A0A096MPI2_PAPAN Loading...

Pre-mRNA-splicing factor ISY1 homolog

AlphaFold DB , UniProt , Accession A0A096MPI2, Species PAPAN (Papio anubis, Olive baboon), Gene ISY1, Length 285 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
1M58.8Low83.5Confident227 Ų227110.2 Ų110.2100%1.11860%0.603SS**  0126.90-72.1-174.2-13300108.4
2A72.8Confident84Confident52 Ų52109.7 Ų109.743%0.4360%0.598SS.*  trans-58.1148.5176.500000112E6 K7A2-E6 WeakPolarHBondContact CA-OE2 3.48Å; A2-E6 HydrophobicContact CB-CB 4.2Å; A2-E6 WeakPolarHBondContact CB-OE2 3.43Å; A2-K7 HydrophobicContact CB-CG 4.29Å; A2-K7 VanDerWaalsContact O-CE 3.32Å; A2-K7 WeakPolarHBondContact O-CE 3.45Å
3R86.3Confident84.4Confident201 Ų201103 Ų10376%0.75857%0.566SS**  trans-65.6155.4179.1-73.1-179.6176.6170.2-0.2110.2A5 E6 K7R3-A5 PolarHBondContact O-N 3.3Å; R3-E6 PolarHBondContact N-OE2 3.22Å; R3-E6 WeakPolarHBondContact O-CB 3.45Å; R3-E6 PolarHBondContact O-N 2.99Å; R3-K7 PolarHBondContact O-N 3.46Å; R3-K7 VanDerWaalsContact O-N 3.11Å
4N86Confident84.7Confident135 Ų135104.7 Ų104.772%0.72256%0.56SS**Hα-helixtrans-57-36.3-177.7-165.417.2000112.5E6 K7 A8N4-E6 VanDerWaalsContact C-N 3.32Å; N4-E6 PolarHBondContact O-N 3.41Å; N4-K7 PolarHBondContact O-N 3.34Å; N4-A8 WeakPolarHBondContact O-CB 3.31Å; N4-A8 PolarHBondContact O-N 3.04Å
5A86.4Confident85Confident74 Ų74106.2 Ų106.261%0.61256%0.56SS**Hα-helixtrans-60.3-39175.100000113R3 M9R3-A5 PolarHBondContact O-N 3.3Å; A5-M9 VanDerWaalsContact O-CG 3.29Å; A5-M9 WeakPolarHBondContact O-CG 3.4Å; A5-M9 PolarHBondContact O-N 3.03Å
6E88.2Confident85.2Confident112 Ų112109.6 Ų109.652%0.52356%0.563SS.*Hα-helixtrans-72.7-40.8178.5-64.9166.8168.800110.9A2 R3 N4 A8 M9 T10A2-E6 WeakPolarHBondContact CA-OE2 3.48Å; A2-E6 HydrophobicContact CB-CB 4.2Å; A2-E6 WeakPolarHBondContact CB-OE2 3.43Å; R3-E6 PolarHBondContact N-OE2 3.22Å; R3-E6 WeakPolarHBondContact O-CB 3.45Å; R3-E6 PolarHBondContact O-N 2.99Å; N4-E6 VanDerWaalsContact C-N 3.32Å; N4-E6 PolarHBondContact O-N 3.41Å; E6-A8 VanDerWaalsContact C-N 3.33Å; E6-A8 PolarHBondContact O-N 3.48Å; E6-M9 PolarHBondContact O-N 3.35Å; E6-M9 VanDerWaalsContact O-N 3.13Å; E6-T10 PolarHBondContact O-N 3.17Å
7K89.6Confident85.2Confident105 Ų105109.4 Ų109.446%0.45756%0.559SS.*Hα-helixtrans-61.4-40.4174.7-67.9-177.9178.9178.40112A2 R3 N4 M9 T10 A13A2-K7 HydrophobicContact CB-CG 4.29Å; A2-K7 VanDerWaalsContact O-CE 3.32Å; A2-K7 WeakPolarHBondContact O-CE 3.45Å; R3-K7 PolarHBondContact O-N 3.46Å; R3-K7 VanDerWaalsContact O-N 3.11Å; N4-K7 PolarHBondContact O-N 3.34Å; K7-M9 PolarHBondContact O-N 2.88Å; K7-T10 WeakPolarHBondContact O-CG2 3.35Å; K7-T10 PolarHBondContact O-N 3.07Å; K7-T10 PolarHBondContact O-OG1 3.41Å; K7-A13 WeakPolarHBondContact O-CB 3.44Å
8A84.4Confident85.3Confident42 Ų42106.3 Ų106.335%0.34755%0.552SS.*Hα-helixtrans-67.4-23.2176.200000113.4N4 E6 A13N4-A8 WeakPolarHBondContact O-CB 3.31Å; N4-A8 PolarHBondContact O-N 3.04Å; E6-A8 VanDerWaalsContact C-N 3.33Å; E6-A8 PolarHBondContact O-N 3.48Å; A8-A13 WeakPolarHBondContact O-CB 3.48Å
9M84.6Confident85.3Confident113 Ų113106.3 Ų106.356%0.55755%0.55SS*.THydrogen-bonded Turntrans-93.21.1179.6-73.2-63.2-106.100114.1A5 E6 K7 R14A5-M9 VanDerWaalsContact O-CG 3.29Å; A5-M9 WeakPolarHBondContact O-CG 3.4Å; A5-M9 PolarHBondContact O-N 3.03Å; E6-M9 PolarHBondContact O-N 3.35Å; E6-M9 VanDerWaalsContact O-N 3.13Å; K7-M9 PolarHBondContact O-N 2.88Å; M9-R14 PolarHBondContact O-NE 3.34Å; M9-R14 PolarHBondContact O-NH2 3.44Å; M9-R14 PolarHBondContact SD-NH2 3.11Å
10T92.4Very high85.2Confident67 Ų67107.7 Ų107.741%0.41156%0.557SS.*SBendtrans-63.3151.1175.458.70000111.6E6 K7 L12 A13 R14E6-T10 PolarHBondContact O-N 3.17Å; K7-T10 WeakPolarHBondContact O-CG2 3.35Å; K7-T10 PolarHBondContact O-N 3.07Å; K7-T10 PolarHBondContact O-OG1 3.41Å; T10-L12 PolarHBondContact O-N 3Å; T10-A13 PolarHBondContact O-N 3.4Å; T10-A13 VanDerWaalsContact O-N 3.08Å; T10-A13 VanDerWaalsContact OG1-CB 3.28Å; T10-A13 WeakPolarHBondContact OG1-CB 3.38Å; T10-A13 PolarHBondContact OG1-N 2.96Å; T10-R14 PolarHBondContact O-N 2.96Å
11A89.2Confident84.9Confident84 Ų84107 Ų10769%0.69455%0.552SS**Hα-helixtrans-54.7-39.5179.100000112.3F15A11-F15 VanDerWaalsContact O-CB 3.22Å; A11-F15 WeakPolarHBondContact O-CB 3.44Å; A11-F15 PolarHBondContact O-N 2.72Å
12L89.3Confident85.6Confident104 Ų104103.6 Ų103.655%0.54553%0.533SS..Hα-helixtrans-67-44.3176.9-164.9166.3000111.7T10 F15 R16T10-L12 PolarHBondContact O-N 3Å; L12-F15 PolarHBondContact O-N 3.12Å; L12-R16 HydrophobicContact CD2-CG 3.98Å; L12-R16 WeakPolarHBondContact O-CB 3.39Å; L12-R16 PolarHBondContact O-N 2.97Å
13A88.7Confident85.4Confident23 Ų23105 Ų10519%0.1955%0.552CS.*Hα-helixtrans-63-43.8177.500000111.9K7 A8 T10 R16 Q17K7-A13 WeakPolarHBondContact O-CB 3.44Å; A8-A13 WeakPolarHBondContact O-CB 3.48Å; T10-A13 PolarHBondContact O-N 3.4Å; T10-A13 VanDerWaalsContact O-N 3.08Å; T10-A13 VanDerWaalsContact OG1-CB 3.28Å; T10-A13 WeakPolarHBondContact OG1-CB 3.38Å; T10-A13 PolarHBondContact OG1-N 2.96Å; A13-R16 PolarHBondContact O-N 2.88Å; A13-Q17 WeakPolarHBondContact O-CB 3.44Å; A13-Q17 WeakPolarHBondContact O-CG 3.46Å; A13-Q17 PolarHBondContact O-N 3.2Å
14R88.8Confident84.4Confident127 Ų127103.1 Ų103.148%0.47955%0.549SS..Hα-helixtrans-64.5-41.1174.5-67.8-175.4-173.2147.62.2112.3M9 T10 Q17 A18M9-R14 PolarHBondContact O-NE 3.34Å; M9-R14 PolarHBondContact O-NH2 3.44Å; M9-R14 PolarHBondContact SD-NH2 3.11Å; T10-R14 PolarHBondContact O-N 2.96Å; R14-Q17 PolarHBondContact O-N 2.97Å; R14-A18 WeakPolarHBondContact O-CB 3.32Å; R14-A18 PolarHBondContact O-N 3.46Å
15F88.9Confident83.6Confident127 Ų127102.9 Ų102.956%0.55755%0.553SS**Hα-helixtrans-64.7-43.5176.8-179.1-99000112.1A11 L12 Q17 A18 Q19A11-F15 VanDerWaalsContact O-CB 3.22Å; A11-F15 WeakPolarHBondContact O-CB 3.44Å; A11-F15 PolarHBondContact O-N 2.72Å; L12-F15 PolarHBondContact O-N 3.12Å; F15-Q17 PolarHBondContact O-N 3.03Å; F15-A18 PolarHBondContact O-N 3.2Å; F15-Q19 HydrophobicContact CD1-CG 4.45Å; F15-Q19 VanDerWaalsContact CE1-CD 3.45Å; F15-Q19 HydrophobicContact CE1-CG 4.03Å; F15-Q19 HydrophobicContact CZ-CG 4.13Å; F15-Q19 PolarHBondContact O-N 3.26Å
16R88.9Confident82.9Confident160 Ų160107.2 Ų107.260%0.60456%0.558SS**Hα-helixtrans-63-40.7173.4-82.7-172.6178.1171.21.2112.3L12 A13 Q19 L20L12-R16 HydrophobicContact CD2-CG 3.98Å; L12-R16 WeakPolarHBondContact O-CB 3.39Å; L12-R16 PolarHBondContact O-N 2.97Å; A13-R16 PolarHBondContact O-N 2.88Å; R16-Q19 PolarHBondContact O-N 3.21Å; R16-L20 WeakPolarHBondContact O-CB 2.99Å; R16-L20 VanDerWaalsContact O-CG 3.3Å; R16-L20 WeakPolarHBondContact O-CG 3.48Å; R16-L20 PolarHBondContact O-N 3.04Å
17Q85.5Confident82.6Confident107 Ų107106 Ų10650%0.555%0.552SS.*Hα-helixtrans-62.7-44.5173.6-78.9-178.9-1600111.2A13 R14 F15 Q19 L20 E21A13-Q17 WeakPolarHBondContact O-CB 3.44Å; A13-Q17 WeakPolarHBondContact O-CG 3.46Å; A13-Q17 PolarHBondContact O-N 3.2Å; R14-Q17 PolarHBondContact O-N 2.97Å; F15-Q17 PolarHBondContact O-N 3.03Å; Q17-Q19 PolarHBondContact O-N 3.18Å; Q17-L20 PolarHBondContact O-N 3.46Å; Q17-L20 VanDerWaalsContact O-N 3.17Å; Q17-E21 WeakPolarHBondContact O-CB 3.46Å; Q17-E21 WeakPolarHBondContact O-CG 3.5Å; Q17-E21 PolarHBondContact O-N 3.41Å
18A85.8Confident82.3Confident53 Ų53111.9 Ų111.944%0.43857%0.571SS.*Hα-helixtrans-59.8-43.5176.500000111.9R14 F15 L20 E21 E22R14-A18 WeakPolarHBondContact O-CB 3.32Å; R14-A18 PolarHBondContact O-N 3.46Å; F15-A18 PolarHBondContact O-N 3.2Å; A18-L20 PolarHBondContact O-N 3.08Å; A18-E21 CarbonylContact O-C 3.53Å; A18-E21 PolarHBondContact O-N 2.89Å; A18-E22 WeakPolarHBondContact O-CB 3.38Å; A18-E22 PolarHBondContact O-N 2.94Å
19Q85.3Confident82.6Confident107 Ų107112 Ų11250%0.556%0.563SS.*Hα-helixtrans-64.9-35.5174.4-76.2-168.8-43.900113.5F15 R16 Q17 E21 E22F15-Q19 HydrophobicContact CD1-CG 4.45Å; F15-Q19 VanDerWaalsContact CE1-CD 3.45Å; F15-Q19 HydrophobicContact CE1-CG 4.03Å; F15-Q19 HydrophobicContact CZ-CG 4.13Å; F15-Q19 PolarHBondContact O-N 3.26Å; R16-Q19 PolarHBondContact O-N 3.21Å; Q17-Q19 PolarHBondContact O-N 3.18Å; Q19-E21 VanDerWaalsContact C-N 3.34Å; Q19-E22 WeakPolarHBondContact O-CB 3.29Å; Q19-E22 PolarHBondContact O-N 3.3Å
20L83.4Confident82.9Confident133 Ų133108.4 Ų108.470%0.69655%0.548SS*.Hα-helixtrans-73.5-28.5176.1-74.9169.9000112.7R16 Q17 A18R16-L20 WeakPolarHBondContact O-CB 2.99Å; R16-L20 VanDerWaalsContact O-CG 3.3Å; R16-L20 WeakPolarHBondContact O-CG 3.48Å; R16-L20 PolarHBondContact O-N 3.04Å; Q17-L20 PolarHBondContact O-N 3.46Å; Q17-L20 VanDerWaalsContact O-N 3.17Å; A18-L20 PolarHBondContact O-N 3.08Å
21E80.6Confident82.7Confident95 Ų95113.5 Ų113.544%0.44457%0.565SS.*Hα-helixtrans-84.3-19.4173.9-70.7-174.8163.700112.2Q17 A18 Q19 G23 K24 K26Q17-E21 WeakPolarHBondContact O-CB 3.46Å; Q17-E21 WeakPolarHBondContact O-CG 3.5Å; Q17-E21 PolarHBondContact O-N 3.41Å; A18-E21 CarbonylContact O-C 3.53Å; A18-E21 PolarHBondContact O-N 2.89Å; Q19-E21 VanDerWaalsContact C-N 3.34Å; E21-G23 PolarHBondContact O-N 2.97Å; E21-K24 CarbonylContact O-C 3.51Å; E21-K24 PolarHBondContact O-N 3.39Å; E21-K26 VanDerWaalsContact OE1-CE 3.28Å; E21-K26 WeakPolarHBondContact OE1-CE 3.35Å; E21-K26 IonicContact OE1-NZ 2.67Å; E21-K26 PolarHBondContact OE1-NZ 2.94Å
22E73.1Confident82.8Confident155 Ų155113.5 Ų113.572%0.72455%0.553SS**THydrogen-bonded Turntrans-61.1107.2173.9-142.6173.6-17100109.2A18 Q19A18-E22 WeakPolarHBondContact O-CB 3.38Å; A18-E22 PolarHBondContact O-N 2.94Å; Q19-E22 WeakPolarHBondContact O-CB 3.29Å; Q19-E22 PolarHBondContact O-N 3.3Å
23G67Low82.9Confident81 Ų81109.2 Ų109.284%0.83553%0.532SS*.THydrogen-bonded Turntrans97-10.2-174.100000115.6E21E21-G23 PolarHBondContact O-N 2.97Å
24K66.3Low83Confident161 Ų161111.7 Ų111.770%0.755%0.548SS*.  trans-115.283.2173.9-73.6-176.7-178.6174.70110.8E21 K26E21-K24 CarbonylContact O-C 3.51Å; E21-K24 PolarHBondContact O-N 3.39Å; K24-K26 PolarHBondContact O-N 2.88Å
25V70.1Confident83.1Confident131 Ų131111.7 Ų111.779%0.79455%0.553SS**  trans-63.6123.4167-176.80000108E27V25-E27 PolarHBondContact O-N 3.02Å
26K71.5Confident83.2Confident165 Ų165106 Ų10672%0.71753%0.53SS*.  trans-65.288168.9-71.1173.9-172.3154.50107.6E21 K24 R28E21-K26 VanDerWaalsContact OE1-CE 3.28Å; E21-K26 WeakPolarHBondContact OE1-CE 3.35Å; E21-K26 IonicContact OE1-NZ 2.67Å; E21-K26 PolarHBondContact OE1-NZ 2.94Å; K24-K26 PolarHBondContact O-N 2.88Å; K26-R28 PolarHBondContact O-N 2.66Å
27E80.8Confident83.3Confident87 Ų87103.1 Ų103.141%0.40753%0.53SS..PPolyproline II helixtrans-56.2129.8172.8-70.2179.1143.900107.9V25 K41 K44 W45V25-E27 PolarHBondContact O-N 3.02Å; E27-K41 IonicContact OE1-NZ 2.68Å; E27-K41 PolarHBondContact OE1-NZ 2.96Å; E27-K44 IonicContact OE2-NZ 2.77Å; E27-K44 PolarHBondContact OE2-NZ 3.28Å; E27-W45 HydrophobicContact CB-CH2 3.72Å; E27-W45 HydrophobicContact CB-CZ2 4.01Å; E27-W45 VanDerWaalsContact O-CH2 3.27Å; E27-W45 WeakPolarHBondContact O-CH2 3.46Å
28R84.8Confident83.7Confident228 Ų228102.8 Ų102.886%0.8653%0.528SS*.PPolyproline II helixtrans-91.3141.6172.4-169.8172.4-180177.8-0.8108.5K26 P30 W45K26-R28 PolarHBondContact O-N 2.66Å; R28-P30 WeakPolarHBondContact O-CD 3.23Å; R28-W45 VanDerWaalsContact C-CH2 3.49Å
29R89.3Confident84Confident44 Ų44102.8 Ų102.817%0.16652%0.521CS..PPolyproline II helixtrans-56.7126.6172.5-175.517171.6-132.78.6109.3W45 I49 E52 E83 W87R29-W45 HydrophobicContact CB-CD2 3.92Å; R29-W45 HydrophobicContact CB-CE3 3.52Å; R29-W45 HydrophobicContact CB-CZ3 3.87Å; R29-W45 HydrophobicContact CG-CB 4.09Å; R29-W45 HydrophobicContact CG-CD2 3.89Å; R29-W45 HydrophobicContact CG-CE3 3.91Å; R29-W45 HydrophobicContact CG-CG 3.96Å; R29-I49 VanDerWaalsContact CZ-CG1 3.44Å; R29-E52 IonicContact CZ-OE2 2.65Å; R29-E52 IonicContact NH1-OE1 3.9Å; R29-E52 PolarHBondContact NH1-OE1 2.86Å; R29-E52 IonicContact NH1-OE2 2.8Å; R29-E52 PolarHBondContact NH1-OE2 3.29Å; R29-E52 IonicContact NH2-OE2 2.88Å; R29-E52 PolarHBondContact NH2-OE2 2.59Å; R29-E83 IonicContact CZ-OE2 3.99Å; R29-E83 IonicContact NE-OE2 3.05Å; R29-E83 IonicContact NH2-OE2 3.7Å; R29-E83 PolarHBondContact NH2-OE2 3.35Å; R29-W87 HydrophobicContact CG-CZ2 3.82Å
30P90.6Very high84.4Confident37 Ų37101.9 Ų101.924%0.2452%0.524CS..PPolyproline II helixtrans-58.1150.6170.9-23.833.9000111.4R28 W87R28-P30 WeakPolarHBondContact O-CD 3.23Å; P30-W87 HydrophobicContact CG-CH2 4.32Å
31F88.6Confident84.8Confident175 Ų17599.8 Ų99.877%0.76851%0.509SS*.SBendtrans-71.8-42178.4-178.1-107000111.4
32L91.4Very high85.4Confident84 Ų8495.2 Ų95.244%0.4449%0.488SS..SBendtrans-98.7129177.3-64.7175000110.3S34 E35L32-S34 PolarHBondContact O-N 2.87Å; L32-E35 HydrophobicContact CB-CG 4.07Å; L32-E35 PolarHBondContact O-N 3.4Å
33A91.4Very high86.3Confident13 Ų1389.6 Ų89.611%0.10746%0.461CS..G310 helixtrans-65.4-29.4176.300000112.2E35 C36 H86 W87 R90A33-E35 PolarHBondContact O-N 3.33Å; A33-C36 PolarHBondContact O-N 3.49Å; A33-C36 VanDerWaalsContact O-N 3.14Å; A33-H86 HydrophobicContact CB-CB 4.3Å; A33-W87 HydrophobicContact CB-CD2 3.88Å; A33-W87 HydrophobicContact CB-CE3 4.04Å; A33-W87 HydrophobicContact CB-CG 4.31Å; A33-W87 HydrophobicContact CB-CH2 4.45Å; A33-W87 HydrophobicContact CB-CZ2 4.31Å; A33-W87 HydrophobicContact CB-CZ3 4.32Å; A33-R90 HydrophobicContact CB-CB 4.04Å; A33-R90 HydrophobicContact CB-CG 4.4Å; A33-R90 WeakPolarHBondContact O-CG 3.29Å
34S90.2Very high87.6Confident76 Ų7690.1 Ų90.153%0.53144%0.441SS..G310 helixtrans-62.1-27.9179.350.30000113.8L32 C36 R90L32-S34 PolarHBondContact O-N 2.87Å; S34-C36 PolarHBondContact O-N 2.88Å; S34-R90 PolarHBondContact O-NH2 3.35Å
35E91.3Very high88.9Confident126 Ų12682.9 Ų82.959%0.58941%0.409SS*.G310 helixtrans-67.7-20.5177.7-68.2175.4178.300112.6L32 A33L32-E35 HydrophobicContact CB-CG 4.07Å; L32-E35 PolarHBondContact O-N 3.4Å; A33-E35 PolarHBondContact O-N 3.33Å
36C91.1Very high90Very high9 Ų977.7 Ų77.76%0.06138%0.375CS..  trans-84.5118.5177.8-167.30000110.6A33 S34 E38 W87 R90A33-C36 PolarHBondContact O-N 3.49Å; A33-C36 VanDerWaalsContact O-N 3.14Å; S34-C36 PolarHBondContact O-N 2.88Å; C36-E38 PolarHBondContact SG-O 3.46Å; C36-E38 VanDerWaalsContact SG-O 3.39Å; C36-W87 HydrophobicContact CB-CH2 3.82Å; C36-W87 HydrophobicContact CB-CZ3 3.57Å; C36-R90 PolarHBondContact O-NE 3.48Å; C36-R90 PolarHBondContact O-NH2 2.88Å
37T91.3Very high90.9Very high99 Ų9976.9 Ų76.961%0.60737%0.367SS*.  trans-95.2-21.5175.154.70000112.9L94T37-L94 WeakPolarHBondContact O-CD2 3.46Å
38E93.4Very high91.5Very high99 Ų9976.3 Ų76.346%0.46337%0.365SS..  trans-91.6119.8-174.9-62.4-59.3144.900111.8C36 K41 A42C36-E38 PolarHBondContact SG-O 3.46Å; C36-E38 VanDerWaalsContact SG-O 3.39Å; E38-K41 HydrophobicContact CB-CB 4.01Å; E38-K41 HydrophobicContact CB-CD 4.02Å; E38-K41 HydrophobicContact CB-CG 3.84Å; E38-K41 HydrophobicContact CG-CD 4.23Å; E38-K41 PolarHBondContact O-N 2.9Å; E38-A42 PolarHBondContact O-N 2.68Å; E38-A42 VanDerWaalsContact O-N 3.07Å
39L92.7Very high91.9Very high54 Ų5465.5 Ų65.528%0.28332%0.324SS..Hα-helixtrans-53.3-50.9174.6179.164000113.8K41 A42 E43 I91 L94L39-K41 VanDerWaalsContact C-N 3.25Å; L39-K41 PolarHBondContact O-N 2.83Å; L39-A42 WeakPolarHBondContact O-CB 3.35Å; L39-A42 PolarHBondContact O-N 3.31Å; L39-A42 VanDerWaalsContact O-N 3.14Å; L39-E43 PolarHBondContact O-N 3.27Å; L39-I91 HydrophobicContact CD1-CB 4.46Å; L39-I91 HydrophobicContact CD1-CG2 3.85Å; L39-L94 HydrophobicContact CB-CB 4.44Å; L39-L94 HydrophobicContact CD1-CB 4.23Å
40P92.9Very high92.1Very high87 Ų8766.1 Ų66.157%0.56533%0.33SS*.Hα-helixtrans-65.5-28.5-177.324.6-34.6000113K44P40-K44 PolarHBondContact O-N 2.65Å; P40-K44 VanDerWaalsContact O-N 3.14Å
41K92.6Very high92.2Very high89 Ų8965.8 Ų65.839%0.38733%0.334SS..Hα-helixtrans-72.1-42.1174.4-64.5-169.1-177.8-1660110.9E27 E38 L39 E43 K44 W45E27-K41 IonicContact OE1-NZ 2.68Å; E27-K41 PolarHBondContact OE1-NZ 2.96Å; E38-K41 HydrophobicContact CB-CB 4.01Å; E38-K41 HydrophobicContact CB-CD 4.02Å; E38-K41 HydrophobicContact CB-CG 3.84Å; E38-K41 HydrophobicContact CG-CD 4.23Å; E38-K41 PolarHBondContact O-N 2.9Å; L39-K41 VanDerWaalsContact C-N 3.25Å; L39-K41 PolarHBondContact O-N 2.83Å; K41-E43 VanDerWaalsContact C-N 3.32Å; K41-E43 PolarHBondContact O-N 3.47Å; K41-K44 WeakPolarHBondContact O-CB 3.31Å; K41-K44 PolarHBondContact O-N 3.46Å; K41-W45 PolarHBondContact O-N 2.85Å
42A93.5Very high92.4Very high0 Ų060.1 Ų60.10%031%0.309CS..Hα-helixtrans-59.5-42.8176.100000111.8E38 L39 K44 W45 R46 W87 I91 L94E38-A42 PolarHBondContact O-N 2.68Å; E38-A42 VanDerWaalsContact O-N 3.07Å; L39-A42 WeakPolarHBondContact O-CB 3.35Å; L39-A42 PolarHBondContact O-N 3.31Å; L39-A42 VanDerWaalsContact O-N 3.14Å; A42-K44 PolarHBondContact O-N 3.45Å; A42-W45 PolarHBondContact O-N 3.49Å; A42-R46 PolarHBondContact O-N 3Å; A42-W87 HydrophobicContact CB-CE3 3.99Å; A42-W87 HydrophobicContact CB-CZ3 4.05Å; A42-I91 HydrophobicContact CB-CD1 4.43Å; A42-I91 HydrophobicContact CB-CG1 3.66Å; A42-L94 HydrophobicContact CB-CD1 4.29Å
43E92.3Very high92.4Very high36 Ų3656.1 Ų56.117%0.16829%0.288CS..Hα-helixtrans-64.2-39.4174.5-70.6-170.2-177.300113.5L39 K41 W45 R46 R47 I91 Y99L39-E43 PolarHBondContact O-N 3.27Å; K41-E43 VanDerWaalsContact C-N 3.32Å; K41-E43 PolarHBondContact O-N 3.47Å; E43-W45 VanDerWaalsContact C-N 3.34Å; E43-R46 PolarHBondContact O-N 2.96Å; E43-R47 WeakPolarHBondContact O-CG 3.39Å; E43-R47 PolarHBondContact O-N 3.38Å; E43-R47 IonicContact OE2-NH2 2.91Å; E43-R47 PolarHBondContact OE2-NH2 2.96Å; E43-I91 HydrophobicContact CG-CD1 4.16Å; E43-I91 HydrophobicContact CG-CG1 4.46Å; E43-Y99 HydrophobicContact CG-CE2 4.41Å
44K93Very high92.4Very high92 Ų9258.6 Ų58.640%0.431%0.305SS..Hα-helixtrans-58.7-46.3174.6176.1-173.8171.8-171.80110.6E27 P40 K41 A42 R47 Q48E27-K44 IonicContact OE2-NZ 2.77Å; E27-K44 PolarHBondContact OE2-NZ 3.28Å; P40-K44 PolarHBondContact O-N 2.65Å; P40-K44 VanDerWaalsContact O-N 3.14Å; K41-K44 WeakPolarHBondContact O-CB 3.31Å; K41-K44 PolarHBondContact O-N 3.46Å; A42-K44 PolarHBondContact O-N 3.45Å; K44-R47 PolarHBondContact O-N 3.46Å; K44-Q48 PolarHBondContact O-N 2.85Å
45W94.2Very high92.6Very high10 Ų1062.2 Ų62.24%0.03831%0.311CS..Hα-helixtrans-65.7-40.1178.2-61.9131.3000112.7E27 R28 R29 K41 A42 E43 R47 Q48 I49 W87E27-W45 HydrophobicContact CB-CH2 3.72Å; E27-W45 HydrophobicContact CB-CZ2 4.01Å; E27-W45 VanDerWaalsContact O-CH2 3.27Å; E27-W45 WeakPolarHBondContact O-CH2 3.46Å; R28-W45 VanDerWaalsContact C-CH2 3.49Å; R29-W45 HydrophobicContact CB-CD2 3.92Å; R29-W45 HydrophobicContact CB-CE3 3.52Å; R29-W45 HydrophobicContact CB-CZ3 3.87Å; R29-W45 HydrophobicContact CG-CB 4.09Å; R29-W45 HydrophobicContact CG-CD2 3.89Å; R29-W45 HydrophobicContact CG-CE3 3.91Å; R29-W45 HydrophobicContact CG-CG 3.96Å; K41-W45 PolarHBondContact O-N 2.85Å; A42-W45 PolarHBondContact O-N 3.49Å; E43-W45 VanDerWaalsContact C-N 3.34Å; W45-R47 PolarHBondContact O-N 3.35Å; W45-Q48 WeakPolarHBondContact O-CB 3.5Å; W45-Q48 PolarHBondContact O-N 2.87Å; W45-I49 WeakPolarHBondContact O-CG1 3.32Å; W45-I49 PolarHBondContact O-N 3.26Å; W45-W87 HydrophobicContact CB-CD2 4.08Å; W45-W87 HydrophobicContact CB-CE3 4.15Å; W45-W87 HydrophobicContact CB-CH2 4.21Å; W45-W87 HydrophobicContact CB-CZ2 4.13Å; W45-W87 HydrophobicContact CB-CZ3 4.21Å; W45-W87 AromaticContact CD1-CH2 3.41Å; W45-W87 VanDerWaalsContact CD1-CH2 3.41Å; W45-W87 AromaticContact CD1-CZ3 3.61Å; W45-W87 HydrophobicContact CG-CH2 4.02Å; W45-W87 HydrophobicContact CG-CZ2 4.2Å; W45-W87 HydrophobicContact CG-CZ3 4.27Å
46R92.6Very high92.7Very high22 Ų2258.4 Ų58.48%0.08329%0.293CS..Hα-helixtrans-57.2-48.5172.6179.3-175.8175.8-94.6-4.7111.6A42 E43 Q48 I49 I50 W87 E88 I91 Y99A42-R46 PolarHBondContact O-N 3Å; E43-R46 PolarHBondContact O-N 2.96Å; R46-Q48 VanDerWaalsContact C-N 3.31Å; R46-Q48 PolarHBondContact O-N 3.37Å; R46-I49 PolarHBondContact O-N 3.26Å; R46-I50 HydrophobicContact CG-CD1 4.15Å; R46-I50 WeakPolarHBondContact O-CG1 3.35Å; R46-I50 PolarHBondContact O-N 2.93Å; R46-W87 HydrophobicContact CB-CB 4.49Å; R46-E88 HydrophobicContact CG-CG 4.41Å; R46-E88 IonicContact CZ-OE1 3.29Å; R46-E88 IonicContact NE-OE1 3.75Å; R46-E88 PolarHBondContact NE-OE1 3.5Å; R46-E88 IonicContact NH2-OE1 2.59Å; R46-E88 PolarHBondContact NH2-OE1 2.88Å; R46-I91 HydrophobicContact CB-CD1 3.97Å; R46-I91 HydrophobicContact CG-CD1 4.42Å; R46-Y99 VanDerWaalsContact CZ-CD1 3.47Å
47R92.1Very high92.6Very high147 Ų14758.2 Ų58.256%0.55529%0.292SS*.Hα-helixtrans-62.4-38.6178-72.4-178.8-125.4143.50.2112E43 K44 W45 I50 G51E43-R47 WeakPolarHBondContact O-CG 3.39Å; E43-R47 PolarHBondContact O-N 3.38Å; E43-R47 IonicContact OE2-NH2 2.91Å; E43-R47 PolarHBondContact OE2-NH2 2.96Å; K44-R47 PolarHBondContact O-N 3.46Å; W45-R47 PolarHBondContact O-N 3.35Å; R47-I50 PolarHBondContact O-N 2.88Å; R47-G51 PolarHBondContact O-N 3.43Å
48Q93.2Very high92.6Very high76 Ų7656.4 Ų56.436%0.35529%0.286SS..Hα-helixtrans-62.1-45.6174.9-178.6178.6-23.200112K44 W45 R46 I50 G51 E52K44-Q48 PolarHBondContact O-N 2.85Å; W45-Q48 WeakPolarHBondContact O-CB 3.5Å; W45-Q48 PolarHBondContact O-N 2.87Å; R46-Q48 VanDerWaalsContact C-N 3.31Å; R46-Q48 PolarHBondContact O-N 3.37Å; Q48-I50 VanDerWaalsContact C-N 3.3Å; Q48-I50 PolarHBondContact O-N 3.27Å; Q48-G51 PolarHBondContact O-N 3.39Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.46Å; Q48-E52 PolarHBondContact NE2-OE1 3.39Å; Q48-E52 WeakPolarHBondContact O-CG 3.34Å; Q48-E52 PolarHBondContact O-N 2.87Å
49I93.2Very high92.5Very high0 Ų055.7 Ų55.70%028%0.283CS..Hα-helixtrans-58.8-44.4176.7-68.9166000110.6R29 W45 R46 G51 E52 I53 L80 E83 K84 W87R29-I49 VanDerWaalsContact CZ-CG1 3.44Å; W45-I49 WeakPolarHBondContact O-CG1 3.32Å; W45-I49 PolarHBondContact O-N 3.26Å; R46-I49 PolarHBondContact O-N 3.26Å; I49-G51 VanDerWaalsContact C-N 3.31Å; I49-G51 PolarHBondContact O-N 3.48Å; I49-E52 PolarHBondContact O-N 3.35Å; I49-I53 HydrophobicContact CG2-CD1 3.76Å; I49-I53 HydrophobicContact CG2-CG1 4.29Å; I49-I53 VanDerWaalsContact O-CG1 3.31Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.49Å; I49-L80 HydrophobicContact CG2-CB 4.15Å; I49-L80 HydrophobicContact CG2-CD2 4.35Å; I49-L80 VanDerWaalsContact CG2-O 3.3Å; I49-L80 WeakPolarHBondContact CG2-O 3.45Å; I49-E83 HydrophobicContact CD1-CB 4.15Å; I49-K84 HydrophobicContact CG2-CB 3.87Å; I49-W87 HydrophobicContact CD1-CG 4.05Å
50I91.6Very high92.4Very high58 Ų5853.1 Ų53.130%0.29727%0.269SS..Hα-helixtrans-58.9-44.3177.5-67.3166.5000110.6R46 R47 Q48 E52 I53 S54 K84R46-I50 HydrophobicContact CG-CD1 4.15Å; R46-I50 WeakPolarHBondContact O-CG1 3.35Å; R46-I50 PolarHBondContact O-N 2.93Å; R47-I50 PolarHBondContact O-N 2.88Å; Q48-I50 VanDerWaalsContact C-N 3.3Å; Q48-I50 PolarHBondContact O-N 3.27Å; I50-E52 PolarHBondContact O-N 2.91Å; I50-I53 PolarHBondContact O-N 3.46Å; I50-S54 PolarHBondContact O-N 2.89Å; I50-S54 PolarHBondContact O-OG 3.05Å; I50-K84 HydrophobicContact CG1-CD 4.35Å
51G92.9Very high92.2Very high30 Ų3053.6 Ų53.631%0.30926%0.264SS..Hα-helixtrans-64.8-37.2176.300000113.9R47 Q48 I49 K55R47-G51 PolarHBondContact O-N 3.43Å; Q48-G51 PolarHBondContact O-N 3.39Å; I49-G51 VanDerWaalsContact C-N 3.31Å; I49-G51 PolarHBondContact O-N 3.48Å; G51-K55 WeakPolarHBondContact O-CG 2.91Å; G51-K55 PolarHBondContact O-N 2.93Å
52E93.5Very high91.9Very high55 Ų5553.7 Ų53.726%0.25727%0.269SS..Hα-helixtrans-63.7-43.2173-73.2167.7-164.200111.2R29 Q48 I49 I50 K55 K56 L80R29-E52 IonicContact CZ-OE2 2.65Å; R29-E52 IonicContact NH1-OE1 3.9Å; R29-E52 PolarHBondContact NH1-OE1 2.86Å; R29-E52 IonicContact NH1-OE2 2.8Å; R29-E52 PolarHBondContact NH1-OE2 3.29Å; R29-E52 IonicContact NH2-OE2 2.88Å; R29-E52 PolarHBondContact NH2-OE2 2.59Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.46Å; Q48-E52 PolarHBondContact NE2-OE1 3.39Å; Q48-E52 WeakPolarHBondContact O-CG 3.34Å; Q48-E52 PolarHBondContact O-N 2.87Å; I49-E52 PolarHBondContact O-N 3.35Å; I50-E52 PolarHBondContact O-N 2.91Å; E52-K55 PolarHBondContact O-N 3.36Å; E52-K56 WeakPolarHBondContact O-CG 3.02Å; E52-K56 PolarHBondContact O-N 2.88Å; E52-L80 HydrophobicContact CB-CD1 3.93Å; E52-L80 WeakPolarHBondContact OE2-CD2 3.08Å
53I92Very high91.2Very high0 Ų057.5 Ų57.50%030%0.301CS..Hα-helixtrans-62.2-51.5175.9-66.1164.7000110.5I49 I50 K55 K56 V57 I77 L80 L81 L107I49-I53 HydrophobicContact CG2-CD1 3.76Å; I49-I53 HydrophobicContact CG2-CG1 4.29Å; I49-I53 VanDerWaalsContact O-CG1 3.31Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.49Å; I50-I53 PolarHBondContact O-N 3.46Å; I53-K55 PolarHBondContact O-N 2.94Å; I53-K56 PolarHBondContact O-N 3.47Å; I53-V57 HydrophobicContact CG2-CG2 3.9Å; I53-V57 WeakPolarHBondContact O-CG2 3.48Å; I53-V57 PolarHBondContact O-N 3.07Å; I53-I77 HydrophobicContact CG2-CG2 4.02Å; I53-L80 HydrophobicContact CD1-CB 3.97Å; I53-L80 HydrophobicContact CG1-CB 3.54Å; I53-L80 HydrophobicContact CG1-CD1 3.99Å; I53-L80 HydrophobicContact CG1-CG 4.4Å; I53-L81 HydrophobicContact CD1-CD2 4.18Å; I53-L81 HydrophobicContact CD1-CG 4.17Å; I53-L107 HydrophobicContact CB-CD2 4.46Å; I53-L107 HydrophobicContact CD1-CD2 4.03Å; I53-L107 HydrophobicContact CG2-CD1 3.54Å; I53-L107 HydrophobicContact CG2-CD2 3.57Å; I53-L107 HydrophobicContact CG2-CG 4.17Å
54S91.1Very high90.9Very high66 Ų6659.6 Ų59.646%0.46233%0.331SS..Hα-helixtrans-57-38.2-179-62.10000112.5I50 A58I50-S54 PolarHBondContact O-N 2.89Å; I50-S54 PolarHBondContact O-OG 3.05Å; S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.33Å
55K93.1Very high90.4Very high151 Ų15157.7 Ų57.766%0.65733%0.325SS*.Hα-helixtrans-64.1-42.2174.8-72.9172.8-176.1178.80112.4G51 E52 I53 Q59G51-K55 WeakPolarHBondContact O-CG 2.91Å; G51-K55 PolarHBondContact O-N 2.93Å; E52-K55 PolarHBondContact O-N 3.36Å; I53-K55 PolarHBondContact O-N 2.94Å; K55-Q59 WeakPolarHBondContact O-CG 3.39Å; K55-Q59 PolarHBondContact O-N 2.95Å; K55-Q59 VanDerWaalsContact O-N 3.15Å
56K93.5Very high90.2Very high46 Ų4659.7 Ų59.720%0.235%0.349CS..Hα-helixtrans-72.3-38178.5-68.4-173.4-171.7-171.60112.2E52 I53 A58 Q59 I60 L73 E76 I77 L80E52-K56 WeakPolarHBondContact O-CG 3.02Å; E52-K56 PolarHBondContact O-N 2.88Å; I53-K56 PolarHBondContact O-N 3.47Å; K56-A58 VanDerWaalsContact C-N 3.33Å; K56-A58 PolarHBondContact O-N 3.33Å; K56-Q59 WeakPolarHBondContact O-CA 3.38Å; K56-Q59 WeakPolarHBondContact O-CB 3.38Å; K56-Q59 PolarHBondContact O-N 3.43Å; K56-Q59 VanDerWaalsContact O-N 3.09Å; K56-I60 WeakPolarHBondContact O-CG1 3.38Å; K56-I60 PolarHBondContact O-N 2.92Å; K56-L73 HydrophobicContact CG-CD2 4.39Å; K56-E76 HydrophobicContact CD-CB 4.06Å; K56-E76 VanDerWaalsContact CE-OE2 3.23Å; K56-E76 WeakPolarHBondContact CE-OE2 3.48Å; K56-E76 IonicContact NZ-OE2 3.02Å; K56-E76 PolarHBondContact NZ-OE2 3.42Å; K56-I77 HydrophobicContact CB-CD1 3.77Å; K56-I77 HydrophobicContact CB-CG1 3.56Å; K56-I77 HydrophobicContact CD-CG1 4.21Å; K56-L80 HydrophobicContact CD-CD1 4.01Å
57V90.6Very high90Very high6 Ų661.6 Ų61.64%0.03636%0.359CS..Hα-helixtrans-58.4-48.1172.4172.90000110I53 Q59 I60 Q61 I77 L107 E110 F123I53-V57 HydrophobicContact CG2-CG2 3.9Å; I53-V57 WeakPolarHBondContact O-CG2 3.48Å; I53-V57 PolarHBondContact O-N 3.07Å; V57-Q59 PolarHBondContact O-N 2.8Å; V57-I60 PolarHBondContact O-N 3.48Å; V57-Q61 HydrophobicContact CG1-CG 4.49Å; V57-Q61 WeakPolarHBondContact O-CG 3.33Å; V57-Q61 PolarHBondContact O-N 2.92Å; V57-I77 HydrophobicContact CG2-CD1 3.82Å; V57-L107 HydrophobicContact CG2-CD1 3.98Å; V57-E110 WeakPolarHBondContact CG1-OE2 3.12Å; V57-F123 HydrophobicContact CG2-CD1 4.49Å
58A90.9Very high90Very high60 Ų6062.1 Ų62.150%0.49637%0.365SS..Hα-helixtrans-59.3-3217600000112.9S54 K56 N62S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.33Å; K56-A58 VanDerWaalsContact C-N 3.33Å; K56-A58 PolarHBondContact O-N 3.33Å; A58-N62 PolarHBondContact O-ND2 3.5Å; A58-N62 VanDerWaalsContact O-ND2 3.12Å
59Q91.4Very high90Very high84 Ų8464.1 Ų64.139%0.39337%0.37SS..Hα-helixtrans-70.5-43173.1-71.41744.200112.3K55 K56 V57 Q61 N62 L73K55-Q59 WeakPolarHBondContact O-CG 3.39Å; K55-Q59 PolarHBondContact O-N 2.95Å; K55-Q59 VanDerWaalsContact O-N 3.15Å; K56-Q59 WeakPolarHBondContact O-CA 3.38Å; K56-Q59 WeakPolarHBondContact O-CB 3.38Å; K56-Q59 PolarHBondContact O-N 3.43Å; K56-Q59 VanDerWaalsContact O-N 3.09Å; V57-Q59 PolarHBondContact O-N 2.8Å; Q59-Q61 VanDerWaalsContact C-N 3.32Å; Q59-Q61 PolarHBondContact O-N 2.93Å; Q59-N62 WeakPolarHBondContact O-CB 3.49Å; Q59-N62 PolarHBondContact O-N 2.96Å; Q59-N62 PolarHBondContact O-ND2 3.29Å; Q59-L73 HydrophobicContact CB-CD1 4.06Å
60I89.9Confident89.9Confident0 Ų064.5 Ų64.50%037%0.372CS..Hα-helixtrans-66.7-30.9179.8-68.8-178.1000112.5K56 V57 N62 I70 L73 N74 I77 F123 A125 A126K56-I60 WeakPolarHBondContact O-CG1 3.38Å; K56-I60 PolarHBondContact O-N 2.92Å; V57-I60 PolarHBondContact O-N 3.48Å; I60-N62 PolarHBondContact O-N 3.34Å; I60-N62 VanDerWaalsContact O-N 3.12Å; I60-I70 HydrophobicContact CG2-CG2 4.33Å; I60-L73 HydrophobicContact CD1-CB 3.63Å; I60-L73 HydrophobicContact CG1-CB 3.5Å; I60-L73 VanDerWaalsContact CG1-CB 3.5Å; I60-L73 HydrophobicContact CG1-CD1 3.94Å; I60-L73 HydrophobicContact CG1-CG 4.35Å; I60-N74 HydrophobicContact CD1-CB 4.27Å; I60-I77 HydrophobicContact CD1-CD1 3.27Å; I60-I77 HydrophobicContact CD1-CG1 4.38Å; I60-I77 HydrophobicContact CG1-CD1 4.23Å; I60-F123 WeakPolarHBondContact CG2-O 3.42Å; I60-A125 HydrophobicContact CG2-CB 4.49Å; I60-A125 WeakPolarHBondContact O-CB 3.45Å; I60-A126 HydrophobicContact CG2-CB 4.28Å
61Q88Confident90Very high97 Ų9767 Ų6745%0.45338%0.377SS..THydrogen-bonded Turntrans-60.3-21.5176.1-68.3-67.1-0.100112.7V57 Q59 A63V57-Q61 HydrophobicContact CG1-CG 4.49Å; V57-Q61 WeakPolarHBondContact O-CG 3.33Å; V57-Q61 PolarHBondContact O-N 2.92Å; Q59-Q61 VanDerWaalsContact C-N 3.32Å; Q59-Q61 PolarHBondContact O-N 2.93Å; Q61-A63 PolarHBondContact O-N 2.94Å; Q61-A63 VanDerWaalsContact O-N 3.14Å
62N87.5Confident90Very high92 Ų9269.5 Ų69.549%0.49238%0.384SS..  trans-79.395.8174.4-58-55.1000110.1A58 Q59 I60 G64 L65A58-N62 PolarHBondContact O-ND2 3.5Å; A58-N62 VanDerWaalsContact O-ND2 3.12Å; Q59-N62 WeakPolarHBondContact O-CB 3.49Å; Q59-N62 PolarHBondContact O-N 2.96Å; Q59-N62 PolarHBondContact O-ND2 3.29Å; I60-N62 PolarHBondContact O-N 3.34Å; I60-N62 VanDerWaalsContact O-N 3.12Å; N62-G64 PolarHBondContact O-N 2.92Å; N62-L65 HydrophobicContact CB-CD1 3.71Å; N62-L65 PolarHBondContact O-N 2.95Å; N62-L65 VanDerWaalsContact O-N 3.09Å
63A78.6Confident90Very high80 Ų8066.9 Ų66.966%0.66137%0.371SS*.THydrogen-bonded Turntrans-61.7-11.1179.500000114.8Q61 L65 A125Q61-A63 PolarHBondContact O-N 2.94Å; Q61-A63 VanDerWaalsContact O-N 3.14Å; A63-L65 VanDerWaalsContact C-N 3.3Å; A63-A125 HydrophobicContact CB-CB 4.25Å
64G85Confident90.1Very high79 Ų7966.9 Ų66.981%0.81437%0.372SS*.THydrogen-bonded Turntrans-79.5-5.5174.300000114.6N62N62-G64 PolarHBondContact O-N 2.92Å
65L82.7Confident90.2Very high52 Ų5267.6 Ų67.627%0.27237%0.37SS..SBendtrans-71.8127.4167.9-87.664.4000107.8N62 A63 R69 I70 L73N62-L65 HydrophobicContact CB-CD1 3.71Å; N62-L65 PolarHBondContact O-N 2.95Å; N62-L65 VanDerWaalsContact O-N 3.09Å; A63-L65 VanDerWaalsContact C-N 3.3Å; L65-R69 HydrophobicContact CD2-CG 4.02Å; L65-R69 HydrophobicContact CG-CG 4.44Å; L65-I70 HydrophobicContact CB-CD1 4.45Å; L65-I70 HydrophobicContact CB-CG1 3.96Å; L65-I70 WeakPolarHBondContact O-CD1 3.49Å; L65-I70 WeakPolarHBondContact O-CG1 3.3Å; L65-L73 HydrophobicContact CD2-CD1 3.64Å
66G90.1Very high90.3Very high52 Ų5263.7 Ų63.754%0.53635%0.354SS..  trans-52.9149.9178.400000112.5F68 R69 I70G66-F68 VanDerWaalsContact C-N 3.32Å; G66-F68 PolarHBondContact O-N 3.36Å; G66-R69 WeakPolarHBondContact O-CB 3.33Å; G66-R69 PolarHBondContact O-N 3.47Å; G66-I70 PolarHBondContact O-N 3.48Å
67E90.1Very high90.2Very high62 Ų6261.5 Ų61.529%0.2935%0.345SS..Hα-helixtrans-49.9-46.1-172.9159.2162.5-145.700113.9R69 I70 R71 L129 P130E67-R69 VanDerWaalsContact C-N 3.27Å; E67-R69 PolarHBondContact O-N 2.85Å; E67-I70 WeakPolarHBondContact O-CB 3.34Å; E67-I70 PolarHBondContact O-N 3.28Å; E67-I70 VanDerWaalsContact O-N 3.11Å; E67-R71 WeakPolarHBondContact O-CG 3.29Å; E67-R71 PolarHBondContact O-N 2.93Å; E67-R71 IonicContact OE1-CZ 3.12Å; E67-R71 VanDerWaalsContact OE1-CZ 3.27Å; E67-R71 IonicContact OE1-NE 2.61Å; E67-R71 PolarHBondContact OE1-NE 3.02Å; E67-R71 IonicContact OE1-NH2 2.66Å; E67-R71 PolarHBondContact OE1-NH2 3.44Å; E67-L129 HydrophobicContact CB-CD2 4.02Å; E67-L129 HydrophobicContact CG-CD2 3.67Å; E67-P130 WeakPolarHBondContact OE1-CD 3.42Å
68F91.8Very high90.3Very high158 Ų15861.4 Ų61.469%0.69334%0.344SS*.Hα-helixtrans-57.4-41.9178.7-62.8-73.9000112.2G66 I70 R71 D72G66-F68 VanDerWaalsContact C-N 3.32Å; G66-F68 PolarHBondContact O-N 3.36Å; F68-I70 VanDerWaalsContact C-N 3.33Å; F68-I70 PolarHBondContact O-N 3.46Å; F68-R71 PolarHBondContact O-N 3.22Å; F68-D72 PolarHBondContact O-N 2.76Å
69R92.3Very high90.4Very high119 Ų11963.8 Ų63.845%0.44934%0.343SS..Hα-helixtrans-67.1-37.5179.2-171.865178.9156.15.1111.3L65 G66 E67 L73L65-R69 HydrophobicContact CD2-CG 4.02Å; L65-R69 HydrophobicContact CG-CG 4.44Å; G66-R69 WeakPolarHBondContact O-CB 3.33Å; G66-R69 PolarHBondContact O-N 3.47Å; E67-R69 VanDerWaalsContact C-N 3.27Å; E67-R69 PolarHBondContact O-N 2.85Å; R69-L73 HydrophobicContact CG-CD1 4.22Å; R69-L73 WeakPolarHBondContact O-CB 3.29Å; R69-L73 VanDerWaalsContact O-CG 3.22Å; R69-L73 WeakPolarHBondContact O-CG 3.29Å; R69-L73 PolarHBondContact O-N 3.31Å
70I92.4Very high90.5Very high7 Ų760.2 Ų60.24%0.03633%0.327CS..Hα-helixtrans-64.2-42.6175.7-65.9175.2000110.4I60 L65 G66 E67 F68 L73 N74 A125 A126 L129I60-I70 HydrophobicContact CG2-CG2 4.33Å; L65-I70 HydrophobicContact CB-CD1 4.45Å; L65-I70 HydrophobicContact CB-CG1 3.96Å; L65-I70 WeakPolarHBondContact O-CD1 3.49Å; L65-I70 WeakPolarHBondContact O-CG1 3.3Å; G66-I70 PolarHBondContact O-N 3.48Å; E67-I70 WeakPolarHBondContact O-CB 3.34Å; E67-I70 PolarHBondContact O-N 3.28Å; E67-I70 VanDerWaalsContact O-N 3.11Å; F68-I70 VanDerWaalsContact C-N 3.33Å; F68-I70 PolarHBondContact O-N 3.46Å; I70-L73 PolarHBondContact O-N 3.46Å; I70-N74 WeakPolarHBondContact O-CB 3.44Å; I70-N74 PolarHBondContact O-N 3.12Å; I70-A125 HydrophobicContact CD1-CB 3.95Å; I70-A126 VanDerWaalsContact CG2-CA 3.47Å; I70-A126 HydrophobicContact CG2-CB 3.64Å; I70-L129 HydrophobicContact CB-CD2 4.4Å; I70-L129 HydrophobicContact CG2-CD1 4.11Å; I70-L129 HydrophobicContact CG2-CD2 4.2Å; I70-L129 HydrophobicContact CG2-CG 4.29Å
71R92Very high90.6Very high110 Ų11061.7 Ų61.742%0.41533%0.334SS..Hα-helixtrans-60.3-50.8175.8-68.8178.1-175.9-164.6-0.1111.7E67 F68 L73 N74 D75 L129E67-R71 WeakPolarHBondContact O-CG 3.29Å; E67-R71 PolarHBondContact O-N 2.93Å; E67-R71 IonicContact OE1-CZ 3.12Å; E67-R71 VanDerWaalsContact OE1-CZ 3.27Å; E67-R71 IonicContact OE1-NE 2.61Å; E67-R71 PolarHBondContact OE1-NE 3.02Å; E67-R71 IonicContact OE1-NH2 2.66Å; E67-R71 PolarHBondContact OE1-NH2 3.44Å; F68-R71 PolarHBondContact O-N 3.22Å; R71-L73 VanDerWaalsContact C-N 3.33Å; R71-L73 PolarHBondContact O-N 3.13Å; R71-N74 WeakPolarHBondContact O-CB 3.4Å; R71-N74 PolarHBondContact O-N 3.01Å; R71-N74 VanDerWaalsContact O-N 3.09Å; R71-D75 PolarHBondContact O-N 3.04Å; R71-L129 HydrophobicContact CG-CD1 3.5Å
72D93.9Very high90.7Very high83 Ų8363.2 Ų63.244%0.44434%0.336SS..Hα-helixtrans-58.3-45.3178.1-68.8-18000111.7F68 N74 D75 E76F68-D72 PolarHBondContact O-N 2.76Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 2.99Å; D72-D75 PolarHBondContact O-N 3.42Å; D72-E76 WeakPolarHBondContact O-CB 3.4Å; D72-E76 VanDerWaalsContact O-CG 3.28Å; D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 3.05Å
73L94.1Very high91Very high0 Ų060.8 Ų60.80%032%0.321CS..Hα-helixtrans-63.2-38.1177.5-73.8171.7000111.5K56 Q59 I60 L65 R69 I70 R71 E76 I77K56-L73 HydrophobicContact CG-CD2 4.39Å; Q59-L73 HydrophobicContact CB-CD1 4.06Å; I60-L73 HydrophobicContact CD1-CB 3.63Å; I60-L73 HydrophobicContact CG1-CB 3.5Å; I60-L73 VanDerWaalsContact CG1-CB 3.5Å; I60-L73 HydrophobicContact CG1-CD1 3.94Å; I60-L73 HydrophobicContact CG1-CG 4.35Å; L65-L73 HydrophobicContact CD2-CD1 3.64Å; R69-L73 HydrophobicContact CG-CD1 4.22Å; R69-L73 WeakPolarHBondContact O-CB 3.29Å; R69-L73 VanDerWaalsContact O-CG 3.22Å; R69-L73 WeakPolarHBondContact O-CG 3.29Å; R69-L73 PolarHBondContact O-N 3.31Å; I70-L73 PolarHBondContact O-N 3.46Å; R71-L73 VanDerWaalsContact C-N 3.33Å; R71-L73 PolarHBondContact O-N 3.13Å; L73-E76 PolarHBondContact O-N 3.27Å; L73-I77 VanDerWaalsContact O-CG1 3.27Å; L73-I77 WeakPolarHBondContact O-CG1 3.38Å; L73-I77 PolarHBondContact O-N 2.61Å
74N92.9Very high91.7Very high1 Ų158.9 Ų58.91%0.00530%0.298CS..Hα-helixtrans-66.5-42.3177.5-164.766.3000111.6I60 I70 R71 D72 I77 N78 Y120 K121 Y122 F123 A126I60-N74 HydrophobicContact CD1-CB 4.27Å; I70-N74 WeakPolarHBondContact O-CB 3.44Å; I70-N74 PolarHBondContact O-N 3.12Å; R71-N74 WeakPolarHBondContact O-CB 3.4Å; R71-N74 PolarHBondContact O-N 3.01Å; R71-N74 VanDerWaalsContact O-N 3.09Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 2.99Å; N74-I77 PolarHBondContact O-N 3.32Å; N74-N78 PolarHBondContact ND2-ND2 3.2Å; N74-N78 PolarHBondContact O-N 2.79Å; N74-N78 PolarHBondContact O-ND2 3.14Å; N74-Y120 WeakPolarHBondContact ND2-CE1 3.27Å; N74-Y120 PolarHBondContact ND2-OH 3.24Å; N74-K121 PolarHBondContact ND2-O 3.33Å; N74-K121 VanDerWaalsContact ND2-O 3.07Å; N74-K121 PolarHBondContact OD1-O 3.01Å; N74-Y122 WeakPolarHBondContact ND2-CD1 3.44Å; N74-Y122 WeakPolarHBondContact OD1-CA 3.22Å; N74-F123 WeakPolarHBondContact OD1-CD2 3.4Å; N74-F123 PolarHBondContact OD1-N 2.94Å; N74-F123 VanDerWaalsContact OD1-N 3.13Å; N74-A126 HydrophobicContact CB-CB 3.91Å
75D93.3Very high92Very high80 Ų8056.3 Ų56.343%0.42827%0.272SS..Hα-helixtrans-62.4-43.6174.1-77.7-27.4000112R71 D72 I77 N78 K79 Y120R71-D75 PolarHBondContact O-N 3.04Å; D72-D75 PolarHBondContact O-N 3.42Å; D75-I77 VanDerWaalsContact C-N 3.34Å; D75-I77 PolarHBondContact O-N 3.4Å; D75-N78 PolarHBondContact O-N 2.89Å; D75-K79 WeakPolarHBondContact O-CB 3.5Å; D75-K79 PolarHBondContact O-N 3.12Å; D75-Y120 VanDerWaalsContact OD1-CE2 3.27Å; D75-Y120 WeakPolarHBondContact OD1-CE2 3.48Å; D75-Y120 VanDerWaalsContact OD1-CZ 3.28Å; D75-Y120 PolarHBondContact OD1-OH 3.2Å
76E94.4Very high92.5Very high70 Ų7059.6 Ų59.633%0.32729%0.286SS..Hα-helixtrans-61.9-39.9175.8-78.1-178.5-175.900112.6K56 D72 L73 K79 L80K56-E76 HydrophobicContact CD-CB 4.06Å; K56-E76 VanDerWaalsContact CE-OE2 3.23Å; K56-E76 WeakPolarHBondContact CE-OE2 3.48Å; K56-E76 IonicContact NZ-OE2 3.02Å; K56-E76 PolarHBondContact NZ-OE2 3.42Å; D72-E76 WeakPolarHBondContact O-CB 3.4Å; D72-E76 VanDerWaalsContact O-CG 3.28Å; D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 3.05Å; L73-E76 PolarHBondContact O-N 3.27Å; E76-K79 PolarHBondContact O-N 3.09Å; E76-L80 WeakPolarHBondContact O-CG 3.32Å; E76-L80 PolarHBondContact O-N 3.38Å
77I92.7Very high92.7Very high0 Ų057.4 Ų57.40%026%0.261CS..Hα-helixtrans-65.8-45.4174.8-70.8171.9000110.6I53 K56 V57 I60 L73 N74 D75 K79 L80 L81 F123I53-I77 HydrophobicContact CG2-CG2 4.02Å; K56-I77 HydrophobicContact CB-CD1 3.77Å; K56-I77 HydrophobicContact CB-CG1 3.56Å; K56-I77 HydrophobicContact CD-CG1 4.21Å; V57-I77 HydrophobicContact CG2-CD1 3.82Å; I60-I77 HydrophobicContact CD1-CD1 3.27Å; I60-I77 HydrophobicContact CD1-CG1 4.38Å; I60-I77 HydrophobicContact CG1-CD1 4.23Å; L73-I77 VanDerWaalsContact O-CG1 3.27Å; L73-I77 WeakPolarHBondContact O-CG1 3.38Å; L73-I77 PolarHBondContact O-N 2.61Å; N74-I77 PolarHBondContact O-N 3.32Å; D75-I77 VanDerWaalsContact C-N 3.34Å; D75-I77 PolarHBondContact O-N 3.4Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 3.23Å; I77-L80 PolarHBondContact O-N 3.45Å; I77-L80 VanDerWaalsContact O-N 3.16Å; I77-L81 HydrophobicContact CG2-CD1 4.1Å; I77-L81 WeakPolarHBondContact O-CB 3.39Å; I77-L81 PolarHBondContact O-N 3.08Å; I77-F123 HydrophobicContact CB-CD2 4.22Å; I77-F123 HydrophobicContact CB-CE2 4.3Å; I77-F123 HydrophobicContact CD1-CD2 4.31Å; I77-F123 HydrophobicContact CG2-CD2 3.57Å; I77-F123 HydrophobicContact CG2-CE2 3.36Å; I77-F123 HydrophobicContact CG2-CG 4.29Å; I77-F123 HydrophobicContact CG2-CZ 3.91Å
78N92.6Very high92.8Very high3 Ų355.3 Ų55.32%0.01625%0.252CS..Hα-helixtrans-61.7-36.7177.2-78.9-67.4000111.9N74 D75 L81 R82 Y120 K121N74-N78 PolarHBondContact ND2-ND2 3.2Å; N74-N78 PolarHBondContact O-N 2.79Å; N74-N78 PolarHBondContact O-ND2 3.14Å; D75-N78 PolarHBondContact O-N 2.89Å; N78-L81 PolarHBondContact O-N 3.43Å; N78-R82 PolarHBondContact O-N 3.19Å; N78-R82 VanDerWaalsContact O-N 3.1Å; N78-Y120 HydrophobicContact CB-CD2 4.25Å; N78-Y120 HydrophobicContact CB-CE2 4.11Å; N78-K121 PolarHBondContact ND2-O 3.22Å; N78-K121 PolarHBondContact OD1-N 3.41Å; N78-K121 PolarHBondContact OD1-O 3.41Å
79K93.8Very high92.9Very high111 Ų11151.6 Ų51.648%0.48324%0.242SC..Hα-helixtrans-62.2-48.3172.3-175.2178177.7178.30111.6D75 E76 I77 L81 R82 E83D75-K79 WeakPolarHBondContact O-CB 3.5Å; D75-K79 PolarHBondContact O-N 3.12Å; E76-K79 PolarHBondContact O-N 3.09Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 3.23Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 3.43Å; K79-R82 PolarHBondContact O-N 3.1Å; K79-E83 WeakPolarHBondContact CE-OE1 3.5Å; K79-E83 WeakPolarHBondContact O-CG 3.42Å; K79-E83 PolarHBondContact O-N 3.06Å
80L93.2Very high93Very high9 Ų948 Ų485%0.04723%0.228CC..Hα-helixtrans-63.2-33.8177.1-72.5171.6000112.7I49 E52 I53 K56 E76 I77 E83 K84I49-L80 HydrophobicContact CG2-CB 4.15Å; I49-L80 HydrophobicContact CG2-CD2 4.35Å; I49-L80 VanDerWaalsContact CG2-O 3.3Å; I49-L80 WeakPolarHBondContact CG2-O 3.45Å; E52-L80 HydrophobicContact CB-CD1 3.93Å; E52-L80 WeakPolarHBondContact OE2-CD2 3.08Å; I53-L80 HydrophobicContact CD1-CB 3.97Å; I53-L80 HydrophobicContact CG1-CB 3.54Å; I53-L80 HydrophobicContact CG1-CD1 3.99Å; I53-L80 HydrophobicContact CG1-CG 4.4Å; K56-L80 HydrophobicContact CD-CD1 4.01Å; E76-L80 WeakPolarHBondContact O-CG 3.32Å; E76-L80 PolarHBondContact O-N 3.38Å; I77-L80 PolarHBondContact O-N 3.45Å; I77-L80 VanDerWaalsContact O-N 3.16Å; L80-E83 PolarHBondContact O-N 2.96Å; L80-K84 WeakPolarHBondContact O-CB 3.38Å; L80-K84 PolarHBondContact O-N 3.45Å
81L90.9Very high93.1Very high30 Ų3047.6 Ų47.616%0.15723%0.226CC..Hα-helixtrans-65.8-40.3174.7-88.6171000112.8I53 I77 N78 K79 K84 G85 L107 K121 F123I53-L81 HydrophobicContact CD1-CD2 4.18Å; I53-L81 HydrophobicContact CD1-CG 4.17Å; I77-L81 HydrophobicContact CG2-CD1 4.1Å; I77-L81 WeakPolarHBondContact O-CB 3.39Å; I77-L81 PolarHBondContact O-N 3.08Å; N78-L81 PolarHBondContact O-N 3.43Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 3.43Å; L81-K84 HydrophobicContact CD2-CD 4.3Å; L81-K84 WeakPolarHBondContact O-CB 3.43Å; L81-K84 PolarHBondContact O-N 2.99Å; L81-G85 PolarHBondContact O-N 2.93Å; L81-L107 HydrophobicContact CD1-CD2 4.33Å; L81-L107 HydrophobicContact CD2-CD2 3.37Å; L81-L107 HydrophobicContact CG-CD2 4.07Å; L81-K121 HydrophobicContact CD1-CD 4.35Å; L81-F123 HydrophobicContact CD1-CE1 4.38Å; L81-F123 HydrophobicContact CD1-CE2 3.88Å; L81-F123 HydrophobicContact CD1-CZ 3.37Å
82R91.3Very high93.2Very high130 Ų13047.9 Ų47.949%0.49123%0.231SC..Hα-helixtrans-64.7-45.5172.5-70.9-172.3-68.6-96.23.6111.2N78 K79 K84 G85 H86N78-R82 PolarHBondContact O-N 3.19Å; N78-R82 VanDerWaalsContact O-N 3.1Å; K79-R82 PolarHBondContact O-N 3.1Å; R82-K84 VanDerWaalsContact C-N 3.35Å; R82-K84 PolarHBondContact O-N 3.08Å; R82-G85 WeakPolarHBondContact O-CA 3.34Å; R82-G85 PolarHBondContact O-N 3.34Å; R82-G85 VanDerWaalsContact O-N 3.09Å; R82-H86 PolarHBondContact O-CD2 3.18Å; R82-H86 VanDerWaalsContact O-CD2 3.23Å; R82-H86 PolarHBondContact O-N 3.08Å
83E92.8Very high93.2Very high40 Ų4049.8 Ų49.819%0.18724%0.237CC..Hα-helixtrans-57.5-46.7174.4-70.9177.7-155.900111.2R29 I49 K79 L80 G85 H86 W87R29-E83 IonicContact CZ-OE2 3.99Å; R29-E83 IonicContact NE-OE2 3.05Å; R29-E83 IonicContact NH2-OE2 3.7Å; R29-E83 PolarHBondContact NH2-OE2 3.35Å; I49-E83 HydrophobicContact CD1-CB 4.15Å; K79-E83 WeakPolarHBondContact CE-OE1 3.5Å; K79-E83 WeakPolarHBondContact O-CG 3.42Å; K79-E83 PolarHBondContact O-N 3.06Å; L80-E83 PolarHBondContact O-N 2.96Å; E83-G85 VanDerWaalsContact C-N 3.28Å; E83-G85 PolarHBondContact O-N 3.36Å; E83-H86 WeakPolarHBondContact O-CB 3.39Å; E83-H86 PolarHBondContact O-N 3.06Å; E83-H86 VanDerWaalsContact O-N 3.11Å; E83-W87 PolarHBondContact O-N 3.17Å
84K92.6Very high93.2Very high40 Ų4052.1 Ų52.117%0.17425%0.249CC..Hα-helixtrans-53-46.9173.5177.6-169.3172.8-88.20110.9I49 I50 L80 L81 R82 H86 W87 E88I49-K84 HydrophobicContact CG2-CB 3.87Å; I50-K84 HydrophobicContact CG1-CD 4.35Å; L80-K84 WeakPolarHBondContact O-CB 3.38Å; L80-K84 PolarHBondContact O-N 3.45Å; L81-K84 HydrophobicContact CD2-CD 4.3Å; L81-K84 WeakPolarHBondContact O-CB 3.43Å; L81-K84 PolarHBondContact O-N 2.99Å; R82-K84 VanDerWaalsContact C-N 3.35Å; R82-K84 PolarHBondContact O-N 3.08Å; K84-H86 PolarHBondContact O-N 3.07Å; K84-W87 PolarHBondContact O-N 3.44Å; K84-E88 WeakPolarHBondContact CE-OE1 3.47Å; K84-E88 HydrophobicContact CG-CG 4.33Å; K84-E88 IonicContact NZ-OE1 2.63Å; K84-E88 PolarHBondContact NZ-OE1 3.26Å; K84-E88 IonicContact NZ-OE2 3.23Å; K84-E88 PolarHBondContact NZ-OE2 3.27Å; K84-E88 WeakPolarHBondContact O-CG 3.27Å; K84-E88 PolarHBondContact O-N 2.83Å
85G91.7Very high93.1Very high26 Ų2655.3 Ų55.327%0.26828%0.282SS..Hα-helixtrans-58-44.7177.200000112.6L81 R82 E83 W87 E88 V89L81-G85 PolarHBondContact O-N 2.93Å; R82-G85 WeakPolarHBondContact O-CA 3.34Å; R82-G85 PolarHBondContact O-N 3.34Å; R82-G85 VanDerWaalsContact O-N 3.09Å; E83-G85 VanDerWaalsContact C-N 3.28Å; E83-G85 PolarHBondContact O-N 3.36Å; G85-W87 PolarHBondContact O-N 3.35Å; G85-E88 PolarHBondContact O-N 3.25Å; G85-V89 WeakPolarHBondContact O-CG2 3.47Å; G85-V89 PolarHBondContact O-N 3.32Å
86H93.5Very high93Very high121 Ų12152.2 Ų52.256%0.5627%0.269SS*.Hα-helixtrans-61.5-41.9175.4-60.5-44.1000112.4A33 R82 E83 K84 V89 R90A33-H86 HydrophobicContact CB-CB 4.3Å; R82-H86 PolarHBondContact O-CD2 3.18Å; R82-H86 VanDerWaalsContact O-CD2 3.23Å; R82-H86 PolarHBondContact O-N 3.08Å; E83-H86 WeakPolarHBondContact O-CB 3.39Å; E83-H86 PolarHBondContact O-N 3.06Å; E83-H86 VanDerWaalsContact O-N 3.11Å; K84-H86 PolarHBondContact O-N 3.07Å; H86-V89 PolarHBondContact O-N 3.15Å; H86-R90 WeakPolarHBondContact O-CB 3.46Å; H86-R90 PolarHBondContact O-N 3.16Å
87W94.3Very high92.8Very high5 Ų552 Ų522%0.01927%0.274CS..Hα-helixtrans-67.5-36175.8-75.6102.4000112.6R29 P30 A33 C36 A42 W45 R46 I49 E83 K84 G85 R90 I91R29-W87 HydrophobicContact CG-CZ2 3.82Å; P30-W87 HydrophobicContact CG-CH2 4.32Å; A33-W87 HydrophobicContact CB-CD2 3.88Å; A33-W87 HydrophobicContact CB-CE3 4.04Å; A33-W87 HydrophobicContact CB-CG 4.31Å; A33-W87 HydrophobicContact CB-CH2 4.45Å; A33-W87 HydrophobicContact CB-CZ2 4.31Å; A33-W87 HydrophobicContact CB-CZ3 4.32Å; C36-W87 HydrophobicContact CB-CH2 3.82Å; C36-W87 HydrophobicContact CB-CZ3 3.57Å; A42-W87 HydrophobicContact CB-CE3 3.99Å; A42-W87 HydrophobicContact CB-CZ3 4.05Å; W45-W87 HydrophobicContact CB-CD2 4.08Å; W45-W87 HydrophobicContact CB-CE3 4.15Å; W45-W87 HydrophobicContact CB-CH2 4.21Å; W45-W87 HydrophobicContact CB-CZ2 4.13Å; W45-W87 HydrophobicContact CB-CZ3 4.21Å; W45-W87 AromaticContact CD1-CH2 3.41Å; W45-W87 VanDerWaalsContact CD1-CH2 3.41Å; W45-W87 AromaticContact CD1-CZ3 3.61Å; W45-W87 HydrophobicContact CG-CH2 4.02Å; W45-W87 HydrophobicContact CG-CZ2 4.2Å; W45-W87 HydrophobicContact CG-CZ3 4.27Å; R46-W87 HydrophobicContact CB-CB 4.49Å; I49-W87 HydrophobicContact CD1-CG 4.05Å; E83-W87 PolarHBondContact O-N 3.17Å; K84-W87 PolarHBondContact O-N 3.44Å; G85-W87 PolarHBondContact O-N 3.35Å; W87-R90 PolarHBondContact O-N 3.24Å; W87-I91 WeakPolarHBondContact O-CB 3.27Å; W87-I91 WeakPolarHBondContact O-CD1 3.45Å; W87-I91 WeakPolarHBondContact O-CG1 3.49Å; W87-I91 PolarHBondContact O-N 3.46Å
88E93.3Very high92.7Very high18 Ų1854.4 Ų54.48%0.08429%0.287CS..Hα-helixtrans-66.6-41.3175.5-73179.5154.700112.2R46 K84 G85 I91 K92R46-E88 HydrophobicContact CG-CG 4.41Å; R46-E88 IonicContact CZ-OE1 3.29Å; R46-E88 IonicContact NE-OE1 3.75Å; R46-E88 PolarHBondContact NE-OE1 3.5Å; R46-E88 IonicContact NH2-OE1 2.59Å; R46-E88 PolarHBondContact NH2-OE1 2.88Å; K84-E88 WeakPolarHBondContact CE-OE1 3.47Å; K84-E88 HydrophobicContact CG-CG 4.33Å; K84-E88 IonicContact NZ-OE1 2.63Å; K84-E88 PolarHBondContact NZ-OE1 3.26Å; K84-E88 IonicContact NZ-OE2 3.23Å; K84-E88 PolarHBondContact NZ-OE2 3.27Å; K84-E88 WeakPolarHBondContact O-CG 3.27Å; K84-E88 PolarHBondContact O-N 2.83Å; G85-E88 PolarHBondContact O-N 3.25Å; E88-I91 PolarHBondContact O-N 3.33Å; E88-K92 PolarHBondContact O-N 2.99Å; E88-K92 VanDerWaalsContact O-N 3.12Å
89V93.8Very high92.4Very high80 Ų8056.6 Ų56.649%0.48530%0.295SS..Hα-helixtrans-62.6-45.3172.4173.60000110.3G85 H86 I91 K92 E93G85-V89 WeakPolarHBondContact O-CG2 3.47Å; G85-V89 PolarHBondContact O-N 3.32Å; H86-V89 PolarHBondContact O-N 3.15Å; V89-I91 PolarHBondContact O-N 3.18Å; V89-K92 WeakPolarHBondContact O-CB 3.22Å; V89-K92 PolarHBondContact O-N 3.23Å; V89-K92 VanDerWaalsContact O-N 3.13Å; V89-E93 HydrophobicContact CG1-CG 4.47Å; V89-E93 WeakPolarHBondContact O-CG 3.47Å; V89-E93 PolarHBondContact O-N 3.12Å
90R93.9Very high91.9Very high43 Ų4353.7 Ų53.716%0.16230%0.296CS..Hα-helixtrans-61.9-41.8178.6-177.659.1176165.10.5112.7A33 S34 C36 H86 W87 K92 E93 L94A33-R90 HydrophobicContact CB-CB 4.04Å; A33-R90 HydrophobicContact CB-CG 4.4Å; A33-R90 WeakPolarHBondContact O-CG 3.29Å; S34-R90 PolarHBondContact O-NH2 3.35Å; C36-R90 PolarHBondContact O-NE 3.48Å; C36-R90 PolarHBondContact O-NH2 2.88Å; H86-R90 WeakPolarHBondContact O-CB 3.46Å; H86-R90 PolarHBondContact O-N 3.16Å; W87-R90 PolarHBondContact O-N 3.24Å; R90-K92 VanDerWaalsContact C-N 3.27Å; R90-K92 PolarHBondContact O-N 3.45Å; R90-E93 WeakPolarHBondContact CD-OE2 3.43Å; R90-E93 IonicContact CZ-OE2 3.74Å; R90-E93 IonicContact NH1-OE2 2.86Å; R90-E93 PolarHBondContact NH1-OE2 3.21Å; R90-E93 WeakPolarHBondContact O-CB 3.32Å; R90-E93 PolarHBondContact O-N 2.84Å; R90-L94 HydrophobicContact CG-CD1 4.11Å; R90-L94 HydrophobicContact CG-CG 4.46Å; R90-L94 WeakPolarHBondContact O-CG 3.44Å; R90-L94 PolarHBondContact O-N 3.07Å
91I93.8Very high91.4Very high0 Ų061.7 Ų61.70%033%0.331CS..Hα-helixtrans-58.9-43.5175.6-74162.8000110.2L39 A42 E43 R46 W87 E88 V89 L94 G95 G96 Y99L39-I91 HydrophobicContact CD1-CB 4.46Å; L39-I91 HydrophobicContact CD1-CG2 3.85Å; A42-I91 HydrophobicContact CB-CD1 4.43Å; A42-I91 HydrophobicContact CB-CG1 3.66Å; E43-I91 HydrophobicContact CG-CD1 4.16Å; E43-I91 HydrophobicContact CG-CG1 4.46Å; R46-I91 HydrophobicContact CB-CD1 3.97Å; R46-I91 HydrophobicContact CG-CD1 4.42Å; W87-I91 WeakPolarHBondContact O-CB 3.27Å; W87-I91 WeakPolarHBondContact O-CD1 3.45Å; W87-I91 WeakPolarHBondContact O-CG1 3.49Å; W87-I91 PolarHBondContact O-N 3.46Å; E88-I91 PolarHBondContact O-N 3.33Å; V89-I91 PolarHBondContact O-N 3.18Å; I91-L94 PolarHBondContact O-N 3.38Å; I91-G95 PolarHBondContact O-N 3.24Å; I91-G96 VanDerWaalsContact O-CA 3.32Å; I91-G96 WeakPolarHBondContact O-CA 3.42Å; I91-G96 PolarHBondContact O-N 3.42Å; I91-Y99 HydrophobicContact CD1-CD2 4.11Å; I91-Y99 HydrophobicContact CD1-CE2 4.09Å; I91-Y99 HydrophobicContact CG2-CD2 4Å; I91-Y99 HydrophobicContact CG2-CE2 3.9Å
92K94.4Very high90.8Very high116 Ų11665.8 Ų65.850%0.50436%0.357SS..Hα-helixtrans-62.9-43.1176.2-179.8178.2-179.4165.30112.2E88 V89 R90 L94 G95 D98E88-K92 PolarHBondContact O-N 2.99Å; E88-K92 VanDerWaalsContact O-N 3.12Å; V89-K92 WeakPolarHBondContact O-CB 3.22Å; V89-K92 PolarHBondContact O-N 3.23Å; V89-K92 VanDerWaalsContact O-N 3.13Å; R90-K92 VanDerWaalsContact C-N 3.27Å; R90-K92 PolarHBondContact O-N 3.45Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 3.28Å; K92-G95 PolarHBondContact O-N 3.33Å; K92-G95 VanDerWaalsContact O-N 3.1Å; K92-D98 WeakPolarHBondContact CE-OD2 3.49Å; K92-D98 IonicContact NZ-OD2 2.66Å; K92-D98 PolarHBondContact NZ-OD2 3.01Å
93E93.7Very high89.8Confident122 Ų12260.2 Ų60.257%0.5734%0.34SS*.Hα-helixtrans-61.4-36.5175.4-70.9172-176.200112.7V89 R90 G95V89-E93 HydrophobicContact CG1-CG 4.47Å; V89-E93 WeakPolarHBondContact O-CG 3.47Å; V89-E93 PolarHBondContact O-N 3.12Å; R90-E93 WeakPolarHBondContact CD-OE2 3.43Å; R90-E93 IonicContact CZ-OE2 3.74Å; R90-E93 IonicContact NH1-OE2 2.86Å; R90-E93 PolarHBondContact NH1-OE2 3.21Å; R90-E93 WeakPolarHBondContact O-CB 3.32Å; R90-E93 PolarHBondContact O-N 2.84Å; E93-G95 PolarHBondContact O-N 3.38Å
94L93.3Very high88.6Confident49 Ų4963.5 Ų63.526%0.25737%0.365SS..THydrogen-bonded Turntrans-76.86.6176.5-66.5175.3000113.3T37 L39 A42 R90 I91 K92T37-L94 WeakPolarHBondContact O-CD2 3.46Å; L39-L94 HydrophobicContact CB-CB 4.44Å; L39-L94 HydrophobicContact CD1-CB 4.23Å; A42-L94 HydrophobicContact CB-CD1 4.29Å; R90-L94 HydrophobicContact CG-CD1 4.11Å; R90-L94 HydrophobicContact CG-CG 4.46Å; R90-L94 WeakPolarHBondContact O-CG 3.44Å; R90-L94 PolarHBondContact O-N 3.07Å; I91-L94 PolarHBondContact O-N 3.38Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 3.28Å
95G92.1Very high87.4Confident68 Ų6867.7 Ų67.770%0.70138%0.383SS*.THydrogen-bonded Turntrans82.915.1179.800000114.6I91 K92 E93I91-G95 PolarHBondContact O-N 3.24Å; K92-G95 PolarHBondContact O-N 3.33Å; K92-G95 VanDerWaalsContact O-N 3.1Å; E93-G95 PolarHBondContact O-N 3.38Å
96G91.9Very high85.6Confident16 Ų1673.5 Ų73.517%0.16541%0.405CS..  trans-84.1178.4176.500000114.5I91I91-G96 VanDerWaalsContact O-CA 3.32Å; I91-G96 WeakPolarHBondContact O-CA 3.42Å; I91-G96 PolarHBondContact O-N 3.42Å
97P90Very high83.9Confident65 Ų6569.2 Ų69.242%0.42239%0.386SS..  trans-63.1142.6179.5-21.533.3000113.3Y99P97-Y99 HydrophobicContact CB-CE2 4.41Å; P97-Y99 WeakPolarHBondContact O-CD2 3.05Å; P97-Y99 PolarHBondContact O-N 2.77Å
98D89.9Confident82.3Confident51 Ų5172.1 Ų72.127%0.27340%0.402SS..  trans-76.686173.3-167.5-27.7000110.8K92 G100 K101 V102K92-D98 WeakPolarHBondContact CE-OD2 3.49Å; K92-D98 IonicContact NZ-OD2 2.66Å; K92-D98 PolarHBondContact NZ-OD2 3.01Å; D98-G100 PolarHBondContact O-N 3.24Å; D98-G100 PolarHBondContact OD1-N 2.83Å; D98-G100 VanDerWaalsContact OD1-N 3.14Å; D98-K101 HydrophobicContact CB-CB 4.49Å; D98-K101 PolarHBondContact O-N 3.1Å; D98-K101 PolarHBondContact OD1-N 3.44Å; D98-V102 WeakPolarHBondContact O-CB 3.42Å; D98-V102 WeakPolarHBondContact O-CG2 3.34Å; D98-V102 PolarHBondContact O-N 3.42Å
99Y86.4Confident80.7Confident49 Ų4978.7 Ų78.719%0.19243%0.432CS..Hα-helixtrans-67.7-19.9178.6-73.3-63.7000114.4E43 R46 I91 P97 K101 G103E43-Y99 HydrophobicContact CG-CE2 4.41Å; R46-Y99 VanDerWaalsContact CZ-CD1 3.47Å; I91-Y99 HydrophobicContact CD1-CD2 4.11Å; I91-Y99 HydrophobicContact CD1-CE2 4.09Å; I91-Y99 HydrophobicContact CG2-CD2 4Å; I91-Y99 HydrophobicContact CG2-CE2 3.9Å; P97-Y99 HydrophobicContact CB-CE2 4.41Å; P97-Y99 WeakPolarHBondContact O-CD2 3.05Å; P97-Y99 PolarHBondContact O-N 2.77Å; Y99-K101 VanDerWaalsContact C-N 3.32Å; Y99-G103 WeakPolarHBondContact O-CA 3.39Å; Y99-G103 PolarHBondContact O-N 3.11Å
100G82.5Confident79.4Confident49 Ų4978.7 Ų78.751%0.50543%0.427SS..Hα-helixtrans-68.4-36174.700000111.6D98D98-G100 PolarHBondContact O-N 3.24Å; D98-G100 PolarHBondContact OD1-N 2.83Å; D98-G100 VanDerWaalsContact OD1-N 3.14Å
101K84.3Confident78.4Confident177 Ų17777.1 Ų77.177%0.7742%0.424SS*.Hα-helixtrans-90.1-41.4178.5-171.5173.9-179-179.40113.4D98 Y99D98-K101 HydrophobicContact CB-CB 4.49Å; D98-K101 PolarHBondContact O-N 3.1Å; D98-K101 PolarHBondContact OD1-N 3.44Å; Y99-K101 VanDerWaalsContact C-N 3.32Å
102V77.7Confident77.7Confident116 Ų11680.9 Ų80.970%0.70344%0.441SS*.Hα-helixtrans-97.7-20.2-170.6-177.20000112.3D98D98-V102 WeakPolarHBondContact O-CB 3.42Å; D98-V102 WeakPolarHBondContact O-CG2 3.34Å; D98-V102 PolarHBondContact O-N 3.42Å
103G70.1Confident77Confident13 Ų1379.5 Ų79.513%0.13444%0.436CS..SBendtrans-66.9146.2-174.300000113.3Y99 K105Y99-G103 WeakPolarHBondContact O-CA 3.39Å; Y99-G103 PolarHBondContact O-N 3.11Å; G103-K105 PolarHBondContact O-N 3.29Å; G103-K105 VanDerWaalsContact O-N 3.14Å
104P67Low75.8Confident109 Ų10974.3 Ų74.371%0.70841%0.412SS*.  trans-57.9119.1171.5-2131.3000110.4M106P104-M106 HydrophobicContact CB-CG 3.57Å; P104-M106 PolarHBondContact O-N 2.97Å
105K68.6Low74.5Confident129 Ų12976.6 Ų76.656%0.56143%0.43SS*.  trans-74.624.2174.5-67.3-179.8-178.4175.10112.9G103 L107 D108 H109G103-K105 PolarHBondContact O-N 3.29Å; G103-K105 VanDerWaalsContact O-N 3.14Å; K105-L107 PolarHBondContact O-N 3.42Å; K105-D108 HydrophobicContact CB-CB 4.24Å; K105-D108 WeakPolarHBondContact O-CB 3.47Å; K105-D108 PolarHBondContact O-N 3.12Å; K105-H109 PolarHBondContact O-CD2 2.89Å; K105-H109 VanDerWaalsContact O-CD2 3.26Å
106M53.6Low73.2Confident147 Ų14777 Ų7772%0.72443%0.434SS*.THydrogen-bonded Turntrans-52.4-32.3-173.4-64.8-104-78.900112.5P104P104-M106 HydrophobicContact CB-CG 3.57Å; P104-M106 PolarHBondContact O-N 2.97Å
107L57.1Low72Confident32 Ų3281.3 Ų81.317%0.16845%0.453CS..THydrogen-bonded Turntrans-80.9-23.4179.7-16668.5000113.7I53 V57 L81 K105 H109 E110 G111 F123I53-L107 HydrophobicContact CB-CD2 4.46Å; I53-L107 HydrophobicContact CD1-CD2 4.03Å; I53-L107 HydrophobicContact CG2-CD1 3.54Å; I53-L107 HydrophobicContact CG2-CD2 3.57Å; I53-L107 HydrophobicContact CG2-CG 4.17Å; V57-L107 HydrophobicContact CG2-CD1 3.98Å; L81-L107 HydrophobicContact CD1-CD2 4.33Å; L81-L107 HydrophobicContact CD2-CD2 3.37Å; L81-L107 HydrophobicContact CG-CD2 4.07Å; K105-L107 PolarHBondContact O-N 3.42Å; L107-H109 VanDerWaalsContact C-N 3.31Å; L107-E110 PolarHBondContact O-N 3.17Å; L107-G111 PolarHBondContact O-N 3.13Å; L107-F123 HydrophobicContact CG-CE1 4.33Å
108D61.4Low70.8Confident65 Ų6589.9 Ų89.935%0.34848%0.477SS..THydrogen-bonded Turntrans-76.1-21.1179.2-62.8-33.1000112.2K105 E110 K121K105-D108 HydrophobicContact CB-CB 4.24Å; K105-D108 WeakPolarHBondContact O-CB 3.47Å; K105-D108 PolarHBondContact O-N 3.12Å; D108-E110 VanDerWaalsContact C-N 3.32Å; D108-K121 IonicContact OD1-NZ 3.19Å; D108-K121 PolarHBondContact OD1-NZ 3.12Å
109H59.6Low70.1Confident157 Ų15789.8 Ų89.873%0.72749%0.488SS*.THydrogen-bonded Turntrans-71.7-28.6175.7-66.7-71.9000112.3K105 L107K105-H109 PolarHBondContact O-CD2 2.89Å; K105-H109 VanDerWaalsContact O-CD2 3.26Å; L107-H109 VanDerWaalsContact C-N 3.31Å
110E65.6Low70.1Confident79 Ų7990.2 Ų90.237%0.36949%0.49SS..THydrogen-bonded Turntrans-88.8-25179.1-66.1-178.6140.500112.8V57 L107 D108 F123 K127V57-E110 WeakPolarHBondContact CG1-OE2 3.12Å; L107-E110 PolarHBondContact O-N 3.17Å; D108-E110 VanDerWaalsContact C-N 3.32Å; E110-F123 HydrophobicContact CB-CD1 4.39Å; E110-K127 WeakPolarHBondContact O-CE 3.46Å; E110-K127 PolarHBondContact O-NZ 2.9Å
111G73.6Confident70.4Confident10 Ų1089.5 Ų89.510%0.10347%0.473CS..EExtended strand (participates in β ladder)trans-91.7124.3177.100000112.3L107 Y122 F123L107-G111 PolarHBondContact O-N 3.13Å; G111-Y122 WeakPolarHBondContact CA-O 3.4Å; G111-F123 VanDerWaalsContact CA-CE1 3.4Å
112K79.3Confident70.6Confident80 Ų8083 Ų8335%0.34844%0.444SS..EExtended strand (participates in β ladder)trans-101.1134.4171.3-158177.9170.7-169.60108.7Y122 K127 F136K112-Y122 PolarHBondContact N-O 3.29Å; K112-Y122 PolarHBondContact O-N 3.14Å; K112-K127 HydrophobicContact CB-CD 4.15Å; K112-F136 HydrophobicContact CB-CD1 4.24Å; K112-F136 HydrophobicContact CB-CE1 3.64Å; K112-F136 HydrophobicContact CB-CZ 3.84Å; K112-F136 HydrophobicContact CD-CB 4.47Å; K112-F136 HydrophobicContact CD-CD1 3.35Å; K112-F136 HydrophobicContact CD-CE1 3.63Å; K112-F136 HydrophobicContact CD-CG 3.97Å; K112-F136 HydrophobicContact CD-CZ 4.46Å; K112-F136 VanDerWaalsContact CE-CD1 3.44Å; K112-F136 HydrophobicContact CG-CD1 3.7Å; K112-F136 HydrophobicContact CG-CE1 3.4Å; K112-F136 HydrophobicContact CG-CZ 4.14Å; K112-F136 PolarHBondContact NZ-O 3.35Å; K112-F136 VanDerWaalsContact O-CZ 3.28Å; K112-F136 WeakPolarHBondContact O-CZ 3.49Å
113E79.6Confident71.1Confident86 Ų8677.5 Ų77.540%0.40241%0.41SS..EExtended strand (participates in β ladder)trans-95.9134174.1-67.1-175-17300109.7K121 F136E113-K121 HydrophobicContact CG-CD 4.35Å; E113-K121 HydrophobicContact CG-CG 3.49Å; E113-K121 VanDerWaalsContact CG-CG 3.49Å; E113-K121 WeakPolarHBondContact OE1-CE 3.35Å; E113-K121 IonicContact OE1-NZ 3.27Å; E113-F136 VanDerWaalsContact C-CE1 3.48Å; E113-F136 WeakPolarHBondContact O-CE1 3.5Å
114V69.2Low72Confident13 Ų1377.5 Ų77.58%0.07941%0.41CS..PPolyproline II helixtrans-67130.4175.71740000108.6G116 N117 Y122 L135 F136V114-G116 PolarHBondContact O-N 2.96Å; V114-G116 VanDerWaalsContact O-N 3.11Å; V114-N117 PolarHBondContact O-N 3.02Å; V114-N117 VanDerWaalsContact O-N 3.12Å; V114-Y122 HydrophobicContact CG2-CD2 4.06Å; V114-Y122 HydrophobicContact CG2-CE2 3.68Å; V114-L135 HydrophobicContact CG1-CB 3.96Å; V114-L135 HydrophobicContact CG1-CD1 4.27Å; V114-L135 HydrophobicContact CG2-CB 4.16Å; V114-L135 HydrophobicContact CG2-CD1 4.33Å; V114-F136 HydrophobicContact CB-CE1 4.43Å; V114-F136 HydrophobicContact CB-CZ 4.48Å; V114-F136 HydrophobicContact CG2-CD1 4.5Å; V114-F136 HydrophobicContact CG2-CE1 3.82Å; V114-F136 HydrophobicContact CG2-CE2 3.95Å; V114-F136 HydrophobicContact CG2-CZ 3.5Å; V114-F136 VanDerWaalsContact CG2-CZ 3.5Å
115P64.8Low73Confident98 Ų9872.8 Ų72.864%0.63638%0.38SS*.THydrogen-bonded Turntrans-52.7118.9173.9-26.135000111.2
116G65.6Low74.1Confident75 Ų7566.6 Ų66.677%0.77335%0.353SS*.THydrogen-bonded Turntrans105.7-29.418000000115.2V114V114-G116 PolarHBondContact O-N 2.96Å; V114-G116 VanDerWaalsContact O-N 3.11Å
117N66.1Low75.7Confident108 Ų10862 Ų6258%0.57833%0.329SS*.  trans-99.693.3177.3-77.5-15.3000110.6V114 G119V114-N117 PolarHBondContact O-N 3.02Å; V114-N117 VanDerWaalsContact O-N 3.12Å; N117-G119 PolarHBondContact O-N 2.92Å
118R64.6Low77.2Confident245 Ų24565.5 Ų65.593%0.92535%0.348SS*.THydrogen-bonded Turntrans-75.4115.4-179.8-70.7178.5175.3170.7-0.6110.6
119G74.9Confident78.4Confident48 Ų4862.8 Ų62.850%0.49533%0.334SS..THydrogen-bonded Turntrans109.6-0.6165.900000117.1N117N117-G119 PolarHBondContact O-N 2.92Å
120Y86.9Confident79.7Confident59 Ų5959.5 Ų59.523%0.23133%0.326CS..  trans-110.3124169.4-167.9-81.3000110N74 D75 N78 Y122N74-Y120 WeakPolarHBondContact ND2-CE1 3.27Å; N74-Y120 PolarHBondContact ND2-OH 3.24Å; D75-Y120 VanDerWaalsContact OD1-CE2 3.27Å; D75-Y120 WeakPolarHBondContact OD1-CE2 3.48Å; D75-Y120 VanDerWaalsContact OD1-CZ 3.28Å; D75-Y120 PolarHBondContact OD1-OH 3.2Å; N78-Y120 HydrophobicContact CB-CD2 4.25Å; N78-Y120 HydrophobicContact CB-CE2 4.11Å; Y120-Y122 HydrophobicContact CD1-CD2 4.04Å; Y120-Y122 HydrophobicContact CD1-CE1 4.28Å; Y120-Y122 AromaticContact CD1-CE2 3.58Å; Y120-Y122 HydrophobicContact CD1-CE2 3.58Å; Y120-Y122 AromaticContact CD1-CZ 3.73Å; Y120-Y122 HydrophobicContact CE1-CD1 4.01Å; Y120-Y122 HydrophobicContact CE1-CD2 4.16Å; Y120-Y122 AromaticContact CE1-CE1 3.58Å; Y120-Y122 HydrophobicContact CE1-CE1 3.58Å; Y120-Y122 AromaticContact CE1-CE2 3.75Å; Y120-Y122 HydrophobicContact CE1-CE2 3.75Å; Y120-Y122 HydrophobicContact CE1-CG 4.3Å; Y120-Y122 AromaticContact CE1-CZ 3.45Å; Y120-Y122 VanDerWaalsContact CE1-CZ 3.45Å
121K88.5Confident80.5Confident33 Ų3357.4 Ų57.414%0.14333%0.325CS..EExtended strand (participates in β ladder)trans-111.3143.3-175.8-73.3173.7-176.6172.90110.6N74 N78 L81 D108 E113 F123N74-K121 PolarHBondContact ND2-O 3.33Å; N74-K121 VanDerWaalsContact ND2-O 3.07Å; N74-K121 PolarHBondContact OD1-O 3.01Å; N78-K121 PolarHBondContact ND2-O 3.22Å; N78-K121 PolarHBondContact OD1-N 3.41Å; N78-K121 PolarHBondContact OD1-O 3.41Å; L81-K121 HydrophobicContact CD1-CD 4.35Å; D108-K121 IonicContact OD1-NZ 3.19Å; D108-K121 PolarHBondContact OD1-NZ 3.12Å; E113-K121 HydrophobicContact CG-CD 4.35Å; E113-K121 HydrophobicContact CG-CG 3.49Å; E113-K121 VanDerWaalsContact CG-CG 3.49Å; E113-K121 WeakPolarHBondContact OE1-CE 3.35Å; E113-K121 IonicContact OE1-NZ 3.27Å; K121-F123 HydrophobicContact CB-CD2 4.44Å; K121-F123 HydrophobicContact CB-CE1 4.35Å; K121-F123 HydrophobicContact CB-CE2 3.51Å; K121-F123 HydrophobicContact CB-CZ 3.43Å; K121-F123 VanDerWaalsContact CB-CZ 3.43Å; K121-F123 HydrophobicContact CD-CZ 3.94Å; K121-F123 HydrophobicContact CG-CZ 4.29Å
122Y89.6Confident81.1Confident42 Ų4257.7 Ų57.717%0.16533%0.325CS..EExtended strand (participates in β ladder)trans-107.4126.9170.3-64.5-92.7000109.3N74 G111 K112 V114 Y120 A126 K127 V132 F136N74-Y122 WeakPolarHBondContact ND2-CD1 3.44Å; N74-Y122 WeakPolarHBondContact OD1-CA 3.22Å; G111-Y122 WeakPolarHBondContact CA-O 3.4Å; K112-Y122 PolarHBondContact N-O 3.29Å; K112-Y122 PolarHBondContact O-N 3.14Å; V114-Y122 HydrophobicContact CG2-CD2 4.06Å; V114-Y122 HydrophobicContact CG2-CE2 3.68Å; Y120-Y122 HydrophobicContact CD1-CD2 4.04Å; Y120-Y122 HydrophobicContact CD1-CE1 4.28Å; Y120-Y122 AromaticContact CD1-CE2 3.58Å; Y120-Y122 HydrophobicContact CD1-CE2 3.58Å; Y120-Y122 AromaticContact CD1-CZ 3.73Å; Y120-Y122 HydrophobicContact CE1-CD1 4.01Å; Y120-Y122 HydrophobicContact CE1-CD2 4.16Å; Y120-Y122 AromaticContact CE1-CE1 3.58Å; Y120-Y122 HydrophobicContact CE1-CE1 3.58Å; Y120-Y122 AromaticContact CE1-CE2 3.75Å; Y120-Y122 HydrophobicContact CE1-CE2 3.75Å; Y120-Y122 HydrophobicContact CE1-CG 4.3Å; Y120-Y122 AromaticContact CE1-CZ 3.45Å; Y120-Y122 VanDerWaalsContact CE1-CZ 3.45Å; Y122-A126 HydrophobicContact CD1-CB 4.4Å; Y122-K127 WeakPolarHBondContact O-CE 3.32Å; Y122-K127 WeakPolarHBondContact O-CG 2.77Å; Y122-V132 HydrophobicContact CD1-CB 4.44Å; Y122-V132 HydrophobicContact CD1-CG1 3.54Å; Y122-V132 HydrophobicContact CD1-CG2 4.09Å; Y122-V132 HydrophobicContact CD2-CG1 3.98Å; Y122-V132 HydrophobicContact CE1-CB 4.23Å; Y122-V132 HydrophobicContact CE1-CG1 3.66Å; Y122-V132 HydrophobicContact CE1-CG2 3.46Å; Y122-V132 VanDerWaalsContact CE1-CG2 3.46Å; Y122-V132 HydrophobicContact CE2-CG1 4.08Å; Y122-V132 HydrophobicContact CG-CG1 3.69Å; Y122-F136 AromaticContact CD2-CE2 3.66Å; Y122-F136 HydrophobicContact CD2-CE2 3.66Å; Y122-F136 AromaticContact CD2-CZ 3.66Å; Y122-F136 HydrophobicContact CD2-CZ 3.66Å; Y122-F136 HydrophobicContact CE2-CE2 4.44Å; Y122-F136 HydrophobicContact CE2-CZ 4.48Å; Y122-F136 AromaticContact CG-CE2 3.9Å; Y122-F136 HydrophobicContact CG-CE2 3.9Å; Y122-F136 HydrophobicContact CG-CZ 4.25Å
123F88.4Confident81.4Confident0 Ų060.5 Ų60.50%033%0.334CS..EExtended strand (participates in β ladder)trans-107.8144.8-176.6-60.8-85.1000111.4V57 I60 N74 I77 L81 L107 E110 G111 K121 A125 A126V57-F123 HydrophobicContact CG2-CD1 4.49Å; I60-F123 WeakPolarHBondContact CG2-O 3.42Å; N74-F123 WeakPolarHBondContact OD1-CD2 3.4Å; N74-F123 PolarHBondContact OD1-N 2.94Å; N74-F123 VanDerWaalsContact OD1-N 3.13Å; I77-F123 HydrophobicContact CB-CD2 4.22Å; I77-F123 HydrophobicContact CB-CE2 4.3Å; I77-F123 HydrophobicContact CD1-CD2 4.31Å; I77-F123 HydrophobicContact CG2-CD2 3.57Å; I77-F123 HydrophobicContact CG2-CE2 3.36Å; I77-F123 HydrophobicContact CG2-CG 4.29Å; I77-F123 HydrophobicContact CG2-CZ 3.91Å; L81-F123 HydrophobicContact CD1-CE1 4.38Å; L81-F123 HydrophobicContact CD1-CE2 3.88Å; L81-F123 HydrophobicContact CD1-CZ 3.37Å; L107-F123 HydrophobicContact CG-CE1 4.33Å; E110-F123 HydrophobicContact CB-CD1 4.39Å; G111-F123 VanDerWaalsContact CA-CE1 3.4Å; K121-F123 HydrophobicContact CB-CD2 4.44Å; K121-F123 HydrophobicContact CB-CE1 4.35Å; K121-F123 HydrophobicContact CB-CE2 3.51Å; K121-F123 HydrophobicContact CB-CZ 3.43Å; K121-F123 VanDerWaalsContact CB-CZ 3.43Å; K121-F123 HydrophobicContact CD-CZ 3.94Å; K121-F123 HydrophobicContact CG-CZ 4.29Å; F123-A125 PolarHBondContact O-N 3.48Å; F123-A126 WeakPolarHBondContact O-CA 3.33Å; F123-A126 WeakPolarHBondContact O-CB 3.37Å; F123-A126 PolarHBondContact O-N 2.93Å
124G88.3Confident81.7Confident12 Ų1263.4 Ų63.412%0.12435%0.347CS..G310 helixtrans45.7-129.517300000113.8A126 K127G124-A126 PolarHBondContact O-N 2.98Å; G124-A126 VanDerWaalsContact O-N 3.12Å; G124-K127 WeakPolarHBondContact O-CB 3.38Å; G124-K127 WeakPolarHBondContact O-CG 3.41Å; G124-K127 PolarHBondContact O-N 3.14Å; G124-K127 VanDerWaalsContact O-N 3.12Å
125A88.9Confident82.3Confident10 Ų1067.6 Ų67.68%0.08337%0.369CS..G310 helixtrans-62.3-15.6179.100000114.4I60 A63 I70 F123 K127 D128I60-A125 HydrophobicContact CG2-CB 4.49Å; I60-A125 WeakPolarHBondContact O-CB 3.45Å; A63-A125 HydrophobicContact CB-CB 4.25Å; I70-A125 HydrophobicContact CD1-CB 3.95Å; F123-A125 PolarHBondContact O-N 3.48Å; A125-K127 PolarHBondContact O-N 3.26Å; A125-D128 PolarHBondContact O-N 3.49Å; A125-D128 VanDerWaalsContact O-N 3.11Å
126A89.9Confident83Confident0 Ų063.8 Ų63.80%034%0.342CS..G310 helixtrans-65.7-18.9174.400000112.7I60 I70 N74 Y122 F123 G124 D128 L129I60-A126 HydrophobicContact CG2-CB 4.28Å; I70-A126 VanDerWaalsContact CG2-CA 3.47Å; I70-A126 HydrophobicContact CG2-CB 3.64Å; N74-A126 HydrophobicContact CB-CB 3.91Å; Y122-A126 HydrophobicContact CD1-CB 4.4Å; F123-A126 WeakPolarHBondContact O-CA 3.33Å; F123-A126 WeakPolarHBondContact O-CB 3.37Å; F123-A126 PolarHBondContact O-N 2.93Å; G124-A126 PolarHBondContact O-N 2.98Å; G124-A126 VanDerWaalsContact O-N 3.12Å; A126-D128 VanDerWaalsContact C-N 3.35Å; A126-L129 HydrophobicContact CB-CD1 4.32Å; A126-L129 WeakPolarHBondContact O-CG 3.49Å
127K88.6Confident83.5Confident51 Ų5166.2 Ų66.222%0.22233%0.334CS..G310 helixtrans-74.4-27.3173.9-62.1177-174.5175.50112.7E110 K112 Y122 G124 A125 L129 R133 F136E110-K127 WeakPolarHBondContact O-CE 3.46Å; E110-K127 PolarHBondContact O-NZ 2.9Å; K112-K127 HydrophobicContact CB-CD 4.15Å; Y122-K127 WeakPolarHBondContact O-CE 3.32Å; Y122-K127 WeakPolarHBondContact O-CG 2.77Å; G124-K127 WeakPolarHBondContact O-CB 3.38Å; G124-K127 WeakPolarHBondContact O-CG 3.41Å; G124-K127 PolarHBondContact O-N 3.14Å; G124-K127 VanDerWaalsContact O-N 3.12Å; A125-K127 PolarHBondContact O-N 3.26Å; K127-L129 VanDerWaalsContact C-N 3.3Å; K127-R133 WeakPolarHBondContact O-CA 3.34Å; K127-R133 PolarHBondContact O-N 2.95Å; K127-F136 HydrophobicContact CB-CD2 4.47Å; K127-F136 HydrophobicContact CG-CE2 4.44Å
128D87.5Confident83.7Confident104 Ų10468.7 Ų68.756%0.55634%0.339SS*.SBendtrans-90.62.1-176.3-58.8-45.9000112.4A125 A126A125-D128 PolarHBondContact O-N 3.49Å; A125-D128 VanDerWaalsContact O-N 3.11Å; A126-D128 VanDerWaalsContact C-N 3.35Å
129L87.4Confident83.9Confident9 Ų965.4 Ų65.45%0.04733%0.334CS..SBendtrans-60.5138.4176.4-69.1177.3000110.9E67 I70 R71 A126 K127 G131 V132 R133E67-L129 HydrophobicContact CB-CD2 4.02Å; E67-L129 HydrophobicContact CG-CD2 3.67Å; I70-L129 HydrophobicContact CB-CD2 4.4Å; I70-L129 HydrophobicContact CG2-CD1 4.11Å; I70-L129 HydrophobicContact CG2-CD2 4.2Å; I70-L129 HydrophobicContact CG2-CG 4.29Å; R71-L129 HydrophobicContact CG-CD1 3.5Å; A126-L129 HydrophobicContact CB-CD1 4.32Å; A126-L129 WeakPolarHBondContact O-CG 3.49Å; K127-L129 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 2.88Å; L129-V132 HydrophobicContact CB-CB 4.18Å; L129-V132 HydrophobicContact CB-CG2 4.2Å; L129-V132 PolarHBondContact O-N 3.45Å; L129-R133 PolarHBondContact O-N 3.37Å
130P86.4Confident83.7Confident87 Ų8768.9 Ų68.957%0.56535%0.348SS*.THydrogen-bonded Turntrans-48.4132170.6-26.833000111.8E67 V132E67-P130 WeakPolarHBondContact OE1-CD 3.42Å; P130-V132 PolarHBondContact O-N 2.9Å
131G83.6Confident83Confident35 Ų3573.8 Ų73.836%0.36138%0.377SS..THydrogen-bonded Turntrans81.1-32.1-175.400000115.6L129 L135L129-G131 PolarHBondContact O-N 2.88Å; G131-L135 WeakPolarHBondContact O-CG 3.18Å
132V84.4Confident82.5Confident17 Ų1777.2 Ų77.210%0.10340%0.403CS..Hα-helixtrans-80.5-39.4173.4176.60000110.7Y122 L129 P130 E134 L135 F136Y122-V132 HydrophobicContact CD1-CB 4.44Å; Y122-V132 HydrophobicContact CD1-CG1 3.54Å; Y122-V132 HydrophobicContact CD1-CG2 4.09Å; Y122-V132 HydrophobicContact CD2-CG1 3.98Å; Y122-V132 HydrophobicContact CE1-CB 4.23Å; Y122-V132 HydrophobicContact CE1-CG1 3.66Å; Y122-V132 HydrophobicContact CE1-CG2 3.46Å; Y122-V132 VanDerWaalsContact CE1-CG2 3.46Å; Y122-V132 HydrophobicContact CE2-CG1 4.08Å; Y122-V132 HydrophobicContact CG-CG1 3.69Å; L129-V132 HydrophobicContact CB-CB 4.18Å; L129-V132 HydrophobicContact CB-CG2 4.2Å; L129-V132 PolarHBondContact O-N 3.45Å; P130-V132 PolarHBondContact O-N 2.9Å; V132-E134 VanDerWaalsContact C-N 3.31Å; V132-E134 PolarHBondContact O-N 3.48Å; V132-L135 WeakPolarHBondContact O-CB 3.32Å; V132-L135 PolarHBondContact O-N 2.96Å; V132-L135 VanDerWaalsContact O-N 3.16Å; V132-F136 HydrophobicContact CG1-CD2 3.7Å; V132-F136 HydrophobicContact CG1-CE2 3.45Å; V132-F136 VanDerWaalsContact CG1-CE2 3.45Å; V132-F136 VanDerWaalsContact O-CD2 3.25Å; V132-F136 WeakPolarHBondContact O-CD2 3.46Å; V132-F136 PolarHBondContact O-N 3.24Å
133R86.4Confident82.1Confident139 Ų13980.6 Ų80.653%0.52543%0.43SS..Hα-helixtrans-56.9-44.8176.9179.2175.7168.5161.9-0.8112K127 L129 L135 F136 E137K127-R133 WeakPolarHBondContact O-CA 3.34Å; K127-R133 PolarHBondContact O-N 2.95Å; L129-R133 PolarHBondContact O-N 3.37Å; R133-L135 VanDerWaalsContact C-N 3.28Å; R133-L135 PolarHBondContact O-N 2.86Å; R133-F136 CarbonylContact O-C 3.58Å; R133-F136 PolarHBondContact O-N 3.21Å; R133-E137 PolarHBondContact O-N 2.85Å
134E85.9Confident81.9Confident147 Ų14786.6 Ų86.669%0.68747%0.469SS*.Hα-helixtrans-61.3-36.6178.6-66172.1-164.500111.8V132 F136V132-E134 VanDerWaalsContact C-N 3.31Å; V132-E134 PolarHBondContact O-N 3.48Å; E134-F136 PolarHBondContact O-N 3.46Å
135L81.6Confident81.7Confident100 Ų10097.2 Ų97.252%0.52451%0.505SS..Hα-helixtrans-69.2-19.5175.7-64171.8000113.2V114 G131 V132 R133V114-L135 HydrophobicContact CG1-CB 3.96Å; V114-L135 HydrophobicContact CG1-CD1 4.27Å; V114-L135 HydrophobicContact CG2-CB 4.16Å; V114-L135 HydrophobicContact CG2-CD1 4.33Å; G131-L135 WeakPolarHBondContact O-CG 3.18Å; V132-L135 WeakPolarHBondContact O-CB 3.32Å; V132-L135 PolarHBondContact O-N 2.96Å; V132-L135 VanDerWaalsContact O-N 3.16Å; R133-L135 VanDerWaalsContact C-N 3.28Å; R133-L135 PolarHBondContact O-N 2.86Å
136F78.9Confident81.6Confident18 Ų18104.1 Ų104.18%0.07953%0.533CS..Hα-helixtrans-102.2-20.3-179.5-78.5-52.7000114.9K112 E113 V114 Y122 K127 V132 R133 E134 K138K112-F136 HydrophobicContact CB-CD1 4.24Å; K112-F136 HydrophobicContact CB-CE1 3.64Å; K112-F136 HydrophobicContact CB-CZ 3.84Å; K112-F136 HydrophobicContact CD-CB 4.47Å; K112-F136 HydrophobicContact CD-CD1 3.35Å; K112-F136 HydrophobicContact CD-CE1 3.63Å; K112-F136 HydrophobicContact CD-CG 3.97Å; K112-F136 HydrophobicContact CD-CZ 4.46Å; K112-F136 VanDerWaalsContact CE-CD1 3.44Å; K112-F136 HydrophobicContact CG-CD1 3.7Å; K112-F136 HydrophobicContact CG-CE1 3.4Å; K112-F136 HydrophobicContact CG-CZ 4.14Å; K112-F136 PolarHBondContact NZ-O 3.35Å; K112-F136 VanDerWaalsContact O-CZ 3.28Å; K112-F136 WeakPolarHBondContact O-CZ 3.49Å; E113-F136 VanDerWaalsContact C-CE1 3.48Å; E113-F136 WeakPolarHBondContact O-CE1 3.5Å; V114-F136 HydrophobicContact CB-CE1 4.43Å; V114-F136 HydrophobicContact CB-CZ 4.48Å; V114-F136 HydrophobicContact CG2-CD1 4.5Å; V114-F136 HydrophobicContact CG2-CE1 3.82Å; V114-F136 HydrophobicContact CG2-CE2 3.95Å; V114-F136 HydrophobicContact CG2-CZ 3.5Å; V114-F136 VanDerWaalsContact CG2-CZ 3.5Å; Y122-F136 AromaticContact CD2-CE2 3.66Å; Y122-F136 HydrophobicContact CD2-CE2 3.66Å; Y122-F136 AromaticContact CD2-CZ 3.66Å; Y122-F136 HydrophobicContact CD2-CZ 3.66Å; Y122-F136 HydrophobicContact CE2-CE2 4.44Å; Y122-F136 HydrophobicContact CE2-CZ 4.48Å; Y122-F136 AromaticContact CG-CE2 3.9Å; Y122-F136 HydrophobicContact CG-CE2 3.9Å; Y122-F136 HydrophobicContact CG-CZ 4.25Å; K127-F136 HydrophobicContact CB-CD2 4.47Å; K127-F136 HydrophobicContact CG-CE2 4.44Å; V132-F136 HydrophobicContact CG1-CD2 3.7Å; V132-F136 HydrophobicContact CG1-CE2 3.45Å; V132-F136 VanDerWaalsContact CG1-CE2 3.45Å; V132-F136 VanDerWaalsContact O-CD2 3.25Å; V132-F136 WeakPolarHBondContact O-CD2 3.46Å; V132-F136 PolarHBondContact O-N 3.24Å; R133-F136 CarbonylContact O-C 3.58Å; R133-F136 PolarHBondContact O-N 3.21Å; E134-F136 PolarHBondContact O-N 3.46Å; F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 2.75Å
137E77.5Confident81.5Confident127 Ų127107.4 Ų107.459%0.59355%0.554SS**  trans-70.192.1173.3-164.4156.1-15000107.3R133 E139R133-E137 PolarHBondContact O-N 2.85Å; E137-E139 PolarHBondContact O-N 2.84Å
138K69.4Low81.5Confident160 Ų160114.3 Ų114.370%0.69658%0.579SS**  trans-64.4137.4170.8-70.5-178176.5-177.70107.1F136F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 2.75Å
139E68.6Low81.6Confident176 Ų176112.9 Ų112.982%0.82258%0.581SS**  trans-45.5135.2166.8-72.2-177.7165.800108.9E137 L141E137-E139 PolarHBondContact O-N 2.84Å; E139-L141 PolarHBondContact O-N 2.99Å
140P71.2Confident81.7Confident121 Ų121117.3 Ų117.379%0.78660%0.601SS**PPolyproline II helixtrans-52.6132.4178.222.7-32.5000108.1
141L72.5Confident81.8Confident161 Ų161118 Ų11884%0.84360%0.6SS**PPolyproline II helixtrans-51.7134.3179.3-68.6172.5000108.2E139E139-L141 PolarHBondContact O-N 2.99Å
142P77.9Confident82Confident105 Ų105120.6 Ų120.668%0.68260%0.604SS**PPolyproline II helixtrans-54.1143.6176.523.3-32.9000108.5
143P80.4Confident82.2Confident113 Ų113128.9 Ų128.973%0.73464%0.638SS**PPolyproline II helixtrans-51.3137.3-17920.8-31.9000109.4R145P143-R145 PolarHBondContact O-N 3.29Å
144P83.9Confident82.1Confident126 Ų126126 Ų12682%0.81864%0.644SS**PPolyproline II helixtrans-54.6136.9-177.823.4-33.1000109.3K146P144-K146 PolarHBondContact O-N 3.39Å
145R84.5Confident82.3Confident235 Ų235121.5 Ų121.589%0.88762%0.624SS**PPolyproline II helixtrans-60.5137.1175-61.4-178.977.5-179.34.3107.9P143 T147P143-R145 PolarHBondContact O-N 3.29Å; R145-T147 PolarHBondContact O-N 3.3Å
146K86.5Confident82.5Confident155 Ų155120.2 Ų120.267%0.67462%0.618SS**PPolyproline II helixtrans-51.2130.6176.9-67.5-175.1179.5-1780109.7P144 E150 L151P144-K146 PolarHBondContact O-N 3.39Å; K146-E150 VanDerWaalsContact CA-OE2 3.27Å; K146-E150 WeakPolarHBondContact CA-OE2 3.39Å; K146-E150 HydrophobicContact CB-CB 4.37Å; K146-L151 HydrophobicContact CB-CG 4.34Å
147T89.3Confident82.8Confident70 Ų70124.8 Ų124.843%0.42964%0.638SS.*PPolyproline II helixtrans-69.5158.3177.961.80000110.3R145 A149 E150 L151R145-T147 PolarHBondContact O-N 3.3Å; T147-A149 PolarHBondContact O-N 3.01Å; T147-E150 PolarHBondContact N-OE2 3.36Å; T147-E150 WeakPolarHBondContact O-CB 3.19Å; T147-E150 PolarHBondContact O-N 3.02Å; T147-E150 VanDerWaalsContact O-N 3.07Å; T147-E150 WeakPolarHBondContact OG1-CG 3.42Å; T147-E150 PolarHBondContact OG1-N 3.14Å; T147-E150 PolarHBondContact OG1-OE1 3.45Å; T147-L151 PolarHBondContact O-N 3.33Å
148R88.3Confident83Confident196 Ų196124.4 Ų124.474%0.7464%0.636SS**Hα-helixtrans-55.1-37175-178.5177.6175.5133.10.6111.5L151 M152R148-L151 PolarHBondContact O-N 2.99Å; R148-M152 HydrophobicContact CG-CE 4.3Å; R148-M152 HydrophobicContact CG-CG 4.16Å; R148-M152 WeakPolarHBondContact O-CB 3.43Å; R148-M152 WeakPolarHBondContact O-CG 3.32Å; R148-M152 PolarHBondContact O-N 3.11Å
149A89.1Confident83.8Confident73 Ų73124.3 Ų124.360%0.60363%0.633SS**Hα-helixtrans-64.1-41.3177.100000112.4T147 M152 K153T147-A149 PolarHBondContact O-N 3.01Å; A149-M152 PolarHBondContact O-N 3.09Å; A149-K153 PolarHBondContact O-N 3.44Å
150E89.6Confident84.7Confident103 Ų103123.4 Ų123.448%0.48162%0.623SS.*Hα-helixtrans-66.8-36.7175.1-73.1156-137.500112.6K146 T147 K153K146-E150 VanDerWaalsContact CA-OE2 3.27Å; K146-E150 WeakPolarHBondContact CA-OE2 3.39Å; K146-E150 HydrophobicContact CB-CB 4.37Å; T147-E150 PolarHBondContact N-OE2 3.36Å; T147-E150 WeakPolarHBondContact O-CB 3.19Å; T147-E150 PolarHBondContact O-N 3.02Å; T147-E150 VanDerWaalsContact O-N 3.07Å; T147-E150 WeakPolarHBondContact OG1-CG 3.42Å; T147-E150 PolarHBondContact OG1-N 3.14Å; T147-E150 PolarHBondContact OG1-OE1 3.45Å; E150-K153 PolarHBondContact O-N 2.63Å
151L87.8Confident85.2Confident100 Ų100118.7 Ų118.752%0.52460%0.596SS.*Hα-helixtrans-65.8-44.7173.1-82.8159.7000111.4K146 T147 R148 K153 A154K146-L151 HydrophobicContact CB-CG 4.34Å; T147-L151 PolarHBondContact O-N 3.33Å; R148-L151 PolarHBondContact O-N 2.99Å; L151-K153 PolarHBondContact O-N 2.95Å; L151-A154 PolarHBondContact O-N 3.23Å; L151-A154 VanDerWaalsContact O-N 3.12Å
152M87.9Confident85.5Confident91 Ų91119.4 Ų119.445%0.44859%0.589SS.*Hα-helixtrans-66.3-25178.1-68.5-7616300112.6R148 A149 A154 I155R148-M152 HydrophobicContact CG-CE 4.3Å; R148-M152 HydrophobicContact CG-CG 4.16Å; R148-M152 WeakPolarHBondContact O-CB 3.43Å; R148-M152 WeakPolarHBondContact O-CG 3.32Å; R148-M152 PolarHBondContact O-N 3.11Å; A149-M152 PolarHBondContact O-N 3.09Å; M152-A154 VanDerWaalsContact C-N 3.26Å; M152-A154 PolarHBondContact O-N 3.43Å; M152-I155 HydrophobicContact CE-CD1 4.34Å; M152-I155 PolarHBondContact O-N 3.23Å; M152-I155 HydrophobicContact SD-CD1 3.7Å
153K89Confident85.6Confident190 Ų190118.2 Ų118.283%0.82658%0.576SS**Hα-helixtrans-69.4-24.6174.2-169.5177.1179.7-177.50113A149 E150 L151 I155A149-K153 PolarHBondContact O-N 3.44Å; E150-K153 PolarHBondContact O-N 2.63Å; L151-K153 PolarHBondContact O-N 2.95Å; K153-I155 VanDerWaalsContact C-N 3.29Å
154A85.4Confident85.4Confident78 Ų78117.3 Ų117.365%0.64557%0.565SS**THydrogen-bonded Turntrans-87.7-0.5175.400000112.7L151 M152L151-A154 PolarHBondContact O-N 3.23Å; L151-A154 VanDerWaalsContact O-N 3.12Å; M152-A154 VanDerWaalsContact C-N 3.26Å; M152-A154 PolarHBondContact O-N 3.43Å
155I90Very high84.9Confident53 Ų53119 Ų11927%0.27256%0.562SS.*  trans-93102.2172-64.3171.6000106.4M152 K153 Y159 Y160M152-I155 HydrophobicContact CE-CD1 4.34Å; M152-I155 PolarHBondContact O-N 3.23Å; M152-I155 HydrophobicContact SD-CD1 3.7Å; K153-I155 VanDerWaalsContact C-N 3.29Å; I155-Y159 HydrophobicContact CB-CD1 4.46Å; I155-Y159 HydrophobicContact CG2-CD1 3.36Å; I155-Y159 HydrophobicContact CG2-CE1 4.09Å; I155-Y159 HydrophobicContact CG2-CG 3.81Å; I155-Y160 HydrophobicContact CG2-CD2 4.35Å; I155-Y160 HydrophobicContact CG2-CE2 3.62Å
156D85.5Confident84.4Confident73 Ų73114 Ų11439%0.3955%0.553SS.*  trans-100.3-17717947.218.9000111.3E158 Y159D156-E158 PolarHBondContact O-N 3.1Å; D156-E158 WeakPolarHBondContact OD1-CB 3.09Å; D156-Y159 WeakPolarHBondContact O-CB 3.41Å; D156-Y159 PolarHBondContact O-N 2.92Å; D156-Y159 PolarHBondContact OD1-N 2.99Å; D156-Y159 VanDerWaalsContact OD1-N 3.16Å
157F84.6Confident83.9Confident114 Ų114111 Ų11150%0.554%0.544SS..THydrogen-bonded Turntrans-61.4-27.2175.657.5-93.1000111.9Y160 G161 Y162 L163F157-Y160 CarbonylContact O-C 3.6Å; F157-Y160 PolarHBondContact O-N 3.31Å; F157-G161 PolarHBondContact O-N 3.16Å; F157-Y162 HydrophobicContact CB-CD2 4.19Å; F157-Y162 PolarHBondContact O-N 2.96Å; F157-L163 HydrophobicContact CD2-CD1 3.85Å; F157-L163 HydrophobicContact CE2-CD1 3.62Å; F157-L163 HydrophobicContact CE2-CD2 4Å; F157-L163 HydrophobicContact CE2-CG 4.26Å
158E82.8Confident83.4Confident119 Ų119109.8 Ų109.856%0.55655%0.546SS*.G310 helixtrans-66.4-39.9177.3-168.2173.6169.500111.1D156 Y160 G161D156-E158 PolarHBondContact O-N 3.1Å; D156-E158 WeakPolarHBondContact OD1-CB 3.09Å; E158-Y160 PolarHBondContact O-N 3.31Å; E158-Y160 VanDerWaalsContact O-N 3.15Å; E158-G161 PolarHBondContact O-N 3.36Å
159Y86.4Confident83.3Confident159 Ų159104.2 Ų104.262%0.62453%0.533SS*.G310 helixtrans-57.7-28.9172.3179.4-100.8000114I155 D156I155-Y159 HydrophobicContact CB-CD1 4.46Å; I155-Y159 HydrophobicContact CG2-CD1 3.36Å; I155-Y159 HydrophobicContact CG2-CE1 4.09Å; I155-Y159 HydrophobicContact CG2-CG 3.81Å; D156-Y159 WeakPolarHBondContact O-CB 3.41Å; D156-Y159 PolarHBondContact O-N 2.92Å; D156-Y159 PolarHBondContact OD1-N 2.99Å; D156-Y159 VanDerWaalsContact OD1-N 3.16Å
160Y86.2Confident83.1Confident157 Ų157103.9 Ų103.962%0.61652%0.521SS*.G310 helixtrans-92.66.8176.9-68.9-74.3000113.4I155 F157 E158 Y162I155-Y160 HydrophobicContact CG2-CD2 4.35Å; I155-Y160 HydrophobicContact CG2-CE2 3.62Å; F157-Y160 CarbonylContact O-C 3.6Å; F157-Y160 PolarHBondContact O-N 3.31Å; E158-Y160 PolarHBondContact O-N 3.31Å; E158-Y160 VanDerWaalsContact O-N 3.15Å; Y160-Y162 VanDerWaalsContact C-N 3.27Å; Y160-Y162 HydrophobicContact CG-CE2 4.46Å; Y160-Y162 PolarHBondContact O-N 2.99Å
161G81.4Confident83Confident22 Ų22102.6 Ų102.623%0.22752%0.52CS..THydrogen-bonded Turntrans72.515.2174.600000114.5F157 E158 L163 D164F157-G161 PolarHBondContact O-N 3.16Å; E158-G161 PolarHBondContact O-N 3.36Å; G161-L163 PolarHBondContact O-N 3.41Å; G161-D164 WeakPolarHBondContact CA-OD2 3.48Å; G161-D164 WeakPolarHBondContact O-CB 3.48Å; G161-D164 PolarHBondContact O-N 3Å; G161-D164 VanDerWaalsContact O-N 3.08Å
162Y80Confident83.1Confident176 Ų176100.8 Ų100.869%0.6951%0.514SS*.THydrogen-bonded Turntrans-63.8-12.9179.5-79.2-76.1000113.9F157 Y160F157-Y162 HydrophobicContact CB-CD2 4.19Å; F157-Y162 PolarHBondContact O-N 2.96Å; Y160-Y162 VanDerWaalsContact C-N 3.27Å; Y160-Y162 HydrophobicContact CG-CE2 4.46Å; Y160-Y162 PolarHBondContact O-N 2.99Å
163L78.9Confident83.2Confident80 Ų80100.6 Ų100.642%0.41951%0.514SS..THydrogen-bonded Turntrans-109.9-0.4177.4-118.272.1000113.3F157 G161 E165 D166 D167F157-L163 HydrophobicContact CD2-CD1 3.85Å; F157-L163 HydrophobicContact CE2-CD1 3.62Å; F157-L163 HydrophobicContact CE2-CD2 4Å; F157-L163 HydrophobicContact CE2-CG 4.26Å; G161-L163 PolarHBondContact O-N 3.41Å; L163-E165 PolarHBondContact O-N 3.29Å; L163-D166 HydrophobicContact CG-CB 4.43Å; L163-D166 PolarHBondContact O-N 3.25Å; L163-D166 VanDerWaalsContact O-N 3.17Å; L163-D167 PolarHBondContact O-N 2.9Å
164D76.6Confident83.3Confident94 Ų9497.2 Ų97.250%0.50350%0.501SS..SBendtrans-68.8-25.8-176-69.7-2.1000111.5G161 D167 I170G161-D164 WeakPolarHBondContact CA-OD2 3.48Å; G161-D164 WeakPolarHBondContact O-CB 3.48Å; G161-D164 PolarHBondContact O-N 3Å; G161-D164 VanDerWaalsContact O-N 3.08Å; D164-D167 VanDerWaalsContact O-CG 3.29Å; D164-I170 WeakPolarHBondContact O-CD1 3.35Å
165E72.9Confident83.7Confident160 Ų16098.1 Ų98.175%0.74849%0.492SS*.SBendtrans-81.7-21.6175-63.7-175.7179.300113.3L163 I170L163-E165 PolarHBondContact O-N 3.29Å; E165-I170 HydrophobicContact CG-CD1 4.47Å
166D73.4Confident83.9Confident131 Ų131100.7 Ų100.770%0.70150%0.503SS*.THydrogen-bonded Turntrans-89.3-3.9-177.6-77.5-28.7000113.1L163 G168L163-D166 HydrophobicContact CG-CB 4.43Å; L163-D166 PolarHBondContact O-N 3.25Å; L163-D166 VanDerWaalsContact O-N 3.17Å; D166-G168 PolarHBondContact O-N 3.39Å
167D77.3Confident84.3Confident92 Ų92104.2 Ų104.249%0.49251%0.512SS..THydrogen-bonded Turntrans-70.7-12.5179.978.4-5.9000113.4L163 D164 V169L163-D167 PolarHBondContact O-N 2.9Å; D164-D167 VanDerWaalsContact O-CG 3.29Å; D167-V169 HydrophobicContact CB-CG2 4.36Å; D167-V169 PolarHBondContact O-N 3.07Å; D167-V169 WeakPolarHBondContact OD1-CB 3.45Å; D167-V169 PolarHBondContact OD1-N 3.06Å; D167-V169 WeakPolarHBondContact OD2-CG2 3.28Å
168G79.1Confident84.8Confident44 Ų44103 Ų10345%0.45451%0.508SS..SBendtrans68.410.3179.400000114.3D166 P172D166-G168 PolarHBondContact O-N 3.39Å; G168-P172 WeakPolarHBondContact O-CD 3.37Å; G168-P172 WeakPolarHBondContact O-CG 3.25Å
169V85.8Confident85.4Confident80 Ų80103.9 Ų103.949%0.48551%0.51SS..SBendtrans-85.7-35.4178.9-179.40000110.9D167 P172 L173D167-V169 HydrophobicContact CB-CG2 4.36Å; D167-V169 PolarHBondContact O-N 3.07Å; D167-V169 WeakPolarHBondContact OD1-CB 3.45Å; D167-V169 PolarHBondContact OD1-N 3.06Å; D167-V169 WeakPolarHBondContact OD2-CG2 3.28Å; V169-P172 WeakPolarHBondContact O-CD 3.4Å; V169-L173 HydrophobicContact CG1-CD1 4.08Å; V169-L173 WeakPolarHBondContact O-CG 3.3Å
170I84Confident85.8Confident66 Ų66101.6 Ų101.634%0.33850%0.503SS..Hα-helixtrans-65.5-50-176.8-63.6-179.7000111.4D164 E165 L173 E174D164-I170 WeakPolarHBondContact O-CD1 3.35Å; E165-I170 HydrophobicContact CG-CD1 4.47Å; I170-L173 WeakPolarHBondContact O-CB 3.44Å; I170-L173 PolarHBondContact O-N 3.42Å; I170-E174 HydrophobicContact CG2-CG 4.01Å; I170-E174 WeakPolarHBondContact CG2-OE1 3.07Å; I170-E174 WeakPolarHBondContact O-CG 3.38Å; I170-E174 PolarHBondContact O-N 2.79Å
171V87Confident86.1Confident75 Ų7598.9 Ų98.946%0.45550%0.499SS..Hα-helixtrans-58-46.1-174176.30000113.5L173 E174 Q175V171-L173 VanDerWaalsContact C-N 3.35Å; V171-L173 PolarHBondContact O-N 3.14Å; V171-E174 PolarHBondContact O-N 3.32Å; V171-Q175 WeakPolarHBondContact O-CG 3.49Å; V171-Q175 PolarHBondContact O-N 2.8Å; V171-Q175 VanDerWaalsContact O-N 3.08Å
172P91.2Very high86.6Confident63 Ų63105 Ų10541%0.40952%0.515SS..Hα-helixtrans-61-39.5174.6-2534.3000113.7G168 V169 Q175 E176G168-P172 WeakPolarHBondContact O-CD 3.37Å; G168-P172 WeakPolarHBondContact O-CG 3.25Å; V169-P172 WeakPolarHBondContact O-CD 3.4Å; P172-Q175 PolarHBondContact O-N 3.39Å; P172-E176 WeakPolarHBondContact O-CG 3.39Å; P172-E176 PolarHBondContact O-N 2.85Å; P172-E176 VanDerWaalsContact O-N 3.1Å
173L90.7Very high87.3Confident86 Ų8699.2 Ų99.245%0.4550%0.503SS..Hα-helixtrans-66.4-44.6179.3-69.5172.6000110.9V169 I170 V171 Q175 E176 Y177V169-L173 HydrophobicContact CG1-CD1 4.08Å; V169-L173 WeakPolarHBondContact O-CG 3.3Å; I170-L173 WeakPolarHBondContact O-CB 3.44Å; I170-L173 PolarHBondContact O-N 3.42Å; V171-L173 VanDerWaalsContact C-N 3.35Å; V171-L173 PolarHBondContact O-N 3.14Å; L173-Q175 VanDerWaalsContact C-N 3.33Å; L173-Q175 PolarHBondContact O-N 3.4Å; L173-E176 PolarHBondContact O-N 2.77Å; L173-Y177 VanDerWaalsContact O-CD2 3.27Å; L173-Y177 WeakPolarHBondContact O-CD2 3.44Å; L173-Y177 PolarHBondContact O-N 3.41Å
174E90.9Very high88Confident119 Ų119100.9 Ų100.956%0.55651%0.509SS*.Hα-helixtrans-58-45175.4-71.1179.5156.500111.6I170 V171 E176 Y177 E178I170-E174 HydrophobicContact CG2-CG 4.01Å; I170-E174 WeakPolarHBondContact CG2-OE1 3.07Å; I170-E174 WeakPolarHBondContact O-CG 3.38Å; I170-E174 PolarHBondContact O-N 2.79Å; V171-E174 PolarHBondContact O-N 3.32Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 2.98Å; E174-Y177 PolarHBondContact O-N 3.49Å; E174-E178 VanDerWaalsContact O-CB 3.29Å; E174-E178 WeakPolarHBondContact O-CB 3.49Å; E174-E178 PolarHBondContact O-N 3.39Å
175Q93.1Very high88.8Confident97 Ų97101.3 Ų101.345%0.45351%0.511SS..Hα-helixtrans-62.3-36.8177.1-72.2177.29.500113V171 P172 L173 K179V171-Q175 WeakPolarHBondContact O-CG 3.49Å; V171-Q175 PolarHBondContact O-N 2.8Å; V171-Q175 VanDerWaalsContact O-N 3.08Å; P172-Q175 PolarHBondContact O-N 3.39Å; L173-Q175 VanDerWaalsContact C-N 3.33Å; L173-Q175 PolarHBondContact O-N 3.4Å; Q175-K179 WeakPolarHBondContact O-CD 3.48Å; Q175-K179 VanDerWaalsContact O-CG 3.22Å; Q175-K179 WeakPolarHBondContact O-CG 3.44Å; Q175-K179 PolarHBondContact O-N 3.45Å; Q175-K179 VanDerWaalsContact O-N 3.12Å
176E94.9Very high89.7Confident107 Ų10797 Ų9750%0.550%0.496SS..Hα-helixtrans-68-42.6175.2-74.3-172.9178.700112.1P172 L173 E174 K180P172-E176 WeakPolarHBondContact O-CG 3.39Å; P172-E176 PolarHBondContact O-N 2.85Å; P172-E176 VanDerWaalsContact O-N 3.1Å; L173-E176 PolarHBondContact O-N 2.77Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 2.98Å; E176-K180 WeakPolarHBondContact O-CG 3.43Å; E176-K180 PolarHBondContact O-N 3.37Å
177Y94.1Very high90.6Very high148 Ų14896.1 Ų96.158%0.5849%0.487SS*.Hα-helixtrans-65.9-43.2176.2-86.2-73000111.8L173 E174 K179 K180 L181L173-Y177 VanDerWaalsContact O-CD2 3.27Å; L173-Y177 WeakPolarHBondContact O-CD2 3.44Å; L173-Y177 PolarHBondContact O-N 3.41Å; E174-Y177 PolarHBondContact O-N 3.49Å; Y177-K179 VanDerWaalsContact C-N 3.33Å; Y177-K179 PolarHBondContact O-N 2.87Å; Y177-K180 WeakPolarHBondContact O-CB 3.48Å; Y177-K180 PolarHBondContact O-N 3.43Å; Y177-K180 VanDerWaalsContact O-N 3.14Å; Y177-L181 PolarHBondContact O-N 2.96Å
178E93.7Very high91.3Very high89 Ų8998.2 Ų98.242%0.41649%0.492SS..Hα-helixtrans-59.1-44.8177.3-173.1-174.4-16700111.1E174 K180 L181 R182E174-E178 VanDerWaalsContact O-CB 3.29Å; E174-E178 WeakPolarHBondContact O-CB 3.49Å; E174-E178 PolarHBondContact O-N 3.39Å; E178-K180 VanDerWaalsContact C-N 3.32Å; E178-K180 PolarHBondContact O-N 2.71Å; E178-L181 PolarHBondContact O-N 3Å; E178-R182 HydrophobicContact CG-CG 4.34Å; E178-R182 WeakPolarHBondContact O-CB 2.95Å; E178-R182 VanDerWaalsContact O-CG 3.27Å; E178-R182 WeakPolarHBondContact O-CG 3.48Å; E178-R182 PolarHBondContact O-N 3.07Å; E178-R182 IonicContact OE1-CZ 3.27Å; E178-R182 IonicContact OE1-NE 3.38Å; E178-R182 PolarHBondContact OE1-NE 3.02Å; E178-R182 IonicContact OE1-NH2 2.89Å; E178-R182 PolarHBondContact OE1-NH2 3.16Å
179K95Very high91.8Very high137 Ų137102.2 Ų102.260%0.59649%0.493SS*.Hα-helixtrans-59.6-41.9175.6-75168.5-171.7168.10112.3Q175 Y177 A183Q175-K179 WeakPolarHBondContact O-CD 3.48Å; Q175-K179 VanDerWaalsContact O-CG 3.22Å; Q175-K179 WeakPolarHBondContact O-CG 3.44Å; Q175-K179 PolarHBondContact O-N 3.45Å; Q175-K179 VanDerWaalsContact O-N 3.12Å; Y177-K179 VanDerWaalsContact C-N 3.33Å; Y177-K179 PolarHBondContact O-N 2.87Å; K179-A183 WeakPolarHBondContact O-CB 3.45Å; K179-A183 PolarHBondContact O-N 2.83Å
180K95.2Very high92Very high110 Ų110103 Ų10348%0.47849%0.49SS..Hα-helixtrans-64.3-48.3177-70.3169.8-172.8165.20111E176 Y177 E178 R182 A183 E184E176-K180 WeakPolarHBondContact O-CG 3.43Å; E176-K180 PolarHBondContact O-N 3.37Å; Y177-K180 WeakPolarHBondContact O-CB 3.48Å; Y177-K180 PolarHBondContact O-N 3.43Å; Y177-K180 VanDerWaalsContact O-N 3.14Å; E178-K180 VanDerWaalsContact C-N 3.32Å; E178-K180 PolarHBondContact O-N 2.71Å; K180-R182 PolarHBondContact O-N 3.38Å; K180-A183 PolarHBondContact O-N 3.29Å; K180-E184 WeakPolarHBondContact O-CG 3.27Å; K180-E184 PolarHBondContact O-N 3.13Å
181L93.1Very high92.2Very high101 Ų101102.6 Ų102.653%0.52950%0.496SS..Hα-helixtrans-61.8-44.9179.4-119108.4000112Y177 E178 A183 E184 L185Y177-L181 PolarHBondContact O-N 2.96Å; E178-L181 PolarHBondContact O-N 3Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 PolarHBondContact O-N 2.79Å; L181-E184 PolarHBondContact O-N 3.27Å; L181-L185 WeakPolarHBondContact O-CB 3.17Å; L181-L185 WeakPolarHBondContact O-CG 3.44Å; L181-L185 PolarHBondContact O-N 2.52Å
182R92.6Very high92.1Very high150 Ų150105.8 Ų105.857%0.56651%0.506SS*.Hα-helixtrans-60.1-43.3175.7-74.4177.2179.7-153.21.8111.2E178 K180 L185 V186E178-R182 HydrophobicContact CG-CG 4.34Å; E178-R182 WeakPolarHBondContact O-CB 2.95Å; E178-R182 VanDerWaalsContact O-CG 3.27Å; E178-R182 WeakPolarHBondContact O-CG 3.48Å; E178-R182 PolarHBondContact O-N 3.07Å; E178-R182 IonicContact OE1-CZ 3.27Å; E178-R182 IonicContact OE1-NE 3.38Å; E178-R182 PolarHBondContact OE1-NE 3.02Å; E178-R182 IonicContact OE1-NH2 2.89Å; E178-R182 PolarHBondContact OE1-NH2 3.16Å; K180-R182 PolarHBondContact O-N 3.38Å; R182-L185 PolarHBondContact O-N 2.95Å; R182-V186 WeakPolarHBondContact O-CB 3.48Å; R182-V186 VanDerWaalsContact O-CG2 3.22Å; R182-V186 WeakPolarHBondContact O-CG2 3.4Å; R182-V186 PolarHBondContact O-N 3.2Å
183A93.9Very high91.7Very high54 Ų54107.1 Ų107.145%0.44650%0.503SS..Hα-helixtrans-62.7-45.2176.400000111.8K179 K180 L181 L185 V186 E187K179-A183 WeakPolarHBondContact O-CB 3.45Å; K179-A183 PolarHBondContact O-N 2.83Å; K180-A183 PolarHBondContact O-N 3.29Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 PolarHBondContact O-N 2.79Å; A183-L185 PolarHBondContact O-N 3.38Å; A183-V186 PolarHBondContact O-N 3.04Å; A183-E187 WeakPolarHBondContact O-CG 3.45Å; A183-E187 PolarHBondContact O-N 3.37Å
184E93.9Very high91.1Very high116 Ų116109.9 Ų109.954%0.54251%0.514SS..Hα-helixtrans-62.1-41.7176.5-72.5178.3-168.200112.7K180 L181 E187 K188K180-E184 WeakPolarHBondContact O-CG 3.27Å; K180-E184 PolarHBondContact O-N 3.13Å; L181-E184 PolarHBondContact O-N 3.27Å; E184-E187 PolarHBondContact O-N 3.12Å; E184-K188 WeakPolarHBondContact O-CG 3.49Å; E184-K188 PolarHBondContact O-N 3.23Å
185L92.4Very high90.7Very high103 Ų103106.8 Ų106.854%0.53951%0.509SS..Hα-helixtrans-64.2-43.7176-77.8168.3000111.6L181 R182 A183 E187 K188 W189L181-L185 WeakPolarHBondContact O-CB 3.17Å; L181-L185 WeakPolarHBondContact O-CG 3.44Å; L181-L185 PolarHBondContact O-N 2.52Å; R182-L185 PolarHBondContact O-N 2.95Å; A183-L185 PolarHBondContact O-N 3.38Å; L185-E187 PolarHBondContact O-N 2.96Å; L185-K188 PolarHBondContact O-N 3.11Å; L185-W189 WeakPolarHBondContact O-CB 3.39Å; L185-W189 PolarHBondContact O-N 2.99Å
186V92.8Very high89.9Confident70 Ų70106 Ų10642%0.42450%0.501SS..Hα-helixtrans-63.3-41.6176.7167.50000111.2R182 A183 W189 K190R182-V186 WeakPolarHBondContact O-CB 3.48Å; R182-V186 VanDerWaalsContact O-CG2 3.22Å; R182-V186 WeakPolarHBondContact O-CG2 3.4Å; R182-V186 PolarHBondContact O-N 3.2Å; A183-V186 PolarHBondContact O-N 3.04Å; V186-W189 PolarHBondContact O-N 3.36Å; V186-K190 HydrophobicContact CG1-CD 4.26Å; V186-K190 HydrophobicContact CG1-CG 4.46Å; V186-K190 WeakPolarHBondContact O-CB 3.37Å; V186-K190 VanDerWaalsContact O-CG 3.3Å; V186-K190 WeakPolarHBondContact O-CG 3.32Å; V186-K190 PolarHBondContact O-N 3.24Å
187E92.7Very high88.9Confident111 Ų111106 Ų10652%0.51950%0.504SS..Hα-helixtrans-66.6-39.6176.9-70.5-59.6119.600112A183 E184 L185 K190 A191A183-E187 WeakPolarHBondContact O-CG 3.45Å; A183-E187 PolarHBondContact O-N 3.37Å; E184-E187 PolarHBondContact O-N 3.12Å; L185-E187 PolarHBondContact O-N 2.96Å; E187-K190 PolarHBondContact O-N 2.98Å; E187-K190 IonicContact OE1-NZ 2.72Å; E187-K190 PolarHBondContact OE1-NZ 3.14Å; E187-A191 WeakPolarHBondContact O-CB 3.45Å; E187-A191 PolarHBondContact O-N 3.48Å
188K91.3Very high88Confident136 Ų136103.1 Ų103.159%0.59151%0.511SS*.Hα-helixtrans-60.9-47171.7-75.1174.3-178.3173.20111.8E184 L185 K190 A191 E192E184-K188 WeakPolarHBondContact O-CG 3.49Å; E184-K188 PolarHBondContact O-N 3.23Å; L185-K188 PolarHBondContact O-N 3.11Å; K188-K190 PolarHBondContact O-N 3.43Å; K188-A191 PolarHBondContact O-N 3.18Å; K188-E192 WeakPolarHBondContact O-CB 3.41Å; K188-E192 PolarHBondContact O-N 3.5Å
189W90.4Very high87Confident129 Ų129108 Ų10849%0.48953%0.526SS..Hα-helixtrans-61.9-43.1178177.483.5000112.1L185 V186 E192 R193L185-W189 WeakPolarHBondContact O-CB 3.39Å; L185-W189 PolarHBondContact O-N 2.99Å; V186-W189 PolarHBondContact O-N 3.36Å; W189-E192 PolarHBondContact O-N 3.5Å; W189-R193 HydrophobicContact CD2-CG 4.3Å; W189-R193 HydrophobicContact CH2-CG 4.48Å; W189-R193 HydrophobicContact CZ2-CG 4.09Å; W189-R193 WeakPolarHBondContact O-CB 3.48Å; W189-R193 PolarHBondContact O-N 3Å
190K88.6Confident85.4Confident97 Ų97104.4 Ų104.442%0.42253%0.528SS..Hα-helixtrans-62-44.6174.4-74.3175.7-169.2163.10111.8V186 E187 K188 E192 R193 E194V186-K190 HydrophobicContact CG1-CD 4.26Å; V186-K190 HydrophobicContact CG1-CG 4.46Å; V186-K190 WeakPolarHBondContact O-CB 3.37Å; V186-K190 VanDerWaalsContact O-CG 3.3Å; V186-K190 WeakPolarHBondContact O-CG 3.32Å; V186-K190 PolarHBondContact O-N 3.24Å; E187-K190 PolarHBondContact O-N 2.98Å; E187-K190 IonicContact OE1-NZ 2.72Å; E187-K190 PolarHBondContact OE1-NZ 3.14Å; K188-K190 PolarHBondContact O-N 3.43Å; K190-E192 VanDerWaalsContact C-N 3.32Å; K190-E192 PolarHBondContact O-N 2.96Å; K190-R193 PolarHBondContact O-N 3.42Å; K190-E194 WeakPolarHBondContact O-CB 3.36Å; K190-E194 PolarHBondContact O-N 3.36Å
191A89.4Confident83.5Confident56 Ų56103.3 Ų103.346%0.46353%0.525SS..Hα-helixtrans-64.1-38.4178.300000111.7E187 K188 A195E187-A191 WeakPolarHBondContact O-CB 3.45Å; E187-A191 PolarHBondContact O-N 3.48Å; K188-A191 PolarHBondContact O-N 3.18Å; A191-A195 VanDerWaalsContact O-CB 3.23Å; A191-A195 WeakPolarHBondContact O-CB 3.27Å; A191-A195 PolarHBondContact O-N 3.32Å
192E85Confident81.4Confident142 Ų142106.1 Ų106.166%0.66453%0.532SS*.Hα-helixtrans-66.7-45174.4-174.8165.3-156.500111.7K188 W189 K190 E194 A195 R196K188-E192 WeakPolarHBondContact O-CB 3.41Å; K188-E192 PolarHBondContact O-N 3.5Å; W189-E192 PolarHBondContact O-N 3.5Å; K190-E192 VanDerWaalsContact C-N 3.32Å; K190-E192 PolarHBondContact O-N 2.96Å; E192-E194 PolarHBondContact O-N 3.17Å; E192-A195 PolarHBondContact O-N 3.04Å; E192-R196 VanDerWaalsContact O-CB 3.29Å; E192-R196 WeakPolarHBondContact O-CB 3.31Å; E192-R196 PolarHBondContact O-N 3.39Å
193R81.9Confident79.4Confident92 Ų92103.9 Ų103.935%0.34753%0.529SS..Hα-helixtrans-61-43.4173.1-80.8-150.769.7150.31.8112.8W189 K190 R196 L197 E203W189-R193 HydrophobicContact CD2-CG 4.3Å; W189-R193 HydrophobicContact CH2-CG 4.48Å; W189-R193 HydrophobicContact CZ2-CG 4.09Å; W189-R193 WeakPolarHBondContact O-CB 3.48Å; W189-R193 PolarHBondContact O-N 3Å; K190-R193 PolarHBondContact O-N 3.42Å; R193-R196 PolarHBondContact O-N 3.06Å; R193-L197 WeakPolarHBondContact O-CB 3.38Å; R193-L197 PolarHBondContact O-N 2.91Å; R193-E203 IonicContact CZ-OE1 3.5Å; R193-E203 IonicContact NH2-OE1 3.53Å; R193-E203 PolarHBondContact NH2-OE1 3Å; R193-E203 IonicContact NH2-OE2 3.63Å
194E78.1Confident77.1Confident144 Ų144108.6 Ų108.667%0.67354%0.541SS*.Hα-helixtrans-66.4-41.1178-170.8178.1-176.600111.3K190 E192 R196 L197 A198K190-E194 WeakPolarHBondContact O-CB 3.36Å; K190-E194 PolarHBondContact O-N 3.36Å; E192-E194 PolarHBondContact O-N 3.17Å; E194-R196 VanDerWaalsContact C-N 3.31Å; E194-R196 PolarHBondContact O-N 3.26Å; E194-L197 PolarHBondContact O-N 3.28Å; E194-A198 WeakPolarHBondContact O-CB 3.44Å; E194-A198 PolarHBondContact O-N 3.49Å
195A82.7Confident74.6Confident54 Ų54110.8 Ų110.845%0.44655%0.551SS.*Hα-helixtrans-64-36.6174.500000112.4A191 E192 R199A191-A195 VanDerWaalsContact O-CB 3.23Å; A191-A195 WeakPolarHBondContact O-CB 3.27Å; A191-A195 PolarHBondContact O-N 3.32Å; E192-A195 PolarHBondContact O-N 3.04Å; A195-R199 WeakPolarHBondContact O-CB 3.1Å; A195-R199 PolarHBondContact O-N 2.72Å; A195-R199 VanDerWaalsContact O-N 3.08Å
196R75.6Confident72.4Confident79 Ų79108.9 Ų108.930%0.29854%0.54SS..Hα-helixtrans-68.4-45175.4-171.2177.8-170.3146.1-0.6112.2E192 R193 E194 A198 R199 G200 E201 E206E192-R196 VanDerWaalsContact O-CB 3.29Å; E192-R196 WeakPolarHBondContact O-CB 3.31Å; E192-R196 PolarHBondContact O-N 3.39Å; R193-R196 PolarHBondContact O-N 3.06Å; E194-R196 VanDerWaalsContact C-N 3.31Å; E194-R196 PolarHBondContact O-N 3.26Å; R196-A198 VanDerWaalsContact C-N 3.33Å; R196-A198 PolarHBondContact O-N 2.93Å; R196-R199 CarbonylContact O-C 3.6Å; R196-R199 WeakPolarHBondContact O-CA 3.19Å; R196-R199 WeakPolarHBondContact O-CB 3.11Å; R196-R199 PolarHBondContact O-N 3.15Å; R196-G200 PolarHBondContact O-N 3.27Å; R196-E201 HydrophobicContact CG-CB 4.05Å; R196-E201 WeakPolarHBondContact CG-OE2 3.28Å; R196-E201 IonicContact CZ-OE2 4Å; R196-E201 IonicContact NE-OE2 2.85Å; R196-E201 PolarHBondContact NE-OE2 3.18Å; R196-E201 IonicContact NH2-OE2 3.65Å; R196-E206 VanDerWaalsContact CZ-CD 3.41Å; R196-E206 IonicContact CZ-OE1 2.75Å; R196-E206 IonicContact CZ-OE2 3.22Å; R196-E206 IonicContact NH1-OE1 3Å; R196-E206 PolarHBondContact NH1-OE1 3.22Å; R196-E206 IonicContact NH1-OE2 2.79Å; R196-E206 PolarHBondContact NH1-OE2 2.93Å; R196-E206 IonicContact NH2-OE1 2.63Å; R196-E206 PolarHBondContact NH2-OE1 2.82Å; R196-E206 IonicContact NH2-OE2 2.77Å; R196-E206 PolarHBondContact NH2-OE2 3.46Å
197L74.1Confident70Confident108 Ų108112 Ų11257%0.56555%0.55SS**Hα-helixtrans-63.8-38.5175.8-171132000111.6R193 E194 R199 G200R193-L197 WeakPolarHBondContact O-CB 3.38Å; R193-L197 PolarHBondContact O-N 2.91Å; E194-L197 PolarHBondContact O-N 3.28Å; L197-R199 VanDerWaalsContact C-N 3.27Å; L197-R199 PolarHBondContact O-N 3.38Å; L197-G200 PolarHBondContact O-N 2.89Å
198A74.9Confident67.6Low88 Ų88113.9 Ų113.973%0.72756%0.558SS**Hα-helixtrans-66.8-25.9172.200000113.4E194 R196 G200E194-A198 WeakPolarHBondContact O-CB 3.44Å; E194-A198 PolarHBondContact O-N 3.49Å; R196-A198 VanDerWaalsContact C-N 3.33Å; R196-A198 PolarHBondContact O-N 2.93Å; A198-G200 VanDerWaalsContact C-N 3.31Å
199R73.8Confident65.4Low190 Ų190113.9 Ų113.972%0.71756%0.561SS**Hα-helixtrans-80.2-10.9174.8-161.5177.6-70.9-171.41.6112.9A195 R196 L197 E201A195-R199 WeakPolarHBondContact O-CB 3.1Å; A195-R199 PolarHBondContact O-N 2.72Å; A195-R199 VanDerWaalsContact O-N 3.08Å; R196-R199 CarbonylContact O-C 3.6Å; R196-R199 WeakPolarHBondContact O-CA 3.19Å; R196-R199 WeakPolarHBondContact O-CB 3.11Å; R196-R199 PolarHBondContact O-N 3.15Å; L197-R199 VanDerWaalsContact C-N 3.27Å; L197-R199 PolarHBondContact O-N 3.38Å; R199-E201 WeakPolarHBondContact CD-OE1 3.48Å
200G60.9Low63.4Low62 Ų62113.9 Ų113.964%0.63957%0.566SS**THydrogen-bonded Turntrans77.421.7174.400000114.6R196 L197 A198R196-G200 PolarHBondContact O-N 3.27Å; L197-G200 PolarHBondContact O-N 2.89Å; A198-G200 VanDerWaalsContact C-N 3.31Å
201E55.8Low61.5Low88 Ų88117.3 Ų117.341%0.41158%0.584SS.*  trans-75.9130169.6-71.6168.1-166.500108.7R196 R199R196-E201 HydrophobicContact CG-CB 4.05Å; R196-E201 WeakPolarHBondContact CG-OE2 3.28Å; R196-E201 IonicContact CZ-OE2 4Å; R196-E201 IonicContact NE-OE2 2.85Å; R196-E201 PolarHBondContact NE-OE2 3.18Å; R196-E201 IonicContact NH2-OE2 3.65Å; R199-E201 WeakPolarHBondContact CD-OE1 3.48Å
202K49Very low59.4Low159 Ų159120.5 Ų120.569%0.69159%0.592SS**  trans-70137.8-179-74.8-178.5174.7-175.10110.4E204K202-E204 PolarHBondContact O-N 2.88Å
203E51.1Low57.9Low104 Ų104119 Ų11949%0.48659%0.588SS.*G310 helixtrans-69.1-12.9-179.9-64-178140.100113.9R193R193-E203 IonicContact CZ-OE1 3.5Å; R193-E203 IonicContact NH2-OE1 3.53Å; R193-E203 PolarHBondContact NH2-OE1 3Å; R193-E203 IonicContact NH2-OE2 3.63Å
204E44.6Very low56.3Low152 Ų152121.4 Ų121.471%0.7161%0.607SS**G310 helixtrans-81-16.9-171.2-68.7176.5155.600114.8K202K202-E204 PolarHBondContact O-N 2.88Å
205E42.2Very low54.9Low162 Ų162124.8 Ų124.876%0.75762%0.615SS**G310 helixtrans-86.8-10.4-175.9-83.2179.6167.400114.4
206E44.8Very low53.3Low64 Ų64125 Ų12530%0.29962%0.617SS.*THydrogen-bonded Turntrans-115.8-16-176.6-92.1-174-163.400115.9R196 E208 E209 E210R196-E206 VanDerWaalsContact CZ-CD 3.41Å; R196-E206 IonicContact CZ-OE1 2.75Å; R196-E206 IonicContact CZ-OE2 3.22Å; R196-E206 IonicContact NH1-OE1 3Å; R196-E206 PolarHBondContact NH1-OE1 3.22Å; R196-E206 IonicContact NH1-OE2 2.79Å; R196-E206 PolarHBondContact NH1-OE2 2.93Å; R196-E206 IonicContact NH2-OE1 2.63Å; R196-E206 PolarHBondContact NH2-OE1 2.82Å; R196-E206 IonicContact NH2-OE2 2.77Å; R196-E206 PolarHBondContact NH2-OE2 3.46Å; E206-E208 PolarHBondContact O-N 3.32Å; E206-E209 PolarHBondContact O-N 3.43Å; E206-E210 PolarHBondContact O-N 3.12Å
207E43.5Very low51.9Low136 Ų136127.7 Ų127.764%0.63664%0.641SS**Hα-helixtrans-59.8-30.9168.2-73.9-172.3166.200110.6E211E207-E211 WeakPolarHBondContact O-CB 3.37Å; E207-E211 PolarHBondContact O-N 2.9Å
208E42.3Very low50.3Low149 Ų149127.5 Ų127.570%0.69665%0.645SS**Hα-helixtrans-72.4-33.5171.2-71.6-169.1163.600113.1E206 I212E206-E208 PolarHBondContact O-N 3.32Å; E208-I212 WeakPolarHBondContact O-CD1 3.37Å; E208-I212 WeakPolarHBondContact O-CG1 3.43Å
209E45.7Very low48.9Very low137 Ų137132.5 Ų132.564%0.6465%0.653SS**Hα-helixtrans-80.8-33.4179-68.8-163.5163.100113.2E206 I212E206-E209 PolarHBondContact O-N 3.43Å; E209-I212 PolarHBondContact O-N 3.34Å
210E48.2Very low47.2Very low128 Ų128130.9 Ų130.960%0.59866%0.659SS**Hα-helixtrans-74.3-31.7176.5-69.3-169.1165.600112.6E206 I212E206-E210 PolarHBondContact O-N 3.12Å; E210-I212 VanDerWaalsContact C-N 3.29Å; E210-I212 PolarHBondContact O-N 2.91Å
211E48.3Very low46.2Very low169 Ų169135.9 Ų135.979%0.7967%0.665SS**Hα-helixtrans-70.7-21.4172.9-82-166.7160.700113.4E207 N213E207-E211 WeakPolarHBondContact O-CB 3.37Å; E207-E211 PolarHBondContact O-N 2.9Å; E211-N213 VanDerWaalsContact C-N 3.32Å; E211-N213 PolarHBondContact O-N 3.33Å
212I44Very low45.2Very low123 Ų123136.8 Ų136.863%0.63168%0.681SS**THydrogen-bonded Turntrans-73.3-18.2-174.9-74.1165.8000113.2E208 E209 E210E208-I212 WeakPolarHBondContact O-CD1 3.37Å; E208-I212 WeakPolarHBondContact O-CG1 3.43Å; E209-I212 PolarHBondContact O-N 3.34Å; E210-I212 VanDerWaalsContact C-N 3.29Å; E210-I212 PolarHBondContact O-N 2.91Å
213N54.2Low44.7Very low112 Ų112136.6 Ų136.660%0.59969%0.688SS**THydrogen-bonded Turntrans-132.644-167.4-100.5-6.2000116.7E211 A216E211-N213 VanDerWaalsContact C-N 3.32Å; E211-N213 PolarHBondContact O-N 3.33Å; N213-A216 WeakPolarHBondContact OD1-CB 3.48Å
214I47.7Very low44.1Very low142 Ų142140.2 Ų140.273%0.72871%0.705SS**SBendtrans-90.1-19.2161-72172.9000112.3
215Y49.7Very low43.6Very low215 Ų215142.5 Ų142.584%0.84372%0.716SS**SBendtrans-115.85-176.6-74-82.7000115.1V217Y215-V217 PolarHBondContact O-N 2.94Å
216A50Low43.2Very low59 Ų59138 Ų13849%0.48871%0.712SS.*  trans-76.798.6173.800000110.1N213 T218N213-A216 WeakPolarHBondContact OD1-CB 3.48Å; A216-T218 PolarHBondContact O-N 3.42Å
217V44.3Very low42.7Very low134 Ų134140.1 Ų140.181%0.81273%0.734SS**  trans-66.9101.4167-178.60000107.3Y215 E219Y215-V217 PolarHBondContact O-N 2.94Å; V217-E219 PolarHBondContact O-N 3.09Å
218T42Very low42.2Very low105 Ų105142.1 Ų142.164%0.64474%0.744SS**  trans-67.5123.2163.344.20000108A216 D220A216-T218 PolarHBondContact O-N 3.42Å; T218-D220 PolarHBondContact O-N 2.94Å
219E44.1Very low41.9Very low193 Ų193141.7 Ų141.790%0.90274%0.742SS**THydrogen-bonded Turntrans-63.82.3-176.5-76.3-177.4148.800115V217V217-E219 PolarHBondContact O-N 3.09Å
220D39.4Very low41.4Very low156 Ų156144.1 Ų144.183%0.83475%0.75SS**THydrogen-bonded Turntrans-106.52.8-167.4-89.6-44000116.5T218T218-D220 PolarHBondContact O-N 2.94Å
221E40.1Very low40.4Very low166 Ų166141.6 Ų141.678%0.77676%0.758SS**  trans-124.375.3174.9-69.9-167.5166.200111.6D223E221-D223 PolarHBondContact O-N 3.38Å
222S35.1Very low39.8Very low107 Ų107137.3 Ų137.375%0.74876%0.76SS**  trans-91.477.6162.7164.10000108.7E224S222-E224 PolarHBondContact O-N 3.43Å
223D36.7Very low39.7Very low156 Ų156138.7 Ų138.783%0.83477%0.768SS**  trans-66.9103.1164.2-92.1-19.4000109.3E221E221-D223 PolarHBondContact O-N 3.38Å
224E39.6Very low39Very low180 Ų180140.3 Ų140.384%0.84178%0.777SS**  trans-94.392.2164.2-87.6-166.616000109.4S222S222-E224 PolarHBondContact O-N 3.43Å
225E34.6Very low39Very low200 Ų200137.4 Ų137.494%0.93578%0.782SS**  trans-147.8137.6142.7-83.2-148.1160.100111.5
226G32.9Very low38.7Very low66 Ų66135.9 Ų135.968%0.6878%0.783SS**  trans119.773163.500000114.9
227S33.8Very low38.6Very low110 Ų110141.5 Ų141.577%0.76980%0.799SS**  62.9116.7100.270.30000117
228Q34Very low38.8Very low178 Ų178144 Ų14483%0.83280%0.799SS**  178.7125.1112-101.6-177.4-21.400114.5
229E34.8Very low39.3Very low140 Ų140148.5 Ų148.565%0.65481%0.81SS**  trans51.7130.7134-69.8-155.9167.300124.9
230K35.7Very low40Very low187 Ų187146.3 Ų146.381%0.81380%0.803SS**  trans79.1117143.1-76.3173.2178.9125.20118.7
231G28.4Very low40.8Very low75 Ų75143.1 Ų143.177%0.77380%0.799SS**  trans170.9112.6155.400000111.1
232G34.7Very low41.5Very low80 Ų80143 Ų14383%0.82580%0.798SS**  trans-65.7152.5165.900000111.5
233D42.8Very low43.3Very low151 Ų151142.9 Ų142.981%0.80779%0.792SS**  trans4598.8150-145.736.2000117.9
234D38.2Very low45.1Very low147 Ų147140.8 Ų140.879%0.78679%0.787SS**  171.1133.4112.7-109.8-31.5000112.3Q236D234-Q236 PolarHBondContact O-N 3Å
235G49Very low46.7Very low81 Ų81137.9 Ų137.984%0.83578%0.781SS**  trans7329.6135.300000122.5
236Q41.8Very low49Very low183 Ų183131.8 Ų131.886%0.85576%0.759SS**  trans-114124.2169.3-71.7-176-300113.3D234 K238D234-Q236 PolarHBondContact O-N 3Å; Q236-K238 PolarHBondContact O-N 3.01Å
237Q48.8Very low51.4Low177 Ų177131 Ų13183%0.82774%0.743SS**  trans-61.1107.7175.6-70.4-178.9-13.300109.6F239Q237-F239 PolarHBondContact O-N 3.28Å
238K47.7Very low53.7Low187 Ų187133 Ų13381%0.81374%0.74SS**  trans-65.3112.4171.9-66.1-179.4179.8-177.60108.7Q236 I240Q236-K238 PolarHBondContact O-N 3.01Å; K238-I240 HydrophobicContact CB-CG1 4.47Å; K238-I240 PolarHBondContact O-N 2.97Å; K238-I240 VanDerWaalsContact O-N 3.08Å
239F54Low56.2Low199 Ų199131.4 Ų131.487%0.87373%0.733SS**  trans-70.7100.1167.7-73.7-86.7000108.5Q237Q237-F239 PolarHBondContact O-N 3.28Å
240I57.6Low58.7Low146 Ų146129.9 Ų129.975%0.74973%0.726SS**  trans-90.1102.6172.1-60.3171.1000106.8K238 H242K238-I240 HydrophobicContact CB-CG1 4.47Å; K238-I240 PolarHBondContact O-N 2.97Å; K238-I240 VanDerWaalsContact O-N 3.08Å; I240-H242 PolarHBondContact O-N 3.23Å; I240-H242 VanDerWaalsContact O-N 3.09Å
241A57.5Low61.1Low90 Ų90125 Ų12574%0.74471%0.708SS**  trans-70.6100.4166.400000108.1V243A241-V243 PolarHBondContact O-N 2.63Å
242H55Low63.7Low163 Ų163126.6 Ų126.676%0.75570%0.695SS**  trans-72.693.8176.2-169.2-13.5000109I240 P244I240-H242 PolarHBondContact O-N 3.23Å; I240-H242 VanDerWaalsContact O-N 3.09Å; H242-P244 WeakPolarHBondContact O-CD 3.27Å
243V71.3Confident66.5Low105 Ų105127.8 Ų127.864%0.63668%0.679SS**  trans-69.6124163.6-177.60000106.9A241 V245A241-V243 PolarHBondContact O-N 2.63Å; V243-V245 PolarHBondContact O-N 2.91Å
244P74.6Confident68.8Low111 Ų111123.1 Ų123.172%0.72166%0.662SS**  trans-65.7105.4175.5-17.830.9000109.1H242 P246H242-P244 WeakPolarHBondContact O-CD 3.27Å; P244-P246 WeakPolarHBondContact O-CD 3.44Å
245V73.9Confident71.2Confident120 Ų120120.7 Ų120.773%0.72765%0.648SS**PPolyproline II helixtrans-86120.9173.2-179.60000107.5V243V243-V245 PolarHBondContact O-N 2.91Å
246P82.8Confident73.3Confident71 Ų71121.6 Ų121.646%0.46164%0.637SS.*PPolyproline II helixtrans-55.5141.5178.7-27.836.1000112.3P244 E250 I251P244-P246 WeakPolarHBondContact O-CD 3.44Å; P246-E250 WeakPolarHBondContact CA-OE2 3.39Å; P246-E250 HydrophobicContact CB-CB 4.26Å; P246-E250 WeakPolarHBondContact CB-OE2 3.39Å; P246-I251 HydrophobicContact CB-CG1 4.21Å
247S82.3Confident75.6Confident50 Ų50120.6 Ų120.635%0.3563%0.626SS.*PPolyproline II helixtrans-68.6156.6177.370.70000111Q249 E250 I251S247-Q249 PolarHBondContact O-N 3.29Å; S247-Q249 VanDerWaalsContact O-N 3.13Å; S247-E250 WeakPolarHBondContact CB-OE1 3.43Å; S247-E250 PolarHBondContact N-OE2 3.09Å; S247-E250 WeakPolarHBondContact O-CB 3.39Å; S247-E250 PolarHBondContact O-N 3.46Å; S247-E250 WeakPolarHBondContact OG-CG 3.49Å; S247-E250 PolarHBondContact OG-OE1 3.15Å; S247-I251 PolarHBondContact O-N 2.78Å; S247-I251 VanDerWaalsContact O-N 3.12Å
248Q82.9Confident77.7Confident152 Ų152121.2 Ų121.271%0.7162%0.62SS**Hα-helixtrans-56.1-33.6179.7-172.1132.3-3.200112.8I251 E252Q248-I251 PolarHBondContact O-N 3.17Å; Q248-E252 WeakPolarHBondContact O-CG 3.5Å; Q248-E252 PolarHBondContact O-N 3.01Å
249Q87.1Confident79.5Confident145 Ų145119.3 Ų119.368%0.67861%0.612SS**Hα-helixtrans-67.6-39.9176.2-66.4-178.5-6.500112.1S247 I251 E252 E253S247-Q249 PolarHBondContact O-N 3.29Å; S247-Q249 VanDerWaalsContact O-N 3.13Å; Q249-I251 VanDerWaalsContact C-N 3.31Å; Q249-I251 PolarHBondContact O-N 2.88Å; Q249-E252 PolarHBondContact O-N 3.17Å; Q249-E253 WeakPolarHBondContact O-CG 3.42Å; Q249-E253 PolarHBondContact O-N 3.47Å
250E87.1Confident81.1Confident107 Ų107116.6 Ų116.650%0.560%0.6SS.*Hα-helixtrans-64.8-37.4176.3-72.1156.4-136.600111.8P246 S247 A254P246-E250 WeakPolarHBondContact CA-OE2 3.39Å; P246-E250 HydrophobicContact CB-CB 4.26Å; P246-E250 WeakPolarHBondContact CB-OE2 3.39Å; S247-E250 WeakPolarHBondContact CB-OE1 3.43Å; S247-E250 PolarHBondContact N-OE2 3.09Å; S247-E250 WeakPolarHBondContact O-CB 3.39Å; S247-E250 PolarHBondContact O-N 3.46Å; S247-E250 WeakPolarHBondContact OG-CG 3.49Å; S247-E250 PolarHBondContact OG-OE1 3.15Å; E250-A254 VanDerWaalsContact O-CB 3.29Å; E250-A254 WeakPolarHBondContact O-CB 3.32Å; E250-A254 PolarHBondContact O-N 3.23Å
251I85.2Confident82.4Confident85 Ų85114.9 Ų114.944%0.43659%0.59SS.*Hα-helixtrans-65.9-44.9175.9-62.5170000110.3P246 S247 Q248 Q249 A254 L255P246-I251 HydrophobicContact CB-CG1 4.21Å; S247-I251 PolarHBondContact O-N 2.78Å; S247-I251 VanDerWaalsContact O-N 3.12Å; Q248-I251 PolarHBondContact O-N 3.17Å; Q249-I251 VanDerWaalsContact C-N 3.31Å; Q249-I251 PolarHBondContact O-N 2.88Å; I251-A254 PolarHBondContact O-N 3.07Å; I251-L255 HydrophobicContact CG2-CD1 4.01Å; I251-L255 HydrophobicContact CG2-CG 4.49Å; I251-L255 WeakPolarHBondContact O-CB 3.23Å; I251-L255 VanDerWaalsContact O-CG 3.29Å; I251-L255 WeakPolarHBondContact O-CG 3.39Å; I251-L255 PolarHBondContact O-N 3.12Å
252E84.5Confident83.7Confident109 Ų109114.5 Ų114.551%0.50957%0.573SS.*Hα-helixtrans-62-46.4177.2-74.4175.6-172.600111.7Q248 Q249 A254 L255 V256Q248-E252 WeakPolarHBondContact O-CG 3.5Å; Q248-E252 PolarHBondContact O-N 3.01Å; Q249-E252 PolarHBondContact O-N 3.17Å; E252-A254 VanDerWaalsContact C-N 3.35Å; E252-A254 PolarHBondContact O-N 3.01Å; E252-L255 PolarHBondContact O-N 2.66Å; E252-V256 VanDerWaalsContact O-CG2 3.29Å; E252-V256 WeakPolarHBondContact O-CG2 3.39Å; E252-V256 PolarHBondContact O-N 3.09Å
253E92.9Very high85.1Confident104 Ų104111.5 Ų111.549%0.48656%0.562SS.*Hα-helixtrans-60.6-42.9175.7-75.5-167.8-17500112.5Q249 V256 R257Q249-E253 WeakPolarHBondContact O-CG 3.42Å; Q249-E253 PolarHBondContact O-N 3.47Å; E253-V256 PolarHBondContact O-N 3.01Å; E253-R257 WeakPolarHBondContact O-CB 3.37Å; E253-R257 WeakPolarHBondContact O-CG 3.06Å; E253-R257 PolarHBondContact O-N 3.45Å; E253-R257 IonicContact OE2-CZ 3.85Å; E253-R257 IonicContact OE2-NH1 3.18Å; E253-R257 IonicContact OE2-NH2 3.2Å; E253-R257 PolarHBondContact OE2-NH2 3.47Å
254A90.3Very high85.5Confident54 Ų54110.6 Ų110.645%0.44655%0.553SS.*Hα-helixtrans-63-42.117800000111.6E250 I251 E252 R257 R258E250-A254 VanDerWaalsContact O-CB 3.29Å; E250-A254 WeakPolarHBondContact O-CB 3.32Å; E250-A254 PolarHBondContact O-N 3.23Å; I251-A254 PolarHBondContact O-N 3.07Å; E252-A254 VanDerWaalsContact C-N 3.35Å; E252-A254 PolarHBondContact O-N 3.01Å; A254-R257 PolarHBondContact O-N 3.14Å; A254-R258 WeakPolarHBondContact O-CB 3.22Å; A254-R258 PolarHBondContact O-N 3.11Å
255L89.5Confident85.6Confident96 Ų96112.1 Ų112.150%0.50355%0.55SS.*Hα-helixtrans-64.6-41.6175.7-74.8171000112.1I251 E252 R258 K259I251-L255 HydrophobicContact CG2-CD1 4.01Å; I251-L255 HydrophobicContact CG2-CG 4.49Å; I251-L255 WeakPolarHBondContact O-CB 3.23Å; I251-L255 VanDerWaalsContact O-CG 3.29Å; I251-L255 WeakPolarHBondContact O-CG 3.39Å; I251-L255 PolarHBondContact O-N 3.12Å; E252-L255 PolarHBondContact O-N 2.66Å; L255-R258 PolarHBondContact O-N 3.18Å; L255-K259 PolarHBondContact O-N 2.91Å
256V92.9Very high85.8Confident100 Ų100112.6 Ų112.661%0.60654%0.543SS*.Hα-helixtrans-64.7-44.7176.5171.40000110.9E252 E253 R258 K259 K260E252-V256 VanDerWaalsContact O-CG2 3.29Å; E252-V256 WeakPolarHBondContact O-CG2 3.39Å; E252-V256 PolarHBondContact O-N 3.09Å; E253-V256 PolarHBondContact O-N 3.01Å; V256-R258 PolarHBondContact O-N 3.12Å; V256-K259 PolarHBondContact O-N 3.23Å; V256-K260 WeakPolarHBondContact O-CB 3.43Å; V256-K260 PolarHBondContact O-N 3.31Å
257R90.7Very high85.5Confident161 Ų161118.1 Ų118.161%0.60856%0.556SS**Hα-helixtrans-59.9-45.3175.1-75-178.4-170.613016.7111.2E253 A254 K260 M261E253-R257 WeakPolarHBondContact O-CB 3.37Å; E253-R257 WeakPolarHBondContact O-CG 3.06Å; E253-R257 PolarHBondContact O-N 3.45Å; E253-R257 IonicContact OE2-CZ 3.85Å; E253-R257 IonicContact OE2-NH1 3.18Å; E253-R257 IonicContact OE2-NH2 3.2Å; E253-R257 PolarHBondContact OE2-NH2 3.47Å; A254-R257 PolarHBondContact O-N 3.14Å; R257-K260 PolarHBondContact O-N 2.94Å; R257-M261 WeakPolarHBondContact O-CG 3.48Å; R257-M261 PolarHBondContact O-N 3.02Å
258R91.4Very high85.1Confident190 Ų190116.6 Ų116.672%0.71755%0.546SS*.Hα-helixtrans-60.3-47.6177.9-171.8176.4178.61730.8111.8A254 L255 V256 K260 M261 E262A254-R258 WeakPolarHBondContact O-CB 3.22Å; A254-R258 PolarHBondContact O-N 3.11Å; L255-R258 PolarHBondContact O-N 3.18Å; V256-R258 PolarHBondContact O-N 3.12Å; R258-K260 VanDerWaalsContact C-N 3.35Å; R258-K260 PolarHBondContact O-N 3.18Å; R258-M261 PolarHBondContact O-N 2.86Å; R258-E262 WeakPolarHBondContact O-CB 3.35Å; R258-E262 PolarHBondContact O-N 3.46Å
259K86.4Confident84.6Confident147 Ų147112.4 Ų112.464%0.63953%0.533SS*.Hα-helixtrans-63.5-38.2176.3-81.1-168.5174179.20112.8L255 V256 E262 L263L255-K259 PolarHBondContact O-N 2.91Å; V256-K259 PolarHBondContact O-N 3.23Å; K259-E262 PolarHBondContact O-N 2.8Å; K259-L263 WeakPolarHBondContact O-CB 3.42Å; K259-L263 WeakPolarHBondContact O-CG 3.42Å; K259-L263 PolarHBondContact O-N 2.67Å
260K87.3Confident83.8Confident142 Ų142113.4 Ų113.462%0.61754%0.538SS*.Hα-helixtrans-63.8-42.8176.5-172176.1-179.8178.50111.3V256 R257 R258 L263 L264V256-K260 WeakPolarHBondContact O-CB 3.43Å; V256-K260 PolarHBondContact O-N 3.31Å; R257-K260 PolarHBondContact O-N 2.94Å; R258-K260 VanDerWaalsContact C-N 3.35Å; R258-K260 PolarHBondContact O-N 3.18Å; K260-L263 PolarHBondContact O-N 3.25Å; K260-L264 HydrophobicContact CG-CD1 4.35Å; K260-L264 WeakPolarHBondContact O-CB 3.3Å; K260-L264 VanDerWaalsContact O-CG 3.31Å; K260-L264 WeakPolarHBondContact O-CG 3.45Å; K260-L264 PolarHBondContact O-N 3.33Å
261M84.9Confident83Confident110 Ų110112.9 Ų112.954%0.54254%0.542SS..Hα-helixtrans-64-43.4175.2-69.5-64.4-70.100111.7R257 R258 L263 L264 Q265R257-M261 WeakPolarHBondContact O-CG 3.48Å; R257-M261 PolarHBondContact O-N 3.02Å; R258-M261 PolarHBondContact O-N 2.86Å; M261-L263 PolarHBondContact O-N 3.28Å; M261-L264 PolarHBondContact O-N 2.86Å; M261-Q265 WeakPolarHBondContact O-CG 3.37Å; M261-Q265 PolarHBondContact O-N 2.99Å
262E85.3Confident82.4Confident83 Ų83113.2 Ų113.239%0.38855%0.545SS..Hα-helixtrans-64.1-39.9178.7-168.2-175.7167.200112.2R258 K259 Q265 K266R258-E262 WeakPolarHBondContact O-CB 3.35Å; R258-E262 PolarHBondContact O-N 3.46Å; K259-E262 PolarHBondContact O-N 2.8Å; E262-Q265 PolarHBondContact O-N 3.49Å; E262-K266 HydrophobicContact CG-CD 4.39Å; E262-K266 WeakPolarHBondContact O-CB 3.4Å; E262-K266 WeakPolarHBondContact O-CG 3.28Å; E262-K266 PolarHBondContact O-N 3.17Å; E262-K266 WeakPolarHBondContact OE1-CE 3.4Å; E262-K266 IonicContact OE1-NZ 3.72Å; E262-K266 PolarHBondContact OE1-NZ 2.9Å
263L83.2Confident81.9Confident100 Ų100111.4 Ų111.452%0.52454%0.536SS..Hα-helixtrans-67.5-39.7174.6-74.2172000112.1K259 K260 M261 Q265 K266 Y267K259-L263 WeakPolarHBondContact O-CB 3.42Å; K259-L263 WeakPolarHBondContact O-CG 3.42Å; K259-L263 PolarHBondContact O-N 2.67Å; K260-L263 PolarHBondContact O-N 3.25Å; M261-L263 PolarHBondContact O-N 3.28Å; L263-Q265 VanDerWaalsContact C-N 3.33Å; L263-K266 PolarHBondContact O-N 3.45Å; L263-Y267 HydrophobicContact CD2-CD2 3.96Å; L263-Y267 HydrophobicContact CD2-CE2 3.77Å; L263-Y267 WeakPolarHBondContact O-CB 3.47Å; L263-Y267 WeakPolarHBondContact O-CD2 3.49Å; L263-Y267 PolarHBondContact O-N 3.45Å
264L80.1Confident81.2Confident86 Ų86109 Ų10945%0.4554%0.535SS..Hα-helixtrans-63.3-39.8173.9-75.4169.5000111.5K260 M261 A268K260-L264 HydrophobicContact CG-CD1 4.35Å; K260-L264 WeakPolarHBondContact O-CB 3.3Å; K260-L264 VanDerWaalsContact O-CG 3.31Å; K260-L264 WeakPolarHBondContact O-CG 3.45Å; K260-L264 PolarHBondContact O-N 3.33Å; M261-L264 PolarHBondContact O-N 2.86Å; L264-A268 WeakPolarHBondContact O-CA 3.29Å; L264-A268 WeakPolarHBondContact O-CB 3.38Å; L264-A268 PolarHBondContact O-N 3.26Å
265Q77.6Confident80.6Confident142 Ų142112.5 Ų112.566%0.66454%0.542SS*.Hα-helixtrans-65.4-38.7174.8-75.5176.9-10.300112.5M261 E262 L263M261-Q265 WeakPolarHBondContact O-CG 3.37Å; M261-Q265 PolarHBondContact O-N 2.99Å; E262-Q265 PolarHBondContact O-N 3.49Å; L263-Q265 VanDerWaalsContact C-N 3.33Å
266K78.3Confident80Confident131 Ų131110.9 Ų110.957%0.5754%0.538SS*.Hα-helixtrans-77.5-31.5-177.8-74.2179.1-174.2174.10114E262 L263E262-K266 HydrophobicContact CG-CD 4.39Å; E262-K266 WeakPolarHBondContact O-CB 3.4Å; E262-K266 WeakPolarHBondContact O-CG 3.28Å; E262-K266 PolarHBondContact O-N 3.17Å; E262-K266 WeakPolarHBondContact OE1-CE 3.4Å; E262-K266 IonicContact OE1-NZ 3.72Å; E262-K266 PolarHBondContact OE1-NZ 2.9Å; L263-K266 PolarHBondContact O-N 3.45Å
267Y75.5Confident79.4Confident187 Ų187111.2 Ų111.273%0.73353%0.533SS*.Hα-helixtrans-124.6-9.8-167.7-65.4-76.5000115.1L263 S269L263-Y267 HydrophobicContact CD2-CD2 3.96Å; L263-Y267 HydrophobicContact CD2-CE2 3.77Å; L263-Y267 WeakPolarHBondContact O-CB 3.47Å; L263-Y267 WeakPolarHBondContact O-CD2 3.49Å; L263-Y267 PolarHBondContact O-N 3.45Å; Y267-S269 PolarHBondContact O-N 2.83Å
268A73.7Confident79Confident17 Ų17109.7 Ų109.714%0.1453%0.533CS..  trans-79.9123.4174.600000109.6L264 L272 Q273L264-A268 WeakPolarHBondContact O-CA 3.29Å; L264-A268 WeakPolarHBondContact O-CB 3.38Å; L264-A268 PolarHBondContact O-N 3.26Å; A268-L272 HydrophobicContact CB-CD2 4.31Å; A268-Q273 HydrophobicContact CB-CG 3.64Å
269S72Confident78.5Confident64 Ų64102.8 Ų102.845%0.44852%0.516SS..  trans-64148.3166.5620000109.7Y267 T271 L272 Q273Y267-S269 PolarHBondContact O-N 2.83Å; S269-T271 PolarHBondContact O-N 3.47Å; S269-T271 PolarHBondContact OG-OG1 3.5Å; S269-L272 WeakPolarHBondContact O-CB 3.22Å; S269-L272 PolarHBondContact O-N 2.87Å; S269-Q273 PolarHBondContact O-N 3.33Å
270E70.8Confident78.2Confident167 Ų167104 Ų10478%0.7852%0.517SS*.Hα-helixtrans-52-32.9179.1-65178.616800112.1Q273 A274E270-Q273 PolarHBondContact O-N 2.88Å; E270-A274 PolarHBondContact O-N 2.94Å; E270-A274 VanDerWaalsContact O-N 3.07Å
271T70.8Confident78Confident95 Ų95106.9 Ų106.958%0.58352%0.524SS*.Hα-helixtrans-65.3-37.6176.361.40000113.5S269 Q275S269-T271 PolarHBondContact O-N 3.47Å; S269-T271 PolarHBondContact OG-OG1 3.5Å; T271-Q275 WeakPolarHBondContact O-CG 3.33Å; T271-Q275 PolarHBondContact O-N 3.29Å
272L73.1Confident77.9Confident93 Ų93108.7 Ų108.749%0.48754%0.535SS..Hα-helixtrans-76.2-35.4-179.2-165.980.5000110.7A268 S269 S276A268-L272 HydrophobicContact CB-CD2 4.31Å; S269-L272 WeakPolarHBondContact O-CB 3.22Å; S269-L272 PolarHBondContact O-N 2.87Å; L272-S276 WeakPolarHBondContact O-CB 3.44Å; L272-S276 PolarHBondContact O-N 3.08Å
273Q73.4Confident77.6Confident70 Ų70110.9 Ų110.933%0.32755%0.549SS..Hα-helixtrans-64.3-47.6174.6-66.4-180-8.800110.6A268 S269 E270 Q275 S276 E277A268-Q273 HydrophobicContact CB-CG 3.64Å; S269-Q273 PolarHBondContact O-N 3.33Å; E270-Q273 PolarHBondContact O-N 2.88Å; Q273-Q275 PolarHBondContact O-N 3.36Å; Q273-S276 PolarHBondContact O-N 3.22Å; Q273-S276 VanDerWaalsContact O-N 3.12Å; Q273-S276 PolarHBondContact O-OG 3.45Å; Q273-E277 WeakPolarHBondContact O-CG 3.28Å; Q273-E277 PolarHBondContact O-N 3.34Å
274A77Confident76.8Confident55 Ų55109.4 Ų109.446%0.45556%0.558SS.*Hα-helixtrans-59.4-43.9177.300000113.1E270 S276 E277 E278E270-A274 PolarHBondContact O-N 2.94Å; E270-A274 VanDerWaalsContact O-N 3.07Å; A274-S276 VanDerWaalsContact C-N 3.33Å; A274-S276 PolarHBondContact O-N 2.94Å; A274-E277 PolarHBondContact O-N 3.22Å; A274-E278 WeakPolarHBondContact O-CB 3.41Å; A274-E278 PolarHBondContact O-N 2.92Å
275Q78.6Confident75.6Confident127 Ų127117.3 Ų117.359%0.59358%0.583SS**Hα-helixtrans-64.9-36.3175.8-73.7177.1-7.300112.4T271 Q273 A279T271-Q275 WeakPolarHBondContact O-CG 3.33Å; T271-Q275 PolarHBondContact O-N 3.29Å; Q273-Q275 PolarHBondContact O-N 3.36Å; Q275-A279 VanDerWaalsContact O-CB 3.31Å; Q275-A279 WeakPolarHBondContact O-CB 3.47Å; Q275-A279 PolarHBondContact O-N 3.36Å
276S77.3Confident75.5Confident61 Ų61116.1 Ų116.143%0.42758%0.579SS.*Hα-helixtrans-69.3-35.2177.279.20000112.8L272 Q273 A274 R280L272-S276 WeakPolarHBondContact O-CB 3.44Å; L272-S276 PolarHBondContact O-N 3.08Å; Q273-S276 PolarHBondContact O-N 3.22Å; Q273-S276 VanDerWaalsContact O-N 3.12Å; Q273-S276 PolarHBondContact O-OG 3.45Å; A274-S276 VanDerWaalsContact C-N 3.33Å; A274-S276 PolarHBondContact O-N 2.94Å; S276-R280 PolarHBondContact O-N 2.78Å
277E79.3Confident75.4Confident108 Ų108115.3 Ų115.351%0.50558%0.58SS.*Hα-helixtrans-71.2-40.6175.8-72.1179.6178.700111.7Q273 A274 R280 R281Q273-E277 WeakPolarHBondContact O-CG 3.28Å; Q273-E277 PolarHBondContact O-N 3.34Å; A274-E277 PolarHBondContact O-N 3.22Å; E277-R280 PolarHBondContact O-N 3.13Å; E277-R281 WeakPolarHBondContact O-CG 3.32Å; E277-R281 PolarHBondContact O-N 3.32Å
278E82.5Confident75.4Confident128 Ų128111.3 Ų111.360%0.59857%0.571SS**Hα-helixtrans-63.6-42.9173.8-168.4174-164.900111.4A274 R281 L282A274-E278 WeakPolarHBondContact O-CB 3.41Å; A274-E278 PolarHBondContact O-N 2.92Å; E278-R281 PolarHBondContact O-N 3.38Å; E278-L282 WeakPolarHBondContact O-CG 3.41Å; E278-L282 PolarHBondContact O-N 3.11Å
279A80.8Confident75.5Confident45 Ų45116.8 Ų116.837%0.37260%0.596SS.*Hα-helixtrans-63.4-40.2174.300000112.6Q275 L282 L283Q275-A279 VanDerWaalsContact O-CB 3.31Å; Q275-A279 WeakPolarHBondContact O-CB 3.47Å; Q275-A279 PolarHBondContact O-N 3.36Å; A279-L282 PolarHBondContact O-N 3.35Å; A279-L283 WeakPolarHBondContact O-CB 3.32Å; A279-L283 PolarHBondContact O-N 3.31Å
280R80.5Confident75.7Confident172 Ų172120.1 Ų120.165%0.64961%0.606SS**Hα-helixtrans-61.5-44.7173.5-88.8-176174.3169.1-2.1112S276 E277 L282 L283 G284 Y285S276-R280 PolarHBondContact O-N 2.78Å; E277-R280 PolarHBondContact O-N 3.13Å; R280-L282 VanDerWaalsContact C-N 3.31Å; R280-L282 PolarHBondContact O-N 3.41Å; R280-L283 CarbonylContact O-C 3.6Å; R280-L283 PolarHBondContact O-N 2.98Å; R280-G284 PolarHBondContact O-N 3.18Å; R280-G284 VanDerWaalsContact O-N 3.11Å; R280-Y285 PolarHBondContact O-N 3.24Å
281R83.4Confident76Confident203 Ų203117 Ų11777%0.76659%0.594SS**Hα-helixtrans-60.8-39176.2-74.8-179-173.4165.36112.4E277 E278 G284E277-R281 WeakPolarHBondContact O-CG 3.32Å; E277-R281 PolarHBondContact O-N 3.32Å; E278-R281 PolarHBondContact O-N 3.38Å; R281-G284 PolarHBondContact O-N 2.99Å
282L83.2Confident76.4Confident149 Ų149118.6 Ų118.678%0.7860%0.595SS**Hα-helixtrans-69.9-31.9176.5-73.7172000113.1E278 A279 R280 G284E278-L282 WeakPolarHBondContact O-CG 3.41Å; E278-L282 PolarHBondContact O-N 3.11Å; A279-L282 PolarHBondContact O-N 3.35Å; R280-L282 VanDerWaalsContact C-N 3.31Å; R280-L282 PolarHBondContact O-N 3.41Å; L282-G284 VanDerWaalsContact C-N 3.33Å
283L79Confident76.7Confident129 Ų129120.5 Ų120.568%0.67560%0.603SS**Hα-helixtrans-84.4-2.8178-83.4153.9000113.8A279 R280 Y285A279-L283 WeakPolarHBondContact O-CB 3.32Å; A279-L283 PolarHBondContact O-N 3.31Å; R280-L283 CarbonylContact O-C 3.6Å; R280-L283 PolarHBondContact O-N 2.98Å; L283-Y285 HydrophobicContact CB-CD2 4.17Å
284G65.9Low76.9Confident69 Ų69124.8 Ų124.871%0.71163%0.626SS**THydrogen-bonded Turntrans72.125.6173.100000115.2R280 R281 L282R280-G284 PolarHBondContact O-N 3.18Å; R280-G284 VanDerWaalsContact O-N 3.11Å; R281-G284 PolarHBondContact O-N 2.99Å; L282-G284 VanDerWaalsContact C-N 3.33Å
285Y55.7Low76.9Confident251 Ų251131.1 Ų131.198%0.98464%0.642SS**  trans-102.60171.3-71.9-79.9000112R280 L283R280-Y285 PolarHBondContact O-N 3.24Å; L283-Y285 HydrophobicContact CB-CD2 4.17Å

Retrieved 285 of 285 residues in 97 ms (Link to these results)

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