A0A096MSN2_PAPAN Loading...

BRO1 domain-containing protein BROX

Nuclear envelope-associated factor that is involved in the nuclear envelope ruptures during interphase (NERDI) repair, where it is locally recruited by CHMP5 and reduces cytoskeletal stress through its action on SYN2 to help reseal the ruptured membrane.

AlphaFold DB (A0A2K6ATC3), UniProt , Accession A0A096MSN2, Species PAPAN (Papio anubis, Olive baboon), Gene BROX, Length 421 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
1M66.7Low90.8Very high81 Ų8121.8 Ų21.840%0.39911%0.111SC..  0136.10-168.2-178-65.400106.6H3 A197 I200M1-H3 PolarHBondContact O-CD2 2.98Å; M1-H3 PolarHBondContact O-NE2 3.41Å; M1-A197 HydrophobicContact CB-CB 3.96Å; M1-A197 HydrophobicContact CE-CB 4.46Å; M1-A197 HydrophobicContact SD-CB 4.48Å; M1-I200 HydrophobicContact CE-CD1 4.31Å
2T80.9Confident91.1Very high27 Ų2720.3 Ų20.317%0.16610%0.104CC..  trans-78144.2176.254.10000110.1K132 F308T2-K132 WeakPolarHBondContact CG2-O 3.22Å; T2-F308 VanDerWaalsContact O-CB 3.31Å; T2-F308 WeakPolarHBondContact O-CB 3.43Å
3H89.3Confident91.5Very high14 Ų1420.5 Ų20.57%0.06511%0.107CC..  trans-121.2152.4178.3-60.1-99.6000110.2M1 F5 A130 E193M1-H3 PolarHBondContact O-CD2 2.98Å; M1-H3 PolarHBondContact O-NE2 3.41Å; H3-F5 HydrophobicContact CB-CE1 3.82Å; H3-F5 HydrophobicContact CB-CE2 4.08Å; H3-F5 HydrophobicContact CB-CZ 3.54Å; H3-A130 HydrophobicContact CB-CB 4.15Å; H3-A130 PolarHBondContact N-O 3.33Å; H3-A130 CarbonylContact O-C 3.58Å; H3-E193 PolarHBondContact CE1-O 3.5Å; H3-E193 IonicContact CG-OE2 3.67Å; H3-E193 IonicContact ND1-OE2 3.75Å; H3-E193 PolarHBondContact ND1-OE2 3.49Å; H3-E193 VanDerWaalsContact ND1-OE2 3.12Å
4W93.1Very high91.6Very high26 Ų2620 Ų2010%0.09811%0.107CC..  trans-119.3127.1172170.265.7000109.5Y241 L244 K245 Y291 V301 P303 H306 F308W4-Y241 HydrophobicContact CE3-CD2 4.37Å; W4-Y241 HydrophobicContact CE3-CE2 4.24Å; W4-Y241 AromaticContact CH2-CD2 3.72Å; W4-Y241 HydrophobicContact CH2-CD2 3.72Å; W4-Y241 HydrophobicContact CH2-CE2 4.34Å; W4-Y241 HydrophobicContact CZ2-CD2 4.43Å; W4-Y241 AromaticContact CZ3-CD2 3.67Å; W4-Y241 HydrophobicContact CZ3-CD2 3.67Å; W4-Y241 AromaticContact CZ3-CE2 4Å; W4-Y241 HydrophobicContact CZ3-CE2 4Å; W4-L244 HydrophobicContact CZ3-CD1 4.11Å; W4-K245 VanDerWaalsContact O-CE 3.23Å; W4-K245 WeakPolarHBondContact O-CE 3.32Å; W4-K245 PolarHBondContact O-NZ 2.92Å; W4-Y291 HydrophobicContact CH2-CD1 4.02Å; W4-Y291 AromaticContact CH2-CE1 3.74Å; W4-Y291 HydrophobicContact CH2-CE1 3.74Å; W4-Y291 HydrophobicContact CH2-CE2 4.34Å; W4-Y291 HydrophobicContact CH2-CG 4.47Å; W4-Y291 AromaticContact CH2-CZ 3.92Å; W4-Y291 HydrophobicContact CZ2-CD1 4.36Å; W4-Y291 AromaticContact CZ2-CE1 3.65Å; W4-Y291 HydrophobicContact CZ2-CE1 3.65Å; W4-Y291 AromaticContact CZ2-CZ 3.79Å; W4-V301 HydrophobicContact CZ2-CB 4.23Å; W4-V301 HydrophobicContact CZ2-CG1 4.28Å; W4-P303 HydrophobicContact CD2-CB 3.88Å; W4-P303 HydrophobicContact CE3-CB 3.43Å; W4-P303 VanDerWaalsContact CE3-CB 3.43Å; W4-P303 HydrophobicContact CE3-CG 4.23Å; W4-P303 HydrophobicContact CH2-CB 3.69Å; W4-P303 HydrophobicContact CH2-CG 3.62Å; W4-P303 HydrophobicContact CZ2-CB 4.13Å; W4-P303 HydrophobicContact CZ2-CG 4.3Å; W4-P303 HydrophobicContact CZ3-CB 3.32Å; W4-P303 HydrophobicContact CZ3-CG 3.58Å; W4-H306 AromaticContact CD1-CE1 3.93Å; W4-H306 AromaticContact CG-ND1 3.8Å; W4-F308 HydrophobicContact CB-CD1 3.93Å; W4-F308 HydrophobicContact CB-CE1 3.56Å; W4-F308 HydrophobicContact CB-CZ 4.26Å; W4-F308 HydrophobicContact CD2-CE1 4.45Å; W4-F308 HydrophobicContact CE3-CE1 4.1Å; W4-F308 AromaticContact CE3-CZ 3.84Å; W4-F308 HydrophobicContact CE3-CZ 3.84Å; W4-F308 HydrophobicContact CG-CE1 4.29Å
5F95Very high91.6Very high11 Ų1125.1 Ų25.15%0.04814%0.142CC..  trans-125.1130.7178.3-52-47.9000110.1H3 R7 A130 V143 L147 E190 E193H3-F5 HydrophobicContact CB-CE1 3.82Å; H3-F5 HydrophobicContact CB-CE2 4.08Å; H3-F5 HydrophobicContact CB-CZ 3.54Å; F5-R7 VanDerWaalsContact CB-NH1 3.27Å; F5-A130 HydrophobicContact CD2-CB 4.19Å; F5-A130 HydrophobicContact CE2-CB 3.69Å; F5-V143 HydrophobicContact CE2-CG1 4.18Å; F5-L147 HydrophobicContact CE2-CD1 4.16Å; F5-L147 HydrophobicContact CZ-CD1 4.4Å; F5-E190 HydrophobicContact CD1-CB 4Å; F5-E190 HydrophobicContact CD1-CG 3.55Å; F5-E190 HydrophobicContact CE1-CB 3.73Å; F5-E190 HydrophobicContact CE1-CG 3.79Å; F5-E190 HydrophobicContact CE2-CB 4.5Å; F5-E190 HydrophobicContact CG-CB 4.5Å; F5-E190 HydrophobicContact CG-CG 4.09Å; F5-E190 HydrophobicContact CZ-CB 4.01Å; F5-E190 HydrophobicContact CZ-CG 4.49Å; F5-E193 HydrophobicContact CE1-CG 4.4Å; F5-E193 WeakPolarHBondContact CE1-OE2 3.17Å
6H94.6Very high91.8Very high3 Ų324.6 Ų24.61%0.01414%0.139CC..  trans-71139.9173168.279000109.8N8 W238 Y241 Y291 P297H6-N8 PolarHBondContact NE2-OD1 2.87Å; H6-W238 AromaticContact CD2-CD1 3.71Å; H6-Y241 HydrophobicContact CB-CD1 3.64Å; H6-Y241 HydrophobicContact CB-CD2 3.44Å; H6-Y241 VanDerWaalsContact CB-CD2 3.44Å; H6-Y241 HydrophobicContact CB-CE1 3.93Å; H6-Y241 HydrophobicContact CB-CE2 3.75Å; H6-Y241 HydrophobicContact CB-CG 3.37Å; H6-Y291 AromaticContact ND1-CE2 3.83Å; H6-Y291 AromaticContact ND1-CZ 3.76Å; H6-Y291 PolarHBondContact ND1-OH 3.42Å; H6-P297 PolarHBondContact CE1-O 3.39Å
7R95.9Very high91.8Very high21 Ų2126.9 Ų26.98%0.07916%0.158CC..  trans-130122176.5-65-67.8173.6-104.89109.7F5 T123 K124 S127 E190 G298F5-R7 VanDerWaalsContact CB-NH1 3.27Å; R7-T123 VanDerWaalsContact CZ-O 3.26Å; R7-T123 PolarHBondContact NE-O 3.19Å; R7-T123 PolarHBondContact NE-OG1 2.86Å; R7-T123 PolarHBondContact NH2-O 2.92Å; R7-K124 HydrophobicContact CB-CG 4.39Å; R7-K124 HydrophobicContact CG-CG 4.11Å; R7-S127 PolarHBondContact NE-OG 2.94Å; R7-E190 IonicContact CZ-OE1 3.59Å; R7-E190 IonicContact CZ-OE2 3.82Å; R7-E190 VanDerWaalsContact CZ-OE2 3.27Å; R7-E190 VanDerWaalsContact NH1-CD 3.28Å; R7-E190 IonicContact NH1-OE1 3.93Å; R7-E190 PolarHBondContact NH1-OE1 3.05Å; R7-E190 IonicContact NH1-OE2 2.9Å; R7-E190 PolarHBondContact NH1-OE2 3.47Å; R7-E190 IonicContact NH2-OE1 2.86Å; R7-E190 IonicContact NH2-OE2 3.84Å; R7-E190 PolarHBondContact NH2-OE2 2.97Å; R7-G298 WeakPolarHBondContact O-CA 3.5Å
8N95.6Very high91.9Very high6 Ų625.6 Ų25.63%0.03215%0.15CC..PPolyproline II helixtrans-67.2158.6160.6-65.2-39.1000109.6H6 T95 K124 Y183H6-N8 PolarHBondContact NE2-OD1 2.87Å; N8-T95 HydrophobicContact CB-CG2 4.44Å; N8-K124 WeakPolarHBondContact O-CE 3.43Å; N8-K124 PolarHBondContact O-NZ 3.23Å; N8-Y183 WeakPolarHBondContact CB-OH 3.3Å; N8-Y183 PolarHBondContact ND2-OH 3.12Å
9P94.9Very high91.9Very high41 Ų4128.6 Ų28.627%0.26617%0.165SC..PPolyproline II helixtrans-63.4153.5178.727-36000112.3T95 P297P9-T95 WeakPolarHBondContact CD-O 3.17Å; P9-P297 HydrophobicContact CG-CB 4.49Å
10L95.9Very high91.9Very high9 Ų928.1 Ų28.15%0.04716%0.16CC..PPolyproline II helixtrans-59.3151164.8-74.4167.9000110.4F47 N117 L120 K124 V395 E397L10-F47 HydrophobicContact CD1-CB 3.92Å; L10-N117 WeakPolarHBondContact CD2-OD1 3.23Å; L10-L120 HydrophobicContact CD2-CB 3.81Å; L10-K124 HydrophobicContact CD1-CD 4.27Å; L10-K124 HydrophobicContact CD2-CD 3.91Å; L10-K124 HydrophobicContact CG-CD 3.75Å; L10-V395 HydrophobicContact CB-CB 4.21Å; L10-V395 HydrophobicContact CB-CG1 4.29Å; L10-V395 HydrophobicContact CB-CG2 4.14Å; L10-V395 HydrophobicContact CD1-CG1 3.99Å; L10-E397 WeakPolarHBondContact CB-OE1 3.13Å; L10-E397 HydrophobicContact CD1-CG 4.43Å; L10-E397 VanDerWaalsContact CG-OE1 3.26Å; L10-E397 WeakPolarHBondContact CG-OE1 3.4Å; L10-E397 PolarHBondContact N-OE1 3.2Å
11K96.4Very high91.8Very high1 Ų134 Ų340%0.00418%0.181CC..PPolyproline II helixtrans-73.1139.4171.5-56.1171.266.664.20109.1W92 T93 D94 T95 F116 N117 L120 D174 V395K11-W92 HydrophobicContact CB-CE3 3.57Å; K11-W92 HydrophobicContact CB-CZ3 3.85Å; K11-T93 WeakPolarHBondContact CB-O 3.27Å; K11-T93 WeakPolarHBondContact CE-O 3.37Å; K11-T93 PolarHBondContact NZ-O 2.99Å; K11-D94 IonicContact NZ-OD1 3.65Å; K11-D94 PolarHBondContact NZ-OD1 3.42Å; K11-T95 HydrophobicContact CG-CG2 4.35Å; K11-F116 HydrophobicContact CD-CB 4.32Å; K11-F116 HydrophobicContact CD-CD1 3.83Å; K11-F116 HydrophobicContact CD-CG 4.32Å; K11-N117 PolarHBondContact N-OD1 3.38Å; K11-N117 PolarHBondContact O-ND2 3.25Å; K11-L120 HydrophobicContact CD-CD1 4.5Å; K11-L120 HydrophobicContact CG-CD1 4.12Å; K11-D174 VanDerWaalsContact CD-OD2 3.26Å; K11-D174 WeakPolarHBondContact CD-OD2 3.41Å; K11-D174 WeakPolarHBondContact CG-OD2 3.31Å; K11-D174 IonicContact NZ-OD2 3.69Å; K11-D174 PolarHBondContact NZ-OD2 2.87Å; K11-V395 VanDerWaalsContact O-CG2 3.3Å; K11-V395 WeakPolarHBondContact O-CG2 3.43Å
12A95.4Very high92.8Very high4 Ų432.2 Ų32.23%0.03318%0.183CC..PPolyproline II helixtrans-103.8153.5171.500000109.7W92 T93 V392 K393 V395A12-W92 CarbonylContact O-C 3.56Å; A12-W92 VanDerWaalsContact O-CA 3.27Å; A12-W92 WeakPolarHBondContact O-CA 3.28Å; A12-T93 HydrophobicContact CB-CG2 4.15Å; A12-T93 PolarHBondContact N-OG1 3.31Å; A12-T93 PolarHBondContact O-N 3.35Å; A12-V392 HydrophobicContact CB-CG1 3.61Å; A12-K393 VanDerWaalsContact CB-O 3.25Å; A12-K393 WeakPolarHBondContact CB-O 3.45Å; A12-V395 HydrophobicContact CB-CG2 3.83Å
13T96.1Very high93.3Very high22 Ų2231 Ų3114%0.13518%0.176CC..BIsolated β-bridgetrans-137.4153.2-179.8-172.70000111.8R40 L44 K91 W92T13-R40 PolarHBondContact OG1-NH2 3.35Å; T13-L44 HydrophobicContact CG2-CD1 3.73Å; T13-L44 HydrophobicContact CG2-CD2 3.63Å; T13-L44 HydrophobicContact CG2-CG 4.37Å; T13-K91 WeakPolarHBondContact CA-O 3.41Å; T13-K91 WeakPolarHBondContact CB-O 3.27Å; T13-K91 PolarHBondContact OG1-O 3.25Å; T13-W92 VanDerWaalsContact CB-CD2 3.49Å; T13-W92 VanDerWaalsContact CB-CE2 3.5Å; T13-W92 HydrophobicContact CG2-CD2 4.5Å; T13-W92 HydrophobicContact CG2-CE3 4.38Å; T13-W92 HydrophobicContact CG2-CH2 3.73Å; T13-W92 HydrophobicContact CG2-CZ2 3.82Å; T13-W92 HydrophobicContact CG2-CZ3 4.01Å
14A93Very high93.4Very high14 Ų1431.5 Ų31.512%0.11618%0.18CC..  trans-64.7145.3168.700000110.7R40 K91 V392A14-R40 PolarHBondContact O-NH1 2.91Å; A14-K91 HydrophobicContact CB-CB 4.05Å; A14-K91 PolarHBondContact N-O 3.44Å; A14-K91 VanDerWaalsContact N-O 3.14Å; A14-V392 HydrophobicContact CB-CG2 4.26Å
15P91.8Very high93.3Very high97 Ų9733.2 Ų33.263%0.6319%0.193SC*.  trans-58.8142.3168.9-21.533.4000111
16V93.6Very high93.1Very high16 Ų1634.8 Ų34.810%0.09721%0.212CC..  trans-126.4120.3177.4-1790000108.4F18 Q88 F90V16-F18 HydrophobicContact CB-CD2 4.33Å; V16-F18 HydrophobicContact CB-CE2 3.97Å; V16-F18 HydrophobicContact CB-CZ 4.3Å; V16-F18 HydrophobicContact CG1-CD1 4.1Å; V16-F18 HydrophobicContact CG1-CD2 3.78Å; V16-F18 HydrophobicContact CG1-CE1 3.98Å; V16-F18 HydrophobicContact CG1-CE2 3.67Å; V16-F18 HydrophobicContact CG1-CG 4Å; V16-F18 HydrophobicContact CG1-CZ 3.77Å; V16-Q88 HydrophobicContact CG1-CG 3.9Å; V16-F90 HydrophobicContact CG1-CE1 4.27Å; V16-F90 HydrophobicContact CG2-CD1 3.97Å; V16-F90 HydrophobicContact CG2-CE1 4.16Å
17S92.4Very high93.1Very high65 Ų6540.1 Ų40.146%0.45525%0.247SC..  trans-84.2-17.3-177.764.40000113.6N19S17-N19 PolarHBondContact O-N 2.98Å; S17-N19 PolarHBondContact OG-N 2.73Å
18F93.9Very high92.9Very high2 Ų241.5 Ų41.51%0.00926%0.26CS..  trans52.229.9-170.8-62.5-86.2000113.1V16 Y20 C33 L36 R37 R40 Y64 F71 F90V16-F18 HydrophobicContact CB-CD2 4.33Å; V16-F18 HydrophobicContact CB-CE2 3.97Å; V16-F18 HydrophobicContact CB-CZ 4.3Å; V16-F18 HydrophobicContact CG1-CD1 4.1Å; V16-F18 HydrophobicContact CG1-CD2 3.78Å; V16-F18 HydrophobicContact CG1-CE1 3.98Å; V16-F18 HydrophobicContact CG1-CE2 3.67Å; V16-F18 HydrophobicContact CG1-CG 4Å; V16-F18 HydrophobicContact CG1-CZ 3.77Å; F18-Y20 WeakPolarHBondContact CD1-OH 3.44Å; F18-C33 HydrophobicContact CB-CB 4.27Å; F18-C33 VanDerWaalsContact O-CB 3.3Å; F18-C33 WeakPolarHBondContact O-CB 3.32Å; F18-L36 HydrophobicContact CB-CB 4.45Å; F18-L36 HydrophobicContact CD1-CB 4Å; F18-L36 HydrophobicContact CD1-CD1 3.99Å; F18-L36 HydrophobicContact CD2-CB 3.91Å; F18-L36 HydrophobicContact CE1-CB 4.2Å; F18-L36 HydrophobicContact CE1-CD1 4.3Å; F18-L36 HydrophobicContact CE1-CD2 4.42Å; F18-L36 HydrophobicContact CE2-CB 4.08Å; F18-L36 HydrophobicContact CG-CB 3.86Å; F18-L36 HydrophobicContact CZ-CB 4.23Å; F18-R37 HydrophobicContact CD2-CB 3.99Å; F18-R40 HydrophobicContact CE2-CB 4.24Å; F18-Y64 HydrophobicContact CZ-CE2 4.35Å; F18-F71 HydrophobicContact CD1-CE2 4.09Å; F18-F71 HydrophobicContact CD1-CZ 4.24Å; F18-F71 HydrophobicContact CE1-CE2 4.04Å; F18-F90 HydrophobicContact CE1-CE1 4.26Å; F18-F90 HydrophobicContact CE1-CZ 4.24Å; F18-F90 HydrophobicContact CZ-CE1 4.21Å
19N91.1Very high92.9Very high83 Ų8341.2 Ų41.244%0.44426%0.259SS..  trans-96110.1176.3-176.10.3000110.2S17 Y21S17-N19 PolarHBondContact O-N 2.98Å; S17-N19 PolarHBondContact OG-N 2.73Å; N19-Y21 PolarHBondContact OD1-N 3.42Å
20Y91.8Very high92.8Very high18 Ų1841.7 Ų41.77%0.07126%0.263CS..  trans-102.716.3178.3-43.6-73.3000113.6F18 G22 V23 V24 F71 I87 Q88 F373F18-Y20 WeakPolarHBondContact CD1-OH 3.44Å; Y20-G22 PolarHBondContact O-N 3.11Å; Y20-V23 VanDerWaalsContact O-CB 3.27Å; Y20-V23 WeakPolarHBondContact O-CB 3.06Å; Y20-V23 WeakPolarHBondContact O-CG2 3.44Å; Y20-V23 PolarHBondContact O-N 3.22Å; Y20-V23 VanDerWaalsContact O-N 3.09Å; Y20-V24 HydrophobicContact CD2-CG2 3.68Å; Y20-V24 HydrophobicContact CG-CG2 4.29Å; Y20-F71 HydrophobicContact CE2-CZ 4.05Å; Y20-F71 AromaticContact CZ-CZ 4Å; Y20-F71 WeakPolarHBondContact OH-CE2 3.44Å; Y20-F71 WeakPolarHBondContact OH-CZ 3.4Å; Y20-I87 HydrophobicContact CD1-CD1 3.77Å; Y20-I87 HydrophobicContact CD1-CG1 3.84Å; Y20-I87 HydrophobicContact CD2-CD1 4.03Å; Y20-I87 HydrophobicContact CE1-CB 4.47Å; Y20-I87 HydrophobicContact CE1-CD1 4.01Å; Y20-I87 HydrophobicContact CE1-CG1 3.89Å; Y20-I87 HydrophobicContact CE1-CG2 3.91Å; Y20-I87 HydrophobicContact CE2-CD1 4.24Å; Y20-I87 HydrophobicContact CG-CD1 3.77Å; Y20-I87 HydrophobicContact CG-CG1 4.35Å; Y20-Q88 HydrophobicContact CE1-CB 4.21Å; Y20-F373 HydrophobicContact CD2-CD1 4.45Å; Y20-F373 HydrophobicContact CD2-CE1 4.05Å; Y20-F373 HydrophobicContact CE2-CE1 4.14Å
21Y90.2Very high92.8Very high154 Ų15446.2 Ų46.260%0.60428%0.282SS*.G310 helixtrans51.5-128.7176.2-56.1-88.3000111.5N19 V23 V24N19-Y21 PolarHBondContact OD1-N 3.42Å; Y21-V23 PolarHBondContact O-N 3.2Å; Y21-V24 PolarHBondContact O-N 2.92Å
22G87.4Confident92.9Very high42 Ų4246.3 Ų46.343%0.43328%0.283SS..G310 helixtrans-63.9-7.6-177.600000115.8Y20 K377Y20-G22 PolarHBondContact O-N 3.11Å; G22-K377 WeakPolarHBondContact O-CB 3.45Å; G22-K377 VanDerWaalsContact O-CD 3.3Å; G22-K377 WeakPolarHBondContact O-CD 3.19Å
23V91.4Very high92.9Very high3 Ų346.5 Ų46.52%0.01828%0.284CS..G310 helixtrans-73-32.5174.5174.80000111.6Y20 Y21 I87 F373 D374 L375 R378Y20-V23 VanDerWaalsContact O-CB 3.27Å; Y20-V23 WeakPolarHBondContact O-CB 3.06Å; Y20-V23 WeakPolarHBondContact O-CG2 3.44Å; Y20-V23 PolarHBondContact O-N 3.22Å; Y20-V23 VanDerWaalsContact O-N 3.09Å; Y21-V23 PolarHBondContact O-N 3.2Å; V23-I87 HydrophobicContact CG1-CD1 3.97Å; V23-F373 CarbonylContact O-C 3.46Å; V23-F373 WeakPolarHBondContact O-CA 3.47Å; V23-D374 WeakPolarHBondContact CG1-O 3.49Å; V23-D374 PolarHBondContact O-N 3.44Å; V23-L375 HydrophobicContact CG1-CD2 4.13Å; V23-R378 HydrophobicContact CG2-CB 4.34Å; V23-R378 HydrophobicContact CG2-CG 3.78Å
24V92Very high93Very high23 Ų2349.1 Ų49.114%0.13930%0.297CS..BIsolated β-bridgetrans-95.9127.8178.1-174.80000109.7Y20 Y21 A29 F373Y20-V24 HydrophobicContact CD2-CG2 3.68Å; Y20-V24 HydrophobicContact CG-CG2 4.29Å; Y21-V24 PolarHBondContact O-N 2.92Å; V24-A29 HydrophobicContact CG1-CB 3.54Å; V24-F373 HydrophobicContact CG2-CD1 3.86Å; V24-F373 HydrophobicContact CG2-CE1 3.69Å
25T91.1Very high93.2Very high63 Ų6350.2 Ų50.239%0.38730%0.301SS..  trans-127.6146.9173.255.70000110.9A372T25-A372 PolarHBondContact N-O 3.36Å; T25-A372 WeakPolarHBondContact O-CB 3.5Å; T25-A372 PolarHBondContact OG1-O 3.48Å
26G91.1Very high93.5Very high43 Ų4345.6 Ų45.644%0.44327%0.271SS..SBendtrans83.5161.2176.400000115.4S30G26-S30 WeakPolarHBondContact O-CB 3.41Å; G26-S30 PolarHBondContact O-N 2.95Å; G26-S30 PolarHBondContact O-OG 3.19Å
27P93.4Very high93.7Very high116 Ų11650.4 Ų50.475%0.75329%0.287SS*.Hα-helixtrans-72.8-33.9-17027.3-34.4000113.6K31P27-K31 WeakPolarHBondContact O-CB 3.43Å; P27-K31 PolarHBondContact O-N 3.28Å
28S93.3Very high93.9Very high50 Ų5050.5 Ų50.535%0.3529%0.288SS..Hα-helixtrans-67-48.6-178.153.20000112.4S30 K31 I32S28-S30 PolarHBondContact O-N 2.9Å; S28-K31 WeakPolarHBondContact O-CB 3.37Å; S28-K31 PolarHBondContact O-N 3.42Å; S28-I32 PolarHBondContact O-N 3.48Å
29A93.9Very high94.1Very high0 Ų051 Ų510%029%0.292CS..Hα-helixtrans-67.8-36.6178.500000112V24 K31 I32 C33 T369 A372 F373V24-A29 HydrophobicContact CG1-CB 3.54Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 3.48Å; A29-I32 PolarHBondContact O-N 3.12Å; A29-C33 PolarHBondContact O-N 2.97Å; A29-C33 PolarHBondContact O-SG 3.49Å; A29-T369 HydrophobicContact CB-CG2 4.2Å; A29-A372 HydrophobicContact CB-CB 3.67Å; A29-F373 HydrophobicContact CB-CD2 4.08Å; A29-F373 HydrophobicContact CB-CE2 3.57Å; A29-F373 HydrophobicContact CB-CZ 3.97Å
30S94.6Very high94.5Very high50 Ų5047.3 Ų47.335%0.3527%0.272SS..Hα-helixtrans-62.1-40171.9-59.30000111.9G26 S28 C33 N34G26-S30 WeakPolarHBondContact O-CB 3.41Å; G26-S30 PolarHBondContact O-N 2.95Å; G26-S30 PolarHBondContact O-OG 3.19Å; S28-S30 PolarHBondContact O-N 2.9Å; S30-C33 PolarHBondContact O-N 3.3Å; S30-N34 PolarHBondContact O-N 3.46Å; S30-N34 VanDerWaalsContact O-N 3.09Å; S30-N34 PolarHBondContact O-ND2 2.85Å
31K96.1Very high94.7Very high104 Ų10449.1 Ų49.145%0.45229%0.29SS..Hα-helixtrans-63.3-46.7175.1-174.1-177.6-178.7-62.90111.6P27 S28 A29 C33 N34 D35P27-K31 WeakPolarHBondContact O-CB 3.43Å; P27-K31 PolarHBondContact O-N 3.28Å; S28-K31 WeakPolarHBondContact O-CB 3.37Å; S28-K31 PolarHBondContact O-N 3.42Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 3.48Å; K31-C33 VanDerWaalsContact C-N 3.3Å; K31-C33 PolarHBondContact O-N 3.26Å; K31-N34 WeakPolarHBondContact O-CB 3.4Å; K31-N34 PolarHBondContact O-N 2.84Å; K31-N34 VanDerWaalsContact O-N 3.14Å; K31-D35 IonicContact NZ-OD1 3.95Å; K31-D35 IonicContact NZ-OD2 2.67Å; K31-D35 PolarHBondContact NZ-OD2 3.48Å; K31-D35 WeakPolarHBondContact O-CB 3.43Å; K31-D35 PolarHBondContact O-N 3.48Å
32I96.6Very high95.1Very high3 Ų347 Ų472%0.01528%0.281CS..Hα-helixtrans-57.7-42.6175.7-76-168.9000111.6S28 A29 N34 D35 L36 Q364 W365 T369S28-I32 PolarHBondContact O-N 3.48Å; A29-I32 PolarHBondContact O-N 3.12Å; I32-N34 VanDerWaalsContact C-N 3.32Å; I32-N34 PolarHBondContact O-N 2.88Å; I32-D35 PolarHBondContact O-N 3.29Å; I32-L36 HydrophobicContact CG2-CD1 3.79Å; I32-L36 HydrophobicContact CG2-CG 4.29Å; I32-L36 WeakPolarHBondContact O-CB 3.5Å; I32-L36 WeakPolarHBondContact O-CG 3.32Å; I32-L36 PolarHBondContact O-N 3.37Å; I32-Q364 HydrophobicContact CD1-CB 4.14Å; I32-Q364 HydrophobicContact CG1-CB 4.26Å; I32-W365 HydrophobicContact CD1-CD2 3.64Å; I32-W365 HydrophobicContact CD1-CE3 3.83Å; I32-W365 HydrophobicContact CD1-CG 4.1Å; I32-W365 HydrophobicContact CD1-CH2 4.34Å; I32-W365 HydrophobicContact CD1-CZ2 4.2Å; I32-W365 HydrophobicContact CD1-CZ3 4.17Å; I32-W365 HydrophobicContact CG2-CH2 3.84Å; I32-W365 HydrophobicContact CG2-CZ2 3.49Å; I32-W365 VanDerWaalsContact CG2-CZ2 3.49Å; I32-T369 HydrophobicContact CD1-CG2 3.45Å; I32-T369 VanDerWaalsContact CD1-CG2 3.45Å; I32-T369 HydrophobicContact CG1-CG2 4.16Å
33C96.6Very high95.6Very high9 Ų945 Ų456%0.06126%0.261CS..Hα-helixtrans-62.4-41177.8-66.30000112F18 A29 S30 K31 R37F18-C33 HydrophobicContact CB-CB 4.27Å; F18-C33 VanDerWaalsContact O-CB 3.3Å; F18-C33 WeakPolarHBondContact O-CB 3.32Å; A29-C33 PolarHBondContact O-N 2.97Å; A29-C33 PolarHBondContact O-SG 3.49Å; S30-C33 PolarHBondContact O-N 3.3Å; K31-C33 VanDerWaalsContact C-N 3.3Å; K31-C33 PolarHBondContact O-N 3.26Å; C33-R37 WeakPolarHBondContact O-CB 3.43Å; C33-R37 PolarHBondContact O-N 3.03Å
34N97Very high95.9Very high76 Ų7647 Ų4741%0.40627%0.271SS..Hα-helixtrans-65.7-42.3174.9-73.2-39.9000112.2S30 K31 I32 R37 S38S30-N34 PolarHBondContact O-N 3.46Å; S30-N34 VanDerWaalsContact O-N 3.09Å; S30-N34 PolarHBondContact O-ND2 2.85Å; K31-N34 WeakPolarHBondContact O-CB 3.4Å; K31-N34 PolarHBondContact O-N 2.84Å; K31-N34 VanDerWaalsContact O-N 3.14Å; I32-N34 VanDerWaalsContact C-N 3.32Å; I32-N34 PolarHBondContact O-N 2.88Å; N34-R37 PolarHBondContact O-N 3.28Å; N34-R37 PolarHBondContact OD1-NH2 3.18Å; N34-S38 PolarHBondContact O-N 2.87Å; N34-S38 PolarHBondContact O-OG 3.19Å
35D97.8Very high96.1Very high38 Ų3851.1 Ų51.120%0.20329%0.289CS..Hα-helixtrans-68.1-38.5179.1-69.5-6.1000111.2K31 I32 S38 S39 L67 Q364K31-D35 IonicContact NZ-OD1 3.95Å; K31-D35 IonicContact NZ-OD2 2.67Å; K31-D35 PolarHBondContact NZ-OD2 3.48Å; K31-D35 WeakPolarHBondContact O-CB 3.43Å; K31-D35 PolarHBondContact O-N 3.48Å; I32-D35 PolarHBondContact O-N 3.29Å; D35-S38 WeakPolarHBondContact CA-OG 3.29Å; D35-S38 PolarHBondContact O-N 2.64Å; D35-S38 PolarHBondContact O-OG 3.02Å; D35-S39 WeakPolarHBondContact O-CB 3.44Å; D35-S39 PolarHBondContact O-N 3.33Å; D35-S39 PolarHBondContact O-OG 3.43Å; D35-L67 HydrophobicContact CB-CD1 3.93Å; D35-Q364 PolarHBondContact OD2-NE2 2.94Å; D35-Q364 PolarHBondContact OD2-OE1 3.3Å
36L98.1Very high96.3Very high0 Ų048.3 Ų48.30%027%0.271CS..Hα-helixtrans-60.2-46.3171.1-83.8166000111.3F18 I32 S39 R40 Y64 L67 F71F18-L36 HydrophobicContact CB-CB 4.45Å; F18-L36 HydrophobicContact CD1-CB 4Å; F18-L36 HydrophobicContact CD1-CD1 3.99Å; F18-L36 HydrophobicContact CD2-CB 3.91Å; F18-L36 HydrophobicContact CE1-CB 4.2Å; F18-L36 HydrophobicContact CE1-CD1 4.3Å; F18-L36 HydrophobicContact CE1-CD2 4.42Å; F18-L36 HydrophobicContact CE2-CB 4.08Å; F18-L36 HydrophobicContact CG-CB 3.86Å; F18-L36 HydrophobicContact CZ-CB 4.23Å; I32-L36 HydrophobicContact CG2-CD1 3.79Å; I32-L36 HydrophobicContact CG2-CG 4.29Å; I32-L36 WeakPolarHBondContact O-CB 3.5Å; I32-L36 WeakPolarHBondContact O-CG 3.32Å; I32-L36 PolarHBondContact O-N 3.37Å; L36-S39 PolarHBondContact O-OG 2.73Å; L36-R40 WeakPolarHBondContact O-CB 3.38Å; L36-R40 PolarHBondContact O-N 3.08Å; L36-Y64 HydrophobicContact CD2-CE2 4.26Å; L36-L67 HydrophobicContact CD2-CB 3.54Å; L36-L67 HydrophobicContact CG-CB 4.06Å; L36-F71 HydrophobicContact CD1-CE1 3.88Å; L36-F71 HydrophobicContact CD1-CE2 4.34Å; L36-F71 HydrophobicContact CD1-CZ 3.6Å
37R97.6Very high96.5Very high116 Ų11646.9 Ų46.944%0.43825%0.253SS..Hα-helixtrans-62.3-48.4178.5-176.5-179.364-152.2-6.6111.6F18 C33 N34 A41F18-R37 HydrophobicContact CD2-CB 3.99Å; C33-R37 WeakPolarHBondContact O-CB 3.43Å; C33-R37 PolarHBondContact O-N 3.03Å; N34-R37 PolarHBondContact O-N 3.28Å; N34-R37 PolarHBondContact OD1-NH2 3.18Å; R37-A41 VanDerWaalsContact O-CB 3.31Å; R37-A41 WeakPolarHBondContact O-CB 3.42Å; R37-A41 PolarHBondContact O-N 3.12Å
38S97.6Very high96.5Very high67 Ų6743.9 Ų43.947%0.46923%0.232SC..Hα-helixtrans-70.4-43.6-176.462.30000112.2N34 D35 A41 R42N34-S38 PolarHBondContact O-N 2.87Å; N34-S38 PolarHBondContact O-OG 3.19Å; D35-S38 WeakPolarHBondContact CA-OG 3.29Å; D35-S38 PolarHBondContact O-N 2.64Å; D35-S38 PolarHBondContact O-OG 3.02Å; S38-A41 PolarHBondContact O-N 2.77Å; S38-R42 WeakPolarHBondContact O-CB 3.47Å; S38-R42 PolarHBondContact O-N 3.26Å
39S98.3Very high96.4Very high14 Ų1443.8 Ų43.810%0.09823%0.228CC..Hα-helixtrans-64.2-42.4176.858.30000112.1D35 L36 R42 L43D35-S39 WeakPolarHBondContact O-CB 3.44Å; D35-S39 PolarHBondContact O-N 3.33Å; D35-S39 PolarHBondContact O-OG 3.43Å; L36-S39 PolarHBondContact O-OG 2.73Å; S39-R42 PolarHBondContact O-N 3.31Å; S39-L43 WeakPolarHBondContact O-CB 3.43Å; S39-L43 PolarHBondContact O-N 3.03Å
40R98.4Very high96.3Very high5 Ų548.3 Ų48.32%0.01925%0.252CS..Hα-helixtrans-60.7-47.9174.2-167.4-178.8-171.9-101.94.2111.9T13 A14 F18 L36 R42 L43 L44 Y64 E110 M114T13-R40 PolarHBondContact OG1-NH2 3.35Å; A14-R40 PolarHBondContact O-NH1 2.91Å; F18-R40 HydrophobicContact CE2-CB 4.24Å; L36-R40 WeakPolarHBondContact O-CB 3.38Å; L36-R40 PolarHBondContact O-N 3.08Å; R40-R42 VanDerWaalsContact C-N 3.33Å; R40-R42 PolarHBondContact O-N 3.23Å; R40-L43 PolarHBondContact O-N 3.41Å; R40-L44 HydrophobicContact CG-CD1 4.08Å; R40-L44 WeakPolarHBondContact O-CG 3.31Å; R40-L44 PolarHBondContact O-N 3.13Å; R40-Y64 HydrophobicContact CB-CD2 3.75Å; R40-Y64 HydrophobicContact CB-CE2 3.49Å; R40-Y64 VanDerWaalsContact CB-CE2 3.49Å; R40-Y64 HydrophobicContact CG-CD2 4.32Å; R40-Y64 HydrophobicContact CG-CE1 4.3Å; R40-Y64 HydrophobicContact CG-CE2 3.77Å; R40-E110 IonicContact CZ-OE1 3.73Å; R40-E110 VanDerWaalsContact CZ-OE1 3.26Å; R40-E110 IonicContact NE-OE1 2.71Å; R40-E110 PolarHBondContact NE-OE1 3.23Å; R40-E110 IonicContact NH2-OE1 2.87Å; R40-E110 PolarHBondContact NH2-OE1 2.93Å; R40-E110 IonicContact NH2-OE2 2.8Å; R40-E110 PolarHBondContact NH2-OE2 2.86Å; R40-M114 HydrophobicContact CG-CE 3.89Å
41A97.1Very high96.2Very high55 Ų5549.8 Ų49.846%0.45526%0.262SS..Hα-helixtrans-61.7-42.8179.300000111.5R37 S38 L44 E45R37-A41 VanDerWaalsContact O-CB 3.31Å; R37-A41 WeakPolarHBondContact O-CB 3.42Å; R37-A41 PolarHBondContact O-N 3.12Å; S38-A41 PolarHBondContact O-N 2.77Å; A41-L44 PolarHBondContact O-N 3.37Å; A41-E45 PolarHBondContact O-N 3.36Å
42R97.5Very high96.2Very high110 Ų11044.9 Ų44.942%0.41524%0.241SC..Hα-helixtrans-62.5-44.6177.2-179.356.5178.2169.32.2112.2S38 S39 R40 E45 L46S38-R42 WeakPolarHBondContact O-CB 3.47Å; S38-R42 PolarHBondContact O-N 3.26Å; S39-R42 PolarHBondContact O-N 3.31Å; R40-R42 VanDerWaalsContact C-N 3.33Å; R40-R42 PolarHBondContact O-N 3.23Å; R42-E45 IonicContact CZ-OE2 2.81Å; R42-E45 IonicContact NH1-OE2 3.4Å; R42-E45 PolarHBondContact NH1-OE2 3.32Å; R42-E45 PolarHBondContact O-N 2.93Å; R42-L46 WeakPolarHBondContact O-CG 3.39Å; R42-L46 PolarHBondContact O-N 3.03Å
43L98.2Very high96.2Very high0 Ų047.5 Ų47.50%026%0.255CS..Hα-helixtrans-61.8-43.9177.1179.558.3000111.7S39 R40 E45 L46 F47 M57 A60 A61 Y64 F65 M114 V118S39-L43 WeakPolarHBondContact O-CB 3.43Å; S39-L43 PolarHBondContact O-N 3.03Å; R40-L43 PolarHBondContact O-N 3.41Å; L43-E45 VanDerWaalsContact C-N 3.35Å; L43-E45 PolarHBondContact O-N 2.87Å; L43-L46 PolarHBondContact O-N 3.39Å; L43-F47 HydrophobicContact CD1-CE1 4.26Å; L43-F47 HydrophobicContact CD1-CZ 4.18Å; L43-F47 HydrophobicContact CG-CE2 4.42Å; L43-F47 HydrophobicContact CG-CZ 3.97Å; L43-M57 HydrophobicContact CD1-CE 4.35Å; L43-M57 HydrophobicContact CD1-SD 3.51Å; L43-M57 VanDerWaalsContact CD1-SD 3.51Å; L43-A60 HydrophobicContact CB-CB 4.48Å; L43-A60 HydrophobicContact CD1-CB 4.07Å; L43-A61 HydrophobicContact CD1-CB 4.28Å; L43-Y64 HydrophobicContact CD2-CD1 3.78Å; L43-Y64 HydrophobicContact CD2-CG 4.27Å; L43-F65 HydrophobicContact CD2-CZ 4.48Å; L43-M114 HydrophobicContact CD2-CE 4.49Å; L43-M114 HydrophobicContact CD2-CG 3.64Å; L43-M114 HydrophobicContact CD2-SD 3.75Å; L43-M114 HydrophobicContact CG-SD 4.17Å; L43-V118 HydrophobicContact CD1-CG2 4.29Å; L43-V118 HydrophobicContact CD2-CG2 4.41Å
44L97.4Very high96.2Very high46 Ų4648.1 Ų48.124%0.24126%0.258CS..Hα-helixtrans-62.6-39.6178.1-75.9165.9000112.8T13 R40 A41 L46 F47 W92 M114T13-L44 HydrophobicContact CG2-CD1 3.73Å; T13-L44 HydrophobicContact CG2-CD2 3.63Å; T13-L44 HydrophobicContact CG2-CG 4.37Å; R40-L44 HydrophobicContact CG-CD1 4.08Å; R40-L44 WeakPolarHBondContact O-CG 3.31Å; R40-L44 PolarHBondContact O-N 3.13Å; A41-L44 PolarHBondContact O-N 3.37Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 2.87Å; L44-F47 HydrophobicContact CD2-CD2 4.04Å; L44-F47 HydrophobicContact CD2-CE2 3.88Å; L44-F47 PolarHBondContact O-N 3.41Å; L44-W92 HydrophobicContact CD2-CH2 4.03Å; L44-M114 HydrophobicContact CD1-CE 4.32Å; L44-M114 HydrophobicContact CD2-CE 3.93Å; L44-M114 HydrophobicContact CD2-SD 4.26Å; L44-M114 HydrophobicContact CG-CE 3.91Å
45E95.9Very high96.2Very high109 Ų10950.9 Ų50.951%0.50927%0.269SS..Hα-helixtrans-61.1-42.1176.6-176.4-176.2-151.600111.8A41 R42 L43 F47 T48 D49A41-E45 PolarHBondContact O-N 3.36Å; R42-E45 IonicContact CZ-OE2 2.81Å; R42-E45 IonicContact NH1-OE2 3.4Å; R42-E45 PolarHBondContact NH1-OE2 3.32Å; R42-E45 PolarHBondContact O-N 2.93Å; L43-E45 VanDerWaalsContact C-N 3.35Å; L43-E45 PolarHBondContact O-N 2.87Å; E45-F47 PolarHBondContact O-N 3.43Å; E45-T48 PolarHBondContact O-N 2.96Å; E45-T48 PolarHBondContact O-OG1 2.66Å; E45-D49 PolarHBondContact O-N 3.02Å
46L96.9Very high96.2Very high3 Ų351.8 Ų51.82%0.01627%0.273CS..Hα-helixtrans-64.9-20.7-178.6-72.1179.9000113.8R42 L43 L44 T48 D49 C52 M56 M57 A60 W121R42-L46 WeakPolarHBondContact O-CG 3.39Å; R42-L46 PolarHBondContact O-N 3.03Å; L43-L46 PolarHBondContact O-N 3.39Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 2.87Å; L46-T48 PolarHBondContact O-N 3.25Å; L46-D49 HydrophobicContact CD2-CB 4.34Å; L46-D49 PolarHBondContact O-N 3.13Å; L46-C52 HydrophobicContact CD2-CB 4.2Å; L46-M56 HydrophobicContact CD2-CE 3.96Å; L46-M57 HydrophobicContact CB-CE 3.92Å; L46-A60 HydrophobicContact CD1-CB 3.43Å; L46-A60 VanDerWaalsContact CD1-CB 3.43Å; L46-W121 PolarHBondContact O-NE1 3.47Å
47F94.9Very high96.2Very high14 Ų1451.8 Ų51.86%0.06127%0.273CS..THydrogen-bonded Turntrans-63.9-29178.6-67.2-41.8000113.4L10 L43 L44 E45 M57 M114 N117 V118 W121L10-F47 HydrophobicContact CD1-CB 3.92Å; L43-F47 HydrophobicContact CD1-CE1 4.26Å; L43-F47 HydrophobicContact CD1-CZ 4.18Å; L43-F47 HydrophobicContact CG-CE2 4.42Å; L43-F47 HydrophobicContact CG-CZ 3.97Å; L44-F47 HydrophobicContact CD2-CD2 4.04Å; L44-F47 HydrophobicContact CD2-CE2 3.88Å; L44-F47 PolarHBondContact O-N 3.41Å; E45-F47 PolarHBondContact O-N 3.43Å; F47-M57 HydrophobicContact CD1-CE 3.62Å; F47-M57 HydrophobicContact CD1-SD 4.4Å; F47-M57 HydrophobicContact CE1-CE 3.78Å; F47-M57 HydrophobicContact CE1-SD 3.95Å; F47-M114 HydrophobicContact CE2-SD 3.6Å; F47-M114 HydrophobicContact CZ-SD 3.72Å; F47-N117 WeakPolarHBondContact CD2-ND2 3.4Å; F47-N117 HydrophobicContact CE1-CB 4.48Å; F47-N117 HydrophobicContact CE2-CB 4.05Å; F47-N117 VanDerWaalsContact CE2-ND2 3.32Å; F47-N117 WeakPolarHBondContact CE2-ND2 3.47Å; F47-N117 HydrophobicContact CZ-CB 3.92Å; F47-V118 HydrophobicContact CE1-CB 4.48Å; F47-V118 HydrophobicContact CE1-CG2 3.88Å; F47-V118 HydrophobicContact CZ-CG2 3.91Å; F47-W121 HydrophobicContact CD1-CB 3.83Å; F47-W121 HydrophobicContact CD1-CG 4.13Å; F47-W121 HydrophobicContact CE1-CB 4.22Å
48T92Very high96.3Very high53 Ų5351.2 Ų51.233%0.32527%0.274SS..THydrogen-bonded Turntrans-107.4-4.6179.250.20000113.7E45 L46 L50 V395 K396E45-T48 PolarHBondContact O-N 2.96Å; E45-T48 PolarHBondContact O-OG1 2.66Å; L46-T48 PolarHBondContact O-N 3.25Å; T48-L50 PolarHBondContact O-N 2.91Å; T48-V395 HydrophobicContact CG2-CG1 3.23Å; T48-K396 WeakPolarHBondContact CG2-O 3.48Å
49D92.7Very high96.3Very high47 Ų4752.1 Ų52.125%0.25127%0.273SS..  trans-75.4114.3177.7-176.1-6.8000110.6E45 L46 S51 C52E45-D49 PolarHBondContact O-N 3.02Å; L46-D49 HydrophobicContact CD2-CB 4.34Å; L46-D49 PolarHBondContact O-N 3.13Å; D49-S51 PolarHBondContact O-N 3.22Å; D49-S51 WeakPolarHBondContact OD1-CA 2.88Å; D49-S51 WeakPolarHBondContact OD1-CB 3.08Å; D49-S51 PolarHBondContact OD1-N 3.43Å; D49-S51 PolarHBondContact OD1-OG 2.95Å; D49-S51 PolarHBondContact OD2-OG 3.23Å; D49-S51 VanDerWaalsContact OD2-OG 3.11Å; D49-C52 HydrophobicContact CB-CB 4.15Å; D49-C52 WeakPolarHBondContact O-CB 3.46Å; D49-C52 PolarHBondContact O-N 2.87Å; D49-C52 VanDerWaalsContact O-N 3.11Å
50L91.1Very high96.3Very high96 Ų9652 Ų5250%0.50327%0.273SS..THydrogen-bonded Turntrans-67.3-22.1179.4-70.7177.1000113.6T48 C52 R128 P398T48-L50 PolarHBondContact O-N 2.91Å; L50-C52 VanDerWaalsContact C-N 3.3Å; L50-R128 PolarHBondContact O-NH2 2.78Å; L50-P398 HydrophobicContact CD1-CB 4.03Å; L50-P398 HydrophobicContact CD2-CB 3.83Å; L50-P398 HydrophobicContact CD2-CG 3.47Å; L50-P398 VanDerWaalsContact CD2-CG 3.47Å; L50-P398 HydrophobicContact CG-CB 4.04Å; L50-P398 HydrophobicContact CG-CG 4Å
51S92.9Very high96.3Very high80 Ų8052.1 Ų52.156%0.55928%0.275SS*.THydrogen-bonded Turntrans-81.4-13.1175.476.70000112.5D49 N53D49-S51 PolarHBondContact O-N 3.22Å; D49-S51 WeakPolarHBondContact OD1-CA 2.88Å; D49-S51 WeakPolarHBondContact OD1-CB 3.08Å; D49-S51 PolarHBondContact OD1-N 3.43Å; D49-S51 PolarHBondContact OD1-OG 2.95Å; D49-S51 PolarHBondContact OD2-OG 3.23Å; D49-S51 VanDerWaalsContact OD2-OG 3.11Å; S51-N53 PolarHBondContact O-N 3Å
52C96Very high96.3Very high2 Ų251.3 Ų51.31%0.01426%0.263CS..  trans-61.8128.9179-170.30000110.8L46 D49 L50 W121L46-C52 HydrophobicContact CD2-CB 4.2Å; D49-C52 HydrophobicContact CB-CB 4.15Å; D49-C52 WeakPolarHBondContact O-CB 3.46Å; D49-C52 PolarHBondContact O-N 2.87Å; D49-C52 VanDerWaalsContact O-N 3.11Å; L50-C52 VanDerWaalsContact C-N 3.3Å; C52-W121 HydrophobicContact CB-CZ2 3.96Å; C52-W121 WeakPolarHBondContact SG-CZ2 3.19Å
53N96.3Very high96.4Very high58 Ų5849 Ų4931%0.3126%0.264SS..  trans-115.5168.817571.331.9000110.5S51 E55 M56 M57S51-N53 PolarHBondContact O-N 3Å; N53-E55 PolarHBondContact O-N 2.89Å; N53-E55 VanDerWaalsContact O-N 3.17Å; N53-E55 WeakPolarHBondContact OD1-CB 3.44Å; N53-E55 PolarHBondContact OD1-N 3.42Å; N53-E55 VanDerWaalsContact OD1-N 3.1Å; N53-M56 PolarHBondContact O-N 3.19Å; N53-M56 WeakPolarHBondContact OD1-CG 3.49Å; N53-M56 PolarHBondContact OD1-N 2.98Å; N53-M57 PolarHBondContact O-N 3.37Å
54P97Very high96.4Very high21 Ų2149 Ų4914%0.13626%0.264CS..Hα-helixtrans-56.8-31.2-176.3-33.941.8000115.1K58 W121 Y122 Y125 E142P54-K58 WeakPolarHBondContact O-CB 3.37Å; P54-K58 PolarHBondContact O-N 2.98Å; P54-W121 HydrophobicContact CG-CH2 4.29Å; P54-Y122 HydrophobicContact CB-CE1 4.03Å; P54-Y122 HydrophobicContact CG-CE1 4.48Å; P54-Y122 PolarHBondContact O-OH 3.5Å; P54-Y125 HydrophobicContact CG-CD1 4.26Å; P54-Y125 HydrophobicContact CG-CE1 3.76Å; P54-E142 WeakPolarHBondContact CG-OE1 3.18Å
55E97.1Very high96.4Very high135 Ų13547 Ų4763%0.63125%0.253SS*.Hα-helixtrans-71.7-47.3177.8-174.7-177.2175.500111.2N53 M57 K58 N59N53-E55 PolarHBondContact O-N 2.89Å; N53-E55 VanDerWaalsContact O-N 3.17Å; N53-E55 WeakPolarHBondContact OD1-CB 3.44Å; N53-E55 PolarHBondContact OD1-N 3.42Å; N53-E55 VanDerWaalsContact OD1-N 3.1Å; E55-M57 VanDerWaalsContact C-N 3.31Å; E55-M57 PolarHBondContact O-N 3.39Å; E55-K58 PolarHBondContact O-N 2.93Å; E55-N59 WeakPolarHBondContact O-CB 3.31Å; E55-N59 VanDerWaalsContact O-CG 3.28Å; E55-N59 PolarHBondContact O-N 3.2Å; E55-N59 PolarHBondContact O-ND2 3.47Å
56M98.1Very high96.5Very high56 Ų5642.7 Ų42.728%0.27624%0.235SC..Hα-helixtrans-58.6-44.5175.2-68169.168.200111.4L46 N53 N59 A60L46-M56 HydrophobicContact CD2-CE 3.96Å; N53-M56 PolarHBondContact O-N 3.19Å; N53-M56 WeakPolarHBondContact OD1-CG 3.49Å; N53-M56 PolarHBondContact OD1-N 2.98Å; M56-N59 PolarHBondContact O-N 3.26Å; M56-A60 WeakPolarHBondContact O-CB 3.4Å; M56-A60 PolarHBondContact O-N 3Å; M56-A60 VanDerWaalsContact O-N 3.08Å
57M98.3Very high96.6Very high0 Ų043 Ų430%024%0.237CC..Hα-helixtrans-61.7-48.8177179.35360.300111.1L43 L46 F47 N53 E55 N59 A60 A61 V118 W121 Y122L43-M57 HydrophobicContact CD1-CE 4.35Å; L43-M57 HydrophobicContact CD1-SD 3.51Å; L43-M57 VanDerWaalsContact CD1-SD 3.51Å; L46-M57 HydrophobicContact CB-CE 3.92Å; F47-M57 HydrophobicContact CD1-CE 3.62Å; F47-M57 HydrophobicContact CD1-SD 4.4Å; F47-M57 HydrophobicContact CE1-CE 3.78Å; F47-M57 HydrophobicContact CE1-SD 3.95Å; N53-M57 PolarHBondContact O-N 3.37Å; E55-M57 VanDerWaalsContact C-N 3.31Å; E55-M57 PolarHBondContact O-N 3.39Å; M57-N59 PolarHBondContact O-N 3.01Å; M57-A60 PolarHBondContact O-N 3.13Å; M57-A61 WeakPolarHBondContact O-CB 3.27Å; M57-A61 PolarHBondContact O-N 2.94Å; M57-V118 HydrophobicContact CG-CG1 4.14Å; M57-V118 HydrophobicContact SD-CG1 4.18Å; M57-V118 HydrophobicContact SD-CG2 4.17Å; M57-W121 HydrophobicContact CB-CD2 4.33Å; M57-W121 HydrophobicContact CB-CE3 3.91Å; M57-W121 HydrophobicContact CB-CH2 3.74Å; M57-W121 HydrophobicContact CB-CZ2 4.11Å; M57-W121 HydrophobicContact CB-CZ3 3.61Å; M57-W121 HydrophobicContact CE-CB 4.31Å; M57-W121 HydrophobicContact CE-CD2 3.58Å; M57-W121 HydrophobicContact CE-CE3 4.17Å; M57-W121 HydrophobicContact CE-CG 3.62Å; M57-W121 HydrophobicContact CE-CZ2 4.42Å; M57-W121 HydrophobicContact CG-CD2 3.98Å; M57-W121 HydrophobicContact CG-CE3 3.54Å; M57-W121 HydrophobicContact CG-CH2 4.32Å; M57-W121 HydrophobicContact CG-CZ3 3.73Å; M57-W121 HydrophobicContact SD-CD2 4.44Å; M57-Y122 HydrophobicContact CG-CE2 4.19Å
58K97.7Very high96.7Very high105 Ų10542.4 Ų42.446%0.45723%0.234SC..Hα-helixtrans-58.9-47.8178.1176.4168.5171.748.50111.9P54 E55 A60 A61 D62P54-K58 WeakPolarHBondContact O-CB 3.37Å; P54-K58 PolarHBondContact O-N 2.98Å; E55-K58 PolarHBondContact O-N 2.93Å; K58-A60 PolarHBondContact O-N 3.37Å; K58-A61 PolarHBondContact O-N 3.02Å; K58-D62 WeakPolarHBondContact CE-OD2 3.28Å; K58-D62 WeakPolarHBondContact CG-OD2 3.49Å; K58-D62 IonicContact NZ-OD1 2.69Å; K58-D62 PolarHBondContact NZ-OD1 3.35Å; K58-D62 IonicContact NZ-OD2 3.88Å; K58-D62 PolarHBondContact NZ-OD2 2.91Å; K58-D62 WeakPolarHBondContact O-CB 3.4Å; K58-D62 VanDerWaalsContact O-CG 3.26Å; K58-D62 PolarHBondContact O-N 3.39Å
59N98.1Very high96.9Very high86 Ų8640.6 Ų40.646%0.4622%0.222SC..Hα-helixtrans-62.7-41.6-178.3-70.6-21.5000112.1E55 M56 M57 S63E55-N59 WeakPolarHBondContact O-CB 3.31Å; E55-N59 VanDerWaalsContact O-CG 3.28Å; E55-N59 PolarHBondContact O-N 3.2Å; E55-N59 PolarHBondContact O-ND2 3.47Å; M56-N59 PolarHBondContact O-N 3.26Å; M57-N59 PolarHBondContact O-N 3.01Å; N59-S63 WeakPolarHBondContact O-CB 3.42Å; N59-S63 PolarHBondContact O-N 2.96Å; N59-S63 PolarHBondContact O-OG 2.9Å
60A98.4Very high97.1Very high12 Ų1238.4 Ų38.410%0.09921%0.211CC..Hα-helixtrans-69.8-40.9176.600000112.4L43 L46 M56 M57 K58 S63 Y64L43-A60 HydrophobicContact CB-CB 4.48Å; L43-A60 HydrophobicContact CD1-CB 4.07Å; L46-A60 HydrophobicContact CD1-CB 3.43Å; L46-A60 VanDerWaalsContact CD1-CB 3.43Å; M56-A60 WeakPolarHBondContact O-CB 3.4Å; M56-A60 PolarHBondContact O-N 3Å; M56-A60 VanDerWaalsContact O-N 3.08Å; M57-A60 PolarHBondContact O-N 3.13Å; K58-A60 PolarHBondContact O-N 3.37Å; A60-S63 PolarHBondContact O-N 2.8Å; A60-Y64 PolarHBondContact O-N 3.08Å
61A98.3Very high97.3Very high6 Ų633.9 Ų33.95%0.0519%0.187CC..Hα-helixtrans-60.5-49.5174.800000111L43 M57 K58 S63 Y64 F65 V118L43-A61 HydrophobicContact CD1-CB 4.28Å; M57-A61 WeakPolarHBondContact O-CB 3.27Å; M57-A61 PolarHBondContact O-N 2.94Å; K58-A61 PolarHBondContact O-N 3.02Å; A61-S63 VanDerWaalsContact C-N 3.31Å; A61-S63 PolarHBondContact O-N 3.23Å; A61-Y64 PolarHBondContact O-N 2.91Å; A61-F65 HydrophobicContact CB-CD2 3.94Å; A61-F65 HydrophobicContact CB-CE2 3.74Å; A61-F65 WeakPolarHBondContact O-CB 3.26Å; A61-F65 WeakPolarHBondContact O-CD2 3.47Å; A61-F65 VanDerWaalsContact O-CG 3.28Å; A61-F65 WeakPolarHBondContact O-CG 3.4Å; A61-F65 PolarHBondContact O-N 3.29Å; A61-V118 HydrophobicContact CB-CG2 4.41Å
62D98.3Very high97.4Very high38 Ų3830.8 Ų30.820%0.20316%0.164CC..Hα-helixtrans-61.9-41.2179.7-71.4-14.3000111.5K58 Y64 S66 P359K58-D62 WeakPolarHBondContact CE-OD2 3.28Å; K58-D62 WeakPolarHBondContact CG-OD2 3.49Å; K58-D62 IonicContact NZ-OD1 2.69Å; K58-D62 PolarHBondContact NZ-OD1 3.35Å; K58-D62 IonicContact NZ-OD2 3.88Å; K58-D62 PolarHBondContact NZ-OD2 2.91Å; K58-D62 WeakPolarHBondContact O-CB 3.4Å; K58-D62 VanDerWaalsContact O-CG 3.26Å; K58-D62 PolarHBondContact O-N 3.39Å; D62-Y64 PolarHBondContact O-N 3.15Å; D62-S66 VanDerWaalsContact O-CB 3.22Å; D62-S66 WeakPolarHBondContact O-CB 3.12Å; D62-S66 PolarHBondContact O-N 3.03Å; D62-S66 PolarHBondContact O-OG 2.89Å; D62-P359 HydrophobicContact CB-CB 4.41Å; D62-P359 HydrophobicContact CB-CG 4.37Å
63S98.2Very high97.2Very high63 Ų6333.3 Ų33.344%0.44118%0.177SC..Hα-helixtrans-60.7-44.1176.6-61.30000112N59 A60 A61 S66 L67N59-S63 WeakPolarHBondContact O-CB 3.42Å; N59-S63 PolarHBondContact O-N 2.96Å; N59-S63 PolarHBondContact O-OG 2.9Å; A60-S63 PolarHBondContact O-N 2.8Å; A61-S63 VanDerWaalsContact C-N 3.31Å; A61-S63 PolarHBondContact O-N 3.23Å; S63-S66 PolarHBondContact O-OG 3.43Å; S63-L67 WeakPolarHBondContact O-CD1 3.4Å; S63-L67 WeakPolarHBondContact O-CG 3.32Å
64Y98.7Very high96.8Very high0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-74.8-47.5179.4178.1-120.9000112.4F18 L36 R40 L43 A60 A61 D62 S66 L67 L68 E110 M114F18-Y64 HydrophobicContact CZ-CE2 4.35Å; L36-Y64 HydrophobicContact CD2-CE2 4.26Å; R40-Y64 HydrophobicContact CB-CD2 3.75Å; R40-Y64 HydrophobicContact CB-CE2 3.49Å; R40-Y64 VanDerWaalsContact CB-CE2 3.49Å; R40-Y64 HydrophobicContact CG-CD2 4.32Å; R40-Y64 HydrophobicContact CG-CE1 4.3Å; R40-Y64 HydrophobicContact CG-CE2 3.77Å; L43-Y64 HydrophobicContact CD2-CD1 3.78Å; L43-Y64 HydrophobicContact CD2-CG 4.27Å; A60-Y64 PolarHBondContact O-N 3.08Å; A61-Y64 PolarHBondContact O-N 2.91Å; D62-Y64 PolarHBondContact O-N 3.15Å; Y64-S66 PolarHBondContact O-N 3.17Å; Y64-L67 PolarHBondContact O-N 3.03Å; Y64-L68 HydrophobicContact CE1-CD2 3.97Å; Y64-L68 HydrophobicContact CE2-CB 4.45Å; Y64-L68 WeakPolarHBondContact O-CB 3.28Å; Y64-L68 PolarHBondContact O-N 3.48Å; Y64-E110 WeakPolarHBondContact OH-CG 3.39Å; Y64-E110 PolarHBondContact OH-OE1 3.45Å; Y64-M114 HydrophobicContact CD1-CE 4.46Å; Y64-M114 HydrophobicContact CD1-CG 4Å; Y64-M114 HydrophobicContact CE1-CB 4.27Å; Y64-M114 HydrophobicContact CE1-CE 3.95Å; Y64-M114 HydrophobicContact CE1-CG 3.84Å
65F98.5Very high96.1Very high2 Ų233.7 Ų33.71%0.00918%0.18CC..Hα-helixtrans-68.7-34.6-174.8-65.8-43.3000113.1L43 A61 L67 L68 Q69 L111 M114 V118 F358 P359L43-F65 HydrophobicContact CD2-CZ 4.48Å; A61-F65 HydrophobicContact CB-CD2 3.94Å; A61-F65 HydrophobicContact CB-CE2 3.74Å; A61-F65 WeakPolarHBondContact O-CB 3.26Å; A61-F65 WeakPolarHBondContact O-CD2 3.47Å; A61-F65 VanDerWaalsContact O-CG 3.28Å; A61-F65 WeakPolarHBondContact O-CG 3.4Å; A61-F65 PolarHBondContact O-N 3.29Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 2.8Å; F65-L68 PolarHBondContact O-N 3.39Å; F65-Q69 WeakPolarHBondContact O-CB 3.38Å; F65-Q69 WeakPolarHBondContact O-CG 3.47Å; F65-Q69 PolarHBondContact O-N 2.9Å; F65-Q69 PolarHBondContact O-NE2 3.48Å; F65-L111 HydrophobicContact CB-CD1 4.44Å; F65-L111 HydrophobicContact CD1-CD1 3.53Å; F65-L111 HydrophobicContact CE1-CD1 4.06Å; F65-L111 HydrophobicContact CG-CD1 4.2Å; F65-M114 HydrophobicContact CE1-CB 3.9Å; F65-M114 HydrophobicContact CE1-CG 3.72Å; F65-M114 HydrophobicContact CZ-CB 4.27Å; F65-M114 HydrophobicContact CZ-CG 3.85Å; F65-V118 HydrophobicContact CE2-CG2 4.17Å; F65-V118 HydrophobicContact CZ-CG2 4.06Å; F65-F358 HydrophobicContact CB-CD1 3.97Å; F65-F358 HydrophobicContact CD1-CD1 4.27Å; F65-F358 HydrophobicContact CD1-CE1 4.01Å; F65-F358 AromaticContact CD2-CD1 3.67Å; F65-F358 HydrophobicContact CD2-CD1 3.67Å; F65-F358 AromaticContact CD2-CE1 3.72Å; F65-F358 HydrophobicContact CD2-CE1 3.72Å; F65-F358 HydrophobicContact CE1-CE1 4.07Å; F65-F358 HydrophobicContact CE2-CD1 4.2Å; F65-F358 AromaticContact CE2-CE1 3.78Å; F65-F358 HydrophobicContact CE2-CE1 3.78Å; F65-F358 AromaticContact CG-CD1 3.73Å; F65-F358 HydrophobicContact CG-CD1 3.73Å; F65-F358 AromaticContact CG-CE1 3.86Å; F65-F358 HydrophobicContact CG-CE1 3.86Å; F65-F358 AromaticContact CZ-CE1 3.97Å; F65-F358 HydrophobicContact CZ-CE1 3.97Å; F65-P359 HydrophobicContact CB-CG 3.88Å
66S97.9Very high95.1Very high20 Ų2032.5 Ų32.514%0.1418%0.178CC..Hα-helixtrans-63.5-35.7174.160.50000111.8D62 S63 Y64 P360 S362D62-S66 VanDerWaalsContact O-CB 3.22Å; D62-S66 WeakPolarHBondContact O-CB 3.12Å; D62-S66 PolarHBondContact O-N 3.03Å; D62-S66 PolarHBondContact O-OG 2.89Å; S63-S66 PolarHBondContact O-OG 3.43Å; Y64-S66 PolarHBondContact O-N 3.17Å; S66-P360 WeakPolarHBondContact CA-O 3.33Å; S66-P360 VanDerWaalsContact CB-O 3.25Å; S66-P360 WeakPolarHBondContact CB-O 3.46Å; S66-S362 WeakPolarHBondContact O-CB 3.31Å; S66-S362 PolarHBondContact O-N 3.39Å
67L98.1Very high93.4Very high10 Ų1038.9 Ų38.95%0.05221%0.207CC..Hα-helixtrans-75-45.6175-64.8173.1000112.2D35 L36 S63 Y64 F65 Q69 G70 W365D35-L67 HydrophobicContact CB-CD1 3.93Å; L36-L67 HydrophobicContact CD2-CB 3.54Å; L36-L67 HydrophobicContact CG-CB 4.06Å; S63-L67 WeakPolarHBondContact O-CD1 3.4Å; S63-L67 WeakPolarHBondContact O-CG 3.32Å; Y64-L67 PolarHBondContact O-N 3.03Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 2.8Å; L67-Q69 PolarHBondContact O-N 3.42Å; L67-G70 PolarHBondContact O-N 3.4Å; L67-W365 PolarHBondContact O-NE1 3.28Å
68L98Very high91.7Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-61.1-33-179.2-17963.1000111.8Y64 F65 G70 F71 I72 A107 E110 L111Y64-L68 HydrophobicContact CE1-CD2 3.97Å; Y64-L68 HydrophobicContact CE2-CB 4.45Å; Y64-L68 WeakPolarHBondContact O-CB 3.28Å; Y64-L68 PolarHBondContact O-N 3.48Å; F65-L68 PolarHBondContact O-N 3.39Å; L68-G70 PolarHBondContact O-N 2.64Å; L68-F71 HydrophobicContact CD1-CD2 4.27Å; L68-F71 WeakPolarHBondContact O-CB 3.4Å; L68-F71 PolarHBondContact O-N 3.42Å; L68-I72 HydrophobicContact CG-CD1 4.47Å; L68-A107 HydrophobicContact CD1-CB 4.36Å; L68-E110 HydrophobicContact CD1-CG 4.27Å; L68-E110 HydrophobicContact CD2-CB 4.22Å; L68-E110 HydrophobicContact CD2-CG 3.72Å; L68-L111 HydrophobicContact CD2-CB 3.92Å; L68-L111 HydrophobicContact CD2-CD1 4.1Å
69Q95.9Very high90Very high16 Ų1643.1 Ų43.18%0.07524%0.244CC..G310 helixtrans-63.2-20.9179.3-85.4175.197.700114.7F65 L67 F71 I72 N73 P359F65-Q69 WeakPolarHBondContact O-CB 3.38Å; F65-Q69 WeakPolarHBondContact O-CG 3.47Å; F65-Q69 PolarHBondContact O-N 2.9Å; F65-Q69 PolarHBondContact O-NE2 3.48Å; L67-Q69 PolarHBondContact O-N 3.42Å; Q69-F71 PolarHBondContact O-N 3.22Å; Q69-I72 PolarHBondContact O-N 3.35Å; Q69-N73 PolarHBondContact O-N 2.88Å; Q69-N73 PolarHBondContact OE1-ND2 3.36Å; Q69-N73 VanDerWaalsContact OE1-ND2 3.13Å; Q69-P359 PolarHBondContact NE2-O 3.21Å; Q69-P359 PolarHBondContact OE1-O 3.11Å
70G95.6Very high88.8Confident1 Ų145.7 Ų45.71%0.0125%0.253CS..G310 helixtrans-67.6-15.4170.400000113.6L67 L68 I72 S82L67-G70 PolarHBondContact O-N 3.4Å; L68-G70 PolarHBondContact O-N 2.64Å; G70-I72 VanDerWaalsContact C-N 3.32Å; G70-S82 WeakPolarHBondContact O-CB 3.48Å; G70-S82 PolarHBondContact O-OG 3.03Å
71F95.8Very high88.2Confident0 Ų049.5 Ų49.50%027%0.269CS..G310 helixtrans-82.7-8.4167.7-69.76.4000113.1F18 Y20 L36 L68 Q69 S82 L84 R85 I87 A107 W365F18-F71 HydrophobicContact CD1-CE2 4.09Å; F18-F71 HydrophobicContact CD1-CZ 4.24Å; F18-F71 HydrophobicContact CE1-CE2 4.04Å; Y20-F71 HydrophobicContact CE2-CZ 4.05Å; Y20-F71 AromaticContact CZ-CZ 4Å; Y20-F71 WeakPolarHBondContact OH-CE2 3.44Å; Y20-F71 WeakPolarHBondContact OH-CZ 3.4Å; L36-F71 HydrophobicContact CD1-CE1 3.88Å; L36-F71 HydrophobicContact CD1-CE2 4.34Å; L36-F71 HydrophobicContact CD1-CZ 3.6Å; L68-F71 HydrophobicContact CD1-CD2 4.27Å; L68-F71 WeakPolarHBondContact O-CB 3.4Å; L68-F71 PolarHBondContact O-N 3.42Å; Q69-F71 PolarHBondContact O-N 3.22Å; F71-S82 VanDerWaalsContact C-CB 3.41Å; F71-S82 WeakPolarHBondContact O-CB 3.26Å; F71-L84 HydrophobicContact CB-CB 4.28Å; F71-L84 HydrophobicContact CD1-CB 3.8Å; F71-L84 HydrophobicContact CD1-CD1 3.73Å; F71-L84 HydrophobicContact CD1-CG 4.43Å; F71-L84 HydrophobicContact CE1-CB 4.39Å; F71-L84 HydrophobicContact CE1-CD1 3.81Å; F71-L84 HydrophobicContact CG-CB 4.07Å; F71-R85 WeakPolarHBondContact O-CA 3.45Å; F71-R85 WeakPolarHBondContact O-CB 3.38Å; F71-R85 PolarHBondContact O-N 3.45Å; F71-I87 HydrophobicContact CD2-CG2 4.22Å; F71-I87 HydrophobicContact CE2-CG2 3.98Å; F71-I87 HydrophobicContact CZ-CG2 4.34Å; F71-A107 HydrophobicContact CB-CB 3.66Å; F71-A107 HydrophobicContact CD2-CB 4.26Å; F71-W365 AromaticContact CD1-CH2 3.86Å; F71-W365 HydrophobicContact CD1-CH2 3.86Å; F71-W365 AromaticContact CD1-CZ2 3.71Å; F71-W365 HydrophobicContact CD1-CZ2 3.71Å; F71-W365 AromaticContact CE1-CH2 3.64Å; F71-W365 HydrophobicContact CE1-CH2 3.64Å; F71-W365 AromaticContact CE1-CZ2 3.63Å; F71-W365 HydrophobicContact CE1-CZ2 3.63Å
72I94.4Very high87.9Confident15 Ų1549.5 Ų49.58%0.07727%0.268CS..THydrogen-bonded Turntrans-118.6-56-170.4-57.9169.7000110.3L68 Q69 G70 S82 A107 V108 L111L68-I72 HydrophobicContact CG-CD1 4.47Å; Q69-I72 PolarHBondContact O-N 3.35Å; G70-I72 VanDerWaalsContact C-N 3.32Å; I72-S82 PolarHBondContact O-N 3.2Å; I72-A107 HydrophobicContact CD1-CB 4.34Å; I72-A107 HydrophobicContact CG1-CB 3.81Å; I72-V108 HydrophobicContact CD1-CG2 4.28Å; I72-V108 HydrophobicContact CG1-CG2 4.18Å; I72-V108 HydrophobicContact CG2-CG2 3.76Å; I72-L111 HydrophobicContact CD1-CB 3.84Å; I72-L111 HydrophobicContact CD1-CD2 3.69Å; I72-L111 HydrophobicContact CD1-CG 4.26Å
73N92.4Very high87.6Confident55 Ų5552.3 Ų52.329%0.29428%0.279SS..BIsolated β-bridgetrans-86.7144-174-57.5-23.5000110.6Q69 T361Q69-N73 PolarHBondContact O-N 2.88Å; Q69-N73 PolarHBondContact OE1-ND2 3.36Å; Q69-N73 VanDerWaalsContact OE1-ND2 3.13Å; N73-T361 PolarHBondContact ND2-OG1 3.47Å
74S87.6Confident87.4Confident32 Ų3249.3 Ų49.322%0.22426%0.258CS..  trans-69.7153.9165.8-169.20000111.2D76 Q80S74-D76 WeakPolarHBondContact CB-OD1 3.36Å; S74-D76 PolarHBondContact OG-OD1 3.15Å; S74-Q80 VanDerWaalsContact CB-O 3.28Å; S74-Q80 WeakPolarHBondContact CB-O 3.31Å
75L82.3Confident87.2Confident56 Ų5650.3 Ų50.329%0.29326%0.262SS..SBendtrans-84.3-17.1177.5-57.2-179.4000113.2T361 W365 L370L75-T361 HydrophobicContact CD2-CG2 4.17Å; L75-W365 HydrophobicContact CD1-CB 4.46Å; L75-W365 HydrophobicContact CD2-CB 3.69Å; L75-L370 HydrophobicContact CD1-CB 4.02Å; L75-L370 HydrophobicContact CD1-CD2 3.86Å; L75-L370 HydrophobicContact CG-CD2 4.19Å
76D75.9Confident87Confident110 Ų11053.5 Ų53.559%0.58827%0.274SS*.SBendtrans-102.312.4-17666.5-6.5000113.6S74 S78S74-D76 WeakPolarHBondContact CB-OD1 3.36Å; S74-D76 PolarHBondContact OG-OD1 3.15Å; D76-S78 PolarHBondContact O-N 3.26Å; D76-S78 VanDerWaalsContact OD1-CB 3.24Å; D76-S78 WeakPolarHBondContact OD1-CB 3.49Å; D76-S78 PolarHBondContact OD1-N 2.72Å; D76-S78 VanDerWaalsContact OD1-N 3.11Å; D76-S78 PolarHBondContact OD1-OG 3.26Å
77E63.4Low86.8Confident189 Ų18953.3 Ų53.388%0.88327%0.272SS*.  trans52.816.9-174.6-59.4-135168.500115
78S62.5Low86.6Confident39 Ų3954.6 Ų54.627%0.27328%0.277SS..  trans-65.2156167.867.40000109.9D76 Q80D76-S78 PolarHBondContact O-N 3.26Å; D76-S78 VanDerWaalsContact OD1-CB 3.24Å; D76-S78 WeakPolarHBondContact OD1-CB 3.49Å; D76-S78 PolarHBondContact OD1-N 2.72Å; D76-S78 VanDerWaalsContact OD1-N 3.11Å; D76-S78 PolarHBondContact OD1-OG 3.26Å; S78-Q80 PolarHBondContact O-N 2.99Å; S78-Q80 WeakPolarHBondContact OG-CB 3.44Å
79T62Low86.4Confident156 Ų15658.2 Ų58.296%0.95730%0.296SS*.SBendtrans-65.76.8173.947.10000113.5
80Q71.9Confident86.4Confident140 Ų14057.5 Ų57.565%0.65429%0.293SS*.PPolyproline II helixtrans-83145.7179.7-58-172.95.700110.8S74 S78S74-Q80 VanDerWaalsContact CB-O 3.28Å; S74-Q80 WeakPolarHBondContact CB-O 3.31Å; S78-Q80 PolarHBondContact O-N 2.99Å; S78-Q80 WeakPolarHBondContact OG-CB 3.44Å
81E86.1Confident86.4Confident92 Ų9259.6 Ų59.643%0.4330%0.302SS..BIsolated β-bridgetrans-82.9154.6172.259.4-178.9-16900111.1K83 R85 Y86E81-K83 PolarHBondContact O-N 2.99Å; E81-R85 WeakPolarHBondContact OE2-CD 3.45Å; E81-R85 IonicContact OE2-CZ 3.72Å; E81-R85 IonicContact OE2-NE 2.95Å; E81-R85 IonicContact OE2-NH1 2.81Å; E81-R85 PolarHBondContact OE2-NH1 3.31Å; E81-Y86 WeakPolarHBondContact OE1-CE2 3.07Å; E81-Y86 PolarHBondContact OE1-OH 3.33Å; E81-Y86 VanDerWaalsContact OE1-OH 3.08Å; E81-Y86 PolarHBondContact OE2-OH 3.18Å
82S91.5Very high86.5Confident5 Ų559.7 Ų59.74%0.03530%0.302CS..PPolyproline II helixtrans-61.1135174.2174.20000110.7G70 F71 I72 L84 R85G70-S82 WeakPolarHBondContact O-CB 3.48Å; G70-S82 PolarHBondContact O-OG 3.03Å; F71-S82 VanDerWaalsContact C-CB 3.41Å; F71-S82 WeakPolarHBondContact O-CB 3.26Å; I72-S82 PolarHBondContact O-N 3.2Å; S82-L84 PolarHBondContact O-N 3.38Å; S82-L84 PolarHBondContact OG-N 3.2Å; S82-R85 WeakPolarHBondContact O-CB 3.38Å; S82-R85 PolarHBondContact O-N 2.86Å; S82-R85 VanDerWaalsContact O-N 3.08Å
83K91.9Very high86.6Confident97 Ų9759.3 Ų59.342%0.42230%0.301SS..THydrogen-bonded Turntrans-56.2-17.8174.769.4176.3178.9177.20113.5E81 L370 F373 L375E81-K83 PolarHBondContact O-N 2.99Å; K83-L370 WeakPolarHBondContact CE-O 3.28Å; K83-L370 PolarHBondContact NZ-O 3.42Å; K83-F373 WeakPolarHBondContact CE-O 3.4Å; K83-F373 PolarHBondContact NZ-O 3.26Å; K83-L375 HydrophobicContact CB-CD1 4.15Å; K83-L375 HydrophobicContact CD-CD1 4.36Å; K83-L375 HydrophobicContact CG-CD1 4.25Å; K83-L375 VanDerWaalsContact O-CD1 3.31Å; K83-L375 WeakPolarHBondContact O-CD1 3.36Å
84L94.3Very high86.7Confident0 Ų057 Ų570%029%0.289CS..THydrogen-bonded Turntrans-88.7-3.9-177.3-58-177.5000113.9F71 S82 Y86 I87 W365 L370 F373 L375F71-L84 HydrophobicContact CB-CB 4.28Å; F71-L84 HydrophobicContact CD1-CB 3.8Å; F71-L84 HydrophobicContact CD1-CD1 3.73Å; F71-L84 HydrophobicContact CD1-CG 4.43Å; F71-L84 HydrophobicContact CE1-CB 4.39Å; F71-L84 HydrophobicContact CE1-CD1 3.81Å; F71-L84 HydrophobicContact CG-CB 4.07Å; S82-L84 PolarHBondContact O-N 3.38Å; S82-L84 PolarHBondContact OG-N 3.2Å; L84-Y86 PolarHBondContact O-N 2.94Å; L84-Y86 VanDerWaalsContact O-N 3.08Å; L84-I87 HydrophobicContact CB-CG2 4.29Å; L84-I87 HydrophobicContact CD2-CD1 3.99Å; L84-I87 WeakPolarHBondContact O-CB 3.41Å; L84-I87 WeakPolarHBondContact O-CG2 3.3Å; L84-I87 PolarHBondContact O-N 3.37Å; L84-W365 HydrophobicContact CD1-CH2 3.65Å; L84-W365 HydrophobicContact CD1-CZ3 3.92Å; L84-L370 HydrophobicContact CD1-CD1 3.65Å; L84-L370 HydrophobicContact CG-CD1 3.99Å; L84-F373 HydrophobicContact CD1-CB 4.33Å; L84-F373 HydrophobicContact CD1-CD1 4.01Å; L84-F373 HydrophobicContact CD1-CD2 4Å; L84-F373 HydrophobicContact CD1-CE1 4.3Å; L84-F373 HydrophobicContact CD1-CE2 4.3Å; L84-F373 HydrophobicContact CD1-CG 3.86Å; L84-F373 HydrophobicContact CD1-CZ 4.45Å; L84-F373 HydrophobicContact CD2-CB 3.69Å; L84-F373 HydrophobicContact CD2-CD1 4.07Å; L84-F373 HydrophobicContact CD2-CG 3.98Å; L84-L375 HydrophobicContact CD2-CD2 4.04Å
85R94.6Very high87.1Confident21 Ų2155.5 Ų55.58%0.07928%0.278CS..THydrogen-bonded Turntrans-50.2-41.9-175.1-177.3174.5172.2-177.8-2.6113.9F71 E81 S82 D106 A107 K164F71-R85 WeakPolarHBondContact O-CA 3.45Å; F71-R85 WeakPolarHBondContact O-CB 3.38Å; F71-R85 PolarHBondContact O-N 3.45Å; E81-R85 WeakPolarHBondContact OE2-CD 3.45Å; E81-R85 IonicContact OE2-CZ 3.72Å; E81-R85 IonicContact OE2-NE 2.95Å; E81-R85 IonicContact OE2-NH1 2.81Å; E81-R85 PolarHBondContact OE2-NH1 3.31Å; S82-R85 WeakPolarHBondContact O-CB 3.38Å; S82-R85 PolarHBondContact O-N 2.86Å; S82-R85 VanDerWaalsContact O-N 3.08Å; R85-D106 WeakPolarHBondContact CG-OD1 3.49Å; R85-D106 IonicContact CZ-OD1 3.26Å; R85-D106 IonicContact CZ-OD2 3.68Å; R85-D106 IonicContact NE-OD1 2.88Å; R85-D106 PolarHBondContact NE-OD1 3.33Å; R85-D106 IonicContact NE-OD2 3.68Å; R85-D106 PolarHBondContact NE-OD2 3.4Å; R85-D106 IonicContact NH2-OD1 3.46Å; R85-D106 IonicContact NH2-OD2 3.98Å; R85-D106 PolarHBondContact NH2-OD2 3.5Å; R85-A107 PolarHBondContact O-N 3.34Å; R85-K164 PolarHBondContact NH2-O 3.11Å
86Y94.1Very high87.7Confident69 Ų6953.2 Ų53.227%0.27127%0.266SS..THydrogen-bonded Turntrans-105.327.9-177.4-42.4-76000112.7E81 L84 Q105 D106 I166 R378E81-Y86 WeakPolarHBondContact OE1-CE2 3.07Å; E81-Y86 PolarHBondContact OE1-OH 3.33Å; E81-Y86 VanDerWaalsContact OE1-OH 3.08Å; E81-Y86 PolarHBondContact OE2-OH 3.18Å; L84-Y86 PolarHBondContact O-N 2.94Å; L84-Y86 VanDerWaalsContact O-N 3.08Å; Y86-Q105 WeakPolarHBondContact CA-O 3.47Å; Y86-Q105 VanDerWaalsContact CD1-O 3.31Å; Y86-Q105 WeakPolarHBondContact CD1-O 3.33Å; Y86-Q105 PolarHBondContact O-NE2 3.34Å; Y86-D106 HydrophobicContact CD1-CB 4.41Å; Y86-I166 HydrophobicContact CE1-CD1 3.85Å; Y86-I166 WeakPolarHBondContact OH-CD1 3.26Å; Y86-R378 PolarHBondContact O-NH2 3.22Å
87I93.8Very high88.5Confident17 Ų1750.2 Ų50.29%0.08725%0.249CC..SBendtrans-80.5-29.6178.6-161175.7000113.5Y20 V23 F71 L84 F373 L375Y20-I87 HydrophobicContact CD1-CD1 3.77Å; Y20-I87 HydrophobicContact CD1-CG1 3.84Å; Y20-I87 HydrophobicContact CD2-CD1 4.03Å; Y20-I87 HydrophobicContact CE1-CB 4.47Å; Y20-I87 HydrophobicContact CE1-CD1 4.01Å; Y20-I87 HydrophobicContact CE1-CG1 3.89Å; Y20-I87 HydrophobicContact CE1-CG2 3.91Å; Y20-I87 HydrophobicContact CE2-CD1 4.24Å; Y20-I87 HydrophobicContact CG-CD1 3.77Å; Y20-I87 HydrophobicContact CG-CG1 4.35Å; V23-I87 HydrophobicContact CG1-CD1 3.97Å; F71-I87 HydrophobicContact CD2-CG2 4.22Å; F71-I87 HydrophobicContact CE2-CG2 3.98Å; F71-I87 HydrophobicContact CZ-CG2 4.34Å; L84-I87 HydrophobicContact CB-CG2 4.29Å; L84-I87 HydrophobicContact CD2-CD1 3.99Å; L84-I87 WeakPolarHBondContact O-CB 3.41Å; L84-I87 WeakPolarHBondContact O-CG2 3.3Å; L84-I87 PolarHBondContact O-N 3.37Å; I87-F373 HydrophobicContact CD1-CD1 4.5Å; I87-L375 HydrophobicContact CD1-CD2 3.77Å; I87-L375 HydrophobicContact CG1-CD2 4.1Å
88Q93.7Very high89.6Confident37 Ų3743.4 Ų43.417%0.17323%0.229CC..SBendtrans-123.6134.6-170.4179.660.264.300110.8V16 Y20 F90 Q105V16-Q88 HydrophobicContact CG1-CG 3.9Å; Y20-Q88 HydrophobicContact CE1-CB 4.21Å; Q88-F90 HydrophobicContact CB-CD2 4.36Å; Q88-F90 HydrophobicContact CB-CE1 4.48Å; Q88-F90 HydrophobicContact CB-CE2 3.62Å; Q88-F90 HydrophobicContact CB-CZ 3.69Å; Q88-F90 HydrophobicContact CG-CD1 4.15Å; Q88-F90 HydrophobicContact CG-CD2 4.11Å; Q88-F90 HydrophobicContact CG-CE1 3.63Å; Q88-F90 HydrophobicContact CG-CE2 3.58Å; Q88-F90 HydrophobicContact CG-CG 4.38Å; Q88-F90 HydrophobicContact CG-CZ 3.32Å; Q88-F90 WeakPolarHBondContact O-CD2 3.42Å; Q88-Q105 WeakPolarHBondContact O-CA 3.47Å
89N94.4Very high90.9Very high75 Ų7547.7 Ų47.740%0.40124%0.244SC..  trans-86.4129.1169.3-17027.6000110.3Q104 Q105N89-Q104 PolarHBondContact OD1-O 3.38Å; N89-Q105 HydrophobicContact CB-CB 4.32Å; N89-Q105 HydrophobicContact CB-CG 4.43Å; N89-Q105 PolarHBondContact OD1-N 2.86Å
90F96.1Very high92.2Very high1 Ų144.3 Ų44.30%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-117.5139.4178.5-62-85000109.6V16 F18 Q88 A103 Q104 A107 F109 E110V16-F90 HydrophobicContact CG1-CE1 4.27Å; V16-F90 HydrophobicContact CG2-CD1 3.97Å; V16-F90 HydrophobicContact CG2-CE1 4.16Å; F18-F90 HydrophobicContact CE1-CE1 4.26Å; F18-F90 HydrophobicContact CE1-CZ 4.24Å; F18-F90 HydrophobicContact CZ-CE1 4.21Å; Q88-F90 HydrophobicContact CB-CD2 4.36Å; Q88-F90 HydrophobicContact CB-CE1 4.48Å; Q88-F90 HydrophobicContact CB-CE2 3.62Å; Q88-F90 HydrophobicContact CB-CZ 3.69Å; Q88-F90 HydrophobicContact CG-CD1 4.15Å; Q88-F90 HydrophobicContact CG-CD2 4.11Å; Q88-F90 HydrophobicContact CG-CE1 3.63Å; Q88-F90 HydrophobicContact CG-CE2 3.58Å; Q88-F90 HydrophobicContact CG-CG 4.38Å; Q88-F90 HydrophobicContact CG-CZ 3.32Å; Q88-F90 WeakPolarHBondContact O-CD2 3.42Å; F90-A103 CarbonylContact O-C 3.6Å; F90-A103 WeakPolarHBondContact O-CA 3.41Å; F90-A103 WeakPolarHBondContact O-CB 3.29Å; F90-Q104 PolarHBondContact N-O 3.25Å; F90-Q104 PolarHBondContact O-N 3.07Å; F90-A107 HydrophobicContact CE2-CB 4.47Å; F90-F109 HydrophobicContact CB-CD1 4.12Å; F90-F109 HydrophobicContact CB-CE1 4.37Å; F90-F109 WeakPolarHBondContact O-CE1 3.39Å; F90-E110 HydrophobicContact CB-CB 4.22Å; F90-E110 HydrophobicContact CD1-CB 3.75Å; F90-E110 VanDerWaalsContact CD1-CD 3.45Å; F90-E110 HydrophobicContact CD1-CG 3.67Å; F90-E110 WeakPolarHBondContact CD1-OE2 3.38Å; F90-E110 HydrophobicContact CD2-CB 3.68Å; F90-E110 HydrophobicContact CD2-CG 4.46Å; F90-E110 HydrophobicContact CE1-CB 3.91Å; F90-E110 HydrophobicContact CE1-CG 3.6Å; F90-E110 HydrophobicContact CE2-CB 3.83Å; F90-E110 HydrophobicContact CE2-CG 4.39Å; F90-E110 HydrophobicContact CG-CB 3.62Å; F90-E110 HydrophobicContact CG-CG 4.1Å; F90-E110 HydrophobicContact CZ-CB 3.93Å; F90-E110 HydrophobicContact CZ-CG 3.97Å
91K96.1Very high93.2Very high46 Ų4639.8 Ų39.820%0.221%0.206CC..EExtended strand (participates in β ladder)trans-127.8128.2-175.8-176.4-175.3-66.6-174.90109.7T13 A14 P101 S102 A103 V392T13-K91 WeakPolarHBondContact CA-O 3.41Å; T13-K91 WeakPolarHBondContact CB-O 3.27Å; T13-K91 PolarHBondContact OG1-O 3.25Å; A14-K91 HydrophobicContact CB-CB 4.05Å; A14-K91 PolarHBondContact N-O 3.44Å; A14-K91 VanDerWaalsContact N-O 3.14Å; K91-P101 HydrophobicContact CD-CB 3.92Å; K91-P101 HydrophobicContact CD-CG 3.89Å; K91-P101 HydrophobicContact CG-CB 3.63Å; K91-P101 HydrophobicContact CG-CG 4.16Å; K91-S102 CarbonylContact C-O 3.58Å; K91-S102 WeakPolarHBondContact CA-O 3.31Å; K91-A103 HydrophobicContact CB-CB 4Å; K91-A103 HydrophobicContact CG-CB 4.13Å; K91-V392 HydrophobicContact CD-CG2 3.47Å; K91-V392 VanDerWaalsContact CD-CG2 3.47Å; K91-V392 HydrophobicContact CG-CG2 3.89Å
92W97Very high93.5Very high1 Ų136.6 Ų36.60%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-136.4144.7-177.1-76.390.8000112.1K11 A12 T13 L44 P101 S102 F109 E110 M114 N117K11-W92 HydrophobicContact CB-CE3 3.57Å; K11-W92 HydrophobicContact CB-CZ3 3.85Å; A12-W92 CarbonylContact O-C 3.56Å; A12-W92 VanDerWaalsContact O-CA 3.27Å; A12-W92 WeakPolarHBondContact O-CA 3.28Å; T13-W92 VanDerWaalsContact CB-CD2 3.49Å; T13-W92 VanDerWaalsContact CB-CE2 3.5Å; T13-W92 HydrophobicContact CG2-CD2 4.5Å; T13-W92 HydrophobicContact CG2-CE3 4.38Å; T13-W92 HydrophobicContact CG2-CH2 3.73Å; T13-W92 HydrophobicContact CG2-CZ2 3.82Å; T13-W92 HydrophobicContact CG2-CZ3 4.01Å; L44-W92 HydrophobicContact CD2-CH2 4.03Å; W92-P101 CarbonylContact O-C 3.5Å; W92-P101 WeakPolarHBondContact O-CA 3.43Å; W92-S102 PolarHBondContact N-O 2.91Å; W92-S102 PolarHBondContact O-N 3.35Å; W92-F109 HydrophobicContact CB-CZ 4.34Å; W92-F109 AromaticContact CD1-CE1 3.8Å; W92-E110 PolarHBondContact NE1-OE2 3.22Å; W92-M114 HydrophobicContact CH2-CB 4.44Å; W92-M114 HydrophobicContact CH2-CE 3.74Å; W92-M114 HydrophobicContact CH2-SD 3.73Å; W92-M114 HydrophobicContact CZ2-CB 4.1Å; W92-M114 HydrophobicContact CZ2-CE 3.65Å; W92-M114 HydrophobicContact CZ2-SD 4.07Å; W92-N117 HydrophobicContact CZ3-CB 4.4Å
93T96.4Very high93.6Very high7 Ų738.4 Ų38.44%0.04321%0.21CC..  trans-82.6167.8162.767.10000110.6K11 A12 P101 V392K11-T93 WeakPolarHBondContact CB-O 3.27Å; K11-T93 WeakPolarHBondContact CE-O 3.37Å; K11-T93 PolarHBondContact NZ-O 2.99Å; A12-T93 HydrophobicContact CB-CG2 4.15Å; A12-T93 PolarHBondContact N-OG1 3.31Å; A12-T93 PolarHBondContact O-N 3.35Å; T93-P101 HydrophobicContact CG2-CB 4.28Å; T93-V392 HydrophobicContact CG2-CB 4.23Å; T93-V392 HydrophobicContact CG2-CG1 3.78Å
94D95.6Very high93.7Very high7 Ų734.8 Ų34.84%0.03719%0.194CC..  trans-123.6152179.5-61.4-89.7000111.9K11 L96 Q97 R173 D174K11-D94 IonicContact NZ-OD1 3.65Å; K11-D94 PolarHBondContact NZ-OD1 3.42Å; D94-L96 PolarHBondContact O-N 3.3Å; D94-L96 VanDerWaalsContact O-N 3.1Å; D94-Q97 HydrophobicContact CB-CB 4.11Å; D94-Q97 HydrophobicContact CB-CG 4.02Å; D94-Q97 PolarHBondContact O-N 2.92Å; D94-Q97 VanDerWaalsContact O-N 3.13Å; D94-R173 VanDerWaalsContact CG-CD 3.48Å; D94-R173 WeakPolarHBondContact OD2-CD 3.39Å; D94-R173 IonicContact OD2-CZ 3.37Å; D94-R173 IonicContact OD2-NE 2.67Å; D94-R173 IonicContact OD2-NH1 3.2Å; D94-R173 PolarHBondContact OD2-NH1 2.77Å; D94-D174 WeakPolarHBondContact CA-OD2 3.31Å; D94-D174 PolarHBondContact OD1-N 3.46Å
95T96.1Very high93.8Very high1 Ų139.3 Ų39.31%0.00622%0.215CC..THydrogen-bonded Turntrans-58.1-30.3-171.365.50000113.6N8 P9 K11 F116 L120 D174 Y183 P297N8-T95 HydrophobicContact CB-CG2 4.44Å; P9-T95 WeakPolarHBondContact CD-O 3.17Å; K11-T95 HydrophobicContact CG-CG2 4.35Å; T95-F116 HydrophobicContact CG2-CE1 4.13Å; T95-L120 HydrophobicContact CG2-CD1 3.56Å; T95-L120 HydrophobicContact CG2-CD2 4.23Å; T95-D174 VanDerWaalsContact CB-OD1 3.29Å; T95-D174 WeakPolarHBondContact CB-OD1 3.35Å; T95-D174 WeakPolarHBondContact CG2-OD1 3.41Å; T95-D174 WeakPolarHBondContact CG2-OD2 3.19Å; T95-D174 PolarHBondContact N-OD1 3.03Å; T95-D174 PolarHBondContact N-OD2 3.07Å; T95-D174 PolarHBondContact OG1-OD1 2.9Å; T95-Y183 WeakPolarHBondContact CB-OH 3.21Å; T95-Y183 WeakPolarHBondContact CG2-OH 3.27Å; T95-Y183 PolarHBondContact OG1-OH 2.96Å; T95-P297 WeakPolarHBondContact O-CB 3.46Å
96L93.8Very high93.8Very high7 Ų738.6 Ų38.64%0.03721%0.213CC..THydrogen-bonded Turntrans-103.1-14.4179.6-55.5-171.1000114.4D94 L179 Y234 W238 P297D94-L96 PolarHBondContact O-N 3.3Å; D94-L96 VanDerWaalsContact O-N 3.1Å; L96-L179 HydrophobicContact CD1-CD1 4.15Å; L96-L179 HydrophobicContact CD1-CD2 3.74Å; L96-L179 HydrophobicContact CD1-CG 4.04Å; L96-L179 HydrophobicContact CG-CD2 3.92Å; L96-Y234 HydrophobicContact CB-CD2 3.92Å; L96-Y234 HydrophobicContact CB-CG 4.43Å; L96-Y234 HydrophobicContact CD1-CD2 3.87Å; L96-Y234 HydrophobicContact CD1-CE2 4.32Å; L96-Y234 WeakPolarHBondContact O-CB 3.31Å; L96-W238 HydrophobicContact CD1-CE3 4.03Å; L96-W238 HydrophobicContact CD1-CZ3 4.19Å; L96-W238 HydrophobicContact CD2-CE3 3.97Å; L96-P297 HydrophobicContact CD2-CG 3.96Å
97Q92.2Very high93.9Very high48 Ų4835.3 Ų35.322%0.22420%0.2CC..SBendtrans-958.6-173.4-58.9-55.8-43.100113.8D94 Q99 V100 G172D94-Q97 HydrophobicContact CB-CB 4.11Å; D94-Q97 HydrophobicContact CB-CG 4.02Å; D94-Q97 PolarHBondContact O-N 2.92Å; D94-Q97 VanDerWaalsContact O-N 3.13Å; Q97-Q99 PolarHBondContact O-N 3.09Å; Q97-V100 PolarHBondContact O-N 2.89Å; Q97-G172 WeakPolarHBondContact CG-O 3.44Å; Q97-G172 PolarHBondContact NE2-O 3.36Å
98G88Confident94.1Very high45 Ų4534.6 Ų34.646%0.46420%0.196SC..THydrogen-bonded Turntrans60.6-119.3177.800000111.9
99Q88.3Confident94.2Very high129 Ų12933.3 Ų33.360%0.60319%0.19SC*.THydrogen-bonded Turntrans-96.71.9-174.7-52.7-172.3-2.900113.4Q97 P101 P394Q97-Q99 PolarHBondContact O-N 3.09Å; Q99-P101 WeakPolarHBondContact O-CD 3.45Å; Q99-P394 HydrophobicContact CG-CG 3.87Å
100V90.3Very high94.4Very high85 Ų8529.7 Ų29.752%0.51517%0.171SC..  trans-84.5107.3-177.8-176.50000109.2Q97 R173Q97-V100 PolarHBondContact O-N 2.89Å; V100-R173 PolarHBondContact O-NH1 3.01Å
101P93.3Very high94.4Very high45 Ų4529.8 Ų29.829%0.29217%0.171SC..  trans-77.5167.7179.134.2-34.9000112.1K91 W92 T93 Q99 R173 V392K91-P101 HydrophobicContact CD-CB 3.92Å; K91-P101 HydrophobicContact CD-CG 3.89Å; K91-P101 HydrophobicContact CG-CB 3.63Å; K91-P101 HydrophobicContact CG-CG 4.16Å; W92-P101 CarbonylContact O-C 3.5Å; W92-P101 WeakPolarHBondContact O-CA 3.43Å; T93-P101 HydrophobicContact CG2-CB 4.28Å; Q99-P101 WeakPolarHBondContact O-CD 3.45Å; P101-R173 PolarHBondContact O-NH2 2.74Å; P101-V392 HydrophobicContact CB-CB 4.48Å; P101-V392 HydrophobicContact CB-CG2 4.13Å; P101-V392 HydrophobicContact CG-CG2 4.31Å
102S92.8Very high94.5Very high25 Ų2527.6 Ų27.618%0.17516%0.162CC..EExtended strand (participates in β ladder)trans-127.3149.9162.9-176.80000108.6K91 W92K91-S102 CarbonylContact C-O 3.58Å; K91-S102 WeakPolarHBondContact CA-O 3.31Å; W92-S102 PolarHBondContact N-O 2.91Å; W92-S102 PolarHBondContact O-N 3.35Å
103A93.7Very high94.6Very high44 Ų4427.5 Ų27.536%0.36416%0.162SC..EExtended strand (participates in β ladder)trans-130.8140.5-178.900000111.6F90 K91F90-A103 CarbonylContact O-C 3.6Å; F90-A103 WeakPolarHBondContact O-CA 3.41Å; F90-A103 WeakPolarHBondContact O-CB 3.29Å; K91-A103 HydrophobicContact CB-CB 4Å; K91-A103 HydrophobicContact CG-CB 4.13Å
104Q93.6Very high94.7Very high20 Ų2027.2 Ų27.29%0.09316%0.16CC..EExtended strand (participates in β ladder)trans-138139.5170.3-59.1-168100110N89 F90 D106 F109 T167N89-Q104 PolarHBondContact OD1-O 3.38Å; F90-Q104 PolarHBondContact N-O 3.25Å; F90-Q104 PolarHBondContact O-N 3.07Å; Q104-D106 PolarHBondContact O-N 2.97Å; Q104-D106 VanDerWaalsContact O-N 3.08Å; Q104-F109 HydrophobicContact CB-CB 3.96Å; Q104-F109 HydrophobicContact CB-CD1 3.75Å; Q104-F109 HydrophobicContact CB-CD2 4.18Å; Q104-F109 HydrophobicContact CB-CE1 4.27Å; Q104-F109 HydrophobicContact CB-CG 3.7Å; Q104-F109 HydrophobicContact CG-CD1 4.27Å; Q104-F109 HydrophobicContact CG-CD2 3.93Å; Q104-F109 HydrophobicContact CG-CE1 4.47Å; Q104-F109 HydrophobicContact CG-CE2 4.17Å; Q104-F109 HydrophobicContact CG-CG 3.99Å; Q104-F109 HydrophobicContact CG-CZ 4.43Å; Q104-T167 PolarHBondContact NE2-O 3.02Å
105Q94.9Very high94.8Very high95 Ų9526.9 Ų26.944%0.44416%0.158SC..SBendtrans-85.361172.3-169.6172.9-31.500110.8Y86 Q88 N89Y86-Q105 WeakPolarHBondContact CA-O 3.47Å; Y86-Q105 VanDerWaalsContact CD1-O 3.31Å; Y86-Q105 WeakPolarHBondContact CD1-O 3.33Å; Y86-Q105 PolarHBondContact O-NE2 3.34Å; Q88-Q105 WeakPolarHBondContact O-CA 3.47Å; N89-Q105 HydrophobicContact CB-CB 4.32Å; N89-Q105 HydrophobicContact CB-CG 4.43Å; N89-Q105 PolarHBondContact OD1-N 2.86Å
106D95.5Very high94.9Very high7 Ų726.9 Ų26.94%0.03716%0.158CC..  trans-144.8124.2-178.6-172.3-12000110.1R85 Y86 Q104 V108 F109 E110R85-D106 WeakPolarHBondContact CG-OD1 3.49Å; R85-D106 IonicContact CZ-OD1 3.26Å; R85-D106 IonicContact CZ-OD2 3.68Å; R85-D106 IonicContact NE-OD1 2.88Å; R85-D106 PolarHBondContact NE-OD1 3.33Å; R85-D106 IonicContact NE-OD2 3.68Å; R85-D106 PolarHBondContact NE-OD2 3.4Å; R85-D106 IonicContact NH2-OD1 3.46Å; R85-D106 IonicContact NH2-OD2 3.98Å; R85-D106 PolarHBondContact NH2-OD2 3.5Å; Y86-D106 HydrophobicContact CD1-CB 4.41Å; Q104-D106 PolarHBondContact O-N 2.97Å; Q104-D106 VanDerWaalsContact O-N 3.08Å; D106-V108 PolarHBondContact O-N 2.67Å; D106-V108 WeakPolarHBondContact OD1-CB 3.49Å; D106-V108 PolarHBondContact OD1-N 3.49Å; D106-F109 HydrophobicContact CB-CB 4.14Å; D106-F109 WeakPolarHBondContact O-CB 3.35Å; D106-F109 PolarHBondContact O-N 2.9Å; D106-F109 VanDerWaalsContact O-N 3.14Å; D106-E110 PolarHBondContact O-N 3.21Å
107A96.8Very high95.1Very high0 Ų026.5 Ų26.50%016%0.156CC..Hα-helixtrans-65.5-25.717600000113.1L68 F71 I72 R85 F90 F109 E110 L111L68-A107 HydrophobicContact CD1-CB 4.36Å; F71-A107 HydrophobicContact CB-CB 3.66Å; F71-A107 HydrophobicContact CD2-CB 4.26Å; I72-A107 HydrophobicContact CD1-CB 4.34Å; I72-A107 HydrophobicContact CG1-CB 3.81Å; R85-A107 PolarHBondContact O-N 3.34Å; F90-A107 HydrophobicContact CE2-CB 4.47Å; A107-F109 VanDerWaalsContact C-N 3.31Å; A107-E110 PolarHBondContact O-N 2.99Å; A107-L111 PolarHBondContact O-N 2.89Å
108V96.6Very high95.4Very high1 Ų124.5 Ų24.51%0.00615%0.147CC..Hα-helixtrans-66.1-37.6172.41770000110.4I72 D106 E110 L111 I112 K164 L165I72-V108 HydrophobicContact CD1-CG2 4.28Å; I72-V108 HydrophobicContact CG1-CG2 4.18Å; I72-V108 HydrophobicContact CG2-CG2 3.76Å; D106-V108 PolarHBondContact O-N 2.67Å; D106-V108 WeakPolarHBondContact OD1-CB 3.49Å; D106-V108 PolarHBondContact OD1-N 3.49Å; V108-E110 VanDerWaalsContact C-N 3.34Å; V108-E110 PolarHBondContact O-N 3.27Å; V108-L111 PolarHBondContact O-N 3.29Å; V108-I112 HydrophobicContact CG1-CD1 3.75Å; V108-I112 HydrophobicContact CG1-CG1 4.32Å; V108-I112 VanDerWaalsContact O-CG1 3.26Å; V108-I112 WeakPolarHBondContact O-CG1 3.42Å; V108-I112 PolarHBondContact O-N 2.89Å; V108-K164 HydrophobicContact CG1-CB 4.3Å; V108-L165 HydrophobicContact CB-CD2 4.37Å; V108-L165 HydrophobicContact CG1-CD2 4.01Å
109F96.9Very high95.9Very high10 Ų1022.3 Ų22.34%0.04413%0.125CC..Hα-helixtrans-62.9-39.7174.6171.6-101.2000112F90 W92 Q104 D106 A107 S113 L165 L175F90-F109 HydrophobicContact CB-CD1 4.12Å; F90-F109 HydrophobicContact CB-CE1 4.37Å; F90-F109 WeakPolarHBondContact O-CE1 3.39Å; W92-F109 HydrophobicContact CB-CZ 4.34Å; W92-F109 AromaticContact CD1-CE1 3.8Å; Q104-F109 HydrophobicContact CB-CB 3.96Å; Q104-F109 HydrophobicContact CB-CD1 3.75Å; Q104-F109 HydrophobicContact CB-CD2 4.18Å; Q104-F109 HydrophobicContact CB-CE1 4.27Å; Q104-F109 HydrophobicContact CB-CG 3.7Å; Q104-F109 HydrophobicContact CG-CD1 4.27Å; Q104-F109 HydrophobicContact CG-CD2 3.93Å; Q104-F109 HydrophobicContact CG-CE1 4.47Å; Q104-F109 HydrophobicContact CG-CE2 4.17Å; Q104-F109 HydrophobicContact CG-CG 3.99Å; Q104-F109 HydrophobicContact CG-CZ 4.43Å; D106-F109 HydrophobicContact CB-CB 4.14Å; D106-F109 WeakPolarHBondContact O-CB 3.35Å; D106-F109 PolarHBondContact O-N 2.9Å; D106-F109 VanDerWaalsContact O-N 3.14Å; A107-F109 VanDerWaalsContact C-N 3.31Å; F109-S113 WeakPolarHBondContact O-CB 3.3Å; F109-S113 PolarHBondContact O-N 2.91Å; F109-S113 PolarHBondContact O-OG 3.49Å; F109-L165 HydrophobicContact CB-CD2 3.98Å; F109-L175 HydrophobicContact CD2-CD2 3.8Å; F109-L175 HydrophobicContact CE2-CD2 4.04Å
110E97.6Very high96.4Very high0 Ų016.3 Ų16.30%010%0.097CC..Hα-helixtrans-63.9-46.5172176.764.5-172.400112R40 Y64 L68 F90 W92 D106 A107 V108 I112 S113 M114R40-E110 IonicContact CZ-OE1 3.73Å; R40-E110 VanDerWaalsContact CZ-OE1 3.26Å; R40-E110 IonicContact NE-OE1 2.71Å; R40-E110 PolarHBondContact NE-OE1 3.23Å; R40-E110 IonicContact NH2-OE1 2.87Å; R40-E110 PolarHBondContact NH2-OE1 2.93Å; R40-E110 IonicContact NH2-OE2 2.8Å; R40-E110 PolarHBondContact NH2-OE2 2.86Å; Y64-E110 WeakPolarHBondContact OH-CG 3.39Å; Y64-E110 PolarHBondContact OH-OE1 3.45Å; L68-E110 HydrophobicContact CD1-CG 4.27Å; L68-E110 HydrophobicContact CD2-CB 4.22Å; L68-E110 HydrophobicContact CD2-CG 3.72Å; F90-E110 HydrophobicContact CB-CB 4.22Å; F90-E110 HydrophobicContact CD1-CB 3.75Å; F90-E110 VanDerWaalsContact CD1-CD 3.45Å; F90-E110 HydrophobicContact CD1-CG 3.67Å; F90-E110 WeakPolarHBondContact CD1-OE2 3.38Å; F90-E110 HydrophobicContact CD2-CB 3.68Å; F90-E110 HydrophobicContact CD2-CG 4.46Å; F90-E110 HydrophobicContact CE1-CB 3.91Å; F90-E110 HydrophobicContact CE1-CG 3.6Å; F90-E110 HydrophobicContact CE2-CB 3.83Å; F90-E110 HydrophobicContact CE2-CG 4.39Å; F90-E110 HydrophobicContact CG-CB 3.62Å; F90-E110 HydrophobicContact CG-CG 4.1Å; F90-E110 HydrophobicContact CZ-CB 3.93Å; F90-E110 HydrophobicContact CZ-CG 3.97Å; W92-E110 PolarHBondContact NE1-OE2 3.22Å; D106-E110 PolarHBondContact O-N 3.21Å; A107-E110 PolarHBondContact O-N 2.99Å; V108-E110 VanDerWaalsContact C-N 3.34Å; V108-E110 PolarHBondContact O-N 3.27Å; E110-I112 VanDerWaalsContact C-N 3.32Å; E110-I112 PolarHBondContact O-N 3.1Å; E110-S113 PolarHBondContact O-N 2.98Å; E110-M114 VanDerWaalsContact O-CB 3.26Å; E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 PolarHBondContact O-N 2.96Å; E110-M114 WeakPolarHBondContact OE1-CE 3.43Å
111L97.9Very high96.8Very high2 Ų212.8 Ų12.81%0.017%0.074CC..Hα-helixtrans-56.9-47.9-179.7-179.369000110.8F65 L68 I72 A107 V108 G115 F358F65-L111 HydrophobicContact CB-CD1 4.44Å; F65-L111 HydrophobicContact CD1-CD1 3.53Å; F65-L111 HydrophobicContact CE1-CD1 4.06Å; F65-L111 HydrophobicContact CG-CD1 4.2Å; L68-L111 HydrophobicContact CD2-CB 3.92Å; L68-L111 HydrophobicContact CD2-CD1 4.1Å; I72-L111 HydrophobicContact CD1-CB 3.84Å; I72-L111 HydrophobicContact CD1-CD2 3.69Å; I72-L111 HydrophobicContact CD1-CG 4.26Å; A107-L111 PolarHBondContact O-N 2.89Å; V108-L111 PolarHBondContact O-N 3.29Å; L111-G115 PolarHBondContact O-N 3.35Å; L111-F358 HydrophobicContact CD1-CD1 3.94Å; L111-F358 HydrophobicContact CD1-CD2 4.35Å; L111-F358 HydrophobicContact CD1-CE1 3.66Å; L111-F358 HydrophobicContact CD1-CE2 4.09Å; L111-F358 HydrophobicContact CD1-CG 4.26Å; L111-F358 HydrophobicContact CD1-CZ 3.73Å; L111-F358 HydrophobicContact CD2-CD2 4.13Å; L111-F358 HydrophobicContact CD2-CE2 3.88Å; L111-F358 HydrophobicContact CD2-CZ 4.28Å; L111-F358 HydrophobicContact CG-CD2 4.43Å; L111-F358 HydrophobicContact CG-CE1 4.22Å; L111-F358 HydrophobicContact CG-CE2 3.88Å; L111-F358 HydrophobicContact CG-CZ 3.75Å
112I97.4Very high97Very high0 Ų011.4 Ų11.40%06%0.063CC..Hα-helixtrans-68-46.9179.1-60164.6000110.5V108 E110 M114 G115 F116 L157 H161 L165 L175V108-I112 HydrophobicContact CG1-CD1 3.75Å; V108-I112 HydrophobicContact CG1-CG1 4.32Å; V108-I112 VanDerWaalsContact O-CG1 3.26Å; V108-I112 WeakPolarHBondContact O-CG1 3.42Å; V108-I112 PolarHBondContact O-N 2.89Å; E110-I112 VanDerWaalsContact C-N 3.32Å; E110-I112 PolarHBondContact O-N 3.1Å; I112-M114 PolarHBondContact O-N 3.47Å; I112-G115 PolarHBondContact O-N 3.3Å; I112-F116 VanDerWaalsContact O-CB 3.24Å; I112-F116 WeakPolarHBondContact O-CB 3.38Å; I112-F116 PolarHBondContact O-N 3.38Å; I112-L157 HydrophobicContact CB-CD2 4.33Å; I112-L157 HydrophobicContact CG1-CD2 4.25Å; I112-L157 HydrophobicContact CG2-CB 4.38Å; I112-L157 HydrophobicContact CG2-CD1 4.38Å; I112-L157 HydrophobicContact CG2-CD2 4.21Å; I112-H161 HydrophobicContact CD1-CB 3.76Å; I112-H161 HydrophobicContact CG1-CB 3.61Å; I112-L165 HydrophobicContact CD1-CD1 3.91Å; I112-L165 HydrophobicContact CD1-CD2 4.02Å; I112-L165 HydrophobicContact CD1-CG 3.87Å; I112-L175 HydrophobicContact CB-CD2 3.95Å; I112-L175 HydrophobicContact CG2-CD1 4.48Å; I112-L175 HydrophobicContact CG2-CD2 3.58Å; I112-L175 HydrophobicContact CG2-CG 3.69Å
113S97.9Very high97.3Very high0 Ų010.4 Ų10.40%06%0.056CC..Hα-helixtrans-64.4-42.1-176.4-63.40000112.6F109 E110 N117F109-S113 WeakPolarHBondContact O-CB 3.3Å; F109-S113 PolarHBondContact O-N 2.91Å; F109-S113 PolarHBondContact O-OG 3.49Å; E110-S113 PolarHBondContact O-N 2.98Å; S113-N117 PolarHBondContact O-N 2.94Å; S113-N117 VanDerWaalsContact O-N 3.15Å
114M98.5Very high97.4Very high0 Ų09.2 Ų9.20%04%0.043CC..Hα-helixtrans-69.7-44.5175.4-174.967.578.300111.2R40 L43 L44 F47 Y64 F65 W92 E110 I112 F116 N117 V118R40-M114 HydrophobicContact CG-CE 3.89Å; L43-M114 HydrophobicContact CD2-CE 4.49Å; L43-M114 HydrophobicContact CD2-CG 3.64Å; L43-M114 HydrophobicContact CD2-SD 3.75Å; L43-M114 HydrophobicContact CG-SD 4.17Å; L44-M114 HydrophobicContact CD1-CE 4.32Å; L44-M114 HydrophobicContact CD2-CE 3.93Å; L44-M114 HydrophobicContact CD2-SD 4.26Å; L44-M114 HydrophobicContact CG-CE 3.91Å; F47-M114 HydrophobicContact CE2-SD 3.6Å; F47-M114 HydrophobicContact CZ-SD 3.72Å; Y64-M114 HydrophobicContact CD1-CE 4.46Å; Y64-M114 HydrophobicContact CD1-CG 4Å; Y64-M114 HydrophobicContact CE1-CB 4.27Å; Y64-M114 HydrophobicContact CE1-CE 3.95Å; Y64-M114 HydrophobicContact CE1-CG 3.84Å; F65-M114 HydrophobicContact CE1-CB 3.9Å; F65-M114 HydrophobicContact CE1-CG 3.72Å; F65-M114 HydrophobicContact CZ-CB 4.27Å; F65-M114 HydrophobicContact CZ-CG 3.85Å; W92-M114 HydrophobicContact CH2-CB 4.44Å; W92-M114 HydrophobicContact CH2-CE 3.74Å; W92-M114 HydrophobicContact CH2-SD 3.73Å; W92-M114 HydrophobicContact CZ2-CB 4.1Å; W92-M114 HydrophobicContact CZ2-CE 3.65Å; W92-M114 HydrophobicContact CZ2-SD 4.07Å; E110-M114 VanDerWaalsContact O-CB 3.26Å; E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 PolarHBondContact O-N 2.96Å; E110-M114 WeakPolarHBondContact OE1-CE 3.43Å; I112-M114 PolarHBondContact O-N 3.47Å; M114-F116 VanDerWaalsContact C-N 3.27Å; M114-F116 PolarHBondContact O-N 2.94Å; M114-N117 WeakPolarHBondContact O-CA 3.36Å; M114-N117 WeakPolarHBondContact O-CB 3.37Å; M114-N117 PolarHBondContact O-N 3.47Å; M114-V118 WeakPolarHBondContact O-CG2 3.39Å; M114-V118 PolarHBondContact O-N 2.87Å
115G98.3Very high97.6Very high1 Ų19.8 Ų9.81%0.015%0.045CC..Hα-helixtrans-58.8-39.117500000112.6L111 I112 N117 V118 A119 I153L111-G115 PolarHBondContact O-N 3.35Å; I112-G115 PolarHBondContact O-N 3.3Å; G115-N117 VanDerWaalsContact C-N 3.3Å; G115-N117 PolarHBondContact O-N 2.9Å; G115-V118 WeakPolarHBondContact O-CB 3.16Å; G115-V118 PolarHBondContact O-N 3.4Å; G115-A119 PolarHBondContact O-N 3.47Å; G115-I153 WeakPolarHBondContact O-CG2 2.83Å
116F98.5Very high97.6Very high0 Ų05.3 Ų5.30%02%0.023CC..Hα-helixtrans-60.9-42.2173.8-162.6-73.4000110.7K11 T95 I112 M114 A119 L120 F154 L157 D174 I180 Y183K11-F116 HydrophobicContact CD-CB 4.32Å; K11-F116 HydrophobicContact CD-CD1 3.83Å; K11-F116 HydrophobicContact CD-CG 4.32Å; T95-F116 HydrophobicContact CG2-CE1 4.13Å; I112-F116 VanDerWaalsContact O-CB 3.24Å; I112-F116 WeakPolarHBondContact O-CB 3.38Å; I112-F116 PolarHBondContact O-N 3.38Å; M114-F116 VanDerWaalsContact C-N 3.27Å; M114-F116 PolarHBondContact O-N 2.94Å; F116-A119 WeakPolarHBondContact O-CB 3.43Å; F116-A119 PolarHBondContact O-N 2.93Å; F116-L120 HydrophobicContact CD1-CD1 3.75Å; F116-L120 HydrophobicContact CD1-CG 3.86Å; F116-L120 HydrophobicContact CE1-CD1 3.84Å; F116-L120 HydrophobicContact CE1-CD2 4.05Å; F116-L120 HydrophobicContact CE1-CG 3.88Å; F116-L120 WeakPolarHBondContact O-CG 3.42Å; F116-L120 PolarHBondContact O-N 2.94Å; F116-F154 AromaticContact CD1-CE1 3.68Å; F116-F154 HydrophobicContact CD1-CE1 3.68Å; F116-F154 HydrophobicContact CD1-CZ 4.46Å; F116-F154 AromaticContact CD2-CD1 3.85Å; F116-F154 HydrophobicContact CD2-CD1 3.85Å; F116-F154 AromaticContact CD2-CE1 3.7Å; F116-F154 HydrophobicContact CD2-CE1 3.7Å; F116-F154 AromaticContact CE1-CE1 3.6Å; F116-F154 HydrophobicContact CE1-CE1 3.6Å; F116-F154 HydrophobicContact CE1-CZ 4.22Å; F116-F154 AromaticContact CE2-CD1 3.79Å; F116-F154 HydrophobicContact CE2-CD1 3.79Å; F116-F154 AromaticContact CE2-CE1 3.62Å; F116-F154 HydrophobicContact CE2-CE1 3.62Å; F116-F154 HydrophobicContact CG-CD1 4.27Å; F116-F154 AromaticContact CG-CE1 3.72Å; F116-F154 HydrophobicContact CG-CE1 3.72Å; F116-F154 HydrophobicContact CZ-CD1 4.16Å; F116-F154 AromaticContact CZ-CE1 3.57Å; F116-F154 HydrophobicContact CZ-CE1 3.57Å; F116-F154 HydrophobicContact CZ-CZ 4.39Å; F116-L157 HydrophobicContact CB-CD1 4.16Å; F116-D174 HydrophobicContact CD1-CB 4.35Å; F116-D174 HydrophobicContact CD2-CB 4.31Å; F116-D174 HydrophobicContact CE1-CB 3.93Å; F116-D174 HydrophobicContact CE2-CB 3.87Å; F116-D174 WeakPolarHBondContact CE2-O 3.36Å; F116-D174 HydrophobicContact CZ-CB 3.67Å; F116-I180 HydrophobicContact CD2-CD1 4.26Å; F116-I180 HydrophobicContact CD2-CG1 4.49Å; F116-I180 HydrophobicContact CE2-CB 4.24Å; F116-I180 HydrophobicContact CE2-CD1 4.23Å; F116-I180 HydrophobicContact CE2-CG1 4.02Å; F116-Y183 HydrophobicContact CE1-CD2 4.2Å; F116-Y183 HydrophobicContact CE1-CE2 4.03Å; F116-Y183 HydrophobicContact CE2-CD2 4.4Å; F116-Y183 AromaticContact CZ-CD2 3.49Å; F116-Y183 HydrophobicContact CZ-CD2 3.49Å; F116-Y183 VanDerWaalsContact CZ-CD2 3.49Å; F116-Y183 AromaticContact CZ-CE2 3.64Å; F116-Y183 HydrophobicContact CZ-CE2 3.64Å; F116-Y183 HydrophobicContact CZ-CG 4.26Å
117N98.1Very high97.6Very high0 Ų05.9 Ų5.90%03%0.028CC..Hα-helixtrans-68.6-34.2177.8-141.331.9000112.7L10 K11 F47 W92 S113 M114 G115 L120 W121L10-N117 WeakPolarHBondContact CD2-OD1 3.23Å; K11-N117 PolarHBondContact N-OD1 3.38Å; K11-N117 PolarHBondContact O-ND2 3.25Å; F47-N117 WeakPolarHBondContact CD2-ND2 3.4Å; F47-N117 HydrophobicContact CE1-CB 4.48Å; F47-N117 HydrophobicContact CE2-CB 4.05Å; F47-N117 VanDerWaalsContact CE2-ND2 3.32Å; F47-N117 WeakPolarHBondContact CE2-ND2 3.47Å; F47-N117 HydrophobicContact CZ-CB 3.92Å; W92-N117 HydrophobicContact CZ3-CB 4.4Å; S113-N117 PolarHBondContact O-N 2.94Å; S113-N117 VanDerWaalsContact O-N 3.15Å; M114-N117 WeakPolarHBondContact O-CA 3.36Å; M114-N117 WeakPolarHBondContact O-CB 3.37Å; M114-N117 PolarHBondContact O-N 3.47Å; G115-N117 VanDerWaalsContact C-N 3.3Å; G115-N117 PolarHBondContact O-N 2.9Å; N117-L120 PolarHBondContact O-N 3.24Å; N117-W121 PolarHBondContact O-N 3.09Å
118V98.6Very high97.4Very high5 Ų59 Ų93%0.034%0.04CC..Hα-helixtrans-61-45.3169.8174.60000110.6L43 F47 M57 A61 F65 M114 G115 L120 W121 Y122 I153L43-V118 HydrophobicContact CD1-CG2 4.29Å; L43-V118 HydrophobicContact CD2-CG2 4.41Å; F47-V118 HydrophobicContact CE1-CB 4.48Å; F47-V118 HydrophobicContact CE1-CG2 3.88Å; F47-V118 HydrophobicContact CZ-CG2 3.91Å; M57-V118 HydrophobicContact CG-CG1 4.14Å; M57-V118 HydrophobicContact SD-CG1 4.18Å; M57-V118 HydrophobicContact SD-CG2 4.17Å; A61-V118 HydrophobicContact CB-CG2 4.41Å; F65-V118 HydrophobicContact CE2-CG2 4.17Å; F65-V118 HydrophobicContact CZ-CG2 4.06Å; M114-V118 WeakPolarHBondContact O-CG2 3.39Å; M114-V118 PolarHBondContact O-N 2.87Å; G115-V118 WeakPolarHBondContact O-CB 3.16Å; G115-V118 PolarHBondContact O-N 3.4Å; V118-L120 PolarHBondContact O-N 3.21Å; V118-W121 WeakPolarHBondContact O-CB 3.27Å; V118-W121 PolarHBondContact O-N 2.98Å; V118-Y122 HydrophobicContact CG1-CD2 4.03Å; V118-Y122 HydrophobicContact CG1-CE2 3.79Å; V118-Y122 VanDerWaalsContact O-CD2 3.28Å; V118-Y122 WeakPolarHBondContact O-CD2 3.46Å; V118-Y122 PolarHBondContact O-N 2.84Å; V118-I153 HydrophobicContact CG1-CD1 4.15Å
119A98.5Very high97.2Very high0 Ų09.2 Ų9.20%04%0.041CC..Hα-helixtrans-61.3-44.617500000111.8G115 F116 W121 Y122 T123 A150 I153 F154G115-A119 PolarHBondContact O-N 3.47Å; F116-A119 WeakPolarHBondContact O-CB 3.43Å; F116-A119 PolarHBondContact O-N 2.93Å; A119-W121 VanDerWaalsContact C-N 3.3Å; A119-W121 PolarHBondContact O-N 3.46Å; A119-Y122 WeakPolarHBondContact O-CB 3.32Å; A119-Y122 PolarHBondContact O-N 3.41Å; A119-Y122 VanDerWaalsContact O-N 3.15Å; A119-T123 WeakPolarHBondContact O-CG2 3.47Å; A119-T123 PolarHBondContact O-N 3.48Å; A119-A150 HydrophobicContact CB-CB 4.42Å; A119-A150 WeakPolarHBondContact O-CB 3.46Å; A119-I153 HydrophobicContact CB-CB 3.88Å; A119-I153 HydrophobicContact CB-CD1 4.3Å; A119-I153 HydrophobicContact CB-CG2 3.79Å; A119-F154 HydrophobicContact CB-CD1 3.89Å; A119-F154 HydrophobicContact CB-CD2 3.99Å; A119-F154 HydrophobicContact CB-CE1 3.51Å; A119-F154 HydrophobicContact CB-CE2 3.62Å; A119-F154 HydrophobicContact CB-CG 4.11Å; A119-F154 HydrophobicContact CB-CZ 3.37Å
120L98.3Very high96.9Very high3 Ų38.7 Ų8.72%0.0164%0.039CC..Hα-helixtrans-58.4-41173.9-70.8174.7000112L10 K11 T95 F116 N117 V118 Y122 T123 K124 F154 Y183L10-L120 HydrophobicContact CD2-CB 3.81Å; K11-L120 HydrophobicContact CD-CD1 4.5Å; K11-L120 HydrophobicContact CG-CD1 4.12Å; T95-L120 HydrophobicContact CG2-CD1 3.56Å; T95-L120 HydrophobicContact CG2-CD2 4.23Å; F116-L120 HydrophobicContact CD1-CD1 3.75Å; F116-L120 HydrophobicContact CD1-CG 3.86Å; F116-L120 HydrophobicContact CE1-CD1 3.84Å; F116-L120 HydrophobicContact CE1-CD2 4.05Å; F116-L120 HydrophobicContact CE1-CG 3.88Å; F116-L120 WeakPolarHBondContact O-CG 3.42Å; F116-L120 PolarHBondContact O-N 2.94Å; N117-L120 PolarHBondContact O-N 3.24Å; V118-L120 PolarHBondContact O-N 3.21Å; L120-Y122 PolarHBondContact O-N 2.96Å; L120-T123 PolarHBondContact O-N 3.27Å; L120-T123 PolarHBondContact O-OG1 3.46Å; L120-K124 WeakPolarHBondContact O-CG 3.33Å; L120-K124 PolarHBondContact O-N 3.12Å; L120-F154 HydrophobicContact CD2-CZ 4.11Å; L120-F154 HydrophobicContact CG-CZ 4.28Å; L120-Y183 HydrophobicContact CD2-CD1 4.36Å; L120-Y183 HydrophobicContact CD2-CE1 3.71Å
121W98.4Very high96.5Very high11 Ų1110.4 Ų10.44%0.0426%0.056CC..Hα-helixtrans-59.2-45.2174.817791.8000111.9L46 F47 C52 P54 M57 N117 V118 A119 T123 K124 Y125L46-W121 PolarHBondContact O-NE1 3.47Å; F47-W121 HydrophobicContact CD1-CB 3.83Å; F47-W121 HydrophobicContact CD1-CG 4.13Å; F47-W121 HydrophobicContact CE1-CB 4.22Å; C52-W121 HydrophobicContact CB-CZ2 3.96Å; C52-W121 WeakPolarHBondContact SG-CZ2 3.19Å; P54-W121 HydrophobicContact CG-CH2 4.29Å; M57-W121 HydrophobicContact CB-CD2 4.33Å; M57-W121 HydrophobicContact CB-CE3 3.91Å; M57-W121 HydrophobicContact CB-CH2 3.74Å; M57-W121 HydrophobicContact CB-CZ2 4.11Å; M57-W121 HydrophobicContact CB-CZ3 3.61Å; M57-W121 HydrophobicContact CE-CB 4.31Å; M57-W121 HydrophobicContact CE-CD2 3.58Å; M57-W121 HydrophobicContact CE-CE3 4.17Å; M57-W121 HydrophobicContact CE-CG 3.62Å; M57-W121 HydrophobicContact CE-CZ2 4.42Å; M57-W121 HydrophobicContact CG-CD2 3.98Å; M57-W121 HydrophobicContact CG-CE3 3.54Å; M57-W121 HydrophobicContact CG-CH2 4.32Å; M57-W121 HydrophobicContact CG-CZ3 3.73Å; M57-W121 HydrophobicContact SD-CD2 4.44Å; N117-W121 PolarHBondContact O-N 3.09Å; V118-W121 WeakPolarHBondContact O-CB 3.27Å; V118-W121 PolarHBondContact O-N 2.98Å; A119-W121 VanDerWaalsContact C-N 3.3Å; A119-W121 PolarHBondContact O-N 3.46Å; W121-T123 VanDerWaalsContact C-N 3.3Å; W121-T123 PolarHBondContact O-N 3.41Å; W121-K124 PolarHBondContact O-N 3.34Å; W121-K124 VanDerWaalsContact O-N 3.09Å; W121-Y125 AromaticContact CH2-CD2 3.93Å; W121-Y125 HydrophobicContact CH2-CD2 3.93Å; W121-Y125 HydrophobicContact CH2-CG 4.03Å; W121-Y125 AromaticContact CZ2-CD2 3.95Å; W121-Y125 HydrophobicContact CZ2-CD2 3.95Å; W121-Y125 HydrophobicContact CZ2-CG 4.32Å; W121-Y125 HydrophobicContact CZ3-CG 4.46Å; W121-Y125 WeakPolarHBondContact O-CB 3.23Å; W121-Y125 PolarHBondContact O-N 3.35Å
122Y98.6Very high95.9Very high15 Ų1513.9 Ų13.96%0.0597%0.071CC..Hα-helixtrans-59.8-40.4175.7-84.4-75.9000111.8P54 M57 V118 A119 L120 K124 A126 I149 I153P54-Y122 HydrophobicContact CB-CE1 4.03Å; P54-Y122 HydrophobicContact CG-CE1 4.48Å; P54-Y122 PolarHBondContact O-OH 3.5Å; M57-Y122 HydrophobicContact CG-CE2 4.19Å; V118-Y122 HydrophobicContact CG1-CD2 4.03Å; V118-Y122 HydrophobicContact CG1-CE2 3.79Å; V118-Y122 VanDerWaalsContact O-CD2 3.28Å; V118-Y122 WeakPolarHBondContact O-CD2 3.46Å; V118-Y122 PolarHBondContact O-N 2.84Å; A119-Y122 WeakPolarHBondContact O-CB 3.32Å; A119-Y122 PolarHBondContact O-N 3.41Å; A119-Y122 VanDerWaalsContact O-N 3.15Å; L120-Y122 PolarHBondContact O-N 2.96Å; Y122-K124 PolarHBondContact O-N 3.23Å; Y122-A126 WeakPolarHBondContact O-CB 3.29Å; Y122-A126 PolarHBondContact O-N 3.35Å; Y122-I149 HydrophobicContact CD1-CB 4.46Å; Y122-I149 HydrophobicContact CD1-CG2 4.21Å; Y122-I149 HydrophobicContact CD2-CG2 4Å; Y122-I149 HydrophobicContact CE1-CD1 4.26Å; Y122-I149 HydrophobicContact CE1-CG2 4.06Å; Y122-I149 HydrophobicContact CE2-CG2 3.86Å; Y122-I149 HydrophobicContact CG-CG2 4.19Å; Y122-I153 HydrophobicContact CD2-CD1 3.93Å; Y122-I153 HydrophobicContact CE2-CD1 4.07Å
123T98.1Very high95Very high4 Ų419.5 Ų19.53%0.02510%0.097CC..Hα-helixtrans-64.4-39.7174.873.80000111.9R7 A119 L120 W121 A126 S127 A150 F154 C187R7-T123 VanDerWaalsContact CZ-O 3.26Å; R7-T123 PolarHBondContact NE-O 3.19Å; R7-T123 PolarHBondContact NE-OG1 2.86Å; R7-T123 PolarHBondContact NH2-O 2.92Å; A119-T123 WeakPolarHBondContact O-CG2 3.47Å; A119-T123 PolarHBondContact O-N 3.48Å; L120-T123 PolarHBondContact O-N 3.27Å; L120-T123 PolarHBondContact O-OG1 3.46Å; W121-T123 VanDerWaalsContact C-N 3.3Å; W121-T123 PolarHBondContact O-N 3.41Å; T123-A126 PolarHBondContact O-N 3.01Å; T123-S127 PolarHBondContact O-N 3.25Å; T123-S127 PolarHBondContact O-OG 2.89Å; T123-A150 HydrophobicContact CG2-CB 3.66Å; T123-F154 HydrophobicContact CG2-CE2 4.3Å; T123-C187 VanDerWaalsContact CG2-SG 3.57Å
124K96.8Very high94.2Very high20 Ų2024.6 Ų24.69%0.08713%0.125CC..Hα-helixtrans-70.2-43.7179.6-76.3173.9-177.3-90.40111.5R7 N8 L10 L120 W121 Y122 A126 S127 R128 E397R7-K124 HydrophobicContact CB-CG 4.39Å; R7-K124 HydrophobicContact CG-CG 4.11Å; N8-K124 WeakPolarHBondContact O-CE 3.43Å; N8-K124 PolarHBondContact O-NZ 3.23Å; L10-K124 HydrophobicContact CD1-CD 4.27Å; L10-K124 HydrophobicContact CD2-CD 3.91Å; L10-K124 HydrophobicContact CG-CD 3.75Å; L120-K124 WeakPolarHBondContact O-CG 3.33Å; L120-K124 PolarHBondContact O-N 3.12Å; W121-K124 PolarHBondContact O-N 3.34Å; W121-K124 VanDerWaalsContact O-N 3.09Å; Y122-K124 PolarHBondContact O-N 3.23Å; K124-A126 PolarHBondContact O-N 2.97Å; K124-S127 WeakPolarHBondContact CA-OG 3.26Å; K124-S127 PolarHBondContact O-N 2.91Å; K124-S127 PolarHBondContact O-OG 3.03Å; K124-R128 WeakPolarHBondContact O-CB 3.28Å; K124-R128 PolarHBondContact O-N 2.97Å; K124-E397 WeakPolarHBondContact CE-OE1 3.34Å; K124-E397 IonicContact NZ-OE1 2.75Å; K124-E397 PolarHBondContact NZ-OE1 2.92Å; K124-E397 IonicContact NZ-OE2 3.74Å; K124-E397 PolarHBondContact NZ-OE2 3.5Å
125Y96.4Very high93.6Very high32 Ų3226.2 Ų26.213%0.12513%0.133CC..Hα-helixtrans-53.8-53.1171.2179.9-93.8000110P54 W121 S127 R128 L129 E142 S146P54-Y125 HydrophobicContact CG-CD1 4.26Å; P54-Y125 HydrophobicContact CG-CE1 3.76Å; W121-Y125 AromaticContact CH2-CD2 3.93Å; W121-Y125 HydrophobicContact CH2-CD2 3.93Å; W121-Y125 HydrophobicContact CH2-CG 4.03Å; W121-Y125 AromaticContact CZ2-CD2 3.95Å; W121-Y125 HydrophobicContact CZ2-CD2 3.95Å; W121-Y125 HydrophobicContact CZ2-CG 4.32Å; W121-Y125 HydrophobicContact CZ3-CG 4.46Å; W121-Y125 WeakPolarHBondContact O-CB 3.23Å; W121-Y125 PolarHBondContact O-N 3.35Å; Y125-S127 PolarHBondContact O-N 3.19Å; Y125-R128 PolarHBondContact O-N 3.45Å; Y125-L129 HydrophobicContact CD1-CD1 3.8Å; Y125-L129 HydrophobicContact CD2-CD1 3.9Å; Y125-L129 HydrophobicContact CE1-CD1 3.54Å; Y125-L129 HydrophobicContact CE1-CD2 4.04Å; Y125-L129 HydrophobicContact CE1-CG 4.46Å; Y125-L129 HydrophobicContact CE2-CD1 3.64Å; Y125-L129 HydrophobicContact CG-CD1 3.96Å; Y125-L129 VanDerWaalsContact CZ-CD1 3.44Å; Y125-L129 WeakPolarHBondContact O-CD1 3.38Å; Y125-L129 PolarHBondContact O-N 3.41Å; Y125-L129 VanDerWaalsContact O-N 3.09Å; Y125-E142 HydrophobicContact CE1-CG 3.8Å; Y125-S146 WeakPolarHBondContact CD1-OG 3.39Å
126A96.6Very high93.3Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-56.4-46.317600000112.8Y122 T123 K124 R128 L129 A130 V143 L147Y122-A126 WeakPolarHBondContact O-CB 3.29Å; Y122-A126 PolarHBondContact O-N 3.35Å; T123-A126 PolarHBondContact O-N 3.01Å; K124-A126 PolarHBondContact O-N 2.97Å; A126-R128 VanDerWaalsContact C-N 3.33Å; A126-R128 PolarHBondContact O-N 2.96Å; A126-L129 PolarHBondContact O-N 2.9Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.05Å; A126-V143 HydrophobicContact CB-CG1 4.1Å; A126-V143 WeakPolarHBondContact O-CG2 3.42Å; A126-L147 HydrophobicContact CB-CD1 4.26Å; A126-L147 HydrophobicContact CB-CD2 3.84Å; A126-L147 HydrophobicContact CB-CG 3.66Å
127S94.2Very high92.8Very high19 Ų1934.2 Ų34.213%0.13318%0.175CC..Hα-helixtrans-65.3-34179.361.20000114R7 T123 K124 Y125 G131R7-S127 PolarHBondContact NE-OG 2.94Å; T123-S127 PolarHBondContact O-N 3.25Å; T123-S127 PolarHBondContact O-OG 2.89Å; K124-S127 WeakPolarHBondContact CA-OG 3.26Å; K124-S127 PolarHBondContact O-N 2.91Å; K124-S127 PolarHBondContact O-OG 3.03Å; Y125-S127 PolarHBondContact O-N 3.19Å; S127-G131 PolarHBondContact O-N 3.43Å; S127-G131 VanDerWaalsContact O-N 3.1Å
128R92.4Very high92.6Very high65 Ų6539.3 Ų39.325%0.24520%0.202CC..Hα-helixtrans-68-44.7177.5179.5173.861.2102.3-8.4111L50 K124 Y125 A126 I400L50-R128 PolarHBondContact O-NH2 2.78Å; K124-R128 WeakPolarHBondContact O-CB 3.28Å; K124-R128 PolarHBondContact O-N 2.97Å; Y125-R128 PolarHBondContact O-N 3.45Å; A126-R128 VanDerWaalsContact C-N 3.33Å; A126-R128 PolarHBondContact O-N 2.96Å; R128-I400 HydrophobicContact CG-CG2 4.3Å
129L93.2Very high92.3Very high6 Ų641.1 Ų41.13%0.03121%0.21CC..Hα-helixtrans-65.1-44.6175.1-82.284000111.1Y125 A126 G131 K132 E139 E142 V143Y125-L129 HydrophobicContact CD1-CD1 3.8Å; Y125-L129 HydrophobicContact CD2-CD1 3.9Å; Y125-L129 HydrophobicContact CE1-CD1 3.54Å; Y125-L129 HydrophobicContact CE1-CD2 4.04Å; Y125-L129 HydrophobicContact CE1-CG 4.46Å; Y125-L129 HydrophobicContact CE2-CD1 3.64Å; Y125-L129 HydrophobicContact CG-CD1 3.96Å; Y125-L129 VanDerWaalsContact CZ-CD1 3.44Å; Y125-L129 WeakPolarHBondContact O-CD1 3.38Å; Y125-L129 PolarHBondContact O-N 3.41Å; Y125-L129 VanDerWaalsContact O-N 3.09Å; A126-L129 PolarHBondContact O-N 2.9Å; L129-G131 PolarHBondContact O-N 3.4Å; L129-K132 WeakPolarHBondContact O-CB 3.22Å; L129-K132 PolarHBondContact O-N 3.5Å; L129-K132 VanDerWaalsContact O-N 3.14Å; L129-E139 HydrophobicContact CD2-CB 4.02Å; L129-E139 HydrophobicContact CD2-CG 4.05Å; L129-E142 HydrophobicContact CD2-CB 4.36Å; L129-V143 HydrophobicContact CB-CG2 3.56Å
130A91.6Very high92Very high0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-62.6-24.9-179.200000114.4H3 F5 A126 V143H3-A130 HydrophobicContact CB-CB 4.15Å; H3-A130 PolarHBondContact N-O 3.33Å; H3-A130 CarbonylContact O-C 3.58Å; F5-A130 HydrophobicContact CD2-CB 4.19Å; F5-A130 HydrophobicContact CE2-CB 3.69Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.05Å; A130-V143 HydrophobicContact CB-CG1 4.05Å; A130-V143 HydrophobicContact CB-CG2 4.08Å
131G87.3Confident91.8Very high35 Ų3547.7 Ų47.736%0.36124%0.244SC..THydrogen-bonded Turntrans-84.2-8178.100000115.2S127 L129S127-G131 PolarHBondContact O-N 3.43Å; S127-G131 VanDerWaalsContact O-N 3.1Å; L129-G131 PolarHBondContact O-N 3.4Å
132K87.2Confident91.7Very high75 Ų7549.6 Ų49.633%0.32625%0.253SS..  trans-68.8131177.1-66.5-176.7178.7-176.50110.6T2 L129 N134 I135 E139T2-K132 WeakPolarHBondContact CG2-O 3.22Å; L129-K132 WeakPolarHBondContact O-CB 3.22Å; L129-K132 PolarHBondContact O-N 3.5Å; L129-K132 VanDerWaalsContact O-N 3.14Å; K132-N134 PolarHBondContact O-N 2.71Å; K132-I135 HydrophobicContact CB-CB 4.49Å; K132-I135 PolarHBondContact O-N 2.94Å; K132-E139 IonicContact NZ-OE1 3.83Å; K132-E139 PolarHBondContact NZ-OE1 3.15Å
133E78.3Confident91.6Very high119 Ų11949 Ų4956%0.55625%0.251SS*.THydrogen-bonded Turntrans-61.6-33.2178.8-64.3-169.3162.600112.5
134N80.3Confident91.6Very high107 Ų10751 Ų5157%0.57226%0.26SS*.THydrogen-bonded Turntrans-108.139.9-17861.6-19.2000113.2K132 T136K132-N134 PolarHBondContact O-N 2.71Å; N134-T136 PolarHBondContact O-N 3.13Å
135I87Confident91.6Very high33 Ų3357 Ų5717%0.16928%0.282CS..  trans-57.1128.3176.7-170174.9000111.8K132 E139 A140 V143K132-I135 HydrophobicContact CB-CB 4.49Å; K132-I135 PolarHBondContact O-N 2.94Å; I135-E139 WeakPolarHBondContact CA-OE2 3.33Å; I135-E139 HydrophobicContact CD1-CB 4.33Å; I135-E139 HydrophobicContact CG1-CB 3.65Å; I135-A140 HydrophobicContact CD1-CB 4.09Å; I135-A140 HydrophobicContact CG1-CB 4.5Å; I135-V143 HydrophobicContact CD1-CG2 4.14Å
136T90.2Very high91.7Very high73 Ų7355.4 Ų55.445%0.44828%0.276SS..  trans-82.6165.6176.173.70000112N134 D138 E139 A140N134-T136 PolarHBondContact O-N 3.13Å; T136-D138 VanDerWaalsContact C-N 3.29Å; T136-D138 PolarHBondContact O-N 2.85Å; T136-E139 PolarHBondContact N-OE2 2.85Å; T136-E139 PolarHBondContact O-N 3.13Å; T136-E139 WeakPolarHBondContact OG1-CG 3.39Å; T136-E139 PolarHBondContact OG1-N 3.39Å; T136-A140 PolarHBondContact O-N 3.19Å
137E89.9Confident91.8Very high96 Ų9655.4 Ų55.445%0.44928%0.276SS..Hα-helixtrans-59-40.6175.3-70.3-162.5156.400112.4A140 K141 R198E137-A140 PolarHBondContact O-N 3.32Å; E137-K141 WeakPolarHBondContact O-CG 3.26Å; E137-K141 PolarHBondContact O-N 3.33Å; E137-R198 IonicContact OE1-CZ 2.74Å; E137-R198 IonicContact OE1-NH1 2.74Å; E137-R198 PolarHBondContact OE1-NH1 2.84Å; E137-R198 IonicContact OE1-NH2 3.01Å
138D91.9Very high92Very high108 Ų10857.1 Ų57.158%0.57828%0.281SS*.Hα-helixtrans-70.8-36.5-179.4-68.1-30.4000111.6T136 A140 K141 E142T136-D138 VanDerWaalsContact C-N 3.29Å; T136-D138 PolarHBondContact O-N 2.85Å; D138-A140 VanDerWaalsContact C-N 3.34Å; D138-A140 PolarHBondContact O-N 3.34Å; D138-K141 WeakPolarHBondContact O-CB 3.27Å; D138-K141 PolarHBondContact O-N 3.03Å; D138-K141 IonicContact OD1-NZ 3.12Å; D138-K141 PolarHBondContact OD1-NZ 3.5Å; D138-E142 PolarHBondContact O-N 3.32Å
139E93.4Very high92.3Very high42 Ų4255.1 Ų55.120%0.19628%0.275CS..Hα-helixtrans-63.7-39.6170.8-72.9-179.8137.500111.7L129 K132 I135 T136 E142 V143L129-E139 HydrophobicContact CD2-CB 4.02Å; L129-E139 HydrophobicContact CD2-CG 4.05Å; K132-E139 IonicContact NZ-OE1 3.83Å; K132-E139 PolarHBondContact NZ-OE1 3.15Å; I135-E139 WeakPolarHBondContact CA-OE2 3.33Å; I135-E139 HydrophobicContact CD1-CB 4.33Å; I135-E139 HydrophobicContact CG1-CB 3.65Å; T136-E139 PolarHBondContact N-OE2 2.85Å; T136-E139 PolarHBondContact O-N 3.13Å; T136-E139 WeakPolarHBondContact OG1-CG 3.39Å; T136-E139 PolarHBondContact OG1-N 3.39Å; E139-E142 WeakPolarHBondContact O-CB 3.27Å; E139-E142 PolarHBondContact O-N 2.98Å; E139-E142 VanDerWaalsContact O-N 3.13Å; E139-V143 WeakPolarHBondContact O-CG2 3.3Å; E139-V143 PolarHBondContact O-N 3.26Å
140A91.9Very high92.5Very high27 Ų2754.8 Ų54.822%0.22327%0.273CS..Hα-helixtrans-64.2-39.8175.300000112.1I135 T136 E137 D138 E142 V143 H144 V194I135-A140 HydrophobicContact CD1-CB 4.09Å; I135-A140 HydrophobicContact CG1-CB 4.5Å; T136-A140 PolarHBondContact O-N 3.19Å; E137-A140 PolarHBondContact O-N 3.32Å; D138-A140 VanDerWaalsContact C-N 3.34Å; D138-A140 PolarHBondContact O-N 3.34Å; A140-E142 VanDerWaalsContact C-N 3.27Å; A140-E142 PolarHBondContact O-N 3.32Å; A140-V143 PolarHBondContact O-N 3.31Å; A140-H144 PolarHBondContact O-N 3.37Å; A140-V194 HydrophobicContact CB-CG1 4.42Å
141K94.6Very high92.9Very high114 Ų11454.8 Ų54.850%0.49627%0.273SS..Hα-helixtrans-60.3-39.5171-68.8171.5-162154.50111.1E137 D138 H144 R145E137-K141 WeakPolarHBondContact O-CG 3.26Å; E137-K141 PolarHBondContact O-N 3.33Å; D138-K141 WeakPolarHBondContact O-CB 3.27Å; D138-K141 PolarHBondContact O-N 3.03Å; D138-K141 IonicContact OD1-NZ 3.12Å; D138-K141 PolarHBondContact OD1-NZ 3.5Å; K141-H144 PolarHBondContact O-N 2.67Å; K141-R145 WeakPolarHBondContact O-CB 3.03Å; K141-R145 PolarHBondContact O-N 3.03Å
142E95.9Very high93.4Very high51 Ų5153.3 Ų53.324%0.23826%0.258CS..Hα-helixtrans-69.9-37.4179.6-159.361.7-15000112.5P54 Y125 L129 D138 E139 A140 R145 S146P54-E142 WeakPolarHBondContact CG-OE1 3.18Å; Y125-E142 HydrophobicContact CE1-CG 3.8Å; L129-E142 HydrophobicContact CD2-CB 4.36Å; D138-E142 PolarHBondContact O-N 3.32Å; E139-E142 WeakPolarHBondContact O-CB 3.27Å; E139-E142 PolarHBondContact O-N 2.98Å; E139-E142 VanDerWaalsContact O-N 3.13Å; A140-E142 VanDerWaalsContact C-N 3.27Å; A140-E142 PolarHBondContact O-N 3.32Å; E142-R145 PolarHBondContact O-N 3.05Å; E142-S146 WeakPolarHBondContact O-CB 3.29Å; E142-S146 PolarHBondContact O-N 3.45Å; E142-S146 PolarHBondContact O-OG 3.27Å
143V97.2Very high93.9Very high2 Ų249.8 Ų49.81%0.01224%0.243CC..Hα-helixtrans-56.4-52.9169.6172.40000109.8F5 A126 L129 A130 I135 E139 A140 R145 S146 L147 V194F5-V143 HydrophobicContact CE2-CG1 4.18Å; A126-V143 HydrophobicContact CB-CG1 4.1Å; A126-V143 WeakPolarHBondContact O-CG2 3.42Å; L129-V143 HydrophobicContact CB-CG2 3.56Å; A130-V143 HydrophobicContact CB-CG1 4.05Å; A130-V143 HydrophobicContact CB-CG2 4.08Å; I135-V143 HydrophobicContact CD1-CG2 4.14Å; E139-V143 WeakPolarHBondContact O-CG2 3.3Å; E139-V143 PolarHBondContact O-N 3.26Å; A140-V143 PolarHBondContact O-N 3.31Å; V143-R145 PolarHBondContact O-N 3.29Å; V143-S146 PolarHBondContact O-N 3.21Å; V143-L147 HydrophobicContact CG1-CD1 3.95Å; V143-L147 WeakPolarHBondContact O-CG 3.47Å; V143-L147 PolarHBondContact O-N 3.02Å; V143-L147 VanDerWaalsContact O-N 3.08Å; V143-V194 HydrophobicContact CG1-CG2 3.82Å
144H96.9Very high94.9Very high46 Ų4644.1 Ų44.121%0.21322%0.216CC..Hα-helixtrans-60.4-46.5-179.7174.7-101.4000111.9A140 K141 K148 A191 V194 T195A140-H144 PolarHBondContact O-N 3.37Å; K141-H144 PolarHBondContact O-N 2.67Å; H144-K148 VanDerWaalsContact CE1-CD 3.41Å; H144-K148 WeakPolarHBondContact CE1-CD 3.45Å; H144-K148 VanDerWaalsContact O-CG 3.31Å; H144-K148 WeakPolarHBondContact O-CG 3Å; H144-K148 PolarHBondContact O-N 2.86Å; H144-A191 PolarHBondContact CD2-O 3.19Å; H144-V194 HydrophobicContact CB-CB 4.23Å; H144-V194 HydrophobicContact CB-CG1 4.03Å; H144-T195 PolarHBondContact NE2-OG1 3.31Å
145R97.8Very high95.7Very high146 Ų14642.6 Ų42.655%0.55120%0.204SC*.Hα-helixtrans-61.6-46.7177.1179.9-178.7169.787.62.4111.8K141 E142 V143 L147 K148 I149K141-R145 WeakPolarHBondContact O-CB 3.03Å; K141-R145 PolarHBondContact O-N 3.03Å; E142-R145 PolarHBondContact O-N 3.05Å; V143-R145 PolarHBondContact O-N 3.29Å; R145-L147 PolarHBondContact O-N 3.35Å; R145-K148 PolarHBondContact O-N 3.19Å; R145-I149 HydrophobicContact CG-CD1 3.86Å; R145-I149 HydrophobicContact CG-CG1 4.49Å; R145-I149 WeakPolarHBondContact O-CG1 3.44Å; R145-I149 PolarHBondContact O-N 3.04Å
146S98.3Very high96.2Very high0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-61.9-42.8-177.7-660000112.3Y125 E142 V143 I149 A150Y125-S146 WeakPolarHBondContact CD1-OG 3.39Å; E142-S146 WeakPolarHBondContact O-CB 3.29Å; E142-S146 PolarHBondContact O-N 3.45Å; E142-S146 PolarHBondContact O-OG 3.27Å; V143-S146 PolarHBondContact O-N 3.21Å; S146-I149 PolarHBondContact O-N 3.07Å; S146-A150 PolarHBondContact O-N 3.17Å
147L98.5Very high96.5Very high0 Ų039.2 Ų39.20%018%0.183CC..Hα-helixtrans-64.7-39.9176.6-69.8166.9000112F5 A126 V143 R145 A150 A151 C187 E190 A191F5-L147 HydrophobicContact CE2-CD1 4.16Å; F5-L147 HydrophobicContact CZ-CD1 4.4Å; A126-L147 HydrophobicContact CB-CD1 4.26Å; A126-L147 HydrophobicContact CB-CD2 3.84Å; A126-L147 HydrophobicContact CB-CG 3.66Å; V143-L147 HydrophobicContact CG1-CD1 3.95Å; V143-L147 WeakPolarHBondContact O-CG 3.47Å; V143-L147 PolarHBondContact O-N 3.02Å; V143-L147 VanDerWaalsContact O-N 3.08Å; R145-L147 PolarHBondContact O-N 3.35Å; L147-A150 PolarHBondContact O-N 3.13Å; L147-A151 PolarHBondContact O-N 2.95Å; L147-C187 WeakPolarHBondContact O-CB 3.32Å; L147-E190 HydrophobicContact CD1-CB 3.78Å; L147-E190 HydrophobicContact CD2-CB 4.19Å; L147-E190 VanDerWaalsContact CD2-OE2 3.28Å; L147-E190 WeakPolarHBondContact CD2-OE2 3.45Å; L147-A191 HydrophobicContact CB-CB 3.9Å; L147-A191 HydrophobicContact CD1-CB 4.24Å
148K98.3Very high96.8Very high54 Ų5437.1 Ų37.124%0.23517%0.172CC..Hα-helixtrans-66.6-36175.9-69.1177.764.8-178.70113.1H144 R145 G152 A191 V351 E352 V354H144-K148 VanDerWaalsContact CE1-CD 3.41Å; H144-K148 WeakPolarHBondContact CE1-CD 3.45Å; H144-K148 VanDerWaalsContact O-CG 3.31Å; H144-K148 WeakPolarHBondContact O-CG 3Å; H144-K148 PolarHBondContact O-N 2.86Å; R145-K148 PolarHBondContact O-N 3.19Å; K148-G152 PolarHBondContact O-N 3.37Å; K148-A191 HydrophobicContact CG-CB 4.27Å; K148-V351 HydrophobicContact CD-CG1 3.92Å; K148-V351 HydrophobicContact CG-CG1 3.55Å; K148-E352 WeakPolarHBondContact CE-O 3.24Å; K148-V354 HydrophobicContact CB-CG2 3.85Å; K148-V354 PolarHBondContact O-N 3.25Å
149I98.4Very high97Very high23 Ų2336.9 Ų36.912%0.11817%0.168CC..Hα-helixtrans-65-46.7172.8-69.7168.8000109.8Y122 R145 S146 A151 G152 I153 V354Y122-I149 HydrophobicContact CD1-CB 4.46Å; Y122-I149 HydrophobicContact CD1-CG2 4.21Å; Y122-I149 HydrophobicContact CD2-CG2 4Å; Y122-I149 HydrophobicContact CE1-CD1 4.26Å; Y122-I149 HydrophobicContact CE1-CG2 4.06Å; Y122-I149 HydrophobicContact CE2-CG2 3.86Å; Y122-I149 HydrophobicContact CG-CG2 4.19Å; R145-I149 HydrophobicContact CG-CD1 3.86Å; R145-I149 HydrophobicContact CG-CG1 4.49Å; R145-I149 WeakPolarHBondContact O-CG1 3.44Å; R145-I149 PolarHBondContact O-N 3.04Å; S146-I149 PolarHBondContact O-N 3.07Å; I149-A151 PolarHBondContact O-N 2.72Å; I149-G152 WeakPolarHBondContact O-CA 3.21Å; I149-G152 PolarHBondContact O-N 3.01Å; I149-G152 VanDerWaalsContact O-N 3.09Å; I149-I153 HydrophobicContact CG2-CD1 3.84Å; I149-I153 HydrophobicContact CG2-CG1 4.41Å; I149-I153 WeakPolarHBondContact O-CG1 3.32Å; I149-I153 PolarHBondContact O-N 2.94Å; I149-V354 HydrophobicContact CG1-CB 4.45Å
150A98.5Very high97Very high0 Ų037.2 Ų37.20%018%0.175CC..Hα-helixtrans-58.2-46.9176.600000112.1A119 T123 S146 L147 G152 I153 F154A119-A150 HydrophobicContact CB-CB 4.42Å; A119-A150 WeakPolarHBondContact O-CB 3.46Å; T123-A150 HydrophobicContact CG2-CB 3.66Å; S146-A150 PolarHBondContact O-N 3.17Å; L147-A150 PolarHBondContact O-N 3.13Å; A150-G152 PolarHBondContact O-N 3.11Å; A150-I153 PolarHBondContact O-N 3.35Å; A150-F154 HydrophobicContact CB-CE2 4.32Å; A150-F154 WeakPolarHBondContact O-CD2 3.29Å; A150-F154 PolarHBondContact O-N 3.5Å
151A98.4Very high97Very high0 Ų036.8 Ų36.80%017%0.168CC..Hα-helixtrans-55.9-41.9174.600000111.8L147 I149 K155 C187 Q188 P353L147-A151 PolarHBondContact O-N 2.95Å; I149-A151 PolarHBondContact O-N 2.72Å; A151-K155 VanDerWaalsContact O-CB 3.27Å; A151-K155 WeakPolarHBondContact O-CB 3.4Å; A151-K155 PolarHBondContact O-N 2.91Å; A151-C187 HydrophobicContact CB-CB 3.63Å; A151-Q188 HydrophobicContact CB-CG 4.35Å; A151-P353 HydrophobicContact CB-CB 3.95Å; A151-P353 HydrophobicContact CB-CG 4.11Å
152G98.3Very high96.8Very high3 Ų332.8 Ų32.83%0.03115%0.153CC..Hα-helixtrans-61.2-48.6177.100000113.6K148 I149 A150 K155 H156 V354K148-G152 PolarHBondContact O-N 3.37Å; I149-G152 WeakPolarHBondContact O-CA 3.21Å; I149-G152 PolarHBondContact O-N 3.01Å; I149-G152 VanDerWaalsContact O-N 3.09Å; A150-G152 PolarHBondContact O-N 3.11Å; G152-K155 PolarHBondContact O-N 3.28Å; G152-H156 WeakPolarHBondContact O-CB 3.41Å; G152-H156 PolarHBondContact O-N 3.03Å; G152-V354 WeakPolarHBondContact CA-O 3.41Å
153I98.6Very high96.7Very high2 Ų235.1 Ų35.11%0.0117%0.173CC..Hα-helixtrans-61.1-51.1177.3-63.2162.6000109.9G115 V118 A119 Y122 I149 A150 K155 H156 L157 F356G115-I153 WeakPolarHBondContact O-CG2 2.83Å; V118-I153 HydrophobicContact CG1-CD1 4.15Å; A119-I153 HydrophobicContact CB-CB 3.88Å; A119-I153 HydrophobicContact CB-CD1 4.3Å; A119-I153 HydrophobicContact CB-CG2 3.79Å; Y122-I153 HydrophobicContact CD2-CD1 3.93Å; Y122-I153 HydrophobicContact CE2-CD1 4.07Å; I149-I153 HydrophobicContact CG2-CD1 3.84Å; I149-I153 HydrophobicContact CG2-CG1 4.41Å; I149-I153 WeakPolarHBondContact O-CG1 3.32Å; I149-I153 PolarHBondContact O-N 2.94Å; A150-I153 PolarHBondContact O-N 3.35Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.44Å; I153-H156 PolarHBondContact O-N 3.38Å; I153-L157 HydrophobicContact CG2-CD1 3.93Å; I153-L157 HydrophobicContact CG2-CG 4.22Å; I153-L157 WeakPolarHBondContact O-CB 3.49Å; I153-L157 VanDerWaalsContact O-CG 3.25Å; I153-L157 WeakPolarHBondContact O-CG 3.19Å; I153-L157 PolarHBondContact O-N 3.39Å; I153-F356 HydrophobicContact CB-CD1 4.39Å; I153-F356 HydrophobicContact CB-CG 4.34Å; I153-F356 HydrophobicContact CD1-CD2 4.36Å; I153-F356 HydrophobicContact CD1-CE2 4.42Å; I153-F356 HydrophobicContact CG1-CB 4.11Å; I153-F356 HydrophobicContact CG1-CD1 4.02Å; I153-F356 HydrophobicContact CG1-CD2 3.55Å; I153-F356 HydrophobicContact CG1-CE1 4.36Å; I153-F356 HydrophobicContact CG1-CE2 3.92Å; I153-F356 HydrophobicContact CG1-CG 3.59Å; I153-F356 HydrophobicContact CG1-CZ 4.31Å; I153-F356 HydrophobicContact CG2-CD1 4.45Å; I153-F356 HydrophobicContact CG2-CE1 4.45Å
154F98.5Very high96.4Very high0 Ų039.9 Ų39.90%019%0.193CC..Hα-helixtrans-58.3-41.9178.3-69.6-54.9000112.4F116 A119 L120 T123 A150 L157 K158 I180 Y183 V184F116-F154 AromaticContact CD1-CE1 3.68Å; F116-F154 HydrophobicContact CD1-CE1 3.68Å; F116-F154 HydrophobicContact CD1-CZ 4.46Å; F116-F154 AromaticContact CD2-CD1 3.85Å; F116-F154 HydrophobicContact CD2-CD1 3.85Å; F116-F154 AromaticContact CD2-CE1 3.7Å; F116-F154 HydrophobicContact CD2-CE1 3.7Å; F116-F154 AromaticContact CE1-CE1 3.6Å; F116-F154 HydrophobicContact CE1-CE1 3.6Å; F116-F154 HydrophobicContact CE1-CZ 4.22Å; F116-F154 AromaticContact CE2-CD1 3.79Å; F116-F154 HydrophobicContact CE2-CD1 3.79Å; F116-F154 AromaticContact CE2-CE1 3.62Å; F116-F154 HydrophobicContact CE2-CE1 3.62Å; F116-F154 HydrophobicContact CG-CD1 4.27Å; F116-F154 AromaticContact CG-CE1 3.72Å; F116-F154 HydrophobicContact CG-CE1 3.72Å; F116-F154 HydrophobicContact CZ-CD1 4.16Å; F116-F154 AromaticContact CZ-CE1 3.57Å; F116-F154 HydrophobicContact CZ-CE1 3.57Å; F116-F154 HydrophobicContact CZ-CZ 4.39Å; A119-F154 HydrophobicContact CB-CD1 3.89Å; A119-F154 HydrophobicContact CB-CD2 3.99Å; A119-F154 HydrophobicContact CB-CE1 3.51Å; A119-F154 HydrophobicContact CB-CE2 3.62Å; A119-F154 HydrophobicContact CB-CG 4.11Å; A119-F154 HydrophobicContact CB-CZ 3.37Å; L120-F154 HydrophobicContact CD2-CZ 4.11Å; L120-F154 HydrophobicContact CG-CZ 4.28Å; T123-F154 HydrophobicContact CG2-CE2 4.3Å; A150-F154 HydrophobicContact CB-CE2 4.32Å; A150-F154 WeakPolarHBondContact O-CD2 3.29Å; A150-F154 PolarHBondContact O-N 3.5Å; F154-L157 PolarHBondContact O-N 2.65Å; F154-K158 WeakPolarHBondContact O-CB 3.42Å; F154-K158 PolarHBondContact O-N 3.28Å; F154-I180 HydrophobicContact CB-CG1 4.14Å; F154-I180 HydrophobicContact CD1-CG1 4.22Å; F154-I180 WeakPolarHBondContact O-CD1 3.08Å; F154-Y183 HydrophobicContact CE1-CG 4.39Å; F154-Y183 HydrophobicContact CE2-CD1 4.16Å; F154-Y183 HydrophobicContact CE2-CG 4.23Å; F154-Y183 HydrophobicContact CZ-CD1 4.07Å; F154-Y183 HydrophobicContact CZ-CG 4.07Å; F154-V184 HydrophobicContact CB-CG2 3.49Å; F154-V184 VanDerWaalsContact CB-CG2 3.49Å
155K97.9Very high96.1Very high75 Ų7538.6 Ų38.633%0.32619%0.188SC..Hα-helixtrans-63-47.5177.7-176.2176.7178.4-177.70111.5A151 G152 I153 L157 K158 E159 V184 P353A151-K155 VanDerWaalsContact O-CB 3.27Å; A151-K155 WeakPolarHBondContact O-CB 3.4Å; A151-K155 PolarHBondContact O-N 2.91Å; G152-K155 PolarHBondContact O-N 3.28Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.44Å; K155-L157 PolarHBondContact O-N 3.49Å; K155-K158 PolarHBondContact O-N 3.39Å; K155-E159 WeakPolarHBondContact CE-OE1 3.44Å; K155-E159 WeakPolarHBondContact CE-OE2 3.47Å; K155-E159 HydrophobicContact CG-CG 4.43Å; K155-E159 WeakPolarHBondContact CG-OE1 3.14Å; K155-E159 WeakPolarHBondContact O-CB 3.18Å; K155-E159 WeakPolarHBondContact O-CG 3.49Å; K155-E159 PolarHBondContact O-N 3.18Å; K155-V184 HydrophobicContact CB-CG2 4.16Å; K155-P353 HydrophobicContact CD-CB 4.34Å; K155-P353 HydrophobicContact CD-CG 4.16Å
156H97.6Very high95.4Very high34 Ų3437.1 Ų37.116%0.15719%0.189CC..Hα-helixtrans-61.6-43.4177.6-176.673.9000112.1G152 I153 K158 E159 S160 H161 F356 F358G152-H156 WeakPolarHBondContact O-CB 3.41Å; G152-H156 PolarHBondContact O-N 3.03Å; I153-H156 PolarHBondContact O-N 3.38Å; H156-K158 PolarHBondContact O-N 3.03Å; H156-E159 PolarHBondContact O-N 3.37Å; H156-S160 WeakPolarHBondContact O-CB 3.41Å; H156-S160 PolarHBondContact O-N 3.23Å; H156-H161 AromaticContact CD2-CD2 3.6Å; H156-H161 AromaticContact CD2-NE2 3.43Å; H156-H161 PolarHBondContact CD2-NE2 3.25Å; H156-H161 AromaticContact CE1-NE2 3.83Å; H156-H161 AromaticContact NE2-CD2 3.55Å; H156-H161 AromaticContact NE2-NE2 2.91Å; H156-H161 PolarHBondContact NE2-NE2 3.46Å; H156-F356 HydrophobicContact CB-CB 4.36Å; H156-F356 HydrophobicContact CB-CD1 4.05Å; H156-F356 AromaticContact CD2-CD1 3.72Å; H156-F356 PolarHBondContact ND1-O 3.03Å; H156-F358 AromaticContact CD2-CE2 3.98Å; H156-F358 AromaticContact NE2-CD2 3.8Å
157L96.9Very high94.9Very high0 Ų041.1 Ų41.10%021%0.214CC..Iπ-helixtrans-61-43.6175.7-70.6-179.8000112I112 F116 I153 F154 K155 H161 T162 I180 F358I112-L157 HydrophobicContact CB-CD2 4.33Å; I112-L157 HydrophobicContact CG1-CD2 4.25Å; I112-L157 HydrophobicContact CG2-CB 4.38Å; I112-L157 HydrophobicContact CG2-CD1 4.38Å; I112-L157 HydrophobicContact CG2-CD2 4.21Å; F116-L157 HydrophobicContact CB-CD1 4.16Å; I153-L157 HydrophobicContact CG2-CD1 3.93Å; I153-L157 HydrophobicContact CG2-CG 4.22Å; I153-L157 WeakPolarHBondContact O-CB 3.49Å; I153-L157 VanDerWaalsContact O-CG 3.25Å; I153-L157 WeakPolarHBondContact O-CG 3.19Å; I153-L157 PolarHBondContact O-N 3.39Å; F154-L157 PolarHBondContact O-N 2.65Å; K155-L157 PolarHBondContact O-N 3.49Å; L157-H161 PolarHBondContact O-N 2.83Å; L157-T162 PolarHBondContact O-N 3.21Å; L157-T162 PolarHBondContact O-OG1 2.79Å; L157-I180 HydrophobicContact CB-CD1 3.84Å; L157-F358 HydrophobicContact CD2-CE2 3.9Å; L157-F358 HydrophobicContact CD2-CZ 3.7Å
158K95.8Very high94.4Very high52 Ų5246 Ų4623%0.22625%0.246CC..Iπ-helixtrans-63.2-48.5177.9-175.5-168.668.1165.50111.9F154 K155 H156 P163 I180 E181F154-K158 WeakPolarHBondContact O-CB 3.42Å; F154-K158 PolarHBondContact O-N 3.28Å; K155-K158 PolarHBondContact O-N 3.39Å; H156-K158 PolarHBondContact O-N 3.03Å; K158-P163 WeakPolarHBondContact O-CD 3.34Å; K158-I180 HydrophobicContact CB-CD1 3.95Å; K158-I180 HydrophobicContact CB-CG1 4.18Å; K158-I180 HydrophobicContact CB-CG2 3.96Å; K158-I180 HydrophobicContact CD-CG2 4.11Å; K158-I180 HydrophobicContact CG-CG2 3.75Å; K158-E181 IonicContact NZ-OE2 2.71Å; K158-E181 PolarHBondContact NZ-OE2 3.48Å
159E95.4Very high94Very high104 Ų10444.9 Ų44.949%0.48625%0.246SC..Iπ-helixtrans-83.6-39.5-169.6-68.3173.4-179.700112.6K155 H156K155-E159 WeakPolarHBondContact CE-OE1 3.44Å; K155-E159 WeakPolarHBondContact CE-OE2 3.47Å; K155-E159 HydrophobicContact CG-CG 4.43Å; K155-E159 WeakPolarHBondContact CG-OE1 3.14Å; K155-E159 WeakPolarHBondContact O-CB 3.18Å; K155-E159 WeakPolarHBondContact O-CG 3.49Å; K155-E159 PolarHBondContact O-N 3.18Å; H156-E159 PolarHBondContact O-N 3.37Å
160S93.1Very high93.6Very high49 Ų4949.4 Ų49.434%0.34327%0.267SS..Iπ-helixtrans-104.8-22.2-168.6-53.70000114.9H156 K164H156-S160 WeakPolarHBondContact O-CB 3.41Å; H156-S160 PolarHBondContact O-N 3.23Å; S160-K164 WeakPolarHBondContact O-CD 2.93Å; S160-K164 WeakPolarHBondContact O-CE 3.46Å; S160-K164 PolarHBondContact O-NZ 3.18Å
161H91.7Very high93.1Very high17 Ų1754.2 Ų54.28%0.07929%0.288CS..Iπ-helixtrans-121.5-40.1-171.4-62.7-78.2000114.1I112 H156 L157 P163 K164 F358I112-H161 HydrophobicContact CD1-CB 3.76Å; I112-H161 HydrophobicContact CG1-CB 3.61Å; H156-H161 AromaticContact CD2-CD2 3.6Å; H156-H161 AromaticContact CD2-NE2 3.43Å; H156-H161 PolarHBondContact CD2-NE2 3.25Å; H156-H161 AromaticContact CE1-NE2 3.83Å; H156-H161 AromaticContact NE2-CD2 3.55Å; H156-H161 AromaticContact NE2-NE2 2.91Å; H156-H161 PolarHBondContact NE2-NE2 3.46Å; L157-H161 PolarHBondContact O-N 2.83Å; H161-P163 VanDerWaalsContact C-CD 3.44Å; H161-P163 VanDerWaalsContact C-N 3.31Å; H161-K164 VanDerWaalsContact O-CB 3.31Å; H161-K164 WeakPolarHBondContact O-CB 3.42Å; H161-K164 PolarHBondContact O-N 3.1Å; H161-F358 AromaticContact CD2-CE2 3.75Å; H161-F358 AromaticContact CE1-CD2 3.81Å; H161-F358 AromaticContact CE1-CE2 3.88Å; H161-F358 AromaticContact NE2-CD2 3.44Å; H161-F358 WeakPolarHBondContact NE2-CD2 3.49Å; H161-F358 AromaticContact NE2-CE2 3.4Å; H161-F358 WeakPolarHBondContact NE2-CE2 3.49Å
162T91.8Very high92.6Very high31 Ų3154.2 Ų54.219%0.1929%0.288CS..G310 helixtrans-55.1-40.4177.6-54.70000112.8L157 K164 L165L157-T162 PolarHBondContact O-N 3.21Å; L157-T162 PolarHBondContact O-OG1 2.79Å; T162-K164 PolarHBondContact O-N 2.81Å; T162-L165 PolarHBondContact O-N 2.82Å
163P92.7Very high92.4Very high100 Ų10055 Ų5565%0.64929%0.29SS*.G310 helixtrans-65.8-15.4176.1-22.635.4000114.7K158 H161K158-P163 WeakPolarHBondContact O-CD 3.34Å; H161-P163 VanDerWaalsContact C-CD 3.44Å; H161-P163 VanDerWaalsContact C-N 3.31Å
164K90.6Very high92.2Very high101 Ų10154.9 Ų54.944%0.43929%0.29SS..G310 helixtrans-84.2-11.9179.7-60.4177.6177.7166.40112.8R85 V108 S160 H161 T162 I166R85-K164 PolarHBondContact NH2-O 3.11Å; V108-K164 HydrophobicContact CG1-CB 4.3Å; S160-K164 WeakPolarHBondContact O-CD 2.93Å; S160-K164 WeakPolarHBondContact O-CE 3.46Å; S160-K164 PolarHBondContact O-NZ 3.18Å; H161-K164 VanDerWaalsContact O-CB 3.31Å; H161-K164 WeakPolarHBondContact O-CB 3.42Å; H161-K164 PolarHBondContact O-N 3.1Å; T162-K164 PolarHBondContact O-N 2.81Å; K164-I166 PolarHBondContact O-N 2.97Å
165L90.4Very high91.8Very high19 Ų1955.1 Ų55.110%0.09929%0.291CS..  trans-68.5124.5178.1-68.4172.4000110.2V108 F109 I112 T162 L175V108-L165 HydrophobicContact CB-CD2 4.37Å; V108-L165 HydrophobicContact CG1-CD2 4.01Å; F109-L165 HydrophobicContact CB-CD2 3.98Å; I112-L165 HydrophobicContact CD1-CD1 3.91Å; I112-L165 HydrophobicContact CD1-CD2 4.02Å; I112-L165 HydrophobicContact CD1-CG 3.87Å; T162-L165 PolarHBondContact O-N 2.82Å; L165-L175 HydrophobicContact CD1-CD2 3.98Å
166I84.2Confident91.5Very high115 Ų11552.4 Ų52.459%0.5928%0.279SS*.SBendtrans-68.3-41.9174.9-63.5-179000110.2Y86 K164Y86-I166 HydrophobicContact CE1-CD1 3.85Å; Y86-I166 WeakPolarHBondContact OH-CD1 3.26Å; K164-I166 PolarHBondContact O-N 2.97Å
167T87.1Confident91.2Very high85 Ų8555 Ų5552%0.52130%0.301SS..SBendtrans-101.8109.2177.8-55.30000108.8Q104Q104-T167 PolarHBondContact NE2-O 3.02Å
168P89.1Confident91.1Very high102 Ų10258.1 Ų58.166%0.66231%0.313SS*.PPolyproline II helixtrans-63.8151.5178.327.8-34.3000110.5
169A88.4Confident91.1Very high30 Ų3055.7 Ų55.725%0.24830%0.302CS..PPolyproline II helixtrans-67.5143.6175.100000111.1R173 L175A169-R173 HydrophobicContact CB-CB 4.11Å; A169-L175 HydrophobicContact CB-CB 3.72Å
170E89.7Confident91.1Very high118 Ų11850.7 Ų50.755%0.55128%0.279SS*.PPolyproline II helixtrans-65.5159.5176.1-58.5168.1166.700111.6G172 R173E170-G172 PolarHBondContact O-N 2.95Å; E170-R173 HydrophobicContact CB-CG 3.84Å; E170-R173 VanDerWaalsContact O-CB 3.29Å; E170-R173 WeakPolarHBondContact O-CB 3.36Å; E170-R173 VanDerWaalsContact O-CG 3.27Å; E170-R173 WeakPolarHBondContact O-CG 3.29Å; E170-R173 PolarHBondContact O-N 2.56Å; E170-R173 IonicContact OE2-CZ 2.77Å; E170-R173 IonicContact OE2-NE 3.58Å; E170-R173 PolarHBondContact OE2-NE 2.96Å; E170-R173 IonicContact OE2-NH2 3.26Å; E170-R173 PolarHBondContact OE2-NH2 3.12Å
171K89.5Confident91.4Very high101 Ų10150.2 Ų50.244%0.43927%0.271SS..THydrogen-bonded Turntrans-56.7133172.8179.5179.1-178.9-164.80110L230 E231K171-L230 HydrophobicContact CG-CD2 4.5Å; K171-E231 IonicContact NZ-OE1 3.53Å; K171-E231 PolarHBondContact NZ-OE1 2.83Å
172G87.8Confident91.7Very high0 Ų049.4 Ų49.40%027%0.267CS..THydrogen-bonded Turntrans88.9-1.9-179.900000115.2Q97 E170 E176Q97-G172 WeakPolarHBondContact CG-O 3.44Å; Q97-G172 PolarHBondContact NE2-O 3.36Å; E170-G172 PolarHBondContact O-N 2.95Å; G172-E176 WeakPolarHBondContact CA-OE1 3.38Å; G172-E176 PolarHBondContact N-OE1 2.74Å
173R93.6Very high92Very high20 Ų2048.1 Ų48.18%0.07526%0.259CS..SBendtrans-91.2153.5179.6-58.7-77.1-178.4-179.11.7111.4D94 V100 P101 A169 E170 L175 E176D94-R173 VanDerWaalsContact CG-CD 3.48Å; D94-R173 WeakPolarHBondContact OD2-CD 3.39Å; D94-R173 IonicContact OD2-CZ 3.37Å; D94-R173 IonicContact OD2-NE 2.67Å; D94-R173 IonicContact OD2-NH1 3.2Å; D94-R173 PolarHBondContact OD2-NH1 2.77Å; V100-R173 PolarHBondContact O-NH1 3.01Å; P101-R173 PolarHBondContact O-NH2 2.74Å; A169-R173 HydrophobicContact CB-CB 4.11Å; E170-R173 HydrophobicContact CB-CG 3.84Å; E170-R173 VanDerWaalsContact O-CB 3.29Å; E170-R173 WeakPolarHBondContact O-CB 3.36Å; E170-R173 VanDerWaalsContact O-CG 3.27Å; E170-R173 WeakPolarHBondContact O-CG 3.29Å; E170-R173 PolarHBondContact O-N 2.56Å; E170-R173 IonicContact OE2-CZ 2.77Å; E170-R173 IonicContact OE2-NE 3.58Å; E170-R173 PolarHBondContact OE2-NE 2.96Å; E170-R173 IonicContact OE2-NH2 3.26Å; E170-R173 PolarHBondContact OE2-NH2 3.12Å; R173-L175 PolarHBondContact O-N 3.14Å; R173-L175 VanDerWaalsContact O-N 3.17Å; R173-E176 WeakPolarHBondContact O-CB 3.47Å; R173-E176 VanDerWaalsContact O-CG 3.28Å; R173-E176 WeakPolarHBondContact O-CG 3.35Å; R173-E176 PolarHBondContact O-N 2.92Å; R173-E176 VanDerWaalsContact O-N 3.07Å
174D93.6Very high92.2Very high0 Ų043.7 Ų43.70%023%0.23CC..THydrogen-bonded Turntrans-63.1-30.6-170.7-67.4-30.1000113.9K11 D94 T95 F116 E176K11-D174 VanDerWaalsContact CD-OD2 3.26Å; K11-D174 WeakPolarHBondContact CD-OD2 3.41Å; K11-D174 WeakPolarHBondContact CG-OD2 3.31Å; K11-D174 IonicContact NZ-OD2 3.69Å; K11-D174 PolarHBondContact NZ-OD2 2.87Å; D94-D174 WeakPolarHBondContact CA-OD2 3.31Å; D94-D174 PolarHBondContact OD1-N 3.46Å; T95-D174 VanDerWaalsContact CB-OD1 3.29Å; T95-D174 WeakPolarHBondContact CB-OD1 3.35Å; T95-D174 WeakPolarHBondContact CG2-OD1 3.41Å; T95-D174 WeakPolarHBondContact CG2-OD2 3.19Å; T95-D174 PolarHBondContact N-OD1 3.03Å; T95-D174 PolarHBondContact N-OD2 3.07Å; T95-D174 PolarHBondContact OG1-OD1 2.9Å; F116-D174 HydrophobicContact CD1-CB 4.35Å; F116-D174 HydrophobicContact CD2-CB 4.31Å; F116-D174 HydrophobicContact CE1-CB 3.93Å; F116-D174 HydrophobicContact CE2-CB 3.87Å; F116-D174 WeakPolarHBondContact CE2-O 3.36Å; F116-D174 HydrophobicContact CZ-CB 3.67Å; D174-E176 VanDerWaalsContact C-N 3.25Å; D174-E176 PolarHBondContact O-N 2.71Å
175L91.7Very high92.6Very high4 Ų439 Ų392%0.02121%0.21CC..THydrogen-bonded Turntrans-83.71.6-177.6-74.671000112.5F109 I112 L165 A169 R173F109-L175 HydrophobicContact CD2-CD2 3.8Å; F109-L175 HydrophobicContact CE2-CD2 4.04Å; I112-L175 HydrophobicContact CB-CD2 3.95Å; I112-L175 HydrophobicContact CG2-CD1 4.48Å; I112-L175 HydrophobicContact CG2-CD2 3.58Å; I112-L175 HydrophobicContact CG2-CG 3.69Å; L165-L175 HydrophobicContact CD1-CD2 3.98Å; A169-L175 HydrophobicContact CB-CB 3.72Å; R173-L175 PolarHBondContact O-N 3.14Å; R173-L175 VanDerWaalsContact O-N 3.17Å
176E91.5Very high93Very high18 Ų1838.3 Ų38.38%0.08421%0.206CC..SBendtrans-75.5151.4170.288.2167.7128.100111.4G172 R173 D174 R178 L179 I180 L230G172-E176 WeakPolarHBondContact CA-OE1 3.38Å; G172-E176 PolarHBondContact N-OE1 2.74Å; R173-E176 WeakPolarHBondContact O-CB 3.47Å; R173-E176 VanDerWaalsContact O-CG 3.28Å; R173-E176 WeakPolarHBondContact O-CG 3.35Å; R173-E176 PolarHBondContact O-N 2.92Å; R173-E176 VanDerWaalsContact O-N 3.07Å; D174-E176 VanDerWaalsContact C-N 3.25Å; D174-E176 PolarHBondContact O-N 2.71Å; E176-R178 VanDerWaalsContact C-N 3.27Å; E176-R178 HydrophobicContact CG-CB 4.39Å; E176-R178 PolarHBondContact O-N 2.95Å; E176-R178 VanDerWaalsContact O-N 3.13Å; E176-R178 IonicContact OE2-CZ 3.94Å; E176-R178 IonicContact OE2-NE 3.41Å; E176-R178 PolarHBondContact OE2-NE 2.96Å; E176-R178 IonicContact OE2-NH2 2.93Å; E176-R178 PolarHBondContact OE2-NH2 3.37Å; E176-L179 HydrophobicContact CG-CB 4.29Å; E176-L179 HydrophobicContact CG-CD1 3.87Å; E176-L179 PolarHBondContact O-N 3.18Å; E176-L179 VanDerWaalsContact OE1-CD1 3.26Å; E176-L179 WeakPolarHBondContact OE1-CD1 3.28Å; E176-I180 PolarHBondContact O-N 3.44Å; E176-L230 VanDerWaalsContact OE1-CD2 3.27Å; E176-L230 WeakPolarHBondContact OE1-CD2 3.07Å
177S91.6Very high93.7Very high88 Ų8832.9 Ų32.962%0.61518%0.178SC*.Hα-helixtrans-53.8-38.3-175.3174.90000114.3E181S177-E181 WeakPolarHBondContact O-CB 3.33Å; S177-E181 PolarHBondContact O-N 3.47Å
178R94.4Very high94.2Very high67 Ų6729.8 Ų29.825%0.25316%0.158SC..Hα-helixtrans-69.6-44.7-176.8-70.5173.2-72.8-154.8-10.7112.9E176 A182 T226 S229E176-R178 VanDerWaalsContact C-N 3.27Å; E176-R178 HydrophobicContact CG-CB 4.39Å; E176-R178 PolarHBondContact O-N 2.95Å; E176-R178 VanDerWaalsContact O-N 3.13Å; E176-R178 IonicContact OE2-CZ 3.94Å; E176-R178 IonicContact OE2-NE 3.41Å; E176-R178 PolarHBondContact OE2-NE 2.96Å; E176-R178 IonicContact OE2-NH2 2.93Å; E176-R178 PolarHBondContact OE2-NH2 3.37Å; R178-A182 WeakPolarHBondContact O-CB 3.46Å; R178-A182 PolarHBondContact O-N 3.32Å; R178-T226 HydrophobicContact CB-CG2 4.2Å; R178-T226 HydrophobicContact CG-CG2 4.49Å; R178-T226 VanDerWaalsContact O-CG2 3.22Å; R178-T226 WeakPolarHBondContact O-CG2 3.42Å; R178-S229 VanDerWaalsContact CD-OG 3.27Å; R178-S229 WeakPolarHBondContact CD-OG 3.42Å; R178-S229 PolarHBondContact NH1-OG 2.92Å
179L95Very high94.6Very high0 Ų024.9 Ų24.90%013%0.126CC..Hα-helixtrans-68.1-51.2-176.4-94.870000110.2L96 E176 E181 A182 Y183 L227 L230 W238L96-L179 HydrophobicContact CD1-CD1 4.15Å; L96-L179 HydrophobicContact CD1-CD2 3.74Å; L96-L179 HydrophobicContact CD1-CG 4.04Å; L96-L179 HydrophobicContact CG-CD2 3.92Å; E176-L179 HydrophobicContact CG-CB 4.29Å; E176-L179 HydrophobicContact CG-CD1 3.87Å; E176-L179 PolarHBondContact O-N 3.18Å; E176-L179 VanDerWaalsContact OE1-CD1 3.26Å; E176-L179 WeakPolarHBondContact OE1-CD1 3.28Å; L179-E181 VanDerWaalsContact C-N 3.32Å; L179-E181 PolarHBondContact O-N 3.38Å; L179-A182 PolarHBondContact O-N 3.01Å; L179-Y183 WeakPolarHBondContact O-CD2 3.42Å; L179-Y183 PolarHBondContact O-N 2.88Å; L179-L227 HydrophobicContact CD1-CD2 4.36Å; L179-L230 HydrophobicContact CD1-CD1 3.47Å; L179-L230 VanDerWaalsContact CD1-CD1 3.47Å; L179-L230 HydrophobicContact CD1-CD2 4.26Å; L179-W238 HydrophobicContact CG-CZ3 4.33Å
180I96.7Very high95.1Very high0 Ų023.5 Ų23.50%012%0.115CC..Hα-helixtrans-63-38.4-178-162.3163.7000112.1F116 F154 L157 K158 E176 Y183 V184F116-I180 HydrophobicContact CD2-CD1 4.26Å; F116-I180 HydrophobicContact CD2-CG1 4.49Å; F116-I180 HydrophobicContact CE2-CB 4.24Å; F116-I180 HydrophobicContact CE2-CD1 4.23Å; F116-I180 HydrophobicContact CE2-CG1 4.02Å; F154-I180 HydrophobicContact CB-CG1 4.14Å; F154-I180 HydrophobicContact CD1-CG1 4.22Å; F154-I180 WeakPolarHBondContact O-CD1 3.08Å; L157-I180 HydrophobicContact CB-CD1 3.84Å; K158-I180 HydrophobicContact CB-CD1 3.95Å; K158-I180 HydrophobicContact CB-CG1 4.18Å; K158-I180 HydrophobicContact CB-CG2 3.96Å; K158-I180 HydrophobicContact CD-CG2 4.11Å; K158-I180 HydrophobicContact CG-CG2 3.75Å; E176-I180 PolarHBondContact O-N 3.44Å; I180-Y183 PolarHBondContact O-N 3.47Å; I180-V184 WeakPolarHBondContact O-CG2 3.35Å; I180-V184 PolarHBondContact O-N 3.35Å
181E97.4Very high95.4Very high38 Ų3817.9 Ų17.918%0.1789%0.088CC..Hα-helixtrans-65.4-42.9174.6179.764.6-172.800111.8K158 S177 L179 Y183 V184 I185 K222 T226K158-E181 IonicContact NZ-OE2 2.71Å; K158-E181 PolarHBondContact NZ-OE2 3.48Å; S177-E181 WeakPolarHBondContact O-CB 3.33Å; S177-E181 PolarHBondContact O-N 3.47Å; L179-E181 VanDerWaalsContact C-N 3.32Å; L179-E181 PolarHBondContact O-N 3.38Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.19Å; E181-V184 PolarHBondContact O-N 3.3Å; E181-I185 HydrophobicContact CG-CD1 3.82Å; E181-I185 VanDerWaalsContact O-CG1 3.3Å; E181-I185 WeakPolarHBondContact O-CG1 3.37Å; E181-I185 PolarHBondContact O-N 3.14Å; E181-K222 IonicContact OE1-NZ 3.17Å; E181-T226 HydrophobicContact CB-CG2 4.19Å; E181-T226 HydrophobicContact CG-CG2 4.2Å
182A98.1Very high95.8Very high0 Ų013 Ų130%07%0.067CC..Hα-helixtrans-61.8-36.4175.800000112R178 L179 Q186 T226 L227 W238R178-A182 WeakPolarHBondContact O-CB 3.46Å; R178-A182 PolarHBondContact O-N 3.32Å; L179-A182 PolarHBondContact O-N 3.01Å; A182-Q186 VanDerWaalsContact O-CB 3.26Å; A182-Q186 WeakPolarHBondContact O-CB 3.27Å; A182-Q186 PolarHBondContact O-N 2.54Å; A182-T226 HydrophobicContact CB-CG2 4.29Å; A182-L227 HydrophobicContact CB-CD1 3.98Å; A182-L227 HydrophobicContact CB-CD2 3.58Å; A182-L227 HydrophobicContact CB-CG 3.69Å; A182-W238 HydrophobicContact CB-CH2 3.76Å; A182-W238 HydrophobicContact CB-CZ2 4.09Å
183Y98.4Very high96.2Very high5 Ų513 Ų132%0.027%0.067CC..Hα-helixtrans-66.3-41.9173.9-85.5-68.4000113.3N8 T95 F116 L120 F154 L179 I180 E181 Q186 C187 W238N8-Y183 WeakPolarHBondContact CB-OH 3.3Å; N8-Y183 PolarHBondContact ND2-OH 3.12Å; T95-Y183 WeakPolarHBondContact CB-OH 3.21Å; T95-Y183 WeakPolarHBondContact CG2-OH 3.27Å; T95-Y183 PolarHBondContact OG1-OH 2.96Å; F116-Y183 HydrophobicContact CE1-CD2 4.2Å; F116-Y183 HydrophobicContact CE1-CE2 4.03Å; F116-Y183 HydrophobicContact CE2-CD2 4.4Å; F116-Y183 AromaticContact CZ-CD2 3.49Å; F116-Y183 HydrophobicContact CZ-CD2 3.49Å; F116-Y183 VanDerWaalsContact CZ-CD2 3.49Å; F116-Y183 AromaticContact CZ-CE2 3.64Å; F116-Y183 HydrophobicContact CZ-CE2 3.64Å; F116-Y183 HydrophobicContact CZ-CG 4.26Å; L120-Y183 HydrophobicContact CD2-CD1 4.36Å; L120-Y183 HydrophobicContact CD2-CE1 3.71Å; F154-Y183 HydrophobicContact CE1-CG 4.39Å; F154-Y183 HydrophobicContact CE2-CD1 4.16Å; F154-Y183 HydrophobicContact CE2-CG 4.23Å; F154-Y183 HydrophobicContact CZ-CD1 4.07Å; F154-Y183 HydrophobicContact CZ-CG 4.07Å; L179-Y183 WeakPolarHBondContact O-CD2 3.42Å; L179-Y183 PolarHBondContact O-N 2.88Å; I180-Y183 PolarHBondContact O-N 3.47Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.19Å; Y183-Q186 PolarHBondContact O-N 3.37Å; Y183-C187 WeakPolarHBondContact O-CB 3.43Å; Y183-C187 PolarHBondContact O-N 3.04Å; Y183-C187 PolarHBondContact O-SG 2.92Å; Y183-W238 HydrophobicContact CD1-CH2 4.36Å; Y183-W238 HydrophobicContact CD1-CZ2 4.32Å; Y183-W238 AromaticContact CD2-CH2 3.77Å; Y183-W238 HydrophobicContact CD2-CH2 3.77Å; Y183-W238 HydrophobicContact CD2-CZ2 4.49Å; Y183-W238 HydrophobicContact CE1-CH2 4.25Å; Y183-W238 HydrophobicContact CE1-CZ2 4.24Å; Y183-W238 AromaticContact CE2-CH2 3.61Å; Y183-W238 HydrophobicContact CE2-CH2 3.61Å; Y183-W238 HydrophobicContact CE2-CZ2 4.4Å; Y183-W238 HydrophobicContact CE2-CZ3 4.09Å; Y183-W238 HydrophobicContact CG-CH2 4.14Å; Y183-W238 HydrophobicContact CG-CZ2 4.45Å; Y183-W238 AromaticContact CZ-CH2 3.88Å
184V98.3Very high96.3Very high6 Ų612.8 Ų12.84%0.0367%0.068CC..Hα-helixtrans-56.4-53.1173.6173.60000109.8F154 K155 I180 E181 Q186 C187 Q188F154-V184 HydrophobicContact CB-CG2 3.49Å; F154-V184 VanDerWaalsContact CB-CG2 3.49Å; K155-V184 HydrophobicContact CB-CG2 4.16Å; I180-V184 WeakPolarHBondContact O-CG2 3.35Å; I180-V184 PolarHBondContact O-N 3.35Å; E181-V184 PolarHBondContact O-N 3.3Å; V184-Q186 PolarHBondContact O-N 3.4Å; V184-C187 PolarHBondContact O-N 3.48Å; V184-Q188 PolarHBondContact O-N 3.37Å
185I98.3Very high96.4Very high2 Ų214 Ų141%0.018%0.075CC..Hα-helixtrans-64.7-42.7-176.4-61.8163000111.1E181 C187 Q188 A189 F219 K222 A223E181-I185 HydrophobicContact CG-CD1 3.82Å; E181-I185 VanDerWaalsContact O-CG1 3.3Å; E181-I185 WeakPolarHBondContact O-CG1 3.37Å; E181-I185 PolarHBondContact O-N 3.14Å; I185-C187 PolarHBondContact O-N 2.93Å; I185-Q188 PolarHBondContact O-N 2.99Å; I185-A189 PolarHBondContact O-N 3.35Å; I185-F219 HydrophobicContact CG2-CB 3.91Å; I185-F219 HydrophobicContact CG2-CD1 4.03Å; I185-F219 HydrophobicContact CG2-CG 4.44Å; I185-F219 WeakPolarHBondContact CG2-O 3.09Å; I185-K222 HydrophobicContact CD1-CB 4.43Å; I185-K222 HydrophobicContact CD1-CD 3.76Å; I185-K222 HydrophobicContact CD1-CG 3.88Å; I185-K222 HydrophobicContact CG1-CD 4.41Å; I185-K222 HydrophobicContact CG2-CB 4.43Å; I185-A223 HydrophobicContact CB-CB 4.18Å; I185-A223 HydrophobicContact CG2-CB 3.87Å
186Q98.4Very high96.5Very high6 Ų614 Ų143%0.0288%0.075CC..Hα-helixtrans-61.1-44177.3176.7175.6-49.600111.7A182 Y183 V184 Q188 A189 E190A182-Q186 VanDerWaalsContact O-CB 3.26Å; A182-Q186 WeakPolarHBondContact O-CB 3.27Å; A182-Q186 PolarHBondContact O-N 2.54Å; Y183-Q186 PolarHBondContact O-N 3.37Å; V184-Q186 PolarHBondContact O-N 3.4Å; Q186-Q188 VanDerWaalsContact C-N 3.27Å; Q186-Q188 PolarHBondContact O-N 3.25Å; Q186-A189 PolarHBondContact O-N 3.17Å; Q186-E190 HydrophobicContact CG-CG 4.06Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.3Å; Q186-E190 PolarHBondContact NE2-OE1 2.78Å; Q186-E190 WeakPolarHBondContact O-CB 3.32Å; Q186-E190 WeakPolarHBondContact O-CG 3.44Å; Q186-E190 PolarHBondContact O-N 3.31Å
187C98.5Very high96.6Very high0 Ų013.8 Ų13.80%08%0.076CC..Hα-helixtrans-61.4-38.5179-69.10000111.7T123 L147 A151 Y183 V184 I185 A191T123-C187 VanDerWaalsContact CG2-SG 3.57Å; L147-C187 WeakPolarHBondContact O-CB 3.32Å; A151-C187 HydrophobicContact CB-CB 3.63Å; Y183-C187 WeakPolarHBondContact O-CB 3.43Å; Y183-C187 PolarHBondContact O-N 3.04Å; Y183-C187 PolarHBondContact O-SG 2.92Å; V184-C187 PolarHBondContact O-N 3.48Å; I185-C187 PolarHBondContact O-N 2.93Å; C187-A191 VanDerWaalsContact O-CB 3.32Å; C187-A191 WeakPolarHBondContact O-CB 3.41Å; C187-A191 PolarHBondContact O-N 2.88Å; C187-A191 VanDerWaalsContact O-N 3.08Å
188Q97.9Very high96.6Very high20 Ų2013.7 Ų13.79%0.0936%0.063CC..Hα-helixtrans-64.6-47.2173.4-66.7179.4-89.300111.5A151 V184 I185 Q186 E190 A191 Q192 V351 P353A151-Q188 HydrophobicContact CB-CG 4.35Å; V184-Q188 PolarHBondContact O-N 3.37Å; I185-Q188 PolarHBondContact O-N 2.99Å; Q186-Q188 VanDerWaalsContact C-N 3.27Å; Q186-Q188 PolarHBondContact O-N 3.25Å; Q188-E190 PolarHBondContact O-N 3.08Å; Q188-A191 PolarHBondContact O-N 3.12Å; Q188-Q192 WeakPolarHBondContact O-CB 3.39Å; Q188-Q192 PolarHBondContact O-N 3.27Å; Q188-V351 PolarHBondContact NE2-O 3.18Å; Q188-P353 HydrophobicContact CG-CG 4.33Å
189A98Very high96.6Very high0 Ų010.8 Ų10.80%05%0.053CC..Hα-helixtrans-59.4-47179.100000112.2I185 Q186 A191 Q192 E193 F219 Y220I185-A189 PolarHBondContact O-N 3.35Å; Q186-A189 PolarHBondContact O-N 3.17Å; A189-A191 PolarHBondContact O-N 3.31Å; A189-Q192 VanDerWaalsContact O-CB 3.32Å; A189-Q192 WeakPolarHBondContact O-CB 3.43Å; A189-Q192 PolarHBondContact O-N 3.19Å; A189-E193 WeakPolarHBondContact O-CG 3.42Å; A189-E193 PolarHBondContact O-N 2.98Å; A189-E193 VanDerWaalsContact O-N 3.12Å; A189-F219 HydrophobicContact CB-CB 3.69Å; A189-Y220 HydrophobicContact CB-CD1 3.95Å; A189-Y220 HydrophobicContact CB-CD2 3.89Å; A189-Y220 HydrophobicContact CB-CE1 3.71Å; A189-Y220 HydrophobicContact CB-CE2 3.66Å; A189-Y220 HydrophobicContact CB-CG 4.03Å
190E98.1Very high96.5Very high0 Ų012.7 Ų12.70%06%0.063CC..Hα-helixtrans-64.9-38.7179.2-70.4179177.800112.2F5 R7 L147 Q186 Q188 Q192 E193 Y220 Y241F5-E190 HydrophobicContact CD1-CB 4Å; F5-E190 HydrophobicContact CD1-CG 3.55Å; F5-E190 HydrophobicContact CE1-CB 3.73Å; F5-E190 HydrophobicContact CE1-CG 3.79Å; F5-E190 HydrophobicContact CE2-CB 4.5Å; F5-E190 HydrophobicContact CG-CB 4.5Å; F5-E190 HydrophobicContact CG-CG 4.09Å; F5-E190 HydrophobicContact CZ-CB 4.01Å; F5-E190 HydrophobicContact CZ-CG 4.49Å; R7-E190 IonicContact CZ-OE1 3.59Å; R7-E190 IonicContact CZ-OE2 3.82Å; R7-E190 VanDerWaalsContact CZ-OE2 3.27Å; R7-E190 VanDerWaalsContact NH1-CD 3.28Å; R7-E190 IonicContact NH1-OE1 3.93Å; R7-E190 PolarHBondContact NH1-OE1 3.05Å; R7-E190 IonicContact NH1-OE2 2.9Å; R7-E190 PolarHBondContact NH1-OE2 3.47Å; R7-E190 IonicContact NH2-OE1 2.86Å; R7-E190 IonicContact NH2-OE2 3.84Å; R7-E190 PolarHBondContact NH2-OE2 2.97Å; L147-E190 HydrophobicContact CD1-CB 3.78Å; L147-E190 HydrophobicContact CD2-CB 4.19Å; L147-E190 VanDerWaalsContact CD2-OE2 3.28Å; L147-E190 WeakPolarHBondContact CD2-OE2 3.45Å; Q186-E190 HydrophobicContact CG-CG 4.06Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.3Å; Q186-E190 PolarHBondContact NE2-OE1 2.78Å; Q186-E190 WeakPolarHBondContact O-CB 3.32Å; Q186-E190 WeakPolarHBondContact O-CG 3.44Å; Q186-E190 PolarHBondContact O-N 3.31Å; Q188-E190 PolarHBondContact O-N 3.08Å; E190-Q192 VanDerWaalsContact C-N 3.34Å; E190-E193 WeakPolarHBondContact O-CB 3.08Å; E190-E193 PolarHBondContact O-N 3.48Å; E190-Y220 WeakPolarHBondContact CG-OH 3.45Å; E190-Y241 PolarHBondContact OE1-OH 2.86Å; E190-Y241 VanDerWaalsContact OE1-OH 3.12Å
191A97.4Very high96.2Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-67.2-38.1174.100000111.3H144 L147 K148 C187 Q188 A189 E193 V194 T195 V351H144-A191 PolarHBondContact CD2-O 3.19Å; L147-A191 HydrophobicContact CB-CB 3.9Å; L147-A191 HydrophobicContact CD1-CB 4.24Å; K148-A191 HydrophobicContact CG-CB 4.27Å; C187-A191 VanDerWaalsContact O-CB 3.32Å; C187-A191 WeakPolarHBondContact O-CB 3.41Å; C187-A191 PolarHBondContact O-N 2.88Å; C187-A191 VanDerWaalsContact O-N 3.08Å; Q188-A191 PolarHBondContact O-N 3.12Å; A189-A191 PolarHBondContact O-N 3.31Å; A191-E193 PolarHBondContact O-N 3.43Å; A191-V194 WeakPolarHBondContact O-CB 3.27Å; A191-V194 PolarHBondContact O-N 3.47Å; A191-T195 PolarHBondContact O-N 2.9Å; A191-T195 VanDerWaalsContact O-N 3.17Å; A191-T195 PolarHBondContact O-OG1 2.88Å; A191-V351 HydrophobicContact CB-CB 4.39Å; A191-V351 HydrophobicContact CB-CG1 3.82Å; A191-V351 HydrophobicContact CB-CG2 4.01Å
192Q96.6Very high96Very high0 Ų020.5 Ų20.50%010%0.102CC..Hα-helixtrans-61.1-32176.2-157.170.313.300111.7Q188 A189 E190 V194 T195 I196 T216 G349Q188-Q192 WeakPolarHBondContact O-CB 3.39Å; Q188-Q192 PolarHBondContact O-N 3.27Å; A189-Q192 VanDerWaalsContact O-CB 3.32Å; A189-Q192 WeakPolarHBondContact O-CB 3.43Å; A189-Q192 PolarHBondContact O-N 3.19Å; E190-Q192 VanDerWaalsContact C-N 3.34Å; Q192-V194 VanDerWaalsContact C-N 3.3Å; Q192-V194 PolarHBondContact O-N 2.94Å; Q192-T195 WeakPolarHBondContact O-CB 3.45Å; Q192-T195 PolarHBondContact O-N 3.31Å; Q192-I196 WeakPolarHBondContact O-CG1 3.42Å; Q192-I196 PolarHBondContact O-N 3.49Å; Q192-T216 HydrophobicContact CB-CG2 4.42Å; Q192-T216 WeakPolarHBondContact CB-OG1 3.47Å; Q192-T216 WeakPolarHBondContact CG-OG1 3.43Å; Q192-G349 PolarHBondContact NE2-O 2.64Å; Q192-G349 PolarHBondContact OE1-O 2.98Å
193E96.6Very high95.7Very high0 Ų029.4 Ų29.40%014%0.141CC..Hα-helixtrans-59.2-41.1172.6-55.2-164.2-169.800112.6H3 F5 A189 E190 A191 T195 I196 A197 T216 Y220 K245 Y249H3-E193 PolarHBondContact CE1-O 3.5Å; H3-E193 IonicContact CG-OE2 3.67Å; H3-E193 IonicContact ND1-OE2 3.75Å; H3-E193 PolarHBondContact ND1-OE2 3.49Å; H3-E193 VanDerWaalsContact ND1-OE2 3.12Å; F5-E193 HydrophobicContact CE1-CG 4.4Å; F5-E193 WeakPolarHBondContact CE1-OE2 3.17Å; A189-E193 WeakPolarHBondContact O-CG 3.42Å; A189-E193 PolarHBondContact O-N 2.98Å; A189-E193 VanDerWaalsContact O-N 3.12Å; E190-E193 WeakPolarHBondContact O-CB 3.08Å; E190-E193 PolarHBondContact O-N 3.48Å; A191-E193 PolarHBondContact O-N 3.43Å; E193-T195 VanDerWaalsContact C-N 3.33Å; E193-I196 PolarHBondContact O-N 3.15Å; E193-A197 PolarHBondContact O-N 3.34Å; E193-T216 HydrophobicContact CG-CG2 4.34Å; E193-Y220 PolarHBondContact OE1-OH 3.09Å; E193-K245 WeakPolarHBondContact OE1-CD 3.32Å; E193-K245 WeakPolarHBondContact OE1-CE 3.36Å; E193-K245 IonicContact OE1-NZ 2.65Å; E193-K245 PolarHBondContact OE1-NZ 3.36Å; E193-K245 IonicContact OE2-NZ 3.29Å; E193-K245 PolarHBondContact OE2-NZ 3.22Å; E193-Y249 VanDerWaalsContact CB-OH 3.27Å; E193-Y249 WeakPolarHBondContact CB-OH 3.35Å; E193-Y249 VanDerWaalsContact CD-CZ 3.45Å; E193-Y249 HydrophobicContact CG-CE1 4.26Å; E193-Y249 HydrophobicContact CG-CE2 3.59Å; E193-Y249 WeakPolarHBondContact CG-OH 3.47Å; E193-Y249 VanDerWaalsContact OE1-CE2 3.27Å; E193-Y249 WeakPolarHBondContact OE1-CE2 3.41Å; E193-Y249 PolarHBondContact OE2-OH 3.04Å
194V95.5Very high95.5Very high14 Ų1433.3 Ų33.39%0.08516%0.159CC..Hα-helixtrans-67.6-39.6177.9-173.20000109.9A140 V143 H144 A191 Q192 I196 A197 R198A140-V194 HydrophobicContact CB-CG1 4.42Å; V143-V194 HydrophobicContact CG1-CG2 3.82Å; H144-V194 HydrophobicContact CB-CB 4.23Å; H144-V194 HydrophobicContact CB-CG1 4.03Å; A191-V194 WeakPolarHBondContact O-CB 3.27Å; A191-V194 PolarHBondContact O-N 3.47Å; Q192-V194 VanDerWaalsContact C-N 3.3Å; Q192-V194 PolarHBondContact O-N 2.94Å; V194-I196 PolarHBondContact O-N 3.5Å; V194-A197 PolarHBondContact O-N 3.29Å; V194-R198 PolarHBondContact O-N 3.5Å
195T95.1Very high95.4Very high26 Ų2636 Ų3616%0.1618%0.182CC..Hα-helixtrans-60.9-42.9173.8-55.70000111.9H144 A191 Q192 E193 R198 A199 L212H144-T195 PolarHBondContact NE2-OG1 3.31Å; A191-T195 PolarHBondContact O-N 2.9Å; A191-T195 VanDerWaalsContact O-N 3.17Å; A191-T195 PolarHBondContact O-OG1 2.88Å; Q192-T195 WeakPolarHBondContact O-CB 3.45Å; Q192-T195 PolarHBondContact O-N 3.31Å; E193-T195 VanDerWaalsContact C-N 3.33Å; T195-R198 PolarHBondContact O-N 3.11Å; T195-A199 WeakPolarHBondContact O-CB 3.21Å; T195-A199 PolarHBondContact O-N 2.96Å; T195-L212 HydrophobicContact CG2-CD1 4.43Å; T195-L212 HydrophobicContact CG2-CD2 4.48Å
196I95.6Very high95.2Very high4 Ų437.7 Ų37.72%0.02119%0.193CC..Hα-helixtrans-61.6-48175.2-69.9162.1000110.7Q192 E193 V194 R198 A199 I200 I209 L212 A213 T216 Y249Q192-I196 WeakPolarHBondContact O-CG1 3.42Å; Q192-I196 PolarHBondContact O-N 3.49Å; E193-I196 PolarHBondContact O-N 3.15Å; V194-I196 PolarHBondContact O-N 3.5Å; I196-R198 VanDerWaalsContact C-N 3.27Å; I196-R198 PolarHBondContact O-N 3.29Å; I196-A199 PolarHBondContact O-N 3.01Å; I196-A199 VanDerWaalsContact O-N 3.15Å; I196-I200 HydrophobicContact CG2-CD1 3.83Å; I196-I200 HydrophobicContact CG2-CG1 4.48Å; I196-I200 VanDerWaalsContact O-CG1 3.3Å; I196-I200 WeakPolarHBondContact O-CG1 3.19Å; I196-I200 PolarHBondContact O-N 2.83Å; I196-I209 HydrophobicContact CG2-CG2 4.31Å; I196-L212 HydrophobicContact CD1-CB 4.41Å; I196-L212 HydrophobicContact CG1-CB 3.71Å; I196-A213 HydrophobicContact CD1-CB 4.13Å; I196-T216 HydrophobicContact CD1-CG2 4.46Å; I196-T216 WeakPolarHBondContact CD1-OG1 3.36Å; I196-Y249 HydrophobicContact CD1-CD1 3.8Å; I196-Y249 HydrophobicContact CD1-CE1 3.64Å
197A93.4Very high95Very high13 Ų1338.7 Ų38.711%0.10721%0.205CC..Hα-helixtrans-58.8-41.317900000111.6M1 E193 V194 I200 E201M1-A197 HydrophobicContact CB-CB 3.96Å; M1-A197 HydrophobicContact CE-CB 4.46Å; M1-A197 HydrophobicContact SD-CB 4.48Å; E193-A197 PolarHBondContact O-N 3.34Å; V194-A197 PolarHBondContact O-N 3.29Å; A197-I200 PolarHBondContact O-N 2.87Å; A197-E201 PolarHBondContact O-N 3.1Å; A197-E201 VanDerWaalsContact O-N 3.09Å
198R91.6Very high94.8Very high86 Ų8640.7 Ų40.733%0.32522%0.215SC..Hα-helixtrans-68.8-38.6175.4-174.855.8174.5-178.9-2.2112.5E137 V194 T195 I196 I200 E201 L202E137-R198 IonicContact OE1-CZ 2.74Å; E137-R198 IonicContact OE1-NH1 2.74Å; E137-R198 PolarHBondContact OE1-NH1 2.84Å; E137-R198 IonicContact OE1-NH2 3.01Å; V194-R198 PolarHBondContact O-N 3.5Å; T195-R198 PolarHBondContact O-N 3.11Å; I196-R198 VanDerWaalsContact C-N 3.27Å; I196-R198 PolarHBondContact O-N 3.29Å; R198-I200 VanDerWaalsContact C-N 3.29Å; R198-I200 PolarHBondContact O-N 2.72Å; R198-E201 WeakPolarHBondContact CD-OE2 3.12Å; R198-E201 IonicContact CZ-OE2 2.76Å; R198-E201 IonicContact NE-OE2 3.45Å; R198-E201 IonicContact NH1-OE1 2.67Å; R198-E201 IonicContact NH1-OE2 2.82Å; R198-E201 PolarHBondContact NH1-OE2 3.49Å; R198-E201 PolarHBondContact O-N 3.2Å; R198-L202 HydrophobicContact CG-CD1 3.97Å; R198-L202 HydrophobicContact CG-CG 4.32Å; R198-L202 WeakPolarHBondContact O-CB 3.26Å; R198-L202 WeakPolarHBondContact O-CG 3.38Å; R198-L202 PolarHBondContact O-N 3.21Å
199A93.3Very high94.7Very high6 Ų639.9 Ų39.95%0.0521%0.212CC..Hα-helixtrans-62.4-38.8177.400000111.8T195 I196 K203 H204 I209 L212T195-A199 WeakPolarHBondContact O-CB 3.21Å; T195-A199 PolarHBondContact O-N 2.96Å; I196-A199 PolarHBondContact O-N 3.01Å; I196-A199 VanDerWaalsContact O-N 3.15Å; A199-K203 PolarHBondContact O-N 2.87Å; A199-H204 HydrophobicContact CB-CB 4.47Å; A199-H204 PolarHBondContact O-CD2 2.74Å; A199-H204 PolarHBondContact O-N 2.87Å; A199-I209 HydrophobicContact CB-CG1 4.19Å; A199-L212 HydrophobicContact CB-CD1 3.96Å
200I92.8Very high94.6Very high41 Ų4139.9 Ų39.921%0.2121%0.212CC..Hα-helixtrans-65.6-45.8174-65.8165.9000110.8M1 I196 A197 R198 L202 K203 I209 Y252 Y256M1-I200 HydrophobicContact CE-CD1 4.31Å; I196-I200 HydrophobicContact CG2-CD1 3.83Å; I196-I200 HydrophobicContact CG2-CG1 4.48Å; I196-I200 VanDerWaalsContact O-CG1 3.3Å; I196-I200 WeakPolarHBondContact O-CG1 3.19Å; I196-I200 PolarHBondContact O-N 2.83Å; A197-I200 PolarHBondContact O-N 2.87Å; R198-I200 VanDerWaalsContact C-N 3.29Å; R198-I200 PolarHBondContact O-N 2.72Å; I200-L202 PolarHBondContact O-N 2.72Å; I200-K203 PolarHBondContact O-N 2.84Å; I200-I209 HydrophobicContact CD1-CG2 4.24Å; I200-I209 HydrophobicContact CG1-CD1 3.92Å; I200-I209 HydrophobicContact CG1-CG1 4.39Å; I200-I209 HydrophobicContact CG1-CG2 3.85Å; I200-Y252 HydrophobicContact CD1-CE1 4.26Å; I200-Y256 HydrophobicContact CD1-CE2 4.08Å; I200-Y256 WeakPolarHBondContact CD1-OH 3.49Å; I200-Y256 HydrophobicContact CG1-CE2 4.41Å; I200-Y256 WeakPolarHBondContact CG1-OH 3.47Å
201E90.6Very high94.5Very high111 Ų11140.1 Ų40.152%0.51921%0.214SC..Hα-helixtrans-62.4-42.1179.7180177-14700112.7A197 R198 K203A197-E201 PolarHBondContact O-N 3.1Å; A197-E201 VanDerWaalsContact O-N 3.09Å; R198-E201 WeakPolarHBondContact CD-OE2 3.12Å; R198-E201 IonicContact CZ-OE2 2.76Å; R198-E201 IonicContact NE-OE2 3.45Å; R198-E201 IonicContact NH1-OE1 2.67Å; R198-E201 IonicContact NH1-OE2 2.82Å; R198-E201 PolarHBondContact NH1-OE2 3.49Å; R198-E201 PolarHBondContact O-N 3.2Å; E201-K203 PolarHBondContact O-N 2.99Å
202L92.4Very high94.5Very high90 Ų9040.3 Ų40.347%0.47121%0.214SC..THydrogen-bonded Turntrans-76.23.9174.8-67.2177.8000113.3R198 I200 H204R198-L202 HydrophobicContact CG-CD1 3.97Å; R198-L202 HydrophobicContact CG-CG 4.32Å; R198-L202 WeakPolarHBondContact O-CB 3.26Å; R198-L202 WeakPolarHBondContact O-CG 3.38Å; R198-L202 PolarHBondContact O-N 3.21Å; I200-L202 PolarHBondContact O-N 2.72Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 2.7Å
203K93.3Very high94.5Very high188 Ų18840.3 Ų40.382%0.81721%0.214SC*.THydrogen-bonded Turntrans54.740.2177.5-54.1-179.8-178.6177.50113.1A199 I200 E201A199-K203 PolarHBondContact O-N 2.87Å; I200-K203 PolarHBondContact O-N 2.84Å; E201-K203 PolarHBondContact O-N 2.99Å
204H94.8Very high94.5Very high87 Ų8743.1 Ų43.140%0.40323%0.225SC..  trans-62.1161.7172.5-78.8-83.6000111.7A199 L202 L208 I209A199-H204 HydrophobicContact CB-CB 4.47Å; A199-H204 PolarHBondContact O-CD2 2.74Å; A199-H204 PolarHBondContact O-N 2.87Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 2.7Å; H204-L208 HydrophobicContact CB-CD2 4.12Å; H204-I209 WeakPolarHBondContact O-CD1 3.15Å
205A94.6Very high94.6Very high63 Ų6344.2 Ų44.252%0.52123%0.23SC..  trans-56.2139.9179.300000111.8G207 L208 I209A205-G207 PolarHBondContact O-N 2.84Å; A205-L208 PolarHBondContact O-N 2.92Å; A205-I209 PolarHBondContact O-N 2.85Å
206P94.4Very high94.7Very high36 Ų3643 Ų4323%0.23422%0.222CC..Hα-helixtrans-59.3-33.1-177.223.8-34.2000112.2L208 I209 A210 Y256 E259P206-L208 VanDerWaalsContact C-N 3.34Å; P206-L208 PolarHBondContact O-N 3.49Å; P206-I209 PolarHBondContact O-N 3.34Å; P206-A210 WeakPolarHBondContact O-CB 3.46Å; P206-A210 PolarHBondContact O-N 2.99Å; P206-Y256 HydrophobicContact CB-CD1 3.99Å; P206-E259 HydrophobicContact CB-CB 3.92Å; P206-E259 HydrophobicContact CG-CB 4.41Å
207G94.6Very high94.8Very high28 Ų2842.9 Ų42.929%0.28922%0.222SC..Hα-helixtrans-61.9-37.9176.400000113.5A205 A211 T260A205-G207 PolarHBondContact O-N 2.84Å; G207-A211 WeakPolarHBondContact O-CB 3.41Å; G207-A211 PolarHBondContact O-N 3.42Å; G207-T260 WeakPolarHBondContact CA-OG1 3.33Å; G207-T260 PolarHBondContact N-OG1 2.94Å
208L94.8Very high95Very high41 Ų4144.4 Ų44.422%0.21523%0.228CC..Hα-helixtrans-67.8-43.7174.7177.462.5000110.8H204 A205 P206 A210 A211 L212H204-L208 HydrophobicContact CB-CD2 4.12Å; A205-L208 PolarHBondContact O-N 2.92Å; P206-L208 VanDerWaalsContact C-N 3.34Å; P206-L208 PolarHBondContact O-N 3.49Å; L208-A210 VanDerWaalsContact C-N 3.33Å; L208-A210 PolarHBondContact O-N 3.31Å; L208-A211 PolarHBondContact O-N 3.17Å; L208-L212 HydrophobicContact CD1-CD1 4.29Å; L208-L212 HydrophobicContact CD1-CG 4.24Å; L208-L212 HydrophobicContact CG-CD1 4.03Å; L208-L212 HydrophobicContact CG-CG 4.43Å; L208-L212 VanDerWaalsContact O-CG 3.29Å; L208-L212 WeakPolarHBondContact O-CG 3.47Å; L208-L212 PolarHBondContact O-N 2.78Å
209I95.9Very high95.3Very high4 Ų442.2 Ų42.22%0.02122%0.221CC..Hα-helixtrans-63.4-42.3179-59.9166.7000110.5I196 A199 I200 H204 A205 P206 A211 L212 A213 Y256I196-I209 HydrophobicContact CG2-CG2 4.31Å; A199-I209 HydrophobicContact CB-CG1 4.19Å; I200-I209 HydrophobicContact CD1-CG2 4.24Å; I200-I209 HydrophobicContact CG1-CD1 3.92Å; I200-I209 HydrophobicContact CG1-CG1 4.39Å; I200-I209 HydrophobicContact CG1-CG2 3.85Å; H204-I209 WeakPolarHBondContact O-CD1 3.15Å; A205-I209 PolarHBondContact O-N 2.85Å; P206-I209 PolarHBondContact O-N 3.34Å; I209-A211 PolarHBondContact O-N 2.77Å; I209-L212 PolarHBondContact O-N 2.69Å; I209-A213 WeakPolarHBondContact O-CB 3.35Å; I209-A213 PolarHBondContact O-N 2.9Å; I209-Y256 HydrophobicContact CB-CD1 3.96Å; I209-Y256 HydrophobicContact CB-CD2 4.34Å; I209-Y256 HydrophobicContact CB-CE1 4.32Å; I209-Y256 HydrophobicContact CB-CG 3.97Å; I209-Y256 HydrophobicContact CD1-CD1 4.08Å; I209-Y256 HydrophobicContact CD1-CE1 3.77Å; I209-Y256 HydrophobicContact CG2-CD1 3.87Å; I209-Y256 HydrophobicContact CG2-CD2 3.48Å; I209-Y256 VanDerWaalsContact CG2-CD2 3.48Å; I209-Y256 HydrophobicContact CG2-CE1 3.96Å; I209-Y256 HydrophobicContact CG2-CE2 3.58Å; I209-Y256 HydrophobicContact CG2-CG 3.63Å
210A95.8Very high95.5Very high0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-60.1-45.1175.300000111.7P206 L208 A213 Y214 H257 L344P206-A210 WeakPolarHBondContact O-CB 3.46Å; P206-A210 PolarHBondContact O-N 2.99Å; L208-A210 VanDerWaalsContact C-N 3.33Å; L208-A210 PolarHBondContact O-N 3.31Å; A210-A213 PolarHBondContact O-N 3.24Å; A210-Y214 WeakPolarHBondContact O-CB 3.21Å; A210-Y214 PolarHBondContact O-N 3.4Å; A210-H257 HydrophobicContact CB-CB 4.25Å; A210-L344 HydrophobicContact CB-CD1 3.62Å
211A96.1Very high95.8Very high5 Ų545 Ų454%0.04123%0.232CC..Hα-helixtrans-64.9-43.9177.800000112.4G207 L208 I209 A213 Y214 E215 L344 A346G207-A211 WeakPolarHBondContact O-CB 3.41Å; G207-A211 PolarHBondContact O-N 3.42Å; L208-A211 PolarHBondContact O-N 3.17Å; I209-A211 PolarHBondContact O-N 2.77Å; A211-A213 VanDerWaalsContact C-N 3.33Å; A211-A213 PolarHBondContact O-N 3.05Å; A211-Y214 PolarHBondContact O-N 3.08Å; A211-E215 VanDerWaalsContact O-CG 3.32Å; A211-E215 WeakPolarHBondContact O-CG 3.44Å; A211-E215 PolarHBondContact O-N 3.41Å; A211-L344 HydrophobicContact CB-CB 3.94Å; A211-A346 HydrophobicContact CB-CB 4.05Å
212L96.6Very high96.1Very high3 Ų345 Ų452%0.01623%0.23CC..Hα-helixtrans-61.2-41.1175.5-70.5169.3000112T195 I196 A199 L208 I209 T216 A346 Y348T195-L212 HydrophobicContact CG2-CD1 4.43Å; T195-L212 HydrophobicContact CG2-CD2 4.48Å; I196-L212 HydrophobicContact CD1-CB 4.41Å; I196-L212 HydrophobicContact CG1-CB 3.71Å; A199-L212 HydrophobicContact CB-CD1 3.96Å; L208-L212 HydrophobicContact CD1-CD1 4.29Å; L208-L212 HydrophobicContact CD1-CG 4.24Å; L208-L212 HydrophobicContact CG-CD1 4.03Å; L208-L212 HydrophobicContact CG-CG 4.43Å; L208-L212 VanDerWaalsContact O-CG 3.29Å; L208-L212 WeakPolarHBondContact O-CG 3.47Å; L208-L212 PolarHBondContact O-N 2.78Å; I209-L212 PolarHBondContact O-N 2.69Å; L212-T216 WeakPolarHBondContact O-CB 3.24Å; L212-T216 PolarHBondContact O-N 2.75Å; L212-T216 PolarHBondContact O-OG1 3.34Å; L212-A346 HydrophobicContact CD2-CB 3.92Å; L212-A346 HydrophobicContact CG-CB 4.31Å; L212-Y348 WeakPolarHBondContact CD2-O 3.48Å
213A96.9Very high96.4Very high0 Ų040.7 Ų40.70%021%0.208CC..Hα-helixtrans-66.6-39.7175.300000112.4I196 I209 A210 A211 T216 A217 Y249 A253I196-A213 HydrophobicContact CD1-CB 4.13Å; I209-A213 WeakPolarHBondContact O-CB 3.35Å; I209-A213 PolarHBondContact O-N 2.9Å; A210-A213 PolarHBondContact O-N 3.24Å; A211-A213 VanDerWaalsContact C-N 3.33Å; A211-A213 PolarHBondContact O-N 3.05Å; A213-T216 WeakPolarHBondContact O-CB 3.07Å; A213-T216 PolarHBondContact O-N 2.87Å; A213-A217 PolarHBondContact O-N 2.94Å; A213-Y249 HydrophobicContact CB-CD1 4.38Å; A213-A253 HydrophobicContact CB-CB 4.07Å
214Y97.1Very high96.6Very high59 Ų5932.8 Ų32.823%0.23117%0.174CC..Hα-helixtrans-64-46.7177-171.2-117.8000111.8A210 A211 T216 A217 N218 A253 L342 L344A210-Y214 WeakPolarHBondContact O-CB 3.21Å; A210-Y214 PolarHBondContact O-N 3.4Å; A211-Y214 PolarHBondContact O-N 3.08Å; Y214-T216 VanDerWaalsContact C-N 3.32Å; Y214-T216 PolarHBondContact O-N 3.19Å; Y214-A217 WeakPolarHBondContact O-CB 3.42Å; Y214-A217 PolarHBondContact O-N 3.48Å; Y214-A217 VanDerWaalsContact O-N 3.09Å; Y214-N218 PolarHBondContact O-N 2.9Å; Y214-N218 PolarHBondContact O-ND2 2.79Å; Y214-A253 HydrophobicContact CD2-CB 4.41Å; Y214-L342 HydrophobicContact CD2-CB 3.85Å; Y214-L342 HydrophobicContact CD2-CD1 3.75Å; Y214-L342 HydrophobicContact CD2-CG 4.47Å; Y214-L342 HydrophobicContact CE1-CB 4.37Å; Y214-L342 VanDerWaalsContact CE1-O 3.26Å; Y214-L342 WeakPolarHBondContact CE1-O 3.47Å; Y214-L342 HydrophobicContact CE2-CB 3.61Å; Y214-L342 HydrophobicContact CE2-CD1 4.02Å; Y214-L342 HydrophobicContact CE2-CG 4.48Å; Y214-L342 HydrophobicContact CG-CB 4.36Å; Y214-L342 PolarHBondContact OH-O 2.55Å; Y214-L344 HydrophobicContact CD1-CB 4.13Å; Y214-L344 WeakPolarHBondContact CD1-O 3.34Å; Y214-L344 HydrophobicContact CG-CB 4.44Å
215E96.5Very high96.7Very high38 Ų3835.1 Ų35.118%0.17819%0.185CC..Hα-helixtrans-64.5-36.4176.8-64.2-75.9-159.500112A211 A217 N218 F219 A346 L350A211-E215 VanDerWaalsContact O-CG 3.32Å; A211-E215 WeakPolarHBondContact O-CG 3.44Å; A211-E215 PolarHBondContact O-N 3.41Å; E215-A217 VanDerWaalsContact C-N 3.33Å; E215-A217 PolarHBondContact O-N 3.27Å; E215-N218 WeakPolarHBondContact O-CB 3.19Å; E215-N218 PolarHBondContact O-N 3.24Å; E215-N218 PolarHBondContact OE2-ND2 2.94Å; E215-F219 VanDerWaalsContact O-CD2 3.29Å; E215-F219 WeakPolarHBondContact O-CD2 3.26Å; E215-F219 PolarHBondContact O-N 3.35Å; E215-A346 HydrophobicContact CG-CB 4.24Å; E215-L350 HydrophobicContact CB-CD2 3.88Å; E215-L350 HydrophobicContact CG-CD2 3.99Å
216T97.8Very high96.9Very high0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-58.7-44.5170.6-560000111.8Q192 E193 I196 L212 A213 Y214 N218 F219 Y220 Y249Q192-T216 HydrophobicContact CB-CG2 4.42Å; Q192-T216 WeakPolarHBondContact CB-OG1 3.47Å; Q192-T216 WeakPolarHBondContact CG-OG1 3.43Å; E193-T216 HydrophobicContact CG-CG2 4.34Å; I196-T216 HydrophobicContact CD1-CG2 4.46Å; I196-T216 WeakPolarHBondContact CD1-OG1 3.36Å; L212-T216 WeakPolarHBondContact O-CB 3.24Å; L212-T216 PolarHBondContact O-N 2.75Å; L212-T216 PolarHBondContact O-OG1 3.34Å; A213-T216 WeakPolarHBondContact O-CB 3.07Å; A213-T216 PolarHBondContact O-N 2.87Å; Y214-T216 VanDerWaalsContact C-N 3.32Å; Y214-T216 PolarHBondContact O-N 3.19Å; T216-N218 VanDerWaalsContact C-N 3.32Å; T216-N218 PolarHBondContact O-N 3.33Å; T216-F219 PolarHBondContact O-N 2.98Å; T216-Y220 HydrophobicContact CG2-CD2 3.86Å; T216-Y220 HydrophobicContact CG2-CE2 3.68Å; T216-Y220 VanDerWaalsContact O-CD2 3.27Å; T216-Y220 WeakPolarHBondContact O-CD2 3.25Å; T216-Y220 PolarHBondContact O-N 3.25Å; T216-Y220 VanDerWaalsContact O-N 3.11Å; T216-Y249 HydrophobicContact CG2-CD1 3.84Å; T216-Y249 HydrophobicContact CG2-CD2 3.71Å; T216-Y249 HydrophobicContact CG2-CE1 4.23Å; T216-Y249 HydrophobicContact CG2-CE2 4.13Å; T216-Y249 HydrophobicContact CG2-CG 3.59Å
217A97.8Very high96.9Very high1 Ų131.7 Ų31.71%0.00816%0.157CC..Hα-helixtrans-63.3-39.3176.500000111.8A213 Y214 E215 Y220 Q221 T250A213-A217 PolarHBondContact O-N 2.94Å; Y214-A217 WeakPolarHBondContact O-CB 3.42Å; Y214-A217 PolarHBondContact O-N 3.48Å; Y214-A217 VanDerWaalsContact O-N 3.09Å; E215-A217 VanDerWaalsContact C-N 3.33Å; E215-A217 PolarHBondContact O-N 3.27Å; A217-Y220 PolarHBondContact O-N 3.45Å; A217-Q221 WeakPolarHBondContact O-CB 3.35Å; A217-Q221 PolarHBondContact O-N 3.06Å; A217-T250 WeakPolarHBondContact CB-OG1 3.37Å
218N97.3Very high96.9Very high45 Ų4532.7 Ų32.724%0.24116%0.16CC..Hα-helixtrans-63.3-41.1176.2-65.3-21.1000112Y214 E215 T216 Q221 K222Y214-N218 PolarHBondContact O-N 2.9Å; Y214-N218 PolarHBondContact O-ND2 2.79Å; E215-N218 WeakPolarHBondContact O-CB 3.19Å; E215-N218 PolarHBondContact O-N 3.24Å; E215-N218 PolarHBondContact OE2-ND2 2.94Å; T216-N218 VanDerWaalsContact C-N 3.32Å; T216-N218 PolarHBondContact O-N 3.33Å; N218-Q221 PolarHBondContact O-N 2.92Å; N218-K222 VanDerWaalsContact O-CB 3.3Å; N218-K222 WeakPolarHBondContact O-CB 3.27Å; N218-K222 PolarHBondContact O-N 3.3Å
219F98Very high96.9Very high40 Ų4033.8 Ų33.818%0.17517%0.171CC..Hα-helixtrans-60.5-48.3172.8-73.6-55.1000111.4I185 A189 E215 T216 Q221 K222 A223I185-F219 HydrophobicContact CG2-CB 3.91Å; I185-F219 HydrophobicContact CG2-CD1 4.03Å; I185-F219 HydrophobicContact CG2-CG 4.44Å; I185-F219 WeakPolarHBondContact CG2-O 3.09Å; A189-F219 HydrophobicContact CB-CB 3.69Å; E215-F219 VanDerWaalsContact O-CD2 3.29Å; E215-F219 WeakPolarHBondContact O-CD2 3.26Å; E215-F219 PolarHBondContact O-N 3.35Å; T216-F219 PolarHBondContact O-N 2.98Å; F219-Q221 VanDerWaalsContact C-N 3.33Å; F219-Q221 PolarHBondContact O-N 3.44Å; F219-K222 PolarHBondContact O-N 3.24Å; F219-A223 PolarHBondContact O-N 3.21Å
220Y98.4Very high96.8Very high0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-62.3-39.2177.8-79.5-59.1000113.2A189 E190 E193 T216 A217 A223 D224 Y241 L242 K245 Y249A189-Y220 HydrophobicContact CB-CD1 3.95Å; A189-Y220 HydrophobicContact CB-CD2 3.89Å; A189-Y220 HydrophobicContact CB-CE1 3.71Å; A189-Y220 HydrophobicContact CB-CE2 3.66Å; A189-Y220 HydrophobicContact CB-CG 4.03Å; E190-Y220 WeakPolarHBondContact CG-OH 3.45Å; E193-Y220 PolarHBondContact OE1-OH 3.09Å; T216-Y220 HydrophobicContact CG2-CD2 3.86Å; T216-Y220 HydrophobicContact CG2-CE2 3.68Å; T216-Y220 VanDerWaalsContact O-CD2 3.27Å; T216-Y220 WeakPolarHBondContact O-CD2 3.25Å; T216-Y220 PolarHBondContact O-N 3.25Å; T216-Y220 VanDerWaalsContact O-N 3.11Å; A217-Y220 PolarHBondContact O-N 3.45Å; Y220-A223 PolarHBondContact O-N 3.32Å; Y220-D224 PolarHBondContact O-N 3.17Å; Y220-Y241 HydrophobicContact CE1-CE1 4.23Å; Y220-Y241 PolarHBondContact OH-OH 3.38Å; Y220-L242 HydrophobicContact CD1-CD2 3.73Å; Y220-L242 HydrophobicContact CE1-CD2 4.14Å; Y220-K245 HydrophobicContact CD1-CB 3.72Å; Y220-K245 HydrophobicContact CD1-CG 4.43Å; Y220-K245 HydrophobicContact CD2-CB 3.57Å; Y220-K245 HydrophobicContact CE1-CB 3.77Å; Y220-K245 HydrophobicContact CE1-CG 4.01Å; Y220-K245 HydrophobicContact CE2-CB 3.6Å; Y220-K245 HydrophobicContact CE2-CD 4.24Å; Y220-K245 HydrophobicContact CE2-CG 4.15Å; Y220-K245 HydrophobicContact CG-CB 3.63Å; Y220-Y249 HydrophobicContact CD2-CD2 4.16Å; Y220-Y249 AromaticContact CE2-CD2 3.89Å; Y220-Y249 HydrophobicContact CE2-CD2 3.89Å; Y220-Y249 HydrophobicContact CE2-CE2 4.12Å
221Q98.1Very high96.6Very high106 Ų10638.4 Ų38.450%0.49519%0.193SC..Hα-helixtrans-62-46.9174-173.6-17943.300111.4A217 N218 F219 A223 D224 H225 M246A217-Q221 WeakPolarHBondContact O-CB 3.35Å; A217-Q221 PolarHBondContact O-N 3.06Å; N218-Q221 PolarHBondContact O-N 2.92Å; F219-Q221 VanDerWaalsContact C-N 3.33Å; F219-Q221 PolarHBondContact O-N 3.44Å; Q221-A223 VanDerWaalsContact C-N 3.34Å; Q221-A223 PolarHBondContact O-N 3.44Å; Q221-D224 PolarHBondContact O-N 3.35Å; Q221-H225 WeakPolarHBondContact O-CB 3.49Å; Q221-H225 PolarHBondContact O-N 2.82Å; Q221-M246 HydrophobicContact CB-CG 4.05Å; Q221-M246 HydrophobicContact CB-SD 3.51Å; Q221-M246 VanDerWaalsContact CB-SD 3.51Å; Q221-M246 HydrophobicContact CG-SD 3.58Å; Q221-M246 VanDerWaalsContact CG-SD 3.58Å
222K97.9Very high96.4Very high111 Ų11142.2 Ų42.248%0.48322%0.217SC..Hα-helixtrans-61.3-43.8178.7-167.7-172.8178.2-164.50110.7E181 I185 N218 F219 H225 T226E181-K222 IonicContact OE1-NZ 3.17Å; I185-K222 HydrophobicContact CD1-CB 4.43Å; I185-K222 HydrophobicContact CD1-CD 3.76Å; I185-K222 HydrophobicContact CD1-CG 3.88Å; I185-K222 HydrophobicContact CG1-CD 4.41Å; I185-K222 HydrophobicContact CG2-CB 4.43Å; N218-K222 VanDerWaalsContact O-CB 3.3Å; N218-K222 WeakPolarHBondContact O-CB 3.27Å; N218-K222 PolarHBondContact O-N 3.3Å; F219-K222 PolarHBondContact O-N 3.24Å; K222-H225 PolarHBondContact O-N 3.25Å; K222-T226 PolarHBondContact O-N 2.91Å; K222-T226 PolarHBondContact O-OG1 3.24Å
223A97.8Very high96.2Very high0 Ų046.4 Ų46.40%025%0.252CS..Hα-helixtrans-61.3-44.2175.400000112.3I185 F219 Y220 Q221 H225 T226 L227 L242I185-A223 HydrophobicContact CB-CB 4.18Å; I185-A223 HydrophobicContact CG2-CB 3.87Å; F219-A223 PolarHBondContact O-N 3.21Å; Y220-A223 PolarHBondContact O-N 3.32Å; Q221-A223 VanDerWaalsContact C-N 3.34Å; Q221-A223 PolarHBondContact O-N 3.44Å; A223-H225 PolarHBondContact O-N 3.49Å; A223-T226 PolarHBondContact O-N 3.49Å; A223-L227 WeakPolarHBondContact O-CG 3.31Å; A223-L227 PolarHBondContact O-N 2.71Å; A223-L242 HydrophobicContact CB-CD1 3.94Å; A223-L242 HydrophobicContact CB-CD2 4.02Å
224D97.8Very high95.9Very high21 Ų2147.9 Ų47.911%0.11226%0.258CS..Hα-helixtrans-62.6-43.2176.3-178.350.9000111.7Y220 Q221 T226 L227 S228 R239 L242Y220-D224 PolarHBondContact O-N 3.17Å; Q221-D224 PolarHBondContact O-N 3.35Å; D224-T226 PolarHBondContact O-N 2.94Å; D224-L227 PolarHBondContact O-N 2.93Å; D224-S228 PolarHBondContact O-N 2.9Å; D224-S228 VanDerWaalsContact O-N 3.13Å; D224-R239 WeakPolarHBondContact OD1-CB 3.41Å; D224-R239 VanDerWaalsContact OD1-CG 3.31Å; D224-R239 WeakPolarHBondContact OD1-CG 3.25Å; D224-R239 IonicContact OD1-CZ 2.73Å; D224-R239 IonicContact OD1-NE 3.79Å; D224-R239 PolarHBondContact OD1-NE 2.99Å; D224-R239 IonicContact OD1-NH2 3.69Å; D224-R239 PolarHBondContact OD1-NH2 3.19Å; D224-R239 IonicContact OD2-NH2 2.64Å; D224-R239 PolarHBondContact OD2-NH2 3.08Å; D224-L242 HydrophobicContact CB-CB 4Å; D224-L242 HydrophobicContact CB-CD1 4.46Å
225H97.4Very high95.7Very high137 Ų13745 Ų4563%0.63425%0.247SC*.Hα-helixtrans-63.2-42.2178.7-171.973.2000111.9Q221 K222 A223 L227 S228Q221-H225 WeakPolarHBondContact O-CB 3.49Å; Q221-H225 PolarHBondContact O-N 2.82Å; K222-H225 PolarHBondContact O-N 3.25Å; A223-H225 PolarHBondContact O-N 3.49Å; H225-L227 PolarHBondContact O-N 3.09Å; H225-S228 VanDerWaalsContact O-CB 3.26Å; H225-S228 WeakPolarHBondContact O-CB 3.34Å; H225-S228 PolarHBondContact O-N 3.48Å; H225-S228 PolarHBondContact O-OG 2.91Å
226T97.1Very high95.6Very high27 Ų2744.6 Ų44.617%0.16625%0.249CC..Hα-helixtrans-56.1-36.1175.7-62.10000112.2R178 E181 A182 K222 A223 D224R178-T226 HydrophobicContact CB-CG2 4.2Å; R178-T226 HydrophobicContact CG-CG2 4.49Å; R178-T226 VanDerWaalsContact O-CG2 3.22Å; R178-T226 WeakPolarHBondContact O-CG2 3.42Å; E181-T226 HydrophobicContact CB-CG2 4.19Å; E181-T226 HydrophobicContact CG-CG2 4.2Å; A182-T226 HydrophobicContact CB-CG2 4.29Å; K222-T226 PolarHBondContact O-N 2.91Å; K222-T226 PolarHBondContact O-OG1 3.24Å; A223-T226 PolarHBondContact O-N 3.49Å; D224-T226 PolarHBondContact O-N 2.94Å
227L95.9Very high95.5Very high0 Ų044.7 Ų44.70%025%0.25CC..Hα-helixtrans-88-5.7179.9-60.6175.8000113.7L179 A182 A223 D224 H225 S229 L230 W238 R239 L242L179-L227 HydrophobicContact CD1-CD2 4.36Å; A182-L227 HydrophobicContact CB-CD1 3.98Å; A182-L227 HydrophobicContact CB-CD2 3.58Å; A182-L227 HydrophobicContact CB-CG 3.69Å; A223-L227 WeakPolarHBondContact O-CG 3.31Å; A223-L227 PolarHBondContact O-N 2.71Å; D224-L227 PolarHBondContact O-N 2.93Å; H225-L227 PolarHBondContact O-N 3.09Å; L227-S229 PolarHBondContact O-N 3.37Å; L227-L230 HydrophobicContact CB-CD1 4.16Å; L227-L230 HydrophobicContact CD2-CD1 3.51Å; L227-L230 HydrophobicContact CG-CD1 4.43Å; L227-L230 WeakPolarHBondContact O-CB 3.44Å; L227-L230 PolarHBondContact O-N 2.84Å; L227-L230 VanDerWaalsContact O-N 3.12Å; L227-W238 HydrophobicContact CD1-CD2 3.51Å; L227-W238 HydrophobicContact CD1-CE3 3.39Å; L227-W238 HydrophobicContact CD1-CG 4.19Å; L227-W238 HydrophobicContact CD1-CH2 3.93Å; L227-W238 HydrophobicContact CD1-CZ2 4.03Å; L227-W238 HydrophobicContact CD1-CZ3 3.62Å; L227-W238 HydrophobicContact CD2-CE3 4.21Å; L227-W238 HydrophobicContact CD2-CH2 4.22Å; L227-W238 HydrophobicContact CD2-CZ3 3.75Å; L227-W238 HydrophobicContact CG-CE3 4.46Å; L227-W238 HydrophobicContact CG-CZ3 4.35Å; L227-R239 HydrophobicContact CB-CG 3.92Å; L227-R239 HydrophobicContact CD1-CG 4.37Å; L227-L242 HydrophobicContact CD1-CD1 3.63Å
228S94.3Very high95.5Very high49 Ų4944.7 Ų44.734%0.34325%0.249SC..THydrogen-bonded Turntrans-65.4-23.5-169.567.20000115.1D224 H225D224-S228 PolarHBondContact O-N 2.9Å; D224-S228 VanDerWaalsContact O-N 3.13Å; H225-S228 VanDerWaalsContact O-CB 3.26Å; H225-S228 WeakPolarHBondContact O-CB 3.34Å; H225-S228 PolarHBondContact O-N 3.48Å; H225-S228 PolarHBondContact O-OG 2.91Å
229S93.8Very high95.4Very high64 Ų6445.8 Ų45.845%0.44825%0.25SS..THydrogen-bonded Turntrans-89.2-0.4178.862.60000114.5R178 L227R178-S229 VanDerWaalsContact CD-OG 3.27Å; R178-S229 WeakPolarHBondContact CD-OG 3.42Å; R178-S229 PolarHBondContact NH1-OG 2.92Å; L227-S229 PolarHBondContact O-N 3.37Å
230L93.9Very high95.3Very high6 Ų646.8 Ų46.83%0.03126%0.255CS..SBendtrans-82.7158.4175.7-61.7175.9000111.1K171 E176 L179 L227 Y234K171-L230 HydrophobicContact CG-CD2 4.5Å; E176-L230 VanDerWaalsContact OE1-CD2 3.27Å; E176-L230 WeakPolarHBondContact OE1-CD2 3.07Å; L179-L230 HydrophobicContact CD1-CD1 3.47Å; L179-L230 VanDerWaalsContact CD1-CD1 3.47Å; L179-L230 HydrophobicContact CD1-CD2 4.26Å; L227-L230 HydrophobicContact CB-CD1 4.16Å; L227-L230 HydrophobicContact CD2-CD1 3.51Å; L227-L230 HydrophobicContact CG-CD1 4.43Å; L227-L230 WeakPolarHBondContact O-CB 3.44Å; L227-L230 PolarHBondContact O-N 2.84Å; L227-L230 VanDerWaalsContact O-N 3.12Å; L230-Y234 HydrophobicContact CB-CE2 3.88Å; L230-Y234 HydrophobicContact CD1-CE2 4.37Å; L230-Y234 HydrophobicContact CD2-CE2 4.45Å; L230-Y234 HydrophobicContact CG-CE2 4.47Å
231E92.3Very high95.3Very high95 Ų9546.8 Ų46.844%0.44426%0.255SS..  trans-63134.2177.5-59.4-57.7142.400110.7K171 A233 Y234 S235K171-E231 IonicContact NZ-OE1 3.53Å; K171-E231 PolarHBondContact NZ-OE1 2.83Å; E231-A233 PolarHBondContact O-N 2.77Å; E231-Y234 HydrophobicContact CB-CD1 4.06Å; E231-Y234 HydrophobicContact CB-CE1 3.46Å; E231-Y234 VanDerWaalsContact CB-CE1 3.46Å; E231-Y234 HydrophobicContact CG-CE1 3.85Å; E231-Y234 PolarHBondContact N-OH 2.94Å; E231-Y234 PolarHBondContact O-N 2.89Å; E231-S235 WeakPolarHBondContact O-CB 3.5Å; E231-S235 PolarHBondContact O-N 2.9Å; E231-S235 PolarHBondContact O-OG 3.02Å
232P92.3Very high95.2Very high84 Ų8441.8 Ų41.855%0.54523%0.231SC..Hα-helixtrans-58.7-29.8178.6-26.935.3000113.6Y234 S235 A236P232-Y234 PolarHBondContact O-N 3.08Å; P232-Y234 VanDerWaalsContact O-N 3.15Å; P232-S235 PolarHBondContact O-N 3.21Å; P232-A236 HydrophobicContact CB-CB 4.49Å; P232-A236 WeakPolarHBondContact O-CB 3.42Å; P232-A236 PolarHBondContact O-N 2.98Å
233A90.9Very high95.2Very high91 Ų9138.7 Ų38.775%0.75222%0.218SC*.Hα-helixtrans-54.4-36.7-175.600000113.7E231E231-A233 PolarHBondContact O-N 2.77Å
234Y91.1Very high95.1Very high31 Ų3138.7 Ų38.712%0.12222%0.218CC..Hα-helixtrans-113.7-15-179.557.9-107.6000114.1L96 L230 E231 P232L96-Y234 HydrophobicContact CB-CD2 3.92Å; L96-Y234 HydrophobicContact CB-CG 4.43Å; L96-Y234 HydrophobicContact CD1-CD2 3.87Å; L96-Y234 HydrophobicContact CD1-CE2 4.32Å; L96-Y234 WeakPolarHBondContact O-CB 3.31Å; L230-Y234 HydrophobicContact CB-CE2 3.88Å; L230-Y234 HydrophobicContact CD1-CE2 4.37Å; L230-Y234 HydrophobicContact CD2-CE2 4.45Å; L230-Y234 HydrophobicContact CG-CE2 4.47Å; E231-Y234 HydrophobicContact CB-CD1 4.06Å; E231-Y234 HydrophobicContact CB-CE1 3.46Å; E231-Y234 VanDerWaalsContact CB-CE1 3.46Å; E231-Y234 HydrophobicContact CG-CE1 3.85Å; E231-Y234 PolarHBondContact N-OH 2.94Å; E231-Y234 PolarHBondContact O-N 2.89Å; P232-Y234 PolarHBondContact O-N 3.08Å; P232-Y234 VanDerWaalsContact O-N 3.15Å
235S94Very high95.1Very high0 Ų037.7 Ų37.70%021%0.213CC..Hα-helixtrans-103.1-21.8-176.767.30000114.5E231 P232 K237 W238 R239E231-S235 WeakPolarHBondContact O-CB 3.5Å; E231-S235 PolarHBondContact O-N 2.9Å; E231-S235 PolarHBondContact O-OG 3.02Å; P232-S235 PolarHBondContact O-N 3.21Å; S235-K237 PolarHBondContact O-N 3.18Å; S235-W238 PolarHBondContact O-N 2.99Å; S235-R239 WeakPolarHBondContact O-CG 3.34Å; S235-R239 PolarHBondContact O-N 2.91Å
236A94.7Very high95.1Very high28 Ų2832.5 Ų32.523%0.23119%0.189CC..Hα-helixtrans-58.2-43.7-168.600000113.3P232 W238 R239 K240 T294P232-A236 HydrophobicContact CB-CB 4.49Å; P232-A236 WeakPolarHBondContact O-CB 3.42Å; P232-A236 PolarHBondContact O-N 2.98Å; A236-W238 PolarHBondContact O-N 2.93Å; A236-R239 PolarHBondContact O-N 2.82Å; A236-K240 VanDerWaalsContact O-CG 3.3Å; A236-K240 WeakPolarHBondContact O-CG 3.37Å; A236-K240 PolarHBondContact O-N 2.9Å; A236-T294 HydrophobicContact CB-CG2 4.11Å
237K94.9Very high95.2Very high3 Ų331.3 Ų31.31%0.01318%0.182CC..Hα-helixtrans-62.4-43.5-178.9-169.5175.5177.7-176.20112.3S235 K240 Y241 Y291 T294 G296 P297 G298 P299S235-K237 PolarHBondContact O-N 3.18Å; K237-K240 PolarHBondContact O-N 3.14Å; K237-Y241 PolarHBondContact O-N 2.73Å; K237-Y291 HydrophobicContact CG-CD2 4.1Å; K237-Y291 HydrophobicContact CG-CE2 3.74Å; K237-Y291 WeakPolarHBondContact O-CD2 3.43Å; K237-T294 HydrophobicContact CB-CG2 3.85Å; K237-T294 WeakPolarHBondContact CD-O 3.35Å; K237-T294 HydrophobicContact CG-CG2 4.42Å; K237-G296 PolarHBondContact NZ-O 3Å; K237-P297 WeakPolarHBondContact CD-O 3.08Å; K237-G298 PolarHBondContact NZ-O 2.83Å; K237-P299 PolarHBondContact NZ-O 3.04Å
238W96.6Very high95.2Very high0 Ų031.4 Ų31.40%018%0.182CC..Hα-helixtrans-65.5-44.9177.6-174.915.8000111H6 L96 L179 A182 Y183 L227 S235 A236 K240 Y241 L242H6-W238 AromaticContact CD2-CD1 3.71Å; L96-W238 HydrophobicContact CD1-CE3 4.03Å; L96-W238 HydrophobicContact CD1-CZ3 4.19Å; L96-W238 HydrophobicContact CD2-CE3 3.97Å; L179-W238 HydrophobicContact CG-CZ3 4.33Å; A182-W238 HydrophobicContact CB-CH2 3.76Å; A182-W238 HydrophobicContact CB-CZ2 4.09Å; Y183-W238 HydrophobicContact CD1-CH2 4.36Å; Y183-W238 HydrophobicContact CD1-CZ2 4.32Å; Y183-W238 AromaticContact CD2-CH2 3.77Å; Y183-W238 HydrophobicContact CD2-CH2 3.77Å; Y183-W238 HydrophobicContact CD2-CZ2 4.49Å; Y183-W238 HydrophobicContact CE1-CH2 4.25Å; Y183-W238 HydrophobicContact CE1-CZ2 4.24Å; Y183-W238 AromaticContact CE2-CH2 3.61Å; Y183-W238 HydrophobicContact CE2-CH2 3.61Å; Y183-W238 HydrophobicContact CE2-CZ2 4.4Å; Y183-W238 HydrophobicContact CE2-CZ3 4.09Å; Y183-W238 HydrophobicContact CG-CH2 4.14Å; Y183-W238 HydrophobicContact CG-CZ2 4.45Å; Y183-W238 AromaticContact CZ-CH2 3.88Å; L227-W238 HydrophobicContact CD1-CD2 3.51Å; L227-W238 HydrophobicContact CD1-CE3 3.39Å; L227-W238 HydrophobicContact CD1-CG 4.19Å; L227-W238 HydrophobicContact CD1-CH2 3.93Å; L227-W238 HydrophobicContact CD1-CZ2 4.03Å; L227-W238 HydrophobicContact CD1-CZ3 3.62Å; L227-W238 HydrophobicContact CD2-CE3 4.21Å; L227-W238 HydrophobicContact CD2-CH2 4.22Å; L227-W238 HydrophobicContact CD2-CZ3 3.75Å; L227-W238 HydrophobicContact CG-CE3 4.46Å; L227-W238 HydrophobicContact CG-CZ3 4.35Å; S235-W238 PolarHBondContact O-N 2.99Å; A236-W238 PolarHBondContact O-N 2.93Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 3.38Å; W238-Y241 WeakPolarHBondContact O-CB 3.02Å; W238-Y241 PolarHBondContact O-N 2.69Å; W238-L242 WeakPolarHBondContact O-CG 3.39Å; W238-L242 PolarHBondContact O-N 3.21Å
239R96.8Very high95.3Very high69 Ų6929.4 Ų29.426%0.2617%0.167SC..Hα-helixtrans-59.6-38.8174.7-71.5-169.364.2-153.7-7113.4D224 L227 S235 A236 Y241 L242 H243D224-R239 WeakPolarHBondContact OD1-CB 3.41Å; D224-R239 VanDerWaalsContact OD1-CG 3.31Å; D224-R239 WeakPolarHBondContact OD1-CG 3.25Å; D224-R239 IonicContact OD1-CZ 2.73Å; D224-R239 IonicContact OD1-NE 3.79Å; D224-R239 PolarHBondContact OD1-NE 2.99Å; D224-R239 IonicContact OD1-NH2 3.69Å; D224-R239 PolarHBondContact OD1-NH2 3.19Å; D224-R239 IonicContact OD2-NH2 2.64Å; D224-R239 PolarHBondContact OD2-NH2 3.08Å; L227-R239 HydrophobicContact CB-CG 3.92Å; L227-R239 HydrophobicContact CD1-CG 4.37Å; S235-R239 WeakPolarHBondContact O-CG 3.34Å; S235-R239 PolarHBondContact O-N 2.91Å; A236-R239 PolarHBondContact O-N 2.82Å; R239-Y241 VanDerWaalsContact C-N 3.32Å; R239-Y241 PolarHBondContact O-N 3.14Å; R239-L242 PolarHBondContact O-N 3.3Å; R239-H243 WeakPolarHBondContact O-CB 3.21Å; R239-H243 PolarHBondContact O-N 3.43Å
240K95.8Very high95.5Very high61 Ų6127.5 Ų27.527%0.26515%0.153SC..Hα-helixtrans-61.4-39.4173.3-70.1-65.9179.6-178.50112A236 K237 W238 L244 L287 E290 Y291A236-K240 VanDerWaalsContact O-CG 3.3Å; A236-K240 WeakPolarHBondContact O-CG 3.37Å; A236-K240 PolarHBondContact O-N 2.9Å; K237-K240 PolarHBondContact O-N 3.14Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 3.38Å; K240-L244 WeakPolarHBondContact O-CB 3.3Å; K240-L244 PolarHBondContact O-N 3.5Å; K240-L287 HydrophobicContact CD-CD2 4.17Å; K240-E290 HydrophobicContact CD-CB 4.34Å; K240-E290 WeakPolarHBondContact CE-OE2 3.45Å; K240-E290 IonicContact NZ-OE2 3.32Å; K240-E290 PolarHBondContact NZ-OE2 3.17Å; K240-Y291 HydrophobicContact CB-CD2 4.24Å
241Y96.9Very high95.7Very high0 Ų027.2 Ų27.20%015%0.151CC..Hα-helixtrans-62.7-47.1173.3161.9-100.5000112W4 H6 E190 Y220 K237 W238 R239 L244 K245W4-Y241 HydrophobicContact CE3-CD2 4.37Å; W4-Y241 HydrophobicContact CE3-CE2 4.24Å; W4-Y241 AromaticContact CH2-CD2 3.72Å; W4-Y241 HydrophobicContact CH2-CD2 3.72Å; W4-Y241 HydrophobicContact CH2-CE2 4.34Å; W4-Y241 HydrophobicContact CZ2-CD2 4.43Å; W4-Y241 AromaticContact CZ3-CD2 3.67Å; W4-Y241 HydrophobicContact CZ3-CD2 3.67Å; W4-Y241 AromaticContact CZ3-CE2 4Å; W4-Y241 HydrophobicContact CZ3-CE2 4Å; H6-Y241 HydrophobicContact CB-CD1 3.64Å; H6-Y241 HydrophobicContact CB-CD2 3.44Å; H6-Y241 VanDerWaalsContact CB-CD2 3.44Å; H6-Y241 HydrophobicContact CB-CE1 3.93Å; H6-Y241 HydrophobicContact CB-CE2 3.75Å; H6-Y241 HydrophobicContact CB-CG 3.37Å; E190-Y241 PolarHBondContact OE1-OH 2.86Å; E190-Y241 VanDerWaalsContact OE1-OH 3.12Å; Y220-Y241 HydrophobicContact CE1-CE1 4.23Å; Y220-Y241 PolarHBondContact OH-OH 3.38Å; K237-Y241 PolarHBondContact O-N 2.73Å; W238-Y241 WeakPolarHBondContact O-CB 3.02Å; W238-Y241 PolarHBondContact O-N 2.69Å; R239-Y241 VanDerWaalsContact C-N 3.32Å; R239-Y241 PolarHBondContact O-N 3.14Å; Y241-L244 WeakPolarHBondContact O-CB 3.45Å; Y241-L244 PolarHBondContact O-N 3.36Å; Y241-K245 HydrophobicContact CD2-CG 4.12Å; Y241-K245 HydrophobicContact CE1-CG 4.48Å; Y241-K245 HydrophobicContact CE2-CD 4.26Å; Y241-K245 HydrophobicContact CE2-CG 3.67Å; Y241-K245 WeakPolarHBondContact O-CG 3.11Å; Y241-K245 PolarHBondContact O-N 3.4Å
242L97.9Very high95.8Very high0 Ų023.1 Ų23.10%013%0.132CC..Hα-helixtrans-63.8-44.3179.8-62.4171.3000111.4Y220 A223 D224 L227 W238 R239 K245 M246Y220-L242 HydrophobicContact CD1-CD2 3.73Å; Y220-L242 HydrophobicContact CE1-CD2 4.14Å; A223-L242 HydrophobicContact CB-CD1 3.94Å; A223-L242 HydrophobicContact CB-CD2 4.02Å; D224-L242 HydrophobicContact CB-CB 4Å; D224-L242 HydrophobicContact CB-CD1 4.46Å; L227-L242 HydrophobicContact CD1-CD1 3.63Å; W238-L242 WeakPolarHBondContact O-CG 3.39Å; W238-L242 PolarHBondContact O-N 3.21Å; R239-L242 PolarHBondContact O-N 3.3Å; L242-K245 PolarHBondContact O-N 3.19Å; L242-M246 WeakPolarHBondContact O-CB 3.45Å; L242-M246 PolarHBondContact O-N 3.33Å
243H97.3Very high96Very high47 Ų4719.1 Ų19.122%0.21811%0.106CC..Hα-helixtrans-63.9-43.3176.1-169168.9000111.6R239 K245 M246 C247 K283 L287R239-H243 WeakPolarHBondContact O-CB 3.21Å; R239-H243 PolarHBondContact O-N 3.43Å; H243-K245 VanDerWaalsContact C-N 3.32Å; H243-K245 PolarHBondContact O-N 2.78Å; H243-M246 WeakPolarHBondContact CD2-CE 3.36Å; H243-M246 PolarHBondContact O-N 3.09Å; H243-C247 PolarHBondContact O-N 2.92Å; H243-K283 WeakPolarHBondContact NE2-CE 3.2Å; H243-K283 PolarHBondContact NE2-NZ 2.98Å; H243-L287 HydrophobicContact CB-CD1 4.34Å
244L96.3Very high96.3Very high0 Ų016.2 Ų16.20%08%0.076CC..Hα-helixtrans-54.6-51.2174.1176.4173000110.3W4 K240 Y241 C247 F248 L287 C288 P303W4-L244 HydrophobicContact CZ3-CD1 4.11Å; K240-L244 WeakPolarHBondContact O-CB 3.3Å; K240-L244 PolarHBondContact O-N 3.5Å; Y241-L244 WeakPolarHBondContact O-CB 3.45Å; Y241-L244 PolarHBondContact O-N 3.36Å; L244-C247 PolarHBondContact O-N 3.2Å; L244-F248 VanDerWaalsContact O-CB 3.27Å; L244-F248 WeakPolarHBondContact O-CB 3.49Å; L244-F248 PolarHBondContact O-N 3.48Å; L244-L287 HydrophobicContact CB-CB 4.02Å; L244-L287 HydrophobicContact CG-CB 4.47Å; L244-C288 HydrophobicContact CD1-CB 4.22Å; L244-C288 WeakPolarHBondContact CD1-SG 3.48Å; L244-P303 HydrophobicContact CD1-CG 3.89Å
245K97.6Very high96.6Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-64.7-40.1-179.1-75.5-72.3-169.1156.10112.3W4 E193 Y220 Y241 L242 H243 F248 Y249W4-K245 VanDerWaalsContact O-CE 3.23Å; W4-K245 WeakPolarHBondContact O-CE 3.32Å; W4-K245 PolarHBondContact O-NZ 2.92Å; E193-K245 WeakPolarHBondContact OE1-CD 3.32Å; E193-K245 WeakPolarHBondContact OE1-CE 3.36Å; E193-K245 IonicContact OE1-NZ 2.65Å; E193-K245 PolarHBondContact OE1-NZ 3.36Å; E193-K245 IonicContact OE2-NZ 3.29Å; E193-K245 PolarHBondContact OE2-NZ 3.22Å; Y220-K245 HydrophobicContact CD1-CB 3.72Å; Y220-K245 HydrophobicContact CD1-CG 4.43Å; Y220-K245 HydrophobicContact CD2-CB 3.57Å; Y220-K245 HydrophobicContact CE1-CB 3.77Å; Y220-K245 HydrophobicContact CE1-CG 4.01Å; Y220-K245 HydrophobicContact CE2-CB 3.6Å; Y220-K245 HydrophobicContact CE2-CD 4.24Å; Y220-K245 HydrophobicContact CE2-CG 4.15Å; Y220-K245 HydrophobicContact CG-CB 3.63Å; Y241-K245 HydrophobicContact CD2-CG 4.12Å; Y241-K245 HydrophobicContact CE1-CG 4.48Å; Y241-K245 HydrophobicContact CE2-CD 4.26Å; Y241-K245 HydrophobicContact CE2-CG 3.67Å; Y241-K245 WeakPolarHBondContact O-CG 3.11Å; Y241-K245 PolarHBondContact O-N 3.4Å; L242-K245 PolarHBondContact O-N 3.19Å; H243-K245 VanDerWaalsContact C-N 3.32Å; H243-K245 PolarHBondContact O-N 2.78Å; K245-F248 PolarHBondContact O-N 3.39Å; K245-Y249 HydrophobicContact CD-CD2 4.46Å; K245-Y249 HydrophobicContact CD-CE2 4.07Å; K245-Y249 WeakPolarHBondContact O-CD2 3.45Å; K245-Y249 PolarHBondContact O-N 2.96Å
246M97.8Very high96.7Very high27 Ų2715.7 Ų15.713%0.1337%0.074CC..Hα-helixtrans-54.7-57.9172175.4-167.855.300110.4Q221 L242 H243 F248 Y249 T250Q221-M246 HydrophobicContact CB-CG 4.05Å; Q221-M246 HydrophobicContact CB-SD 3.51Å; Q221-M246 VanDerWaalsContact CB-SD 3.51Å; Q221-M246 HydrophobicContact CG-SD 3.58Å; Q221-M246 VanDerWaalsContact CG-SD 3.58Å; L242-M246 WeakPolarHBondContact O-CB 3.45Å; L242-M246 PolarHBondContact O-N 3.33Å; H243-M246 WeakPolarHBondContact CD2-CE 3.36Å; H243-M246 PolarHBondContact O-N 3.09Å; M246-F248 VanDerWaalsContact C-N 3.28Å; M246-F248 PolarHBondContact O-N 3.48Å; M246-Y249 PolarHBondContact O-N 3.09Å; M246-T250 PolarHBondContact O-N 2.9Å; M246-T250 PolarHBondContact O-OG1 2.88Å
247C97.4Very high96.8Very high2 Ų215.8 Ų15.81%0.0147%0.07CC..Hα-helixtrans-59.7-39.3-179.6-70.80000112.6H243 L244 T250 A251 A284 L287H243-C247 PolarHBondContact O-N 2.92Å; L244-C247 PolarHBondContact O-N 3.2Å; C247-T250 PolarHBondContact O-N 2.8Å; C247-A251 WeakPolarHBondContact O-CB 3.44Å; C247-A251 PolarHBondContact O-N 3.37Å; C247-A284 HydrophobicContact CB-CB 3.99Å; C247-L287 HydrophobicContact CB-CD1 4.43Å
248F96.7Very high96.8Very high2 Ų215.7 Ų15.71%0.0097%0.069CC..Hα-helixtrans-62.5-45.3177.9-175.8-96000112.3L244 K245 M246 A251 Y252 A284 F308 F309 L312L244-F248 VanDerWaalsContact O-CB 3.27Å; L244-F248 WeakPolarHBondContact O-CB 3.49Å; L244-F248 PolarHBondContact O-N 3.48Å; K245-F248 PolarHBondContact O-N 3.39Å; M246-F248 VanDerWaalsContact C-N 3.28Å; M246-F248 PolarHBondContact O-N 3.48Å; F248-A251 WeakPolarHBondContact O-CB 3.05Å; F248-A251 PolarHBondContact O-N 3.36Å; F248-Y252 HydrophobicContact CD1-CD2 4.11Å; F248-Y252 HydrophobicContact CD1-CE2 4.35Å; F248-Y252 AromaticContact CE1-CD2 3.68Å; F248-Y252 HydrophobicContact CE1-CD2 3.68Å; F248-Y252 AromaticContact CE1-CE2 3.47Å; F248-Y252 HydrophobicContact CE1-CE2 3.47Å; F248-Y252 VanDerWaalsContact CE1-CE2 3.47Å; F248-Y252 HydrophobicContact CZ-CD2 4.17Å; F248-Y252 AromaticContact CZ-CE2 3.67Å; F248-Y252 HydrophobicContact CZ-CE2 3.67Å; F248-Y252 PolarHBondContact O-N 3.33Å; F248-Y252 VanDerWaalsContact O-N 3.1Å; F248-A284 HydrophobicContact CB-CB 4.33Å; F248-F308 AromaticContact CE1-CD2 3.93Å; F248-F308 HydrophobicContact CE1-CD2 3.93Å; F248-F308 HydrophobicContact CE1-CE2 4.19Å; F248-F308 HydrophobicContact CE2-CD2 4.2Å; F248-F308 HydrophobicContact CE2-CE2 4.15Å; F248-F308 AromaticContact CZ-CD2 3.63Å; F248-F308 HydrophobicContact CZ-CD2 3.63Å; F248-F308 AromaticContact CZ-CE2 3.97Å; F248-F308 HydrophobicContact CZ-CE2 3.97Å; F248-F309 AromaticContact CD2-CD2 3.71Å; F248-F309 HydrophobicContact CD2-CD2 3.71Å; F248-F309 AromaticContact CD2-CE2 3.76Å; F248-F309 HydrophobicContact CD2-CE2 3.76Å; F248-F309 AromaticContact CE2-CD2 3.69Å; F248-F309 HydrophobicContact CE2-CD2 3.69Å; F248-F309 HydrophobicContact CE2-CE2 4.14Å; F248-F309 HydrophobicContact CE2-CG 4.3Å; F248-L312 HydrophobicContact CD1-CD2 4.26Å; F248-L312 HydrophobicContact CD2-CD2 3.51Å; F248-L312 HydrophobicContact CE1-CD2 4.09Å; F248-L312 HydrophobicContact CE2-CB 3.69Å; F248-L312 HydrophobicContact CE2-CD2 3.29Å; F248-L312 HydrophobicContact CE2-CG 4.11Å; F248-L312 HydrophobicContact CG-CD2 4Å; F248-L312 HydrophobicContact CZ-CB 3.72Å; F248-L312 HydrophobicContact CZ-CD2 3.61Å; F248-L312 HydrophobicContact CZ-CG 4.31Å; F248-L312 WeakPolarHBondContact O-CD2 3.36Å
249Y97.4Very high96.7Very high7 Ų718.2 Ų18.23%0.0278%0.081CC..Hα-helixtrans-77-28.9179.1-82.6-73.7000113.3E193 I196 A213 T216 Y220 K245 M246 A251 Y252 A253E193-Y249 VanDerWaalsContact CB-OH 3.27Å; E193-Y249 WeakPolarHBondContact CB-OH 3.35Å; E193-Y249 VanDerWaalsContact CD-CZ 3.45Å; E193-Y249 HydrophobicContact CG-CE1 4.26Å; E193-Y249 HydrophobicContact CG-CE2 3.59Å; E193-Y249 WeakPolarHBondContact CG-OH 3.47Å; E193-Y249 VanDerWaalsContact OE1-CE2 3.27Å; E193-Y249 WeakPolarHBondContact OE1-CE2 3.41Å; E193-Y249 PolarHBondContact OE2-OH 3.04Å; I196-Y249 HydrophobicContact CD1-CD1 3.8Å; I196-Y249 HydrophobicContact CD1-CE1 3.64Å; A213-Y249 HydrophobicContact CB-CD1 4.38Å; T216-Y249 HydrophobicContact CG2-CD1 3.84Å; T216-Y249 HydrophobicContact CG2-CD2 3.71Å; T216-Y249 HydrophobicContact CG2-CE1 4.23Å; T216-Y249 HydrophobicContact CG2-CE2 4.13Å; T216-Y249 HydrophobicContact CG2-CG 3.59Å; Y220-Y249 HydrophobicContact CD2-CD2 4.16Å; Y220-Y249 AromaticContact CE2-CD2 3.89Å; Y220-Y249 HydrophobicContact CE2-CD2 3.89Å; Y220-Y249 HydrophobicContact CE2-CE2 4.12Å; K245-Y249 HydrophobicContact CD-CD2 4.46Å; K245-Y249 HydrophobicContact CD-CE2 4.07Å; K245-Y249 WeakPolarHBondContact O-CD2 3.45Å; K245-Y249 PolarHBondContact O-N 2.96Å; M246-Y249 PolarHBondContact O-N 3.09Å; Y249-A251 VanDerWaalsContact C-N 3.33Å; Y249-Y252 HydrophobicContact CD1-CD2 4.33Å; Y249-Y252 HydrophobicContact CE1-CD2 4.27Å; Y249-Y252 WeakPolarHBondContact O-CB 3.42Å; Y249-Y252 PolarHBondContact O-N 3.48Å; Y249-A253 PolarHBondContact O-N 2.92Å
250T97.4Very high96.6Very high24 Ų2416.8 Ų16.815%0.1478%0.08CC..Hα-helixtrans-64.7-39.2168.6-45.90000111A217 M246 C247 A253 Y254 L280A217-T250 WeakPolarHBondContact CB-OG1 3.37Å; M246-T250 PolarHBondContact O-N 2.9Å; M246-T250 PolarHBondContact O-OG1 2.88Å; C247-T250 PolarHBondContact O-N 2.8Å; T250-A253 WeakPolarHBondContact O-CB 3.46Å; T250-A253 PolarHBondContact O-N 3.48Å; T250-Y254 HydrophobicContact CG2-CD2 3.93Å; T250-Y254 HydrophobicContact CG2-CE2 3.72Å; T250-Y254 VanDerWaalsContact O-CD2 3.32Å; T250-Y254 WeakPolarHBondContact O-CD2 3.43Å; T250-Y254 PolarHBondContact O-N 3.19Å; T250-L280 HydrophobicContact CG2-CD1 3.46Å; T250-L280 VanDerWaalsContact CG2-CD1 3.46Å
251A97.1Very high96.6Very high0 Ų014.5 Ų14.50%07%0.07CC..Hα-helixtrans-62.5-41.1173.200000112C247 F248 Y249 A253 Y254 C255 A277 L280 L312C247-A251 WeakPolarHBondContact O-CB 3.44Å; C247-A251 PolarHBondContact O-N 3.37Å; F248-A251 WeakPolarHBondContact O-CB 3.05Å; F248-A251 PolarHBondContact O-N 3.36Å; Y249-A251 VanDerWaalsContact C-N 3.33Å; A251-A253 VanDerWaalsContact C-N 3.33Å; A251-A253 PolarHBondContact O-N 3.14Å; A251-Y254 PolarHBondContact O-N 2.95Å; A251-C255 WeakPolarHBondContact O-CB 3.26Å; A251-C255 PolarHBondContact O-N 3.27Å; A251-A277 WeakPolarHBondContact CB-O 3.5Å; A251-A277 WeakPolarHBondContact O-CB 3.5Å; A251-L280 HydrophobicContact CB-CB 3.93Å; A251-L312 HydrophobicContact CB-CD2 4.18Å
252Y95.3Very high96.4Very high9 Ų915 Ų154%0.0357%0.073CC..Hα-helixtrans-58-43.9170.9-106.8-69.7000112.4I200 F248 Y249 C255 Y256 L312 L315I200-Y252 HydrophobicContact CD1-CE1 4.26Å; F248-Y252 HydrophobicContact CD1-CD2 4.11Å; F248-Y252 HydrophobicContact CD1-CE2 4.35Å; F248-Y252 AromaticContact CE1-CD2 3.68Å; F248-Y252 HydrophobicContact CE1-CD2 3.68Å; F248-Y252 AromaticContact CE1-CE2 3.47Å; F248-Y252 HydrophobicContact CE1-CE2 3.47Å; F248-Y252 VanDerWaalsContact CE1-CE2 3.47Å; F248-Y252 HydrophobicContact CZ-CD2 4.17Å; F248-Y252 AromaticContact CZ-CE2 3.67Å; F248-Y252 HydrophobicContact CZ-CE2 3.67Å; F248-Y252 PolarHBondContact O-N 3.33Å; F248-Y252 VanDerWaalsContact O-N 3.1Å; Y249-Y252 HydrophobicContact CD1-CD2 4.33Å; Y249-Y252 HydrophobicContact CE1-CD2 4.27Å; Y249-Y252 WeakPolarHBondContact O-CB 3.42Å; Y249-Y252 PolarHBondContact O-N 3.48Å; Y252-C255 WeakPolarHBondContact O-CB 3.45Å; Y252-C255 PolarHBondContact O-N 2.79Å; Y252-Y256 AromaticContact CD1-CD2 3.99Å; Y252-Y256 HydrophobicContact CD1-CD2 3.99Å; Y252-Y256 AromaticContact CD1-CE2 3.69Å; Y252-Y256 HydrophobicContact CD1-CE2 3.69Å; Y252-Y256 AromaticContact CE1-CE2 3.84Å; Y252-Y256 HydrophobicContact CE1-CE2 3.84Å; Y252-Y256 PolarHBondContact O-N 3.39Å; Y252-Y256 VanDerWaalsContact O-N 3.12Å; Y252-L312 HydrophobicContact CD1-CD1 3.89Å; Y252-L312 HydrophobicContact CD2-CB 4.45Å; Y252-L312 HydrophobicContact CD2-CD1 3.67Å; Y252-L312 HydrophobicContact CD2-CD2 3.57Å; Y252-L312 HydrophobicContact CD2-CG 4.09Å; Y252-L312 HydrophobicContact CE1-CD1 3.92Å; Y252-L312 HydrophobicContact CE2-CB 3.84Å; Y252-L312 HydrophobicContact CE2-CD1 3.7Å; Y252-L312 HydrophobicContact CE2-CD2 3.81Å; Y252-L312 HydrophobicContact CE2-CG 3.97Å; Y252-L312 HydrophobicContact CG-CD1 3.76Å; Y252-L312 HydrophobicContact CG-CD2 4.3Å; Y252-L315 HydrophobicContact CE1-CD2 4.08Å
253A96.9Very high96.2Very high0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-61.4-50179.800000111.3A213 Y214 Y249 T250 A251 C255 Y256 H257 L342A213-A253 HydrophobicContact CB-CB 4.07Å; Y214-A253 HydrophobicContact CD2-CB 4.41Å; Y249-A253 PolarHBondContact O-N 2.92Å; T250-A253 WeakPolarHBondContact O-CB 3.46Å; T250-A253 PolarHBondContact O-N 3.48Å; A251-A253 VanDerWaalsContact C-N 3.33Å; A251-A253 PolarHBondContact O-N 3.14Å; A253-C255 VanDerWaalsContact C-N 3.26Å; A253-C255 PolarHBondContact O-N 3.35Å; A253-Y256 PolarHBondContact O-N 2.96Å; A253-H257 WeakPolarHBondContact O-CB 3.31Å; A253-H257 PolarHBondContact O-N 2.94Å; A253-L342 HydrophobicContact CB-CD1 3.94Å
254Y97.6Very high96.1Very high30 Ų3019.9 Ų19.912%0.11812%0.117CC..Hα-helixtrans-62.2-32.7175.3-81-63.8000113.2T250 A251 G258 S273 E276 L280 P340 L342T250-Y254 HydrophobicContact CG2-CD2 3.93Å; T250-Y254 HydrophobicContact CG2-CE2 3.72Å; T250-Y254 VanDerWaalsContact O-CD2 3.32Å; T250-Y254 WeakPolarHBondContact O-CD2 3.43Å; T250-Y254 PolarHBondContact O-N 3.19Å; A251-Y254 PolarHBondContact O-N 2.95Å; Y254-G258 PolarHBondContact O-N 2.86Å; Y254-S273 PolarHBondContact O-OG 2.75Å; Y254-E276 HydrophobicContact CD1-CB 4.35Å; Y254-E276 HydrophobicContact CD2-CB 4.38Å; Y254-E276 HydrophobicContact CD2-CG 4.31Å; Y254-E276 HydrophobicContact CE1-CB 4.43Å; Y254-E276 HydrophobicContact CE1-CG 4.43Å; Y254-E276 HydrophobicContact CE2-CB 4.45Å; Y254-E276 HydrophobicContact CE2-CG 3.96Å; Y254-E276 HydrophobicContact CG-CB 4.33Å; Y254-L280 HydrophobicContact CD2-CD1 3.53Å; Y254-L280 HydrophobicContact CE2-CD1 3.59Å; Y254-P340 HydrophobicContact CD1-CG 4.24Å; Y254-P340 HydrophobicContact CE1-CG 3.97Å; Y254-P340 VanDerWaalsContact CE1-O 3.31Å; Y254-P340 WeakPolarHBondContact CE1-O 3.41Å; Y254-P340 PolarHBondContact OH-O 3.3Å; Y254-P340 VanDerWaalsContact OH-O 3.12Å; Y254-L342 HydrophobicContact CD1-CD1 3.88Å; Y254-L342 HydrophobicContact CD1-CD2 4.03Å; Y254-L342 HydrophobicContact CD1-CG 4.06Å; Y254-L342 HydrophobicContact CD2-CD1 3.86Å; Y254-L342 HydrophobicContact CE1-CD1 3.66Å; Y254-L342 HydrophobicContact CE1-CD2 3.9Å; Y254-L342 HydrophobicContact CE1-CG 3.55Å; Y254-L342 HydrophobicContact CE2-CD1 3.66Å; Y254-L342 HydrophobicContact CE2-CG 4.35Å; Y254-L342 HydrophobicContact CG-CD1 3.96Å
255C96.5Very high96Very high0 Ų024.6 Ų24.60%014%0.142CC..Hα-helixtrans-61.6-56.6176.7-167.80000112A251 Y252 A253 H257 G258 E259 L274 V316A251-C255 WeakPolarHBondContact O-CB 3.26Å; A251-C255 PolarHBondContact O-N 3.27Å; Y252-C255 WeakPolarHBondContact O-CB 3.45Å; Y252-C255 PolarHBondContact O-N 2.79Å; A253-C255 VanDerWaalsContact C-N 3.26Å; A253-C255 PolarHBondContact O-N 3.35Å; C255-H257 VanDerWaalsContact C-N 3.34Å; C255-G258 PolarHBondContact O-N 2.93Å; C255-E259 PolarHBondContact O-N 3.15Å; C255-L274 HydrophobicContact CB-CD2 4.3Å; C255-V316 HydrophobicContact CB-CG2 4.24Å
256Y96.1Very high95.8Very high20 Ų2029 Ų298%0.07816%0.161CC..Hα-helixtrans-74-25.6179.8-79.5-80.6000113.1I200 P206 I209 Y252 A253 G258 E259 T260 L315I200-Y256 HydrophobicContact CD1-CE2 4.08Å; I200-Y256 WeakPolarHBondContact CD1-OH 3.49Å; I200-Y256 HydrophobicContact CG1-CE2 4.41Å; I200-Y256 WeakPolarHBondContact CG1-OH 3.47Å; P206-Y256 HydrophobicContact CB-CD1 3.99Å; I209-Y256 HydrophobicContact CB-CD1 3.96Å; I209-Y256 HydrophobicContact CB-CD2 4.34Å; I209-Y256 HydrophobicContact CB-CE1 4.32Å; I209-Y256 HydrophobicContact CB-CG 3.97Å; I209-Y256 HydrophobicContact CD1-CD1 4.08Å; I209-Y256 HydrophobicContact CD1-CE1 3.77Å; I209-Y256 HydrophobicContact CG2-CD1 3.87Å; I209-Y256 HydrophobicContact CG2-CD2 3.48Å; I209-Y256 VanDerWaalsContact CG2-CD2 3.48Å; I209-Y256 HydrophobicContact CG2-CE1 3.96Å; I209-Y256 HydrophobicContact CG2-CE2 3.58Å; I209-Y256 HydrophobicContact CG2-CG 3.63Å; Y252-Y256 AromaticContact CD1-CD2 3.99Å; Y252-Y256 HydrophobicContact CD1-CD2 3.99Å; Y252-Y256 AromaticContact CD1-CE2 3.69Å; Y252-Y256 HydrophobicContact CD1-CE2 3.69Å; Y252-Y256 AromaticContact CE1-CE2 3.84Å; Y252-Y256 HydrophobicContact CE1-CE2 3.84Å; Y252-Y256 PolarHBondContact O-N 3.39Å; Y252-Y256 VanDerWaalsContact O-N 3.12Å; A253-Y256 PolarHBondContact O-N 2.96Å; Y256-G258 VanDerWaalsContact C-N 3.33Å; Y256-E259 PolarHBondContact O-N 3.37Å; Y256-T260 PolarHBondContact O-N 3.49Å; Y256-T260 PolarHBondContact O-OG1 3.33Å; Y256-L315 HydrophobicContact CE2-CD2 4.01Å
257H96.2Very high95.6Very high31 Ų3127.7 Ų27.714%0.14416%0.155CC..Hα-helixtrans-65.1-40.4169.5-172.959000111A210 A253 C255 E259 T260 L261 L342A210-H257 HydrophobicContact CB-CB 4.25Å; A253-H257 WeakPolarHBondContact O-CB 3.31Å; A253-H257 PolarHBondContact O-N 2.94Å; C255-H257 VanDerWaalsContact C-N 3.34Å; H257-E259 VanDerWaalsContact C-N 3.32Å; H257-E259 PolarHBondContact O-N 2.98Å; H257-T260 WeakPolarHBondContact O-CB 3.49Å; H257-T260 PolarHBondContact O-N 3.25Å; H257-T260 VanDerWaalsContact O-N 3.08Å; H257-L261 WeakPolarHBondContact O-CG 3.47Å; H257-L261 PolarHBondContact O-N 3.08Å; H257-L342 HydrophobicContact CB-CD2 4.09Å
258G94.8Very high95.5Very high0 Ų027.6 Ų27.60%016%0.155CC..Hα-helixtrans-57.2-43.2171.800000112.6Y254 C255 Y256 T260 L261 L262 A270Y254-G258 PolarHBondContact O-N 2.86Å; C255-G258 PolarHBondContact O-N 2.93Å; Y256-G258 VanDerWaalsContact C-N 3.33Å; G258-T260 VanDerWaalsContact C-N 3.31Å; G258-T260 PolarHBondContact O-N 3.44Å; G258-L261 PolarHBondContact O-N 3.46Å; G258-L262 WeakPolarHBondContact O-CB 3.28Å; G258-L262 PolarHBondContact O-N 3.04Å; G258-A270 VanDerWaalsContact O-CB 3.28Å; G258-A270 WeakPolarHBondContact O-CB 3.48Å
259E94.5Very high95.4Very high54 Ų5431 Ų3125%0.25217%0.171SC..Hα-helixtrans-63.9-35.9174.3-67.2-167.8178.600112.9P206 C255 Y256 H257 L262 A263 T319P206-E259 HydrophobicContact CB-CB 3.92Å; P206-E259 HydrophobicContact CG-CB 4.41Å; C255-E259 PolarHBondContact O-N 3.15Å; Y256-E259 PolarHBondContact O-N 3.37Å; H257-E259 VanDerWaalsContact C-N 3.32Å; H257-E259 PolarHBondContact O-N 2.98Å; E259-L262 PolarHBondContact O-N 2.85Å; E259-A263 WeakPolarHBondContact O-CB 3.32Å; E259-A263 PolarHBondContact O-N 3.36Å; E259-T319 HydrophobicContact CG-CG2 3.76Å
260T95.3Very high95.3Very high38 Ų3830.6 Ų30.623%0.23317%0.169CC..Hα-helixtrans-67.3-42.5176.8-55.50000111.5G207 Y256 H257 G258 A263 S264G207-T260 WeakPolarHBondContact CA-OG1 3.33Å; G207-T260 PolarHBondContact N-OG1 2.94Å; Y256-T260 PolarHBondContact O-N 3.49Å; Y256-T260 PolarHBondContact O-OG1 3.33Å; H257-T260 WeakPolarHBondContact O-CB 3.49Å; H257-T260 PolarHBondContact O-N 3.25Å; H257-T260 VanDerWaalsContact O-N 3.08Å; G258-T260 VanDerWaalsContact C-N 3.31Å; G258-T260 PolarHBondContact O-N 3.44Å; T260-A263 PolarHBondContact O-N 3.07Å; T260-S264 PolarHBondContact O-N 3.15Å; T260-S264 PolarHBondContact O-OG 3.07Å
261L95.1Very high95.3Very high13 Ų1329.6 Ų29.67%0.06816%0.163CC..Hα-helixtrans-65.5-42175.5-71.3169000111.2H257 G258 A263 S264 D265 K266 E269 A270H257-L261 WeakPolarHBondContact O-CG 3.47Å; H257-L261 PolarHBondContact O-N 3.08Å; G258-L261 PolarHBondContact O-N 3.46Å; L261-A263 VanDerWaalsContact C-N 3.35Å; L261-A263 PolarHBondContact O-N 2.79Å; L261-S264 CarbonylContact O-C 3.41Å; L261-S264 WeakPolarHBondContact O-CA 3.18Å; L261-S264 WeakPolarHBondContact O-CB 3.35Å; L261-S264 PolarHBondContact O-N 3.36Å; L261-D265 PolarHBondContact O-N 3.49Å; L261-K266 HydrophobicContact CB-CB 4.3Å; L261-K266 HydrophobicContact CD2-CB 4.33Å; L261-K266 HydrophobicContact CD2-CD 3.94Å; L261-K266 WeakPolarHBondContact O-CB 3.35Å; L261-K266 PolarHBondContact O-N 3.37Å; L261-E269 HydrophobicContact CD1-CB 3.93Å; L261-E269 HydrophobicContact CD2-CB 4.36Å; L261-A270 HydrophobicContact CB-CB 3.94Å
262L93.9Very high95.3Very high10 Ų1030.6 Ų30.65%0.05217%0.167CC..Hα-helixtrans-60.7-44.9175.7-174.166000111.5G258 E259 S264 D265 C267 A270 K322 E326 Y331G258-L262 WeakPolarHBondContact O-CB 3.28Å; G258-L262 PolarHBondContact O-N 3.04Å; E259-L262 PolarHBondContact O-N 2.85Å; L262-S264 PolarHBondContact O-N 3.46Å; L262-D265 PolarHBondContact O-N 3.06Å; L262-C267 HydrophobicContact CD1-CB 4.06Å; L262-C267 VanDerWaalsContact CD1-SG 3.52Å; L262-A270 HydrophobicContact CB-CB 4.16Å; L262-K322 HydrophobicContact CD2-CD 4.39Å; L262-E326 WeakPolarHBondContact CD1-OE2 3.33Å; L262-Y331 HydrophobicContact CD1-CE2 4.29Å
263A94Very high95.3Very high80 Ų8030.2 Ų30.266%0.66117%0.165SC*.Hα-helixtrans-65.2-15.2175.500000113.6E259 T260 L261E259-A263 WeakPolarHBondContact O-CB 3.32Å; E259-A263 PolarHBondContact O-N 3.36Å; T260-A263 PolarHBondContact O-N 3.07Å; L261-A263 VanDerWaalsContact C-N 3.35Å; L261-A263 PolarHBondContact O-N 2.79Å
264S94.3Very high95.3Very high70 Ų7030.2 Ų30.249%0.4917%0.165SC..THydrogen-bonded Turntrans-100.618.3174.9-52.80000112.2T260 L261 L262 K266T260-S264 PolarHBondContact O-N 3.15Å; T260-S264 PolarHBondContact O-OG 3.07Å; L261-S264 CarbonylContact O-C 3.41Å; L261-S264 WeakPolarHBondContact O-CA 3.18Å; L261-S264 WeakPolarHBondContact O-CB 3.35Å; L261-S264 PolarHBondContact O-N 3.36Å; L262-S264 PolarHBondContact O-N 3.46Å; S264-K266 PolarHBondContact O-N 2.87Å; S264-K266 VanDerWaalsContact O-N 3.15Å
265D93.8Very high95.2Very high99 Ų9931.7 Ų31.753%0.52917%0.173SC..THydrogen-bonded Turntrans57.923.6-177.5-62-53000114.6L261 L262 Y331 Q333L261-D265 PolarHBondContact O-N 3.49Å; L262-D265 PolarHBondContact O-N 3.06Å; D265-Y331 HydrophobicContact CB-CE1 3.82Å; D265-Y331 VanDerWaalsContact OD1-CE1 3.31Å; D265-Y331 WeakPolarHBondContact OD1-CE1 3.25Å; D265-Y331 PolarHBondContact OD1-OH 3.44Å; D265-Q333 PolarHBondContact O-NE2 2.98Å
266K94.3Very high95.2Very high92 Ų9233.5 Ų33.540%0.418%0.182SC..  trans-102.858.8176.8-65.1175.9167.2-155.90111.1L261 S264 G268 E269 A270L261-K266 HydrophobicContact CB-CB 4.3Å; L261-K266 HydrophobicContact CD2-CB 4.33Å; L261-K266 HydrophobicContact CD2-CD 3.94Å; L261-K266 WeakPolarHBondContact O-CB 3.35Å; L261-K266 PolarHBondContact O-N 3.37Å; S264-K266 PolarHBondContact O-N 2.87Å; S264-K266 VanDerWaalsContact O-N 3.15Å; K266-G268 VanDerWaalsContact C-N 3.34Å; K266-G268 PolarHBondContact O-N 3.44Å; K266-E269 HydrophobicContact CB-CB 4.26Å; K266-E269 HydrophobicContact CB-CG 4.46Å; K266-E269 IonicContact NZ-OE1 2.79Å; K266-E269 IonicContact NZ-OE2 3.98Å; K266-E269 PolarHBondContact O-N 3.13Å; K266-A270 WeakPolarHBondContact O-CB 3.4Å; K266-A270 PolarHBondContact O-N 3.28Å
267C94.2Very high95.2Very high0 Ų032.5 Ų32.50%018%0.178CC..Hα-helixtrans-59.9-38.4-175.8-157.90000113.6L262 A270 I271 C323 N327 Y331L262-C267 HydrophobicContact CD1-CB 4.06Å; L262-C267 VanDerWaalsContact CD1-SG 3.52Å; C267-A270 WeakPolarHBondContact O-CB 3.16Å; C267-A270 PolarHBondContact O-N 3.31Å; C267-I271 WeakPolarHBondContact O-CG1 3.39Å; C267-I271 PolarHBondContact O-N 2.95Å; C267-C323 PolarHBondContact SG-O 2.97Å; C267-N327 HydrophobicContact CB-CB 4.43Å; C267-Y331 HydrophobicContact CB-CD1 4.27Å; C267-Y331 HydrophobicContact CB-CD2 3.41Å; C267-Y331 VanDerWaalsContact CB-CD2 3.41Å; C267-Y331 HydrophobicContact CB-CE2 4.02Å; C267-Y331 HydrophobicContact CB-CG 3.56Å
268G94.6Very high95.2Very high1 Ų136 Ų361%0.0119%0.194CC..Hα-helixtrans-62.2-44.6177.200000112.8K266 R272 P336K266-G268 VanDerWaalsContact C-N 3.34Å; K266-G268 PolarHBondContact O-N 3.44Å; G268-R272 PolarHBondContact O-N 2.85Å; G268-P336 VanDerWaalsContact O-CD 3.29Å; G268-P336 WeakPolarHBondContact O-CD 3.38Å
269E95.1Very high95.3Very high72 Ų7241.3 Ų41.334%0.33622%0.217SC..Hα-helixtrans-66.4-39174.4-63.3176.8-140.500111.2L261 K266 I271 R272 S273 P336L261-E269 HydrophobicContact CD1-CB 3.93Å; L261-E269 HydrophobicContact CD2-CB 4.36Å; K266-E269 HydrophobicContact CB-CB 4.26Å; K266-E269 HydrophobicContact CB-CG 4.46Å; K266-E269 IonicContact NZ-OE1 2.79Å; K266-E269 IonicContact NZ-OE2 3.98Å; K266-E269 PolarHBondContact O-N 3.13Å; E269-I271 PolarHBondContact O-N 3.49Å; E269-R272 PolarHBondContact O-N 2.93Å; E269-S273 PolarHBondContact O-N 3.06Å; E269-P336 HydrophobicContact CG-CG 3.93Å
270A95.3Very high95.4Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-59.8-45.3176.600000112.2G258 L261 L262 K266 C267 R272 S273 L274G258-A270 VanDerWaalsContact O-CB 3.28Å; G258-A270 WeakPolarHBondContact O-CB 3.48Å; L261-A270 HydrophobicContact CB-CB 3.94Å; L262-A270 HydrophobicContact CB-CB 4.16Å; K266-A270 WeakPolarHBondContact O-CB 3.4Å; K266-A270 PolarHBondContact O-N 3.28Å; C267-A270 WeakPolarHBondContact O-CB 3.16Å; C267-A270 PolarHBondContact O-N 3.31Å; A270-R272 VanDerWaalsContact C-N 3.32Å; A270-R272 PolarHBondContact O-N 2.96Å; A270-S273 WeakPolarHBondContact O-CB 3.36Å; A270-S273 PolarHBondContact O-N 2.84Å; A270-L274 WeakPolarHBondContact O-CG 3.35Å; A270-L274 PolarHBondContact O-N 2.8Å
271I96.6Very high95.4Very high3 Ų340.1 Ų40.12%0.01521%0.208CC..Hα-helixtrans-58.6-45.8174.8-68.5169.1000110.4C267 E269 S273 L274 Q275 L320 C323 Q324 N327 I335C267-I271 WeakPolarHBondContact O-CG1 3.39Å; C267-I271 PolarHBondContact O-N 2.95Å; E269-I271 PolarHBondContact O-N 3.49Å; I271-S273 VanDerWaalsContact C-N 3.33Å; I271-S273 PolarHBondContact O-N 3.08Å; I271-L274 PolarHBondContact O-N 2.86Å; I271-Q275 HydrophobicContact CG2-CG 4.37Å; I271-Q275 WeakPolarHBondContact O-CG 3.38Å; I271-Q275 PolarHBondContact O-N 2.91Å; I271-L320 HydrophobicContact CG2-CD1 4.12Å; I271-C323 HydrophobicContact CG1-CB 3.66Å; I271-Q324 HydrophobicContact CD1-CG 4.32Å; I271-Q324 HydrophobicContact CG1-CG 4.45Å; I271-N327 HydrophobicContact CD1-CB 3.5Å; I271-N327 VanDerWaalsContact CD1-CB 3.5Å; I271-I335 HydrophobicContact CB-CD1 4.48Å; I271-I335 HydrophobicContact CB-CG1 4.37Å; I271-I335 HydrophobicContact CD1-CD1 4.21Å; I271-I335 HydrophobicContact CD1-CG1 4.28Å; I271-I335 HydrophobicContact CG2-CD1 3.83Å; I271-I335 HydrophobicContact CG2-CG1 4.2Å; I271-I335 HydrophobicContact CG2-CG2 4.2Å
272R97.2Very high95.4Very high21 Ų2142 Ų428%0.07923%0.226CC..Hα-helixtrans-65.9-36.5-178.7-176.757-17292.4-1.8112.6G268 E269 A270 E276 I335 P336 T337 E338G268-R272 PolarHBondContact O-N 2.85Å; E269-R272 PolarHBondContact O-N 2.93Å; A270-R272 VanDerWaalsContact C-N 3.32Å; A270-R272 PolarHBondContact O-N 2.96Å; R272-E276 IonicContact CZ-OE2 2.72Å; R272-E276 IonicContact NH1-OE2 2.69Å; R272-E276 PolarHBondContact NH1-OE2 3.32Å; R272-E276 IonicContact NH2-OE2 3.27Å; R272-E276 PolarHBondContact NH2-OE2 3.35Å; R272-E276 PolarHBondContact O-N 3.43Å; R272-I335 HydrophobicContact CB-CG2 3.92Å; R272-P336 WeakPolarHBondContact CD-O 3.44Å; R272-P336 HydrophobicContact CG-CB 4.41Å; R272-P336 VanDerWaalsContact CG-O 3.3Å; R272-P336 WeakPolarHBondContact CG-O 3.36Å; R272-T337 PolarHBondContact NE-O 3.45Å; R272-T337 PolarHBondContact NH2-O 2.76Å; R272-E338 WeakPolarHBondContact CG-O 3.48Å
273S96.3Very high95.5Very high0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-58.8-47.7171.5-169.90000111.1Y254 E269 A270 I271 E276 A277Y254-S273 PolarHBondContact O-OG 2.75Å; E269-S273 PolarHBondContact O-N 3.06Å; A270-S273 WeakPolarHBondContact O-CB 3.36Å; A270-S273 PolarHBondContact O-N 2.84Å; I271-S273 VanDerWaalsContact C-N 3.33Å; I271-S273 PolarHBondContact O-N 3.08Å; S273-E276 WeakPolarHBondContact O-CB 3.16Å; S273-E276 PolarHBondContact O-N 3.04Å; S273-E276 VanDerWaalsContact O-N 3.11Å; S273-A277 PolarHBondContact O-N 2.99Å
274L95.8Very high95.5Very high0 Ų042.6 Ų42.60%021%0.213CC..Hα-helixtrans-70.6-32.3-178.9-66.9-179.7000113.8C255 A270 I271 E276 A277 E278 T319 L320 C323C255-L274 HydrophobicContact CB-CD2 4.3Å; A270-L274 WeakPolarHBondContact O-CG 3.35Å; A270-L274 PolarHBondContact O-N 2.8Å; I271-L274 PolarHBondContact O-N 2.86Å; L274-E276 PolarHBondContact O-N 3.31Å; L274-A277 WeakPolarHBondContact O-CB 3.47Å; L274-A277 PolarHBondContact O-N 3.49Å; L274-E278 PolarHBondContact O-N 3.35Å; L274-T319 VanDerWaalsContact CD1-C 3.44Å; L274-T319 HydrophobicContact CD1-CG2 3.62Å; L274-T319 WeakPolarHBondContact CD1-O 3.44Å; L274-T319 HydrophobicContact CD2-CG2 4.27Å; L274-L320 HydrophobicContact CB-CB 4.11Å; L274-L320 HydrophobicContact CB-CD1 3.75Å; L274-L320 HydrophobicContact CB-CG 4.45Å; L274-L320 HydrophobicContact CD1-CB 4.19Å; L274-C323 HydrophobicContact CD1-CB 4.28Å; L274-C323 VanDerWaalsContact CD1-SG 3.54Å
275Q96.2Very high95.5Very high61 Ų6143 Ų4329%0.28521%0.208SC..Hα-helixtrans-61.5-35.3169-73.1173.2-18.500111.8I271 K279 L320I271-Q275 HydrophobicContact CG2-CG 4.37Å; I271-Q275 WeakPolarHBondContact O-CG 3.38Å; I271-Q275 PolarHBondContact O-N 2.91Å; Q275-K279 WeakPolarHBondContact O-CG 3.35Å; Q275-K279 PolarHBondContact O-N 3.37Å; Q275-L320 HydrophobicContact CG-CD1 4.38Å
276E96.4Very high95.5Very high38 Ų3840.4 Ų40.418%0.17820%0.2CC..Hα-helixtrans-72.4-37.4174.5-154.259.8-145.700111.9Y254 R272 S273 L274 E278 K279 L280 A339Y254-E276 HydrophobicContact CD1-CB 4.35Å; Y254-E276 HydrophobicContact CD2-CB 4.38Å; Y254-E276 HydrophobicContact CD2-CG 4.31Å; Y254-E276 HydrophobicContact CE1-CB 4.43Å; Y254-E276 HydrophobicContact CE1-CG 4.43Å; Y254-E276 HydrophobicContact CE2-CB 4.45Å; Y254-E276 HydrophobicContact CE2-CG 3.96Å; Y254-E276 HydrophobicContact CG-CB 4.33Å; R272-E276 IonicContact CZ-OE2 2.72Å; R272-E276 IonicContact NH1-OE2 2.69Å; R272-E276 PolarHBondContact NH1-OE2 3.32Å; R272-E276 IonicContact NH2-OE2 3.27Å; R272-E276 PolarHBondContact NH2-OE2 3.35Å; R272-E276 PolarHBondContact O-N 3.43Å; S273-E276 WeakPolarHBondContact O-CB 3.16Å; S273-E276 PolarHBondContact O-N 3.04Å; S273-E276 VanDerWaalsContact O-N 3.11Å; L274-E276 PolarHBondContact O-N 3.31Å; E276-E278 VanDerWaalsContact C-N 3.32Å; E276-E278 PolarHBondContact O-N 3.23Å; E276-K279 PolarHBondContact O-N 3.39Å; E276-K279 IonicContact OE2-NZ 2.98Å; E276-K279 PolarHBondContact OE2-NZ 3.2Å; E276-L280 PolarHBondContact O-N 3.45Å; E276-A339 HydrophobicContact CB-CB 4.1Å; E276-A339 HydrophobicContact CG-CB 3.73Å
277A96.3Very high95.5Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-58.2-43.1172.100000112A251 S273 L274 L280 Y281 V316A251-A277 WeakPolarHBondContact CB-O 3.5Å; A251-A277 WeakPolarHBondContact O-CB 3.5Å; S273-A277 PolarHBondContact O-N 2.99Å; L274-A277 WeakPolarHBondContact O-CB 3.47Å; L274-A277 PolarHBondContact O-N 3.49Å; A277-L280 PolarHBondContact O-N 3.11Å; A277-Y281 VanDerWaalsContact O-CB 3.31Å; A277-Y281 WeakPolarHBondContact O-CB 3.11Å; A277-Y281 PolarHBondContact O-N 3.31Å; A277-V316 HydrophobicContact CB-CG1 4.07Å; A277-V316 HydrophobicContact CB-CG2 4.21Å
278E95.9Very high95.3Very high105 Ų10536.5 Ų36.549%0.49118%0.183SC..Hα-helixtrans-62.9-44.7178.1-173.7176.5-150.400112.1L274 E276 L280 Y281 A282 V316L274-E278 PolarHBondContact O-N 3.35Å; E276-E278 VanDerWaalsContact C-N 3.32Å; E276-E278 PolarHBondContact O-N 3.23Å; E278-L280 PolarHBondContact O-N 3.32Å; E278-Y281 PolarHBondContact O-N 2.67Å; E278-A282 PolarHBondContact O-N 2.88Å; E278-V316 HydrophobicContact CB-CG1 4.19Å
279K96.4Very high95.2Very high111 Ų11142.3 Ų42.348%0.48321%0.208SC..Hα-helixtrans-59.8-45.9175.2-69174.4-165.2165.90112Q275 E276 Y281 A282 K283Q275-K279 WeakPolarHBondContact O-CG 3.35Å; Q275-K279 PolarHBondContact O-N 3.37Å; E276-K279 PolarHBondContact O-N 3.39Å; E276-K279 IonicContact OE2-NZ 2.98Å; E276-K279 PolarHBondContact OE2-NZ 3.2Å; K279-Y281 VanDerWaalsContact C-N 3.35Å; K279-A282 PolarHBondContact O-N 3.29Å; K279-K283 PolarHBondContact O-N 3.29Å
280L96.5Very high95Very high28 Ų2842.3 Ų42.315%0.14721%0.208CC..Hα-helixtrans-67.8-36179.5-77.3169000112.2T250 A251 Y254 E276 A277 E278 K283 A284T250-L280 HydrophobicContact CG2-CD1 3.46Å; T250-L280 VanDerWaalsContact CG2-CD1 3.46Å; A251-L280 HydrophobicContact CB-CB 3.93Å; Y254-L280 HydrophobicContact CD2-CD1 3.53Å; Y254-L280 HydrophobicContact CE2-CD1 3.59Å; E276-L280 PolarHBondContact O-N 3.45Å; A277-L280 PolarHBondContact O-N 3.11Å; E278-L280 PolarHBondContact O-N 3.32Å; L280-K283 PolarHBondContact O-N 2.76Å; L280-A284 WeakPolarHBondContact O-CB 3.38Å; L280-A284 PolarHBondContact O-N 3.33Å
281Y95.4Very high94.9Very high38 Ų3842.4 Ų42.415%0.14921%0.208CC..Hα-helixtrans-63.2-45.9172.9-179.5-98.4000111.7A277 E278 K279 K283 A284 E285 F309 L312A277-Y281 VanDerWaalsContact O-CB 3.31Å; A277-Y281 WeakPolarHBondContact O-CB 3.11Å; A277-Y281 PolarHBondContact O-N 3.31Å; E278-Y281 PolarHBondContact O-N 2.67Å; K279-Y281 VanDerWaalsContact C-N 3.35Å; Y281-K283 VanDerWaalsContact C-N 3.32Å; Y281-K283 PolarHBondContact O-N 2.98Å; Y281-A284 WeakPolarHBondContact O-CB 3.39Å; Y281-A284 PolarHBondContact O-N 3.36Å; Y281-A284 VanDerWaalsContact O-N 3.13Å; Y281-E285 PolarHBondContact O-N 3.42Å; Y281-F309 HydrophobicContact CD2-CE1 4.5Å; Y281-F309 HydrophobicContact CD2-CZ 4.29Å; Y281-F309 HydrophobicContact CE1-CE1 4.15Å; Y281-F309 AromaticContact CE2-CD1 3.98Å; Y281-F309 HydrophobicContact CE2-CD1 3.98Å; Y281-F309 AromaticContact CE2-CE1 3.63Å; Y281-F309 HydrophobicContact CE2-CE1 3.63Å; Y281-F309 HydrophobicContact CE2-CE2 4.34Å; Y281-F309 HydrophobicContact CE2-CG 4.47Å; Y281-F309 AromaticContact CE2-CZ 3.8Å; Y281-F309 HydrophobicContact CE2-CZ 3.8Å; Y281-F309 WeakPolarHBondContact CE2-O 3.27Å; Y281-F309 AromaticContact CZ-CD1 3.84Å; Y281-F309 AromaticContact CZ-CE1 3.42Å; Y281-F309 VanDerWaalsContact CZ-CE1 3.42Å; Y281-F309 VanDerWaalsContact OH-CD1 3.28Å; Y281-F309 WeakPolarHBondContact OH-CD1 3.4Å; Y281-F309 VanDerWaalsContact OH-CE1 3.27Å; Y281-F309 WeakPolarHBondContact OH-CE1 3.3Å; Y281-F309 PolarHBondContact OH-O 3.19Å; Y281-L312 HydrophobicContact CD2-CB 4.47Å; Y281-L312 HydrophobicContact CD2-CD2 3.94Å; Y281-L312 HydrophobicContact CD2-CG 4.01Å; Y281-L312 HydrophobicContact CE2-CB 4.23Å; Y281-L312 HydrophobicContact CE2-CD2 4.42Å; Y281-L312 HydrophobicContact CE2-CG 4.28Å
282A95.3Very high94.6Very high54 Ų5443 Ų4345%0.44622%0.216SC..Hα-helixtrans-61.3-39.4174.900000112.1E278 K279 E285 A286E278-A282 PolarHBondContact O-N 2.88Å; K279-A282 PolarHBondContact O-N 3.29Å; A282-E285 WeakPolarHBondContact O-CB 3.49Å; A282-E285 PolarHBondContact O-N 2.98Å; A282-A286 PolarHBondContact O-N 2.95Å
283K95.6Very high94.3Very high101 Ų10149.5 Ų49.544%0.43925%0.247SC..Hα-helixtrans-62.9-42.6172.6-175.3177175.2-172.80111.9H243 K279 L280 Y281 E285 A286 L287H243-K283 WeakPolarHBondContact NE2-CE 3.2Å; H243-K283 PolarHBondContact NE2-NZ 2.98Å; K279-K283 PolarHBondContact O-N 3.29Å; L280-K283 PolarHBondContact O-N 2.76Å; Y281-K283 VanDerWaalsContact C-N 3.32Å; Y281-K283 PolarHBondContact O-N 2.98Å; K283-E285 VanDerWaalsContact C-N 3.27Å; K283-E285 PolarHBondContact O-N 3.03Å; K283-A286 PolarHBondContact O-N 3.19Å; K283-L287 HydrophobicContact CG-CD1 4.34Å; K283-L287 WeakPolarHBondContact O-CG 3.42Å; K283-L287 PolarHBondContact O-N 3.08Å
284A94.7Very high94.1Very high0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-62.4-35.917500000111.5C247 F248 L280 Y281 L287 C288 F309C247-A284 HydrophobicContact CB-CB 3.99Å; F248-A284 HydrophobicContact CB-CB 4.33Å; L280-A284 WeakPolarHBondContact O-CB 3.38Å; L280-A284 PolarHBondContact O-N 3.33Å; Y281-A284 WeakPolarHBondContact O-CB 3.39Å; Y281-A284 PolarHBondContact O-N 3.36Å; Y281-A284 VanDerWaalsContact O-N 3.13Å; A284-L287 PolarHBondContact O-N 3.03Å; A284-C288 PolarHBondContact O-N 2.94Å; A284-C288 PolarHBondContact O-SG 3.31Å; A284-F309 HydrophobicContact CB-CE2 4.03Å; A284-F309 HydrophobicContact CB-CZ 4.22Å
285E93.3Very high93.8Very high80 Ų8060.1 Ų60.137%0.37430%0.295SS..Hα-helixtrans-66.7-41.1176.4-169.4180175.900112.1Y281 A282 K283 C288 K289 F309Y281-E285 PolarHBondContact O-N 3.42Å; A282-E285 WeakPolarHBondContact O-CB 3.49Å; A282-E285 PolarHBondContact O-N 2.98Å; K283-E285 VanDerWaalsContact C-N 3.27Å; K283-E285 PolarHBondContact O-N 3.03Å; E285-C288 VanDerWaalsContact O-CB 3.31Å; E285-C288 WeakPolarHBondContact O-CB 3.18Å; E285-C288 PolarHBondContact O-N 3.41Å; E285-K289 PolarHBondContact O-N 2.9Å; E285-F309 HydrophobicContact CB-CE1 3.97Å; E285-F309 HydrophobicContact CB-CZ 3.81Å; E285-F309 HydrophobicContact CG-CE1 4.11Å; E285-F309 HydrophobicContact CG-CZ 4.39Å
286A94.4Very high93.4Very high44 Ų4458.7 Ų58.736%0.36430%0.298SS..Hα-helixtrans-60.2-46.1171.900000111.2A282 K283 C288 K289 E290A282-A286 PolarHBondContact O-N 2.95Å; K283-A286 PolarHBondContact O-N 3.19Å; A286-C288 VanDerWaalsContact C-N 3.25Å; A286-C288 PolarHBondContact O-N 3.33Å; A286-K289 WeakPolarHBondContact O-CB 3.42Å; A286-K289 PolarHBondContact O-N 3.39Å; A286-E290 PolarHBondContact O-N 3.19Å; A286-E290 VanDerWaalsContact O-N 3.08Å
287L93.9Very high92.9Very high7 Ų758 Ų584%0.03730%0.296CS..Hα-helixtrans-61.9-30.2176.2-70.8166.3000112.9K240 H243 L244 C247 K283 A284 K289 Y291K240-L287 HydrophobicContact CD-CD2 4.17Å; H243-L287 HydrophobicContact CB-CD1 4.34Å; L244-L287 HydrophobicContact CB-CB 4.02Å; L244-L287 HydrophobicContact CG-CB 4.47Å; C247-L287 HydrophobicContact CB-CD1 4.43Å; K283-L287 HydrophobicContact CG-CD1 4.34Å; K283-L287 WeakPolarHBondContact O-CG 3.42Å; K283-L287 PolarHBondContact O-N 3.08Å; A284-L287 PolarHBondContact O-N 3.03Å; L287-K289 VanDerWaalsContact C-N 3.33Å; L287-Y291 VanDerWaalsContact O-CB 3.31Å; L287-Y291 WeakPolarHBondContact O-CB 3.31Å; L287-Y291 PolarHBondContact O-N 2.91Å
288C90.7Very high92.3Very high2 Ų259.3 Ų59.31%0.01431%0.31CS..Hα-helixtrans-62.4-40172.6-66.80000112.2L244 A284 E285 A286 G292 P303 F309L244-C288 HydrophobicContact CD1-CB 4.22Å; L244-C288 WeakPolarHBondContact CD1-SG 3.48Å; A284-C288 PolarHBondContact O-N 2.94Å; A284-C288 PolarHBondContact O-SG 3.31Å; E285-C288 VanDerWaalsContact O-CB 3.31Å; E285-C288 WeakPolarHBondContact O-CB 3.18Å; E285-C288 PolarHBondContact O-N 3.41Å; A286-C288 VanDerWaalsContact C-N 3.25Å; A286-C288 PolarHBondContact O-N 3.33Å; C288-G292 PolarHBondContact O-N 2.93Å; C288-P303 HydrophobicContact CB-CG 3.92Å; C288-F309 VanDerWaalsContact SG-CE2 3.57Å
289K90.9Very high91.6Very high123 Ų12358.3 Ų58.354%0.53531%0.313SS..Hα-helixtrans-68.2-49.1177.8-63.6177.7-177.5175.50110.1E285 A286 L287 Y291 G292 E293E285-K289 PolarHBondContact O-N 2.9Å; A286-K289 WeakPolarHBondContact O-CB 3.42Å; A286-K289 PolarHBondContact O-N 3.39Å; L287-K289 VanDerWaalsContact C-N 3.33Å; K289-Y291 VanDerWaalsContact C-N 3.32Å; K289-Y291 PolarHBondContact O-N 2.82Å; K289-G292 PolarHBondContact O-N 3.42Å; K289-E293 PolarHBondContact O-N 2.8Å; K289-E293 VanDerWaalsContact O-N 3.11Å
290E92.8Very high90.8Very high72 Ų7258 Ų5834%0.33632%0.32SS..Hα-helixtrans-58-42.8177.2-66.4175.6-155.700112.1K240 A286 G292 E293 T294K240-E290 HydrophobicContact CD-CB 4.34Å; K240-E290 WeakPolarHBondContact CE-OE2 3.45Å; K240-E290 IonicContact NZ-OE2 3.32Å; K240-E290 PolarHBondContact NZ-OE2 3.17Å; A286-E290 PolarHBondContact O-N 3.19Å; A286-E290 VanDerWaalsContact O-N 3.08Å; E290-G292 VanDerWaalsContact C-N 3.31Å; E290-G292 PolarHBondContact O-N 3.13Å; E290-E293 PolarHBondContact O-N 3.32Å; E290-T294 WeakPolarHBondContact O-CB 3.41Å; E290-T294 PolarHBondContact O-N 2.98Å; E290-T294 PolarHBondContact O-OG1 3.2Å
291Y92.4Very high90Very high2 Ų258.1 Ų58.11%0.00832%0.322CS..Hα-helixtrans-58.8-41.8174.9172.7-88.6000112.1W4 H6 K237 K240 L287 K289 E293 T294 V301 P303W4-Y291 HydrophobicContact CH2-CD1 4.02Å; W4-Y291 AromaticContact CH2-CE1 3.74Å; W4-Y291 HydrophobicContact CH2-CE1 3.74Å; W4-Y291 HydrophobicContact CH2-CE2 4.34Å; W4-Y291 HydrophobicContact CH2-CG 4.47Å; W4-Y291 AromaticContact CH2-CZ 3.92Å; W4-Y291 HydrophobicContact CZ2-CD1 4.36Å; W4-Y291 AromaticContact CZ2-CE1 3.65Å; W4-Y291 HydrophobicContact CZ2-CE1 3.65Å; W4-Y291 AromaticContact CZ2-CZ 3.79Å; H6-Y291 AromaticContact ND1-CE2 3.83Å; H6-Y291 AromaticContact ND1-CZ 3.76Å; H6-Y291 PolarHBondContact ND1-OH 3.42Å; K237-Y291 HydrophobicContact CG-CD2 4.1Å; K237-Y291 HydrophobicContact CG-CE2 3.74Å; K237-Y291 WeakPolarHBondContact O-CD2 3.43Å; K240-Y291 HydrophobicContact CB-CD2 4.24Å; L287-Y291 VanDerWaalsContact O-CB 3.31Å; L287-Y291 WeakPolarHBondContact O-CB 3.31Å; L287-Y291 PolarHBondContact O-N 2.91Å; K289-Y291 VanDerWaalsContact C-N 3.32Å; K289-Y291 PolarHBondContact O-N 2.82Å; Y291-E293 VanDerWaalsContact C-N 3.28Å; Y291-E293 PolarHBondContact O-N 2.66Å; Y291-T294 PolarHBondContact O-N 3.4Å; Y291-V301 HydrophobicContact CE1-CB 4.25Å; Y291-P303 HydrophobicContact CD1-CG 4.39Å
292G89.4Confident89.5Confident16 Ų1664.1 Ų64.117%0.16535%0.349CS..Hα-helixtrans-68.3-25.417900000114C288 K289 E290 T300C288-G292 PolarHBondContact O-N 2.93Å; K289-G292 PolarHBondContact O-N 3.42Å; E290-G292 VanDerWaalsContact C-N 3.31Å; E290-G292 PolarHBondContact O-N 3.13Å; G292-T300 VanDerWaalsContact O-CG2 3.28Å; G292-T300 WeakPolarHBondContact O-CG2 3Å
293E91.3Very high88.7Confident157 Ų15761.5 Ų61.573%0.73433%0.327SS*.Hα-helixtrans-92.4-21.3178.3-68.1168.1-173.800112.6K289 E290 Y291 K295K289-E293 PolarHBondContact O-N 2.8Å; K289-E293 VanDerWaalsContact O-N 3.11Å; E290-E293 PolarHBondContact O-N 3.32Å; Y291-E293 VanDerWaalsContact C-N 3.28Å; Y291-E293 PolarHBondContact O-N 2.66Å; E293-K295 PolarHBondContact O-N 2.9Å
294T91.9Very high87.7Confident30 Ų3058.4 Ų58.418%0.18432%0.318CS..  trans-74.4120.5-178.9-57.60000110.7A236 K237 E290 Y291A236-T294 HydrophobicContact CB-CG2 4.11Å; K237-T294 HydrophobicContact CB-CG2 3.85Å; K237-T294 WeakPolarHBondContact CD-O 3.35Å; K237-T294 HydrophobicContact CG-CG2 4.42Å; E290-T294 WeakPolarHBondContact O-CB 3.41Å; E290-T294 PolarHBondContact O-N 2.98Å; E290-T294 PolarHBondContact O-OG1 3.2Å; Y291-T294 PolarHBondContact O-N 3.4Å
295K89.8Confident86.8Confident193 Ų19360 Ų6084%0.83934%0.335SS*.  trans-72143.2169.1-65.4-175.3-179-179.20110.1E293E293-K295 PolarHBondContact O-N 2.9Å
296G88.4Confident86.3Confident32 Ų3258.8 Ų58.833%0.3333%0.329SS..  trans163.4-179.1178.800000111.8K237K237-G296 PolarHBondContact NZ-O 3Å
297P86.2Confident85.7Confident22 Ų2260.9 Ų60.914%0.14333%0.334CS..SBendtrans-57.5150.5-177.1-22.733.1000113.1H6 P9 T95 L96 K237H6-P297 PolarHBondContact CE1-O 3.39Å; P9-P297 HydrophobicContact CG-CB 4.49Å; T95-P297 WeakPolarHBondContact O-CB 3.46Å; L96-P297 HydrophobicContact CD2-CG 3.96Å; K237-P297 WeakPolarHBondContact CD-O 3.08Å
298G82.8Confident85.2Confident28 Ų2860.9 Ų60.929%0.28933%0.333SS..SBendtrans78.6169.8-179.100000114.9R7 K237R7-G298 WeakPolarHBondContact O-CA 3.5Å; K237-G298 PolarHBondContact NZ-O 2.83Å
299P82.4Confident85Confident85 Ų8560.9 Ų60.955%0.55233%0.333SS*.  trans-67.5153.6-173.726.8-34.2000112.7K237 V301K237-P299 PolarHBondContact NZ-O 3.04Å; P299-V301 HydrophobicContact CB-CG2 4.35Å; P299-V301 HydrophobicContact CG-CG2 4.24Å
300T78.8Confident84.9Confident104 Ų10461.8 Ų61.864%0.63833%0.333SS*.  trans-79.8119.6170.1-57.80000109G292G292-T300 VanDerWaalsContact O-CG2 3.28Å; G292-T300 WeakPolarHBondContact O-CG2 3Å
301V80.4Confident84.7Confident31 Ų3163.6 Ų63.619%0.18834%0.34CS..  trans-130.6145.2-176.5-177.30000108.6W4 Y291 P299 P303 H306W4-V301 HydrophobicContact CZ2-CB 4.23Å; W4-V301 HydrophobicContact CZ2-CG1 4.28Å; Y291-V301 HydrophobicContact CE1-CB 4.25Å; P299-V301 HydrophobicContact CB-CG2 4.35Å; P299-V301 HydrophobicContact CG-CG2 4.24Å; V301-P303 VanDerWaalsContact O-CD 3.23Å; V301-P303 WeakPolarHBondContact O-CD 3.28Å; V301-H306 VanDerWaalsContact CG1-CE1 3.49Å; V301-H306 WeakPolarHBondContact CG1-CE1 3.31Å
302K83.8Confident84.6Confident163 Ų16363.5 Ų63.571%0.70934%0.34SS*.  trans-107.785.7173.6-69.3-175.9178-177.90109.6S304 G305K302-S304 VanDerWaalsContact C-N 3.31Å; K302-S304 PolarHBondContact O-N 3.35Å; K302-G305 PolarHBondContact O-N 3.46Å
303P78.9Confident84.7Confident0 Ų063.4 Ų63.40%034%0.338CS..G310 helixtrans-71.4-21.1-168.528.7-36.7000114.4W4 L244 C288 Y291 V301 G305 H306 F308W4-P303 HydrophobicContact CD2-CB 3.88Å; W4-P303 HydrophobicContact CE3-CB 3.43Å; W4-P303 VanDerWaalsContact CE3-CB 3.43Å; W4-P303 HydrophobicContact CE3-CG 4.23Å; W4-P303 HydrophobicContact CH2-CB 3.69Å; W4-P303 HydrophobicContact CH2-CG 3.62Å; W4-P303 HydrophobicContact CZ2-CB 4.13Å; W4-P303 HydrophobicContact CZ2-CG 4.3Å; W4-P303 HydrophobicContact CZ3-CB 3.32Å; W4-P303 HydrophobicContact CZ3-CG 3.58Å; L244-P303 HydrophobicContact CD1-CG 3.89Å; C288-P303 HydrophobicContact CB-CG 3.92Å; Y291-P303 HydrophobicContact CD1-CG 4.39Å; V301-P303 VanDerWaalsContact O-CD 3.23Å; V301-P303 WeakPolarHBondContact O-CD 3.28Å; P303-G305 PolarHBondContact O-N 3.23Å; P303-G305 VanDerWaalsContact O-N 3.15Å; P303-H306 VanDerWaalsContact O-CB 3.32Å; P303-H306 WeakPolarHBondContact O-CB 3.39Å; P303-H306 PolarHBondContact O-N 3.29Å; P303-F308 HydrophobicContact CB-CE1 4.37Å; P303-F308 HydrophobicContact CB-CZ 4.29Å
304S73.6Confident84.8Confident36 Ų3660.7 Ų60.725%0.25233%0.329SS..G310 helixtrans-59.2-27177.454.10000113K302 H306K302-S304 VanDerWaalsContact C-N 3.31Å; K302-S304 PolarHBondContact O-N 3.35Å; S304-H306 VanDerWaalsContact C-N 3.31Å; S304-H306 PolarHBondContact O-N 3.11Å
305G76.8Confident84.8Confident33 Ų3361.3 Ų61.334%0.3433%0.331SS..G310 helixtrans-77.8-10.2175.900000114.2K302 P303 R310K302-G305 PolarHBondContact O-N 3.46Å; P303-G305 PolarHBondContact O-N 3.23Å; P303-G305 VanDerWaalsContact O-N 3.15Å; G305-R310 VanDerWaalsContact O-CZ 3.24Å; G305-R310 PolarHBondContact O-NE 2.97Å; G305-R310 VanDerWaalsContact O-NE 3.13Å; G305-R310 PolarHBondContact O-NH2 3.38Å
306H83.4Confident85.1Confident55 Ų5552.4 Ų52.426%0.25529%0.292SS..SBendtrans-80.9155.1-173.5-64.1-173.9000112.1W4 V301 P303 S304 F308 F309 R310W4-H306 AromaticContact CD1-CE1 3.93Å; W4-H306 AromaticContact CG-ND1 3.8Å; V301-H306 VanDerWaalsContact CG1-CE1 3.49Å; V301-H306 WeakPolarHBondContact CG1-CE1 3.31Å; P303-H306 VanDerWaalsContact O-CB 3.32Å; P303-H306 WeakPolarHBondContact O-CB 3.39Å; P303-H306 PolarHBondContact O-N 3.29Å; S304-H306 VanDerWaalsContact C-N 3.31Å; S304-H306 PolarHBondContact O-N 3.11Å; H306-F308 VanDerWaalsContact C-N 3.32Å; H306-F308 HydrophobicContact CB-CD1 3.55Å; H306-F308 HydrophobicContact CB-CE1 3.6Å; H306-F308 AromaticContact ND1-CE1 3.99Å; H306-F308 PolarHBondContact O-N 2.66Å; H306-F309 PolarHBondContact O-N 3.09Å; H306-R310 PolarHBondContact O-N 2.84Å
307L81.5Confident85.4Confident88 Ų8856.5 Ų56.546%0.46130%0.301SS..Hα-helixtrans-58.9-39.9-177.1-72.1173.1000113.1F309 R310 K311L307-F309 PolarHBondContact O-N 3.31Å; L307-R310 PolarHBondContact O-N 3.05Å; L307-K311 WeakPolarHBondContact O-CB 3.33Å; L307-K311 WeakPolarHBondContact O-CG 3.49Å; L307-K311 PolarHBondContact O-N 2.9Å
308F83.8Confident85.8Confident7 Ų760 Ų603%0.03132%0.319CS..Hα-helixtrans-58.1-39.9179.685.8-87.3000111.6T2 W4 F248 P303 H306T2-F308 VanDerWaalsContact O-CB 3.31Å; T2-F308 WeakPolarHBondContact O-CB 3.43Å; W4-F308 HydrophobicContact CB-CD1 3.93Å; W4-F308 HydrophobicContact CB-CE1 3.56Å; W4-F308 HydrophobicContact CB-CZ 4.26Å; W4-F308 HydrophobicContact CD2-CE1 4.45Å; W4-F308 HydrophobicContact CE3-CE1 4.1Å; W4-F308 AromaticContact CE3-CZ 3.84Å; W4-F308 HydrophobicContact CE3-CZ 3.84Å; W4-F308 HydrophobicContact CG-CE1 4.29Å; F248-F308 AromaticContact CE1-CD2 3.93Å; F248-F308 HydrophobicContact CE1-CD2 3.93Å; F248-F308 HydrophobicContact CE1-CE2 4.19Å; F248-F308 HydrophobicContact CE2-CD2 4.2Å; F248-F308 HydrophobicContact CE2-CE2 4.15Å; F248-F308 AromaticContact CZ-CD2 3.63Å; F248-F308 HydrophobicContact CZ-CD2 3.63Å; F248-F308 AromaticContact CZ-CE2 3.97Å; F248-F308 HydrophobicContact CZ-CE2 3.97Å; P303-F308 HydrophobicContact CB-CE1 4.37Å; P303-F308 HydrophobicContact CB-CZ 4.29Å; H306-F308 VanDerWaalsContact C-N 3.32Å; H306-F308 HydrophobicContact CB-CD1 3.55Å; H306-F308 HydrophobicContact CB-CE1 3.6Å; H306-F308 AromaticContact ND1-CE1 3.99Å; H306-F308 PolarHBondContact O-N 2.66Å
309F86Confident86.3Confident2 Ų259.1 Ų59.11%0.00931%0.308CS..Hα-helixtrans-70.9-50.4-177.4-162.4-93.4000111.2F248 Y281 A284 E285 C288 H306 L307 K311 L312 G313F248-F309 AromaticContact CD2-CD2 3.71Å; F248-F309 HydrophobicContact CD2-CD2 3.71Å; F248-F309 AromaticContact CD2-CE2 3.76Å; F248-F309 HydrophobicContact CD2-CE2 3.76Å; F248-F309 AromaticContact CE2-CD2 3.69Å; F248-F309 HydrophobicContact CE2-CD2 3.69Å; F248-F309 HydrophobicContact CE2-CE2 4.14Å; F248-F309 HydrophobicContact CE2-CG 4.3Å; Y281-F309 HydrophobicContact CD2-CE1 4.5Å; Y281-F309 HydrophobicContact CD2-CZ 4.29Å; Y281-F309 HydrophobicContact CE1-CE1 4.15Å; Y281-F309 AromaticContact CE2-CD1 3.98Å; Y281-F309 HydrophobicContact CE2-CD1 3.98Å; Y281-F309 AromaticContact CE2-CE1 3.63Å; Y281-F309 HydrophobicContact CE2-CE1 3.63Å; Y281-F309 HydrophobicContact CE2-CE2 4.34Å; Y281-F309 HydrophobicContact CE2-CG 4.47Å; Y281-F309 AromaticContact CE2-CZ 3.8Å; Y281-F309 HydrophobicContact CE2-CZ 3.8Å; Y281-F309 WeakPolarHBondContact CE2-O 3.27Å; Y281-F309 AromaticContact CZ-CD1 3.84Å; Y281-F309 AromaticContact CZ-CE1 3.42Å; Y281-F309 VanDerWaalsContact CZ-CE1 3.42Å; Y281-F309 VanDerWaalsContact OH-CD1 3.28Å; Y281-F309 WeakPolarHBondContact OH-CD1 3.4Å; Y281-F309 VanDerWaalsContact OH-CE1 3.27Å; Y281-F309 WeakPolarHBondContact OH-CE1 3.3Å; Y281-F309 PolarHBondContact OH-O 3.19Å; A284-F309 HydrophobicContact CB-CE2 4.03Å; A284-F309 HydrophobicContact CB-CZ 4.22Å; E285-F309 HydrophobicContact CB-CE1 3.97Å; E285-F309 HydrophobicContact CB-CZ 3.81Å; E285-F309 HydrophobicContact CG-CE1 4.11Å; E285-F309 HydrophobicContact CG-CZ 4.39Å; C288-F309 VanDerWaalsContact SG-CE2 3.57Å; H306-F309 PolarHBondContact O-N 3.09Å; L307-F309 PolarHBondContact O-N 3.31Å; F309-K311 VanDerWaalsContact C-N 3.31Å; F309-K311 PolarHBondContact O-N 3.33Å; F309-L312 PolarHBondContact O-N 3.22Å; F309-G313 PolarHBondContact O-N 3.01Å
310R88.2Confident87Confident141 Ų14155.7 Ų55.753%0.53229%0.285SS..Hα-helixtrans-64.1-33.4-179.3-57.8-173.2-152.6172.13.8113.2G305 H306 L307 L312 G313 N314G305-R310 VanDerWaalsContact O-CZ 3.24Å; G305-R310 PolarHBondContact O-NE 2.97Å; G305-R310 VanDerWaalsContact O-NE 3.13Å; G305-R310 PolarHBondContact O-NH2 3.38Å; H306-R310 PolarHBondContact O-N 2.84Å; L307-R310 PolarHBondContact O-N 3.05Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.38Å; R310-G313 PolarHBondContact O-N 3.38Å; R310-N314 PolarHBondContact O-N 3.48Å
311K89.2Confident87.8Confident111 Ų11154.1 Ų54.148%0.48327%0.27SS..Hα-helixtrans-61.4-42.1177.5-81.7-172.5176-169.90111.9L307 F309 L315L307-K311 WeakPolarHBondContact O-CB 3.33Å; L307-K311 WeakPolarHBondContact O-CG 3.49Å; L307-K311 PolarHBondContact O-N 2.9Å; F309-K311 VanDerWaalsContact C-N 3.31Å; F309-K311 PolarHBondContact O-N 3.33Å; K311-L315 WeakPolarHBondContact O-CB 3.17Å; K311-L315 PolarHBondContact O-N 3.47Å
312L90Very high88.5Confident0 Ų056.8 Ų56.80%028%0.279CS..Hα-helixtrans-65-45.1175.4177.259.5000111.4F248 A251 Y252 Y281 F309 R310 N314 L315 V316F248-L312 HydrophobicContact CD1-CD2 4.26Å; F248-L312 HydrophobicContact CD2-CD2 3.51Å; F248-L312 HydrophobicContact CE1-CD2 4.09Å; F248-L312 HydrophobicContact CE2-CB 3.69Å; F248-L312 HydrophobicContact CE2-CD2 3.29Å; F248-L312 HydrophobicContact CE2-CG 4.11Å; F248-L312 HydrophobicContact CG-CD2 4Å; F248-L312 HydrophobicContact CZ-CB 3.72Å; F248-L312 HydrophobicContact CZ-CD2 3.61Å; F248-L312 HydrophobicContact CZ-CG 4.31Å; F248-L312 WeakPolarHBondContact O-CD2 3.36Å; A251-L312 HydrophobicContact CB-CD2 4.18Å; Y252-L312 HydrophobicContact CD1-CD1 3.89Å; Y252-L312 HydrophobicContact CD2-CB 4.45Å; Y252-L312 HydrophobicContact CD2-CD1 3.67Å; Y252-L312 HydrophobicContact CD2-CD2 3.57Å; Y252-L312 HydrophobicContact CD2-CG 4.09Å; Y252-L312 HydrophobicContact CE1-CD1 3.92Å; Y252-L312 HydrophobicContact CE2-CB 3.84Å; Y252-L312 HydrophobicContact CE2-CD1 3.7Å; Y252-L312 HydrophobicContact CE2-CD2 3.81Å; Y252-L312 HydrophobicContact CE2-CG 3.97Å; Y252-L312 HydrophobicContact CG-CD1 3.76Å; Y252-L312 HydrophobicContact CG-CD2 4.3Å; Y281-L312 HydrophobicContact CD2-CB 4.47Å; Y281-L312 HydrophobicContact CD2-CD2 3.94Å; Y281-L312 HydrophobicContact CD2-CG 4.01Å; Y281-L312 HydrophobicContact CE2-CB 4.23Å; Y281-L312 HydrophobicContact CE2-CD2 4.42Å; Y281-L312 HydrophobicContact CE2-CG 4.28Å; F309-L312 PolarHBondContact O-N 3.22Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.38Å; L312-N314 VanDerWaalsContact C-N 3.32Å; L312-N314 PolarHBondContact O-N 3.14Å; L312-L315 WeakPolarHBondContact O-CB 3.49Å; L312-L315 PolarHBondContact O-N 3.08Å; L312-L315 VanDerWaalsContact O-N 3.09Å; L312-V316 HydrophobicContact CD1-CG2 3.8Å; L312-V316 HydrophobicContact CG-CG2 4.22Å; L312-V316 WeakPolarHBondContact O-CG2 3.41Å; L312-V316 PolarHBondContact O-N 3.17Å
313G91Very high89Confident13 Ų1349 Ų4913%0.13425%0.245CC..Hα-helixtrans-57.1-44.6178.900000112.8F309 R310 K317F309-G313 PolarHBondContact O-N 3.01Å; R310-G313 PolarHBondContact O-N 3.38Å; G313-K317 WeakPolarHBondContact O-CB 3.17Å; G313-K317 PolarHBondContact O-N 3.47Å; G313-K317 VanDerWaalsContact O-N 3.07Å
314N93.3Very high89.8Confident100 Ų10053.6 Ų53.654%0.53527%0.267SS..Hα-helixtrans-65.5-39.5175.4-70.9-14.6000112.4R310 L312 N318R310-N314 PolarHBondContact O-N 3.48Å; L312-N314 VanDerWaalsContact C-N 3.32Å; L312-N314 PolarHBondContact O-N 3.14Å; N314-N318 VanDerWaalsContact O-CB 3.29Å; N314-N318 WeakPolarHBondContact O-CB 3.49Å; N314-N318 PolarHBondContact O-N 3.22Å; N314-N318 PolarHBondContact O-ND2 3.47Å
315L93.5Very high90.8Very high44 Ų4458.9 Ų58.923%0.2328%0.281CS..Hα-helixtrans-61.5-52.2177-179.864.3000110.8Y252 Y256 K311 L312 K317 N318 T319Y252-L315 HydrophobicContact CE1-CD2 4.08Å; Y256-L315 HydrophobicContact CE2-CD2 4.01Å; K311-L315 WeakPolarHBondContact O-CB 3.17Å; K311-L315 PolarHBondContact O-N 3.47Å; L312-L315 WeakPolarHBondContact O-CB 3.49Å; L312-L315 PolarHBondContact O-N 3.08Å; L312-L315 VanDerWaalsContact O-N 3.09Å; L315-K317 VanDerWaalsContact C-N 3.34Å; L315-K317 PolarHBondContact O-N 3.23Å; L315-N318 PolarHBondContact O-N 3.3Å; L315-T319 WeakPolarHBondContact O-CB 3.4Å; L315-T319 PolarHBondContact O-N 2.88Å; L315-T319 PolarHBondContact O-OG1 3.44Å
316V94.4Very high91.7Very high5 Ų559.5 Ų59.53%0.0328%0.275CS..Hα-helixtrans-56.9-48.3179.2172.70000110.9C255 A277 E278 L312 L320C255-V316 HydrophobicContact CB-CG2 4.24Å; A277-V316 HydrophobicContact CB-CG1 4.07Å; A277-V316 HydrophobicContact CB-CG2 4.21Å; E278-V316 HydrophobicContact CB-CG1 4.19Å; L312-V316 HydrophobicContact CD1-CG2 3.8Å; L312-V316 HydrophobicContact CG-CG2 4.22Å; L312-V316 WeakPolarHBondContact O-CG2 3.41Å; L312-V316 PolarHBondContact O-N 3.17Å; V316-L320 VanDerWaalsContact O-CB 3.28Å; V316-L320 WeakPolarHBondContact O-CB 3.08Å; V316-L320 PolarHBondContact O-N 3.4Å
317K95.3Very high92.2Very high118 Ų11857.7 Ų57.751%0.51327%0.268SS..Hα-helixtrans-60.1-52.1179.3-179.5178.5173.3177.60112G313 L315 T319 L320 E321G313-K317 WeakPolarHBondContact O-CB 3.17Å; G313-K317 PolarHBondContact O-N 3.47Å; G313-K317 VanDerWaalsContact O-N 3.07Å; L315-K317 VanDerWaalsContact C-N 3.34Å; L315-K317 PolarHBondContact O-N 3.23Å; K317-T319 VanDerWaalsContact C-N 3.34Å; K317-T319 PolarHBondContact O-N 3.05Å; K317-L320 PolarHBondContact O-N 3.39Å; K317-E321 WeakPolarHBondContact CE-OE1 3.08Å; K317-E321 IonicContact NZ-OE1 2.98Å; K317-E321 WeakPolarHBondContact O-CG 3.28Å; K317-E321 PolarHBondContact O-N 2.82Å
318N95.5Very high92.9Very high96 Ų9655.6 Ų55.651%0.51327%0.267SS..Hα-helixtrans-64-40.3-177-68.9-15000111.7N314 L315 K322N314-N318 VanDerWaalsContact O-CB 3.29Å; N314-N318 WeakPolarHBondContact O-CB 3.49Å; N314-N318 PolarHBondContact O-N 3.22Å; N314-N318 PolarHBondContact O-ND2 3.47Å; L315-N318 PolarHBondContact O-N 3.3Å; N318-K322 WeakPolarHBondContact O-CB 3.34Å; N318-K322 PolarHBondContact O-N 3.08Å
319T93.4Very high93.4Very high9 Ų963.1 Ų63.16%0.05530%0.3CS..Hα-helixtrans-69.3-36.4178.2-52.90000110.9E259 L274 L315 K317 K322 C323E259-T319 HydrophobicContact CG-CG2 3.76Å; L274-T319 VanDerWaalsContact CD1-C 3.44Å; L274-T319 HydrophobicContact CD1-CG2 3.62Å; L274-T319 WeakPolarHBondContact CD1-O 3.44Å; L274-T319 HydrophobicContact CD2-CG2 4.27Å; L315-T319 WeakPolarHBondContact O-CB 3.4Å; L315-T319 PolarHBondContact O-N 2.88Å; L315-T319 PolarHBondContact O-OG1 3.44Å; K317-T319 VanDerWaalsContact C-N 3.34Å; K317-T319 PolarHBondContact O-N 3.05Å; T319-K322 WeakPolarHBondContact O-CB 3.35Å; T319-K322 PolarHBondContact O-N 3.42Å; T319-C323 PolarHBondContact O-N 2.9Å; T319-C323 PolarHBondContact O-SG 2.86Å
320L95.5Very high93.8Very high13 Ų1368.3 Ų68.37%0.06833%0.327CS..Hα-helixtrans-65.8-48.1176.3177.960.8000111.3I271 L274 Q275 V316 K317 K322 C323 Q324I271-L320 HydrophobicContact CG2-CD1 4.12Å; L274-L320 HydrophobicContact CB-CB 4.11Å; L274-L320 HydrophobicContact CB-CD1 3.75Å; L274-L320 HydrophobicContact CB-CG 4.45Å; L274-L320 HydrophobicContact CD1-CB 4.19Å; Q275-L320 HydrophobicContact CG-CD1 4.38Å; V316-L320 VanDerWaalsContact O-CB 3.28Å; V316-L320 WeakPolarHBondContact O-CB 3.08Å; V316-L320 PolarHBondContact O-N 3.4Å; K317-L320 PolarHBondContact O-N 3.39Å; L320-K322 VanDerWaalsContact C-N 3.27Å; L320-K322 PolarHBondContact O-N 3.47Å; L320-C323 PolarHBondContact O-N 3.27Å; L320-Q324 HydrophobicContact CD1-CG 4.28Å; L320-Q324 WeakPolarHBondContact O-CG 3.46Å; L320-Q324 PolarHBondContact O-N 3Å
321E96.3Very high94.1Very high72 Ų7264.3 Ų64.334%0.33631%0.312SS..Hα-helixtrans-59-40175.6-72.2175.5-174.600111.3K317 Q324 R325K317-E321 WeakPolarHBondContact CE-OE1 3.08Å; K317-E321 IonicContact NZ-OE1 2.98Å; K317-E321 WeakPolarHBondContact O-CG 3.28Å; K317-E321 PolarHBondContact O-N 2.82Å; E321-Q324 PolarHBondContact O-N 3.41Å; E321-R325 WeakPolarHBondContact O-CG 3.43Å; E321-R325 PolarHBondContact O-N 3.37Å
322K95.1Very high94.4Very high86 Ų8666.2 Ų66.237%0.37432%0.321SS..Hα-helixtrans-58.9-52.4173.5178.3-171.5166.8-170.50111.3L262 N318 T319 L320 Q324 R325 E326L262-K322 HydrophobicContact CD2-CD 4.39Å; N318-K322 WeakPolarHBondContact O-CB 3.34Å; N318-K322 PolarHBondContact O-N 3.08Å; T319-K322 WeakPolarHBondContact O-CB 3.35Å; T319-K322 PolarHBondContact O-N 3.42Å; L320-K322 VanDerWaalsContact C-N 3.27Å; L320-K322 PolarHBondContact O-N 3.47Å; K322-Q324 VanDerWaalsContact C-N 3.33Å; K322-Q324 PolarHBondContact O-N 3.01Å; K322-R325 PolarHBondContact O-N 3.1Å; K322-E326 WeakPolarHBondContact CE-OE1 3.47Å; K322-E326 WeakPolarHBondContact CG-OE1 3.45Å; K322-E326 IonicContact NZ-OE1 3.52Å; K322-E326 PolarHBondContact O-N 3.5Å
323C94.2Very high94.6Very high0 Ų069.3 Ų69.30%034%0.335CS..Hα-helixtrans-62.7-39.5-179.4-62.80000111.9C267 I271 L274 T319 L320 E326 N327C267-C323 PolarHBondContact SG-O 2.97Å; I271-C323 HydrophobicContact CG1-CB 3.66Å; L274-C323 HydrophobicContact CD1-CB 4.28Å; L274-C323 VanDerWaalsContact CD1-SG 3.54Å; T319-C323 PolarHBondContact O-N 2.9Å; T319-C323 PolarHBondContact O-SG 2.86Å; L320-C323 PolarHBondContact O-N 3.27Å; C323-E326 PolarHBondContact O-N 2.79Å; C323-N327 WeakPolarHBondContact O-CB 3.19Å; C323-N327 PolarHBondContact O-N 2.79Å
324Q95.1Very high94.8Very high96 Ų9678 Ų7845%0.44937%0.369SS..Hα-helixtrans-62.8-43176.2-74.5179.3-11.500112.4I271 L320 E321 K322 N327 G328I271-Q324 HydrophobicContact CD1-CG 4.32Å; I271-Q324 HydrophobicContact CG1-CG 4.45Å; L320-Q324 HydrophobicContact CD1-CG 4.28Å; L320-Q324 WeakPolarHBondContact O-CG 3.46Å; L320-Q324 PolarHBondContact O-N 3Å; E321-Q324 PolarHBondContact O-N 3.41Å; K322-Q324 VanDerWaalsContact C-N 3.33Å; K322-Q324 PolarHBondContact O-N 3.01Å; Q324-N327 PolarHBondContact O-N 2.91Å; Q324-G328 PolarHBondContact O-N 3.18Å
325R96.2Very high94.9Very high147 Ų14776.9 Ų76.956%0.55536%0.363SS*.Hα-helixtrans-62.2-49.6174.3-71.4-173.9-52.1-129.91.7111.1E321 K322 N327 G328 F329E321-R325 WeakPolarHBondContact O-CG 3.43Å; E321-R325 PolarHBondContact O-N 3.37Å; K322-R325 PolarHBondContact O-N 3.1Å; R325-N327 VanDerWaalsContact C-N 3.3Å; R325-N327 PolarHBondContact O-N 3.17Å; R325-G328 PolarHBondContact O-N 2.62Å; R325-G328 VanDerWaalsContact O-N 3.13Å; R325-F329 HydrophobicContact CB-CD2 4.33Å; R325-F329 HydrophobicContact CB-CE2 4.43Å; R325-F329 WeakPolarHBondContact O-CD2 3.49Å; R325-F329 PolarHBondContact O-N 3.46Å
326E94Very high95Very high46 Ų4677.4 Ų77.422%0.21537%0.368CS..Hα-helixtrans-60.7-40179.7-72.5-173.2-145.300111.9L262 K322 C323 G328 F329 I330 Y331L262-E326 WeakPolarHBondContact CD1-OE2 3.33Å; K322-E326 WeakPolarHBondContact CE-OE1 3.47Å; K322-E326 WeakPolarHBondContact CG-OE1 3.45Å; K322-E326 IonicContact NZ-OE1 3.52Å; K322-E326 PolarHBondContact O-N 3.5Å; C323-E326 PolarHBondContact O-N 2.79Å; E326-G328 PolarHBondContact O-N 3.46Å; E326-F329 PolarHBondContact O-N 2.82Å; E326-I330 WeakPolarHBondContact O-CA 3.33Å; E326-I330 WeakPolarHBondContact O-CB 3.39Å; E326-I330 PolarHBondContact O-N 3.25Å; E326-Y331 HydrophobicContact CB-CD2 4.08Å; E326-Y331 HydrophobicContact CB-CE2 4.02Å; E326-Y331 PolarHBondContact O-N 2.76Å
327N95.3Very high94.9Very high18 Ų1883.5 Ų83.510%0.09641%0.406CS..Iπ-helixtrans-68.5-34.6175.8-158.944.7000112.9C267 I271 C323 Q324 R325 F332 Q333C267-N327 HydrophobicContact CB-CB 4.43Å; I271-N327 HydrophobicContact CD1-CB 3.5Å; I271-N327 VanDerWaalsContact CD1-CB 3.5Å; C323-N327 WeakPolarHBondContact O-CB 3.19Å; C323-N327 PolarHBondContact O-N 2.79Å; Q324-N327 PolarHBondContact O-N 2.91Å; R325-N327 VanDerWaalsContact C-N 3.3Å; R325-N327 PolarHBondContact O-N 3.17Å; N327-F332 VanDerWaalsContact O-CA 3.32Å; N327-F332 WeakPolarHBondContact O-CA 3.22Å; N327-F332 PolarHBondContact O-N 3.2Å; N327-F332 PolarHBondContact OD1-N 3.27Å; N327-Q333 PolarHBondContact ND2-O 3Å; N327-Q333 WeakPolarHBondContact OD1-CB 3.37Å; N327-Q333 PolarHBondContact OD1-N 3.05Å
328G95.2Very high94.7Very high44 Ų4485.2 Ų85.245%0.45442%0.416SS..Iπ-helixtrans-76-20.5178.900000114.9Q324 R325 E326 F332Q324-G328 PolarHBondContact O-N 3.18Å; R325-G328 PolarHBondContact O-N 2.62Å; R325-G328 VanDerWaalsContact O-N 3.13Å; E326-G328 PolarHBondContact O-N 3.46Å; G328-F332 WeakPolarHBondContact O-CE1 3.32Å; G328-F332 WeakPolarHBondContact O-CZ 3.42Å
329F94.9Very high94.4Very high164 Ų16481.9 Ų81.972%0.71940%0.402SS*.Iπ-helixtrans-112.4-30.1-178.5-68.6-64.5000114.3R325 E326R325-F329 HydrophobicContact CB-CD2 4.33Å; R325-F329 HydrophobicContact CB-CE2 4.43Å; R325-F329 WeakPolarHBondContact O-CD2 3.49Å; R325-F329 PolarHBondContact O-N 3.46Å; E326-F329 PolarHBondContact O-N 2.82Å
330I94.6Very high94.1Very high111 Ų11182.9 Ų82.957%0.56941%0.408SS*.Iπ-helixtrans-118.2-59.3-168.8-54.5174.8000111.1E326 F332E326-I330 WeakPolarHBondContact O-CA 3.33Å; E326-I330 WeakPolarHBondContact O-CB 3.39Å; E326-I330 PolarHBondContact O-N 3.25Å; I330-F332 WeakPolarHBondContact O-CD2 3.48Å
331Y94.6Very high93.8Very high57 Ų5789.8 Ų89.822%0.22444%0.44CS..Iπ-helixtrans-88.8-36-163.2-64.3-79.7000114.6L262 D265 C267 E326 Q333L262-Y331 HydrophobicContact CD1-CE2 4.29Å; D265-Y331 HydrophobicContact CB-CE1 3.82Å; D265-Y331 VanDerWaalsContact OD1-CE1 3.31Å; D265-Y331 WeakPolarHBondContact OD1-CE1 3.25Å; D265-Y331 PolarHBondContact OD1-OH 3.44Å; C267-Y331 HydrophobicContact CB-CD1 4.27Å; C267-Y331 HydrophobicContact CB-CD2 3.41Å; C267-Y331 VanDerWaalsContact CB-CD2 3.41Å; C267-Y331 HydrophobicContact CB-CE2 4.02Å; C267-Y331 HydrophobicContact CB-CG 3.56Å; E326-Y331 HydrophobicContact CB-CD2 4.08Å; E326-Y331 HydrophobicContact CB-CE2 4.02Å; E326-Y331 PolarHBondContact O-N 2.76Å; Y331-Q333 PolarHBondContact O-N 2.85Å
332F94.8Very high93.2Very high151 Ų15186.8 Ų86.866%0.66243%0.426SS*.  trans48.632.2-176-54.5-78.1000114.2N327 G328 I330N327-F332 VanDerWaalsContact O-CA 3.32Å; N327-F332 WeakPolarHBondContact O-CA 3.22Å; N327-F332 PolarHBondContact O-N 3.2Å; N327-F332 PolarHBondContact OD1-N 3.27Å; G328-F332 WeakPolarHBondContact O-CE1 3.32Å; G328-F332 WeakPolarHBondContact O-CZ 3.42Å; I330-F332 WeakPolarHBondContact O-CD2 3.48Å
333Q95Very high92.6Very high66 Ų6690.9 Ų90.931%0.30845%0.447SS..PPolyproline II helixtrans-80146.9-177.6-71.7171.65.600111.2D265 N327 Y331D265-Q333 PolarHBondContact O-NE2 2.98Å; N327-Q333 PolarHBondContact ND2-O 3Å; N327-Q333 WeakPolarHBondContact OD1-CB 3.37Å; N327-Q333 PolarHBondContact OD1-N 3.05Å; Y331-Q333 PolarHBondContact O-N 2.85Å
334K94.9Very high92.1Very high194 Ų19492.7 Ų92.784%0.84346%0.456SS*.PPolyproline II helixtrans-67.8135.5171.8-69.3-171.7177.5178.60109.8P336K334-P336 WeakPolarHBondContact O-CD 3.38Å
335I96.3Very high91.7Very high78 Ų7895.6 Ų95.640%0.447%0.467SS..PPolyproline II helixtrans-82.3120.9174.8-57.4167.2000107.5I271 R272I271-I335 HydrophobicContact CB-CD1 4.48Å; I271-I335 HydrophobicContact CB-CG1 4.37Å; I271-I335 HydrophobicContact CD1-CD1 4.21Å; I271-I335 HydrophobicContact CD1-CG1 4.28Å; I271-I335 HydrophobicContact CG2-CD1 3.83Å; I271-I335 HydrophobicContact CG2-CG1 4.2Å; I271-I335 HydrophobicContact CG2-CG2 4.2Å; R272-I335 HydrophobicContact CB-CG2 3.92Å
336P94.9Very high91.1Very high54 Ų5488.8 Ų88.835%0.35144%0.443SS..PPolyproline II helixtrans-60.3150.2176.2-21.632.2000112.2G268 E269 R272 K334G268-P336 VanDerWaalsContact O-CD 3.29Å; G268-P336 WeakPolarHBondContact O-CD 3.38Å; E269-P336 HydrophobicContact CG-CG 3.93Å; R272-P336 WeakPolarHBondContact CD-O 3.44Å; R272-P336 HydrophobicContact CG-CB 4.41Å; R272-P336 VanDerWaalsContact CG-O 3.3Å; R272-P336 WeakPolarHBondContact CG-O 3.36Å; K334-P336 WeakPolarHBondContact O-CD 3.38Å
337T91.4Very high90.3Very high133 Ų13392.8 Ų92.882%0.81647%0.466SS*.SBendtrans-76-40.7177.3-50.50000111.8R272R272-T337 PolarHBondContact NE-O 3.45Å; R272-T337 PolarHBondContact NH2-O 2.76Å
338E91.9Very high89.7Confident154 Ų154100.6 Ų100.672%0.7250%0.495SS*.SBendtrans-88.3147.4-178.6-61.4-166.1172.800111.9R272R272-E338 WeakPolarHBondContact CG-O 3.48Å
339A88.9Confident89Confident27 Ų27100.4 Ų100.422%0.22349%0.493CS..PPolyproline II helixtrans-70.7148.8174.900000110.1E276 Q341E276-A339 HydrophobicContact CB-CB 4.1Å; E276-A339 HydrophobicContact CG-CB 3.73Å; A339-Q341 PolarHBondContact O-N 2.69Å
340P87Confident88.8Confident29 Ų2995.9 Ų95.919%0.18848%0.476CS..PPolyproline II helixtrans-61.6136.9172.322.5-27.1000110.2Y254 L342Y254-P340 HydrophobicContact CD1-CG 4.24Å; Y254-P340 HydrophobicContact CE1-CG 3.97Å; Y254-P340 VanDerWaalsContact CE1-O 3.31Å; Y254-P340 WeakPolarHBondContact CE1-O 3.41Å; Y254-P340 PolarHBondContact OH-O 3.3Å; Y254-P340 VanDerWaalsContact OH-O 3.12Å; P340-L342 PolarHBondContact O-N 2.81Å
341Q88.5Confident88.8Confident159 Ų15990.8 Ų90.874%0.74345%0.45SS*.PPolyproline II helixtrans-77.5120.2171.6-66.7-179.90.300108.3A339 E343A339-Q341 PolarHBondContact O-N 2.69Å; Q341-E343 PolarHBondContact O-N 3.39Å
342L84.4Confident88.9Confident9 Ų993.6 Ų93.65%0.04747%0.465CS..  trans-82.8103.7-179.7-65.3177.8000109.4Y214 A253 Y254 H257 P340 L344Y214-L342 HydrophobicContact CD2-CB 3.85Å; Y214-L342 HydrophobicContact CD2-CD1 3.75Å; Y214-L342 HydrophobicContact CD2-CG 4.47Å; Y214-L342 HydrophobicContact CE1-CB 4.37Å; Y214-L342 VanDerWaalsContact CE1-O 3.26Å; Y214-L342 WeakPolarHBondContact CE1-O 3.47Å; Y214-L342 HydrophobicContact CE2-CB 3.61Å; Y214-L342 HydrophobicContact CE2-CD1 4.02Å; Y214-L342 HydrophobicContact CE2-CG 4.48Å; Y214-L342 HydrophobicContact CG-CB 4.36Å; Y214-L342 PolarHBondContact OH-O 2.55Å; A253-L342 HydrophobicContact CB-CD1 3.94Å; Y254-L342 HydrophobicContact CD1-CD1 3.88Å; Y254-L342 HydrophobicContact CD1-CD2 4.03Å; Y254-L342 HydrophobicContact CD1-CG 4.06Å; Y254-L342 HydrophobicContact CD2-CD1 3.86Å; Y254-L342 HydrophobicContact CE1-CD1 3.66Å; Y254-L342 HydrophobicContact CE1-CD2 3.9Å; Y254-L342 HydrophobicContact CE1-CG 3.55Å; Y254-L342 HydrophobicContact CE2-CD1 3.66Å; Y254-L342 HydrophobicContact CE2-CG 4.35Å; Y254-L342 HydrophobicContact CG-CD1 3.96Å; H257-L342 HydrophobicContact CB-CD2 4.09Å; P340-L342 PolarHBondContact O-N 2.81Å; L342-L344 HydrophobicContact CD2-CD1 4Å; L342-L344 HydrophobicContact CD2-CG 4.3Å
343E82.8Confident89Confident171 Ų17187.2 Ų87.280%0.79944%0.439SS*.  trans-110.249.8168.8-64.2-173.5173.900109.9Q341Q341-E343 PolarHBondContact O-N 3.39Å
344L84.1Confident89Confident38 Ų3886.6 Ų86.620%0.19944%0.44CS..  trans-85.9130.9-176.2-57.2-178.9000110.2A210 A211 Y214 L342A210-L344 HydrophobicContact CB-CD1 3.62Å; A211-L344 HydrophobicContact CB-CB 3.94Å; Y214-L344 HydrophobicContact CD1-CB 4.13Å; Y214-L344 WeakPolarHBondContact CD1-O 3.34Å; Y214-L344 HydrophobicContact CG-CB 4.44Å; L342-L344 HydrophobicContact CD2-CD1 4Å; L342-L344 HydrophobicContact CD2-CG 4.3Å
345K86.1Confident89.1Confident157 Ų15783.3 Ų83.368%0.68344%0.438SS*.  trans-120.7126.4172-171.2173.8-178.1175.70109.6N347K345-N347 PolarHBondContact O-N 3.11Å
346A83.3Confident89.1Confident4 Ų481.7 Ų81.73%0.03343%0.428CS..  trans-76.7118.2177.800000109.8A211 L212 E215 Y348 L350A211-A346 HydrophobicContact CB-CB 4.05Å; L212-A346 HydrophobicContact CD2-CB 3.92Å; L212-A346 HydrophobicContact CG-CB 4.31Å; E215-A346 HydrophobicContact CG-CB 4.24Å; A346-Y348 VanDerWaalsContact C-N 3.31Å; A346-L350 HydrophobicContact CB-CD2 3.97Å; A346-L350 HydrophobicContact CB-CG 4.09Å
347N78.6Confident89Confident131 Ų13186.8 Ų86.870%0.70145%0.448SS*.SBendtrans-74.5-23.1178.5-66.3-25.1000112.9K345K345-N347 PolarHBondContact O-N 3.11Å
348Y80.7Confident89.3Confident181 Ų18181.5 Ų81.571%0.7141%0.413SS*.SBendtrans-143.4158-177-59.3-78.6000110.1L212 A346 L350L212-Y348 WeakPolarHBondContact CD2-O 3.48Å; A346-Y348 VanDerWaalsContact C-N 3.31Å; Y348-L350 PolarHBondContact O-N 2.93Å
349G82.3Confident89.5Confident41 Ų4175.1 Ų75.142%0.42339%0.385SS..  trans8011.1171.400000115.4Q192Q192-G349 PolarHBondContact NE2-O 2.64Å; Q192-G349 PolarHBondContact OE1-O 2.98Å
350L90.8Very high89.7Confident68 Ų6879 Ų7936%0.35641%0.408SS..PPolyproline II helixtrans-68.1130.5169-70.5176.9000110.4E215 A346 Y348E215-L350 HydrophobicContact CB-CD2 3.88Å; E215-L350 HydrophobicContact CG-CD2 3.99Å; A346-L350 HydrophobicContact CB-CD2 3.97Å; A346-L350 HydrophobicContact CB-CG 4.09Å; Y348-L350 PolarHBondContact O-N 2.93Å
351V94.5Very high90.1Very high4 Ų479.5 Ų79.52%0.02441%0.411CS..PPolyproline II helixtrans-82.1120.8-178.7169.10000111.2K148 Q188 A191K148-V351 HydrophobicContact CD-CG1 3.92Å; K148-V351 HydrophobicContact CG-CG1 3.55Å; Q188-V351 PolarHBondContact NE2-O 3.18Å; A191-V351 HydrophobicContact CB-CB 4.39Å; A191-V351 HydrophobicContact CB-CG1 3.82Å; A191-V351 HydrophobicContact CB-CG2 4.01Å
352E94.9Very high90.5Very high116 Ų11673 Ų7354%0.54238%0.383SS..PPolyproline II helixtrans-102.8145168.8-69.1-59.5147.400111.9K148K148-E352 WeakPolarHBondContact CE-O 3.24Å
353P96.9Very high91Very high18 Ų1877.2 Ų77.212%0.11742%0.419CS..PPolyproline II helixtrans-56.9140.3171.4-23.335.3000111.4A151 K155 Q188A151-P353 HydrophobicContact CB-CB 3.95Å; A151-P353 HydrophobicContact CB-CG 4.11Å; K155-P353 HydrophobicContact CD-CB 4.34Å; K155-P353 HydrophobicContact CD-CG 4.16Å; Q188-P353 HydrophobicContact CG-CG 4.33Å
354V96.8Very high91.6Very high53 Ų5372.4 Ų72.432%0.32140%0.396SS..PPolyproline II helixtrans-75.5126.4171.2169.80000108K148 I149 G152 F356K148-V354 HydrophobicContact CB-CG2 3.85Å; K148-V354 PolarHBondContact O-N 3.25Å; I149-V354 HydrophobicContact CG1-CB 4.45Å; G152-V354 WeakPolarHBondContact CA-O 3.41Å; V354-F356 PolarHBondContact O-N 2.81Å
355P96.5Very high92.1Very high125 Ų12571.2 Ų71.281%0.81239%0.389SS*.PPolyproline II helixtrans-53.6133176-26.835.4000111.2
356F95.8Very high92.5Very high43 Ų4365.8 Ų65.819%0.18937%0.369CS..  trans-122.5138.7178.4174.7-95.4000108.9I153 H156 V354 F358I153-F356 HydrophobicContact CB-CD1 4.39Å; I153-F356 HydrophobicContact CB-CG 4.34Å; I153-F356 HydrophobicContact CD1-CD2 4.36Å; I153-F356 HydrophobicContact CD1-CE2 4.42Å; I153-F356 HydrophobicContact CG1-CB 4.11Å; I153-F356 HydrophobicContact CG1-CD1 4.02Å; I153-F356 HydrophobicContact CG1-CD2 3.55Å; I153-F356 HydrophobicContact CG1-CE1 4.36Å; I153-F356 HydrophobicContact CG1-CE2 3.92Å; I153-F356 HydrophobicContact CG1-CG 3.59Å; I153-F356 HydrophobicContact CG1-CZ 4.31Å; I153-F356 HydrophobicContact CG2-CD1 4.45Å; I153-F356 HydrophobicContact CG2-CE1 4.45Å; H156-F356 HydrophobicContact CB-CB 4.36Å; H156-F356 HydrophobicContact CB-CD1 4.05Å; H156-F356 AromaticContact CD2-CD1 3.72Å; H156-F356 PolarHBondContact ND1-O 3.03Å; V354-F356 PolarHBondContact O-N 2.81Å; F356-F358 AromaticContact CE1-CD1 3.83Å; F356-F358 HydrophobicContact CE1-CD1 3.83Å; F356-F358 HydrophobicContact CE1-CD2 4.19Å; F356-F358 AromaticContact CE1-CE1 3.8Å; F356-F358 HydrophobicContact CE1-CE1 3.8Å; F356-F358 HydrophobicContact CE1-CE2 4.17Å; F356-F358 HydrophobicContact CE1-CG 4.04Å; F356-F358 AromaticContact CE1-CZ 3.99Å; F356-F358 HydrophobicContact CE1-CZ 3.99Å; F356-F358 AromaticContact CZ-CD1 3.84Å; F356-F358 HydrophobicContact CZ-CD1 3.84Å; F356-F358 AromaticContact CZ-CE1 3.95Å; F356-F358 HydrophobicContact CZ-CE1 3.95Å; F356-F358 HydrophobicContact CZ-CG 4.37Å
357E93.8Very high92.9Very high162 Ų16269.7 Ų69.776%0.75740%0.395SS*.  trans-136146169.6-66.5-177.2169.400107.7
358F95.8Very high93.5Very high22 Ų2269.7 Ų69.710%0.09639%0.39CS..PPolyproline II helixtrans-67153.2170-72.6-69.8000110.1F65 L111 H156 L157 H161 F356F65-F358 HydrophobicContact CB-CD1 3.97Å; F65-F358 HydrophobicContact CD1-CD1 4.27Å; F65-F358 HydrophobicContact CD1-CE1 4.01Å; F65-F358 AromaticContact CD2-CD1 3.67Å; F65-F358 HydrophobicContact CD2-CD1 3.67Å; F65-F358 AromaticContact CD2-CE1 3.72Å; F65-F358 HydrophobicContact CD2-CE1 3.72Å; F65-F358 HydrophobicContact CE1-CE1 4.07Å; F65-F358 HydrophobicContact CE2-CD1 4.2Å; F65-F358 AromaticContact CE2-CE1 3.78Å; F65-F358 HydrophobicContact CE2-CE1 3.78Å; F65-F358 AromaticContact CG-CD1 3.73Å; F65-F358 HydrophobicContact CG-CD1 3.73Å; F65-F358 AromaticContact CG-CE1 3.86Å; F65-F358 HydrophobicContact CG-CE1 3.86Å; F65-F358 AromaticContact CZ-CE1 3.97Å; F65-F358 HydrophobicContact CZ-CE1 3.97Å; L111-F358 HydrophobicContact CD1-CD1 3.94Å; L111-F358 HydrophobicContact CD1-CD2 4.35Å; L111-F358 HydrophobicContact CD1-CE1 3.66Å; L111-F358 HydrophobicContact CD1-CE2 4.09Å; L111-F358 HydrophobicContact CD1-CG 4.26Å; L111-F358 HydrophobicContact CD1-CZ 3.73Å; L111-F358 HydrophobicContact CD2-CD2 4.13Å; L111-F358 HydrophobicContact CD2-CE2 3.88Å; L111-F358 HydrophobicContact CD2-CZ 4.28Å; L111-F358 HydrophobicContact CG-CD2 4.43Å; L111-F358 HydrophobicContact CG-CE1 4.22Å; L111-F358 HydrophobicContact CG-CE2 3.88Å; L111-F358 HydrophobicContact CG-CZ 3.75Å; H156-F358 AromaticContact CD2-CE2 3.98Å; H156-F358 AromaticContact NE2-CD2 3.8Å; L157-F358 HydrophobicContact CD2-CE2 3.9Å; L157-F358 HydrophobicContact CD2-CZ 3.7Å; H161-F358 AromaticContact CD2-CE2 3.75Å; H161-F358 AromaticContact CE1-CD2 3.81Å; H161-F358 AromaticContact CE1-CE2 3.88Å; H161-F358 AromaticContact NE2-CD2 3.44Å; H161-F358 WeakPolarHBondContact NE2-CD2 3.49Å; H161-F358 AromaticContact NE2-CE2 3.4Å; H161-F358 WeakPolarHBondContact NE2-CE2 3.49Å; F356-F358 AromaticContact CE1-CD1 3.83Å; F356-F358 HydrophobicContact CE1-CD1 3.83Å; F356-F358 HydrophobicContact CE1-CD2 4.19Å; F356-F358 AromaticContact CE1-CE1 3.8Å; F356-F358 HydrophobicContact CE1-CE1 3.8Å; F356-F358 HydrophobicContact CE1-CE2 4.17Å; F356-F358 HydrophobicContact CE1-CG 4.04Å; F356-F358 AromaticContact CE1-CZ 3.99Å; F356-F358 HydrophobicContact CE1-CZ 3.99Å; F356-F358 AromaticContact CZ-CD1 3.84Å; F356-F358 HydrophobicContact CZ-CD1 3.84Å; F356-F358 AromaticContact CZ-CE1 3.95Å; F356-F358 HydrophobicContact CZ-CE1 3.95Å; F356-F358 HydrophobicContact CZ-CG 4.37Å
359P96.3Very high94.1Very high20 Ų2061.4 Ų61.413%0.1336%0.358CS..PPolyproline II helixtrans-58.2161.3172.431-41.3000110.5D62 F65 Q69D62-P359 HydrophobicContact CB-CB 4.41Å; D62-P359 HydrophobicContact CB-CG 4.37Å; F65-P359 HydrophobicContact CB-CG 3.88Å; Q69-P359 PolarHBondContact NE2-O 3.21Å; Q69-P359 PolarHBondContact OE1-O 3.11Å
360P94.8Very high94.6Very high109 Ų10960.9 Ų60.971%0.70835%0.346SS*.PPolyproline II helixtrans-63.7162.8170.228.2-35000111.6S66 S362S66-P360 WeakPolarHBondContact CA-O 3.33Å; S66-P360 VanDerWaalsContact CB-O 3.25Å; S66-P360 WeakPolarHBondContact CB-O 3.46Å; P360-S362 PolarHBondContact O-N 3.19Å
361T95.5Very high94.6Very high38 Ų3861 Ų6123%0.23336%0.356CS..PPolyproline II helixtrans-54.7133.8171.5-54.60000109.9N73 L75 A363 W365N73-T361 PolarHBondContact ND2-OG1 3.47Å; L75-T361 HydrophobicContact CD2-CG2 4.17Å; T361-A363 PolarHBondContact O-N 3.44Å; T361-W365 HydrophobicContact CG2-CB 4.04Å; T361-W365 HydrophobicContact CG2-CG 4.16Å
362S96.4Very high94.6Very high23 Ų2361.5 Ų61.516%0.16136%0.361CS..PPolyproline II helixtrans-58.5136.7-178.7174.90000111.3S66 P360 Q364 W365S66-S362 WeakPolarHBondContact O-CB 3.31Å; S66-S362 PolarHBondContact O-N 3.39Å; P360-S362 PolarHBondContact O-N 3.19Å; S362-Q364 PolarHBondContact O-N 3.09Å; S362-Q364 PolarHBondContact OG-N 3.14Å; S362-W365 WeakPolarHBondContact O-CB 3.35Å; S362-W365 PolarHBondContact O-N 3.05Å
363A94.9Very high94.5Very high97 Ų9756 Ų5680%0.80234%0.335SS*.THydrogen-bonded Turntrans-61.2-11.1174.600000113.7T361 W365T361-A363 PolarHBondContact O-N 3.44Å; A363-W365 PolarHBondContact O-N 2.85Å
364Q94.1Very high94.3Very high70 Ų7057.3 Ų57.333%0.32734%0.341SS..THydrogen-bonded Turntrans-65.8-25.9170.3-66.8-172.5-25.700112.5I32 D35 S362 T366I32-Q364 HydrophobicContact CD1-CB 4.14Å; I32-Q364 HydrophobicContact CG1-CB 4.26Å; D35-Q364 PolarHBondContact OD2-NE2 2.94Å; D35-Q364 PolarHBondContact OD2-OE1 3.3Å; S362-Q364 PolarHBondContact O-N 3.09Å; S362-Q364 PolarHBondContact OG-N 3.14Å; Q364-T366 PolarHBondContact O-N 3.33Å
365W95Very high93.8Very high13 Ų1357.1 Ų57.15%0.04934%0.339CS..  trans-78.4101.7176-76.4109.4000110.8I32 L67 F71 L75 L84 T361 S362 A363 L370 F373I32-W365 HydrophobicContact CD1-CD2 3.64Å; I32-W365 HydrophobicContact CD1-CE3 3.83Å; I32-W365 HydrophobicContact CD1-CG 4.1Å; I32-W365 HydrophobicContact CD1-CH2 4.34Å; I32-W365 HydrophobicContact CD1-CZ2 4.2Å; I32-W365 HydrophobicContact CD1-CZ3 4.17Å; I32-W365 HydrophobicContact CG2-CH2 3.84Å; I32-W365 HydrophobicContact CG2-CZ2 3.49Å; I32-W365 VanDerWaalsContact CG2-CZ2 3.49Å; L67-W365 PolarHBondContact O-NE1 3.28Å; F71-W365 AromaticContact CD1-CH2 3.86Å; F71-W365 HydrophobicContact CD1-CH2 3.86Å; F71-W365 AromaticContact CD1-CZ2 3.71Å; F71-W365 HydrophobicContact CD1-CZ2 3.71Å; F71-W365 AromaticContact CE1-CH2 3.64Å; F71-W365 HydrophobicContact CE1-CH2 3.64Å; F71-W365 AromaticContact CE1-CZ2 3.63Å; F71-W365 HydrophobicContact CE1-CZ2 3.63Å; L75-W365 HydrophobicContact CD1-CB 4.46Å; L75-W365 HydrophobicContact CD2-CB 3.69Å; L84-W365 HydrophobicContact CD1-CH2 3.65Å; L84-W365 HydrophobicContact CD1-CZ3 3.92Å; T361-W365 HydrophobicContact CG2-CB 4.04Å; T361-W365 HydrophobicContact CG2-CG 4.16Å; S362-W365 WeakPolarHBondContact O-CB 3.35Å; S362-W365 PolarHBondContact O-N 3.05Å; A363-W365 PolarHBondContact O-N 2.85Å; W365-L370 HydrophobicContact CE3-CD1 4.34Å; W365-L370 HydrophobicContact CZ3-CD1 3.94Å; W365-F373 AromaticContact CH2-CE2 3.73Å; W365-F373 HydrophobicContact CH2-CE2 3.73Å; W365-F373 AromaticContact CH2-CZ 3.87Å; W365-F373 HydrophobicContact CH2-CZ 3.87Å; W365-F373 HydrophobicContact CZ3-CD2 4.19Å; W365-F373 AromaticContact CZ3-CE2 3.62Å; W365-F373 HydrophobicContact CZ3-CE2 3.62Å; W365-F373 HydrophobicContact CZ3-CZ 4.25Å
366T94.1Very high93.4Very high43 Ų4357 Ų5726%0.26434%0.336SS..  trans-111.4159.8173.5780000111Q364 E368 T369 L370Q364-T366 PolarHBondContact O-N 3.33Å; T366-E368 WeakPolarHBondContact CB-OE2 3.21Å; T366-E368 PolarHBondContact O-N 3.18Å; T366-E368 PolarHBondContact OG1-OE2 3.14Å; T366-T369 PolarHBondContact O-N 2.95Å; T366-T369 PolarHBondContact OG1-N 3.5Å; T366-T369 PolarHBondContact OG1-OG1 2.65Å; T366-T369 VanDerWaalsContact OG1-OG1 3.06Å; T366-L370 PolarHBondContact O-N 3.4Å
367P92Very high92.7Very high87 Ų8760 Ų6057%0.56535%0.349SS*.Hα-helixtrans-53.9-38.2174.8-27.436.5000113.1L370 A371P367-L370 PolarHBondContact O-N 3.01Å; P367-A371 VanDerWaalsContact O-CB 3.3Å; P367-A371 WeakPolarHBondContact O-CB 3.09Å; P367-A371 PolarHBondContact O-N 3.2Å
368E91.6Very high91.8Very high130 Ų13057.1 Ų57.161%0.60733%0.331SS*.Hα-helixtrans-65.4-41.8177.3-54.871.1-150.800111T366 A371 A372T366-E368 WeakPolarHBondContact CB-OE2 3.21Å; T366-E368 PolarHBondContact O-N 3.18Å; T366-E368 PolarHBondContact OG1-OE2 3.14Å; E368-A371 PolarHBondContact O-N 2.9Å; E368-A372 PolarHBondContact O-N 3.23Å; E368-A372 VanDerWaalsContact O-N 3.16Å
369T93.3Very high90.1Very high7 Ų760.3 Ų60.34%0.04335%0.354CS..Hα-helixtrans-68.7-37.5178.3-55.50000111.3A29 I32 T366 A372 F373A29-T369 HydrophobicContact CB-CG2 4.2Å; I32-T369 HydrophobicContact CD1-CG2 3.45Å; I32-T369 VanDerWaalsContact CD1-CG2 3.45Å; I32-T369 HydrophobicContact CG1-CG2 4.16Å; T366-T369 PolarHBondContact O-N 2.95Å; T366-T369 PolarHBondContact OG1-N 3.5Å; T366-T369 PolarHBondContact OG1-OG1 2.65Å; T366-T369 VanDerWaalsContact OG1-OG1 3.06Å; T369-A372 WeakPolarHBondContact O-CB 3.39Å; T369-A372 PolarHBondContact O-N 3.07Å; T369-F373 WeakPolarHBondContact O-CD2 3.3Å; T369-F373 WeakPolarHBondContact O-CE2 3.42Å
370L92.5Very high87.9Confident30 Ų3069 Ų6916%0.15739%0.389CS..Hα-helixtrans-70.8-35.5175.5-170.563.3000112L75 K83 L84 W365 T366 P367 A372 F373L75-L370 HydrophobicContact CD1-CB 4.02Å; L75-L370 HydrophobicContact CD1-CD2 3.86Å; L75-L370 HydrophobicContact CG-CD2 4.19Å; K83-L370 WeakPolarHBondContact CE-O 3.28Å; K83-L370 PolarHBondContact NZ-O 3.42Å; L84-L370 HydrophobicContact CD1-CD1 3.65Å; L84-L370 HydrophobicContact CG-CD1 3.99Å; W365-L370 HydrophobicContact CE3-CD1 4.34Å; W365-L370 HydrophobicContact CZ3-CD1 3.94Å; T366-L370 PolarHBondContact O-N 3.4Å; P367-L370 PolarHBondContact O-N 3.01Å; L370-A372 VanDerWaalsContact C-N 3.26Å; L370-A372 PolarHBondContact O-N 3.36Å; L370-F373 PolarHBondContact O-N 2.8Å
371A91.9Very high85.5Confident70 Ų7071 Ų7158%0.57939%0.394SS*.Hα-helixtrans-63.5-32.6174.900000112.3P367 E368 F373P367-A371 VanDerWaalsContact O-CB 3.3Å; P367-A371 WeakPolarHBondContact O-CB 3.09Å; P367-A371 PolarHBondContact O-N 3.2Å; E368-A371 PolarHBondContact O-N 2.9Å; A371-F373 PolarHBondContact O-N 2.83Å; A371-F373 VanDerWaalsContact O-N 3.16Å
372A93.8Very high82.7Confident15 Ų1576.7 Ų76.712%0.12442%0.423CS..THydrogen-bonded Turntrans-65.3-10.9176.200000115.1T25 A29 E368 T369 L370T25-A372 PolarHBondContact N-O 3.36Å; T25-A372 WeakPolarHBondContact O-CB 3.5Å; T25-A372 PolarHBondContact OG1-O 3.48Å; A29-A372 HydrophobicContact CB-CB 3.67Å; E368-A372 PolarHBondContact O-N 3.23Å; E368-A372 VanDerWaalsContact O-N 3.16Å; T369-A372 WeakPolarHBondContact O-CB 3.39Å; T369-A372 PolarHBondContact O-N 3.07Å; L370-A372 VanDerWaalsContact C-N 3.26Å; L370-A372 PolarHBondContact O-N 3.36Å
373F93Very high80.4Confident0 Ų080.3 Ų80.30%045%0.449CS..BIsolated β-bridgetrans-91.7100.8168-66.6-98.8000110.6Y20 V23 V24 A29 K83 L84 I87 W365 T369 L370 A371Y20-F373 HydrophobicContact CD2-CD1 4.45Å; Y20-F373 HydrophobicContact CD2-CE1 4.05Å; Y20-F373 HydrophobicContact CE2-CE1 4.14Å; V23-F373 CarbonylContact O-C 3.46Å; V23-F373 WeakPolarHBondContact O-CA 3.47Å; V24-F373 HydrophobicContact CG2-CD1 3.86Å; V24-F373 HydrophobicContact CG2-CE1 3.69Å; A29-F373 HydrophobicContact CB-CD2 4.08Å; A29-F373 HydrophobicContact CB-CE2 3.57Å; A29-F373 HydrophobicContact CB-CZ 3.97Å; K83-F373 WeakPolarHBondContact CE-O 3.4Å; K83-F373 PolarHBondContact NZ-O 3.26Å; L84-F373 HydrophobicContact CD1-CB 4.33Å; L84-F373 HydrophobicContact CD1-CD1 4.01Å; L84-F373 HydrophobicContact CD1-CD2 4Å; L84-F373 HydrophobicContact CD1-CE1 4.3Å; L84-F373 HydrophobicContact CD1-CE2 4.3Å; L84-F373 HydrophobicContact CD1-CG 3.86Å; L84-F373 HydrophobicContact CD1-CZ 4.45Å; L84-F373 HydrophobicContact CD2-CB 3.69Å; L84-F373 HydrophobicContact CD2-CD1 4.07Å; L84-F373 HydrophobicContact CD2-CG 3.98Å; I87-F373 HydrophobicContact CD1-CD1 4.5Å; W365-F373 AromaticContact CH2-CE2 3.73Å; W365-F373 HydrophobicContact CH2-CE2 3.73Å; W365-F373 AromaticContact CH2-CZ 3.87Å; W365-F373 HydrophobicContact CH2-CZ 3.87Å; W365-F373 HydrophobicContact CZ3-CD2 4.19Å; W365-F373 AromaticContact CZ3-CE2 3.62Å; W365-F373 HydrophobicContact CZ3-CE2 3.62Å; W365-F373 HydrophobicContact CZ3-CZ 4.25Å; T369-F373 WeakPolarHBondContact O-CD2 3.3Å; T369-F373 WeakPolarHBondContact O-CE2 3.42Å; L370-F373 PolarHBondContact O-N 2.8Å; A371-F373 PolarHBondContact O-N 2.83Å; A371-F373 VanDerWaalsContact O-N 3.16Å
374D91.5Very high77.7Confident46 Ų4681.5 Ų81.525%0.24645%0.446CS..  trans-100.395.4-179.2-175.6-3.1000111.1V23 T376 K377V23-D374 WeakPolarHBondContact CG1-O 3.49Å; V23-D374 PolarHBondContact O-N 3.44Å; D374-T376 PolarHBondContact O-N 3.16Å; D374-T376 WeakPolarHBondContact OD1-CB 3.37Å; D374-T376 PolarHBondContact OD1-N 3.24Å; D374-T376 VanDerWaalsContact OD1-N 3.08Å; D374-T376 PolarHBondContact OD1-OG1 3.41Å; D374-T376 PolarHBondContact OD2-OG1 3.43Å; D374-K377 HydrophobicContact CB-CD 4.19Å; D374-K377 HydrophobicContact CB-CG 4.42Å; D374-K377 PolarHBondContact O-N 3.16Å; D374-K377 VanDerWaalsContact O-N 3.14Å; D374-K377 WeakPolarHBondContact OD2-CD 3.42Å; D374-K377 WeakPolarHBondContact OD2-CE 3.3Å; D374-K377 IonicContact OD2-NZ 2.84Å; D374-K377 PolarHBondContact OD2-NZ 3.37Å
375L88.2Confident74.7Confident50 Ų5087.2 Ų87.226%0.26247%0.47SS..G310 helixtrans-66-15.7-177.7-61.2177.8000113.5V23 K83 L84 I87 K377 R378V23-L375 HydrophobicContact CG1-CD2 4.13Å; K83-L375 HydrophobicContact CB-CD1 4.15Å; K83-L375 HydrophobicContact CD-CD1 4.36Å; K83-L375 HydrophobicContact CG-CD1 4.25Å; K83-L375 VanDerWaalsContact O-CD1 3.31Å; K83-L375 WeakPolarHBondContact O-CD1 3.36Å; L84-L375 HydrophobicContact CD2-CD2 4.04Å; I87-L375 HydrophobicContact CD1-CD2 3.77Å; I87-L375 HydrophobicContact CG1-CD2 4.1Å; L375-K377 PolarHBondContact O-N 2.74Å; L375-R378 WeakPolarHBondContact O-CG 3.46Å; L375-R378 PolarHBondContact O-N 3.06Å
376T86.3Confident71.9Confident122 Ų12292.6 Ų92.675%0.74851%0.506SS*.G310 helixtrans-71.6-21.5176.272.50000112.2D374 R378D374-T376 PolarHBondContact O-N 3.16Å; D374-T376 WeakPolarHBondContact OD1-CB 3.37Å; D374-T376 PolarHBondContact OD1-N 3.24Å; D374-T376 VanDerWaalsContact OD1-N 3.08Å; D374-T376 PolarHBondContact OD1-OG1 3.41Å; D374-T376 PolarHBondContact OD2-OG1 3.43Å; T376-R378 VanDerWaalsContact C-N 3.28Å; T376-R378 PolarHBondContact O-N 2.89Å
377K82.7Confident69.3Low107 Ų10798.9 Ų98.947%0.46553%0.53SS..G310 helixtrans-89.514.1177.2-64.7178.4-178.5160.10113.4G22 D374 L375G22-K377 WeakPolarHBondContact O-CB 3.45Å; G22-K377 VanDerWaalsContact O-CD 3.3Å; G22-K377 WeakPolarHBondContact O-CD 3.19Å; D374-K377 HydrophobicContact CB-CD 4.19Å; D374-K377 HydrophobicContact CB-CG 4.42Å; D374-K377 PolarHBondContact O-N 3.16Å; D374-K377 VanDerWaalsContact O-N 3.14Å; D374-K377 WeakPolarHBondContact OD2-CD 3.42Å; D374-K377 WeakPolarHBondContact OD2-CE 3.3Å; D374-K377 IonicContact OD2-NZ 2.84Å; D374-K377 PolarHBondContact OD2-NZ 3.37Å; L375-K377 PolarHBondContact O-N 2.74Å
378R73.8Confident66.7Low101 Ų101100.5 Ų100.538%0.38154%0.541SS..PPolyproline II helixtrans-55128.8169.3-82.5-177.1-176-1695108V23 Y86 L375 T376 K380V23-R378 HydrophobicContact CG2-CB 4.34Å; V23-R378 HydrophobicContact CG2-CG 3.78Å; Y86-R378 PolarHBondContact O-NH2 3.22Å; L375-R378 WeakPolarHBondContact O-CG 3.46Å; L375-R378 PolarHBondContact O-N 3.06Å; T376-R378 VanDerWaalsContact C-N 3.28Å; T376-R378 PolarHBondContact O-N 2.89Å; R378-K380 PolarHBondContact O-N 3.26Å
379P59.5Low64.5Low89 Ų89102.5 Ų102.558%0.57855%0.55SS*.PPolyproline II helixtrans-50.6129.2170.2-2230.9000108.3D381P379-D381 PolarHBondContact O-N 2.85Å
380K52Low62.6Low202 Ų202108 Ų10888%0.87858%0.575SS**PPolyproline II helixtrans-56.2125.1166.3-76.1-178.1177.3179.30105.9R378 D382R378-K380 PolarHBondContact O-N 3.26Å; K380-D382 PolarHBondContact O-N 3.04Å
381D44.1Very low61.1Low152 Ų152113.9 Ų113.981%0.81360%0.602SS**  trans-51.4108.2177.4-110.3-27.9000108.7P379 S383P379-D381 PolarHBondContact O-N 2.85Å; D381-S383 PolarHBondContact O-N 3.24Å
382D36.3Very low60.3Low156 Ų156111.1 Ų111.183%0.83458%0.578SS**  trans-72.478.7164-120-2.1000106K380 T384K380-D382 PolarHBondContact O-N 3.04Å; D382-T384 VanDerWaalsContact C-N 3.25Å; D382-T384 PolarHBondContact O-N 2.93Å
383S47.2Very low59.4Low100 Ų100118.2 Ų118.270%0.69961%0.606SS**  trans-63.685.5170460000108.5D381D381-S383 PolarHBondContact O-N 3.24Å
384T38.2Very low58.3Low121 Ų121121.3 Ų121.374%0.74263%0.626SS**SBendtrans-170.335.6160.318.40000114.7D382D382-T384 VanDerWaalsContact C-N 3.25Å; D382-T384 PolarHBondContact O-N 2.93Å
385K31.7Very low57.6Low191 Ų191121.2 Ų121.283%0.8363%0.627SS**  trans-166.7124.7152.3-102.8146.2-164.9-173.80110.2K387K385-K387 PolarHBondContact O-N 3.44Å; K385-K387 VanDerWaalsContact O-N 3.08Å
386P35.6Very low56.9Low125 Ų125127.9 Ų127.981%0.81265%0.653SS**PPolyproline II helixtrans-57119.3164.2-1.110.1000107.2
387K39.2Very low56.4Low175 Ų175125.2 Ų125.276%0.76163%0.633SS**PPolyproline II helixtrans-53.5136.2162.6-83.7178.8177.3173.50106.4K385 E389K385-K387 PolarHBondContact O-N 3.44Å; K385-K387 VanDerWaalsContact O-N 3.08Å; K387-E389 PolarHBondContact O-N 3.47Å; K387-E389 VanDerWaalsContact O-N 3.11Å
388P38.3Very low55.7Low122 Ų122122.2 Ų122.279%0.79262%0.624SS**PPolyproline II helixtrans-48.6126.9174.5-21.330.4000107.6E390P388-E390 PolarHBondContact O-N 3Å
389E45.5Very low54.9Low172 Ų172124.3 Ų124.380%0.80464%0.643SS**  trans-55.7108.1176.1-72.5-172.4151.800107.3K387 E391K387-E389 PolarHBondContact O-N 3.47Å; K387-E389 VanDerWaalsContact O-N 3.11Å; E389-E391 PolarHBondContact O-N 2.81Å
390E53.7Low54.6Low122 Ų122124.5 Ų124.557%0.5764%0.638SS**  trans-64.1108.7176.8-154.4173.7-164.700106.4P388 V392P388-E390 PolarHBondContact O-N 3Å; E390-V392 PolarHBondContact O-N 3.4Å
391E60.8Low54.3Low153 Ų153122.3 Ų122.372%0.71563%0.629SS**  trans-64.1117.3-172.3-163.3178.3-164.100108.5E389 K393E389-E391 PolarHBondContact O-N 2.81Å; E391-K393 PolarHBondContact O-N 3.18Å
392V75.3Confident54.1Low12 Ų12119.4 Ų119.47%0.07362%0.618CS.*  trans-74.195.8179.9-177.30000107.9A12 A14 K91 T93 P101 E390A12-V392 HydrophobicContact CB-CG1 3.61Å; A14-V392 HydrophobicContact CB-CG2 4.26Å; K91-V392 HydrophobicContact CD-CG2 3.47Å; K91-V392 VanDerWaalsContact CD-CG2 3.47Å; K91-V392 HydrophobicContact CG-CG2 3.89Å; T93-V392 HydrophobicContact CG2-CB 4.23Å; T93-V392 HydrophobicContact CG2-CG1 3.78Å; P101-V392 HydrophobicContact CB-CB 4.48Å; P101-V392 HydrophobicContact CB-CG2 4.13Å; P101-V392 HydrophobicContact CG-CG2 4.31Å; E390-V392 PolarHBondContact O-N 3.4Å
393K73.8Confident53.9Low165 Ų165120 Ų12072%0.71762%0.616SS**PPolyproline II helixtrans-63.7135.5179.7-66.8-179.5-177.3174.50109.9A12 E391A12-K393 VanDerWaalsContact CB-O 3.25Å; A12-K393 WeakPolarHBondContact CB-O 3.45Å; E391-K393 PolarHBondContact O-N 3.18Å
394P71.4Confident53.1Low65 Ų65123.6 Ų123.642%0.42262%0.619SS.*PPolyproline II helixtrans-54.3144.8173.3-26.335.1000111.6Q99 K396Q99-P394 HydrophobicContact CG-CG 3.87Å; P394-K396 PolarHBondContact O-N 3.33Å
395V75.9Confident52.7Low43 Ų43123 Ų12326%0.26161%0.611SS.*PPolyproline II helixtrans-61.2122.9171.5-178.10000108.2L10 K11 A12 T48 E397L10-V395 HydrophobicContact CB-CB 4.21Å; L10-V395 HydrophobicContact CB-CG1 4.29Å; L10-V395 HydrophobicContact CB-CG2 4.14Å; L10-V395 HydrophobicContact CD1-CG1 3.99Å; K11-V395 VanDerWaalsContact O-CG2 3.3Å; K11-V395 WeakPolarHBondContact O-CG2 3.43Å; A12-V395 HydrophobicContact CB-CG2 3.83Å; T48-V395 HydrophobicContact CG2-CG1 3.23Å; V395-E397 VanDerWaalsContact C-N 3.33Å; V395-E397 HydrophobicContact CG1-CG 4.36Å; V395-E397 PolarHBondContact O-N 3Å
396K74.1Confident52.5Low190 Ų190119.7 Ų119.783%0.82661%0.607SS**  trans-7589.7172.8-72.3-174.2179.3-178.30108.6T48 P394T48-K396 WeakPolarHBondContact CG2-O 3.48Å; P394-K396 PolarHBondContact O-N 3.33Å
397E74.6Confident52.5Low66 Ų66116.5 Ų116.531%0.30860%0.597SS.*  trans-70.6139175.8-58.2-166.9155.600110.3L10 K124 V395L10-E397 WeakPolarHBondContact CB-OE1 3.13Å; L10-E397 HydrophobicContact CD1-CG 4.43Å; L10-E397 VanDerWaalsContact CG-OE1 3.26Å; L10-E397 WeakPolarHBondContact CG-OE1 3.4Å; L10-E397 PolarHBondContact N-OE1 3.2Å; K124-E397 WeakPolarHBondContact CE-OE1 3.34Å; K124-E397 IonicContact NZ-OE1 2.75Å; K124-E397 PolarHBondContact NZ-OE1 2.92Å; K124-E397 IonicContact NZ-OE2 3.74Å; K124-E397 PolarHBondContact NZ-OE2 3.5Å; V395-E397 VanDerWaalsContact C-N 3.33Å; V395-E397 HydrophobicContact CG1-CG 4.36Å; V395-E397 PolarHBondContact O-N 3Å
398P69.2Low52.1Low44 Ų44114.6 Ų114.629%0.28659%0.594SS.*  trans-60.8141.8172.923.8-30.9000110.1L50 I400L50-P398 HydrophobicContact CD1-CB 4.03Å; L50-P398 HydrophobicContact CD2-CB 3.83Å; L50-P398 HydrophobicContact CD2-CG 3.47Å; L50-P398 VanDerWaalsContact CD2-CG 3.47Å; L50-P398 HydrophobicContact CG-CB 4.04Å; L50-P398 HydrophobicContact CG-CG 4Å; P398-I400 WeakPolarHBondContact O-CG1 3.12Å; P398-I400 PolarHBondContact O-N 2.67Å
399D57Low51.7Low146 Ų146115.1 Ų115.178%0.78160%0.595SS**  trans-66.196.3176.1-97.1-22.9000110K401D399-K401 PolarHBondContact O-N 3.41Å
400I53.4Low51Low92 Ų92112.7 Ų112.747%0.47260%0.595SS.*  trans-82.562.9173.4-45.2172000108.5R128 P398R128-I400 HydrophobicContact CG-CG2 4.3Å; P398-I400 WeakPolarHBondContact O-CG1 3.12Å; P398-I400 PolarHBondContact O-N 2.67Å
401K43.9Very low49.9Very low157 Ų157113.7 Ų113.768%0.68360%0.604SS**  trans-70.3141.3159.7-71.4179.9-175.5168.70107D399 Q403D399-K401 PolarHBondContact O-N 3.41Å; K401-Q403 PolarHBondContact O-N 3.4Å
402P40Very low48.4Very low91 Ų91115.6 Ų115.659%0.59161%0.61SS**  trans-54.1115.3167.2-13.124.3000106.3K404P402-K404 VanDerWaalsContact C-N 3.32Å; P402-K404 PolarHBondContact O-N 3.05Å
403Q33.6Very low46.4Very low168 Ų168120.8 Ų120.879%0.78564%0.642SS**  trans-59.9106.9166.4-90.8176.8-38.900104.8K401 D405K401-Q403 PolarHBondContact O-N 3.4Å; Q403-D405 VanDerWaalsContact C-N 3.25Å; Q403-D405 PolarHBondContact O-N 3.21Å
404K29.5Very low44.4Very low175 Ų175118.2 Ų118.276%0.76164%0.64SS**  trans-58.2107.9148.8-81.1-175.6175-176.40103.3P402 T406P402-K404 VanDerWaalsContact C-N 3.32Å; P402-K404 PolarHBondContact O-N 3.05Å; K404-T406 PolarHBondContact O-N 3.06Å
405D29.2Very low42.4Very low108 Ų108120.6 Ų120.658%0.57866%0.656SS**  trans-54.3106158.3-98.6-23.8000104.7Q403 G407Q403-D405 VanDerWaalsContact C-N 3.25Å; Q403-D405 PolarHBondContact O-N 3.21Å; D405-G407 PolarHBondContact O-N 3.22Å
406T28.6Very low40.2Very low122 Ų122126.7 Ų126.775%0.74868%0.682SS**  trans-69.470.4160.346.80000106K404 I408K404-T406 PolarHBondContact O-N 3.06Å; T406-I408 PolarHBondContact O-N 2.7Å
407G34.4Very low38.3Very low58 Ų58124.6 Ų124.660%0.59868%0.679SS**  trans-56.6119.6153.300000105.9D405D405-G407 PolarHBondContact O-N 3.22Å
408I31.6Very low36.3Very low136 Ų136129 Ų12970%0.69770%0.703SS**  trans107.981.2-179.7-52.8154.5000112.8T406T406-I408 PolarHBondContact O-N 2.7Å
409T30.5Very low34.8Very low132 Ų132132.8 Ų132.881%0.8173%0.726SS**SBend-159.736.7127.820.40000113
410C30Very low33.9Very low121 Ų121135.1 Ų135.182%0.81873%0.729SS**SBendtrans-127.324.2167.1-93.70000113.3
411L30.2Very low33.1Very low144 Ų144142.6 Ų142.675%0.75477%0.769SS**SBendtrans-1174.7176.3-103.6138.4000114.3
412F29.9Very low32.5Very low193 Ų193141.9 Ų141.985%0.84677%0.773SS**SBendtrans-103.14.3177.1-99.3-81.4000115.5
413V33Very low32.2Very low121 Ų121144.5 Ų144.573%0.73378%0.782SS**SBendtrans-107.6-9.2178.7-177.90000113.3
414V31.8Very low32.1Very low111 Ų111143.2 Ų143.267%0.67378%0.782SS**SBendtrans-103.3-10.7-175.9-1750000113.9
415C29.9Very low32.2Very low114 Ų114141.4 Ų141.477%0.7778%0.784SS**THydrogen-bonded Turntrans-94.89.4177.9-90.70000115.6
416H30.9Very low32.4Very low172 Ų172143.4 Ų143.480%0.79680%0.796SS**THydrogen-bonded Turntrans-116.611.5179.5-123.958.8000115.3
417L32.9Very low32.7Very low146 Ų146144.9 Ų144.976%0.76480%0.8SS**SBendtrans-12710.4-177.7-109.1127.4000115.6
418L32.8Very low32.5Very low157 Ų157151.1 Ų151.182%0.82281%0.814SS**SBendtrans-122.725176.3-79.3166.5000114.1
419T38.4Very low32.6Very low124 Ų124152.2 Ų152.276%0.76182%0.823SS**SBendtrans-116.617.1167.820.80000113.5
420K37.8Very low32.8Very low195 Ų195153.9 Ų153.985%0.84882%0.824SS**  trans-142.281.4165.8-76.1-170.8177.9-179.90110
421L36.1Very low33.1Very low249 Ų249156.9 Ų156.9100%1.30483%0.825SS**  trans-163.30147.7-102.6161.1000108.7

Retrieved 421 of 421 residues in 3254.6 ms (Link to these results)

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