O18501_SCHMA Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession O18501, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SmLPLH, Length 239 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
1M45Very low51.3Low254 Ų254109 Ų109100%1.25165%0.651SS**  0105.50-65.6177.9-16800107
2G43.6Very low51.9Low85 Ų85109.8 Ų109.888%0.87665%0.65SS**  trans-179.832.8-172.600000117.7
3S51.8Low52.6Low101 Ų101112 Ų11271%0.70665%0.652SS**SBendtrans-128.811176.588.50000115.4
4S53Low53.7Low83 Ų83108.1 Ų108.158%0.5864%0.64SS**SBendtrans-94.3-20.5-177.452.70000114.5I8S4-I8 WeakPolarHBondContact O-CG1 3.4Å
5I50.4Low55.2Low143 Ų143106.3 Ų106.373%0.73363%0.626SS**Hα-helixtrans-80.9-36.3-174.5-60.6174.3000111.9S9I5-S9 PolarHBondContact O-N 3.03Å
6S55.4Low57.5Low68 Ų68109.4 Ų109.448%0.47663%0.629SS.*Hα-helixtrans-68-40.7-179.661.40000112.6I8 S9 E10S6-I8 PolarHBondContact O-N 3.1Å; S6-S9 PolarHBondContact O-N 3.35Å; S6-S9 PolarHBondContact O-OG 2.72Å; S6-E10 PolarHBondContact O-N 3.45Å; S6-E10 VanDerWaalsContact O-N 3.07Å
7C48.7Very low59.8Low67 Ų67106.9 Ų106.945%0.45361%0.613SS.*Hα-helixtrans-65.7-36.8-178.2-161.90000112.2E10 I11C7-E10 PolarHBondContact O-N 2.88Å; C7-I11 VanDerWaalsContact O-CG1 3.31Å; C7-I11 WeakPolarHBondContact O-CG1 3.29Å; C7-I11 PolarHBondContact O-N 2.67Å; C7-I11 VanDerWaalsContact O-N 3.14Å
8I49.2Very low61.9Low115 Ų115102.4 Ų102.459%0.5959%0.586SS**Hα-helixtrans-65.2-41.9175.4-64.6171.2000110.4S4 S6 I11 D12S4-I8 WeakPolarHBondContact O-CG1 3.4Å; S6-I8 PolarHBondContact O-N 3.1Å; I8-I11 PolarHBondContact O-N 2.75Å; I8-D12 PolarHBondContact O-N 2.71Å
9S58.6Low63.8Low58 Ų58101.8 Ų101.841%0.40659%0.587SS.*Hα-helixtrans-68.3-33.6179.665.20000114I5 S6 M13I5-S9 PolarHBondContact O-N 3.03Å; S6-S9 PolarHBondContact O-N 3.35Å; S6-S9 PolarHBondContact O-OG 2.72Å; S9-M13 PolarHBondContact O-N 3Å
10E51.8Low65.5Low129 Ų12998.4 Ų98.460%0.60357%0.571SS**Hα-helixtrans-71.2-40176.1-75.5177.7178.900111.7S6 C7 M13 A14S6-E10 PolarHBondContact O-N 3.45Å; S6-E10 VanDerWaalsContact O-N 3.07Å; C7-E10 PolarHBondContact O-N 2.88Å; E10-M13 PolarHBondContact O-N 3.07Å; E10-A14 VanDerWaalsContact O-CB 3.31Å; E10-A14 WeakPolarHBondContact O-CB 3.33Å; E10-A14 PolarHBondContact O-N 2.8Å
11I56.7Low67.1Low96 Ų9694 Ų9449%0.49255%0.547SS..Hα-helixtrans-65.2-39.9174.9-67.4168.1000111.1C7 I8 A14 N15C7-I11 VanDerWaalsContact O-CG1 3.31Å; C7-I11 WeakPolarHBondContact O-CG1 3.29Å; C7-I11 PolarHBondContact O-N 2.67Å; C7-I11 VanDerWaalsContact O-N 3.14Å; I8-I11 PolarHBondContact O-N 2.75Å; I11-A14 PolarHBondContact O-N 3.4Å; I11-N15 WeakPolarHBondContact O-CB 3.4Å; I11-N15 PolarHBondContact O-N 3.34Å; I11-N15 VanDerWaalsContact O-N 3.11Å; I11-N15 PolarHBondContact O-ND2 3.5Å
12D59.1Low69.7Low118 Ų11886.1 Ų86.163%0.63151%0.512SS*.Hα-helixtrans-67.9-39177.8-119.7-0.7000111.7I8 N15 K16I8-D12 PolarHBondContact O-N 2.71Å; D12-N15 PolarHBondContact O-N 2.78Å; D12-K16 PolarHBondContact O-N 2.9Å; D12-K16 VanDerWaalsContact O-N 3.15Å
13M60.3Low72.3Confident139 Ų13983.6 Ų83.669%0.68548%0.48SS*.Hα-helixtrans-67.7-41.6173.4-86.7-159.1-8200112.4S9 E10 N15 K16S9-M13 PolarHBondContact O-N 3Å; E10-M13 PolarHBondContact O-N 3.07Å; M13-N15 PolarHBondContact O-N 3.32Å; M13-K16 WeakPolarHBondContact O-CB 3.26Å; M13-K16 PolarHBondContact O-N 2.95Å
14A68.4Low74.5Confident57 Ų5782.2 Ų82.247%0.47148%0.475SS..Hα-helixtrans-62-32.1178.400000112.3E10 I11 K107E10-A14 VanDerWaalsContact O-CB 3.31Å; E10-A14 WeakPolarHBondContact O-CB 3.33Å; E10-A14 PolarHBondContact O-N 2.8Å; I11-A14 PolarHBondContact O-N 3.4Å; A14-K107 WeakPolarHBondContact O-CE 3.44Å; A14-K107 PolarHBondContact O-NZ 3.1Å
15N76.8Confident76.6Confident82 Ų8279.6 Ų79.644%0.43946%0.456SS..THydrogen-bonded Turntrans-93.80.2179.4-70.9-50.6000114.4I11 D12 M13 L17I11-N15 WeakPolarHBondContact O-CB 3.4Å; I11-N15 PolarHBondContact O-N 3.34Å; I11-N15 VanDerWaalsContact O-N 3.11Å; I11-N15 PolarHBondContact O-ND2 3.5Å; D12-N15 PolarHBondContact O-N 2.78Å; M13-N15 PolarHBondContact O-N 3.32Å; N15-L17 PolarHBondContact O-N 2.89Å
16K91.8Very high78.7Confident156 Ų15678.8 Ų78.868%0.67844%0.444SS*.PPolyproline II helixtrans-65.1125.2177.9-174.2178.4177.1-177.40109.8D12 M13D12-K16 PolarHBondContact O-N 2.9Å; D12-K16 VanDerWaalsContact O-N 3.15Å; M13-K16 WeakPolarHBondContact O-CB 3.26Å; M13-K16 PolarHBondContact O-N 2.95Å
17L96.9Very high80.6Confident67 Ų6778.3 Ų78.335%0.35144%0.441SS..PPolyproline II helixtrans-69.7142.8174.5-62.7178000110.8N15 K107 F108 A111N15-L17 PolarHBondContact O-N 2.89Å; L17-K107 HydrophobicContact CD2-CB 3.62Å; L17-F108 HydrophobicContact CB-CE1 3.96Å; L17-F108 HydrophobicContact CB-CZ 4.03Å; L17-F108 HydrophobicContact CD1-CD1 4.07Å; L17-F108 HydrophobicContact CD1-CE1 4.11Å; L17-F108 HydrophobicContact CD2-CD1 3.91Å; L17-F108 HydrophobicContact CD2-CD2 4.18Å; L17-F108 HydrophobicContact CD2-CE1 4.09Å; L17-F108 HydrophobicContact CD2-CE2 4.32Å; L17-F108 HydrophobicContact CD2-CG 3.96Å; L17-F108 HydrophobicContact CD2-CZ 4.29Å; L17-F108 HydrophobicContact CG-CD1 4.42Å; L17-F108 HydrophobicContact CG-CE1 4.28Å; L17-A111 HydrophobicContact CD1-CB 3.93Å
18L97.6Very high82.9Confident26 Ų2682.8 Ų82.814%0.13645%0.452CS..PPolyproline II helixtrans-59.4153.5164.6-64.3175.3000110W81 E104 F108L18-W81 HydrophobicContact CD1-CZ3 3.99Å; L18-E104 HydrophobicContact CD1-CB 4.42Å; L18-E104 HydrophobicContact CD1-CG 4.32Å; L18-F108 HydrophobicContact CB-CE2 4.31Å; L18-F108 HydrophobicContact CB-CZ 4.08Å; L18-F108 WeakPolarHBondContact O-CZ 3.36Å
19P97.7Very high85.1Confident91 Ų9180.4 Ų80.459%0.59144%0.439SS*.PPolyproline II helixtrans-53.2143.9167.6-24.435.5000110.5H64P19-H64 VanDerWaalsContact C-CD2 3.47Å; P19-H64 WeakPolarHBondContact O-CB 3.4Å; P19-H64 PolarHBondContact O-CD2 3.11Å; P19-H64 VanDerWaalsContact O-CD2 3.3Å; P19-H64 PolarHBondContact O-N 3.27Å
20A98.4Very high87Confident32 Ų3278.3 Ų78.326%0.26442%0.424SS..EExtended strand (participates in β ladder)trans-144.5145.118000000110.8V22 I61 C62 P63 F108A20-V22 HydrophobicContact CB-CG2 4.24Å; A20-I61 HydrophobicContact CB-CG2 3.93Å; A20-C62 WeakPolarHBondContact CA-O 3.43Å; A20-P63 HydrophobicContact CB-CB 4.43Å; A20-F108 HydrophobicContact CB-CE1 4Å; A20-F108 HydrophobicContact CB-CZ 4.4Å
21A98.4Very high89.2Confident8 Ų872.1 Ų72.17%0.06640%0.395CS..EExtended strand (participates in β ladder)trans-76.2124162.100000108.2C62 H64A21-C62 HydrophobicContact CB-CB 4.37Å; A21-C62 PolarHBondContact N-O 3.12Å; A21-C62 PolarHBondContact O-N 3.19Å; A21-H64 PolarHBondContact N-NE2 2.88Å
22V98.4Very high91.2Very high87 Ų8767.6 Ų67.653%0.52737%0.372SS..EExtended strand (participates in β ladder)trans-121.2125.1-177.7-178.10000109.6A20 K59 I60 I61A20-V22 HydrophobicContact CB-CG2 4.24Å; V22-K59 HydrophobicContact CG1-CD 4.1Å; V22-K59 HydrophobicContact CG1-CG 4.2Å; V22-I60 WeakPolarHBondContact CA-O 3.33Å; V22-I61 HydrophobicContact CG2-CG2 4.46Å
23V98.3Very high93.1Very high33 Ų3362 Ų6220%0.234%0.342CS..EExtended strand (participates in β ladder)trans-107.1115.3171.1-175.90000107.4K51 K59 I60V23-K51 HydrophobicContact CG1-CB 4.09Å; V23-K51 HydrophobicContact CG2-CB 4.43Å; V23-K59 WeakPolarHBondContact O-CG 3.24Å; V23-I60 HydrophobicContact CB-CB 4.1Å; V23-I60 HydrophobicContact CB-CD1 4.28Å; V23-I60 HydrophobicContact CB-CG1 4.47Å; V23-I60 PolarHBondContact N-O 3.05Å; V23-I60 PolarHBondContact O-N 3.03Å
24A97.8Very high94.9Very high72 Ų7255.3 Ų55.360%0.59531%0.309SS*.  trans-61.9149.217500000110.8
25S97Very high96.4Very high28 Ų2852.6 Ų52.620%0.19629%0.287CS..  trans-60.2143.6170.362.20000110.1S27 H29 D56 F58S25-S27 WeakPolarHBondContact CB-O 3.44Å; S25-S27 PolarHBondContact OG-O 3.45Å; S25-H29 WeakPolarHBondContact OG-CA 3.5Å; S25-H29 VanDerWaalsContact OG-CB 3.29Å; S25-H29 WeakPolarHBondContact OG-CB 3.39Å; S25-H29 PolarHBondContact OG-N 2.96Å; S25-D56 CarbonylContact C-O 3.57Å; S25-D56 WeakPolarHBondContact CB-O 3.41Å; S25-F58 VanDerWaalsContact CA-O 3.26Å; S25-F58 WeakPolarHBondContact CA-O 3.37Å; S25-F58 WeakPolarHBondContact CB-O 3.35Å
26R95.9Very high97.4Very high125 Ų12548.8 Ų48.847%0.47227%0.266SS..SBendtrans-82.3-20178.1-68-178-67.8-85.51.9112.5K51 V54 D56R26-K51 PolarHBondContact NH1-O 2.79Å; R26-K51 PolarHBondContact NH2-O 2.62Å; R26-V54 PolarHBondContact NH2-O 2.61Å; R26-D56 HydrophobicContact CB-CB 4.06Å; R26-D56 IonicContact CZ-OD1 3.13Å; R26-D56 PolarHBondContact N-O 3.38Å; R26-D56 IonicContact NE-OD1 2.78Å; R26-D56 PolarHBondContact NE-OD1 3.12Å; R26-D56 IonicContact NH2-OD1 2.67Å; R26-D56 PolarHBondContact NH2-OD1 2.85Å
27S95.4Very high97.7Very high58 Ų5841.4 Ų41.441%0.40623%0.234SC..SBendtrans-121.5-166.5169.570.10000110.4S25 H29 D56 Y57S25-S27 WeakPolarHBondContact CB-O 3.44Å; S25-S27 PolarHBondContact OG-O 3.45Å; S27-H29 PolarHBondContact O-N 2.95Å; S27-H29 VanDerWaalsContact O-N 3.1Å; S27-D56 PolarHBondContact N-O 3.45Å; S27-D56 PolarHBondContact OG-O 2.83Å; S27-Y57 WeakPolarHBondContact OG-CA 3.14Å; S27-Y57 WeakPolarHBondContact OG-CB 3.38Å; S27-Y57 PolarHBondContact OG-N 2.85Å
28K95.6Very high97.8Very high162 Ų16238.4 Ų38.470%0.70422%0.219SC*.SBendtrans-55.9118.1178.5-176.5-179.6177.7-174.30109.9S30K28-S30 PolarHBondContact O-N 3.15Å; K28-S30 VanDerWaalsContact O-N 3.12Å
29H97Very high97.8Very high65 Ų6539.3 Ų39.330%0.30122%0.224SC..  trans-60.9113.9179.4-177.6-155.2000110S25 S27 A31 T32 K59 E112 V117S25-H29 WeakPolarHBondContact OG-CA 3.5Å; S25-H29 VanDerWaalsContact OG-CB 3.29Å; S25-H29 WeakPolarHBondContact OG-CB 3.39Å; S25-H29 PolarHBondContact OG-N 2.96Å; S27-H29 PolarHBondContact O-N 2.95Å; S27-H29 VanDerWaalsContact O-N 3.1Å; H29-A31 PolarHBondContact CD2-O 3.17Å; H29-A31 PolarHBondContact NE2-O 3.47Å; H29-T32 PolarHBondContact CE1-OG1 3.38Å; H29-T32 PolarHBondContact NE2-OG1 3.36Å; H29-K59 WeakPolarHBondContact NE2-CB 3.24Å; H29-E112 IonicContact CE1-OE2 3.32Å; H29-E112 IonicContact NE2-OE2 2.73Å; H29-V117 WeakPolarHBondContact CE1-CG2 3Å
30S96.8Very high97.7Very high13 Ų1337 Ų379%0.09122%0.216CC..  trans-131.9-8.9177.672.10000113.5K28 Y57 N121K28-S30 PolarHBondContact O-N 3.15Å; K28-S30 VanDerWaalsContact O-N 3.12Å; S30-Y57 PolarHBondContact N-O 2.86Å; S30-Y57 WeakPolarHBondContact OG-CD2 3.44Å; S30-N121 WeakPolarHBondContact O-CB 3.38Å; S30-N121 PolarHBondContact O-ND2 3.26Å
31A98.5Very high97.6Very high0 Ų038.1 Ų38.10%022%0.218CC..EExtended strand (participates in β ladder)trans-145.2158.5179.200000111.1H29 Y57 F58 K59 N121 I235H29-A31 PolarHBondContact CD2-O 3.17Å; H29-A31 PolarHBondContact NE2-O 3.47Å; A31-Y57 HydrophobicContact CB-CD2 4.09Å; A31-Y57 HydrophobicContact CB-CE2 4.32Å; A31-Y57 PolarHBondContact N-O 2.84Å; A31-F58 HydrophobicContact CB-CD1 3.81Å; A31-F58 HydrophobicContact CB-CD2 3.69Å; A31-F58 HydrophobicContact CB-CE1 3.75Å; A31-F58 HydrophobicContact CB-CE2 3.65Å; A31-F58 HydrophobicContact CB-CG 3.78Å; A31-F58 HydrophobicContact CB-CZ 3.68Å; A31-F58 CarbonylContact O-C 3.57Å; A31-F58 VanDerWaalsContact O-CA 3.24Å; A31-F58 WeakPolarHBondContact O-CA 3.35Å; A31-K59 PolarHBondContact O-N 2.84Å; A31-N121 CarbonylContact C-O 3.17Å; A31-N121 VanDerWaalsContact CA-O 3.24Å; A31-N121 WeakPolarHBondContact CA-O 2.85Å; A31-N121 HydrophobicContact CB-CB 4.2Å; A31-N121 WeakPolarHBondContact CB-O 3.45Å; A31-I235 HydrophobicContact CB-CG2 3.8Å
32T98.7Very high97.4Very high0 Ų040.6 Ų40.60%023%0.232CC..EExtended strand (participates in β ladder)trans-134.4136176.8-600000110.8H29 I34 K59 I61 E112 N121 I122 V123H29-T32 PolarHBondContact CE1-OG1 3.38Å; H29-T32 PolarHBondContact NE2-OG1 3.36Å; T32-I34 HydrophobicContact CG2-CG1 4.03Å; T32-K59 CarbonylContact C-O 3.54Å; T32-K59 WeakPolarHBondContact CA-O 3.43Å; T32-K59 HydrophobicContact CG2-CB 4.41Å; T32-I61 HydrophobicContact CG2-CD1 3.92Å; T32-I61 HydrophobicContact CG2-CG1 4.06Å; T32-E112 WeakPolarHBondContact CB-OE2 3.47Å; T32-E112 HydrophobicContact CG2-CG 3.88Å; T32-E112 WeakPolarHBondContact CG2-OE2 3.34Å; T32-E112 PolarHBondContact OG1-OE2 2.86Å; T32-N121 PolarHBondContact N-O 3Å; T32-I122 WeakPolarHBondContact O-CA 3.46Å; T32-V123 PolarHBondContact O-N 2.97Å
33L98.9Very high97.3Very high0 Ų036.4 Ų36.40%021%0.207CC..EExtended strand (participates in β ladder)trans-104.1119.1165.1174.363.3000108.5F35 L50 V54 F58 K59 I60 I61 V123L33-F35 HydrophobicContact CD1-CD2 4.49Å; L33-F35 HydrophobicContact CD2-CD2 4.41Å; L33-F35 HydrophobicContact CG-CB 4.28Å; L33-L50 HydrophobicContact CD2-CD1 4.19Å; L33-L50 HydrophobicContact CD2-CD2 4.09Å; L33-V54 HydrophobicContact CD2-CG2 3.69Å; L33-F58 HydrophobicContact CB-CD1 4.05Å; L33-K59 PolarHBondContact N-O 3.3Å; L33-I60 WeakPolarHBondContact O-CA 3.35Å; L33-I61 PolarHBondContact O-N 2.81Å; L33-V123 WeakPolarHBondContact CA-O 3.37Å; L33-V123 HydrophobicContact CD1-CB 3.87Å; L33-V123 HydrophobicContact CD1-CG1 3.62Å
34I98.9Very high97.2Very high0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-102.4112.5169.6-52.8165.7000107.4T32 I61 P63 L105 F108 V109 E112 I122 V123 I124 G125T32-I34 HydrophobicContact CG2-CG1 4.03Å; I34-I61 CarbonylContact C-O 3.51Å; I34-I61 WeakPolarHBondContact CA-O 3.32Å; I34-I61 HydrophobicContact CG1-CB 4.39Å; I34-I61 HydrophobicContact CG1-CD1 4.42Å; I34-P63 HydrophobicContact CG2-CG 4.18Å; I34-L105 HydrophobicContact CB-CD1 4.17Å; I34-L105 HydrophobicContact CG2-CD1 3.52Å; I34-F108 HydrophobicContact CD1-CB 3.84Å; I34-F108 HydrophobicContact CG1-CB 4.5Å; I34-F108 HydrophobicContact CG2-CB 4.12Å; I34-V109 HydrophobicContact CD1-CB 4.4Å; I34-V109 HydrophobicContact CD1-CG2 3.69Å; I34-E112 HydrophobicContact CD1-CG 4.42Å; I34-I122 HydrophobicContact CD1-CG2 4.07Å; I34-V123 PolarHBondContact N-O 3.48Å; I34-I124 HydrophobicContact CB-CG2 4.48Å; I34-I124 HydrophobicContact CD1-CG2 4.5Å; I34-I124 CarbonylContact O-C 3.55Å; I34-I124 WeakPolarHBondContact O-CA 3.5Å; I34-G125 PolarHBondContact O-N 3.05Å
35F98.9Very high96.9Very high0 Ų038.3 Ų38.30%021%0.211CC..EExtended strand (participates in β ladder)trans-121.2118.4-171.5-164.2-79.1000111.9L33 W46 L50 I61 C62 G125 F127 V149 F151L33-F35 HydrophobicContact CD1-CD2 4.49Å; L33-F35 HydrophobicContact CD2-CD2 4.41Å; L33-F35 HydrophobicContact CG-CB 4.28Å; F35-W46 HydrophobicContact CD1-CB 3.98Å; F35-W46 AromaticContact CD1-CD2 3.99Å; F35-W46 HydrophobicContact CD1-CD2 3.99Å; F35-W46 HydrophobicContact CD1-CE3 4.06Å; F35-W46 AromaticContact CD1-CG 3.92Å; F35-W46 HydrophobicContact CD1-CG 3.92Å; F35-W46 HydrophobicContact CE1-CB 4.22Å; F35-W46 AromaticContact CE1-CD2 3.3Å; F35-W46 HydrophobicContact CE1-CD2 3.3Å; F35-W46 AromaticContact CE1-CE2 3.94Å; F35-W46 AromaticContact CE1-CE3 3.28Å; F35-W46 HydrophobicContact CE1-CE3 3.28Å; F35-W46 AromaticContact CE1-CG 3.7Å; F35-W46 HydrophobicContact CE1-CG 3.7Å; F35-W46 HydrophobicContact CE1-CH2 4.43Å; F35-W46 HydrophobicContact CE1-CZ2 4.49Å; F35-W46 AromaticContact CE1-CZ3 3.86Å; F35-W46 HydrophobicContact CE1-CZ3 3.86Å; F35-W46 HydrophobicContact CZ-CD2 4.03Å; F35-W46 AromaticContact CZ-CE3 3.55Å; F35-W46 HydrophobicContact CZ-CE3 3.55Å; F35-W46 HydrophobicContact CZ-CH2 4.31Å; F35-W46 AromaticContact CZ-CZ3 3.68Å; F35-W46 HydrophobicContact CZ-CZ3 3.68Å; F35-L50 HydrophobicContact CB-CD1 3.7Å; F35-L50 HydrophobicContact CD1-CD1 3.97Å; F35-L50 HydrophobicContact CD2-CD1 3.89Å; F35-L50 HydrophobicContact CD2-CD2 4.39Å; F35-L50 HydrophobicContact CE2-CD2 4.48Å; F35-L50 HydrophobicContact CG-CD1 3.58Å; F35-I61 PolarHBondContact N-O 2.82Å; F35-C62 WeakPolarHBondContact O-CA 3.42Å; F35-G125 CarbonylContact C-O 3.49Å; F35-G125 WeakPolarHBondContact CA-O 3.39Å; F35-F127 HydrophobicContact CE1-CB 3.95Å; F35-F127 HydrophobicContact CZ-CB 4.07Å; F35-V149 HydrophobicContact CE2-CG1 4.11Å; F35-F151 HydrophobicContact CE2-CD2 4.41Å; F35-F151 HydrophobicContact CZ-CG 4.46Å
36L98.9Very high96.9Very high2 Ų237.8 Ų37.81%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-92.6130.1-178.9-56.2-173.8000111.2P63 W81 L105 G125 G126 F127 G130 V133L36-P63 HydrophobicContact CD2-CB 4.19Å; L36-P63 HydrophobicContact CD2-CG 3.89Å; L36-W81 HydrophobicContact CB-CZ2 3.96Å; L36-W81 HydrophobicContact CD1-CD2 4.5Å; L36-W81 HydrophobicContact CD2-CH2 3.82Å; L36-W81 HydrophobicContact CD2-CZ2 3.72Å; L36-W81 HydrophobicContact CD2-CZ3 4.37Å; L36-W81 HydrophobicContact CG-CZ2 4.29Å; L36-L105 HydrophobicContact CD1-CB 4.3Å; L36-L105 HydrophobicContact CD1-CD1 4.34Å; L36-L105 HydrophobicContact CD1-CD2 4.05Å; L36-L105 HydrophobicContact CD1-CG 4.47Å; L36-L105 HydrophobicContact CD2-CD1 4.29Å; L36-L105 HydrophobicContact CG-CD1 4.39Å; L36-G125 PolarHBondContact N-O 3.21Å; L36-G126 CarbonylContact O-C 3.26Å; L36-G126 WeakPolarHBondContact O-CA 3.45Å; L36-F127 PolarHBondContact O-N 3.09Å; L36-G130 VanDerWaalsContact CB-CA 3.47Å; L36-V133 HydrophobicContact CD1-CB 3.73Å; L36-V133 HydrophobicContact CD1-CG1 3.56Å
37H98.6Very high97Very high1 Ų132.1 Ų32.11%0.00518%0.184CC..  trans-75.1168.2179.965.979.6000112.9D41 G43 W46 P63 A65 W81 G130H37-D41 HydrophobicContact CB-CB 4.12Å; H37-D41 PolarHBondContact CE1-O 3.27Å; H37-D41 PolarHBondContact ND1-O 3.23Å; H37-G43 PolarHBondContact CD2-N 2.96Å; H37-W46 HydrophobicContact CB-CG 4.48Å; H37-P63 PolarHBondContact CD2-O 3.44Å; H37-A65 PolarHBondContact NE2-N 3.14Å; H37-W81 AromaticContact CD2-CZ2 3.85Å; H37-W81 AromaticContact NE2-CZ2 3.79Å; H37-W81 PolarHBondContact O-NE1 3.39Å; H37-G130 WeakPolarHBondContact O-CA 3.38Å; H37-G130 PolarHBondContact O-N 3.02Å
38G98.2Very high97Very high3 Ų333.3 Ų33.33%0.03119%0.186CC..  trans-79.7174.7174.300000113.8G40 D41 F127G38-G40 PolarHBondContact O-N 3.43Å; G38-D41 WeakPolarHBondContact O-CB 3.45Å; G38-D41 PolarHBondContact O-N 3.4Å; G38-F127 WeakPolarHBondContact CA-O 3.5Å; G38-F127 PolarHBondContact N-O 2.73Å
39L97.8Very high97Very high46 Ų4627.3 Ų27.324%0.24117%0.167CC..THydrogen-bonded Turntrans-54.1131177.6173.465.1000111.6D41 V70 M78 A80 I84L39-D41 PolarHBondContact O-N 3.02Å; L39-V70 HydrophobicContact CD1-CG1 4.17Å; L39-V70 HydrophobicContact CD1-CG2 3.88Å; L39-V70 HydrophobicContact CD2-CG1 4.27Å; L39-M78 HydrophobicContact CD1-CG 4.04Å; L39-M78 HydrophobicContact CD1-SD 3.86Å; L39-M78 HydrophobicContact CG-SD 4.12Å; L39-A80 HydrophobicContact CD1-CB 3.57Å; L39-I84 HydrophobicContact CD2-CD1 4.29Å
40G95.8Very high97Very high41 Ų4124.2 Ų24.242%0.42315%0.153SC..THydrogen-bonded Turntrans78.3-9.417600000115.6G38 P79G38-G40 PolarHBondContact O-N 3.43Å; G40-P79 PolarHBondContact N-O 2.66Å
41D95.8Very high97Very high57 Ų5727.2 Ų27.231%0.30516%0.164SC..  trans-87-175.6179.6-163.52.9000111.6H37 G38 L39 W46 P79H37-D41 HydrophobicContact CB-CB 4.12Å; H37-D41 PolarHBondContact CE1-O 3.27Å; H37-D41 PolarHBondContact ND1-O 3.23Å; G38-D41 WeakPolarHBondContact O-CB 3.45Å; G38-D41 PolarHBondContact O-N 3.4Å; L39-D41 PolarHBondContact O-N 3.02Å; D41-W46 PolarHBondContact OD2-NE1 3.09Å; D41-P79 WeakPolarHBondContact O-CB 3.2Å
42T95.1Very high96.9Very high59 Ų5933.3 Ų33.336%0.36219%0.192SC..  trans-134.4158.6174.473.50000110.9H44 G45T42-H44 PolarHBondContact O-N 2.99Å; T42-H44 VanDerWaalsContact O-N 3.1Å; T42-H44 PolarHBondContact OG1-N 3.06Å; T42-G45 PolarHBondContact O-N 3.4Å
43G95.9Very high96.8Very high0 Ų035.7 Ų35.70%020%0.202CC..Hα-helixtrans-56.3-21171.200000116H37 S47 C62 H64H37-G43 PolarHBondContact CD2-N 2.96Å; G43-S47 WeakPolarHBondContact O-CB 3.46Å; G43-S47 PolarHBondContact O-N 3.12Å; G43-S47 PolarHBondContact O-OG 3.38Å; G43-C62 WeakPolarHBondContact CA-O 3.41Å; G43-C62 WeakPolarHBondContact O-CB 3.39Å; G43-H64 PolarHBondContact N-CE1 2.98Å; G43-H64 PolarHBondContact N-ND1 3.32Å
44H96.3Very high96.8Very high107 Ų10735.7 Ų35.750%0.49520%0.202SC..Hα-helixtrans-68.6-41.8178.3-69.8100.2000112.1T42 W46 S47 D48 H64T42-H44 PolarHBondContact O-N 2.99Å; T42-H44 VanDerWaalsContact O-N 3.1Å; T42-H44 PolarHBondContact OG1-N 3.06Å; H44-W46 VanDerWaalsContact C-N 3.29Å; H44-W46 PolarHBondContact O-N 3.04Å; H44-S47 PolarHBondContact O-N 3.2Å; H44-S47 PolarHBondContact O-OG 2.97Å; H44-S47 VanDerWaalsContact O-OG 3.12Å; H44-D48 WeakPolarHBondContact O-CB 3.42Å; H44-D48 PolarHBondContact O-N 3.29Å; H44-H64 AromaticContact CE1-CE1 3.55Å; H44-H64 AromaticContact CE1-NE2 3.49Å; H44-H64 PolarHBondContact CE1-NE2 3.44Å; H44-H64 AromaticContact ND1-CE1 3.3Å; H44-H64 PolarHBondContact ND1-CE1 3.35Å; H44-H64 VanDerWaalsContact ND1-CE1 3.3Å; H44-H64 AromaticContact ND1-NE2 3.74Å
45G91.2Very high96.7Very high38 Ų3836 Ų3639%0.39220%0.204SC..Hα-helixtrans-58.7-43.8179.900000111.9T42 A49T42-G45 PolarHBondContact O-N 3.4Å; G45-A49 PolarHBondContact O-N 2.62Å
46W97.2Very high96.6Very high16 Ų1639.7 Ų39.76%0.06122%0.223CC..Hα-helixtrans-77-38.2178.9-76.292.7000113.9F35 H37 D41 H44 D48 A49 L50 F127 F151F35-W46 HydrophobicContact CD1-CB 3.98Å; F35-W46 AromaticContact CD1-CD2 3.99Å; F35-W46 HydrophobicContact CD1-CD2 3.99Å; F35-W46 HydrophobicContact CD1-CE3 4.06Å; F35-W46 AromaticContact CD1-CG 3.92Å; F35-W46 HydrophobicContact CD1-CG 3.92Å; F35-W46 HydrophobicContact CE1-CB 4.22Å; F35-W46 AromaticContact CE1-CD2 3.3Å; F35-W46 HydrophobicContact CE1-CD2 3.3Å; F35-W46 AromaticContact CE1-CE2 3.94Å; F35-W46 AromaticContact CE1-CE3 3.28Å; F35-W46 HydrophobicContact CE1-CE3 3.28Å; F35-W46 AromaticContact CE1-CG 3.7Å; F35-W46 HydrophobicContact CE1-CG 3.7Å; F35-W46 HydrophobicContact CE1-CH2 4.43Å; F35-W46 HydrophobicContact CE1-CZ2 4.49Å; F35-W46 AromaticContact CE1-CZ3 3.86Å; F35-W46 HydrophobicContact CE1-CZ3 3.86Å; F35-W46 HydrophobicContact CZ-CD2 4.03Å; F35-W46 AromaticContact CZ-CE3 3.55Å; F35-W46 HydrophobicContact CZ-CE3 3.55Å; F35-W46 HydrophobicContact CZ-CH2 4.31Å; F35-W46 AromaticContact CZ-CZ3 3.68Å; F35-W46 HydrophobicContact CZ-CZ3 3.68Å; H37-W46 HydrophobicContact CB-CG 4.48Å; D41-W46 PolarHBondContact OD2-NE1 3.09Å; H44-W46 VanDerWaalsContact C-N 3.29Å; H44-W46 PolarHBondContact O-N 3.04Å; W46-D48 VanDerWaalsContact C-N 3.27Å; W46-D48 PolarHBondContact O-N 3.35Å; W46-A49 PolarHBondContact O-N 3.3Å; W46-L50 HydrophobicContact CB-CD1 4.24Å; W46-L50 HydrophobicContact CE3-CG 4.46Å; W46-L50 VanDerWaalsContact O-CB 3.23Å; W46-L50 WeakPolarHBondContact O-CB 3.43Å; W46-L50 WeakPolarHBondContact O-CD1 3.39Å; W46-L50 WeakPolarHBondContact O-CG 3.32Å; W46-L50 PolarHBondContact O-N 3.49Å; W46-F127 HydrophobicContact CD2-CB 4.41Å; W46-F127 AromaticContact CE2-CG 3.93Å; W46-F127 HydrophobicContact CH2-CB 3.68Å; W46-F127 AromaticContact CH2-CD2 3.59Å; W46-F127 HydrophobicContact CH2-CD2 3.59Å; W46-F127 HydrophobicContact CH2-CE2 4.38Å; W46-F127 AromaticContact CH2-CG 3.71Å; W46-F127 HydrophobicContact CH2-CG 3.71Å; W46-F127 HydrophobicContact CZ2-CB 3.21Å; W46-F127 AromaticContact CZ2-CD1 3.65Å; W46-F127 HydrophobicContact CZ2-CD1 3.65Å; W46-F127 AromaticContact CZ2-CD2 3.48Å; W46-F127 HydrophobicContact CZ2-CD2 3.48Å; W46-F127 VanDerWaalsContact CZ2-CD2 3.48Å; W46-F127 HydrophobicContact CZ2-CE1 4.36Å; W46-F127 HydrophobicContact CZ2-CE2 4.22Å; W46-F127 AromaticContact CZ2-CG 3.15Å; W46-F127 HydrophobicContact CZ2-CG 3.15Å; W46-F127 HydrophobicContact CZ3-CB 4.45Å; W46-F151 HydrophobicContact CH2-CD1 4.39Å; W46-F151 HydrophobicContact CZ3-CD1 4.37Å
47S97.5Very high96.5Very high6 Ų641.1 Ų41.14%0.04223%0.229CC..Hα-helixtrans-63.8-37.517869.50000111.5G43 H44 K51G43-S47 WeakPolarHBondContact O-CB 3.46Å; G43-S47 PolarHBondContact O-N 3.12Å; G43-S47 PolarHBondContact O-OG 3.38Å; H44-S47 PolarHBondContact O-N 3.2Å; H44-S47 PolarHBondContact O-OG 2.97Å; H44-S47 VanDerWaalsContact O-OG 3.12Å; S47-K51 WeakPolarHBondContact O-CB 3.23Å; S47-K51 PolarHBondContact O-N 3.31Å; S47-K51 VanDerWaalsContact O-N 3.09Å
48D95.3Very high96.5Very high84 Ų8441.3 Ų41.345%0.44923%0.23SC..Hα-helixtrans-67.5-39.6174.8-81.7-32.7000112.9H44 W46 K51H44-D48 WeakPolarHBondContact O-CB 3.42Å; H44-D48 PolarHBondContact O-N 3.29Å; W46-D48 VanDerWaalsContact C-N 3.27Å; W46-D48 PolarHBondContact O-N 3.35Å; D48-K51 WeakPolarHBondContact O-CE 3.47Å; D48-K51 WeakPolarHBondContact O-CG 3.4Å; D48-K51 IonicContact OD1-NZ 2.72Å; D48-K51 PolarHBondContact OD1-NZ 3.3Å
49A95.6Very high96.5Very high36 Ų3642.9 Ų42.930%0.29824%0.236SC..Hα-helixtrans-70.5-40.5175.900000112.2G45 W46 Y53 M224G45-A49 PolarHBondContact O-N 2.62Å; W46-A49 PolarHBondContact O-N 3.3Å; A49-Y53 WeakPolarHBondContact O-CD2 3.4Å; A49-M224 HydrophobicContact CB-CE 4.31Å; A49-M224 VanDerWaalsContact O-CE 3.32Å; A49-M224 WeakPolarHBondContact O-CE 3.48Å
50L98Very high96.6Very high0 Ų040.9 Ų40.90%023%0.225CC..Hα-helixtrans-75-32.7-174.1-72164000113.2L33 F35 W46 E52 Y53 V54 I60 M224 L227L33-L50 HydrophobicContact CD2-CD1 4.19Å; L33-L50 HydrophobicContact CD2-CD2 4.09Å; F35-L50 HydrophobicContact CB-CD1 3.7Å; F35-L50 HydrophobicContact CD1-CD1 3.97Å; F35-L50 HydrophobicContact CD2-CD1 3.89Å; F35-L50 HydrophobicContact CD2-CD2 4.39Å; F35-L50 HydrophobicContact CE2-CD2 4.48Å; F35-L50 HydrophobicContact CG-CD1 3.58Å; W46-L50 HydrophobicContact CB-CD1 4.24Å; W46-L50 HydrophobicContact CE3-CG 4.46Å; W46-L50 VanDerWaalsContact O-CB 3.23Å; W46-L50 WeakPolarHBondContact O-CB 3.43Å; W46-L50 WeakPolarHBondContact O-CD1 3.39Å; W46-L50 WeakPolarHBondContact O-CG 3.32Å; W46-L50 PolarHBondContact O-N 3.49Å; L50-E52 PolarHBondContact O-N 3.42Å; L50-Y53 PolarHBondContact O-N 2.9Å; L50-V54 HydrophobicContact CB-CG2 4.02Å; L50-V54 HydrophobicContact CD2-CG2 4.12Å; L50-V54 WeakPolarHBondContact O-CB 3.38Å; L50-V54 WeakPolarHBondContact O-CG2 3.5Å; L50-V54 PolarHBondContact O-N 3.1Å; L50-I60 HydrophobicContact CB-CD1 4Å; L50-I60 HydrophobicContact CB-CG2 4.35Å; L50-I60 HydrophobicContact CD1-CG2 4.11Å; L50-M224 HydrophobicContact CD2-CE 3.75Å; L50-M224 HydrophobicContact CG-CE 4.22Å; L50-L227 HydrophobicContact CD2-CD2 3.66Å
51K96.6Very high96.7Very high75 Ų7539.4 Ų39.433%0.32621%0.207SC..THydrogen-bonded Turntrans-56.7-29.7-173.774.1-167173.2-1690113.2V23 R26 S47 D48 I60V23-K51 HydrophobicContact CG1-CB 4.09Å; V23-K51 HydrophobicContact CG2-CB 4.43Å; R26-K51 PolarHBondContact NH1-O 2.79Å; R26-K51 PolarHBondContact NH2-O 2.62Å; S47-K51 WeakPolarHBondContact O-CB 3.23Å; S47-K51 PolarHBondContact O-N 3.31Å; S47-K51 VanDerWaalsContact O-N 3.09Å; D48-K51 WeakPolarHBondContact O-CE 3.47Å; D48-K51 WeakPolarHBondContact O-CG 3.4Å; D48-K51 IonicContact OD1-NZ 2.72Å; D48-K51 PolarHBondContact OD1-NZ 3.3Å; K51-I60 HydrophobicContact CB-CD1 4.31Å
52E94.9Very high96.9Very high129 Ų12936.7 Ų36.760%0.60319%0.193SC*.THydrogen-bonded Turntrans-79.9-19.2-179.3-63.8-171169.100113.8L50 R228L50-E52 PolarHBondContact O-N 3.42Å; E52-R228 PolarHBondContact O-NH2 3.06Å
53Y97.4Very high97.1Very high49 Ų4933.9 Ų33.919%0.19218%0.176CC..THydrogen-bonded Turntrans-114.8-30.1-171.5-63.7-92.5000113.4A49 L50 M224 R228A49-Y53 WeakPolarHBondContact O-CD2 3.4Å; L50-Y53 PolarHBondContact O-N 2.9Å; Y53-M224 HydrophobicContact CD1-CB 3.43Å; Y53-M224 VanDerWaalsContact CD1-CB 3.43Å; Y53-M224 HydrophobicContact CD2-CB 3.73Å; Y53-M224 HydrophobicContact CD2-CE 3.78Å; Y53-M224 HydrophobicContact CD2-CG 4.3Å; Y53-M224 HydrophobicContact CE1-CB 3.64Å; Y53-M224 HydrophobicContact CE2-CB 3.95Å; Y53-M224 HydrophobicContact CE2-CE 4.44Å; Y53-M224 HydrophobicContact CE2-CG 4.37Å; Y53-M224 HydrophobicContact CG-CB 3.47Å; Y53-M224 VanDerWaalsContact CG-CB 3.47Å; Y53-M224 HydrophobicContact CG-CE 4.25Å; Y53-M224 HydrophobicContact CG-CG 4.47Å; Y53-R228 VanDerWaalsContact O-CB 3.24Å; Y53-R228 WeakPolarHBondContact O-CB 3.43Å; Y53-R228 VanDerWaalsContact O-CG 3.27Å; Y53-R228 WeakPolarHBondContact O-CG 3.44Å; Y53-R228 PolarHBondContact O-NE 3.22Å; Y53-R228 PolarHBondContact O-NH2 3.33Å
54V97.8Very high97.2Very high1 Ų135.5 Ų35.51%0.00618%0.183CC..SBendtrans-69.9137179.1171.40000110.4R26 L33 L50 F58 I60 L231R26-V54 PolarHBondContact NH2-O 2.61Å; L33-V54 HydrophobicContact CD2-CG2 3.69Å; L50-V54 HydrophobicContact CB-CG2 4.02Å; L50-V54 HydrophobicContact CD2-CG2 4.12Å; L50-V54 WeakPolarHBondContact O-CB 3.38Å; L50-V54 WeakPolarHBondContact O-CG2 3.5Å; L50-V54 PolarHBondContact O-N 3.1Å; V54-F58 HydrophobicContact CG1-CB 3.34Å; V54-F58 HydrophobicContact CG1-CD1 4.21Å; V54-F58 HydrophobicContact CG1-CD2 4.5Å; V54-F58 HydrophobicContact CG1-CG 3.82Å; V54-I60 HydrophobicContact CB-CD1 3.85Å; V54-I60 HydrophobicContact CB-CG1 4.23Å; V54-I60 HydrophobicContact CG1-CD1 4.1Å; V54-I60 HydrophobicContact CG1-CG1 3.94Å; V54-I60 HydrophobicContact CG2-CD1 4.03Å; V54-I60 HydrophobicContact CG2-CG1 4.37Å; V54-L231 HydrophobicContact CB-CD1 4.42Å; V54-L231 HydrophobicContact CG1-CD1 4.25Å; V54-L231 HydrophobicContact CG2-CD1 3.98Å
55P97.8Very high97.3Very high6 Ų630.8 Ų30.84%0.03916%0.163CC..  trans-58150.2-178.4-24.833.9000114.1Y57 F58 L231P55-Y57 HydrophobicContact CB-CD1 4.05Å; P55-Y57 HydrophobicContact CB-CE1 3.51Å; P55-Y57 HydrophobicContact CB-CE2 4.43Å; P55-Y57 PolarHBondContact O-N 2.85Å; P55-Y57 VanDerWaalsContact O-N 3.07Å; P55-F58 HydrophobicContact CB-CD2 3.96Å; P55-F58 HydrophobicContact CB-CE2 4.35Å; P55-F58 HydrophobicContact CG-CD2 4.13Å; P55-F58 HydrophobicContact CG-CE2 4.17Å; P55-F58 WeakPolarHBondContact O-CB 3.44Å; P55-F58 PolarHBondContact O-N 2.97Å; P55-L231 HydrophobicContact CG-CB 4.1Å
56D97.1Very high97.5Very high77 Ų7733.5 Ų33.541%0.41217%0.169SC..THydrogen-bonded Turntrans-60.5-26-169.4-67.1-11.5000115.2S25 R26 S27 F58S25-D56 CarbonylContact C-O 3.57Å; S25-D56 WeakPolarHBondContact CB-O 3.41Å; R26-D56 HydrophobicContact CB-CB 4.06Å; R26-D56 IonicContact CZ-OD1 3.13Å; R26-D56 PolarHBondContact N-O 3.38Å; R26-D56 IonicContact NE-OD1 2.78Å; R26-D56 PolarHBondContact NE-OD1 3.12Å; R26-D56 IonicContact NH2-OD1 2.67Å; R26-D56 PolarHBondContact NH2-OD1 2.85Å; S27-D56 PolarHBondContact N-O 3.45Å; S27-D56 PolarHBondContact OG-O 2.83Å; D56-F58 VanDerWaalsContact C-N 3.3Å
57Y97.2Very high97.6Very high33 Ų3336.8 Ų36.813%0.12919%0.194CC..THydrogen-bonded Turntrans-86.2-0.5-179.554.9-91.6000113.5S27 S30 A31 P55 I235 G237S27-Y57 WeakPolarHBondContact OG-CA 3.14Å; S27-Y57 WeakPolarHBondContact OG-CB 3.38Å; S27-Y57 PolarHBondContact OG-N 2.85Å; S30-Y57 PolarHBondContact N-O 2.86Å; S30-Y57 WeakPolarHBondContact OG-CD2 3.44Å; A31-Y57 HydrophobicContact CB-CD2 4.09Å; A31-Y57 HydrophobicContact CB-CE2 4.32Å; A31-Y57 PolarHBondContact N-O 2.84Å; P55-Y57 HydrophobicContact CB-CD1 4.05Å; P55-Y57 HydrophobicContact CB-CE1 3.51Å; P55-Y57 HydrophobicContact CB-CE2 4.43Å; P55-Y57 PolarHBondContact O-N 2.85Å; P55-Y57 VanDerWaalsContact O-N 3.07Å; Y57-I235 VanDerWaalsContact CE2-O 3.23Å; Y57-I235 WeakPolarHBondContact CE2-O 3.47Å; Y57-I235 VanDerWaalsContact CZ-O 3.31Å; Y57-I235 PolarHBondContact OH-O 3.41Å; Y57-G237 PolarHBondContact OH-N 2.99Å
58F98.5Very high97.6Very high5 Ų538.8 Ų38.82%0.02220%0.204CC..EExtended strand (participates in β ladder)trans-89.1135172.9-84.2-111.3000111.3S25 A31 L33 V54 P55 D56 V123 L231 I235S25-F58 VanDerWaalsContact CA-O 3.26Å; S25-F58 WeakPolarHBondContact CA-O 3.37Å; S25-F58 WeakPolarHBondContact CB-O 3.35Å; A31-F58 HydrophobicContact CB-CD1 3.81Å; A31-F58 HydrophobicContact CB-CD2 3.69Å; A31-F58 HydrophobicContact CB-CE1 3.75Å; A31-F58 HydrophobicContact CB-CE2 3.65Å; A31-F58 HydrophobicContact CB-CG 3.78Å; A31-F58 HydrophobicContact CB-CZ 3.68Å; A31-F58 CarbonylContact O-C 3.57Å; A31-F58 VanDerWaalsContact O-CA 3.24Å; A31-F58 WeakPolarHBondContact O-CA 3.35Å; L33-F58 HydrophobicContact CB-CD1 4.05Å; V54-F58 HydrophobicContact CG1-CB 3.34Å; V54-F58 HydrophobicContact CG1-CD1 4.21Å; V54-F58 HydrophobicContact CG1-CD2 4.5Å; V54-F58 HydrophobicContact CG1-CG 3.82Å; P55-F58 HydrophobicContact CB-CD2 3.96Å; P55-F58 HydrophobicContact CB-CE2 4.35Å; P55-F58 HydrophobicContact CG-CD2 4.13Å; P55-F58 HydrophobicContact CG-CE2 4.17Å; P55-F58 WeakPolarHBondContact O-CB 3.44Å; P55-F58 PolarHBondContact O-N 2.97Å; D56-F58 VanDerWaalsContact C-N 3.3Å; F58-V123 HydrophobicContact CE1-CG2 4.05Å; F58-V123 HydrophobicContact CZ-CG2 4.49Å; F58-L231 HydrophobicContact CE1-CD2 4.08Å; F58-L231 HydrophobicContact CE2-CB 4.39Å; F58-L231 HydrophobicContact CZ-CB 4.13Å; F58-L231 HydrophobicContact CZ-CD2 4.13Å; F58-I235 HydrophobicContact CE1-CD1 4.26Å; F58-I235 HydrophobicContact CE2-CB 4.36Å; F58-I235 HydrophobicContact CE2-CG2 4.37Å; F58-I235 HydrophobicContact CZ-CB 3.92Å; F58-I235 HydrophobicContact CZ-CD1 3.87Å; F58-I235 HydrophobicContact CZ-CG1 4.46Å; F58-I235 HydrophobicContact CZ-CG2 4.09Å
59K98.6Very high97.8Very high36 Ų3638.4 Ų38.416%0.15721%0.206CC..EExtended strand (participates in β ladder)trans-82.4144.2155.3-176.3173.165.4-179.40109.1V22 V23 H29 A31 T32 L33 I61 E112V22-K59 HydrophobicContact CG1-CD 4.1Å; V22-K59 HydrophobicContact CG1-CG 4.2Å; V23-K59 WeakPolarHBondContact O-CG 3.24Å; H29-K59 WeakPolarHBondContact NE2-CB 3.24Å; A31-K59 PolarHBondContact O-N 2.84Å; T32-K59 CarbonylContact C-O 3.54Å; T32-K59 WeakPolarHBondContact CA-O 3.43Å; T32-K59 HydrophobicContact CG2-CB 4.41Å; L33-K59 PolarHBondContact N-O 3.3Å; K59-I61 HydrophobicContact CG-CG1 4.42Å; K59-E112 VanDerWaalsContact CE-CD 3.41Å; K59-E112 WeakPolarHBondContact CE-OE1 3.46Å; K59-E112 WeakPolarHBondContact CE-OE2 3.31Å; K59-E112 IonicContact NZ-OE1 3.48Å; K59-E112 PolarHBondContact NZ-OE1 2.91Å; K59-E112 IonicContact NZ-OE2 3.59Å; K59-E112 PolarHBondContact NZ-OE2 3.24Å
60I98.8Very high97.9Very high3 Ų336.7 Ų36.72%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-112.8127.9174.5-49.3167.6000108.2V22 V23 L33 L50 K51 V54V22-I60 WeakPolarHBondContact CA-O 3.33Å; V23-I60 HydrophobicContact CB-CB 4.1Å; V23-I60 HydrophobicContact CB-CD1 4.28Å; V23-I60 HydrophobicContact CB-CG1 4.47Å; V23-I60 PolarHBondContact N-O 3.05Å; V23-I60 PolarHBondContact O-N 3.03Å; L33-I60 WeakPolarHBondContact O-CA 3.35Å; L50-I60 HydrophobicContact CB-CD1 4Å; L50-I60 HydrophobicContact CB-CG2 4.35Å; L50-I60 HydrophobicContact CD1-CG2 4.11Å; K51-I60 HydrophobicContact CB-CD1 4.31Å; V54-I60 HydrophobicContact CB-CD1 3.85Å; V54-I60 HydrophobicContact CB-CG1 4.23Å; V54-I60 HydrophobicContact CG1-CD1 4.1Å; V54-I60 HydrophobicContact CG1-CG1 3.94Å; V54-I60 HydrophobicContact CG2-CD1 4.03Å; V54-I60 HydrophobicContact CG2-CG1 4.37Å
61I98.9Very high97.9Very high10 Ų1040.3 Ų40.35%0.05121%0.214CC..EExtended strand (participates in β ladder)trans-119.2121173-55.5178.8000107.4A20 V22 T32 L33 I34 F35 K59 P63 F108 E112A20-I61 HydrophobicContact CB-CG2 3.93Å; V22-I61 HydrophobicContact CG2-CG2 4.46Å; T32-I61 HydrophobicContact CG2-CD1 3.92Å; T32-I61 HydrophobicContact CG2-CG1 4.06Å; L33-I61 PolarHBondContact O-N 2.81Å; I34-I61 CarbonylContact C-O 3.51Å; I34-I61 WeakPolarHBondContact CA-O 3.32Å; I34-I61 HydrophobicContact CG1-CB 4.39Å; I34-I61 HydrophobicContact CG1-CD1 4.42Å; F35-I61 PolarHBondContact N-O 2.82Å; K59-I61 HydrophobicContact CG-CG1 4.42Å; I61-P63 HydrophobicContact CG2-CG 4.12Å; I61-P63 WeakPolarHBondContact O-CD 3.46Å; I61-F108 HydrophobicContact CG2-CD1 3.77Å; I61-F108 HydrophobicContact CG2-CE1 4.04Å; I61-E112 HydrophobicContact CD1-CG 3.97Å; I61-E112 WeakPolarHBondContact CD1-OE1 3.25Å
62C98.8Very high98Very high0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-119.489.2174.8-63.70000109.4A20 A21 F35 G43A20-C62 WeakPolarHBondContact CA-O 3.43Å; A21-C62 HydrophobicContact CB-CB 4.37Å; A21-C62 PolarHBondContact N-O 3.12Å; A21-C62 PolarHBondContact O-N 3.19Å; F35-C62 WeakPolarHBondContact O-CA 3.42Å; G43-C62 WeakPolarHBondContact CA-O 3.41Å; G43-C62 WeakPolarHBondContact O-CB 3.39Å
63P98.7Very high98.1Very high0 Ų036.9 Ų36.90%020%0.203CC..EExtended strand (participates in β ladder)trans-58.1149.3177.3-25.137.4000112.7A20 I34 L36 H37 I61 W81 F108A20-P63 HydrophobicContact CB-CB 4.43Å; I34-P63 HydrophobicContact CG2-CG 4.18Å; L36-P63 HydrophobicContact CD2-CB 4.19Å; L36-P63 HydrophobicContact CD2-CG 3.89Å; H37-P63 PolarHBondContact CD2-O 3.44Å; I61-P63 HydrophobicContact CG2-CG 4.12Å; I61-P63 WeakPolarHBondContact O-CD 3.46Å; P63-W81 HydrophobicContact CB-CH2 3.79Å; P63-F108 HydrophobicContact CB-CD2 4.34Å; P63-F108 HydrophobicContact CB-CE1 4.28Å; P63-F108 HydrophobicContact CB-CE2 3.63Å; P63-F108 HydrophobicContact CB-CZ 3.59Å; P63-F108 HydrophobicContact CG-CD1 4.08Å; P63-F108 HydrophobicContact CG-CD2 3.77Å; P63-F108 HydrophobicContact CG-CE1 3.85Å; P63-F108 HydrophobicContact CG-CE2 3.54Å; P63-F108 HydrophobicContact CG-CG 4.04Å; P63-F108 HydrophobicContact CG-CZ 3.57Å
64H98.3Very high98.1Very high34 Ų3438.3 Ų38.316%0.15723%0.232CC..PPolyproline II helixtrans-95.9121.6172.3-58.7-60.6000109.5P19 A21 G43 H44P19-H64 VanDerWaalsContact C-CD2 3.47Å; P19-H64 WeakPolarHBondContact O-CB 3.4Å; P19-H64 PolarHBondContact O-CD2 3.11Å; P19-H64 VanDerWaalsContact O-CD2 3.3Å; P19-H64 PolarHBondContact O-N 3.27Å; A21-H64 PolarHBondContact N-NE2 2.88Å; G43-H64 PolarHBondContact N-CE1 2.98Å; G43-H64 PolarHBondContact N-ND1 3.32Å; H44-H64 AromaticContact CE1-CE1 3.55Å; H44-H64 AromaticContact CE1-NE2 3.49Å; H44-H64 PolarHBondContact CE1-NE2 3.44Å; H44-H64 AromaticContact ND1-CE1 3.3Å; H44-H64 PolarHBondContact ND1-CE1 3.35Å; H44-H64 VanDerWaalsContact ND1-CE1 3.3Å; H44-H64 AromaticContact ND1-NE2 3.74Å
65A98.3Very high98.1Very high9 Ų940 Ų407%0.07425%0.25CS..PPolyproline II helixtrans-64.4147.7171.500000110.9H37 P79 W81H37-A65 PolarHBondContact NE2-N 3.14Å; A65-P79 HydrophobicContact CB-CB 4.4Å; A65-W81 HydrophobicContact CB-CD2 3.82Å; A65-W81 HydrophobicContact CB-CE3 3.94Å; A65-W81 HydrophobicContact CB-CG 4.35Å; A65-W81 HydrophobicContact CB-CH2 3.92Å; A65-W81 HydrophobicContact CB-CZ2 3.88Å; A65-W81 HydrophobicContact CB-CZ3 3.99Å
66N97.2Very high98.1Very high95 Ų9545.6 Ų45.651%0.50828%0.277SS..PPolyproline II helixtrans-65151.5170.8-72.6-38.4000110.5I68 P79 A80N66-I68 HydrophobicContact CB-CG2 4.48Å; N66-I68 PolarHBondContact O-N 3.41Å; N66-P79 WeakPolarHBondContact O-CA 3.32Å; N66-A80 PolarHBondContact O-N 3.14Å; N66-A80 VanDerWaalsContact O-N 3.11Å
67S98.3Very high98.1Very high84 Ų8446.2 Ų46.259%0.58729%0.286SS*.EExtended strand (participates in β ladder)trans-78.6117.3170.4-66.40000110M78S67-M78 WeakPolarHBondContact CA-O 3.31Å
68I98.4Very high98.2Very high49 Ų4946 Ų4625%0.25129%0.287SS..EExtended strand (participates in β ladder)trans-128.3155.7179.362.8171.4000109.5N66 V70 C77 M78 A80N66-I68 HydrophobicContact CB-CG2 4.48Å; N66-I68 PolarHBondContact O-N 3.41Å; I68-V70 HydrophobicContact CG1-CG2 4.45Å; I68-V70 PolarHBondContact O-N 2.99Å; I68-C77 WeakPolarHBondContact O-CA 3.5Å; I68-M78 PolarHBondContact N-O 3.11Å; I68-M78 PolarHBondContact O-N 2.98Å; I68-M78 VanDerWaalsContact O-N 3.09Å; I68-A80 HydrophobicContact CD1-CB 3.93Å; I68-A80 HydrophobicContact CG1-CB 3.76Å
69P98.3Very high98.2Very high76 Ų7647 Ų4749%0.49430%0.295SS..EExtended strand (participates in β ladder)trans-64.3133.2170.827.3-34.3000110.2
70V98.6Very high98.2Very high0 Ų045.5 Ų45.50%029%0.288CS..EExtended strand (participates in β ladder)trans-113.7114.9-179.8179.10000110.3L39 I68 L72 N73 G75 M76 M78 A80 D83L39-V70 HydrophobicContact CD1-CG1 4.17Å; L39-V70 HydrophobicContact CD1-CG2 3.88Å; L39-V70 HydrophobicContact CD2-CG1 4.27Å; I68-V70 HydrophobicContact CG1-CG2 4.45Å; I68-V70 PolarHBondContact O-N 2.99Å; V70-L72 HydrophobicContact CG1-CB 4.19Å; V70-L72 PolarHBondContact O-N 3.46Å; V70-N73 HydrophobicContact CB-CB 4.46Å; V70-N73 HydrophobicContact CG1-CB 4.42Å; V70-N73 CarbonylContact O-C 3.59Å; V70-N73 PolarHBondContact O-N 3.28Å; V70-G75 WeakPolarHBondContact O-CA 3.45Å; V70-G75 PolarHBondContact O-N 3.2Å; V70-M76 PolarHBondContact N-O 3.42Å; V70-M78 HydrophobicContact CB-CG 4.42Å; V70-M78 HydrophobicContact CG2-CG 3.8Å; V70-M78 HydrophobicContact CG2-SD 4.49Å; V70-A80 HydrophobicContact CG2-CB 3.76Å; V70-D83 WeakPolarHBondContact CA-OD1 3.36Å
71T98.4Very high98.2Very high76 Ų7646.4 Ų46.447%0.46629%0.291SS..G310 helixtrans-59.3-43.1-175.2-68.20000112.1N73 G74 D83 Y85T71-N73 PolarHBondContact O-N 3.15Å; T71-N73 VanDerWaalsContact O-N 3.14Å; T71-G74 PolarHBondContact O-N 3.44Å; T71-D83 WeakPolarHBondContact CB-OD2 3.33Å; T71-D83 PolarHBondContact N-OD1 3.45Å; T71-D83 PolarHBondContact OG1-OD2 3.03Å; T71-Y85 HydrophobicContact CG2-CD1 4.03Å
72L97.1Very high98.2Very high66 Ų6646.2 Ų46.235%0.34629%0.29SS..G310 helixtrans-53.5-35.2176.3179.971.4000112V70 I84 L87V70-L72 HydrophobicContact CG1-CB 4.19Å; V70-L72 PolarHBondContact O-N 3.46Å; L72-I84 WeakPolarHBondContact CA-O 3.45Å; L72-I84 HydrophobicContact CB-CB 4.28Å; L72-I84 HydrophobicContact CB-CG2 4.17Å; L72-I84 WeakPolarHBondContact CB-O 3.27Å; L72-I84 HydrophobicContact CD2-CB 4.5Å; L72-I84 HydrophobicContact CD2-CG2 3.92Å; L72-I84 PolarHBondContact N-O 3.28Å; L72-L87 HydrophobicContact CD2-CD1 3.84Å; L72-L87 HydrophobicContact CD2-CG 3.88Å
73N97.5Very high98.2Very high66 Ų6647.5 Ų47.535%0.35330%0.297SS..G310 helixtrans-100.130.6-177.8-67.4-19.9000112.1V70 T71 G75 M76 M78V70-N73 HydrophobicContact CB-CB 4.46Å; V70-N73 HydrophobicContact CG1-CB 4.42Å; V70-N73 CarbonylContact O-C 3.59Å; V70-N73 PolarHBondContact O-N 3.28Å; T71-N73 PolarHBondContact O-N 3.15Å; T71-N73 VanDerWaalsContact O-N 3.14Å; N73-G75 VanDerWaalsContact C-N 3.28Å; N73-G75 PolarHBondContact O-N 2.88Å; N73-M76 HydrophobicContact CB-CB 4.36Å; N73-M76 WeakPolarHBondContact O-CB 3.42Å; N73-M76 PolarHBondContact O-N 3.31Å; N73-M78 HydrophobicContact CB-CE 3.85Å; N73-M78 VanDerWaalsContact ND2-CE 3.33Å; N73-M78 WeakPolarHBondContact ND2-CE 3.31Å; N73-M78 PolarHBondContact ND2-SD 3.49Å
74G97.4Very high98.1Very high78 Ų7848 Ų4880%0.80430%0.299SS*.THydrogen-bonded Turntrans66.925.7176.300000114.2T71 M76T71-G74 PolarHBondContact O-N 3.44Å; G74-M76 VanDerWaalsContact C-N 3.35Å
75G97.5Very high98Very high38 Ų3849.9 Ų49.939%0.39231%0.306SS..THydrogen-bonded Turntrans81.69.7-178.900000114.5V70 N73 C77V70-G75 WeakPolarHBondContact O-CA 3.45Å; V70-G75 PolarHBondContact O-N 3.2Å; N73-G75 VanDerWaalsContact C-N 3.28Å; N73-G75 PolarHBondContact O-N 2.88Å; G75-C77 PolarHBondContact O-N 3.03Å
76M97.9Very high97.9Very high122 Ų12251.6 Ų51.660%0.60132%0.32SS*.EExtended strand (participates in β ladder)trans-60131.4174.7-176.9-179.8-64.200110.7V70 N73 G74 M78V70-M76 PolarHBondContact N-O 3.42Å; N73-M76 HydrophobicContact CB-CB 4.36Å; N73-M76 WeakPolarHBondContact O-CB 3.42Å; N73-M76 PolarHBondContact O-N 3.31Å; G74-M76 VanDerWaalsContact C-N 3.35Å; M76-M78 HydrophobicContact CB-CE 3.84Å; M76-M78 HydrophobicContact CG-CE 3.64Å; M76-M78 HydrophobicContact SD-CE 3.46Å; M76-M78 WeakPolarHBondContact SD-CE 3.4Å
77C98.2Very high97.5Very high90 Ų9049.6 Ų49.661%0.60831%0.309SS*.EExtended strand (participates in β ladder)trans-76.4122.1175.4-69.60000110.8I68 G75I68-C77 WeakPolarHBondContact O-CA 3.5Å; G75-C77 PolarHBondContact O-N 3.03Å
78M98.3Very high97.1Very high28 Ų2848.4 Ų48.414%0.13830%0.301CS..EExtended strand (participates in β ladder)trans-154.8163.4177.161.6-17566.300110.8L39 S67 I68 V70 N73 M76 A80L39-M78 HydrophobicContact CD1-CG 4.04Å; L39-M78 HydrophobicContact CD1-SD 3.86Å; L39-M78 HydrophobicContact CG-SD 4.12Å; S67-M78 WeakPolarHBondContact CA-O 3.31Å; I68-M78 PolarHBondContact N-O 3.11Å; I68-M78 PolarHBondContact O-N 2.98Å; I68-M78 VanDerWaalsContact O-N 3.09Å; V70-M78 HydrophobicContact CB-CG 4.42Å; V70-M78 HydrophobicContact CG2-CG 3.8Å; V70-M78 HydrophobicContact CG2-SD 4.49Å; N73-M78 HydrophobicContact CB-CE 3.85Å; N73-M78 VanDerWaalsContact ND2-CE 3.33Å; N73-M78 WeakPolarHBondContact ND2-CE 3.31Å; N73-M78 PolarHBondContact ND2-SD 3.49Å; M76-M78 HydrophobicContact CB-CE 3.84Å; M76-M78 HydrophobicContact CG-CE 3.64Å; M76-M78 HydrophobicContact SD-CE 3.46Å; M76-M78 WeakPolarHBondContact SD-CE 3.4Å; M78-A80 PolarHBondContact O-N 3.07Å; M78-A80 VanDerWaalsContact O-N 3.16Å
79P98.4Very high96.5Very high28 Ų2850.7 Ų50.718%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-56.3119175.3-25.935.3000111.7G40 D41 A65 N66G40-P79 PolarHBondContact N-O 2.66Å; D41-P79 WeakPolarHBondContact O-CB 3.2Å; A65-P79 HydrophobicContact CB-CB 4.4Å; N66-P79 WeakPolarHBondContact O-CA 3.32Å
80A98.6Very high96Very high3 Ų353.8 Ų53.83%0.02532%0.322CS..  trans-152.4144.4176.300000110.8L39 N66 I68 V70 M78L39-A80 HydrophobicContact CD1-CB 3.57Å; N66-A80 PolarHBondContact O-N 3.14Å; N66-A80 VanDerWaalsContact O-N 3.11Å; I68-A80 HydrophobicContact CD1-CB 3.93Å; I68-A80 HydrophobicContact CG1-CB 3.76Å; V70-A80 HydrophobicContact CG2-CB 3.76Å; M78-A80 PolarHBondContact O-N 3.07Å; M78-A80 VanDerWaalsContact O-N 3.16Å
81W98.8Very high95.7Very high22 Ų2254.7 Ų54.78%0.08333%0.33CS..SBendtrans-74.5-33.4179.1-64.3107.6000112.6L18 L36 H37 P63 A65 A101 Q129 V133L18-W81 HydrophobicContact CD1-CZ3 3.99Å; L36-W81 HydrophobicContact CB-CZ2 3.96Å; L36-W81 HydrophobicContact CD1-CD2 4.5Å; L36-W81 HydrophobicContact CD2-CH2 3.82Å; L36-W81 HydrophobicContact CD2-CZ2 3.72Å; L36-W81 HydrophobicContact CD2-CZ3 4.37Å; L36-W81 HydrophobicContact CG-CZ2 4.29Å; H37-W81 AromaticContact CD2-CZ2 3.85Å; H37-W81 AromaticContact NE2-CZ2 3.79Å; H37-W81 PolarHBondContact O-NE1 3.39Å; P63-W81 HydrophobicContact CB-CH2 3.79Å; A65-W81 HydrophobicContact CB-CD2 3.82Å; A65-W81 HydrophobicContact CB-CE3 3.94Å; A65-W81 HydrophobicContact CB-CG 4.35Å; A65-W81 HydrophobicContact CB-CH2 3.92Å; A65-W81 HydrophobicContact CB-CZ2 3.88Å; A65-W81 HydrophobicContact CB-CZ3 3.99Å; W81-A101 HydrophobicContact CB-CB 3.91Å; W81-A101 WeakPolarHBondContact O-CB 3.46Å; W81-Q129 HydrophobicContact CB-CG 4.27Å; W81-V133 HydrophobicContact CB-CG2 3.75Å; W81-V133 HydrophobicContact CG-CG2 4.02Å
82Y98.7Very high95.6Very high7 Ų758.8 Ų58.83%0.02734%0.341CS..SBendtrans-157.1168.3178.855.2-96.5000109.1I84 G97 I98 A101 Q129 S132 V133 W154Y82-I84 HydrophobicContact CD2-CG1 4.43Å; Y82-I84 HydrophobicContact CE2-CG1 4.13Å; Y82-G97 VanDerWaalsContact CB-C 3.42Å; Y82-I98 HydrophobicContact CD1-CB 4.49Å; Y82-I98 HydrophobicContact CD1-CG1 3.74Å; Y82-I98 HydrophobicContact CD2-CD1 4.3Å; Y82-I98 HydrophobicContact CD2-CG1 3.67Å; Y82-I98 HydrophobicContact CE1-CG1 3.87Å; Y82-I98 HydrophobicContact CE2-CD1 4.21Å; Y82-I98 HydrophobicContact CE2-CG1 3.83Å; Y82-I98 HydrophobicContact CG-CG1 3.64Å; Y82-A101 HydrophobicContact CD1-CB 4.44Å; Y82-Q129 HydrophobicContact CD1-CG 4.1Å; Y82-Q129 HydrophobicContact CE1-CG 3.5Å; Y82-Q129 HydrophobicContact CE2-CG 4.2Å; Y82-Q129 PolarHBondContact O-NE2 3.48Å; Y82-S132 WeakPolarHBondContact OH-CB 3.29Å; Y82-V133 HydrophobicContact CD1-CG2 3.84Å; Y82-V133 HydrophobicContact CE1-CG2 3.58Å; Y82-W154 VanDerWaalsContact OH-CZ2 3.26Å; Y82-W154 WeakPolarHBondContact OH-CZ2 3.46Å
83D98.5Very high95.6Very high26 Ų2657.7 Ų57.714%0.13934%0.335CS..  trans-75.9140.4178.9-165.58.6000111.7V70 T71 Y85 D94V70-D83 WeakPolarHBondContact CA-OD1 3.36Å; T71-D83 WeakPolarHBondContact CB-OD2 3.33Å; T71-D83 PolarHBondContact N-OD1 3.45Å; T71-D83 PolarHBondContact OG1-OD2 3.03Å; D83-Y85 HydrophobicContact CB-CE1 4.07Å; D83-Y85 VanDerWaalsContact OD2-CE1 3.24Å; D83-Y85 WeakPolarHBondContact OD2-CE1 3.37Å; D83-D94 HydrophobicContact CB-CB 4.17Å; D83-D94 PolarHBondContact N-OD2 2.84Å; D83-D94 VanDerWaalsContact O-CB 3.32Å; D83-D94 WeakPolarHBondContact O-CB 3.34Å
84I97.3Very high95.6Very high10 Ų1056 Ų565%0.05133%0.325CS..  trans-110.7119.8175-57.7-174.9000107.8L39 L72 Y82 L87 Q129 W154L39-I84 HydrophobicContact CD2-CD1 4.29Å; L72-I84 WeakPolarHBondContact CA-O 3.45Å; L72-I84 HydrophobicContact CB-CB 4.28Å; L72-I84 HydrophobicContact CB-CG2 4.17Å; L72-I84 WeakPolarHBondContact CB-O 3.27Å; L72-I84 HydrophobicContact CD2-CB 4.5Å; L72-I84 HydrophobicContact CD2-CG2 3.92Å; L72-I84 PolarHBondContact N-O 3.28Å; Y82-I84 HydrophobicContact CD2-CG1 4.43Å; Y82-I84 HydrophobicContact CE2-CG1 4.13Å; I84-L87 HydrophobicContact CD1-CD2 4.38Å; I84-L87 HydrophobicContact CG2-CD2 3.8Å; I84-L87 HydrophobicContact CG2-CG 4.21Å; I84-Q129 HydrophobicContact CD1-CG 4.33Å; I84-W154 HydrophobicContact CD1-CH2 4.13Å
85Y97.2Very high95.7Very high75 Ų7554.8 Ų54.829%0.29430%0.299SS..SBendtrans-87.6-40.3177.6-51.8-37.7000112.3T71 D83 K92 D94T71-Y85 HydrophobicContact CG2-CD1 4.03Å; D83-Y85 HydrophobicContact CB-CE1 4.07Å; D83-Y85 VanDerWaalsContact OD2-CE1 3.24Å; D83-Y85 WeakPolarHBondContact OD2-CE1 3.37Å; Y85-K92 HydrophobicContact CD2-CB 3.91Å; Y85-K92 HydrophobicContact CD2-CD 4.04Å; Y85-K92 HydrophobicContact CD2-CG 3.82Å; Y85-K92 VanDerWaalsContact CD2-O 3.23Å; Y85-K92 WeakPolarHBondContact CD2-O 3.34Å; Y85-K92 HydrophobicContact CE2-CD 3.99Å; Y85-K92 HydrophobicContact CE2-CG 3.91Å; Y85-D94 HydrophobicContact CE2-CB 4.31Å
86A94.7Very high95.7Very high44 Ų4456.3 Ų56.336%0.36431%0.308SS..  trans-159.5152.3175.300000110.4S88 A91A86-S88 PolarHBondContact O-N 3.17Å; A86-A91 HydrophobicContact CB-CB 3.79Å; A86-A91 WeakPolarHBondContact O-CB 3.24Å
87L89.5Confident95.7Very high54 Ų5450.9 Ų50.928%0.28328%0.283SS..SBendtrans-98.475.9174.7-66.8176000110.3L72 I84 W154 T186 I187L72-L87 HydrophobicContact CD2-CD1 3.84Å; L72-L87 HydrophobicContact CD2-CG 3.88Å; I84-L87 HydrophobicContact CD1-CD2 4.38Å; I84-L87 HydrophobicContact CG2-CD2 3.8Å; I84-L87 HydrophobicContact CG2-CG 4.21Å; L87-W154 HydrophobicContact CD2-CH2 3.91Å; L87-W154 HydrophobicContact CD2-CZ2 4.36Å; L87-W154 HydrophobicContact CD2-CZ3 4.3Å; L87-T186 HydrophobicContact CD1-CG2 4.1Å; L87-I187 HydrophobicContact CD1-CD1 3.97Å; L87-I187 HydrophobicContact CD2-CD1 3.69Å; L87-I187 HydrophobicContact CG-CD1 4.31Å
88S89.5Confident95.8Very high59 Ų5946.6 Ų46.641%0.41325%0.254SS..SBendtrans-148.4159.5171.770.90000110.7A86 N90 A91A86-S88 PolarHBondContact O-N 3.17Å; S88-N90 VanDerWaalsContact C-N 3.27Å; S88-N90 PolarHBondContact O-N 3.01Å; S88-A91 WeakPolarHBondContact O-CB 3.46Å; S88-A91 PolarHBondContact O-N 2.75Å; S88-A91 PolarHBondContact OG-N 3.48Å
89E85.4Confident95.8Very high96 Ų9649.3 Ų49.345%0.44927%0.265SS..THydrogen-bonded Turntrans-54.2-42.5-178.2-176.4-179161.500112.8H158 L194E89-H158 PolarHBondContact O-CE1 2.93Å; E89-L194 VanDerWaalsContact CD-CD2 3.41Å; E89-L194 HydrophobicContact CG-CD2 3.68Å; E89-L194 WeakPolarHBondContact OE1-CD2 3.5Å
90N88.6Confident95.8Very high141 Ų14153.9 Ų53.975%0.75428%0.284SS*.THydrogen-bonded Turntrans-96.98.9-174.4-63.7-52.5000113.9S88S88-N90 VanDerWaalsContact C-N 3.27Å; S88-N90 PolarHBondContact O-N 3.01Å
91A92.1Very high95.8Very high19 Ų1953.9 Ų53.916%0.15728%0.284CS..  trans-61.4143.6178.600000111A86 S88A86-A91 HydrophobicContact CB-CB 3.79Å; A86-A91 WeakPolarHBondContact O-CB 3.24Å; S88-A91 WeakPolarHBondContact O-CB 3.46Å; S88-A91 PolarHBondContact O-N 2.75Å; S88-A91 PolarHBondContact OG-N 3.48Å
92K95.9Very high95.7Very high163 Ų16353.2 Ų53.271%0.70928%0.283SS*.  trans-57144.3162.4-174.8-173.8176.3-170.40108.1Y85Y85-K92 HydrophobicContact CD2-CB 3.91Å; Y85-K92 HydrophobicContact CD2-CD 4.04Å; Y85-K92 HydrophobicContact CD2-CG 3.82Å; Y85-K92 VanDerWaalsContact CD2-O 3.23Å; Y85-K92 WeakPolarHBondContact CD2-O 3.34Å; Y85-K92 HydrophobicContact CE2-CD 3.99Å; Y85-K92 HydrophobicContact CE2-CG 3.91Å
93Q97.7Very high95.7Very high43 Ų4358.6 Ų58.620%0.20131%0.311CS..  trans-125.1150.5-179.9-65.5-178.8-14.100111.4E95 I98 L157Q93-E95 VanDerWaalsContact C-N 3.29Å; Q93-E95 PolarHBondContact O-N 3.17Å; Q93-I98 HydrophobicContact CB-CD1 4.08Å; Q93-L157 HydrophobicContact CB-CD2 4.05Å
94D98.2Very high95.7Very high30 Ų3058.8 Ų58.816%0.1631%0.312CS..  trans-77.276.4174.2179.619000111.1D83 Y85 A96 G97 I98D83-D94 HydrophobicContact CB-CB 4.17Å; D83-D94 PolarHBondContact N-OD2 2.84Å; D83-D94 VanDerWaalsContact O-CB 3.32Å; D83-D94 WeakPolarHBondContact O-CB 3.34Å; Y85-D94 HydrophobicContact CE2-CB 4.31Å; D94-A96 PolarHBondContact O-N 3.15Å; D94-G97 PolarHBondContact O-N 3.44Å; D94-G97 PolarHBondContact OD1-N 3.25Å; D94-G97 VanDerWaalsContact OD1-N 3.08Å; D94-G97 WeakPolarHBondContact OD2-CA 3.15Å; D94-G97 PolarHBondContact OD2-N 2.92Å; D94-I98 WeakPolarHBondContact O-CD1 3.35Å; D94-I98 VanDerWaalsContact O-CG1 3.25Å; D94-I98 WeakPolarHBondContact O-CG1 3.42Å; D94-I98 PolarHBondContact O-N 3.39Å
95E98Very high95.7Very high52 Ų5258.5 Ų58.524%0.24331%0.31CS..Hα-helixtrans-57.1-36.2-178.3173.8172.9-176.200113.1Q93 K99 L157 K160Q93-E95 VanDerWaalsContact C-N 3.29Å; Q93-E95 PolarHBondContact O-N 3.17Å; E95-K99 HydrophobicContact CG-CD 4.28Å; E95-K99 WeakPolarHBondContact O-CG 3.42Å; E95-K99 PolarHBondContact O-N 2.84Å; E95-K99 VanDerWaalsContact O-N 3.16Å; E95-K99 VanDerWaalsContact OE1-CE 3.3Å; E95-K99 WeakPolarHBondContact OE1-CE 3.38Å; E95-K99 IonicContact OE1-NZ 3.71Å; E95-K99 PolarHBondContact OE1-NZ 2.88Å; E95-L157 HydrophobicContact CB-CD1 4.12Å; E95-L157 HydrophobicContact CB-CD2 3.96Å; E95-L157 HydrophobicContact CG-CD1 3.76Å; E95-L157 HydrophobicContact CG-CD2 4.36Å; E95-K160 IonicContact OE1-NZ 2.63Å; E95-K160 PolarHBondContact OE1-NZ 2.98Å; E95-K160 WeakPolarHBondContact OE2-CE 3.23Å; E95-K160 IonicContact OE2-NZ 3.74Å; E95-K160 PolarHBondContact OE2-NZ 3.47Å
96A98.4Very high95.8Very high71 Ų7155.7 Ų55.759%0.58730%0.304SS*.Hα-helixtrans-66.9-49.8179.500000110.5D94 I98 K99 E100D94-A96 PolarHBondContact O-N 3.15Å; A96-I98 PolarHBondContact O-N 3.2Å; A96-K99 PolarHBondContact O-N 3.4Å; A96-E100 PolarHBondContact O-N 3.05Å
97G98.6Very high95.9Very high8 Ų855.4 Ų55.48%0.08230%0.295CS..Hα-helixtrans-63.4-38.5177.100000113.1Y82 D94 K99 E100 A101Y82-G97 VanDerWaalsContact CB-C 3.42Å; D94-G97 PolarHBondContact O-N 3.44Å; D94-G97 PolarHBondContact OD1-N 3.25Å; D94-G97 VanDerWaalsContact OD1-N 3.08Å; D94-G97 WeakPolarHBondContact OD2-CA 3.15Å; D94-G97 PolarHBondContact OD2-N 2.92Å; G97-K99 VanDerWaalsContact C-N 3.31Å; G97-K99 PolarHBondContact O-N 3.03Å; G97-E100 PolarHBondContact O-N 2.87Å; G97-A101 WeakPolarHBondContact O-CB 3.02Å; G97-A101 PolarHBondContact O-N 3.42Å
98I98.7Very high96.4Very high0 Ų053.1 Ų53.10%028%0.282CS..Hα-helixtrans-59.9-43.1175.9-70157.2000110.9Y82 Q93 D94 A96 S102 Y136 P156 L157Y82-I98 HydrophobicContact CD1-CB 4.49Å; Y82-I98 HydrophobicContact CD1-CG1 3.74Å; Y82-I98 HydrophobicContact CD2-CD1 4.3Å; Y82-I98 HydrophobicContact CD2-CG1 3.67Å; Y82-I98 HydrophobicContact CE1-CG1 3.87Å; Y82-I98 HydrophobicContact CE2-CD1 4.21Å; Y82-I98 HydrophobicContact CE2-CG1 3.83Å; Y82-I98 HydrophobicContact CG-CG1 3.64Å; Q93-I98 HydrophobicContact CB-CD1 4.08Å; D94-I98 WeakPolarHBondContact O-CD1 3.35Å; D94-I98 VanDerWaalsContact O-CG1 3.25Å; D94-I98 WeakPolarHBondContact O-CG1 3.42Å; D94-I98 PolarHBondContact O-N 3.39Å; A96-I98 PolarHBondContact O-N 3.2Å; I98-S102 WeakPolarHBondContact O-CB 3.3Å; I98-S102 PolarHBondContact O-N 3.13Å; I98-Y136 HydrophobicContact CG2-CD1 3.82Å; I98-Y136 HydrophobicContact CG2-CD2 3.99Å; I98-Y136 HydrophobicContact CG2-CE1 4.16Å; I98-Y136 HydrophobicContact CG2-CE2 4.34Å; I98-Y136 HydrophobicContact CG2-CG 3.72Å; I98-P156 HydrophobicContact CD1-CB 3.82Å; I98-P156 HydrophobicContact CG1-CB 4.39Å; I98-P156 HydrophobicContact CG2-CB 4.32Å; I98-P156 HydrophobicContact CG2-CG 4.12Å; I98-L157 HydrophobicContact CB-CD1 4.5Å; I98-L157 HydrophobicContact CD1-CD1 4.34Å; I98-L157 HydrophobicContact CD1-CD2 4.21Å; I98-L157 HydrophobicContact CD1-CG 4.05Å; I98-L157 HydrophobicContact CG2-CD1 4.18Å
99K98.4Very high96.8Very high85 Ų8550.3 Ų50.337%0.3726%0.263SS..Hα-helixtrans-66.3-42.2176.3-74.4174.8-174.41740111.9E95 A96 G97 S102 L103 Y136E95-K99 HydrophobicContact CG-CD 4.28Å; E95-K99 WeakPolarHBondContact O-CG 3.42Å; E95-K99 PolarHBondContact O-N 2.84Å; E95-K99 VanDerWaalsContact O-N 3.16Å; E95-K99 VanDerWaalsContact OE1-CE 3.3Å; E95-K99 WeakPolarHBondContact OE1-CE 3.38Å; E95-K99 IonicContact OE1-NZ 3.71Å; E95-K99 PolarHBondContact OE1-NZ 2.88Å; A96-K99 PolarHBondContact O-N 3.4Å; G97-K99 VanDerWaalsContact C-N 3.31Å; G97-K99 PolarHBondContact O-N 3.03Å; K99-S102 WeakPolarHBondContact O-CB 3.47Å; K99-S102 PolarHBondContact O-N 3.42Å; K99-L103 WeakPolarHBondContact O-CG 3.4Å; K99-L103 PolarHBondContact O-N 3.17Å; K99-Y136 WeakPolarHBondContact CE-OH 3.47Å; K99-Y136 HydrophobicContact CG-CE1 4.07Å; K99-Y136 WeakPolarHBondContact CG-OH 3.45Å
100E98.2Very high97.4Very high123 Ų12349.1 Ų49.158%0.57526%0.26SS*.Hα-helixtrans-62.2-47.7177.2-172.7173-178.300111.5A96 G97 S102 L103 E104A96-E100 PolarHBondContact O-N 3.05Å; G97-E100 PolarHBondContact O-N 2.87Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 3.01Å; E100-L103 WeakPolarHBondContact O-CA 3.44Å; E100-L103 WeakPolarHBondContact O-CB 3.43Å; E100-L103 PolarHBondContact O-N 3.4Å; E100-E104 PolarHBondContact O-N 3.21Å
101A98.6Very high97.8Very high3 Ų343.9 Ų43.93%0.02524%0.236CC..Hα-helixtrans-58.8-38.3175.100000112.8W81 Y82 G97 L103 E104 L105 V133W81-A101 HydrophobicContact CB-CB 3.91Å; W81-A101 WeakPolarHBondContact O-CB 3.46Å; Y82-A101 HydrophobicContact CD1-CB 4.44Å; G97-A101 WeakPolarHBondContact O-CB 3.02Å; G97-A101 PolarHBondContact O-N 3.42Å; A101-L103 VanDerWaalsContact C-N 3.34Å; A101-E104 PolarHBondContact O-N 3.03Å; A101-L105 PolarHBondContact O-N 3.3Å; A101-V133 HydrophobicContact CB-CG1 3.87Å; A101-V133 HydrophobicContact CB-CG2 3.75Å
102S98.5Very high98.1Very high9 Ų943.5 Ų43.56%0.06323%0.231CC..Hα-helixtrans-62.3-41.8173.9-174.60000112I98 K99 E100 L105 G106 N137I98-S102 WeakPolarHBondContact O-CB 3.3Å; I98-S102 PolarHBondContact O-N 3.13Å; K99-S102 WeakPolarHBondContact O-CB 3.47Å; K99-S102 PolarHBondContact O-N 3.42Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 3.01Å; S102-L105 PolarHBondContact O-N 2.92Å; S102-G106 PolarHBondContact O-N 3.07Å; S102-N137 PolarHBondContact O-ND2 3.45Å; S102-N137 VanDerWaalsContact OG-CA 3.27Å; S102-N137 WeakPolarHBondContact OG-CA 3.44Å; S102-N137 VanDerWaalsContact OG-CB 3.27Å; S102-N137 WeakPolarHBondContact OG-CB 3.03Å; S102-N137 PolarHBondContact OG-ND2 2.93Å; S102-N137 VanDerWaalsContact OG-ND2 3.1Å
103L97.6Very high98.2Very high119 Ų11939 Ų3962%0.62321%0.213SC*.Hα-helixtrans-65.7-41.4175.4-68171.5000111.3K99 E100 A101 L105 G106 K107K99-L103 WeakPolarHBondContact O-CG 3.4Å; K99-L103 PolarHBondContact O-N 3.17Å; E100-L103 WeakPolarHBondContact O-CA 3.44Å; E100-L103 WeakPolarHBondContact O-CB 3.43Å; E100-L103 PolarHBondContact O-N 3.4Å; A101-L103 VanDerWaalsContact C-N 3.34Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L103-L105 PolarHBondContact O-N 2.6Å; L103-G106 WeakPolarHBondContact O-CA 3.5Å; L103-G106 PolarHBondContact O-N 3.01Å; L103-G106 VanDerWaalsContact O-N 3.07Å; L103-K107 PolarHBondContact O-N 3.19Å; L103-K107 VanDerWaalsContact O-N 3.07Å
104E98.1Very high98.2Very high31 Ų3144.5 Ų44.515%0.14524%0.237CC..Hα-helixtrans-58.4-45.3174.7-68.8-53.814200111.9L18 E100 A101 G106 K107 F108L18-E104 HydrophobicContact CD1-CB 4.42Å; L18-E104 HydrophobicContact CD1-CG 4.32Å; E100-E104 PolarHBondContact O-N 3.21Å; A101-E104 PolarHBondContact O-N 3.03Å; E104-G106 VanDerWaalsContact C-N 3.29Å; E104-G106 PolarHBondContact O-N 3.01Å; E104-K107 WeakPolarHBondContact O-CB 3.01Å; E104-K107 PolarHBondContact O-N 3.07Å; E104-K107 WeakPolarHBondContact OE1-CE 3.42Å; E104-K107 IonicContact OE1-NZ 3.92Å; E104-K107 PolarHBondContact OE1-NZ 3.23Å; E104-K107 WeakPolarHBondContact OE2-CD 3.33Å; E104-K107 WeakPolarHBondContact OE2-CE 3.47Å; E104-K107 IonicContact OE2-NZ 2.79Å; E104-K107 PolarHBondContact OE2-NZ 3.47Å; E104-F108 VanDerWaalsContact O-CD2 3.3Å; E104-F108 WeakPolarHBondContact O-CD2 3.12Å
105L98.7Very high98.1Very high3 Ų346.5 Ų46.52%0.01626%0.258CS..Hα-helixtrans-58.4-42.5172.8175.457.3000111.6I34 L36 A101 S102 L103 K107 F108 V109 I124 V133 A134 N137I34-L105 HydrophobicContact CB-CD1 4.17Å; I34-L105 HydrophobicContact CG2-CD1 3.52Å; L36-L105 HydrophobicContact CD1-CB 4.3Å; L36-L105 HydrophobicContact CD1-CD1 4.34Å; L36-L105 HydrophobicContact CD1-CD2 4.05Å; L36-L105 HydrophobicContact CD1-CG 4.47Å; L36-L105 HydrophobicContact CD2-CD1 4.29Å; L36-L105 HydrophobicContact CG-CD1 4.39Å; A101-L105 PolarHBondContact O-N 3.3Å; S102-L105 PolarHBondContact O-N 2.92Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L103-L105 PolarHBondContact O-N 2.6Å; L105-K107 VanDerWaalsContact C-N 3.26Å; L105-K107 PolarHBondContact O-N 2.85Å; L105-F108 PolarHBondContact O-N 3.24Å; L105-F108 VanDerWaalsContact O-N 3.14Å; L105-V109 PolarHBondContact O-N 3.49Å; L105-I124 HydrophobicContact CD1-CB 4.49Å; L105-I124 HydrophobicContact CD1-CG2 4.08Å; L105-I124 HydrophobicContact CD2-CB 4.23Å; L105-I124 HydrophobicContact CD2-CD1 4.09Å; L105-I124 HydrophobicContact CD2-CG2 4.38Å; L105-I124 HydrophobicContact CG-CG2 4.41Å; L105-V133 HydrophobicContact CD2-CG1 4.42Å; L105-A134 HydrophobicContact CD2-CB 4.32Å; L105-N137 HydrophobicContact CD2-CB 3.8Å
106G98Very high98Very high16 Ų1647 Ų4717%0.16528%0.276CS..Hα-helixtrans-56.7-36.3176.200000113.5S102 L103 E104 F108 V109 D110S102-G106 PolarHBondContact O-N 3.07Å; L103-G106 WeakPolarHBondContact O-CA 3.5Å; L103-G106 PolarHBondContact O-N 3.01Å; L103-G106 VanDerWaalsContact O-N 3.07Å; E104-G106 VanDerWaalsContact C-N 3.29Å; E104-G106 PolarHBondContact O-N 3.01Å; G106-F108 VanDerWaalsContact C-N 3.34Å; G106-F108 PolarHBondContact O-N 2.88Å; G106-V109 WeakPolarHBondContact O-CB 3.09Å; G106-V109 PolarHBondContact O-N 3.44Å; G106-D110 PolarHBondContact O-N 2.9Å
107K98Very high98Very high39 Ų3944 Ų4417%0.1725%0.25CS..Hα-helixtrans-63.4-39.1177.1-59.7176.9-163.7173.10112.4A14 L17 L103 E104 L105 D110 A111A14-K107 WeakPolarHBondContact O-CE 3.44Å; A14-K107 PolarHBondContact O-NZ 3.1Å; L17-K107 HydrophobicContact CD2-CB 3.62Å; L103-K107 PolarHBondContact O-N 3.19Å; L103-K107 VanDerWaalsContact O-N 3.07Å; E104-K107 WeakPolarHBondContact O-CB 3.01Å; E104-K107 PolarHBondContact O-N 3.07Å; E104-K107 WeakPolarHBondContact OE1-CE 3.42Å; E104-K107 IonicContact OE1-NZ 3.92Å; E104-K107 PolarHBondContact OE1-NZ 3.23Å; E104-K107 WeakPolarHBondContact OE2-CD 3.33Å; E104-K107 WeakPolarHBondContact OE2-CE 3.47Å; E104-K107 IonicContact OE2-NZ 2.79Å; E104-K107 PolarHBondContact OE2-NZ 3.47Å; L105-K107 VanDerWaalsContact C-N 3.26Å; L105-K107 PolarHBondContact O-N 2.85Å; K107-D110 PolarHBondContact O-N 3.35Å; K107-A111 WeakPolarHBondContact O-CB 3.45Å; K107-A111 PolarHBondContact O-N 3.31Å
108F98.5Very high97.9Very high6 Ų647.2 Ų47.23%0.02627%0.27CS..Hα-helixtrans-66.5-40.7175.5-71.9-84.3000111.3L17 L18 A20 I34 I61 P63 E104 L105 G106 A111 E112L17-F108 HydrophobicContact CB-CE1 3.96Å; L17-F108 HydrophobicContact CB-CZ 4.03Å; L17-F108 HydrophobicContact CD1-CD1 4.07Å; L17-F108 HydrophobicContact CD1-CE1 4.11Å; L17-F108 HydrophobicContact CD2-CD1 3.91Å; L17-F108 HydrophobicContact CD2-CD2 4.18Å; L17-F108 HydrophobicContact CD2-CE1 4.09Å; L17-F108 HydrophobicContact CD2-CE2 4.32Å; L17-F108 HydrophobicContact CD2-CG 3.96Å; L17-F108 HydrophobicContact CD2-CZ 4.29Å; L17-F108 HydrophobicContact CG-CD1 4.42Å; L17-F108 HydrophobicContact CG-CE1 4.28Å; L18-F108 HydrophobicContact CB-CE2 4.31Å; L18-F108 HydrophobicContact CB-CZ 4.08Å; L18-F108 WeakPolarHBondContact O-CZ 3.36Å; A20-F108 HydrophobicContact CB-CE1 4Å; A20-F108 HydrophobicContact CB-CZ 4.4Å; I34-F108 HydrophobicContact CD1-CB 3.84Å; I34-F108 HydrophobicContact CG1-CB 4.5Å; I34-F108 HydrophobicContact CG2-CB 4.12Å; I61-F108 HydrophobicContact CG2-CD1 3.77Å; I61-F108 HydrophobicContact CG2-CE1 4.04Å; P63-F108 HydrophobicContact CB-CD2 4.34Å; P63-F108 HydrophobicContact CB-CE1 4.28Å; P63-F108 HydrophobicContact CB-CE2 3.63Å; P63-F108 HydrophobicContact CB-CZ 3.59Å; P63-F108 HydrophobicContact CG-CD1 4.08Å; P63-F108 HydrophobicContact CG-CD2 3.77Å; P63-F108 HydrophobicContact CG-CE1 3.85Å; P63-F108 HydrophobicContact CG-CE2 3.54Å; P63-F108 HydrophobicContact CG-CG 4.04Å; P63-F108 HydrophobicContact CG-CZ 3.57Å; E104-F108 VanDerWaalsContact O-CD2 3.3Å; E104-F108 WeakPolarHBondContact O-CD2 3.12Å; L105-F108 PolarHBondContact O-N 3.24Å; L105-F108 VanDerWaalsContact O-N 3.14Å; G106-F108 VanDerWaalsContact C-N 3.34Å; G106-F108 PolarHBondContact O-N 2.88Å; F108-A111 PolarHBondContact O-N 3.12Å; F108-E112 WeakPolarHBondContact O-CG 3.39Å; F108-E112 PolarHBondContact O-N 2.93Å; F108-E112 VanDerWaalsContact O-N 3.12Å
109V98.6Very high97.9Very high0 Ų049.4 Ų49.40%028%0.281CS..Hα-helixtrans-59.1-49.3174.1173.70000110.5I34 L105 G106 A111 E112 I113 I119 I122 I124 L143 Y145I34-V109 HydrophobicContact CD1-CB 4.4Å; I34-V109 HydrophobicContact CD1-CG2 3.69Å; L105-V109 PolarHBondContact O-N 3.49Å; G106-V109 WeakPolarHBondContact O-CB 3.09Å; G106-V109 PolarHBondContact O-N 3.44Å; V109-A111 VanDerWaalsContact C-N 3.29Å; V109-A111 PolarHBondContact O-N 3.31Å; V109-E112 PolarHBondContact O-N 3.01Å; V109-E112 VanDerWaalsContact O-N 3.11Å; V109-I113 HydrophobicContact CG1-CD1 3.95Å; V109-I113 HydrophobicContact CG1-CG1 4.47Å; V109-I113 WeakPolarHBondContact O-CG1 3.49Å; V109-I113 PolarHBondContact O-N 3.26Å; V109-I119 HydrophobicContact CG1-CD1 3.87Å; V109-I122 HydrophobicContact CG1-CD1 4.25Å; V109-I122 HydrophobicContact CG2-CG2 4.44Å; V109-I124 HydrophobicContact CG2-CG2 3.8Å; V109-L143 HydrophobicContact CG1-CD1 3.98Å; V109-Y145 HydrophobicContact CB-CE1 4.49Å; V109-Y145 HydrophobicContact CG1-CE1 3.85Å; V109-Y145 HydrophobicContact CG2-CE1 3.8Å
110D97.9Very high97.8Very high71 Ų7146.8 Ų46.838%0.3828%0.279SS..Hα-helixtrans-60.8-38.3179.2-76.6-14.5000112.3G106 K107 E112 I113 K114G106-D110 PolarHBondContact O-N 2.9Å; K107-D110 PolarHBondContact O-N 3.35Å; D110-E112 VanDerWaalsContact C-N 3.33Å; D110-I113 PolarHBondContact O-N 3.4Å; D110-K114 WeakPolarHBondContact O-CB 3.4Å; D110-K114 WeakPolarHBondContact O-CD 3.34Å; D110-K114 WeakPolarHBondContact O-CG 3.39Å; D110-K114 PolarHBondContact O-N 2.84Å
111A97.8Very high97.8Very high31 Ų3142.8 Ų42.826%0.25626%0.261SS..Hα-helixtrans-62.5-39.9175.700000111.9L17 K107 F108 V109 K114 A115L17-A111 HydrophobicContact CD1-CB 3.93Å; K107-A111 WeakPolarHBondContact O-CB 3.45Å; K107-A111 PolarHBondContact O-N 3.31Å; F108-A111 PolarHBondContact O-N 3.12Å; V109-A111 VanDerWaalsContact C-N 3.29Å; V109-A111 PolarHBondContact O-N 3.31Å; A111-K114 PolarHBondContact O-N 3.11Å; A111-A115 WeakPolarHBondContact O-CB 3.41Å; A111-A115 PolarHBondContact O-N 2.91Å
112E98.1Very high97.9Very high10 Ų1042.6 Ų42.65%0.04726%0.26CS..Hα-helixtrans-69.6-41.1177.1-68.1-56104.500113.1H29 T32 I34 K59 I61 F108 V109 D110 K114 A115 G116 V117 I122H29-E112 IonicContact CE1-OE2 3.32Å; H29-E112 IonicContact NE2-OE2 2.73Å; T32-E112 WeakPolarHBondContact CB-OE2 3.47Å; T32-E112 HydrophobicContact CG2-CG 3.88Å; T32-E112 WeakPolarHBondContact CG2-OE2 3.34Å; T32-E112 PolarHBondContact OG1-OE2 2.86Å; I34-E112 HydrophobicContact CD1-CG 4.42Å; K59-E112 VanDerWaalsContact CE-CD 3.41Å; K59-E112 WeakPolarHBondContact CE-OE1 3.46Å; K59-E112 WeakPolarHBondContact CE-OE2 3.31Å; K59-E112 IonicContact NZ-OE1 3.48Å; K59-E112 PolarHBondContact NZ-OE1 2.91Å; K59-E112 IonicContact NZ-OE2 3.59Å; K59-E112 PolarHBondContact NZ-OE2 3.24Å; I61-E112 HydrophobicContact CD1-CG 3.97Å; I61-E112 WeakPolarHBondContact CD1-OE1 3.25Å; F108-E112 WeakPolarHBondContact O-CG 3.39Å; F108-E112 PolarHBondContact O-N 2.93Å; F108-E112 VanDerWaalsContact O-N 3.12Å; V109-E112 PolarHBondContact O-N 3.01Å; V109-E112 VanDerWaalsContact O-N 3.11Å; D110-E112 VanDerWaalsContact C-N 3.33Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 3.47Å; E112-A115 CarbonylContact O-C 3.46Å; E112-A115 PolarHBondContact O-N 3.43Å; E112-A115 VanDerWaalsContact O-N 3.15Å; E112-G116 PolarHBondContact O-N 2.85Å; E112-G116 VanDerWaalsContact O-N 3.17Å; E112-V117 HydrophobicContact CB-CB 4.33Å; E112-V117 HydrophobicContact CB-CG2 4.43Å; E112-V117 PolarHBondContact O-N 3.5Å; E112-I122 HydrophobicContact CB-CD1 3.7Å; E112-I122 HydrophobicContact CB-CG1 4.39Å
113I97.8Very high97.9Very high68 Ų6842.2 Ų42.235%0.34926%0.257SS..Hα-helixtrans-60.1-46.1174.1-65.1170.1000109.8V109 D110 A115 G116 I119 I122V109-I113 HydrophobicContact CG1-CD1 3.95Å; V109-I113 HydrophobicContact CG1-CG1 4.47Å; V109-I113 WeakPolarHBondContact O-CG1 3.49Å; V109-I113 PolarHBondContact O-N 3.26Å; D110-I113 PolarHBondContact O-N 3.4Å; I113-A115 VanDerWaalsContact C-N 3.25Å; I113-A115 PolarHBondContact O-N 3.26Å; I113-G116 WeakPolarHBondContact O-CA 3.37Å; I113-G116 PolarHBondContact O-N 2.96Å; I113-I119 HydrophobicContact CD1-CB 4.48Å; I113-I119 HydrophobicContact CD1-CD1 4.18Å; I113-I122 HydrophobicContact CG1-CD1 3.79Å
114K97.1Very high97.9Very high160 Ų16036.5 Ų36.570%0.69623%0.227SC*.Hα-helixtrans-62.8-32.2176.6-72.6167.8-173.5170.40112.4D110 A111 E112 G116D110-K114 WeakPolarHBondContact O-CB 3.4Å; D110-K114 WeakPolarHBondContact O-CD 3.34Å; D110-K114 WeakPolarHBondContact O-CG 3.39Å; D110-K114 PolarHBondContact O-N 2.84Å; A111-K114 PolarHBondContact O-N 3.11Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 3.47Å; K114-G116 PolarHBondContact O-N 3.03Å
115A96.4Very high98Very high72 Ų7235 Ų3560%0.59522%0.22SC*.THydrogen-bonded Turntrans-75.9-3.5173.700000113.6A111 E112 I113A111-A115 WeakPolarHBondContact O-CB 3.41Å; A111-A115 PolarHBondContact O-N 2.91Å; E112-A115 CarbonylContact O-C 3.46Å; E112-A115 PolarHBondContact O-N 3.43Å; E112-A115 VanDerWaalsContact O-N 3.15Å; I113-A115 VanDerWaalsContact C-N 3.25Å; I113-A115 PolarHBondContact O-N 3.26Å
116G96.7Very high98Very high61 Ų6134.9 Ų34.963%0.62922%0.22SC*.THydrogen-bonded Turntrans98.78.6173.800000115.2E112 I113 K114 P118E112-G116 PolarHBondContact O-N 2.85Å; E112-G116 VanDerWaalsContact O-N 3.17Å; I113-G116 WeakPolarHBondContact O-CA 3.37Å; I113-G116 PolarHBondContact O-N 2.96Å; K114-G116 PolarHBondContact O-N 3.03Å; G116-P118 WeakPolarHBondContact O-CD 2.9Å
117V97.5Very high98Very high8 Ų834.9 Ų34.95%0.04822%0.215CC..  trans-79.6120.1174.2-172.70000109H29 E112 N121 I122H29-V117 WeakPolarHBondContact CE1-CG2 3Å; E112-V117 HydrophobicContact CB-CB 4.33Å; E112-V117 HydrophobicContact CB-CG2 4.43Å; E112-V117 PolarHBondContact O-N 3.5Å; V117-N121 HydrophobicContact CG1-CB 4.15Å; V117-I122 HydrophobicContact CB-CG1 4.34Å; V117-I122 HydrophobicContact CG1-CD1 4.42Å; V117-I122 HydrophobicContact CG1-CG1 3.75Å
118P97.4Very high98Very high76 Ų7633.4 Ų33.449%0.49421%0.21SC..  trans-60.1142.3176-22.433.7000111.3G116 G120 N121G116-P118 WeakPolarHBondContact O-CD 2.9Å; P118-G120 PolarHBondContact O-N 2.9Å; P118-N121 WeakPolarHBondContact O-CA 3.29Å; P118-N121 WeakPolarHBondContact O-CB 3.27Å; P118-N121 PolarHBondContact O-N 2.88Å
119I97.7Very high98Very high46 Ų4633.1 Ų33.124%0.23621%0.208CC..G310 helixtrans-56.7-35.9-179.1-175.154.7000113.3V109 I113 N121 I122 L143 Y145 G146V109-I119 HydrophobicContact CG1-CD1 3.87Å; I113-I119 HydrophobicContact CD1-CB 4.48Å; I113-I119 HydrophobicContact CD1-CD1 4.18Å; I119-N121 PolarHBondContact O-N 2.86Å; I119-N121 VanDerWaalsContact O-N 3.13Å; I119-I122 HydrophobicContact CD1-CB 4.39Å; I119-I122 HydrophobicContact CD1-CD1 4.23Å; I119-I122 PolarHBondContact O-N 3.32Å; I119-L143 HydrophobicContact CD1-CB 4.05Å; I119-L143 HydrophobicContact CD1-CD1 4.08Å; I119-L143 HydrophobicContact CD1-CG 4.49Å; I119-L143 HydrophobicContact CG1-CB 3.98Å; I119-L143 HydrophobicContact CG1-CD2 4.37Å; I119-Y145 HydrophobicContact CD1-CD1 3.61Å; I119-Y145 HydrophobicContact CD1-CE1 3.71Å; I119-G146 PolarHBondContact O-N 3.43Å
120G97.6Very high98Very high31 Ų3133.1 Ų33.132%0.3221%0.208SC..G310 helixtrans-67.3-7.5174.300000114.6P118 G146P118-G120 PolarHBondContact O-N 2.9Å; G120-G146 WeakPolarHBondContact O-CA 3.39Å
121N98.3Very high98.1Very high38 Ų3829.8 Ų29.820%0.20319%0.19CC..G310 helixtrans-109.77.9174.3-65.413.2000112.2S30 A31 T32 V117 P118 I119 I235S30-N121 WeakPolarHBondContact O-CB 3.38Å; S30-N121 PolarHBondContact O-ND2 3.26Å; A31-N121 CarbonylContact C-O 3.17Å; A31-N121 VanDerWaalsContact CA-O 3.24Å; A31-N121 WeakPolarHBondContact CA-O 2.85Å; A31-N121 HydrophobicContact CB-CB 4.2Å; A31-N121 WeakPolarHBondContact CB-O 3.45Å; T32-N121 PolarHBondContact N-O 3Å; V117-N121 HydrophobicContact CG1-CB 4.15Å; P118-N121 WeakPolarHBondContact O-CA 3.29Å; P118-N121 WeakPolarHBondContact O-CB 3.27Å; P118-N121 PolarHBondContact O-N 2.88Å; I119-N121 PolarHBondContact O-N 2.86Å; I119-N121 VanDerWaalsContact O-N 3.13Å; N121-I235 HydrophobicContact CB-CG2 4.06Å
122I98.7Very high98.1Very high0 Ų028.3 Ų28.30%018%0.178CC..EExtended strand (participates in β ladder)trans-101.6124.3173.6-59.2174000108.5T32 I34 V109 E112 I113 V117 I119 I124 Y145 G146T32-I122 WeakPolarHBondContact O-CA 3.46Å; I34-I122 HydrophobicContact CD1-CG2 4.07Å; V109-I122 HydrophobicContact CG1-CD1 4.25Å; V109-I122 HydrophobicContact CG2-CG2 4.44Å; E112-I122 HydrophobicContact CB-CD1 3.7Å; E112-I122 HydrophobicContact CB-CG1 4.39Å; I113-I122 HydrophobicContact CG1-CD1 3.79Å; V117-I122 HydrophobicContact CB-CG1 4.34Å; V117-I122 HydrophobicContact CG1-CD1 4.42Å; V117-I122 HydrophobicContact CG1-CG1 3.75Å; I119-I122 HydrophobicContact CD1-CB 4.39Å; I119-I122 HydrophobicContact CD1-CD1 4.23Å; I119-I122 PolarHBondContact O-N 3.32Å; I122-I124 HydrophobicContact CG2-CG2 4.44Å; I122-Y145 HydrophobicContact CG2-CD1 4.47Å; I122-G146 PolarHBondContact O-N 3.41Å
123V98.9Very high98.2Very high0 Ų027.8 Ų27.80%018%0.176CC..EExtended strand (participates in β ladder)trans-105.2131169.6-178.90000108.1T32 L33 I34 F58 G147 V149 L231 I235T32-V123 PolarHBondContact O-N 2.97Å; L33-V123 WeakPolarHBondContact CA-O 3.37Å; L33-V123 HydrophobicContact CD1-CB 3.87Å; L33-V123 HydrophobicContact CD1-CG1 3.62Å; I34-V123 PolarHBondContact N-O 3.48Å; F58-V123 HydrophobicContact CE1-CG2 4.05Å; F58-V123 HydrophobicContact CZ-CG2 4.49Å; V123-G147 WeakPolarHBondContact CA-O 3.48Å; V123-G147 WeakPolarHBondContact CG1-O 3.12Å; V123-V149 HydrophobicContact CG1-CB 4.42Å; V123-V149 HydrophobicContact CG1-CG2 3.68Å; V123-L231 HydrophobicContact CB-CD2 4.26Å; V123-L231 HydrophobicContact CG1-CD2 4.06Å; V123-L231 HydrophobicContact CG2-CD2 3.8Å; V123-I235 HydrophobicContact CG2-CD1 3.17Å; V123-I235 HydrophobicContact CG2-CG1 4.5Å
124I98.9Very high98.2Very high0 Ų024.6 Ų24.60%016%0.159CC..EExtended strand (participates in β ladder)trans-106147168.658.4168.9000109.5I34 L105 V109 I122 N137 A138 Y145 G147 V148 V149I34-I124 HydrophobicContact CB-CG2 4.48Å; I34-I124 HydrophobicContact CD1-CG2 4.5Å; I34-I124 CarbonylContact O-C 3.55Å; I34-I124 WeakPolarHBondContact O-CA 3.5Å; L105-I124 HydrophobicContact CD1-CB 4.49Å; L105-I124 HydrophobicContact CD1-CG2 4.08Å; L105-I124 HydrophobicContact CD2-CB 4.23Å; L105-I124 HydrophobicContact CD2-CD1 4.09Å; L105-I124 HydrophobicContact CD2-CG2 4.38Å; L105-I124 HydrophobicContact CG-CG2 4.41Å; V109-I124 HydrophobicContact CG2-CG2 3.8Å; I122-I124 HydrophobicContact CG2-CG2 4.44Å; I124-N137 HydrophobicContact CD1-CB 4.29Å; I124-A138 HydrophobicContact CD1-CB 3.93Å; I124-Y145 HydrophobicContact CD1-CD2 3.82Å; I124-Y145 HydrophobicContact CD1-CE1 4.24Å; I124-Y145 HydrophobicContact CD1-CE2 3.47Å; I124-Y145 VanDerWaalsContact CD1-CE2 3.47Å; I124-Y145 HydrophobicContact CD1-CG 4.34Å; I124-Y145 HydrophobicContact CG1-CD1 4.36Å; I124-Y145 HydrophobicContact CG1-CD2 4.15Å; I124-Y145 HydrophobicContact CG1-CE1 4.45Å; I124-Y145 HydrophobicContact CG1-CE2 4.23Å; I124-Y145 HydrophobicContact CG1-CG 4.21Å; I124-Y145 HydrophobicContact CG2-CD1 4.16Å; I124-Y145 HydrophobicContact CG2-CE1 3.88Å; I124-G147 PolarHBondContact N-O 2.92Å; I124-V148 HydrophobicContact CG1-CG2 4.35Å; I124-V148 CarbonylContact O-C 3.56Å; I124-V148 VanDerWaalsContact O-CA 3.29Å; I124-V148 WeakPolarHBondContact O-CA 3.35Å; I124-V149 PolarHBondContact O-N 3.04Å
125G98.9Very high98.3Very high0 Ų017.1 Ų17.10%013%0.127CC..EExtended strand (participates in β ladder)trans-171.4-173.6176.300000113.8I34 F35 L36 V149I34-G125 PolarHBondContact O-N 3.05Å; F35-G125 CarbonylContact C-O 3.49Å; F35-G125 WeakPolarHBondContact CA-O 3.39Å; L36-G125 PolarHBondContact N-O 3.21Å; G125-V149 CarbonylContact C-O 3.53Å; G125-V149 WeakPolarHBondContact CA-O 3.38Å
126G98.9Very high98.4Very high0 Ų014.5 Ų14.50%010%0.102CC..EExtended strand (participates in β ladder)trans176.1178.5174.300000113.6L36 G131 V149 F151L36-G126 CarbonylContact O-C 3.26Å; L36-G126 WeakPolarHBondContact O-CA 3.45Å; G126-G131 VanDerWaalsContact C-CA 3.42Å; G126-G131 VanDerWaalsContact C-N 3.29Å; G126-G131 WeakPolarHBondContact O-CA 3.38Å; G126-V149 PolarHBondContact N-O 3.16Å; G126-F151 PolarHBondContact O-N 3.27Å
127F98.9Very high98.5Very high16 Ų1612.1 Ų12.17%0.078%0.075CC..EExtended strand (participates in β ladder)trans-110.5138.7176.6175-97.6000110.9F35 L36 G38 W46 Q129 G130 G131 F151 H217F35-F127 HydrophobicContact CE1-CB 3.95Å; F35-F127 HydrophobicContact CZ-CB 4.07Å; L36-F127 PolarHBondContact O-N 3.09Å; G38-F127 WeakPolarHBondContact CA-O 3.5Å; G38-F127 PolarHBondContact N-O 2.73Å; W46-F127 HydrophobicContact CD2-CB 4.41Å; W46-F127 AromaticContact CE2-CG 3.93Å; W46-F127 HydrophobicContact CH2-CB 3.68Å; W46-F127 AromaticContact CH2-CD2 3.59Å; W46-F127 HydrophobicContact CH2-CD2 3.59Å; W46-F127 HydrophobicContact CH2-CE2 4.38Å; W46-F127 AromaticContact CH2-CG 3.71Å; W46-F127 HydrophobicContact CH2-CG 3.71Å; W46-F127 HydrophobicContact CZ2-CB 3.21Å; W46-F127 AromaticContact CZ2-CD1 3.65Å; W46-F127 HydrophobicContact CZ2-CD1 3.65Å; W46-F127 AromaticContact CZ2-CD2 3.48Å; W46-F127 HydrophobicContact CZ2-CD2 3.48Å; W46-F127 VanDerWaalsContact CZ2-CD2 3.48Å; W46-F127 HydrophobicContact CZ2-CE1 4.36Å; W46-F127 HydrophobicContact CZ2-CE2 4.22Å; W46-F127 AromaticContact CZ2-CG 3.15Å; W46-F127 HydrophobicContact CZ2-CG 3.15Å; W46-F127 HydrophobicContact CZ3-CB 4.45Å; F127-Q129 PolarHBondContact O-N 3.19Å; F127-Q129 VanDerWaalsContact O-N 3.17Å; F127-G130 PolarHBondContact O-N 3.43Å; F127-G131 PolarHBondContact O-N 3.11Å; F127-F151 CarbonylContact C-O 3.58Å; F127-F151 WeakPolarHBondContact CA-O 3.44Å; F127-F151 HydrophobicContact CB-CB 4.32Å; F127-F151 HydrophobicContact CD2-CB 3.87Å; F127-H217 AromaticContact CE1-CD2 3.96Å; F127-H217 AromaticContact CE1-NE2 3.58Å; F127-H217 AromaticContact CZ-CD2 3.76Å; F127-H217 AromaticContact CZ-CE1 3.68Å; F127-H217 AromaticContact CZ-CG 3.95Å; F127-H217 AromaticContact CZ-ND1 3.91Å; F127-H217 AromaticContact CZ-NE2 3.61Å
128S98.4Very high98.5Very high8 Ų811.8 Ų11.86%0.0567%0.073CC..THydrogen-bonded Turntrans51.5-120.8175.4-171.40000110.9G130 G131 S132 F151 S152 C153 H217S128-G130 VanDerWaalsContact C-N 3.28Å; S128-G130 PolarHBondContact O-N 2.85Å; S128-G131 PolarHBondContact O-N 3.03Å; S128-G131 VanDerWaalsContact O-N 3.1Å; S128-S132 PolarHBondContact O-N 3.31Å; S128-S132 PolarHBondContact O-OG 3.49Å; S128-F151 PolarHBondContact N-O 3.32Å; S128-S152 WeakPolarHBondContact CA-O 3.2Å; S128-C153 WeakPolarHBondContact O-CB 3.5Å; S128-H217 WeakPolarHBondContact CB-NE2 3.46Å; S128-H217 PolarHBondContact OG-CE1 3.49Å; S128-H217 PolarHBondContact OG-NE2 3.42Å
129Q98.4Very high98.6Very high0 Ų08.3 Ų8.30%05%0.05CC..Hα-helixtrans-52.7-41.7175.8-168.7-178.549.400113.6W81 Y82 I84 F127 G131 S132 V133W81-Q129 HydrophobicContact CB-CG 4.27Å; Y82-Q129 HydrophobicContact CD1-CG 4.1Å; Y82-Q129 HydrophobicContact CE1-CG 3.5Å; Y82-Q129 HydrophobicContact CE2-CG 4.2Å; Y82-Q129 PolarHBondContact O-NE2 3.48Å; I84-Q129 HydrophobicContact CD1-CG 4.33Å; F127-Q129 PolarHBondContact O-N 3.19Å; F127-Q129 VanDerWaalsContact O-N 3.17Å; Q129-G131 PolarHBondContact O-N 3.34Å; Q129-S132 VanDerWaalsContact O-CB 3.31Å; Q129-S132 WeakPolarHBondContact O-CB 3.39Å; Q129-S132 PolarHBondContact O-N 2.99Å; Q129-V133 PolarHBondContact O-N 3.49Å; Q129-V133 VanDerWaalsContact O-N 3.08Å
130G98.8Very high98.6Very high0 Ų08 Ų80%05%0.051CC..Hα-helixtrans-66.4-36.817900000113L36 H37 F127 S128 S132 V133 A134L36-G130 VanDerWaalsContact CB-CA 3.47Å; H37-G130 WeakPolarHBondContact O-CA 3.38Å; H37-G130 PolarHBondContact O-N 3.02Å; F127-G130 PolarHBondContact O-N 3.43Å; S128-G130 VanDerWaalsContact C-N 3.28Å; S128-G130 PolarHBondContact O-N 2.85Å; G130-S132 VanDerWaalsContact C-N 3.31Å; G130-S132 PolarHBondContact O-N 3.05Å; G130-V133 PolarHBondContact O-N 3.3Å; G130-A134 PolarHBondContact O-N 3.3Å
131G98.8Very high98.5Very high0 Ų07.5 Ų7.50%04%0.042CC..Hα-helixtrans-64-38.7173.200000111.9G126 F127 S128 Q129 V133 A134 L135G126-G131 VanDerWaalsContact C-CA 3.42Å; G126-G131 VanDerWaalsContact C-N 3.29Å; G126-G131 WeakPolarHBondContact O-CA 3.38Å; F127-G131 PolarHBondContact O-N 3.11Å; S128-G131 PolarHBondContact O-N 3.03Å; S128-G131 VanDerWaalsContact O-N 3.1Å; Q129-G131 PolarHBondContact O-N 3.34Å; G131-V133 PolarHBondContact O-N 2.84Å; G131-A134 PolarHBondContact O-N 3.03Å; G131-L135 WeakPolarHBondContact O-CG 3.27Å; G131-L135 PolarHBondContact O-N 2.66Å
132S98.7Very high98.4Very high0 Ų011 Ų110%07%0.065CC..Hα-helixtrans-61.1-42.3174.4-58.60000112.3Y82 S128 Q129 G130 Y136 W154 P156Y82-S132 WeakPolarHBondContact OH-CB 3.29Å; S128-S132 PolarHBondContact O-N 3.31Å; S128-S132 PolarHBondContact O-OG 3.49Å; Q129-S132 VanDerWaalsContact O-CB 3.31Å; Q129-S132 WeakPolarHBondContact O-CB 3.39Å; Q129-S132 PolarHBondContact O-N 2.99Å; G130-S132 VanDerWaalsContact C-N 3.31Å; G130-S132 PolarHBondContact O-N 3.05Å; S132-Y136 PolarHBondContact O-N 3.1Å; S132-Y136 VanDerWaalsContact O-N 3.08Å; S132-W154 WeakPolarHBondContact CA-O 3.41Å; S132-W154 WeakPolarHBondContact CB-O 3.12Å; S132-W154 VanDerWaalsContact OG-CD2 3.23Å; S132-W154 VanDerWaalsContact OG-CE3 3.3Å; S132-W154 PolarHBondContact OG-N 2.92Å; S132-W154 PolarHBondContact OG-O 2.75Å; S132-P156 VanDerWaalsContact O-CD 3.28Å; S132-P156 WeakPolarHBondContact O-CD 3.41Å; S132-P156 WeakPolarHBondContact O-CG 3.39Å
133V98.9Very high98.2Very high0 Ų013.6 Ų13.60%08%0.078CC..Hα-helixtrans-62.7-46.7173.51770000111L36 W81 Y82 A101 L105 Q129 G130 G131 L135 Y136 N137L36-V133 HydrophobicContact CD1-CB 3.73Å; L36-V133 HydrophobicContact CD1-CG1 3.56Å; W81-V133 HydrophobicContact CB-CG2 3.75Å; W81-V133 HydrophobicContact CG-CG2 4.02Å; Y82-V133 HydrophobicContact CD1-CG2 3.84Å; Y82-V133 HydrophobicContact CE1-CG2 3.58Å; A101-V133 HydrophobicContact CB-CG1 3.87Å; A101-V133 HydrophobicContact CB-CG2 3.75Å; L105-V133 HydrophobicContact CD2-CG1 4.42Å; Q129-V133 PolarHBondContact O-N 3.49Å; Q129-V133 VanDerWaalsContact O-N 3.08Å; G130-V133 PolarHBondContact O-N 3.3Å; G131-V133 PolarHBondContact O-N 2.84Å; V133-L135 PolarHBondContact O-N 2.86Å; V133-Y136 PolarHBondContact O-N 3.02Å; V133-N137 WeakPolarHBondContact O-CB 3.44Å; V133-N137 PolarHBondContact O-N 2.91Å
134A98.9Very high98.1Very high0 Ų018.1 Ų18.10%010%0.1CC..Hα-helixtrans-61.6-43.1-179.300000112.2L105 G130 G131 N137 A138L105-A134 HydrophobicContact CD2-CB 4.32Å; G130-A134 PolarHBondContact O-N 3.3Å; G131-A134 PolarHBondContact O-N 3.03Å; A134-N137 PolarHBondContact O-N 3.01Å; A134-A138 VanDerWaalsContact O-CB 3.32Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.08Å
135L98.7Very high98.1Very high3 Ų318.4 Ų18.42%0.01610%0.101CC..Hα-helixtrans-60.2-47.4174.2-77.2172.6000111.9G131 V133 A138 L139 V148 A150 L155 V176 T195 L199G131-L135 WeakPolarHBondContact O-CG 3.27Å; G131-L135 PolarHBondContact O-N 2.66Å; V133-L135 PolarHBondContact O-N 2.86Å; L135-A138 PolarHBondContact O-N 2.65Å; L135-L139 WeakPolarHBondContact O-CB 3.31Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.24Å; L135-L139 PolarHBondContact O-N 2.91Å; L135-V148 HydrophobicContact CD2-CG1 4.14Å; L135-A150 HydrophobicContact CD1-CB 4.04Å; L135-A150 HydrophobicContact CD2-CB 4.07Å; L135-A150 HydrophobicContact CG-CB 4.01Å; L135-L155 HydrophobicContact CB-CD1 4.39Å; L135-V176 HydrophobicContact CD2-CG1 4.27Å; L135-T195 HydrophobicContact CD1-CG2 3.84Å; L135-L199 HydrophobicContact CD2-CD1 4.33Å
136Y98.7Very high98Very high17 Ų1718.8 Ų18.87%0.06711%0.105CC..Hα-helixtrans-61.3-47.6178.7-178.9-95.5000112I98 K99 S132 V133 A138 L139 T140 P156 L157 F161I98-Y136 HydrophobicContact CG2-CD1 3.82Å; I98-Y136 HydrophobicContact CG2-CD2 3.99Å; I98-Y136 HydrophobicContact CG2-CE1 4.16Å; I98-Y136 HydrophobicContact CG2-CE2 4.34Å; I98-Y136 HydrophobicContact CG2-CG 3.72Å; K99-Y136 WeakPolarHBondContact CE-OH 3.47Å; K99-Y136 HydrophobicContact CG-CE1 4.07Å; K99-Y136 WeakPolarHBondContact CG-OH 3.45Å; S132-Y136 PolarHBondContact O-N 3.1Å; S132-Y136 VanDerWaalsContact O-N 3.08Å; V133-Y136 PolarHBondContact O-N 3.02Å; Y136-A138 PolarHBondContact O-N 2.92Å; Y136-L139 PolarHBondContact O-N 3.32Å; Y136-T140 HydrophobicContact CD2-CG2 4.35Å; Y136-T140 HydrophobicContact CE1-CG2 4.23Å; Y136-T140 HydrophobicContact CE2-CG2 3.9Å; Y136-T140 WeakPolarHBondContact O-CB 3.38Å; Y136-T140 WeakPolarHBondContact O-CG2 3.34Å; Y136-T140 PolarHBondContact O-N 2.83Å; Y136-T140 VanDerWaalsContact O-N 3.07Å; Y136-T140 PolarHBondContact O-OG1 3.12Å; Y136-P156 HydrophobicContact CD2-CG 4.43Å; Y136-P156 HydrophobicContact CG-CG 4.44Å; Y136-L157 HydrophobicContact CD2-CD1 4.34Å; Y136-L157 HydrophobicContact CE2-CD1 3.75Å; Y136-F161 AromaticContact CD2-CE2 3.86Å; Y136-F161 HydrophobicContact CD2-CE2 3.86Å; Y136-F161 AromaticContact CD2-CZ 3.76Å; Y136-F161 HydrophobicContact CD2-CZ 3.76Å; Y136-F161 HydrophobicContact CE2-CE2 4.17Å; Y136-F161 AromaticContact CE2-CZ 3.93Å; Y136-F161 HydrophobicContact CE2-CZ 3.93Å
137N98.7Very high98Very high11 Ų1118.8 Ų18.86%0.05911%0.105CC..Hα-helixtrans-58.1-49.6177.4-179.7-78.9000110.9S102 L105 I124 V133 A134 L139 T140 S141 Y145S102-N137 PolarHBondContact O-ND2 3.45Å; S102-N137 VanDerWaalsContact OG-CA 3.27Å; S102-N137 WeakPolarHBondContact OG-CA 3.44Å; S102-N137 VanDerWaalsContact OG-CB 3.27Å; S102-N137 WeakPolarHBondContact OG-CB 3.03Å; S102-N137 PolarHBondContact OG-ND2 2.93Å; S102-N137 VanDerWaalsContact OG-ND2 3.1Å; L105-N137 HydrophobicContact CD2-CB 3.8Å; I124-N137 HydrophobicContact CD1-CB 4.29Å; V133-N137 WeakPolarHBondContact O-CB 3.44Å; V133-N137 PolarHBondContact O-N 2.91Å; A134-N137 PolarHBondContact O-N 3.01Å; N137-L139 PolarHBondContact O-N 2.87Å; N137-T140 PolarHBondContact O-N 2.97Å; N137-T140 PolarHBondContact O-OG1 2.89Å; N137-S141 WeakPolarHBondContact O-CB 3.41Å; N137-S141 PolarHBondContact O-N 2.85Å; N137-Y145 PolarHBondContact OD1-OH 2.82Å
138A98.4Very high98Very high1 Ų118 Ų181%0.00810%0.102CC..Hα-helixtrans-57.2-51.5179.600000111.4I124 A134 L135 Y136 T140 S141 Y145 V148 M170I124-A138 HydrophobicContact CD1-CB 3.93Å; A134-A138 VanDerWaalsContact O-CB 3.32Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.08Å; L135-A138 PolarHBondContact O-N 2.65Å; Y136-A138 PolarHBondContact O-N 2.92Å; A138-T140 VanDerWaalsContact C-N 3.28Å; A138-T140 PolarHBondContact O-N 2.92Å; A138-S141 PolarHBondContact O-N 3.15Å; A138-Y145 HydrophobicContact CB-CD2 4.37Å; A138-Y145 HydrophobicContact CB-CE2 4.45Å; A138-V148 HydrophobicContact CB-CG1 4.25Å; A138-V148 HydrophobicContact CB-CG2 3.45Å; A138-V148 VanDerWaalsContact CB-CG2 3.45Å; A138-M170 VanDerWaalsContact C-SD 3.58Å; A138-M170 HydrophobicContact CB-SD 3.5Å; A138-M170 WeakPolarHBondContact CB-SD 3.36Å; A138-M170 VanDerWaalsContact O-CB 3.22Å; A138-M170 WeakPolarHBondContact O-CB 3.11Å; A138-M170 WeakPolarHBondContact O-CG 3.11Å
139L98.1Very high98Very high3 Ų317.7 Ų17.72%0.01610%0.099CC..Hα-helixtrans-63.9-29.3-176.4-71.9170.5000114L135 Y136 N137 L155 F161 L168 T169 M170 L199 F202 L204L135-L139 WeakPolarHBondContact O-CB 3.31Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.24Å; L135-L139 PolarHBondContact O-N 2.91Å; Y136-L139 PolarHBondContact O-N 3.32Å; N137-L139 PolarHBondContact O-N 2.87Å; L139-L155 HydrophobicContact CD1-CD1 3.33Å; L139-L155 HydrophobicContact CD1-CD2 3.91Å; L139-L155 HydrophobicContact CD1-CG 4.28Å; L139-F161 HydrophobicContact CB-CE1 3.82Å; L139-F161 HydrophobicContact CB-CZ 3.8Å; L139-F161 HydrophobicContact CD1-CE2 4.38Å; L139-F161 HydrophobicContact CD1-CZ 4.24Å; L139-L168 HydrophobicContact CB-CD2 4.36Å; L139-L168 HydrophobicContact CD2-CD2 4.01Å; L139-L168 WeakPolarHBondContact O-CA 3.12Å; L139-T169 PolarHBondContact O-N 3.25Å; L139-M170 HydrophobicContact CD2-CE 4Å; L139-M170 PolarHBondContact O-N 3.25Å; L139-L199 HydrophobicContact CD1-CD2 4.04Å; L139-L199 HydrophobicContact CD2-CD2 4.09Å; L139-F202 HydrophobicContact CD2-CD2 4.44Å; L139-L204 HydrophobicContact CD2-CD1 3.79Å
140T97.9Very high98Very high41 Ų4117.7 Ų17.725%0.25210%0.099SC..Hα-helixtrans-101.12.2-17957.20000114.1Y136 N137 A138 F161 T169Y136-T140 HydrophobicContact CD2-CG2 4.35Å; Y136-T140 HydrophobicContact CE1-CG2 4.23Å; Y136-T140 HydrophobicContact CE2-CG2 3.9Å; Y136-T140 WeakPolarHBondContact O-CB 3.38Å; Y136-T140 WeakPolarHBondContact O-CG2 3.34Å; Y136-T140 PolarHBondContact O-N 2.83Å; Y136-T140 VanDerWaalsContact O-N 3.07Å; Y136-T140 PolarHBondContact O-OG1 3.12Å; N137-T140 PolarHBondContact O-N 2.97Å; N137-T140 PolarHBondContact O-OG1 2.89Å; A138-T140 VanDerWaalsContact C-N 3.28Å; A138-T140 PolarHBondContact O-N 2.92Å; T140-F161 HydrophobicContact CG2-CE1 3.66Å; T140-F161 HydrophobicContact CG2-CZ 3.66Å; T140-T169 PolarHBondContact O-OG1 3.07Å; T140-T169 VanDerWaalsContact O-OG1 3.07Å
141S96Very high98Very high19 Ų1917.7 Ų17.713%0.13310%0.099CC..  trans-99149.1176-176.20000110.9N137 A138 L143 T169 M170N137-S141 WeakPolarHBondContact O-CB 3.41Å; N137-S141 PolarHBondContact O-N 2.85Å; A138-S141 PolarHBondContact O-N 3.15Å; S141-L143 VanDerWaalsContact C-N 3.32Å; S141-L143 VanDerWaalsContact OG-CB 3.29Å; S141-L143 WeakPolarHBondContact OG-CB 3.36Å; S141-L143 VanDerWaalsContact OG-CG 3.31Å; S141-L143 WeakPolarHBondContact OG-CG 3.38Å; S141-L143 PolarHBondContact OG-N 3.17Å; S141-L143 VanDerWaalsContact OG-N 3.08Å; S141-T169 PolarHBondContact N-OG1 3.4Å; S141-T169 CarbonylContact O-C 3.56Å; S141-T169 PolarHBondContact O-OG1 3.28Å; S141-M170 WeakPolarHBondContact O-CA 3.33Å; S141-M170 PolarHBondContact O-N 3.45Å; S141-M170 VanDerWaalsContact O-N 3.15Å
142T95.1Very high98Very high112 Ų11217.7 Ų17.769%0.68710%0.099SC*.  trans-89.1-4.3168.453.10000112T169T142-T169 HydrophobicContact CG2-CG2 4.41Å
143L95.9Very high98Very high54 Ų5417.7 Ų17.728%0.28310%0.099SC..  trans-69.6134.5-180-62.3178.4000111V109 I119 S141 Y145V109-L143 HydrophobicContact CG1-CD1 3.98Å; I119-L143 HydrophobicContact CD1-CB 4.05Å; I119-L143 HydrophobicContact CD1-CD1 4.08Å; I119-L143 HydrophobicContact CD1-CG 4.49Å; I119-L143 HydrophobicContact CG1-CB 3.98Å; I119-L143 HydrophobicContact CG1-CD2 4.37Å; S141-L143 VanDerWaalsContact C-N 3.32Å; S141-L143 VanDerWaalsContact OG-CB 3.29Å; S141-L143 WeakPolarHBondContact OG-CB 3.36Å; S141-L143 VanDerWaalsContact OG-CG 3.31Å; S141-L143 WeakPolarHBondContact OG-CG 3.38Å; S141-L143 PolarHBondContact OG-N 3.17Å; S141-L143 VanDerWaalsContact OG-N 3.08Å; L143-Y145 HydrophobicContact CB-CE1 4.42Å; L143-Y145 HydrophobicContact CB-CE2 4.3Å; L143-Y145 HydrophobicContact CD1-CE1 4.31Å; L143-Y145 PolarHBondContact O-N 3.1Å
144Q96.2Very high98Very high96 Ų9618.3 Ų18.345%0.44910%0.101SC..  trans-8977.9174.9-166.2172.6-300109.6P171 D173 V174Q144-P171 HydrophobicContact CB-CG 4Å; Q144-P171 HydrophobicContact CG-CB 4.25Å; Q144-P171 HydrophobicContact CG-CG 4.19Å; Q144-D173 PolarHBondContact NE2-OD1 3.19Å; Q144-D173 PolarHBondContact NE2-OD2 3.06Å; Q144-V174 HydrophobicContact CG-CG2 4.13Å
145Y98.2Very high97.9Very high5 Ų518.3 Ų18.32%0.0210%0.101CC..  trans-55.1149173-64.7-65.1000111.1V109 I119 I122 I124 N137 A138 L143 G147V109-Y145 HydrophobicContact CB-CE1 4.49Å; V109-Y145 HydrophobicContact CG1-CE1 3.85Å; V109-Y145 HydrophobicContact CG2-CE1 3.8Å; I119-Y145 HydrophobicContact CD1-CD1 3.61Å; I119-Y145 HydrophobicContact CD1-CE1 3.71Å; I122-Y145 HydrophobicContact CG2-CD1 4.47Å; I124-Y145 HydrophobicContact CD1-CD2 3.82Å; I124-Y145 HydrophobicContact CD1-CE1 4.24Å; I124-Y145 HydrophobicContact CD1-CE2 3.47Å; I124-Y145 VanDerWaalsContact CD1-CE2 3.47Å; I124-Y145 HydrophobicContact CD1-CG 4.34Å; I124-Y145 HydrophobicContact CG1-CD1 4.36Å; I124-Y145 HydrophobicContact CG1-CD2 4.15Å; I124-Y145 HydrophobicContact CG1-CE1 4.45Å; I124-Y145 HydrophobicContact CG1-CE2 4.23Å; I124-Y145 HydrophobicContact CG1-CG 4.21Å; I124-Y145 HydrophobicContact CG2-CD1 4.16Å; I124-Y145 HydrophobicContact CG2-CE1 3.88Å; N137-Y145 PolarHBondContact OD1-OH 2.82Å; A138-Y145 HydrophobicContact CB-CD2 4.37Å; A138-Y145 HydrophobicContact CB-CE2 4.45Å; L143-Y145 HydrophobicContact CB-CE1 4.42Å; L143-Y145 HydrophobicContact CB-CE2 4.3Å; L143-Y145 HydrophobicContact CD1-CE1 4.31Å; L143-Y145 PolarHBondContact O-N 3.1Å; Y145-G147 PolarHBondContact O-N 3.5Å
146G97.9Very high97.9Very high9 Ų918.1 Ų18.19%0.09310%0.101CC..SBendtrans-66.2-22.1172.700000113.3I119 G120 I122 P175I119-G146 PolarHBondContact O-N 3.43Å; G120-G146 WeakPolarHBondContact O-CA 3.39Å; I122-G146 PolarHBondContact O-N 3.41Å; G146-P175 WeakPolarHBondContact O-CD 3.37Å; G146-P175 WeakPolarHBondContact O-CG 3.25Å
147G98.5Very high97.8Very high0 Ų018 Ų180%010%0.101CC..EExtended strand (participates in β ladder)trans178.7168169.300000112.8V123 I124 Y145 P175V123-G147 WeakPolarHBondContact CA-O 3.48Å; V123-G147 WeakPolarHBondContact CG1-O 3.12Å; I124-G147 PolarHBondContact N-O 2.92Å; Y145-G147 PolarHBondContact O-N 3.5Å; G147-P175 CarbonylContact C-O 3.6Å; G147-P175 VanDerWaalsContact CA-O 3.27Å; G147-P175 WeakPolarHBondContact CA-O 3.42Å
148V98.8Very high97.6Very high0 Ų018.4 Ų18.40%010%0.103CC..EExtended strand (participates in β ladder)trans-121.9133.9172.8-175.30000108.9I124 L135 A138 M170 V174 P175 V176 F177I124-V148 HydrophobicContact CG1-CG2 4.35Å; I124-V148 CarbonylContact O-C 3.56Å; I124-V148 VanDerWaalsContact O-CA 3.29Å; I124-V148 WeakPolarHBondContact O-CA 3.35Å; L135-V148 HydrophobicContact CD2-CG1 4.14Å; A138-V148 HydrophobicContact CB-CG1 4.25Å; A138-V148 HydrophobicContact CB-CG2 3.45Å; A138-V148 VanDerWaalsContact CB-CG2 3.45Å; V148-M170 HydrophobicContact CG2-SD 4.34Å; V148-V174 HydrophobicContact CG2-CG1 3.94Å; V148-P175 PolarHBondContact N-O 2.9Å; V148-V176 HydrophobicContact CB-CG1 4.29Å; V148-V176 HydrophobicContact CB-CG2 4.21Å; V148-V176 CarbonylContact O-C 3.57Å; V148-V176 WeakPolarHBondContact O-CA 3.32Å; V148-F177 PolarHBondContact O-N 2.96Å
149V98.8Very high97.5Very high0 Ų022.5 Ų22.50%013%0.127CC..EExtended strand (participates in β ladder)trans-119.4123.6-1791690000110F35 V123 I124 G125 G126 F151 F177 L227 F230F35-V149 HydrophobicContact CE2-CG1 4.11Å; V123-V149 HydrophobicContact CG1-CB 4.42Å; V123-V149 HydrophobicContact CG1-CG2 3.68Å; I124-V149 PolarHBondContact O-N 3.04Å; G125-V149 CarbonylContact C-O 3.53Å; G125-V149 WeakPolarHBondContact CA-O 3.38Å; G126-V149 PolarHBondContact N-O 3.16Å; V149-F151 HydrophobicContact CG1-CD2 3.39Å; V149-F151 HydrophobicContact CG1-CE2 3.19Å; V149-F151 HydrophobicContact CG1-CZ 4.36Å; V149-F177 WeakPolarHBondContact CA-O 3.47Å; V149-F177 HydrophobicContact CG1-CD1 4.17Å; V149-F177 HydrophobicContact CG2-CB 4.26Å; V149-F177 HydrophobicContact CG2-CD1 4.39Å; V149-L227 HydrophobicContact CB-CD1 4.48Å; V149-L227 HydrophobicContact CG1-CD1 3.95Å; V149-L227 HydrophobicContact CG2-CD1 3.68Å; V149-F230 HydrophobicContact CG2-CD1 4.11Å; V149-F230 HydrophobicContact CG2-CE1 3.85Å
150A98.8Very high97.3Very high0 Ų026 Ų260%014%0.142CC..EExtended strand (participates in β ladder)trans-132.795.9-169.900000111L135 F177 Q178 C179L135-A150 HydrophobicContact CD1-CB 4.04Å; L135-A150 HydrophobicContact CD2-CB 4.07Å; L135-A150 HydrophobicContact CG-CB 4.01Å; A150-F177 PolarHBondContact N-O 3.45Å; A150-Q178 HydrophobicContact CB-CB 4.48Å; A150-Q178 HydrophobicContact CB-CG 4.22Å; A150-Q178 WeakPolarHBondContact O-CA 3.44Å; A150-C179 PolarHBondContact O-N 3.28Å
151F98.7Very high97.3Very high0 Ų024.1 Ų24.10%013%0.131CC..EExtended strand (participates in β ladder)trans-96.9122.1-177.6-77.2-135.4000110.6F35 W46 G126 F127 S128 V149 C153 F177 E223 M224 L227F35-F151 HydrophobicContact CE2-CD2 4.41Å; F35-F151 HydrophobicContact CZ-CG 4.46Å; W46-F151 HydrophobicContact CH2-CD1 4.39Å; W46-F151 HydrophobicContact CZ3-CD1 4.37Å; G126-F151 PolarHBondContact O-N 3.27Å; F127-F151 CarbonylContact C-O 3.58Å; F127-F151 WeakPolarHBondContact CA-O 3.44Å; F127-F151 HydrophobicContact CB-CB 4.32Å; F127-F151 HydrophobicContact CD2-CB 3.87Å; S128-F151 PolarHBondContact N-O 3.32Å; V149-F151 HydrophobicContact CG1-CD2 3.39Å; V149-F151 HydrophobicContact CG1-CE2 3.19Å; V149-F151 HydrophobicContact CG1-CZ 4.36Å; F151-C153 VanDerWaalsContact C-N 3.26Å; F151-C153 PolarHBondContact O-N 3.06Å; F151-C153 VanDerWaalsContact O-N 3.12Å; F151-F177 AromaticContact CE2-CD1 3.86Å; F151-F177 HydrophobicContact CE2-CD1 3.86Å; F151-F177 AromaticContact CE2-CE1 3.66Å; F151-F177 HydrophobicContact CE2-CE1 3.66Å; F151-F177 AromaticContact CZ-CE1 3.97Å; F151-F177 HydrophobicContact CZ-CE1 3.97Å; F151-E223 HydrophobicContact CD1-CG 4.1Å; F151-E223 WeakPolarHBondContact CD1-OE1 3.1Å; F151-E223 WeakPolarHBondContact CD1-OE2 3.45Å; F151-E223 HydrophobicContact CE1-CG 3.57Å; F151-E223 WeakPolarHBondContact CE1-OE2 3.5Å; F151-E223 HydrophobicContact CZ-CG 3.98Å; F151-M224 HydrophobicContact CE1-SD 3.9Å; F151-M224 HydrophobicContact CZ-SD 4.33Å; F151-L227 HydrophobicContact CE2-CD1 4.34Å; F151-L227 HydrophobicContact CE2-CD2 4.33Å; F151-L227 HydrophobicContact CZ-CB 4.06Å; F151-L227 HydrophobicContact CZ-CD2 3.85Å; F151-L227 HydrophobicContact CZ-CG 4.35Å
152S98.6Very high97.1Very high0 Ų028.1 Ų28.10%015%0.149CC..SBendtrans44.847.6172-59.60000113.7S128 C179S128-S152 WeakPolarHBondContact CA-O 3.2Å; S152-C179 PolarHBondContact N-O 3.39Å
153C98.3Very high97.1Very high0 Ų027.3 Ų27.30%015%0.148CC..  trans-128.4-173-17372.30000112.7S128 F151S128-C153 WeakPolarHBondContact O-CB 3.5Å; F151-C153 VanDerWaalsContact C-N 3.26Å; F151-C153 PolarHBondContact O-N 3.06Å; F151-C153 VanDerWaalsContact O-N 3.12Å
154W97.9Very high97.1Very high13 Ų1326.9 Ų26.95%0.04915%0.149CC..  trans-135.3162.6177.767.499.6000111.1Y82 I84 L87 S132 P156 I187 M191 T195Y82-W154 VanDerWaalsContact OH-CZ2 3.26Å; Y82-W154 WeakPolarHBondContact OH-CZ2 3.46Å; I84-W154 HydrophobicContact CD1-CH2 4.13Å; L87-W154 HydrophobicContact CD2-CH2 3.91Å; L87-W154 HydrophobicContact CD2-CZ2 4.36Å; L87-W154 HydrophobicContact CD2-CZ3 4.3Å; S132-W154 WeakPolarHBondContact CA-O 3.41Å; S132-W154 WeakPolarHBondContact CB-O 3.12Å; S132-W154 VanDerWaalsContact OG-CD2 3.23Å; S132-W154 VanDerWaalsContact OG-CE3 3.3Å; S132-W154 PolarHBondContact OG-N 2.92Å; S132-W154 PolarHBondContact OG-O 2.75Å; W154-P156 WeakPolarHBondContact O-CD 3.33Å; W154-I187 HydrophobicContact CE3-CD1 3.78Å; W154-I187 HydrophobicContact CE3-CG1 4.31Å; W154-I187 HydrophobicContact CE3-CG2 4.15Å; W154-I187 HydrophobicContact CH2-CD1 4.32Å; W154-I187 HydrophobicContact CZ3-CD1 3.45Å; W154-I187 VanDerWaalsContact CZ3-CD1 3.45Å; W154-I187 HydrophobicContact CZ3-CG1 4.13Å; W154-M191 HydrophobicContact CB-CB 4.44Å; W154-M191 HydrophobicContact CB-CE 4Å; W154-M191 HydrophobicContact CD2-CE 4.35Å; W154-M191 HydrophobicContact CG-CE 3.97Å; W154-T195 WeakPolarHBondContact CA-OG1 3.44Å
155L97.9Very high96.9Very high0 Ų026.4 Ų26.40%015%0.154CC..  trans-80.2110.1167.3175.756.7000109.8L135 L139 H158 F161 T195 L198 F202L135-L155 HydrophobicContact CB-CD1 4.39Å; L139-L155 HydrophobicContact CD1-CD1 3.33Å; L139-L155 HydrophobicContact CD1-CD2 3.91Å; L139-L155 HydrophobicContact CD1-CG 4.28Å; L155-H158 HydrophobicContact CB-CB 4.39Å; L155-H158 HydrophobicContact CD2-CB 4.02Å; L155-H158 HydrophobicContact CG-CB 4Å; L155-H158 PolarHBondContact O-ND1 3.08Å; L155-F161 HydrophobicContact CD1-CD2 4.13Å; L155-F161 HydrophobicContact CD1-CE2 3.7Å; L155-F161 HydrophobicContact CD2-CD2 4.09Å; L155-F161 HydrophobicContact CD2-CE2 4.47Å; L155-F161 HydrophobicContact CG-CD2 4.27Å; L155-F161 HydrophobicContact CG-CE2 4.31Å; L155-T195 HydrophobicContact CB-CG2 3.82Å; L155-T195 PolarHBondContact N-OG1 3.17Å; L155-L198 HydrophobicContact CD2-CB 4.47Å; L155-L198 HydrophobicContact CD2-CD1 4.36Å; L155-F202 HydrophobicContact CD2-CE2 3.75Å; L155-F202 HydrophobicContact CD2-CZ 4.43Å
156P97.7Very high96.7Very high0 Ų031.8 Ų31.80%019%0.188CC..THydrogen-bonded Turntrans-70.4151.9172.733.1-37.2000109.9I98 S132 Y136 W154 H158I98-P156 HydrophobicContact CD1-CB 3.82Å; I98-P156 HydrophobicContact CG1-CB 4.39Å; I98-P156 HydrophobicContact CG2-CB 4.32Å; I98-P156 HydrophobicContact CG2-CG 4.12Å; S132-P156 VanDerWaalsContact O-CD 3.28Å; S132-P156 WeakPolarHBondContact O-CD 3.41Å; S132-P156 WeakPolarHBondContact O-CG 3.39Å; Y136-P156 HydrophobicContact CD2-CG 4.43Å; Y136-P156 HydrophobicContact CG-CG 4.44Å; W154-P156 WeakPolarHBondContact O-CD 3.33Å; P156-H158 PolarHBondContact O-N 3.08Å; P156-H158 VanDerWaalsContact O-N 3.14Å
157L96.8Very high96.6Very high13 Ų1334.2 Ų34.27%0.06820%0.198CC..THydrogen-bonded Turntrans55.628.7179.2-50.9173.9000113.3Q93 E95 I98 Y136 T159 K160 F161Q93-L157 HydrophobicContact CB-CD2 4.05Å; E95-L157 HydrophobicContact CB-CD1 4.12Å; E95-L157 HydrophobicContact CB-CD2 3.96Å; E95-L157 HydrophobicContact CG-CD1 3.76Å; E95-L157 HydrophobicContact CG-CD2 4.36Å; I98-L157 HydrophobicContact CB-CD1 4.5Å; I98-L157 HydrophobicContact CD1-CD1 4.34Å; I98-L157 HydrophobicContact CD1-CD2 4.21Å; I98-L157 HydrophobicContact CD1-CG 4.05Å; I98-L157 HydrophobicContact CG2-CD1 4.18Å; Y136-L157 HydrophobicContact CD2-CD1 4.34Å; Y136-L157 HydrophobicContact CE2-CD1 3.75Å; L157-T159 PolarHBondContact O-N 3.25Å; L157-T159 VanDerWaalsContact O-N 3.16Å; L157-K160 HydrophobicContact CB-CB 4.35Å; L157-K160 WeakPolarHBondContact O-CA 3.02Å; L157-K160 WeakPolarHBondContact O-CB 3.39Å; L157-K160 PolarHBondContact O-N 3.24Å; L157-F161 WeakPolarHBondContact O-CD2 3.42Å; L157-F161 PolarHBondContact O-N 3.26Å
158H95.8Very high96.5Very high21 Ų2135.6 Ų35.610%0.09721%0.205CC..Hα-helixtrans-54.1-36.8-177.659-90.4000113.6E89 L155 P156 K160 F161 M162 L198E89-H158 PolarHBondContact O-CE1 2.93Å; L155-H158 HydrophobicContact CB-CB 4.39Å; L155-H158 HydrophobicContact CD2-CB 4.02Å; L155-H158 HydrophobicContact CG-CB 4Å; L155-H158 PolarHBondContact O-ND1 3.08Å; P156-H158 PolarHBondContact O-N 3.08Å; P156-H158 VanDerWaalsContact O-N 3.14Å; H158-K160 VanDerWaalsContact C-N 3.25Å; H158-K160 PolarHBondContact O-N 3.45Å; H158-F161 PolarHBondContact O-N 3.18Å; H158-M162 WeakPolarHBondContact O-CG 3.38Å; H158-M162 PolarHBondContact O-N 3.49Å; H158-M162 VanDerWaalsContact O-N 3.11Å; H158-L198 HydrophobicContact CB-CD1 3.58Å
159T94.8Very high96.4Very high86 Ų8638.1 Ų38.153%0.52822%0.221SC..Hα-helixtrans-63.5-29.6175.555.80000112.8L157 S163L157-T159 PolarHBondContact O-N 3.25Å; L157-T159 VanDerWaalsContact O-N 3.16Å; T159-S163 WeakPolarHBondContact O-CB 3.3Å; T159-S163 PolarHBondContact O-N 3.41Å; T159-S163 PolarHBondContact O-OG 2.98Å
160K95.6Very high96.3Very high77 Ų7738.5 Ų38.534%0.33522%0.223SC..Hα-helixtrans-71.9-40.4173.6-71.1-155.1171.6-157.30112.4E95 L157 H158 M162 S163 S164 L167E95-K160 IonicContact OE1-NZ 2.63Å; E95-K160 PolarHBondContact OE1-NZ 2.98Å; E95-K160 WeakPolarHBondContact OE2-CE 3.23Å; E95-K160 IonicContact OE2-NZ 3.74Å; E95-K160 PolarHBondContact OE2-NZ 3.47Å; L157-K160 HydrophobicContact CB-CB 4.35Å; L157-K160 WeakPolarHBondContact O-CA 3.02Å; L157-K160 WeakPolarHBondContact O-CB 3.39Å; L157-K160 PolarHBondContact O-N 3.24Å; H158-K160 VanDerWaalsContact C-N 3.25Å; H158-K160 PolarHBondContact O-N 3.45Å; K160-M162 VanDerWaalsContact C-N 3.26Å; K160-M162 PolarHBondContact O-N 3.01Å; K160-S163 WeakPolarHBondContact CA-OG 3.38Å; K160-S163 PolarHBondContact O-N 2.91Å; K160-S163 PolarHBondContact O-OG 3.46Å; K160-S164 WeakPolarHBondContact O-CA 3.38Å; K160-S164 WeakPolarHBondContact O-CB 3.35Å; K160-S164 PolarHBondContact O-N 3.31Å; K160-L167 HydrophobicContact CB-CD1 4.01Å
161F95.9Very high96.2Very high2 Ų240 Ų401%0.00923%0.233CC..Hα-helixtrans-61.5-38.3174.1-71.2-71.7000111.9Y136 L139 T140 L155 L157 H158 S164 L167 L168 F202Y136-F161 AromaticContact CD2-CE2 3.86Å; Y136-F161 HydrophobicContact CD2-CE2 3.86Å; Y136-F161 AromaticContact CD2-CZ 3.76Å; Y136-F161 HydrophobicContact CD2-CZ 3.76Å; Y136-F161 HydrophobicContact CE2-CE2 4.17Å; Y136-F161 AromaticContact CE2-CZ 3.93Å; Y136-F161 HydrophobicContact CE2-CZ 3.93Å; L139-F161 HydrophobicContact CB-CE1 3.82Å; L139-F161 HydrophobicContact CB-CZ 3.8Å; L139-F161 HydrophobicContact CD1-CE2 4.38Å; L139-F161 HydrophobicContact CD1-CZ 4.24Å; T140-F161 HydrophobicContact CG2-CE1 3.66Å; T140-F161 HydrophobicContact CG2-CZ 3.66Å; L155-F161 HydrophobicContact CD1-CD2 4.13Å; L155-F161 HydrophobicContact CD1-CE2 3.7Å; L155-F161 HydrophobicContact CD2-CD2 4.09Å; L155-F161 HydrophobicContact CD2-CE2 4.47Å; L155-F161 HydrophobicContact CG-CD2 4.27Å; L155-F161 HydrophobicContact CG-CE2 4.31Å; L157-F161 WeakPolarHBondContact O-CD2 3.42Å; L157-F161 PolarHBondContact O-N 3.26Å; H158-F161 PolarHBondContact O-N 3.18Å; F161-S164 CarbonylContact O-C 3.53Å; F161-L167 HydrophobicContact CD1-CB 3.86Å; F161-L167 HydrophobicContact CE1-CB 4.01Å; F161-L168 HydrophobicContact CB-CD2 4.21Å; F161-L168 HydrophobicContact CD1-CD2 3.3Å; F161-L168 HydrophobicContact CD1-CG 3.8Å; F161-L168 HydrophobicContact CE1-CD2 3.84Å; F161-L168 HydrophobicContact CG-CD2 3.99Å; F161-F202 HydrophobicContact CB-CE1 4.37Å; F161-F202 HydrophobicContact CB-CE2 4.12Å; F161-F202 HydrophobicContact CB-CZ 3.66Å
162M92.6Very high96Very high103 Ų10343.8 Ų43.851%0.50725%0.249SC..Hα-helixtrans-68-41.7176.7-68.2-66.2-71.900113H158 K160 L198 F202H158-M162 WeakPolarHBondContact O-CG 3.38Å; H158-M162 PolarHBondContact O-N 3.49Å; H158-M162 VanDerWaalsContact O-N 3.11Å; K160-M162 VanDerWaalsContact C-N 3.26Å; K160-M162 PolarHBondContact O-N 3.01Å; M162-L198 HydrophobicContact CE-CD2 4.5Å; M162-L198 HydrophobicContact CG-CD2 3.98Å; M162-L198 HydrophobicContact SD-CD2 3.6Å; M162-F202 HydrophobicContact SD-CE1 3.71Å; M162-F202 HydrophobicContact SD-CZ 4.18Å
163S95.6Very high95.8Very high95 Ų9546.7 Ų46.766%0.66427%0.265SS*.Hα-helixtrans-83.8-19.5-178.8530000114T159 K160T159-S163 WeakPolarHBondContact O-CB 3.3Å; T159-S163 PolarHBondContact O-N 3.41Å; T159-S163 PolarHBondContact O-OG 2.98Å; K160-S163 WeakPolarHBondContact CA-OG 3.38Å; K160-S163 PolarHBondContact O-N 2.91Å; K160-S163 PolarHBondContact O-OG 3.46Å
164S95.6Very high95.8Very high44 Ų4446.8 Ų46.831%0.30827%0.265SS..  trans-135.779178.3-1650000110.7K160 F161 T166 L167K160-S164 WeakPolarHBondContact O-CA 3.38Å; K160-S164 WeakPolarHBondContact O-CB 3.35Å; K160-S164 PolarHBondContact O-N 3.31Å; F161-S164 CarbonylContact O-C 3.53Å; S164-T166 PolarHBondContact O-N 2.87Å; S164-T166 PolarHBondContact OG-OG1 3.49Å; S164-L167 WeakPolarHBondContact O-CB 3.31Å; S164-L167 WeakPolarHBondContact O-CG 3.28Å; S164-L167 PolarHBondContact O-N 3.45Å
165P91.4Very high95.8Very high86 Ų8646.6 Ų46.656%0.55827%0.266SS*.G310 helixtrans-58.8-19.4-179.6-26.535.6000114.4L167 L168P165-L167 PolarHBondContact O-N 2.98Å; P165-L168 WeakPolarHBondContact O-CB 3.35Å; P165-L168 PolarHBondContact O-N 3.33Å
166T95.3Very high95.8Very high118 Ų11846.7 Ų46.772%0.72427%0.266SS*.G310 helixtrans-63.8-17.2173.949.70000113.6S164 L168S164-T166 PolarHBondContact O-N 2.87Å; S164-T166 PolarHBondContact OG-OG1 3.49Å; T166-L168 PolarHBondContact O-N 3.43Å
167L95.6Very high95.9Very high60 Ų6046.7 Ų46.731%0.31427%0.266SS..G310 helixtrans-70.6-19.9171.3-67177.3000112.8K160 F161 S164 P165 T169K160-L167 HydrophobicContact CB-CD1 4.01Å; F161-L167 HydrophobicContact CD1-CB 3.86Å; F161-L167 HydrophobicContact CE1-CB 4.01Å; S164-L167 WeakPolarHBondContact O-CB 3.31Å; S164-L167 WeakPolarHBondContact O-CG 3.28Å; S164-L167 PolarHBondContact O-N 3.45Å; P165-L167 PolarHBondContact O-N 2.98Å; L167-T169 PolarHBondContact O-N 2.72Å
168L96.5Very high96Very high29 Ų2946.1 Ų46.115%0.15226%0.263CS..  trans-8592.5-179.3-62.9168.1000110L139 F161 P165 T166 F202L139-L168 HydrophobicContact CB-CD2 4.36Å; L139-L168 HydrophobicContact CD2-CD2 4.01Å; L139-L168 WeakPolarHBondContact O-CA 3.12Å; F161-L168 HydrophobicContact CB-CD2 4.21Å; F161-L168 HydrophobicContact CD1-CD2 3.3Å; F161-L168 HydrophobicContact CD1-CG 3.8Å; F161-L168 HydrophobicContact CE1-CD2 3.84Å; F161-L168 HydrophobicContact CG-CD2 3.99Å; P165-L168 WeakPolarHBondContact O-CB 3.35Å; P165-L168 PolarHBondContact O-N 3.33Å; T166-L168 PolarHBondContact O-N 3.43Å; L168-F202 HydrophobicContact CD1-CB 4.05Å; L168-F202 HydrophobicContact CD1-CD1 3.45Å; L168-F202 VanDerWaalsContact CD1-CD1 3.45Å; L168-F202 HydrophobicContact CD1-CD2 4.19Å; L168-F202 HydrophobicContact CD1-CE1 3.91Å; L168-F202 HydrophobicContact CD1-CG 3.63Å; L168-F202 HydrophobicContact CD1-CZ 4.45Å; L168-F202 HydrophobicContact CD2-CB 4.5Å; L168-F202 HydrophobicContact CD2-CD1 4.46Å; L168-F202 HydrophobicContact CD2-CD2 3.71Å; L168-F202 HydrophobicContact CD2-CE2 3.99Å; L168-F202 HydrophobicContact CD2-CG 3.98Å; L168-F202 HydrophobicContact CD2-CZ 4.48Å; L168-F202 HydrophobicContact CG-CG 4.49Å
169T97Very high96.1Very high54 Ų5445.1 Ų45.133%0.33126%0.258SS..  trans-104.7-11.4-178.456.60000113.6L139 T140 S141 T142 L167L139-T169 PolarHBondContact O-N 3.25Å; T140-T169 PolarHBondContact O-OG1 3.07Å; T140-T169 VanDerWaalsContact O-OG1 3.07Å; S141-T169 PolarHBondContact N-OG1 3.4Å; S141-T169 CarbonylContact O-C 3.56Å; S141-T169 PolarHBondContact O-OG1 3.28Å; T142-T169 HydrophobicContact CG2-CG2 4.41Å; L167-T169 PolarHBondContact O-N 2.72Å
170M96.6Very high96.3Very high7 Ų741 Ų413%0.03423%0.233CC..SBendtrans-60133.7-178.2-163.7171.672.500112.2A138 L139 S141 V148 K172 V174 V176 L204A138-M170 VanDerWaalsContact C-SD 3.58Å; A138-M170 HydrophobicContact CB-SD 3.5Å; A138-M170 WeakPolarHBondContact CB-SD 3.36Å; A138-M170 VanDerWaalsContact O-CB 3.22Å; A138-M170 WeakPolarHBondContact O-CB 3.11Å; A138-M170 WeakPolarHBondContact O-CG 3.11Å; L139-M170 HydrophobicContact CD2-CE 4Å; L139-M170 PolarHBondContact O-N 3.25Å; S141-M170 WeakPolarHBondContact O-CA 3.33Å; S141-M170 PolarHBondContact O-N 3.45Å; S141-M170 VanDerWaalsContact O-N 3.15Å; V148-M170 HydrophobicContact CG2-SD 4.34Å; M170-K172 PolarHBondContact O-N 3.4Å; M170-V174 HydrophobicContact CE-CB 4.37Å; M170-V174 HydrophobicContact CG-CB 4.28Å; M170-V174 HydrophobicContact CG-CG2 4.09Å; M170-V174 HydrophobicContact SD-CB 4.21Å; M170-V174 HydrophobicContact SD-CG1 4.17Å; M170-V176 HydrophobicContact CE-CG2 4.26Å; M170-L204 HydrophobicContact CE-CD1 3.33Å; M170-L204 HydrophobicContact CE-CD2 3.29Å; M170-L204 HydrophobicContact CE-CG 3.92Å
171P95.7Very high96.4Very high32 Ų3237.3 Ų37.321%0.20822%0.217CC..  trans-56.4135.8169.9-2333.4000111.6Q144 D173 V174Q144-P171 HydrophobicContact CB-CG 4Å; Q144-P171 HydrophobicContact CG-CB 4.25Å; Q144-P171 HydrophobicContact CG-CG 4.19Å; P171-D173 WeakPolarHBondContact CB-OD1 3.35Å; P171-D173 PolarHBondContact O-N 3.15Å; P171-V174 HydrophobicContact CB-CG2 4.1Å; P171-V174 HydrophobicContact CG-CG2 4.41Å; P171-V174 WeakPolarHBondContact O-CG2 3.49Å; P171-V174 PolarHBondContact O-N 3.5Å
172K95.3Very high96.5Very high80 Ų8041 Ų4135%0.34824%0.236SC..THydrogen-bonded Turntrans-71.7-11.8-169.1-58.5-56.7-176.1-175.60114.8M170 F202 L204 S205M170-K172 PolarHBondContact O-N 3.4Å; K172-F202 WeakPolarHBondContact CE-O 3.18Å; K172-F202 PolarHBondContact NZ-O 2.94Å; K172-L204 HydrophobicContact CD-CD2 3.96Å; K172-S205 PolarHBondContact O-N 3.23Å; K172-S205 PolarHBondContact O-OG 2.72Å
173D94.9Very high96.8Very high61 Ų6140.4 Ų40.433%0.32623%0.233SC..THydrogen-bonded Turntrans-102.82-177.370.7-44.2000113.3Q144 P171 K206Q144-D173 PolarHBondContact NE2-OD1 3.19Å; Q144-D173 PolarHBondContact NE2-OD2 3.06Å; P171-D173 WeakPolarHBondContact CB-OD1 3.35Å; P171-D173 PolarHBondContact O-N 3.15Å; D173-K206 VanDerWaalsContact O-CD 3.3Å; D173-K206 WeakPolarHBondContact O-CD 3.25Å; D173-K206 WeakPolarHBondContact O-CE 3.35Å; D173-K206 PolarHBondContact O-NZ 3.11Å
174V97.1Very high96.9Very high1 Ų136.2 Ų36.21%0.00620%0.203CC..  trans-63.4123.3168.7176.20000108.5Q144 V148 M170 P171Q144-V174 HydrophobicContact CG-CG2 4.13Å; V148-V174 HydrophobicContact CG2-CG1 3.94Å; M170-V174 HydrophobicContact CE-CB 4.37Å; M170-V174 HydrophobicContact CG-CB 4.28Å; M170-V174 HydrophobicContact CG-CG2 4.09Å; M170-V174 HydrophobicContact SD-CB 4.21Å; M170-V174 HydrophobicContact SD-CG1 4.17Å; P171-V174 HydrophobicContact CB-CG2 4.1Å; P171-V174 HydrophobicContact CG-CG2 4.41Å; P171-V174 WeakPolarHBondContact O-CG2 3.49Å; P171-V174 PolarHBondContact O-N 3.5Å
175P98.2Very high96.9Very high10 Ų1043.7 Ų43.77%0.06523%0.226CC..  trans-75.2137.2-179.731.7-34000110.9G146 G147 V148 K206 F230 N234G146-P175 WeakPolarHBondContact O-CD 3.37Å; G146-P175 WeakPolarHBondContact O-CG 3.25Å; G147-P175 CarbonylContact C-O 3.6Å; G147-P175 VanDerWaalsContact CA-O 3.27Å; G147-P175 WeakPolarHBondContact CA-O 3.42Å; V148-P175 PolarHBondContact N-O 2.9Å; P175-K206 WeakPolarHBondContact CA-O 3.34Å; P175-K206 HydrophobicContact CB-CB 4.13Å; P175-K206 HydrophobicContact CB-CD 4.39Å; P175-F230 HydrophobicContact CB-CE2 3.79Å; P175-F230 HydrophobicContact CB-CZ 3.94Å; P175-F230 HydrophobicContact CG-CE2 4.38Å; P175-F230 HydrophobicContact CG-CZ 4.1Å; P175-N234 HydrophobicContact CG-CB 4.03Å; P175-N234 WeakPolarHBondContact CG-OD1 3.45Å
176V98.6Very high97.1Very high1 Ų142.8 Ų42.81%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-121.9114.1179.6-175.20000109.5L135 V148 M170 L199 K206 C207 E208L135-V176 HydrophobicContact CD2-CG1 4.27Å; V148-V176 HydrophobicContact CB-CG1 4.29Å; V148-V176 HydrophobicContact CB-CG2 4.21Å; V148-V176 CarbonylContact O-C 3.57Å; V148-V176 WeakPolarHBondContact O-CA 3.32Å; M170-V176 HydrophobicContact CE-CG2 4.26Å; V176-L199 HydrophobicContact CG1-CD1 4.01Å; V176-K206 PolarHBondContact N-O 3.42Å; V176-C207 HydrophobicContact CB-CB 4Å; V176-C207 WeakPolarHBondContact O-CA 3.5Å; V176-E208 PolarHBondContact O-N 3.23Å
177F98.7Very high97.2Very high1 Ų137.2 Ų37.20%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-93.799172.7-178.3-113.9000109.5V148 V149 A150 F151 C179 E208 N210 D226 L227 F230V148-F177 PolarHBondContact O-N 2.96Å; V149-F177 WeakPolarHBondContact CA-O 3.47Å; V149-F177 HydrophobicContact CG1-CD1 4.17Å; V149-F177 HydrophobicContact CG2-CB 4.26Å; V149-F177 HydrophobicContact CG2-CD1 4.39Å; A150-F177 PolarHBondContact N-O 3.45Å; F151-F177 AromaticContact CE2-CD1 3.86Å; F151-F177 HydrophobicContact CE2-CD1 3.86Å; F151-F177 AromaticContact CE2-CE1 3.66Å; F151-F177 HydrophobicContact CE2-CE1 3.66Å; F151-F177 AromaticContact CZ-CE1 3.97Å; F151-F177 HydrophobicContact CZ-CE1 3.97Å; F177-C179 WeakPolarHBondContact CE1-SG 3.49Å; F177-C179 WeakPolarHBondContact CZ-SG 3.36Å; F177-E208 HydrophobicContact CD2-CG 4.08Å; F177-E208 WeakPolarHBondContact CD2-OE1 3.48Å; F177-N210 WeakPolarHBondContact CD2-ND2 3.45Å; F177-N210 WeakPolarHBondContact CE2-ND2 3.3Å; F177-D226 HydrophobicContact CE2-CB 4.09Å; F177-D226 HydrophobicContact CZ-CB 3.77Å; F177-L227 HydrophobicContact CD1-CD1 4.03Å; F177-L227 HydrophobicContact CE1-CB 3.77Å; F177-L227 HydrophobicContact CE1-CD1 4.12Å; F177-L227 HydrophobicContact CZ-CB 4.24Å; F177-F230 HydrophobicContact CB-CB 4.41Å; F177-F230 HydrophobicContact CB-CD1 3.78Å; F177-F230 HydrophobicContact CB-CD2 3.61Å; F177-F230 HydrophobicContact CB-CE1 3.84Å; F177-F230 HydrophobicContact CB-CE2 3.64Å; F177-F230 HydrophobicContact CB-CG 3.66Å; F177-F230 HydrophobicContact CB-CZ 3.77Å; F177-F230 HydrophobicContact CD2-CB 3.95Å; F177-F230 HydrophobicContact CD2-CD2 4.12Å; F177-F230 HydrophobicContact CD2-CG 4.07Å; F177-F230 HydrophobicContact CE2-CB 4.31Å; F177-F230 HydrophobicContact CG-CB 4.15Å; F177-F230 HydrophobicContact CG-CD1 4.26Å; F177-F230 HydrophobicContact CG-CD2 4.16Å; F177-F230 AromaticContact CG-CG 3.94Å; F177-F230 HydrophobicContact CG-CG 3.94Å
178Q98.8Very high97.2Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-97.9136.6172.8-165.2-178.9-2.500110A150 G192 H196 E208 L209 N210A150-Q178 HydrophobicContact CB-CB 4.48Å; A150-Q178 HydrophobicContact CB-CG 4.22Å; A150-Q178 WeakPolarHBondContact O-CA 3.44Å; Q178-G192 PolarHBondContact NE2-O 3.39Å; Q178-H196 VanDerWaalsContact OE1-CB 3.27Å; Q178-E208 WeakPolarHBondContact CA-O 3.35Å; Q178-E208 WeakPolarHBondContact CB-O 3.27Å; Q178-E208 PolarHBondContact N-O 2.92Å; Q178-L209 HydrophobicContact CB-CD1 4.16Å; Q178-L209 HydrophobicContact CG-CD1 3.83Å; Q178-L209 CarbonylContact O-C 3.6Å; Q178-L209 WeakPolarHBondContact O-CA 3.49Å; Q178-N210 PolarHBondContact O-N 2.95Å
179C98.5Very high97.3Very high0 Ų038.2 Ų38.20%019%0.191CC..EExtended strand (participates in β ladder)trans-131.5147.2176-67.50000111.1A150 S152 F177 N210 Y212 E223A150-C179 PolarHBondContact O-N 3.28Å; S152-C179 PolarHBondContact N-O 3.39Å; F177-C179 WeakPolarHBondContact CE1-SG 3.49Å; F177-C179 WeakPolarHBondContact CZ-SG 3.36Å; C179-N210 CarbonylContact C-O 3.55Å; C179-N210 VanDerWaalsContact CA-O 3.27Å; C179-N210 WeakPolarHBondContact CA-O 3.46Å; C179-Y212 HydrophobicContact CB-CE2 3.86Å; C179-E223 HydrophobicContact CB-CG 3.9Å; C179-E223 WeakPolarHBondContact CB-OE1 3.36Å
180H98.7Very high97.3Very high0 Ų038.9 Ų38.90%020%0.202CC..EExtended strand (participates in β ladder)trans-154.2142.2177-138.6111.9000112.4D184 I187 F189 G192 L209 N210 C211 Y212H180-D184 IonicContact CD2-OD2 2.73Å; H180-D184 IonicContact NE2-OD2 2.72Å; H180-D184 PolarHBondContact NE2-OD2 2.81Å; H180-I187 PolarHBondContact NE2-O 3.04Å; H180-F189 HydrophobicContact CB-CD2 3.91Å; H180-F189 HydrophobicContact CB-CE2 4.34Å; H180-G192 WeakPolarHBondContact ND1-CA 3.33Å; H180-L209 HydrophobicContact CB-CD1 4.47Å; H180-N210 PolarHBondContact N-O 2.82Å; H180-C211 WeakPolarHBondContact O-CA 3.22Å; H180-Y212 PolarHBondContact O-N 3.16Å
181G98.6Very high97.3Very high0 Ų039.5 Ų39.50%021%0.205CC..EExtended strand (participates in β ladder)trans-79.1133.916800000113.2E183 D184 L215G181-E183 PolarHBondContact O-N 3.08Å; G181-D184 WeakPolarHBondContact O-CB 3.34Å; G181-D184 PolarHBondContact O-N 3.16Å; G181-L215 CarbonylContact C-O 3.46Å; G181-L215 VanDerWaalsContact C-O 3.26Å; G181-L215 WeakPolarHBondContact CA-O 3.46Å
182L98.3Very high97.4Very high78 Ų7838 Ų3841%0.40820%0.195SC..THydrogen-bonded Turntrans-74.8-16.1179.1-62.9-171.3000113.1F189 C211 Y212 P213 L215L182-F189 HydrophobicContact CD2-CB 4.37Å; L182-F189 HydrophobicContact CD2-CD1 3.69Å; L182-F189 HydrophobicContact CD2-CD2 3.68Å; L182-F189 HydrophobicContact CD2-CE1 3.81Å; L182-F189 HydrophobicContact CD2-CE2 3.8Å; L182-F189 HydrophobicContact CD2-CG 3.62Å; L182-F189 HydrophobicContact CD2-CZ 3.86Å; L182-C211 HydrophobicContact CD1-CB 4.47Å; L182-C211 HydrophobicContact CD2-CB 3.85Å; L182-C211 HydrophobicContact CG-CB 4.18Å; L182-Y212 PolarHBondContact N-O 3.42Å; L182-P213 HydrophobicContact CD1-CB 4.44Å; L182-P213 HydrophobicContact CD1-CG 4.44Å; L182-L215 PolarHBondContact N-O 3.22Å
183E97.9Very high97.5Very high92 Ų9239.3 Ų39.343%0.4320%0.201SC..THydrogen-bonded Turntrans-106.623.5176-68.9-179-17200111.7G181 Y185 P213 L215 S216G181-E183 PolarHBondContact O-N 3.08Å; E183-Y185 HydrophobicContact CB-CE2 4.4Å; E183-Y185 WeakPolarHBondContact O-CD2 3.36Å; E183-Y185 WeakPolarHBondContact O-CE2 3.46Å; E183-Y185 PolarHBondContact O-N 3.23Å; E183-P213 WeakPolarHBondContact CG-O 3.33Å; E183-L215 CarbonylContact C-O 3.51Å; E183-L215 PolarHBondContact N-O 3.48Å; E183-S216 WeakPolarHBondContact O-CA 3.4Å
184D98Very high97.6Very high7 Ų738.9 Ų38.94%0.03720%0.198CC..  trans-74.8105.7174.3-170-18.4000110.9H180 G181 T186 I187 P188 H217H180-D184 IonicContact CD2-OD2 2.73Å; H180-D184 IonicContact NE2-OD2 2.72Å; H180-D184 PolarHBondContact NE2-OD2 2.81Å; G181-D184 WeakPolarHBondContact O-CB 3.34Å; G181-D184 PolarHBondContact O-N 3.16Å; D184-T186 WeakPolarHBondContact OD1-CA 3.48Å; D184-T186 PolarHBondContact OD1-N 3.2Å; D184-I187 WeakPolarHBondContact CB-O 3.37Å; D184-I187 PolarHBondContact OD1-N 3.07Å; D184-P188 WeakPolarHBondContact O-CA 3.09Å; D184-H217 WeakPolarHBondContact OD1-CB 3.44Å; D184-H217 IonicContact OD1-CG 2.92Å; D184-H217 IonicContact OD1-ND1 2.86Å; D184-H217 PolarHBondContact OD1-ND1 2.9Å; D184-H217 IonicContact OD2-CE1 3.53Å; D184-H217 IonicContact OD2-CG 2.61Å; D184-H217 IonicContact OD2-ND1 2.6Å; D184-H217 PolarHBondContact OD2-ND1 2.99Å
185Y95.7Very high97.6Very high200 Ų20039 Ų3978%0.78420%0.199SC*.SBendtrans-89.1-9.9176.1-62-77.5000113.7E183E183-Y185 HydrophobicContact CB-CE2 4.4Å; E183-Y185 WeakPolarHBondContact O-CD2 3.36Å; E183-Y185 WeakPolarHBondContact O-CE2 3.46Å; E183-Y185 PolarHBondContact O-N 3.23Å
186T96Very high97.6Very high68 Ų6839.6 Ų39.642%0.41720%0.201SC..SBendtrans-87.7-52179.3-57.50000110.2L87 D184 P188L87-T186 HydrophobicContact CD1-CG2 4.1Å; D184-T186 WeakPolarHBondContact OD1-CA 3.48Å; D184-T186 PolarHBondContact OD1-N 3.2Å; T186-P188 WeakPolarHBondContact O-CD 3.41Å
187I96.7Very high97.6Very high1 Ų143.4 Ų43.41%0.00522%0.219CC..SBendtrans-115.991.7171.2-53.6-59.1000106.7L87 W154 H180 D184 F189 M191 H217L87-I187 HydrophobicContact CD1-CD1 3.97Å; L87-I187 HydrophobicContact CD2-CD1 3.69Å; L87-I187 HydrophobicContact CG-CD1 4.31Å; W154-I187 HydrophobicContact CE3-CD1 3.78Å; W154-I187 HydrophobicContact CE3-CG1 4.31Å; W154-I187 HydrophobicContact CE3-CG2 4.15Å; W154-I187 HydrophobicContact CH2-CD1 4.32Å; W154-I187 HydrophobicContact CZ3-CD1 3.45Å; W154-I187 VanDerWaalsContact CZ3-CD1 3.45Å; W154-I187 HydrophobicContact CZ3-CG1 4.13Å; H180-I187 PolarHBondContact NE2-O 3.04Å; D184-I187 WeakPolarHBondContact CB-O 3.37Å; D184-I187 PolarHBondContact OD1-N 3.07Å; I187-F189 PolarHBondContact O-N 3.43Å; I187-M191 HydrophobicContact CG2-CB 4.32Å; I187-M191 HydrophobicContact CG2-SD 4.46Å; I187-H217 WeakPolarHBondContact CG1-CE1 3.31Å
188P96.3Very high97.5Very high55 Ų5544 Ų4436%0.35722%0.222SC..  trans-50.6137.1-177.5-2935.6000112.3D184 T186 A190 M191D184-P188 WeakPolarHBondContact O-CA 3.09Å; T186-P188 WeakPolarHBondContact O-CD 3.41Å; P188-A190 PolarHBondContact O-N 3.22Å; P188-M191 WeakPolarHBondContact O-CB 3.44Å; P188-M191 PolarHBondContact O-N 2.99Å
189F97.4Very high97.4Very high55 Ų5544.1 Ų44.124%0.24122%0.222CC..Hα-helixtrans-48.9-32.1177.7171.3-116.5000113.2H180 L182 I187 M191 G192 K193 L209 C211H180-F189 HydrophobicContact CB-CD2 3.91Å; H180-F189 HydrophobicContact CB-CE2 4.34Å; L182-F189 HydrophobicContact CD2-CB 4.37Å; L182-F189 HydrophobicContact CD2-CD1 3.69Å; L182-F189 HydrophobicContact CD2-CD2 3.68Å; L182-F189 HydrophobicContact CD2-CE1 3.81Å; L182-F189 HydrophobicContact CD2-CE2 3.8Å; L182-F189 HydrophobicContact CD2-CG 3.62Å; L182-F189 HydrophobicContact CD2-CZ 3.86Å; I187-F189 PolarHBondContact O-N 3.43Å; F189-M191 PolarHBondContact O-N 3.4Å; F189-G192 PolarHBondContact O-N 2.85Å; F189-G192 VanDerWaalsContact O-N 3.11Å; F189-K193 HydrophobicContact CE1-CB 4.28Å; F189-K193 HydrophobicContact CE1-CD 4.14Å; F189-K193 HydrophobicContact CE2-CB 4.37Å; F189-K193 HydrophobicContact CZ-CB 4.1Å; F189-K193 HydrophobicContact CZ-CD 4.38Å; F189-K193 HydrophobicContact CZ-CG 4.5Å; F189-K193 WeakPolarHBondContact O-CB 3.12Å; F189-K193 PolarHBondContact O-N 3.21Å; F189-L209 HydrophobicContact CE2-CD2 4.08Å; F189-L209 HydrophobicContact CZ-CD2 4.27Å; F189-C211 WeakPolarHBondContact CE2-SG 3.49Å
190A96.9Very high97.3Very high68 Ų6849.3 Ų49.356%0.56225%0.245SC*.Hα-helixtrans-54-36.6174.600000113.3P188 L194P188-A190 PolarHBondContact O-N 3.22Å; A190-L194 WeakPolarHBondContact O-CB 3.38Å; A190-L194 PolarHBondContact O-N 2.94Å
191M97.2Very high97.1Very high20 Ų2053.5 Ų53.510%0.09927%0.271CS..Hα-helixtrans-70.7-40.8176.7-64.6-175.967.700112.2W154 I187 P188 F189 L194 T195W154-M191 HydrophobicContact CB-CB 4.44Å; W154-M191 HydrophobicContact CB-CE 4Å; W154-M191 HydrophobicContact CD2-CE 4.35Å; W154-M191 HydrophobicContact CG-CE 3.97Å; I187-M191 HydrophobicContact CG2-CB 4.32Å; I187-M191 HydrophobicContact CG2-SD 4.46Å; P188-M191 WeakPolarHBondContact O-CB 3.44Å; P188-M191 PolarHBondContact O-N 2.99Å; F189-M191 PolarHBondContact O-N 3.4Å; M191-L194 PolarHBondContact O-N 3.21Å; M191-T195 WeakPolarHBondContact O-CB 3.27Å; M191-T195 PolarHBondContact O-N 2.95Å; M191-T195 PolarHBondContact O-OG1 2.82Å
192G97.6Very high97Very high0 Ų054.1 Ų54.10%027%0.273CS..Hα-helixtrans-63.8-44.4173.200000111.7Q178 H180 F189 T195 H196Q178-G192 PolarHBondContact NE2-O 3.39Å; H180-G192 WeakPolarHBondContact ND1-CA 3.33Å; F189-G192 PolarHBondContact O-N 2.85Å; F189-G192 VanDerWaalsContact O-N 3.11Å; G192-T195 VanDerWaalsContact O-CB 3.31Å; G192-T195 WeakPolarHBondContact O-CB 3.48Å; G192-T195 PolarHBondContact O-N 2.73Å; G192-H196 PolarHBondContact O-N 3.32Å
193K97.9Very high96.9Very high107 Ų10757.3 Ų57.347%0.46529%0.286SS..Hα-helixtrans-61.2-45.9175.5-173.8178.5179.2-179.30112.2F189 T195 H196 E197F189-K193 HydrophobicContact CE1-CB 4.28Å; F189-K193 HydrophobicContact CE1-CD 4.14Å; F189-K193 HydrophobicContact CE2-CB 4.37Å; F189-K193 HydrophobicContact CZ-CB 4.1Å; F189-K193 HydrophobicContact CZ-CD 4.38Å; F189-K193 HydrophobicContact CZ-CG 4.5Å; F189-K193 WeakPolarHBondContact O-CB 3.12Å; F189-K193 PolarHBondContact O-N 3.21Å; K193-T195 VanDerWaalsContact C-N 3.29Å; K193-T195 PolarHBondContact O-N 3.38Å; K193-H196 WeakPolarHBondContact O-CB 3.48Å; K193-H196 PolarHBondContact O-N 2.81Å; K193-H196 VanDerWaalsContact O-N 3.16Å; K193-E197 PolarHBondContact O-N 2.83Å
194L97.1Very high96.7Very high52 Ų5253.1 Ų53.127%0.27227%0.267SS..Hα-helixtrans-58-44.6174.8173.961.7000111.2E89 A190 M191 H196 E197 L198E89-L194 VanDerWaalsContact CD-CD2 3.41Å; E89-L194 HydrophobicContact CG-CD2 3.68Å; E89-L194 WeakPolarHBondContact OE1-CD2 3.5Å; A190-L194 WeakPolarHBondContact O-CB 3.38Å; A190-L194 PolarHBondContact O-N 2.94Å; M191-L194 PolarHBondContact O-N 3.21Å; L194-H196 VanDerWaalsContact C-N 3.32Å; L194-H196 PolarHBondContact O-N 3.25Å; L194-E197 PolarHBondContact O-N 3.48Å; L194-L198 HydrophobicContact CD1-CD1 4.19Å; L194-L198 HydrophobicContact CD1-CG 4.24Å; L194-L198 HydrophobicContact CG-CD1 4.03Å; L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.8Å
195T97.7Very high96.3Very high4 Ų457.3 Ų57.33%0.02530%0.297CS..Hα-helixtrans-55.4-48.6174.9-63.10000110.8L135 W154 L155 M191 G192 K193 E197 L198 L199L135-T195 HydrophobicContact CD1-CG2 3.84Å; W154-T195 WeakPolarHBondContact CA-OG1 3.44Å; L155-T195 HydrophobicContact CB-CG2 3.82Å; L155-T195 PolarHBondContact N-OG1 3.17Å; M191-T195 WeakPolarHBondContact O-CB 3.27Å; M191-T195 PolarHBondContact O-N 2.95Å; M191-T195 PolarHBondContact O-OG1 2.82Å; G192-T195 VanDerWaalsContact O-CB 3.31Å; G192-T195 WeakPolarHBondContact O-CB 3.48Å; G192-T195 PolarHBondContact O-N 2.73Å; K193-T195 VanDerWaalsContact C-N 3.29Å; K193-T195 PolarHBondContact O-N 3.38Å; T195-E197 PolarHBondContact O-N 3.36Å; T195-L198 WeakPolarHBondContact O-CB 3.18Å; T195-L198 PolarHBondContact O-N 3.14Å; T195-L199 HydrophobicContact CG2-CD1 4.35Å; T195-L199 HydrophobicContact CG2-CG 4.5Å; T195-L199 WeakPolarHBondContact O-CG 3.26Å; T195-L199 PolarHBondContact O-N 3.4Å
196H98.2Very high96.3Very high23 Ų2352.5 Ų52.511%0.10628%0.28CS..Hα-helixtrans-59.5-45.5178-171.965.3000112.9Q178 G192 K193 L194 L198 L199 K200 L209Q178-H196 VanDerWaalsContact OE1-CB 3.27Å; G192-H196 PolarHBondContact O-N 3.32Å; K193-H196 WeakPolarHBondContact O-CB 3.48Å; K193-H196 PolarHBondContact O-N 2.81Å; K193-H196 VanDerWaalsContact O-N 3.16Å; L194-H196 VanDerWaalsContact C-N 3.32Å; L194-H196 PolarHBondContact O-N 3.25Å; H196-L198 VanDerWaalsContact C-N 3.3Å; H196-L198 PolarHBondContact O-N 3.14Å; H196-L199 PolarHBondContact O-N 3.04Å; H196-K200 PolarHBondContact O-N 3.42Å; H196-L209 HydrophobicContact CB-CB 4.19Å; H196-L209 HydrophobicContact CB-CD2 3.86Å; H196-L209 HydrophobicContact CB-CG 4.47Å
197E97.4Very high96.3Very high81 Ų8150.4 Ų50.438%0.37927%0.268SS..Hα-helixtrans-64.9-34.5178.7-65.4-53.9151.900112.4K193 L194 T195 K200 T201K193-E197 PolarHBondContact O-N 2.83Å; L194-E197 PolarHBondContact O-N 3.48Å; T195-E197 PolarHBondContact O-N 3.36Å; E197-K200 PolarHBondContact O-N 3.19Å; E197-K200 IonicContact OE2-NZ 3.64Å; E197-T201 WeakPolarHBondContact O-CB 3.37Å; E197-T201 PolarHBondContact O-N 3.25Å; E197-T201 PolarHBondContact O-OG1 3.03Å
198L96.7Very high96.3Very high14 Ų1453.6 Ų53.67%0.07328%0.283CS..Hα-helixtrans-65.6-45.1172-69.9165.9000111.7L155 H158 M162 L194 T195 H196 K200 T201 F202L155-L198 HydrophobicContact CD2-CB 4.47Å; L155-L198 HydrophobicContact CD2-CD1 4.36Å; H158-L198 HydrophobicContact CB-CD1 3.58Å; M162-L198 HydrophobicContact CE-CD2 4.5Å; M162-L198 HydrophobicContact CG-CD2 3.98Å; M162-L198 HydrophobicContact SD-CD2 3.6Å; L194-L198 HydrophobicContact CD1-CD1 4.19Å; L194-L198 HydrophobicContact CD1-CG 4.24Å; L194-L198 HydrophobicContact CG-CD1 4.03Å; L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.8Å; T195-L198 WeakPolarHBondContact O-CB 3.18Å; T195-L198 PolarHBondContact O-N 3.14Å; H196-L198 VanDerWaalsContact C-N 3.3Å; H196-L198 PolarHBondContact O-N 3.14Å; L198-K200 VanDerWaalsContact C-N 3.25Å; L198-K200 PolarHBondContact O-N 2.61Å; L198-T201 CarbonylContact O-C 3.57Å; L198-T201 WeakPolarHBondContact O-CA 3.33Å; L198-T201 WeakPolarHBondContact O-CB 3.2Å; L198-T201 PolarHBondContact O-N 2.79Å; L198-F202 HydrophobicContact CB-CE2 4Å; L198-F202 HydrophobicContact CB-CZ 4.06Å; L198-F202 HydrophobicContact CD2-CZ 4.25Å; L198-F202 WeakPolarHBondContact O-CD1 3.5Å; L198-F202 VanDerWaalsContact O-CD2 3.22Å; L198-F202 WeakPolarHBondContact O-CD2 3.24Å; L198-F202 WeakPolarHBondContact O-CG 3.43Å; L198-F202 PolarHBondContact O-N 2.96Å
199L97.1Very high96.4Very high1 Ų152.8 Ų52.81%0.00528%0.275CS..Hα-helixtrans-57.7-40.4175.8-64177.1000111.5L135 L139 V176 T195 H196 F202 Q203 L204 C207L135-L199 HydrophobicContact CD2-CD1 4.33Å; L139-L199 HydrophobicContact CD1-CD2 4.04Å; L139-L199 HydrophobicContact CD2-CD2 4.09Å; V176-L199 HydrophobicContact CG1-CD1 4.01Å; T195-L199 HydrophobicContact CG2-CD1 4.35Å; T195-L199 HydrophobicContact CG2-CG 4.5Å; T195-L199 WeakPolarHBondContact O-CG 3.26Å; T195-L199 PolarHBondContact O-N 3.4Å; H196-L199 PolarHBondContact O-N 3.04Å; L199-F202 CarbonylContact O-C 3.47Å; L199-F202 PolarHBondContact O-N 2.76Å; L199-Q203 PolarHBondContact O-N 3.25Å; L199-L204 HydrophobicContact CB-CD1 4.03Å; L199-L204 HydrophobicContact CD2-CD1 3.62Å; L199-L204 HydrophobicContact CG-CD1 4.35Å; L199-L204 WeakPolarHBondContact O-CB 3.32Å; L199-L204 PolarHBondContact O-N 3.5Å; L199-C207 HydrophobicContact CB-CB 4.41Å
200K96Very high96.4Very high109 Ų10952.2 Ų52.247%0.47427%0.274SS..Hα-helixtrans-65.2-42.7172.9-71.8178.966.5-166.90112.7H196 E197 L198 F202 Q203H196-K200 PolarHBondContact O-N 3.42Å; E197-K200 PolarHBondContact O-N 3.19Å; E197-K200 IonicContact OE2-NZ 3.64Å; L198-K200 VanDerWaalsContact C-N 3.25Å; L198-K200 PolarHBondContact O-N 2.61Å; K200-F202 PolarHBondContact O-N 3.14Å; K200-Q203 WeakPolarHBondContact O-CA 3.39Å; K200-Q203 PolarHBondContact O-N 3.02Å
201T95.4Very high96.5Very high88 Ų8851.3 Ų51.354%0.5426%0.263SS..Hα-helixtrans-59.7-33.5174.8-58.90000111.3E197 L198 Q203E197-T201 WeakPolarHBondContact O-CB 3.37Å; E197-T201 PolarHBondContact O-N 3.25Å; E197-T201 PolarHBondContact O-OG1 3.03Å; L198-T201 CarbonylContact O-C 3.57Å; L198-T201 WeakPolarHBondContact O-CA 3.33Å; L198-T201 WeakPolarHBondContact O-CB 3.2Å; L198-T201 PolarHBondContact O-N 2.79Å; T201-Q203 PolarHBondContact O-N 3.25Å
202F95.8Very high96.5Very high14 Ų1450.7 Ų50.76%0.06126%0.26CS..THydrogen-bonded Turntrans-797.1174.7-53.5-26.8000114.2L139 L155 F161 M162 L168 K172 L198 L199 K200 L204L139-F202 HydrophobicContact CD2-CD2 4.44Å; L155-F202 HydrophobicContact CD2-CE2 3.75Å; L155-F202 HydrophobicContact CD2-CZ 4.43Å; F161-F202 HydrophobicContact CB-CE1 4.37Å; F161-F202 HydrophobicContact CB-CE2 4.12Å; F161-F202 HydrophobicContact CB-CZ 3.66Å; M162-F202 HydrophobicContact SD-CE1 3.71Å; M162-F202 HydrophobicContact SD-CZ 4.18Å; L168-F202 HydrophobicContact CD1-CB 4.05Å; L168-F202 HydrophobicContact CD1-CD1 3.45Å; L168-F202 VanDerWaalsContact CD1-CD1 3.45Å; L168-F202 HydrophobicContact CD1-CD2 4.19Å; L168-F202 HydrophobicContact CD1-CE1 3.91Å; L168-F202 HydrophobicContact CD1-CG 3.63Å; L168-F202 HydrophobicContact CD1-CZ 4.45Å; L168-F202 HydrophobicContact CD2-CB 4.5Å; L168-F202 HydrophobicContact CD2-CD1 4.46Å; L168-F202 HydrophobicContact CD2-CD2 3.71Å; L168-F202 HydrophobicContact CD2-CE2 3.99Å; L168-F202 HydrophobicContact CD2-CG 3.98Å; L168-F202 HydrophobicContact CD2-CZ 4.48Å; L168-F202 HydrophobicContact CG-CG 4.49Å; K172-F202 WeakPolarHBondContact CE-O 3.18Å; K172-F202 PolarHBondContact NZ-O 2.94Å; L198-F202 HydrophobicContact CB-CE2 4Å; L198-F202 HydrophobicContact CB-CZ 4.06Å; L198-F202 HydrophobicContact CD2-CZ 4.25Å; L198-F202 WeakPolarHBondContact O-CD1 3.5Å; L198-F202 VanDerWaalsContact O-CD2 3.22Å; L198-F202 WeakPolarHBondContact O-CD2 3.24Å; L198-F202 WeakPolarHBondContact O-CG 3.43Å; L198-F202 PolarHBondContact O-N 2.96Å; L199-F202 CarbonylContact O-C 3.47Å; L199-F202 PolarHBondContact O-N 2.76Å; K200-F202 PolarHBondContact O-N 3.14Å; F202-L204 VanDerWaalsContact C-N 3.31Å; F202-L204 HydrophobicContact CB-CG 4.5Å; F202-L204 PolarHBondContact O-N 3.02Å
203Q95.2Very high96.5Very high144 Ų14455 Ų5567%0.67329%0.288SS*.THydrogen-bonded Turntrans64.529.5176.4-54.7168.25.400113.8L199 K200 T201 S205L199-Q203 PolarHBondContact O-N 3.25Å; K200-Q203 WeakPolarHBondContact O-CA 3.39Å; K200-Q203 PolarHBondContact O-N 3.02Å; T201-Q203 PolarHBondContact O-N 3.25Å; Q203-S205 PolarHBondContact O-N 2.99Å
204L94.7Very high96.4Very high5 Ų558 Ų583%0.02630%0.303CS..  trans-76.892.2172.2-62.4176.5000109.8L139 M170 K172 L199 F202 K206 C207L139-L204 HydrophobicContact CD2-CD1 3.79Å; M170-L204 HydrophobicContact CE-CD1 3.33Å; M170-L204 HydrophobicContact CE-CD2 3.29Å; M170-L204 HydrophobicContact CE-CG 3.92Å; K172-L204 HydrophobicContact CD-CD2 3.96Å; L199-L204 HydrophobicContact CB-CD1 4.03Å; L199-L204 HydrophobicContact CD2-CD1 3.62Å; L199-L204 HydrophobicContact CG-CD1 4.35Å; L199-L204 WeakPolarHBondContact O-CB 3.32Å; L199-L204 PolarHBondContact O-N 3.5Å; F202-L204 VanDerWaalsContact C-N 3.31Å; F202-L204 HydrophobicContact CB-CG 4.5Å; F202-L204 PolarHBondContact O-N 3.02Å; L204-K206 PolarHBondContact O-N 2.73Å; L204-K206 VanDerWaalsContact O-N 3.17Å; L204-C207 HydrophobicContact CB-CB 4.5Å; L204-C207 PolarHBondContact O-N 3.23Å; L204-C207 PolarHBondContact O-SG 2.82Å
205S88.6Confident96.4Very high95 Ų9556 Ų5666%0.66429%0.293SS*.THydrogen-bonded Turntrans-64.5-20.2-169.860.10000115K172 Q203K172-S205 PolarHBondContact O-N 3.23Å; K172-S205 PolarHBondContact O-OG 2.72Å; Q203-S205 PolarHBondContact O-N 2.99Å
206K95.8Very high96.4Very high99 Ų9958.6 Ų58.643%0.4331%0.311SS..THydrogen-bonded Turntrans-11434.3-177.3-58.8-171-161.8153.90112.8D173 P175 V176 L204D173-K206 VanDerWaalsContact O-CD 3.3Å; D173-K206 WeakPolarHBondContact O-CD 3.25Å; D173-K206 WeakPolarHBondContact O-CE 3.35Å; D173-K206 PolarHBondContact O-NZ 3.11Å; P175-K206 WeakPolarHBondContact CA-O 3.34Å; P175-K206 HydrophobicContact CB-CB 4.13Å; P175-K206 HydrophobicContact CB-CD 4.39Å; V176-K206 PolarHBondContact N-O 3.42Å; L204-K206 PolarHBondContact O-N 2.73Å; L204-K206 VanDerWaalsContact O-N 3.17Å
207C96Very high96.4Very high24 Ų2459.7 Ų59.716%0.16232%0.316CS..EExtended strand (participates in β ladder)trans-91.4134.7171.565.30000111.3V176 L199 L204V176-C207 HydrophobicContact CB-CB 4Å; V176-C207 WeakPolarHBondContact O-CA 3.5Å; L199-C207 HydrophobicContact CB-CB 4.41Å; L204-C207 HydrophobicContact CB-CB 4.5Å; L204-C207 PolarHBondContact O-N 3.23Å; L204-C207 PolarHBondContact O-SG 2.82Å
208E97.1Very high96.4Very high68 Ų6858.2 Ų58.232%0.31832%0.315SS..EExtended strand (participates in β ladder)trans-124.5147.2173.460.1-167.6-179.100110.6V176 F177 Q178 F230V176-E208 PolarHBondContact O-N 3.23Å; F177-E208 HydrophobicContact CD2-CG 4.08Å; F177-E208 WeakPolarHBondContact CD2-OE1 3.48Å; Q178-E208 WeakPolarHBondContact CA-O 3.35Å; Q178-E208 WeakPolarHBondContact CB-O 3.27Å; Q178-E208 PolarHBondContact N-O 2.92Å; E208-F230 WeakPolarHBondContact OE1-CD2 3.45Å
209L98.2Very high96.4Very high38 Ų3859.5 Ų59.520%0.19933%0.325CS..EExtended strand (participates in β ladder)trans-121.4104.1174174.763.8000109.2Q178 H180 F189 H196Q178-L209 HydrophobicContact CB-CD1 4.16Å; Q178-L209 HydrophobicContact CG-CD1 3.83Å; Q178-L209 CarbonylContact O-C 3.6Å; Q178-L209 WeakPolarHBondContact O-CA 3.49Å; H180-L209 HydrophobicContact CB-CD1 4.47Å; F189-L209 HydrophobicContact CE2-CD2 4.08Å; F189-L209 HydrophobicContact CZ-CD2 4.27Å; H196-L209 HydrophobicContact CB-CB 4.19Å; H196-L209 HydrophobicContact CB-CD2 3.86Å; H196-L209 HydrophobicContact CB-CG 4.47Å
210N98.4Very high96.4Very high42 Ų4261.4 Ų61.423%0.22534%0.338CS..EExtended strand (participates in β ladder)trans-92.3126.3176.3-60.6-77.7000109.6F177 Q178 C179 H180 Y212F177-N210 WeakPolarHBondContact CD2-ND2 3.45Å; F177-N210 WeakPolarHBondContact CE2-ND2 3.3Å; Q178-N210 PolarHBondContact O-N 2.95Å; C179-N210 CarbonylContact C-O 3.55Å; C179-N210 VanDerWaalsContact CA-O 3.27Å; C179-N210 WeakPolarHBondContact CA-O 3.46Å; H180-N210 PolarHBondContact N-O 2.82Å; N210-Y212 HydrophobicContact CB-CE2 3.91Å; N210-Y212 WeakPolarHBondContact CB-OH 3.34Å
211C98.1Very high96.5Very high49 Ų4963.5 Ų63.533%0.33135%0.35SS..EExtended strand (participates in β ladder)trans-114.6138.9-175.8-58.20000110.7H180 L182 F189H180-C211 WeakPolarHBondContact O-CA 3.22Å; L182-C211 HydrophobicContact CD1-CB 4.47Å; L182-C211 HydrophobicContact CD2-CB 3.85Å; L182-C211 HydrophobicContact CG-CB 4.18Å; F189-C211 WeakPolarHBondContact CE2-SG 3.49Å
212Y98.5Very high96.6Very high8 Ų865.3 Ų65.33%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-121.4108.7-175.9-58.6-86.3000110C179 H180 L182 N210 Q214 L215 K222 E223 D226C179-Y212 HydrophobicContact CB-CE2 3.86Å; H180-Y212 PolarHBondContact O-N 3.16Å; L182-Y212 PolarHBondContact N-O 3.42Å; N210-Y212 HydrophobicContact CB-CE2 3.91Å; N210-Y212 WeakPolarHBondContact CB-OH 3.34Å; Y212-Q214 PolarHBondContact O-N 2.99Å; Y212-L215 HydrophobicContact CD2-CD2 4Å; Y212-L215 HydrophobicContact CG-CD2 4.04Å; Y212-L215 PolarHBondContact O-N 2.94Å; Y212-K222 HydrophobicContact CD1-CB 4.42Å; Y212-K222 HydrophobicContact CD1-CD 4.12Å; Y212-K222 HydrophobicContact CD1-CG 4.42Å; Y212-K222 HydrophobicContact CE1-CB 4.19Å; Y212-K222 HydrophobicContact CE1-CD 3.98Å; Y212-K222 HydrophobicContact CE1-CG 3.95Å; Y212-E223 HydrophobicContact CD1-CB 4.31Å; Y212-E223 HydrophobicContact CD2-CB 4.25Å; Y212-E223 HydrophobicContact CD2-CG 4.3Å; Y212-E223 HydrophobicContact CE1-CB 3.82Å; Y212-E223 HydrophobicContact CE2-CB 3.77Å; Y212-E223 HydrophobicContact CE2-CG 3.65Å; Y212-E223 VanDerWaalsContact CZ-CA 3.47Å; Y212-E223 WeakPolarHBondContact OH-CA 3.22Å; Y212-D226 WeakPolarHBondContact CE1-OD2 3.37Å; Y212-D226 WeakPolarHBondContact OH-CB 3.23Å; Y212-D226 PolarHBondContact OH-OD2 3.44Å
213P96.9Very high96.7Very high89 Ų8964.7 Ų64.758%0.57835%0.347SS*.THydrogen-bonded Turntrans-57.5-36.3-165.4-30.836.1000117.5L182 E183L182-P213 HydrophobicContact CD1-CB 4.44Å; L182-P213 HydrophobicContact CD1-CG 4.44Å; E183-P213 WeakPolarHBondContact CG-O 3.33Å
214Q95.3Very high96.9Very high171 Ų17158 Ų5880%0.79932%0.316SS*.THydrogen-bonded Turntrans-108.98.8-176.3-63172.616.300112.2Y212Y212-Q214 PolarHBondContact O-N 2.99Å
215L98.2Very high97.1Very high11 Ų1159 Ų596%0.05833%0.327CS..  trans-83.5129.2-178.8-17862.9000108.6G181 L182 E183 Y212 S218 C220G181-L215 CarbonylContact C-O 3.46Å; G181-L215 VanDerWaalsContact C-O 3.26Å; G181-L215 WeakPolarHBondContact CA-O 3.46Å; L182-L215 PolarHBondContact N-O 3.22Å; E183-L215 CarbonylContact C-O 3.51Å; E183-L215 PolarHBondContact N-O 3.48Å; Y212-L215 HydrophobicContact CD2-CD2 4Å; Y212-L215 HydrophobicContact CG-CD2 4.04Å; Y212-L215 PolarHBondContact O-N 2.94Å; L215-S218 VanDerWaalsContact CD1-OG 3.24Å; L215-S218 WeakPolarHBondContact CD1-OG 3.44Å; L215-C220 HydrophobicContact CD1-CB 4.04Å
216S97.9Very high97.5Very high57 Ų5756.5 Ų56.540%0.39931%0.307SS..  trans-92.1-149.3173.573.50000110.3E183 S218E183-S216 WeakPolarHBondContact O-CA 3.4Å; S216-S218 PolarHBondContact O-N 2.91Å
217H97.9Very high97.7Very high46 Ų4651.8 Ų51.821%0.21329%0.286CS..SBendtrans-79.462.9175.6-158.356.9000112.1F127 S128 D184 I187F127-H217 AromaticContact CE1-CD2 3.96Å; F127-H217 AromaticContact CE1-NE2 3.58Å; F127-H217 AromaticContact CZ-CD2 3.76Å; F127-H217 AromaticContact CZ-CE1 3.68Å; F127-H217 AromaticContact CZ-CG 3.95Å; F127-H217 AromaticContact CZ-ND1 3.91Å; F127-H217 AromaticContact CZ-NE2 3.61Å; S128-H217 WeakPolarHBondContact CB-NE2 3.46Å; S128-H217 PolarHBondContact OG-CE1 3.49Å; S128-H217 PolarHBondContact OG-NE2 3.42Å; D184-H217 WeakPolarHBondContact OD1-CB 3.44Å; D184-H217 IonicContact OD1-CG 2.92Å; D184-H217 IonicContact OD1-ND1 2.86Å; D184-H217 PolarHBondContact OD1-ND1 2.9Å; D184-H217 IonicContact OD2-CE1 3.53Å; D184-H217 IonicContact OD2-CG 2.61Å; D184-H217 IonicContact OD2-ND1 2.6Å; D184-H217 PolarHBondContact OD2-ND1 2.99Å; I187-H217 WeakPolarHBondContact CG1-CE1 3.31Å
218S97.3Very high97.8Very high50 Ų5055 Ų5535%0.3530%0.295SS..SBendtrans-149.5-169.9179.668.70000110.3L215 S216L215-S218 VanDerWaalsContact CD1-OG 3.24Å; L215-S218 WeakPolarHBondContact CD1-OG 3.44Å; S216-S218 PolarHBondContact O-N 2.91Å
219S96.8Very high97.8Very high42 Ų4256.1 Ų56.129%0.29431%0.306SS..  trans-108.7171.616561.60000112.1E223S219-E223 WeakPolarHBondContact CA-OE2 3.48Å; S219-E223 WeakPolarHBondContact CB-OE2 3.33Å
220C97.3Very high97.8Very high41 Ų4154.7 Ų54.728%0.27730%0.299SS..  trans-142.5163.6171.7670000112.6L215 K222 E223 M224L215-C220 HydrophobicContact CD1-CB 4.04Å; C220-K222 VanDerWaalsContact C-N 3.26Å; C220-K222 PolarHBondContact O-N 3.23Å; C220-E223 PolarHBondContact N-OE2 2.96Å; C220-E223 WeakPolarHBondContact O-CB 3.38Å; C220-E223 PolarHBondContact O-N 3.44Å; C220-E223 VanDerWaalsContact O-N 3.1Å; C220-E223 PolarHBondContact SG-N 3.31Å; C220-M224 WeakPolarHBondContact O-CG 3.4Å; C220-M224 PolarHBondContact O-N 2.96Å
221E97.1Very high97.8Very high153 Ų15352.8 Ų52.872%0.71529%0.288SS*.Hα-helixtrans-56-39.7-179.1-61.2-175.2165.800112.8M224 G225E221-M224 PolarHBondContact O-N 3.26Å; E221-G225 PolarHBondContact O-N 3.27Å
222K98Very high97.8Very high126 Ų12652.9 Ų52.955%0.54829%0.29SS..Hα-helixtrans-63-46.4177.8-171.8-173.7171.6-67.20111.2Y212 C220 M224 G225 D226Y212-K222 HydrophobicContact CD1-CB 4.42Å; Y212-K222 HydrophobicContact CD1-CD 4.12Å; Y212-K222 HydrophobicContact CD1-CG 4.42Å; Y212-K222 HydrophobicContact CE1-CB 4.19Å; Y212-K222 HydrophobicContact CE1-CD 3.98Å; Y212-K222 HydrophobicContact CE1-CG 3.95Å; C220-K222 VanDerWaalsContact C-N 3.26Å; C220-K222 PolarHBondContact O-N 3.23Å; K222-M224 VanDerWaalsContact C-N 3.3Å; K222-M224 PolarHBondContact O-N 3Å; K222-G225 PolarHBondContact O-N 3.32Å; K222-D226 IonicContact NZ-OD2 3.99Å; K222-D226 PolarHBondContact NZ-OD2 2.8Å; K222-D226 VanDerWaalsContact O-CG 3.23Å; K222-D226 PolarHBondContact O-N 3.44Å
223E98.3Very high97.7Very high0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-60.6-41.2177.4-176.8-173.7-134.200111.8F151 C179 Y212 S219 C220 D226 L227F151-E223 HydrophobicContact CD1-CG 4.1Å; F151-E223 WeakPolarHBondContact CD1-OE1 3.1Å; F151-E223 WeakPolarHBondContact CD1-OE2 3.45Å; F151-E223 HydrophobicContact CE1-CG 3.57Å; F151-E223 WeakPolarHBondContact CE1-OE2 3.5Å; F151-E223 HydrophobicContact CZ-CG 3.98Å; C179-E223 HydrophobicContact CB-CG 3.9Å; C179-E223 WeakPolarHBondContact CB-OE1 3.36Å; Y212-E223 HydrophobicContact CD1-CB 4.31Å; Y212-E223 HydrophobicContact CD2-CB 4.25Å; Y212-E223 HydrophobicContact CD2-CG 4.3Å; Y212-E223 HydrophobicContact CE1-CB 3.82Å; Y212-E223 HydrophobicContact CE2-CB 3.77Å; Y212-E223 HydrophobicContact CE2-CG 3.65Å; Y212-E223 VanDerWaalsContact CZ-CA 3.47Å; Y212-E223 WeakPolarHBondContact OH-CA 3.22Å; S219-E223 WeakPolarHBondContact CA-OE2 3.48Å; S219-E223 WeakPolarHBondContact CB-OE2 3.33Å; C220-E223 PolarHBondContact N-OE2 2.96Å; C220-E223 WeakPolarHBondContact O-CB 3.38Å; C220-E223 PolarHBondContact O-N 3.44Å; C220-E223 VanDerWaalsContact O-N 3.1Å; C220-E223 PolarHBondContact SG-N 3.31Å; E223-D226 PolarHBondContact O-N 3.28Å; E223-L227 PolarHBondContact O-N 3.4Å
224M98.2Very high97.7Very high4 Ų458.1 Ų58.12%0.0231%0.306CS..Hα-helixtrans-69.8-33.4177.5-61.4-67.3-75.900112.6A49 L50 Y53 F151 C220 E221 K222 L227 R228A49-M224 HydrophobicContact CB-CE 4.31Å; A49-M224 VanDerWaalsContact O-CE 3.32Å; A49-M224 WeakPolarHBondContact O-CE 3.48Å; L50-M224 HydrophobicContact CD2-CE 3.75Å; L50-M224 HydrophobicContact CG-CE 4.22Å; Y53-M224 HydrophobicContact CD1-CB 3.43Å; Y53-M224 VanDerWaalsContact CD1-CB 3.43Å; Y53-M224 HydrophobicContact CD2-CB 3.73Å; Y53-M224 HydrophobicContact CD2-CE 3.78Å; Y53-M224 HydrophobicContact CD2-CG 4.3Å; Y53-M224 HydrophobicContact CE1-CB 3.64Å; Y53-M224 HydrophobicContact CE2-CB 3.95Å; Y53-M224 HydrophobicContact CE2-CE 4.44Å; Y53-M224 HydrophobicContact CE2-CG 4.37Å; Y53-M224 HydrophobicContact CG-CB 3.47Å; Y53-M224 VanDerWaalsContact CG-CB 3.47Å; Y53-M224 HydrophobicContact CG-CE 4.25Å; Y53-M224 HydrophobicContact CG-CG 4.47Å; F151-M224 HydrophobicContact CE1-SD 3.9Å; F151-M224 HydrophobicContact CZ-SD 4.33Å; C220-M224 WeakPolarHBondContact O-CG 3.4Å; C220-M224 PolarHBondContact O-N 2.96Å; E221-M224 PolarHBondContact O-N 3.26Å; K222-M224 VanDerWaalsContact C-N 3.3Å; K222-M224 PolarHBondContact O-N 3Å; M224-L227 WeakPolarHBondContact O-CB 3.46Å; M224-L227 PolarHBondContact O-N 3.21Å; M224-L227 HydrophobicContact SD-CD2 4.49Å; M224-R228 PolarHBondContact O-N 3.24Å
225G98.3Very high97.7Very high25 Ų2550 Ų5026%0.25827%0.268SS..Hα-helixtrans-67.6-39.3170.900000113.1E221 K222 L227 R228 T229E221-G225 PolarHBondContact O-N 3.27Å; K222-G225 PolarHBondContact O-N 3.32Å; G225-L227 VanDerWaalsContact C-N 3.34Å; G225-R228 WeakPolarHBondContact O-CB 3.4Å; G225-R228 PolarHBondContact O-N 3.35Å; G225-T229 PolarHBondContact O-N 2.86Å; G225-T229 VanDerWaalsContact O-N 3.12Å; G225-T229 PolarHBondContact O-OG1 3.05Å; G225-T229 VanDerWaalsContact O-OG1 3.11Å
226D98.4Very high97.3Very high44 Ų4453.9 Ų53.924%0.23529%0.294CS..Hα-helixtrans-64.4-40.5173.8-66.4-26.2000110F177 Y212 K222 E223 R228 T229 F230F177-D226 HydrophobicContact CE2-CB 4.09Å; F177-D226 HydrophobicContact CZ-CB 3.77Å; Y212-D226 WeakPolarHBondContact CE1-OD2 3.37Å; Y212-D226 WeakPolarHBondContact OH-CB 3.23Å; Y212-D226 PolarHBondContact OH-OD2 3.44Å; K222-D226 IonicContact NZ-OD2 3.99Å; K222-D226 PolarHBondContact NZ-OD2 2.8Å; K222-D226 VanDerWaalsContact O-CG 3.23Å; K222-D226 PolarHBondContact O-N 3.44Å; E223-D226 PolarHBondContact O-N 3.28Å; D226-R228 PolarHBondContact O-N 3.16Å; D226-T229 WeakPolarHBondContact O-CB 3.34Å; D226-T229 PolarHBondContact O-N 3.11Å; D226-F230 PolarHBondContact O-N 2.94Å
227L98.5Very high96.5Very high0 Ų052.7 Ų52.70%029%0.29CS..Hα-helixtrans-58.3-47.4171.917364.1000112.2L50 V149 F151 F177 E223 M224 G225 T229 F230 L231L50-L227 HydrophobicContact CD2-CD2 3.66Å; V149-L227 HydrophobicContact CB-CD1 4.48Å; V149-L227 HydrophobicContact CG1-CD1 3.95Å; V149-L227 HydrophobicContact CG2-CD1 3.68Å; F151-L227 HydrophobicContact CE2-CD1 4.34Å; F151-L227 HydrophobicContact CE2-CD2 4.33Å; F151-L227 HydrophobicContact CZ-CB 4.06Å; F151-L227 HydrophobicContact CZ-CD2 3.85Å; F151-L227 HydrophobicContact CZ-CG 4.35Å; F177-L227 HydrophobicContact CD1-CD1 4.03Å; F177-L227 HydrophobicContact CE1-CB 3.77Å; F177-L227 HydrophobicContact CE1-CD1 4.12Å; F177-L227 HydrophobicContact CZ-CB 4.24Å; E223-L227 PolarHBondContact O-N 3.4Å; M224-L227 WeakPolarHBondContact O-CB 3.46Å; M224-L227 PolarHBondContact O-N 3.21Å; M224-L227 HydrophobicContact SD-CD2 4.49Å; G225-L227 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 2.63Å; L227-F230 WeakPolarHBondContact O-CB 3.45Å; L227-F230 PolarHBondContact O-N 3.3Å; L227-F230 VanDerWaalsContact O-N 3.17Å; L227-L231 HydrophobicContact CD1-CD1 4Å; L227-L231 HydrophobicContact CD1-CD2 4.3Å; L227-L231 HydrophobicContact CD1-CG 3.91Å; L227-L231 HydrophobicContact CG-CD1 4Å; L227-L231 HydrophobicContact CG-CG 4.31Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 3.28Å
228R98.1Very high95.4Very high91 Ų9154.5 Ų54.534%0.34331%0.305SS..Hα-helixtrans-54.3-43.4176.1177-174.6-78.3-88.13.5111.2E52 Y53 M224 G225 D226 S232E52-R228 PolarHBondContact O-NH2 3.06Å; Y53-R228 VanDerWaalsContact O-CB 3.24Å; Y53-R228 WeakPolarHBondContact O-CB 3.43Å; Y53-R228 VanDerWaalsContact O-CG 3.27Å; Y53-R228 WeakPolarHBondContact O-CG 3.44Å; Y53-R228 PolarHBondContact O-NE 3.22Å; Y53-R228 PolarHBondContact O-NH2 3.33Å; M224-R228 PolarHBondContact O-N 3.24Å; G225-R228 WeakPolarHBondContact O-CB 3.4Å; G225-R228 PolarHBondContact O-N 3.35Å; D226-R228 PolarHBondContact O-N 3.16Å; R228-S232 WeakPolarHBondContact O-CB 3.05Å; R228-S232 PolarHBondContact O-N 3.33Å; R228-S232 PolarHBondContact O-OG 2.87Å
229T98.1Very high93.2Very high92 Ų9264.5 Ų64.556%0.56435%0.346SS*.Hα-helixtrans-64.7-45.9179.2-58.40000111G225 D226 L227 L231 S232 K233G225-T229 PolarHBondContact O-N 2.86Å; G225-T229 VanDerWaalsContact O-N 3.12Å; G225-T229 PolarHBondContact O-OG1 3.05Å; G225-T229 VanDerWaalsContact O-OG1 3.11Å; D226-T229 WeakPolarHBondContact O-CB 3.34Å; D226-T229 PolarHBondContact O-N 3.11Å; L227-T229 PolarHBondContact O-N 2.63Å; T229-L231 PolarHBondContact O-N 2.8Å; T229-S232 PolarHBondContact O-N 3.33Å; T229-K233 VanDerWaalsContact O-CB 3.25Å; T229-K233 WeakPolarHBondContact O-CB 3.47Å; T229-K233 PolarHBondContact O-N 3.35Å
230F98.4Very high93.1Very high8 Ų865.7 Ų65.74%0.03535%0.349CS..Hα-helixtrans-57.5-49.3175.6172.8-97000112.4V149 P175 F177 E208 D226 L227 K233 N234V149-F230 HydrophobicContact CG2-CD1 4.11Å; V149-F230 HydrophobicContact CG2-CE1 3.85Å; P175-F230 HydrophobicContact CB-CE2 3.79Å; P175-F230 HydrophobicContact CB-CZ 3.94Å; P175-F230 HydrophobicContact CG-CE2 4.38Å; P175-F230 HydrophobicContact CG-CZ 4.1Å; F177-F230 HydrophobicContact CB-CB 4.41Å; F177-F230 HydrophobicContact CB-CD1 3.78Å; F177-F230 HydrophobicContact CB-CD2 3.61Å; F177-F230 HydrophobicContact CB-CE1 3.84Å; F177-F230 HydrophobicContact CB-CE2 3.64Å; F177-F230 HydrophobicContact CB-CG 3.66Å; F177-F230 HydrophobicContact CB-CZ 3.77Å; F177-F230 HydrophobicContact CD2-CB 3.95Å; F177-F230 HydrophobicContact CD2-CD2 4.12Å; F177-F230 HydrophobicContact CD2-CG 4.07Å; F177-F230 HydrophobicContact CE2-CB 4.31Å; F177-F230 HydrophobicContact CG-CB 4.15Å; F177-F230 HydrophobicContact CG-CD1 4.26Å; F177-F230 HydrophobicContact CG-CD2 4.16Å; F177-F230 AromaticContact CG-CG 3.94Å; F177-F230 HydrophobicContact CG-CG 3.94Å; E208-F230 WeakPolarHBondContact OE1-CD2 3.45Å; D226-F230 PolarHBondContact O-N 2.94Å; L227-F230 WeakPolarHBondContact O-CB 3.45Å; L227-F230 PolarHBondContact O-N 3.3Å; L227-F230 VanDerWaalsContact O-N 3.17Å; F230-K233 PolarHBondContact O-N 3.03Å; F230-N234 VanDerWaalsContact CD2-ND2 3.31Å; F230-N234 WeakPolarHBondContact CD2-ND2 3.37Å; F230-N234 VanDerWaalsContact CE2-ND2 3.34Å; F230-N234 WeakPolarHBondContact CE2-ND2 3.39Å; F230-N234 PolarHBondContact O-N 2.9Å; F230-N234 VanDerWaalsContact O-N 3.15Å; F230-N234 PolarHBondContact O-ND2 2.89Å
231L98.3Very high92.8Very high1 Ų166.9 Ų66.91%0.00535%0.352CS..Hα-helixtrans-63-47-179.2-66.2175.9000111.5V54 P55 F58 V123 L227 T229 K233 N234 I235V54-L231 HydrophobicContact CB-CD1 4.42Å; V54-L231 HydrophobicContact CG1-CD1 4.25Å; V54-L231 HydrophobicContact CG2-CD1 3.98Å; P55-L231 HydrophobicContact CG-CB 4.1Å; F58-L231 HydrophobicContact CE1-CD2 4.08Å; F58-L231 HydrophobicContact CE2-CB 4.39Å; F58-L231 HydrophobicContact CZ-CB 4.13Å; F58-L231 HydrophobicContact CZ-CD2 4.13Å; V123-L231 HydrophobicContact CB-CD2 4.26Å; V123-L231 HydrophobicContact CG1-CD2 4.06Å; V123-L231 HydrophobicContact CG2-CD2 3.8Å; L227-L231 HydrophobicContact CD1-CD1 4Å; L227-L231 HydrophobicContact CD1-CD2 4.3Å; L227-L231 HydrophobicContact CD1-CG 3.91Å; L227-L231 HydrophobicContact CG-CD1 4Å; L227-L231 HydrophobicContact CG-CG 4.31Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 3.28Å; T229-L231 PolarHBondContact O-N 2.8Å; L231-K233 VanDerWaalsContact C-N 3.31Å; L231-K233 PolarHBondContact O-N 3.19Å; L231-N234 PolarHBondContact O-N 2.81Å; L231-I235 PolarHBondContact O-N 3.5Å
232S97.1Very high92.6Very high52 Ų5262.2 Ų62.236%0.36433%0.332SS..Hα-helixtrans-65.7-34.8-178.1-53.10000112.5R228 T229R228-S232 WeakPolarHBondContact O-CB 3.05Å; R228-S232 PolarHBondContact O-N 3.33Å; R228-S232 PolarHBondContact O-OG 2.87Å; T229-S232 PolarHBondContact O-N 3.33Å
233K96.9Very high92.3Very high157 Ų15758.4 Ų58.468%0.68332%0.319SS*.Hα-helixtrans-69.9-45.1178.8175.2-176170.9-1720112.4T229 F230 L231T229-K233 VanDerWaalsContact O-CB 3.25Å; T229-K233 WeakPolarHBondContact O-CB 3.47Å; T229-K233 PolarHBondContact O-N 3.35Å; F230-K233 PolarHBondContact O-N 3.03Å; L231-K233 VanDerWaalsContact C-N 3.31Å; L231-K233 PolarHBondContact O-N 3.19Å
234N97Very high91.9Very high49 Ų4962.1 Ų62.126%0.26234%0.339SS..Hα-helixtrans-88.8-25.6-171.6-68-73000113P175 F230 L231P175-N234 HydrophobicContact CG-CB 4.03Å; P175-N234 WeakPolarHBondContact CG-OD1 3.45Å; F230-N234 VanDerWaalsContact CD2-ND2 3.31Å; F230-N234 WeakPolarHBondContact CD2-ND2 3.37Å; F230-N234 VanDerWaalsContact CE2-ND2 3.34Å; F230-N234 WeakPolarHBondContact CE2-ND2 3.39Å; F230-N234 PolarHBondContact O-N 2.9Å; F230-N234 VanDerWaalsContact O-N 3.15Å; F230-N234 PolarHBondContact O-ND2 2.89Å; L231-N234 PolarHBondContact O-N 2.81Å
235I96.3Very high91.5Very high2 Ų265.9 Ų65.91%0.0136%0.361CS..SBendtrans-132.778.7-178.4-52.8174.1000108.1A31 Y57 F58 N121 V123 L231A31-I235 HydrophobicContact CB-CG2 3.8Å; Y57-I235 VanDerWaalsContact CE2-O 3.23Å; Y57-I235 WeakPolarHBondContact CE2-O 3.47Å; Y57-I235 VanDerWaalsContact CZ-O 3.31Å; Y57-I235 PolarHBondContact OH-O 3.41Å; F58-I235 HydrophobicContact CE1-CD1 4.26Å; F58-I235 HydrophobicContact CE2-CB 4.36Å; F58-I235 HydrophobicContact CE2-CG2 4.37Å; F58-I235 HydrophobicContact CZ-CB 3.92Å; F58-I235 HydrophobicContact CZ-CD1 3.87Å; F58-I235 HydrophobicContact CZ-CG1 4.46Å; F58-I235 HydrophobicContact CZ-CG2 4.09Å; N121-I235 HydrophobicContact CB-CG2 4.06Å; V123-I235 HydrophobicContact CG2-CD1 3.17Å; V123-I235 HydrophobicContact CG2-CG1 4.5Å; L231-I235 PolarHBondContact O-N 3.5Å
236P89.3Confident91Very high92 Ų9268.9 Ų68.960%0.59737%0.368SS*.PPolyproline II helixtrans-65.7138.3177.827.5-33.3000110.1T238P236-T238 PolarHBondContact O-N 2.77Å
237G80.5Confident90.4Very high31 Ų3170.8 Ų70.832%0.3238%0.378SS..PPolyproline II helixtrans-59.9138.3175.600000111.1Y57 Q239Y57-G237 PolarHBondContact OH-N 2.99Å; G237-Q239 PolarHBondContact O-N 3.04Å
238T74.8Confident89.8Confident84 Ų8476.7 Ų76.752%0.51541%0.41SS..PPolyproline II helixtrans-71.5118.1168.352.50000108P236P236-T238 PolarHBondContact O-N 2.77Å
239Q52.2Low89Confident261 Ų26175.4 Ų75.4100%1.2242%0.416SS*.  trans-58.30171.5-65.7-168.324.500111.5G237G237-Q239 PolarHBondContact O-N 3.04Å

Retrieved 239 of 239 residues in 158.7 ms (Link to these results)

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