.48742%0.419SS..PPolyproline II helixtrans-47.8134.2-178.8-3133.3000112.8A579 L580P577-A579 PolarHBondContact O-N 2.91Å; P577-A579 VanDerWaalsContact O-N 3.1Å; P577-L580 HydrophobicContact CB-CG 4.4Å; P577-L580 HydrophobicContact CG-CD1 4.35Å; P577-L580 WeakPolarHBondContact O-CB 3.29Å; P577-L580 PolarHBondContact O-N 3.37Å
578L69.4Low67.7Low143 Ų14374.2 Ų74.275%0.74940%0.402SS*.Hα-helixtrans-52.3-36.8179-68.3169.8000111.9A576 L580 R581 E582A576-L578 PolarHBondContact O-N 3.19Å; L578-L580 VanDerWaalsContact C-N 3.25Å; L578-L580 PolarHBondContact O-N 2.88Å; L578-R581 WeakPolarHBondContact O-CB 3.36Å; L578-R581 PolarHBondContact O-N 3.07Å; L578-E582 PolarHBondContact O-N 3.23Å
579A78Confident70.7Confident49 Ų4966 Ų6641%0.40536%0.364SS..Hα-helixtrans-64.2-19.2176.700000115.4R328 P577R328-A579 PolarHBondContact NH1-O 2.89Å; P577-A579 PolarHBondContact O-N 2.91Å; P577-A579 VanDerWaalsContact O-N 3.1Å
580L89.2Confident73.6Confident14 Ų1457.7 Ų57.77%0.07333%0.325CS..Hα-helixtrans-86.9-22.3170.9-69.7-179.5000112.4D347 A351 P577 L578 L583 F584D347-L580 HydrophobicContact CB-CD2 4.09Å; A351-L580 HydrophobicContact CB-CD1 3.65Å; A351-L580 HydrophobicContact CB-CD2 4.27Å; P577-L580 HydrophobicContact CB-CG 4.4Å; P577-L580 HydrophobicContact CG-CD1 4.35Å; P577-L580 WeakPolarHBondContact O-CB 3.29Å; P577-L580 PolarHBondContact O-N 3.37Å; L578-L580 VanDerWaalsContact C-N 3.25Å; L578-L580 PolarHBondContact O-N 2.88Å; L580-L583 HydrophobicContact CD2-CD1 3.89Å; L580-F584 VanDerWaalsContact O-CD2 3.24Å; L580-F584 WeakPolarHBondContact O-CD2 3.31Å
581R88.7Confident76.7Confident86 Ų8657 Ų5733%0.32531%0.312SS..Hα-helixtrans-72.3-40.7178.2-64.3176.363.3160.3-0.9111.1C359 S362 L578 L583 F584C359-R581 HydrophobicContact CB-CG 4.4Å; S362-R581 PolarHBondContact OG-NH2 3.27Å; L578-R581 WeakPolarHBondContact O-CB 3.36Å; L578-R581 PolarHBondContact O-N 3.07Å; R581-L583 PolarHBondContact O-N 2.98Å; R581-F584 PolarHBondContact O-N 3.2Å
582E92Very high79.8Confident22 Ų2253.8 Ų53.810%0.10328%0.28CS..G310 helixtrans-51.4-38.5175-163.6-177.3-175.900111.9Y324 S326 S327 R328 L578 F584 E585 F588Y324-E582 WeakPolarHBondContact OH-CG 3.26Å; S326-E582 WeakPolarHBondContact CA-OE1 3.12Å; S326-E582 WeakPolarHBondContact CB-OE1 3.5Å; S326-E582 PolarHBondContact OG-OE1 3.22Å; S327-E582 PolarHBondContact N-OE1 3.04Å; S327-E582 VanDerWaalsContact N-OE1 3.11Å; R328-E582 VanDerWaalsContact CD-OE2 3.27Å; R328-E582 WeakPolarHBondContact CD-OE2 3.47Å; R328-E582 WeakPolarHBondContact CG-OE2 3.38Å; L578-E582 PolarHBondContact O-N 3.23Å; E582-F584 PolarHBondContact O-N 3.4Å; E582-E585 PolarHBondContact O-N 3Å; E582-E585 VanDerWaalsContact O-N 3.1Å; E582-F588 HydrophobicContact CG-CD2 3.83Å; E582-F588 HydrophobicContact CG-CE2 4.26Å; E582-F588 WeakPolarHBondContact O-CB 3.23Å; E582-F588 VanDerWaalsContact O-CG 3.23Å; E582-F588 WeakPolarHBondContact O-CG 3.33Å
583L94.2Very high82.6Confident0 Ų044.6 Ų44.60%024%0.237CC..G310 helixtrans-60.2-19.4178.5-57.2-174.5000114.7L344 D347 L348 L580 R581 F588 Q589L344-L583 HydrophobicContact CD2-CD2 3.74Å; D347-L583 HydrophobicContact CB-CD1 4.4Å; L348-L583 HydrophobicContact CD2-CD1 4.4Å; L580-L583 HydrophobicContact CD2-CD1 3.89Å; R581-L583 PolarHBondContact O-N 2.98Å; L583-F588 HydrophobicContact CD2-CD1 4.41Å; L583-F588 HydrophobicContact CD2-CE1 3.57Å; L583-F588 HydrophobicContact CD2-CE2 4.38Å; L583-F588 HydrophobicContact CD2-CZ 3.55Å; L583-Q589 VanDerWaalsContact O-CG 3.31Å; L583-Q589 WeakPolarHBondContact O-CG 3.21Å; L583-Q589 PolarHBondContact O-NE2 3.02Å
584F95.7Very high85.1Confident0 Ų036.2 Ų36.20%020%0.2CC..G310 helixtrans-113.310.5-177.7-60.3-70.5000113L348 L356 C359 I360 A363 K402 L406 W430 L580 R581 E582L348-F584 HydrophobicContact CD2-CZ 4.05Å; L356-F584 HydrophobicContact CB-CE2 4.41Å; L356-F584 HydrophobicContact CB-CZ 4.19Å; L356-F584 HydrophobicContact CD2-CE2 3.85Å; L356-F584 HydrophobicContact CD2-CZ 3.95Å; C359-F584 HydrophobicContact CB-CD2 3.48Å; C359-F584 VanDerWaalsContact CB-CD2 3.48Å; C359-F584 HydrophobicContact CB-CE2 3.89Å; C359-F584 HydrophobicContact CB-CG 4.42Å; I360-F584 HydrophobicContact CB-CD1 4.48Å; I360-F584 HydrophobicContact CD1-CD1 4.06Å; I360-F584 HydrophobicContact CD1-CE1 3.65Å; I360-F584 HydrophobicContact CD1-CZ 4.09Å; I360-F584 HydrophobicContact CG1-CB 4.41Å; I360-F584 HydrophobicContact CG1-CD1 3.26Å; I360-F584 HydrophobicContact CG1-CD2 4.19Å; I360-F584 HydrophobicContact CG1-CE1 3.36Å; I360-F584 HydrophobicContact CG1-CE2 4.28Å; I360-F584 HydrophobicContact CG1-CG 3.69Å; I360-F584 HydrophobicContact CG1-CZ 3.89Å; A363-F584 HydrophobicContact CB-CB 4.19Å; A363-F584 VanDerWaalsContact CB-O 3.23Å; A363-F584 WeakPolarHBondContact CB-O 3.38Å; K402-F584 PolarHBondContact NZ-O 2.94Å; L406-F584 HydrophobicContact CD1-CD1 4.39Å; W430-F584 HydrophobicContact CH2-CE1 4.02Å; W430-F584 HydrophobicContact CH2-CZ 4.44Å; W430-F584 HydrophobicContact CZ3-CE1 4.48Å; L580-F584 VanDerWaalsContact O-CD2 3.24Å; L580-F584 WeakPolarHBondContact O-CD2 3.31Å; R581-F584 PolarHBondContact O-N 3.2Å; E582-F584 PolarHBondContact O-N 3.4Å
585E94.7Very high87.4Confident76 Ų7630.1 Ų30.136%0.35517%0.167SC..SBendtrans-76.2139.1164.6-66.1172.5172.200109.3Y324 E582 E587 F588 Q589Y324-E585 WeakPolarHBondContact CE2-OE2 3.24Å; Y324-E585 VanDerWaalsContact CZ-OE2 3.3Å; Y324-E585 PolarHBondContact OH-OE2 3.31Å; E582-E585 PolarHBondContact O-N 3Å; E582-E585 VanDerWaalsContact O-N 3.1Å; E585-E587 VanDerWaalsContact C-N 3.33Å; E585-E587 PolarHBondContact O-N 2.75Å; E585-F588 HydrophobicContact CB-CB 4.16Å; E585-F588 WeakPolarHBondContact O-CB 3.42Å; E585-F588 PolarHBondContact O-N 2.92Å; E585-Q589 WeakPolarHBondContact O-CG 3.22Å; E585-Q589 PolarHBondContact O-N 3.11Å; E585-Q589 VanDerWaalsContact O-N 3.14Å
586T95.6Very high89.2Confident7 Ų729.2 Ų29.24%0.04316%0.16CC..Hα-helixtrans-67-39.6-172.7-42.60000111.1I319 E401 K402 C405 F588 Q589 I590I319-T586 HydrophobicContact CD1-CG2 3.86Å; I319-T586 HydrophobicContact CG2-CG2 4.48Å; E401-T586 HydrophobicContact CG-CG2 4.23Å; K402-T586 HydrophobicContact CB-CG2 4.43Å; K402-T586 HydrophobicContact CD-CG2 4.42Å; K402-T586 WeakPolarHBondContact CD-OG1 3.37Å; C405-T586 HydrophobicContact CB-CG2 4.17Å; T586-F588 VanDerWaalsContact C-N 3.32Å; T586-F588 PolarHBondContact O-N 3.02Å; T586-Q589 PolarHBondContact O-N 2.7Å; T586-I590 HydrophobicContact CG2-CD1 3.98Å; T586-I590 HydrophobicContact CG2-CG1 4.39Å; T586-I590 VanDerWaalsContact O-CG1 3.23Å; T586-I590 WeakPolarHBondContact O-CG1 3.17Å; T586-I590 PolarHBondContact O-N 3.31Å
587E94.7Very high90.7Very high30 Ų3037.4 Ų37.414%0.1419%0.192CC..Hα-helixtrans-61.1-39.2176.7-6490.7147.700112.5I319 N320 V321 Y324 E585 K591I319-E587 VanDerWaalsContact CA-OE1 3.32Å; I319-E587 WeakPolarHBondContact CA-OE1 3.49Å; I319-E587 HydrophobicContact CG2-CG 3.76Å; N320-E587 PolarHBondContact N-OE1 3.24Å; V321-E587 HydrophobicContact CG2-CG 4.18Å; Y324-E587 HydrophobicContact CD1-CB 3.71Å; Y324-E587 HydrophobicContact CD2-CB 3.55Å; Y324-E587 HydrophobicContact CD2-CG 4.1Å; Y324-E587 HydrophobicContact CE1-CB 4.22Å; Y324-E587 HydrophobicContact CE2-CB 4.08Å; Y324-E587 HydrophobicContact CG-CB 3.34Å; Y324-E587 HydrophobicContact CG-CG 4.1Å; E585-E587 VanDerWaalsContact C-N 3.33Å; E585-E587 PolarHBondContact O-N 2.75Å; E587-K591 PolarHBondContact O-N 2.93Å
588F95.5Very high91.7Very high0 Ų035.6 Ų35.60%018%0.183CC..Hα-helixtrans-60.5-52.9173.2-177.2-87.8000110.8Y324 R328 L329 L344 E582 L583 E585 T586 I590 K591 A592Y324-F588 HydrophobicContact CE1-CB 3.99Å; Y324-F588 HydrophobicContact CE1-CD2 4.39Å; R328-F588 HydrophobicContact CB-CE2 4.11Å; L329-F588 HydrophobicContact CD1-CD2 3.77Å; L329-F588 HydrophobicContact CD1-CE2 3.81Å; L329-F588 HydrophobicContact CD1-CG 4.3Å; L329-F588 HydrophobicContact CD1-CZ 4.35Å; L329-F588 HydrophobicContact CD2-CE2 3.88Å; L329-F588 HydrophobicContact CD2-CZ 3.85Å; L329-F588 HydrophobicContact CG-CD2 4.02Å; L329-F588 HydrophobicContact CG-CE2 3.55Å; L329-F588 HydrophobicContact CG-CZ 4.06Å; L344-F588 HydrophobicContact CD1-CE1 3.98Å; L344-F588 HydrophobicContact CD1-CZ 4.19Å; L344-F588 HydrophobicContact CD2-CE1 4.37Å; L344-F588 HydrophobicContact CD2-CZ 3.93Å; E582-F588 HydrophobicContact CG-CD2 3.83Å; E582-F588 HydrophobicContact CG-CE2 4.26Å; E582-F588 WeakPolarHBondContact O-CB 3.23Å; E582-F588 VanDerWaalsContact O-CG 3.23Å; E582-F588 WeakPolarHBondContact O-CG 3.33Å; L583-F588 HydrophobicContact CD2-CD1 4.41Å; L583-F588 HydrophobicContact CD2-CE1 3.57Å; L583-F588 HydrophobicContact CD2-CE2 4.38Å; L583-F588 HydrophobicContact CD2-CZ 3.55Å; E585-F588 HydrophobicContact CB-CB 4.16Å; E585-F588 WeakPolarHBondContact O-CB 3.42Å; E585-F588 PolarHBondContact O-N 2.92Å; T586-F588 VanDerWaalsContact C-N 3.32Å; T586-F588 PolarHBondContact O-N 3.02Å; F588-I590 VanDerWaalsContact C-N 3.31Å; F588-I590 PolarHBondContact O-N 3.2Å; F588-K591 PolarHBondContact O-N 2.53Å; F588-A592 HydrophobicContact CE1-CB 4.26Å; F588-A592 WeakPolarHBondContact O-CB 3.48Å; F588-A592 PolarHBondContact O-N 3.07Å
589Q96.1Very high92.7Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-61.9-40.7-178-65.3-179.1-24.700111C405 F409 L583 E585 T586 A592 L593C405-Q589 WeakPolarHBondContact SG-CB 3.35Å; F409-Q589 HydrophobicContact CD2-CB 4.23Å; F409-Q589 HydrophobicContact CD2-CG 3.85Å; F409-Q589 HydrophobicContact CE2-CG 4.26Å; F409-Q589 HydrophobicContact CG-CG 4.15Å; L583-Q589 VanDerWaalsContact O-CG 3.31Å; L583-Q589 WeakPolarHBondContact O-CG 3.21Å; L583-Q589 PolarHBondContact O-NE2 3.02Å; E585-Q589 WeakPolarHBondContact O-CG 3.22Å; E585-Q589 PolarHBondContact O-N 3.11Å; E585-Q589 VanDerWaalsContact O-N 3.14Å; T586-Q589 PolarHBondContact O-N 2.7Å; Q589-A592 PolarHBondContact O-N 3.19Å; Q589-L593 WeakPolarHBondContact O-CB 3.19Å; Q589-L593 VanDerWaalsContact O-CG 3.25Å; Q589-L593 WeakPolarHBondContact O-CG 3.42Å; Q589-L593 PolarHBondContact O-N 2.85Å
590I95.7Very high93.3Very high2 Ų231.2 Ų31.21%0.0115%0.154CC..Hα-helixtrans-61.5-46.7174.7-66.3167.5000111.1I319 V321 E401 T586 F588 L593 W594I319-I590 HydrophobicContact CG2-CD1 4.31Å; V321-I590 HydrophobicContact CG1-CG2 3.97Å; V321-I590 HydrophobicContact CG2-CB 4.45Å; V321-I590 HydrophobicContact CG2-CD1 3.71Å; V321-I590 HydrophobicContact CG2-CG2 4.22Å; E401-I590 HydrophobicContact CG-CD1 3.87Å; T586-I590 HydrophobicContact CG2-CD1 3.98Å; T586-I590 HydrophobicContact CG2-CG1 4.39Å; T586-I590 VanDerWaalsContact O-CG1 3.23Å; T586-I590 WeakPolarHBondContact O-CG1 3.17Å; T586-I590 PolarHBondContact O-N 3.31Å; F588-I590 VanDerWaalsContact C-N 3.31Å; F588-I590 PolarHBondContact O-N 3.2Å; I590-L593 PolarHBondContact O-N 3.29Å; I590-W594 HydrophobicContact CB-CE3 4.18Å; I590-W594 HydrophobicContact CB-CZ3 4.18Å; I590-W594 HydrophobicContact CG1-CE3 4.46Å; I590-W594 HydrophobicContact CG1-CZ3 4Å; I590-W594 HydrophobicContact CG2-CE3 3.82Å; I590-W594 HydrophobicContact CG2-CZ3 4.2Å; I590-W594 PolarHBondContact O-N 2.99Å
591K95.1Very high93.4Very high37 Ų3733 Ų3316%0.16117%0.165CC..Hα-helixtrans-67.9-34.1177.7-72.8-167.5-177.1-174.50112.9V321 Y324 L329 E587 F588 G595V321-K591 HydrophobicContact CG1-CG 4.09Å; V321-K591 WeakPolarHBondContact O-CE 3.19Å; V321-K591 PolarHBondContact O-NZ 3.11Å; Y324-K591 HydrophobicContact CD1-CD 4.25Å; Y324-K591 PolarHBondContact O-NZ 2.91Å; L329-K591 HydrophobicContact CD1-CB 3.55Å; E587-K591 PolarHBondContact O-N 2.93Å; F588-K591 PolarHBondContact O-N 2.53Å; K591-G595 WeakPolarHBondContact O-CA 3.32Å; K591-G595 PolarHBondContact O-N 3.29Å
592A94.7Very high93.5Very high0 Ų035.8 Ų35.80%018%0.182CC..Hα-helixtrans-70.5-32.4177.700000113.4L329 W341 L344 F588 Q589L329-A592 HydrophobicContact CD2-CB 4.3Å; W341-A592 HydrophobicContact CZ2-CB 4.34Å; W341-A592 PolarHBondContact NE1-O 3.47Å; L344-A592 HydrophobicContact CD1-CB 4.35Å; F588-A592 HydrophobicContact CE1-CB 4.26Å; F588-A592 WeakPolarHBondContact O-CB 3.48Å; F588-A592 PolarHBondContact O-N 3.07Å; Q589-A592 PolarHBondContact O-N 3.19Å
593L95.6Very high93.4Very high2 Ų236.9 Ų36.91%0.0119%0.192CC..Hα-helixtrans-80.9-55.8178.4-69.5169.6000112P335 M336 W341 H408 M412 Q589 I590 L610P335-L593 WeakPolarHBondContact CA-O 3.33Å; M336-L593 PolarHBondContact N-O 3.13Å; W341-L593 HydrophobicContact CH2-CD2 4.07Å; W341-L593 HydrophobicContact CZ2-CD2 3.81Å; W341-L593 HydrophobicContact CZ2-CG 4.44Å; H408-L593 HydrophobicContact CB-CD1 4.08Å; M412-L593 HydrophobicContact CB-CD2 3.85Å; M412-L593 HydrophobicContact CG-CD2 3.48Å; M412-L593 VanDerWaalsContact CG-CD2 3.48Å; Q589-L593 WeakPolarHBondContact O-CB 3.19Å; Q589-L593 VanDerWaalsContact O-CG 3.25Å; Q589-L593 WeakPolarHBondContact O-CG 3.42Å; Q589-L593 PolarHBondContact O-N 2.85Å; I590-L593 PolarHBondContact O-N 3.29Å; L593-L610 HydrophobicContact CB-CD2 4.43Å; L593-L610 HydrophobicContact CD1-CD2 4.34Å; L593-L610 HydrophobicContact CD2-CD2 4.2Å
594W95.1Very high93.1Very high19 Ų1943.5 Ų43.57%0.07222%0.221CC..Hα-helixtrans-104.1-0.3-172.2-60.6-83.7000115P335 I590 A598 R606 Y607 L610P335-W594 WeakPolarHBondContact CG-O 3.46Å; I590-W594 HydrophobicContact CB-CE3 4.18Å; I590-W594 HydrophobicContact CB-CZ3 4.18Å; I590-W594 HydrophobicContact CG1-CE3 4.46Å; I590-W594 HydrophobicContact CG1-CZ3 4Å; I590-W594 HydrophobicContact CG2-CE3 3.82Å; I590-W594 HydrophobicContact CG2-CZ3 4.2Å; I590-W594 PolarHBondContact O-N 2.99Å; W594-A598 HydrophobicContact CB-CB 4.17Å; W594-A598 WeakPolarHBondContact O-CB 3.31Å; W594-R606 HydrophobicContact CD2-CB 4.16Å; W594-R606 HydrophobicContact CD2-CG 4.2Å; W594-R606 HydrophobicContact CG-CB 4.4Å; W594-R606 HydrophobicContact CG-CG 4.09Å; W594-R606 HydrophobicContact CZ2-CB 4.05Å; W594-R606 PolarHBondContact NE1-O 3.17Å; W594-Y607 AromaticContact CH2-CD1 3.92Å; W594-Y607 HydrophobicContact CH2-CD1 3.92Å; W594-Y607 AromaticContact CH2-CE1 3.29Å; W594-Y607 HydrophobicContact CH2-CE1 3.29Å; W594-Y607 AromaticContact CH2-CZ 3.61Å; W594-Y607 AromaticContact CZ2-CD1 3.73Å; W594-Y607 HydrophobicContact CZ2-CD1 3.73Å; W594-Y607 AromaticContact CZ2-CE1 3.62Å; W594-Y607 HydrophobicContact CZ2-CE1 3.62Å; W594-Y607 HydrophobicContact CZ2-CG 4.44Å; W594-Y607 HydrophobicContact CZ3-CE1 4.47Å; W594-L610 HydrophobicContact CH2-CD2 4.11Å; W594-L610 HydrophobicContact CZ2-CB 4.3Å; W594-L610 HydrophobicContact CZ2-CD2 3.4Å; W594-L610 VanDerWaalsContact CZ2-CD2 3.4Å; W594-L610 HydrophobicContact CZ2-CG 4.49Å
595G93.4Very high92.9Very high1 Ų147.4 Ų47.41%0.0124%0.239CC..Hα-helixtrans69.5176.5-179.800000114.4V333 K591 K597 S599V333-G595 CarbonylContact O-C 3.08Å; V333-G595 WeakPolarHBondContact O-CA 3.4Å; K591-G595 WeakPolarHBondContact O-CA 3.32Å; K591-G595 PolarHBondContact O-N 3.29Å; G595-K597 VanDerWaalsContact C-N 3.27Å; G595-K597 PolarHBondContact O-N 2.72Å; G595-S599 WeakPolarHBondContact O-CB 3.1Å; G595-S599 PolarHBondContact O-N 3.03Å; G595-S599 PolarHBondContact O-OG 3Å
596A90.8Very high92.9Very high33 Ų3344.6 Ų44.627%0.27323%0.225SC..Hα-helixtrans-64.1-25.3-171.200000114.8D331 V333 S599D331-A596 VanDerWaalsContact O-CB 3.26Å; D331-A596 WeakPolarHBondContact O-CB 3.33Å; V333-A596 HydrophobicContact CG1-CB 4.12Å; V333-A596 PolarHBondContact O-N 3.14Å; A596-S599 PolarHBondContact O-OG 3.01Å
597K90.2Very high92.8Very high190 Ų19045.1 Ų45.183%0.82623%0.227SC*.Hα-helixtrans-94.5-54.8-178.9-65.7-174.2178.9-176.10113.1G595 S599 L600G595-K597 VanDerWaalsContact C-N 3.27Å; G595-K597 PolarHBondContact O-N 2.72Å; K597-S599 VanDerWaalsContact C-N 3.26Å; K597-S599 PolarHBondContact O-N 3.43Å; K597-L600 PolarHBondContact O-N 2.89Å
598A91.2Very high92.6Very high36 Ų3647.7 Ų47.730%0.29824%0.241SC..Hα-helixtrans-76.6-13.9-174.200000113W594 L600 V601 R606W594-A598 HydrophobicContact CB-CB 4.17Å; W594-A598 WeakPolarHBondContact O-CB 3.31Å; A598-L600 PolarHBondContact O-N 3.41Å; A598-L600 VanDerWaalsContact O-N 3.14Å; A598-V601 HydrophobicContact CB-CG2 4.43Å; A598-V601 VanDerWaalsContact O-CB 3.31Å; A598-V601 WeakPolarHBondContact O-CB 3.5Å; A598-V601 WeakPolarHBondContact O-CG2 3.42Å; A598-V601 PolarHBondContact O-N 2.69Å; A598-V601 VanDerWaalsContact O-N 3.08Å; A598-R606 VanDerWaalsContact O-CD 3.29Å; A598-R606 WeakPolarHBondContact O-CD 3.35Å
599S91.3Very high92.5Very high5 Ų553.6 Ų53.64%0.03527%0.267CS..THydrogen-bonded Turntrans-58.4-18.3168.450.90000114.9G595 A596 K597G595-S599 WeakPolarHBondContact O-CB 3.1Å; G595-S599 PolarHBondContact O-N 3.03Å; G595-S599 PolarHBondContact O-OG 3Å; A596-S599 PolarHBondContact O-OG 3.01Å; K597-S599 VanDerWaalsContact C-N 3.26Å; K597-S599 PolarHBondContact O-N 3.43Å
600L90.3Very high92.4Very high95 Ų9554 Ų5450%0.49727%0.269SS..THydrogen-bonded Turntrans-92.6-2.4177.3-54.8-174.1000113.8V321 K322 K597 A598V321-L600 HydrophobicContact CG1-CD2 4.38Å; K322-L600 HydrophobicContact CG-CD1 4.31Å; K322-L600 HydrophobicContact CG-CD2 3.49Å; K322-L600 VanDerWaalsContact CG-CD2 3.49Å; K597-L600 PolarHBondContact O-N 2.89Å; A598-L600 PolarHBondContact O-N 3.41Å; A598-L600 VanDerWaalsContact O-N 3.14Å
601V91.4Very high92.3Very high51 Ų5156.1 Ų56.131%0.30928%0.281SS..SBendtrans-75.8154.4177.11760000110.2A598 S603 E605 R606A598-V601 HydrophobicContact CB-CG2 4.43Å; A598-V601 VanDerWaalsContact O-CB 3.31Å; A598-V601 WeakPolarHBondContact O-CB 3.5Å; A598-V601 WeakPolarHBondContact O-CG2 3.42Å; A598-V601 PolarHBondContact O-N 2.69Å; A598-V601 VanDerWaalsContact O-N 3.08Å; V601-S603 PolarHBondContact O-N 3.13Å; V601-E605 HydrophobicContact CG1-CB 4Å; V601-E605 HydrophobicContact CG1-CG 4.07Å; V601-E605 WeakPolarHBondContact CG1-OE2 3.39Å; V601-R606 HydrophobicContact CB-CG 3.97Å; V601-R606 HydrophobicContact CG1-CG 4.31Å; V601-R606 PolarHBondContact O-NE 2.93Å
602Q89.8Confident92.2Very high145 Ų14559.8 Ų59.868%0.67830%0.302SS*.  trans-52.1137.3178.9-166.9-176.637.700111.3K604 E605 R606Q602-K604 VanDerWaalsContact C-N 3.34Å; Q602-K604 PolarHBondContact O-N 3.33Å; Q602-E605 PolarHBondContact O-N 2.75Å; Q602-R606 PolarHBondContact O-N 3.03Å
603S90Very high92.2Very high45 Ų4563 Ų6332%0.31532%0.319SS..Hα-helixtrans-45.9-52.6-178-172.40000113.1E401 V601 E605 R606 Y607E401-S603 VanDerWaalsContact OE2-CB 3.25Å; E401-S603 WeakPolarHBondContact OE2-CB 3.24Å; E401-S603 PolarHBondContact OE2-OG 3.37Å; V601-S603 PolarHBondContact O-N 3.13Å; S603-E605 PolarHBondContact O-N 2.96Å; S603-R606 WeakPolarHBondContact O-CB 3.27Å; S603-R606 PolarHBondContact O-N 3.39Å; S603-Y607 WeakPolarHBondContact O-CD2 3.43Å; S603-Y607 PolarHBondContact O-N 2.87Å; S603-Y607 VanDerWaalsContact OG-CE2 3.31Å; S603-Y607 WeakPolarHBondContact OG-CE2 3.43Å
604K88.9Confident92.2Very high140 Ų14063 Ų6361%0.60932%0.318SS*.Hα-helixtrans-56.1-55.1179.7-175.7172.6-179.61770113.1Q602 R606 Y607 D608Q602-K604 VanDerWaalsContact C-N 3.34Å; Q602-K604 PolarHBondContact O-N 3.33Å; K604-R606 VanDerWaalsContact C-N 3.25Å; K604-R606 PolarHBondContact O-N 3.15Å; K604-Y607 PolarHBondContact O-N 2.97Å; K604-D608 WeakPolarHBondContact CG-OD2 3.43Å; K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 3.12Å
605E91.8Very high92.2Very high82 Ų8264.6 Ų64.638%0.38333%0.333SS..Hα-helixtrans-61.2-33.2-179.9-173.8-171.2169.800112.6V601 Q602 S603 K609V601-E605 HydrophobicContact CG1-CB 4Å; V601-E605 HydrophobicContact CG1-CG 4.07Å; V601-E605 WeakPolarHBondContact CG1-OE2 3.39Å; Q602-E605 PolarHBondContact O-N 2.75Å; S603-E605 PolarHBondContact O-N 2.96Å; E605-K609 HydrophobicContact CG-CD 4.34Å; E605-K609 WeakPolarHBondContact O-CG 3.32Å; E605-K609 PolarHBondContact O-N 2.88Å; E605-K609 WeakPolarHBondContact OE1-CE 3.33Å; E605-K609 IonicContact OE1-NZ 2.91Å; E605-K609 PolarHBondContact OE1-NZ 2.85Å
606R94Very high92.2Very high17 Ų1770.2 Ų70.26%0.06436%0.362CS..Hα-helixtrans-63.1-45.6172.6-82.9-166.3-69.8113.9-3.8112E401 W594 A598 V601 Q602 S603 K604 L610E401-R606 IonicContact OE1-CZ 3.72Å; E401-R606 IonicContact OE1-NH1 3.27Å; E401-R606 PolarHBondContact OE1-NH1 3.31Å; E401-R606 IonicContact OE1-NH2 3.24Å; E401-R606 PolarHBondContact OE1-NH2 3.21Å; E401-R606 IonicContact OE2-CZ 3.06Å; E401-R606 IonicContact OE2-NH2 3.45Å; E401-R606 PolarHBondContact OE2-NH2 3.28Å; W594-R606 HydrophobicContact CD2-CB 4.16Å; W594-R606 HydrophobicContact CD2-CG 4.2Å; W594-R606 HydrophobicContact CG-CB 4.4Å; W594-R606 HydrophobicContact CG-CG 4.09Å; W594-R606 HydrophobicContact CZ2-CB 4.05Å; W594-R606 PolarHBondContact NE1-O 3.17Å; A598-R606 VanDerWaalsContact O-CD 3.29Å; A598-R606 WeakPolarHBondContact O-CD 3.35Å; V601-R606 HydrophobicContact CB-CG 3.97Å; V601-R606 HydrophobicContact CG1-CG 4.31Å; V601-R606 PolarHBondContact O-NE 2.93Å; Q602-R606 PolarHBondContact O-N 3.03Å; S603-R606 WeakPolarHBondContact O-CB 3.27Å; S603-R606 PolarHBondContact O-N 3.39Å; K604-R606 VanDerWaalsContact C-N 3.25Å; K604-R606 PolarHBondContact O-N 3.15Å; R606-L610 WeakPolarHBondContact O-CB 3.48Å; R606-L610 PolarHBondContact O-N 2.91Å
607Y93.1Very high92.4Very high17 Ų1770.4 Ų70.47%0.06736%0.358CS..Hα-helixtrans-73.9-45.9-177.7-72.9-62.5000112.3E401 T404 C405 H408 W594 S603 K604 K609 L610 D611E401-Y607 PolarHBondContact O-OH 3.5Å; E401-Y607 WeakPolarHBondContact OE1-CE2 3.45Å; E401-Y607 PolarHBondContact OE1-OH 2.75Å; T404-Y607 HydrophobicContact CG2-CD1 3.58Å; T404-Y607 HydrophobicContact CG2-CD2 3.98Å; T404-Y607 HydrophobicContact CG2-CE1 3.43Å; T404-Y607 VanDerWaalsContact CG2-CE1 3.43Å; T404-Y607 HydrophobicContact CG2-CE2 3.92Å; T404-Y607 HydrophobicContact CG2-CG 3.87Å; C405-Y607 WeakPolarHBondContact CA-OH 3.37Å; C405-Y607 WeakPolarHBondContact CB-OH 3.42Å; C405-Y607 PolarHBondContact N-OH 3.17Å; H408-Y607 AromaticContact CE1-CD1 3.3Å; H408-Y607 WeakPolarHBondContact CE1-CD1 3.39Å; H408-Y607 AromaticContact CE1-CE1 3.8Å; H408-Y607 AromaticContact ND1-CD1 3.4Å; H408-Y607 WeakPolarHBondContact ND1-CD1 3.23Å; H408-Y607 AromaticContact ND1-CE1 3.42Å; H408-Y607 WeakPolarHBondContact ND1-CE1 3.04Å; H408-Y607 AromaticContact NE2-CD1 3.88Å; W594-Y607 AromaticContact CH2-CD1 3.92Å; W594-Y607 HydrophobicContact CH2-CD1 3.92Å; W594-Y607 AromaticContact CH2-CE1 3.29Å; W594-Y607 HydrophobicContact CH2-CE1 3.29Å; W594-Y607 AromaticContact CH2-CZ 3.61Å; W594-Y607 AromaticContact CZ2-CD1 3.73Å; W594-Y607 HydrophobicContact CZ2-CD1 3.73Å; W594-Y607 AromaticContact CZ2-CE1 3.62Å; W594-Y607 HydrophobicContact CZ2-CE1 3.62Å; W594-Y607 HydrophobicContact CZ2-CG 4.44Å; W594-Y607 HydrophobicContact CZ3-CE1 4.47Å; S603-Y607 WeakPolarHBondContact O-CD2 3.43Å; S603-Y607 PolarHBondContact O-N 2.87Å; S603-Y607 VanDerWaalsContact OG-CE2 3.31Å; S603-Y607 WeakPolarHBondContact OG-CE2 3.43Å; K604-Y607 PolarHBondContact O-N 2.97Å; Y607-K609 VanDerWaalsContact C-N 3.32Å; Y607-K609 PolarHBondContact O-N 2.84Å; Y607-L610 PolarHBondContact O-N 3.39Å; Y607-D611 PolarHBondContact O-N 3.1Å
608D90.9Very high92.7Very high85 Ų8561.4 Ų61.446%0.45532%0.319SS..Hα-helixtrans-52.1-50.5178.2-64.4-15.6000110.8K604 L610 D611 D612K604-D608 WeakPolarHBondContact CG-OD2 3.43Å; K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 3.12Å; D608-L610 VanDerWaalsContact C-N 3.29Å; D608-L610 PolarHBondContact O-N 2.76Å; D608-D611 PolarHBondContact O-N 3.27Å; D608-D612 PolarHBondContact O-N 2.82Å
609K93.3Very high92.8Very high124 Ų12466.2 Ų66.254%0.53934%0.336SS..Hα-helixtrans-66.6-26.2177.9-68.6178.5-173.4174.10114.2E605 Y607 L613E605-K609 HydrophobicContact CG-CD 4.34Å; E605-K609 WeakPolarHBondContact O-CG 3.32Å; E605-K609 PolarHBondContact O-N 2.88Å; E605-K609 WeakPolarHBondContact OE1-CE 3.33Å; E605-K609 IonicContact OE1-NZ 2.91Å; E605-K609 PolarHBondContact OE1-NZ 2.85Å; Y607-K609 VanDerWaalsContact C-N 3.32Å; Y607-K609 PolarHBondContact O-N 2.84Å; K609-L613 WeakPolarHBondContact O-CB 3.37Å; K609-L613 PolarHBondContact O-N 3.42Å
610L93.9Very high93Very high8 Ų873 Ų734%0.04236%0.36CS..Hα-helixtrans-83.3-38.5-179.8-17559.6000111.5H408 M412 L593 W594 R606 Y607 D608 D612 L613 L614H408-L610 HydrophobicContact CB-CD2 3.71Å; M412-L610 HydrophobicContact CG-CD1 4.44Å; M412-L610 HydrophobicContact SD-CD1 4.27Å; L593-L610 HydrophobicContact CB-CD2 4.43Å; L593-L610 HydrophobicContact CD1-CD2 4.34Å; L593-L610 HydrophobicContact CD2-CD2 4.2Å; W594-L610 HydrophobicContact CH2-CD2 4.11Å; W594-L610 HydrophobicContact CZ2-CB 4.3Å; W594-L610 HydrophobicContact CZ2-CD2 3.4Å; W594-L610 VanDerWaalsContact CZ2-CD2 3.4Å; W594-L610 HydrophobicContact CZ2-CG 4.49Å; R606-L610 WeakPolarHBondContact O-CB 3.48Å; R606-L610 PolarHBondContact O-N 2.91Å; Y607-L610 PolarHBondContact O-N 3.39Å; D608-L610 VanDerWaalsContact C-N 3.29Å; D608-L610 PolarHBondContact O-N 2.76Å; L610-D612 VanDerWaalsContact C-N 3.32Å; L610-D612 PolarHBondContact O-N 3.09Å; L610-L613 HydrophobicContact CD1-CD2 4.4Å; L610-L613 PolarHBondContact O-N 3.37Å; L610-L614 HydrophobicContact CD1-CD1 4.49Å; L610-L614 HydrophobicContact CD1-CG 4.32Å; L610-L614 HydrophobicContact CG-CD1 4.01Å; L610-L614 HydrophobicContact CG-CG 4.34Å; L610-L614 VanDerWaalsContact O-CB 3.26Å; L610-L614 WeakPolarHBondContact O-CB 3.46Å; L610-L614 WeakPolarHBondContact O-CD1 3.45Å; L610-L614 WeakPolarHBondContact O-CG 3.28Å; L610-L614 PolarHBondContact O-N 2.88Å
611D93Very high93.1Very high47 Ų4770.3 Ų70.325%0.25134%0.344SS..Hα-helixtrans-62.9-37.8173.1-95.4-42.9000110.9K407 H408 Q458 Y607 D608 S615K407-D611 IonicContact NZ-OD1 2.75Å; K407-D611 PolarHBondContact NZ-OD1 3.28Å; K407-D611 IonicContact NZ-OD2 3.73Å; K407-D611 PolarHBondContact NZ-OD2 2.9Å; K407-D611 VanDerWaalsContact NZ-OD2 3.17Å; H408-D611 IonicContact NE2-OD1 3.75Å; H408-D611 PolarHBondContact NE2-OD1 2.99Å; H408-D611 IonicContact NE2-OD2 2.75Å; H408-D611 PolarHBondContact NE2-OD2 2.74Å; Q458-D611 PolarHBondContact NE2-O 2.94Å; Q458-D611 PolarHBondContact NE2-OD1 2.87Å; Y607-D611 PolarHBondContact O-N 3.1Å; D608-D611 PolarHBondContact O-N 3.27Å; D611-S615 WeakPolarHBondContact O-CB 3.39Å; D611-S615 PolarHBondContact O-N 3.09Å; D611-S615 PolarHBondContact O-OG 3.49Å
612D93.8Very high93.1Very high113 Ų11369.2 Ų69.260%0.60434%0.335SS*.Hα-helixtrans-59.3-52.4170.1-81.5-18.8000112D608 L610 L614 S615 L616D608-D612 PolarHBondContact O-N 2.82Å; L610-D612 VanDerWaalsContact C-N 3.32Å; L610-D612 PolarHBondContact O-N 3.09Å; D612-L614 PolarHBondContact O-N 2.82Å; D612-S615 WeakPolarHBondContact O-CB 3.49Å; D612-S615 PolarHBondContact O-N 3.45Å; D612-L616 PolarHBondContact O-N 3.3Å; D612-L616 VanDerWaalsContact O-N 3.11Å
613L94.2Very high93.1Very high69 Ų6964.5 Ų64.536%0.36132%0.318SS..Hα-helixtrans-62.8-42.5-178.8-176.5152.4000111.6M336 M412 K609 L610 S615 L616 L617M336-L613 HydrophobicContact CE-CD2 4.12Å; M336-L613 HydrophobicContact SD-CD1 4.15Å; M336-L613 HydrophobicContact SD-CD2 3.38Å; M336-L613 WeakPolarHBondContact SD-CD2 3.44Å; M336-L613 HydrophobicContact SD-CG 4.45Å; M412-L613 HydrophobicContact SD-CD2 4.43Å; K609-L613 WeakPolarHBondContact O-CB 3.37Å; K609-L613 PolarHBondContact O-N 3.42Å; L610-L613 HydrophobicContact CD1-CD2 4.4Å; L610-L613 PolarHBondContact O-N 3.37Å; L613-S615 VanDerWaalsContact C-N 3.28Å; L613-S615 PolarHBondContact O-N 3.48Å; L613-L616 PolarHBondContact O-N 3.04Å; L613-L617 HydrophobicContact CD2-CD1 3.54Å; L613-L617 HydrophobicContact CD2-CG 3.95Å; L613-L617 WeakPolarHBondContact O-CG 3.47Å; L613-L617 PolarHBondContact O-N 3.41Å
614L95.1Very high93Very high0 Ų064.6 Ų64.60%031%0.314CS..Hα-helixtrans-60.6-38.1175.3-79.3167.9000111.8Q411 M412 L415 Q458 L610 D612 L617 A618Q411-L614 HydrophobicContact CB-CD1 4.02Å; Q411-L614 HydrophobicContact CB-CD2 3.82Å; M412-L614 HydrophobicContact CG-CD2 3.94Å; M412-L614 HydrophobicContact SD-CD2 3.36Å; M412-L614 WeakPolarHBondContact SD-CD2 3.29Å; M412-L614 HydrophobicContact SD-CG 4.1Å; L415-L614 HydrophobicContact CD1-CD2 3.63Å; Q458-L614 HydrophobicContact CB-CB 4.5Å; Q458-L614 HydrophobicContact CG-CB 4.07Å; L610-L614 HydrophobicContact CD1-CD1 4.49Å; L610-L614 HydrophobicContact CD1-CG 4.32Å; L610-L614 HydrophobicContact CG-CD1 4.01Å; L610-L614 HydrophobicContact CG-CG 4.34Å; L610-L614 VanDerWaalsContact O-CB 3.26Å; L610-L614 WeakPolarHBondContact O-CB 3.46Å; L610-L614 WeakPolarHBondContact O-CD1 3.45Å; L610-L614 WeakPolarHBondContact O-CG 3.28Å; L610-L614 PolarHBondContact O-N 2.88Å; D612-L614 PolarHBondContact O-N 2.82Å; L614-L617 PolarHBondContact O-N 3.03Å; L614-A618 WeakPolarHBondContact O-CB 3.41Å; L614-A618 PolarHBondContact O-N 3.39Å
615S95.4Very high92.8Very high54 Ų5458.3 Ų58.338%0.37829%0.287SS..Hα-helixtrans-65.7-43.9178.2-57.10000111.2Q458 D611 D612 L613 A618 Q619Q458-S615 WeakPolarHBondContact CG-OG 3.2Å; Q458-S615 PolarHBondContact NE2-OG 2.88Å; D611-S615 WeakPolarHBondContact O-CB 3.39Å; D611-S615 PolarHBondContact O-N 3.09Å; D611-S615 PolarHBondContact O-OG 3.49Å; D612-S615 WeakPolarHBondContact O-CB 3.49Å; D612-S615 PolarHBondContact O-N 3.45Å; L613-S615 VanDerWaalsContact C-N 3.28Å; L613-S615 PolarHBondContact O-N 3.48Å; S615-A618 PolarHBondContact O-N 3.1Å; S615-Q619 PolarHBondContact O-N 2.88Å
616L95.2Very high92.1Very high119 Ų11957.2 Ų57.262%0.62329%0.286SS*.Hα-helixtrans-64-40.5174-67.1173.3000112.4D612 L613 R620D612-L616 PolarHBondContact O-N 3.3Å; D612-L616 VanDerWaalsContact O-N 3.11Å; L613-L616 PolarHBondContact O-N 3.04Å; L616-R620 VanDerWaalsContact O-CB 3.31Å; L616-R620 WeakPolarHBondContact O-CB 3.38Å; L616-R620 PolarHBondContact O-N 2.95Å; L616-R620 VanDerWaalsContact O-N 3.08Å
617L94.2Very high91.2Very high36 Ų3661 Ų6119%0.18831%0.308CS..Hα-helixtrans-63.8-45.4174.7-73.6-179.1000111.9M336 M412 L415 L613 L614 R620 R621M336-L617 HydrophobicContact CE-CD1 3.95Å; M412-L617 HydrophobicContact CE-CD1 3.93Å; M412-L617 HydrophobicContact SD-CD1 4.06Å; L415-L617 HydrophobicContact CB-CB 4.41Å; L415-L617 HydrophobicContact CB-CD1 4.47Å; L415-L617 HydrophobicContact CD1-CB 4.46Å; L613-L617 HydrophobicContact CD2-CD1 3.54Å; L613-L617 HydrophobicContact CD2-CG 3.95Å; L613-L617 WeakPolarHBondContact O-CG 3.47Å; L613-L617 PolarHBondContact O-N 3.41Å; L614-L617 PolarHBondContact O-N 3.03Å; L617-R620 PolarHBondContact O-N 3.18Å; L617-R621 WeakPolarHBondContact O-CG 3.25Å; L617-R621 PolarHBondContact O-N 3.01Å
618A95.2Very high90.2Very high1 Ų165.5 Ų65.51%0.00833%0.329CS..Hα-helixtrans-60-49.7179.100000111.9L415 Q458 L462 L614 S615 R620 R621 E622L415-A618 HydrophobicContact CD1-CB 4.26Å; L415-A618 HydrophobicContact CD2-CB 4.08Å; Q458-A618 HydrophobicContact CB-CB 4.02Å; Q458-A618 WeakPolarHBondContact O-CB 3.49Å; L462-A618 HydrophobicContact CD2-CB 4.22Å; L462-A618 WeakPolarHBondContact CD2-O 3.33Å; L614-A618 WeakPolarHBondContact O-CB 3.41Å; L614-A618 PolarHBondContact O-N 3.39Å; S615-A618 PolarHBondContact O-N 3.1Å; A618-R620 VanDerWaalsContact C-N 3.3Å; A618-R620 PolarHBondContact O-N 3.02Å; A618-R621 PolarHBondContact O-N 3.46Å; A618-E622 PolarHBondContact O-N 2.99Å; A618-E622 VanDerWaalsContact O-N 3.13Å
619Q94.9Very high89.1Confident137 Ų13766.9 Ų66.964%0.6433%0.331SS*.Hα-helixtrans-55.2-47.3175.5-175.4-179.17.500111.1S615 E622 S623S615-Q619 PolarHBondContact O-N 2.88Å; Q619-E622 PolarHBondContact O-N 3.28Å; Q619-S623 PolarHBondContact O-N 2.74Å; Q619-S623 PolarHBondContact O-OG 3.14Å
620R93.8Very high87.9Confident148 Ų14867.4 Ų67.456%0.55834%0.335SS*.Hα-helixtrans-63.7-40.6178.9178.5178.1170.2159.95.9113.1L616 L617 A618 E622 S623 E624L616-R620 VanDerWaalsContact O-CB 3.31Å; L616-R620 WeakPolarHBondContact O-CB 3.38Å; L616-R620 PolarHBondContact O-N 2.95Å; L616-R620 VanDerWaalsContact O-N 3.08Å; L617-R620 PolarHBondContact O-N 3.18Å; A618-R620 VanDerWaalsContact C-N 3.3Å; A618-R620 PolarHBondContact O-N 3.02Å; R620-E622 VanDerWaalsContact C-N 3.29Å; R620-E622 PolarHBondContact O-N 3.25Å; R620-S623 PolarHBondContact O-N 3.17Å; R620-S623 PolarHBondContact O-OG 3.26Å; R620-E624 HydrophobicContact CG-CG 4.29Å; R620-E624 IonicContact CZ-OE1 3.83Å; R620-E624 IonicContact NE-OE1 3.6Å; R620-E624 PolarHBondContact NE-OE1 3.21Å; R620-E624 IonicContact NH2-OE1 2.77Å; R620-E624 PolarHBondContact NH2-OE1 3Å; R620-E624 VanDerWaalsContact NH2-OE1 3.17Å; R620-E624 WeakPolarHBondContact O-CB 3.27Å; R620-E624 VanDerWaalsContact O-CG 3.23Å; R620-E624 WeakPolarHBondContact O-CG 3.27Å; R620-E624 PolarHBondContact O-N 2.77Å
621R93.1Very high86.7Confident38 Ų3870.6 Ų70.614%0.14336%0.359CS..Hα-helixtrans-69.3-27.3-180-71.8-45.5-166.8-172.65.1113.2L415 A417 L617 A618 E624L415-R621 HydrophobicContact CD2-CB 4.43Å; L415-R621 HydrophobicContact CD2-CG 4.18Å; L415-R621 PolarHBondContact O-NE 2.69Å; A417-R621 PolarHBondContact O-NH2 2.71Å; L617-R621 WeakPolarHBondContact O-CG 3.25Å; L617-R621 PolarHBondContact O-N 3.01Å; A618-R621 PolarHBondContact O-N 3.46Å; R621-E624 WeakPolarHBondContact CD-OE2 3.24Å; R621-E624 IonicContact CZ-OE2 3.8Å; R621-E624 IonicContact NE-OE2 2.76Å; R621-E624 IonicContact NH1-OE1 2.9Å; R621-E624 IonicContact NH1-OE2 3.32Å; R621-E624 PolarHBondContact NH1-OE2 3.27Å
622E91.6Very high85.4Confident28 Ų2875.3 Ų75.313%0.13138%0.383CS..Hα-helixtrans-81-41.1174.2-16466.3-167.200111.1L462 N463 S464 H465 A618 Q619 R620 L625 T626L462-E622 WeakPolarHBondContact CA-OE2 3.36Å; L462-E622 HydrophobicContact CD2-CB 4.29Å; N463-E622 PolarHBondContact N-OE1 3.37Å; S464-E622 WeakPolarHBondContact CB-OE1 3.39Å; S464-E622 PolarHBondContact N-OE1 3.1Å; S464-E622 PolarHBondContact OG-OE1 3.38Å; H465-E622 IonicContact CE1-OE2 3.75Å; H465-E622 PolarHBondContact CE1-OE2 3.24Å; H465-E622 IonicContact ND1-OE2 3.51Å; H465-E622 PolarHBondContact ND1-OE2 3.45Å; A618-E622 PolarHBondContact O-N 2.99Å; A618-E622 VanDerWaalsContact O-N 3.13Å; Q619-E622 PolarHBondContact O-N 3.28Å; R620-E622 VanDerWaalsContact C-N 3.29Å; R620-E622 PolarHBondContact O-N 3.25Å; E622-L625 WeakPolarHBondContact O-CB 3.34Å; E622-L625 PolarHBondContact O-N 2.87Å; E622-L625 VanDerWaalsContact O-N 3.16Å; E622-T626 PolarHBondContact O-N 3.19Å
623S89.5Confident84Confident46 Ų4674.1 Ų74.132%0.32239%0.389SS..Hα-helixtrans-67.7-35.8177.170.20000113.4Q619 R620 L625 T626 D627Q619-S623 PolarHBondContact O-N 2.74Å; Q619-S623 PolarHBondContact O-OG 3.14Å; R620-S623 PolarHBondContact O-N 3.17Å; R620-S623 PolarHBondContact O-OG 3.26Å; S623-L625 PolarHBondContact O-N 3.48Å; S623-T626 WeakPolarHBondContact CA-OG1 3.31Å; S623-T626 PolarHBondContact O-N 3.35Å; S623-T626 PolarHBondContact O-OG1 3.02Å; S623-D627 VanDerWaalsContact O-CG 3.28Å; S623-D627 PolarHBondContact O-N 2.83Å; S623-D627 VanDerWaalsContact O-N 3.13Å
624E87.7Confident82.2Confident48 Ų4878.9 Ų78.922%0.22442%0.421CS..Hα-helixtrans-56.5-18.4173.1-81.1172.1176.700113R620 R621 Q628R620-E624 HydrophobicContact CG-CG 4.29Å; R620-E624 IonicContact CZ-OE1 3.83Å; R620-E624 IonicContact NE-OE1 3.6Å; R620-E624 PolarHBondContact NE-OE1 3.21Å; R620-E624 IonicContact NH2-OE1 2.77Å; R620-E624 PolarHBondContact NH2-OE1 3Å; R620-E624 VanDerWaalsContact NH2-OE1 3.17Å; R620-E624 WeakPolarHBondContact O-CB 3.27Å; R620-E624 VanDerWaalsContact O-CG 3.23Å; R620-E624 WeakPolarHBondContact O-CG 3.27Å; R620-E624 PolarHBondContact O-N 2.77Å; R621-E624 WeakPolarHBondContact CD-OE2 3.24Å; R621-E624 IonicContact CZ-OE2 3.8Å; R621-E624 IonicContact NE-OE2 2.76Å; R621-E624 IonicContact NH1-OE1 2.9Å; R621-E624 IonicContact NH1-OE2 3.32Å; R621-E624 PolarHBondContact NH1-OE2 3.27Å; E624-Q628 VanDerWaalsContact O-CD 3.23Å; E624-Q628 VanDerWaalsContact O-CG 3.27Å; E624-Q628 WeakPolarHBondContact O-CG 3.41Å; E624-Q628 PolarHBondContact O-NE2 2.9Å
625L84.3Confident81.5Confident8 Ų882.9 Ų82.94%0.04244%0.442CS..Hα-helixtrans-96.2-41.1175.7-61.6172.5000112.7L420 H465 E622 S623 D627 Q628 F629L420-L625 HydrophobicContact CB-CD2 4.19Å; L420-L625 HydrophobicContact CD1-CD1 3.95Å; L420-L625 HydrophobicContact CD2-CD1 4.08Å; L420-L625 HydrophobicContact CD2-CD2 3.93Å; L420-L625 HydrophobicContact CG-CD1 4.46Å; H465-L625 VanDerWaalsContact CE1-CD1 3.42Å; H465-L625 WeakPolarHBondContact CE1-CD1 3.38Å; E622-L625 WeakPolarHBondContact O-CB 3.34Å; E622-L625 PolarHBondContact O-N 2.87Å; E622-L625 VanDerWaalsContact O-N 3.16Å; S623-L625 PolarHBondContact O-N 3.48Å; L625-D627 VanDerWaalsContact C-N 3.27Å; L625-D627 PolarHBondContact O-N 2.72Å; L625-Q628 WeakPolarHBondContact O-CB 3.22Å; L625-Q628 PolarHBondContact O-N 3.47Å; L625-Q628 VanDerWaalsContact O-N 3.12Å; L625-F629 HydrophobicContact CB-CE2 4.3Å; L625-F629 WeakPolarHBondContact O-CD2 3.33Å; L625-F629 PolarHBondContact O-N 3.47Å
626T78.1Confident80.8Confident59 Ų5984.4 Ų84.436%0.36245%0.446SS..Hα-helixtrans-58.4-43.417752.40000111.1E622 S623 Q628 F629 E630E622-T626 PolarHBondContact O-N 3.19Å; S623-T626 WeakPolarHBondContact CA-OG1 3.31Å; S623-T626 PolarHBondContact O-N 3.35Å; S623-T626 PolarHBondContact O-OG1 3.02Å; T626-Q628 VanDerWaalsContact C-N 3.27Å; T626-Q628 PolarHBondContact O-N 3.38Å; T626-F629 PolarHBondContact O-N 2.7Å; T626-F629 VanDerWaalsContact O-N 3.15Å; T626-E630 PolarHBondContact O-N 2.99Å
627D76Confident80Confident97 Ų9782.4 Ų82.452%0.51944%0.436SS..Hα-helixtrans-65-32.1179.1-59.80.3000111.8S623 L625 S631S623-D627 VanDerWaalsContact O-CG 3.28Å; S623-D627 PolarHBondContact O-N 2.83Å; S623-D627 VanDerWaalsContact O-N 3.13Å; L625-D627 VanDerWaalsContact C-N 3.27Å; L625-D627 PolarHBondContact O-N 2.72Å; D627-S631 VanDerWaalsContact O-CB 3.31Å; D627-S631 WeakPolarHBondContact O-CB 3.47Å; D627-S631 PolarHBondContact O-N 3.33Å; D627-S631 PolarHBondContact O-OG 2.91Å
628Q72.1Confident79.1Confident111 Ų11185.2 Ų85.252%0.51945%0.45SS..Hα-helixtrans-72.4-37.8174.4-72.9176.127.300112.1E624 L625 T626 S631 L632E624-Q628 VanDerWaalsContact O-CD 3.23Å; E624-Q628 VanDerWaalsContact O-CG 3.27Å; E624-Q628 WeakPolarHBondContact O-CG 3.41Å; E624-Q628 PolarHBondContact O-NE2 2.9Å; L625-Q628 WeakPolarHBondContact O-CB 3.22Å; L625-Q628 PolarHBondContact O-N 3.47Å; L625-Q628 VanDerWaalsContact O-N 3.12Å; T626-Q628 VanDerWaalsContact C-N 3.27Å; T626-Q628 PolarHBondContact O-N 3.38Å; Q628-S631 PolarHBondContact O-OG 3Å; Q628-L632 WeakPolarHBondContact O-CB 2.8Å; Q628-L632 WeakPolarHBondContact O-CD1 3.49Å; Q628-L632 WeakPolarHBondContact O-CG 3.47Å; Q628-L632 PolarHBondContact O-N 3.14Å
629F66.4Low78.1Confident114 Ų11490.4 Ų90.450%0.548%0.478SS..Hα-helixtrans-71-38.2174.8-71.3-62.4000112.3L625 T626 L632 A633L625-F629 HydrophobicContact CB-CE2 4.3Å; L625-F629 WeakPolarHBondContact O-CD2 3.33Å; L625-F629 PolarHBondContact O-N 3.47Å; T626-F629 PolarHBondContact O-N 2.7Å; T626-F629 VanDerWaalsContact O-N 3.15Å; F629-L632 PolarHBondContact O-N 3.37Å; F629-A633 WeakPolarHBondContact O-CB 3.49Å; F629-A633 PolarHBondContact O-N 2.83Å
630E69.3Low77Confident134 Ų13487.3 Ų87.363%0.62647%0.467SS*.Hα-helixtrans-66.4-46.3175.3-72.4-173.6-176.100111.8T626 L632 A633 T634T626-E630 PolarHBondContact O-N 2.99Å; E630-L632 PolarHBondContact O-N 2.77Å; E630-A633 PolarHBondContact O-N 3.05Å; E630-T634 PolarHBondContact O-N 2.73Å
631S67.5Low75.8Confident76 Ų7683 Ų8353%0.53146%0.461SS..Hα-helixtrans-70.1-1417856.70000115.1D627 Q628 T634D627-S631 VanDerWaalsContact O-CB 3.31Å; D627-S631 WeakPolarHBondContact O-CB 3.47Å; D627-S631 PolarHBondContact O-N 3.33Å; D627-S631 PolarHBondContact O-OG 2.91Å; Q628-S631 PolarHBondContact O-OG 3Å; S631-T634 PolarHBondContact O-OG1 3.49Å
632L66.7Low74.5Confident145 Ų14586.5 Ų86.576%0.75949%0.485SS*.Hα-helixtrans-91.8-12.1168.6-73171.1000113.3Q628 F629 E630Q628-L632 WeakPolarHBondContact O-CB 2.8Å; Q628-L632 WeakPolarHBondContact O-CD1 3.49Å; Q628-L632 WeakPolarHBondContact O-CG 3.47Å; Q628-L632 PolarHBondContact O-N 3.14Å; F629-L632 PolarHBondContact O-N 3.37Å; E630-L632 PolarHBondContact O-N 2.77Å
633A64.5Low73.1Confident89 Ų8991.3 Ų91.374%0.73652%0.515SS*.Hα-helixtrans-95.6-15.3177.900000113.3F629 E630F629-A633 WeakPolarHBondContact O-CB 3.49Å; F629-A633 PolarHBondContact O-N 2.83Å; E630-A633 PolarHBondContact O-N 3.05Å
634T55Low71.6Confident169 Ų16995.5 Ų95.5100%1.03753%0.532SS*.  trans-93.40171.256.10000112.6E630 S631E630-T634 PolarHBondContact O-N 2.73Å; S631-T634 PolarHBondContact O-OG1 3.49Å

Retrieved 634 of 634 residues in 267.4 ms (Link to these results)

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