A0A0D9RWC3_CHLSB Loading...

DNA-directed RNA polymerase II subunit RPB4

Core component of RNA polymerase II (Pol II), a DNA-dependent RNA polymerase which synthesizes mRNA precursors and many functional non-coding RNAs using the four ribonucleoside triphosphates as substrates. Pol II is the central component of the basal RNA polymerase II transcription machinery. It is composed of mobile elements that move relative to each other. POLR2D/RPB4 is part of a subcomplex with POLR2G/RPB7 that binds to a pocket formed by POLR2A/RPB1, POLR2B/RPB2 and POLR2F/RPABC2 at the base of the clamp element. The POLR2D/RPB4-POLR2G/RPB7 subcomplex seems to lock the clamp via POLR2G/RPB7 in the closed conformation thus preventing double-stranded DNA to enter the active site cleft. The POLR2D/RPB4-POLR2G/RPB7 subcomplex binds single-stranded DNA and RNA.

AlphaFold DB , UniProt , Accession A0A0D9RWC3, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene POLR2D, Length 142 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
1M38.7Very low45.2Very low248 Ų248109.9 Ų109.9100%1.22278%0.775SS**  099.50-71.3179-178.100106.8
2A38.2Very low46.7Very low105 Ų105110.4 Ų110.487%0.86876%0.762SS**PPolyproline II helixtrans-82.4117.317600000107.5G4A2-G4 PolarHBondContact O-N 3.43Å
3A44.3Very low48.4Very low100 Ų100110 Ų11083%0.82675%0.752SS**PPolyproline II helixtrans-58.2131173.700000108.9G5A3-G5 PolarHBondContact O-N 2.81Å
4G40.2Very low51.1Low76 Ų76114.9 Ų114.978%0.78476%0.758SS**PPolyproline II helixtrans-58.2121.1-179.600000110.8A2 G6A2-G4 PolarHBondContact O-N 3.43Å; G4-G6 VanDerWaalsContact C-N 3.28Å; G4-G6 PolarHBondContact O-N 3.09Å
5G42.7Very low53.8Low80 Ų80115.6 Ų115.683%0.82575%0.747SS**  trans-65.796.2155.400000107.3A3 D7A3-G5 PolarHBondContact O-N 2.81Å; G5-D7 PolarHBondContact O-N 2.61Å
6G42Very low56.3Low69 Ų69111.3 Ų111.371%0.71172%0.716SS**  trans-61.6126.4163.200000107.8G4 P8G4-G6 VanDerWaalsContact C-N 3.28Å; G4-G6 PolarHBondContact O-N 3.09Å; G6-P8 WeakPolarHBondContact O-CD 3.45Å
7D45.6Very low58.4Low75 Ų75107.2 Ų107.240%0.40169%0.694SS.*  trans-57.6122.9170.9-168-31.6000108G5 R9 A10G5-D7 PolarHBondContact O-N 2.61Å; D7-R9 PolarHBondContact O-N 3.39Å; D7-R9 WeakPolarHBondContact OD1-CB 3.42Å; D7-R9 IonicContact OD1-CZ 2.83Å; D7-R9 PolarHBondContact OD1-N 3.43Å; D7-R9 IonicContact OD1-NE 3.82Å; D7-R9 PolarHBondContact OD1-NE 3.24Å; D7-R9 IonicContact OD1-NH2 2.89Å; D7-R9 PolarHBondContact OD1-NH2 3.4Å; D7-R9 IonicContact OD2-CZ 2.61Å; D7-R9 IonicContact OD2-NE 3.65Å; D7-R9 IonicContact OD2-NH2 3.98Å; D7-R9 PolarHBondContact OD2-NH2 2.92Å; D7-A10 HydrophobicContact CB-CB 4.35Å; D7-A10 WeakPolarHBondContact O-CB 3.32Å; D7-A10 PolarHBondContact O-N 2.87Å; D7-A10 VanDerWaalsContact O-N 3.13Å
8P53.8Low60.4Low123 Ų123103.9 Ų103.980%0.79967%0.674SS**THydrogen-bonded Turntrans-62.5-10.5179.723.2-31.5000113.3G6G6-P8 WeakPolarHBondContact O-CD 3.45Å
9R55.4Low62.1Low178 Ų178105.3 Ų105.367%0.67267%0.67SS**THydrogen-bonded Turntrans-97.42.6-180-59.1166-67.9179.65.8113.7D7 G11D7-R9 PolarHBondContact O-N 3.39Å; D7-R9 WeakPolarHBondContact OD1-CB 3.42Å; D7-R9 IonicContact OD1-CZ 2.83Å; D7-R9 PolarHBondContact OD1-N 3.43Å; D7-R9 IonicContact OD1-NE 3.82Å; D7-R9 PolarHBondContact OD1-NE 3.24Å; D7-R9 IonicContact OD1-NH2 2.89Å; D7-R9 PolarHBondContact OD1-NH2 3.4Å; D7-R9 IonicContact OD2-CZ 2.61Å; D7-R9 IonicContact OD2-NE 3.65Å; D7-R9 IonicContact OD2-NH2 3.98Å; D7-R9 PolarHBondContact OD2-NH2 2.92Å; R9-G11 VanDerWaalsContact C-N 3.25Å; R9-G11 PolarHBondContact O-N 3.04Å
10A45.1Very low63.6Low88 Ų88102.3 Ų102.373%0.72765%0.649SS**THydrogen-bonded Turntrans-82.268.6-177.500000111.2D7D7-A10 HydrophobicContact CB-CB 4.35Å; D7-A10 WeakPolarHBondContact O-CB 3.32Å; D7-A10 PolarHBondContact O-N 2.87Å; D7-A10 VanDerWaalsContact O-N 3.13Å
11G51.7Low65Low67 Ų6799.9 Ų99.969%0.69163%0.63SS**THydrogen-bonded Turntrans153.29.4172.500000116.4R9 V13R9-G11 VanDerWaalsContact C-N 3.25Å; R9-G11 PolarHBondContact O-N 3.04Å; G11-V13 PolarHBondContact O-N 3.01Å
12D62.8Low67.6Low116 Ų11690.9 Ų90.962%0.6259%0.585SS**  trans-63.1111.8179.2-72.7-43.9000109.8E14D12-E14 PolarHBondContact O-N 3.13Å
13V68.8Low70.1Confident105 Ų10587 Ų8764%0.63655%0.55SS**  trans-57.4131.5164.7-178.80000106.4G11 E15 I21G11-V13 PolarHBondContact O-N 3.01Å; V13-E15 PolarHBondContact O-N 2.96Å; V13-I21 HydrophobicContact CG1-CG2 3.65Å
14E86.1Confident72.2Confident178 Ų17890.1 Ų90.183%0.83255%0.545SS*.  trans-57.7113.1176-171.6174.8176.100109.1D12 I21D12-E14 PolarHBondContact O-N 3.13Å; E14-I21 WeakPolarHBondContact O-CG2 3.49Å
15E91.6Very high74.6Confident126 Ų12693.4 Ų93.459%0.58954%0.54SS*.  trans-67.6132.1-177.1-57.9175.2-141.500110.4V13 P23V13-E15 PolarHBondContact O-N 2.96Å; E15-P23 VanDerWaalsContact CD-CD 3.49Å; E15-P23 HydrophobicContact CG-CG 3.74Å; E15-P23 VanDerWaalsContact OE1-CG 3.27Å; E15-P23 WeakPolarHBondContact OE1-CG 3.4Å; E15-P23 VanDerWaalsContact OE2-CD 3.24Å; E15-P23 WeakPolarHBondContact OE2-CD 3.41Å; E15-P23 WeakPolarHBondContact OE2-CG 3.45Å
16D93.7Very high76.9Confident47 Ų4795.5 Ų95.525%0.25153%0.527SS..BIsolated β-bridgetrans-147.2101.9179.6-174.7-5.9000110.5S18 Q19 L20 I21D16-S18 PolarHBondContact O-N 3.05Å; D16-S18 WeakPolarHBondContact OD1-CA 3.49Å; D16-S18 VanDerWaalsContact OD1-CB 3.24Å; D16-S18 WeakPolarHBondContact OD1-CB 3.45Å; D16-S18 PolarHBondContact OD1-N 3.26Å; D16-S18 PolarHBondContact OD1-OG 3.12Å; D16-S18 PolarHBondContact OD2-OG 2.86Å; D16-S18 VanDerWaalsContact OD2-OG 3.09Å; D16-Q19 HydrophobicContact CB-CB 4.35Å; D16-Q19 CarbonylContact O-C 3.51Å; D16-Q19 PolarHBondContact O-N 3.02Å; D16-Q19 VanDerWaalsContact O-N 3.07Å; D16-Q19 WeakPolarHBondContact OD2-CG 3.36Å; D16-Q19 PolarHBondContact OD2-NE2 3.32Å; D16-L20 PolarHBondContact O-N 2.95Å; D16-L20 VanDerWaalsContact O-N 3.12Å; D16-I21 CarbonylContact C-O 3.55Å; D16-I21 HydrophobicContact CB-CB 4.34Å; D16-I21 HydrophobicContact CB-CD1 4.38Å; D16-I21 PolarHBondContact N-O 3.22Å; D16-I21 PolarHBondContact O-N 3.38Å
17A93.3Very high79Confident41 Ų4198.9 Ų98.934%0.33952%0.524SS..G310 helixtrans-63.7-24.817800000113.1Q19 L20 F22 F95A17-Q19 PolarHBondContact O-N 3.07Å; A17-L20 PolarHBondContact O-N 3.32Å; A17-F22 HydrophobicContact CB-CE1 3.9Å; A17-F22 HydrophobicContact CB-CZ 4.07Å; A17-F95 HydrophobicContact CB-CE1 4.16Å; A17-F95 HydrophobicContact CB-CE2 4.37Å; A17-F95 HydrophobicContact CB-CZ 3.81Å
18S92.9Very high81Confident48 Ų48101.3 Ų101.334%0.33654%0.542SS..G310 helixtrans-69.4-21.8176.178.30000112.4D16 S117D16-S18 PolarHBondContact O-N 3.05Å; D16-S18 WeakPolarHBondContact OD1-CA 3.49Å; D16-S18 VanDerWaalsContact OD1-CB 3.24Å; D16-S18 WeakPolarHBondContact OD1-CB 3.45Å; D16-S18 PolarHBondContact OD1-N 3.26Å; D16-S18 PolarHBondContact OD1-OG 3.12Å; D16-S18 PolarHBondContact OD2-OG 2.86Å; D16-S18 VanDerWaalsContact OD2-OG 3.09Å; S18-S117 WeakPolarHBondContact O-CB 3.41Å; S18-S117 PolarHBondContact O-N 3.07Å
19Q92.7Very high82.8Confident130 Ų13097.1 Ų97.161%0.60752%0.518SS*.G310 helixtrans-110.78.1177.1-63.5-178.946.700112.9D16 A17 I21D16-Q19 HydrophobicContact CB-CB 4.35Å; D16-Q19 CarbonylContact O-C 3.51Å; D16-Q19 PolarHBondContact O-N 3.02Å; D16-Q19 VanDerWaalsContact O-N 3.07Å; D16-Q19 WeakPolarHBondContact OD2-CG 3.36Å; D16-Q19 PolarHBondContact OD2-NE2 3.32Å; A17-Q19 PolarHBondContact O-N 3.07Å; Q19-I21 HydrophobicContact CB-CD1 3.9Å; Q19-I21 HydrophobicContact CB-CG1 3.9Å; Q19-I21 PolarHBondContact O-N 2.84Å
20L92.8Very high84.6Confident45 Ų4595.6 Ų95.624%0.23652%0.518CS..THydrogen-bonded Turntrans58.329.4-174.3-51.9175.2000114.1D16 A17 F22 H93 F95 E96D16-L20 PolarHBondContact O-N 2.95Å; D16-L20 VanDerWaalsContact O-N 3.12Å; A17-L20 PolarHBondContact O-N 3.32Å; L20-F22 HydrophobicContact CB-CE2 4.11Å; L20-F22 HydrophobicContact CD2-CE2 4.02Å; L20-F22 HydrophobicContact CD2-CZ 4.49Å; L20-F22 WeakPolarHBondContact O-CD2 3.27Å; L20-F22 PolarHBondContact O-N 3.07Å; L20-H93 HydrophobicContact CD1-CB 3.83Å; L20-H93 HydrophobicContact CD2-CB 4.25Å; L20-F95 HydrophobicContact CD2-CB 4.34Å; L20-F95 HydrophobicContact CD2-CD1 3.83Å; L20-F95 HydrophobicContact CD2-CG 4.49Å; L20-E96 HydrophobicContact CD2-CG 4.05Å
21I93.6Very high87Confident52 Ų5293.1 Ų93.127%0.26749%0.494SS..BIsolated β-bridgetrans-88.8103175-56.9175000107.3V13 E14 D16 Q19V13-I21 HydrophobicContact CG1-CG2 3.65Å; E14-I21 WeakPolarHBondContact O-CG2 3.49Å; D16-I21 CarbonylContact C-O 3.55Å; D16-I21 HydrophobicContact CB-CB 4.34Å; D16-I21 HydrophobicContact CB-CD1 4.38Å; D16-I21 PolarHBondContact N-O 3.22Å; D16-I21 PolarHBondContact O-N 3.38Å; Q19-I21 HydrophobicContact CB-CD1 3.9Å; Q19-I21 HydrophobicContact CB-CG1 3.9Å; Q19-I21 PolarHBondContact O-N 2.84Å
22F91.9Very high89.1Confident60 Ų6094 Ų9426%0.26348%0.483SS..  trans-118154.8177.7-60.4-76.1000110.8A17 L20 F26 H93 F95A17-F22 HydrophobicContact CB-CE1 3.9Å; A17-F22 HydrophobicContact CB-CZ 4.07Å; L20-F22 HydrophobicContact CB-CE2 4.11Å; L20-F22 HydrophobicContact CD2-CE2 4.02Å; L20-F22 HydrophobicContact CD2-CZ 4.49Å; L20-F22 WeakPolarHBondContact O-CD2 3.27Å; L20-F22 PolarHBondContact O-N 3.07Å; F22-F26 HydrophobicContact CB-CB 4.18Å; F22-H93 AromaticContact CE2-CE1 3.82Å; F22-F95 HydrophobicContact CE1-CD2 4.1Å; F22-F95 HydrophobicContact CE1-CE2 4.37Å; F22-F95 HydrophobicContact CE1-CG 4.4Å; F22-F95 HydrophobicContact CE2-CB 4Å; F22-F95 HydrophobicContact CE2-CG 4.16Å; F22-F95 HydrophobicContact CZ-CB 3.81Å; F22-F95 AromaticContact CZ-CD1 3.88Å; F22-F95 HydrophobicContact CZ-CD1 3.88Å; F22-F95 AromaticContact CZ-CD2 3.64Å; F22-F95 HydrophobicContact CZ-CD2 3.64Å; F22-F95 HydrophobicContact CZ-CE1 4.35Å; F22-F95 HydrophobicContact CZ-CE2 4.14Å; F22-F95 AromaticContact CZ-CG 3.49Å; F22-F95 HydrophobicContact CZ-CG 3.49Å; F22-F95 VanDerWaalsContact CZ-CG 3.49Å; F22-F95 HydrophobicContact CZ-CZ 4.47Å
23P91.5Very high90.6Very high22 Ų2288.5 Ų88.514%0.14345%0.453CS..  trans-58157.2169.8-25.734.6000113E15 E25 F26E15-P23 VanDerWaalsContact CD-CD 3.49Å; E15-P23 HydrophobicContact CG-CG 3.74Å; E15-P23 VanDerWaalsContact OE1-CG 3.27Å; E15-P23 WeakPolarHBondContact OE1-CG 3.4Å; E15-P23 VanDerWaalsContact OE2-CD 3.24Å; E15-P23 WeakPolarHBondContact OE2-CD 3.41Å; E15-P23 WeakPolarHBondContact OE2-CG 3.45Å; P23-E25 WeakPolarHBondContact CB-OE2 3.24Å; P23-E25 PolarHBondContact O-N 3.06Å; P23-E25 VanDerWaalsContact O-N 3.16Å; P23-F26 HydrophobicContact CB-CD2 4.18Å; P23-F26 HydrophobicContact CG-CD2 4.15Å; P23-F26 HydrophobicContact CG-CE2 4.5Å; P23-F26 PolarHBondContact O-N 3.16Å
24K88.8Confident91.9Very high166 Ų16685 Ų8572%0.72243%0.431SS*.G310 helixtrans-60.2-29.1-179.2-68-177.1178.2174.50112.6F26 E27K24-F26 PolarHBondContact O-N 3Å; K24-E27 PolarHBondContact O-N 3.14Å
25E90.6Very high92.2Very high145 Ų14576.6 Ų76.668%0.67839%0.392SS*.G310 helixtrans-59.8-27.1175.8-63.183.1176.900112.4P23P23-E25 WeakPolarHBondContact CB-OE2 3.24Å; P23-E25 PolarHBondContact O-N 3.06Å; P23-E25 VanDerWaalsContact O-N 3.16Å
26F90.8Very high92.3Very high124 Ų12472 Ų7254%0.54437%0.37SS..G310 helixtrans-98.5-4.8-178.6-66.7-72.2000114.3F22 P23 K24 T28 A29F22-F26 HydrophobicContact CB-CB 4.18Å; P23-F26 HydrophobicContact CB-CD2 4.18Å; P23-F26 HydrophobicContact CG-CD2 4.15Å; P23-F26 HydrophobicContact CG-CE2 4.5Å; P23-F26 PolarHBondContact O-N 3.16Å; K24-F26 PolarHBondContact O-N 3Å; F26-T28 VanDerWaalsContact C-N 3.29Å; F26-T28 PolarHBondContact O-N 3.09Å; F26-A29 HydrophobicContact CB-CB 4.35Å; F26-A29 HydrophobicContact CD1-CB 3.96Å; F26-A29 WeakPolarHBondContact O-CB 3.35Å; F26-A29 PolarHBondContact O-N 3.35Å; F26-A29 VanDerWaalsContact O-N 3.13Å
27E85.1Confident92.5Very high141 Ų14171.3 Ų71.366%0.65937%0.368SS*.THydrogen-bonded Turntrans-58.9-41178.2-75.2178.9-17300112.1K24K24-E27 PolarHBondContact O-N 3.14Å
28T87.5Confident92.6Very high125 Ų12571.4 Ų71.477%0.76736%0.361SS*.THydrogen-bonded Turntrans-93.9-3.7178.158.80000113.4F26F26-T28 VanDerWaalsContact C-N 3.29Å; F26-T28 PolarHBondContact O-N 3.09Å
29A91.4Very high92.6Very high36 Ų3672.7 Ų72.730%0.29836%0.363SS..  trans-66.5151-17700000111.3F26 K94F26-A29 HydrophobicContact CB-CB 4.35Å; F26-A29 HydrophobicContact CD1-CB 3.96Å; F26-A29 WeakPolarHBondContact O-CB 3.35Å; F26-A29 PolarHBondContact O-N 3.35Å; F26-A29 VanDerWaalsContact O-N 3.13Å; A29-K94 VanDerWaalsContact O-CD 3.23Å; A29-K94 WeakPolarHBondContact O-CD 3.11Å; A29-K94 PolarHBondContact O-NZ 3.5Å
30E93.4Very high92.7Very high145 Ų14571.3 Ų71.368%0.67836%0.359SS*.  trans-105.7143.1167.3-73.8-161.5166.800110.4
31T95.4Very high92.8Very high36 Ų3670.5 Ų70.522%0.22136%0.355CS..  trans-87.6145.9176.2540000110.9R84 K94 A98T31-R84 PolarHBondContact O-NH1 2.93Å; T31-R84 PolarHBondContact O-NH2 2.6Å; T31-K94 HydrophobicContact CG2-CB 4.02Å; T31-K94 WeakPolarHBondContact CG2-O 3.49Å; T31-K94 PolarHBondContact OG1-O 3.05Å; T31-A98 HydrophobicContact CG2-CB 4.25Å
32L95.7Very high92.9Very high87 Ų8770.9 Ų70.946%0.45536%0.355SS..  trans-114.1142.2173.1-66.1174.3000110E36 V37 L40L32-E36 VanDerWaalsContact CA-OE2 3.32Å; L32-E36 WeakPolarHBondContact CA-OE2 3.49Å; L32-E36 HydrophobicContact CD2-CB 4.35Å; L32-V37 HydrophobicContact CB-CG2 3.64Å; L32-V37 HydrophobicContact CD1-CG2 4.1Å; L32-L40 HydrophobicContact CD1-CD1 4.22Å
33L95.3Very high92.9Very high0 Ų072.8 Ų72.80%037%0.365CS..  trans-76.8150.9171-53.7-173.9000109.8S35 E36 V37 I80 L97 A98 A101L33-S35 PolarHBondContact O-N 3.21Å; L33-S35 VanDerWaalsContact O-N 3.12Å; L33-E36 HydrophobicContact CB-CB 4.38Å; L33-E36 HydrophobicContact CB-CG 4.05Å; L33-E36 HydrophobicContact CG-CG 4.39Å; L33-E36 PolarHBondContact N-OE2 2.88Å; L33-E36 WeakPolarHBondContact O-CB 3.32Å; L33-E36 PolarHBondContact O-N 3.37Å; L33-V37 WeakPolarHBondContact O-CG2 3.24Å; L33-V37 PolarHBondContact O-N 2.92Å; L33-I80 HydrophobicContact CD1-CG2 4.36Å; L33-L97 HydrophobicContact CD2-CD2 4.38Å; L33-A98 HydrophobicContact CD2-CB 4.14Å; L33-A101 HydrophobicContact CD1-CB 4.02Å; L33-A101 HydrophobicContact CD2-CB 3.52Å; L33-A101 HydrophobicContact CG-CB 4.4Å
34N95.1Very high93Very high31 Ų3177.5 Ų77.517%0.16638%0.38CS..Hα-helixtrans-52.8-38.6175-73.2-27.8000111.4V37 H38 T68 N102N34-V37 PolarHBondContact O-N 2.95Å; N34-H38 WeakPolarHBondContact O-CB 3.39Å; N34-H38 PolarHBondContact O-N 3Å; N34-T68 WeakPolarHBondContact O-CB 3.29Å; N34-N102 PolarHBondContact N-OD1 3.32Å
35S93.7Very high93.2Very high1 Ų172.1 Ų72.11%0.00736%0.356CS..Hα-helixtrans-65.9-38.9176.2-60.30000113.5L33 M39 S72 R73 F74L33-S35 PolarHBondContact O-N 3.21Å; L33-S35 VanDerWaalsContact O-N 3.12Å; S35-M39 WeakPolarHBondContact O-CG 3.46Å; S35-M39 PolarHBondContact O-N 2.73Å; S35-M39 VanDerWaalsContact O-N 3.14Å; S35-S72 WeakPolarHBondContact CA-OG 3.38Å; S35-S72 WeakPolarHBondContact CB-OG 3.25Å; S35-S72 PolarHBondContact OG-OG 3.44Å; S35-R73 PolarHBondContact OG-N 3.33Å; S35-F74 WeakPolarHBondContact CB-O 3.33Å; S35-F74 PolarHBondContact OG-N 2.91Å; S35-F74 VanDerWaalsContact OG-N 3.07Å; S35-F74 PolarHBondContact OG-O 3.37Å
36E94.2Very high93.4Very high29 Ų2970 Ų7014%0.13635%0.346CS..Hα-helixtrans-67.7-44.8175-68.4170.5151.500110.8L32 L33 H38 M39 L40 I80 R84L32-E36 VanDerWaalsContact CA-OE2 3.32Å; L32-E36 WeakPolarHBondContact CA-OE2 3.49Å; L32-E36 HydrophobicContact CD2-CB 4.35Å; L33-E36 HydrophobicContact CB-CB 4.38Å; L33-E36 HydrophobicContact CB-CG 4.05Å; L33-E36 HydrophobicContact CG-CG 4.39Å; L33-E36 PolarHBondContact N-OE2 2.88Å; L33-E36 WeakPolarHBondContact O-CB 3.32Å; L33-E36 PolarHBondContact O-N 3.37Å; E36-H38 VanDerWaalsContact C-N 3.33Å; E36-H38 PolarHBondContact O-N 3.09Å; E36-M39 PolarHBondContact O-N 3.24Å; E36-L40 WeakPolarHBondContact O-CG 3.5Å; E36-L40 PolarHBondContact O-N 3.02Å; E36-I80 HydrophobicContact CG-CG2 3.44Å; E36-I80 VanDerWaalsContact CG-CG2 3.44Å; E36-R84 VanDerWaalsContact CD-NH1 3.26Å; E36-R84 WeakPolarHBondContact OE1-CD 3.32Å; E36-R84 IonicContact OE1-CZ 3.67Å; E36-R84 IonicContact OE1-NE 3.63Å; E36-R84 IonicContact OE1-NH1 2.85Å; E36-R84 PolarHBondContact OE1-NH1 3.44Å; E36-R84 IonicContact OE2-CZ 3.12Å; E36-R84 IonicContact OE2-NH1 2.73Å; E36-R84 PolarHBondContact OE2-NH1 3.45Å
37V96.2Very high93.4Very high33 Ų3368.9 Ų68.920%0.234%0.343CS..Hα-helixtrans-59.8-46.2176.9-179.70000110.1L32 L33 N34 M39 L40 L41 T64 T68L32-V37 HydrophobicContact CB-CG2 3.64Å; L32-V37 HydrophobicContact CD1-CG2 4.1Å; L33-V37 WeakPolarHBondContact O-CG2 3.24Å; L33-V37 PolarHBondContact O-N 2.92Å; N34-V37 PolarHBondContact O-N 2.95Å; V37-M39 VanDerWaalsContact C-N 3.34Å; V37-M39 PolarHBondContact O-N 3.16Å; V37-L40 PolarHBondContact O-N 3.41Å; V37-L41 HydrophobicContact CG1-CD1 3.7Å; V37-L41 HydrophobicContact CG1-CG 4.07Å; V37-L41 WeakPolarHBondContact O-CB 3.02Å; V37-L41 VanDerWaalsContact O-CG 3.26Å; V37-L41 WeakPolarHBondContact O-CG 3.49Å; V37-L41 PolarHBondContact O-N 2.71Å; V37-T64 HydrophobicContact CG1-CG2 4.33Å; V37-T68 HydrophobicContact CB-CG2 4Å; V37-T68 HydrophobicContact CG1-CG2 3.78Å
38H95.5Very high93.7Very high43 Ų4362.8 Ų62.820%0.19932%0.315CS..Hα-helixtrans-56.6-47.6177.3-179.353.5000111.9N34 E36 L40 L41 E42 A69N34-H38 WeakPolarHBondContact O-CB 3.39Å; N34-H38 PolarHBondContact O-N 3Å; E36-H38 VanDerWaalsContact C-N 3.33Å; E36-H38 PolarHBondContact O-N 3.09Å; H38-L40 PolarHBondContact O-N 2.85Å; H38-L41 PolarHBondContact O-N 2.79Å; H38-E42 VanDerWaalsContact CE1-CG 3.48Å; H38-E42 WeakPolarHBondContact CE1-CG 3.4Å; H38-E42 IonicContact CE1-OE1 3.88Å; H38-E42 WeakPolarHBondContact O-CB 3.17Å; H38-E42 PolarHBondContact O-N 2.66Å; H38-A69 WeakPolarHBondContact CE1-CB 3.23Å
39M92.9Very high93.9Very high75 Ų7561.5 Ų61.537%0.36930%0.3SS..Hα-helixtrans-61.2-42.9178.2-74.4-169.874.100112.9S35 E36 V37 H43 R77 I80S35-M39 WeakPolarHBondContact O-CG 3.46Å; S35-M39 PolarHBondContact O-N 2.73Å; S35-M39 VanDerWaalsContact O-N 3.14Å; E36-M39 PolarHBondContact O-N 3.24Å; V37-M39 VanDerWaalsContact C-N 3.34Å; V37-M39 PolarHBondContact O-N 3.16Å; M39-H43 WeakPolarHBondContact O-CB 3.48Å; M39-H43 PolarHBondContact O-N 3.11Å; M39-R77 HydrophobicContact CE-CB 3.78Å; M39-R77 HydrophobicContact CE-CG 3.91Å; M39-R77 HydrophobicContact SD-CB 4.09Å; M39-R77 HydrophobicContact SD-CG 4.25Å; M39-I80 HydrophobicContact CG-CD1 4.35Å; M39-I80 HydrophobicContact SD-CD1 3.54Å; M39-I80 VanDerWaalsContact SD-CD1 3.54Å
40L95.1Very high93.9Very high101 Ų10164.7 Ų64.753%0.52932%0.32SS..Hα-helixtrans-66.1-41.6179.1-70.5171.1000111.5L32 E36 V37 H38 R44L32-L40 HydrophobicContact CD1-CD1 4.22Å; E36-L40 WeakPolarHBondContact O-CG 3.5Å; E36-L40 PolarHBondContact O-N 3.02Å; V37-L40 PolarHBondContact O-N 3.41Å; H38-L40 PolarHBondContact O-N 2.85Å; L40-R44 WeakPolarHBondContact O-CB 3.45Å; L40-R44 PolarHBondContact O-N 3.44Å
41L95.9Very high93.7Very high29 Ų2960 Ų6015%0.15231%0.307CS..Hα-helixtrans-68.9-42.8177.6-65.2178.1000111.5V37 H38 H43 R44 K45 F61 T64 L65V37-L41 HydrophobicContact CG1-CD1 3.7Å; V37-L41 HydrophobicContact CG1-CG 4.07Å; V37-L41 WeakPolarHBondContact O-CB 3.02Å; V37-L41 VanDerWaalsContact O-CG 3.26Å; V37-L41 WeakPolarHBondContact O-CG 3.49Å; V37-L41 PolarHBondContact O-N 2.71Å; H38-L41 PolarHBondContact O-N 2.79Å; L41-H43 VanDerWaalsContact C-N 3.34Å; L41-H43 PolarHBondContact O-N 2.84Å; L41-R44 PolarHBondContact O-N 2.94Å; L41-K45 WeakPolarHBondContact O-CB 3.43Å; L41-K45 PolarHBondContact O-N 3.06Å; L41-F61 HydrophobicContact CB-CE2 4.29Å; L41-F61 HydrophobicContact CB-CZ 4.01Å; L41-F61 HydrophobicContact CD2-CD2 3.76Å; L41-F61 HydrophobicContact CD2-CE2 3.38Å; L41-F61 HydrophobicContact CD2-CZ 3.98Å; L41-F61 HydrophobicContact CG-CE2 4.39Å; L41-F61 VanDerWaalsContact O-CZ 3.31Å; L41-F61 WeakPolarHBondContact O-CZ 3.23Å; L41-T64 HydrophobicContact CD1-CG2 3.72Å; L41-L65 HydrophobicContact CB-CB 4.4Å; L41-L65 HydrophobicContact CB-CD1 3.69Å; L41-L65 HydrophobicContact CD1-CB 4.24Å
42E94.3Very high93.1Very high59 Ų5968 Ų6828%0.27634%0.341SS..Hα-helixtrans-57.4-47.6173.6-86-63.5133.900111.5H38 R44 K45 Q46 L65H38-E42 VanDerWaalsContact CE1-CG 3.48Å; H38-E42 WeakPolarHBondContact CE1-CG 3.4Å; H38-E42 IonicContact CE1-OE1 3.88Å; H38-E42 WeakPolarHBondContact O-CB 3.17Å; H38-E42 PolarHBondContact O-N 2.66Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.06Å; E42-K45 WeakPolarHBondContact O-CB 3.38Å; E42-K45 PolarHBondContact O-N 3.24Å; E42-Q46 WeakPolarHBondContact O-CG 3.34Å; E42-Q46 PolarHBondContact O-N 3.02Å; E42-L65 HydrophobicContact CG-CD1 3.93Å; E42-L65 WeakPolarHBondContact OE1-CD1 3.36Å
43H93.4Very high92.5Very high100 Ų10070.4 Ų70.446%0.46335%0.354SS..Hα-helixtrans-61.9-42176.9-179.3-103.2000112M39 L41 K45 Q46 Q47M39-H43 WeakPolarHBondContact O-CB 3.48Å; M39-H43 PolarHBondContact O-N 3.11Å; L41-H43 VanDerWaalsContact C-N 3.34Å; L41-H43 PolarHBondContact O-N 2.84Å; H43-K45 VanDerWaalsContact C-N 3.3Å; H43-K45 PolarHBondContact O-N 2.79Å; H43-Q46 PolarHBondContact O-N 3.39Å; H43-Q47 PolarHBondContact CE1-NE2 3.13Å; H43-Q47 WeakPolarHBondContact O-CG 3.35Å; H43-Q47 PolarHBondContact O-N 2.95Å
44R93.3Very high92Very high121 Ų12176.4 Ų76.446%0.45738%0.383SS..Hα-helixtrans-63.9-36177-179.560.9-178.999.5-2112.4L40 L41 E42 N48 F61L40-R44 WeakPolarHBondContact O-CB 3.45Å; L40-R44 PolarHBondContact O-N 3.44Å; L41-R44 PolarHBondContact O-N 2.94Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.06Å; R44-N48 PolarHBondContact O-N 3.33Å; R44-N48 VanDerWaalsContact O-N 3.15Å; R44-F61 HydrophobicContact CB-CE2 4.15Å; R44-F61 HydrophobicContact CB-CZ 4.2Å; R44-F61 HydrophobicContact CG-CE2 3.89Å; R44-F61 HydrophobicContact CG-CZ 4.24Å
45K93.4Very high91.6Very high54 Ų5481.6 Ų81.624%0.23541%0.406CS..Hα-helixtrans-66.3-48.2175.1178.7-178.8165.1-169.60111L41 E42 H43 Q47 N48 E49 L57 F61 L65L41-K45 WeakPolarHBondContact O-CB 3.43Å; L41-K45 PolarHBondContact O-N 3.06Å; E42-K45 WeakPolarHBondContact O-CB 3.38Å; E42-K45 PolarHBondContact O-N 3.24Å; H43-K45 VanDerWaalsContact C-N 3.3Å; H43-K45 PolarHBondContact O-N 2.79Å; K45-Q47 VanDerWaalsContact C-N 3.3Å; K45-Q47 PolarHBondContact O-N 3.25Å; K45-N48 WeakPolarHBondContact O-CA 3.36Å; K45-N48 VanDerWaalsContact O-CB 3.29Å; K45-N48 WeakPolarHBondContact O-CB 3.18Å; K45-N48 PolarHBondContact O-N 3.3Å; K45-E49 WeakPolarHBondContact CE-OE1 3.29Å; K45-E49 HydrophobicContact CG-CG 4.49Å; K45-E49 IonicContact NZ-OE1 3.87Å; K45-E49 WeakPolarHBondContact O-CG 3.43Å; K45-E49 PolarHBondContact O-N 2.89Å; K45-L57 HydrophobicContact CB-CD1 3.99Å; K45-L57 HydrophobicContact CG-CD1 3.88Å; K45-F61 HydrophobicContact CB-CE1 4.17Å; K45-F61 HydrophobicContact CB-CZ 4.22Å; K45-L65 HydrophobicContact CD-CD2 3.78Å
46Q93.1Very high91.3Very high100 Ų10091 Ų9147%0.46745%0.45SS..Hα-helixtrans-59-41176.3-70.5172.78.700112.5E42 H43 N48 E49 S50E42-Q46 WeakPolarHBondContact O-CG 3.34Å; E42-Q46 PolarHBondContact O-N 3.02Å; H43-Q46 PolarHBondContact O-N 3.39Å; Q46-N48 VanDerWaalsContact C-N 3.26Å; Q46-N48 PolarHBondContact O-N 3.36Å; Q46-E49 PolarHBondContact O-N 3.15Å; Q46-S50 WeakPolarHBondContact O-CB 3.25Å; Q46-S50 PolarHBondContact O-N 2.92Å; Q46-S50 PolarHBondContact O-OG 3.31Å
47Q92.5Very high91.2Very high101 Ų10191.1 Ų91.147%0.47245%0.451SS..Hα-helixtrans-62-35.1174-75.5-174.9-27.900112.8H43 K45 A51H43-Q47 PolarHBondContact CE1-NE2 3.13Å; H43-Q47 WeakPolarHBondContact O-CG 3.35Å; H43-Q47 PolarHBondContact O-N 2.95Å; K45-Q47 VanDerWaalsContact C-N 3.3Å; K45-Q47 PolarHBondContact O-N 3.25Å; Q47-A51 PolarHBondContact O-N 3.22Å
48N91.4Very high91.2Very high12 Ų1293.1 Ų93.16%0.06447%0.466CS..Hα-helixtrans-71.5-45.7178-170.683.9000111.6R44 K45 Q46 S50 A51 E54 Q55 L57R44-N48 PolarHBondContact O-N 3.33Å; R44-N48 VanDerWaalsContact O-N 3.15Å; K45-N48 WeakPolarHBondContact O-CA 3.36Å; K45-N48 VanDerWaalsContact O-CB 3.29Å; K45-N48 WeakPolarHBondContact O-CB 3.18Å; K45-N48 PolarHBondContact O-N 3.3Å; Q46-N48 VanDerWaalsContact C-N 3.26Å; Q46-N48 PolarHBondContact O-N 3.36Å; N48-S50 PolarHBondContact O-N 2.98Å; N48-A51 WeakPolarHBondContact O-CB 3.47Å; N48-A51 PolarHBondContact O-N 3.1Å; N48-E54 WeakPolarHBondContact ND2-CG 3.25Å; N48-Q55 PolarHBondContact ND2-O 3.25Å; N48-Q55 PolarHBondContact OD1-O 2.84Å; N48-L57 HydrophobicContact CB-CD1 4.49Å; N48-L57 HydrophobicContact CB-CD2 4.14Å
49E91.3Very high91.2Very high99 Ų9997.4 Ų97.446%0.46349%0.487SS..Hα-helixtrans-63.8-25.4177.2-68.3172166.600112.7K45 Q46K45-E49 WeakPolarHBondContact CE-OE1 3.29Å; K45-E49 HydrophobicContact CG-CG 4.49Å; K45-E49 IonicContact NZ-OE1 3.87Å; K45-E49 WeakPolarHBondContact O-CG 3.43Å; K45-E49 PolarHBondContact O-N 2.89Å; Q46-E49 PolarHBondContact O-N 3.15Å
50S89.8Confident91.4Very high103 Ų10398.9 Ų98.972%0.7250%0.5SS*.THydrogen-bonded Turntrans-92.5-3.4178.5-53.20000113.7Q46 N48Q46-S50 WeakPolarHBondContact O-CB 3.25Å; Q46-S50 PolarHBondContact O-N 2.92Å; Q46-S50 PolarHBondContact O-OG 3.31Å; N48-S50 PolarHBondContact O-N 2.98Å
51A91Very high91.5Very high47 Ų4795.5 Ų95.539%0.38848%0.481SS..SBendtrans-81145.5-179.300000110.9Q47 N48 D53Q47-A51 PolarHBondContact O-N 3.22Å; N48-A51 WeakPolarHBondContact O-CB 3.47Å; N48-A51 PolarHBondContact O-N 3.1Å; A51-D53 PolarHBondContact O-N 3.16Å
52E82.1Confident91.5Very high202 Ų20297.6 Ų97.694%0.94449%0.491SS*.THydrogen-bonded Turntrans-62.4-33.4176.8-65.6-175.3154.600112
53D83.4Confident91.6Very high138 Ų138100.9 Ų100.974%0.73850%0.504SS*.THydrogen-bonded Turntrans-108.269.8174.4-64.8-44.9000110.3A51 Q55A51-D53 PolarHBondContact O-N 3.16Å; D53-Q55 PolarHBondContact O-N 2.76Å
54E84.8Confident91.8Very high127 Ų12798.8 Ų98.859%0.59350%0.498SS*.  trans-57.6125.6175.8-174.2-179179.900110.6N48N48-E54 WeakPolarHBondContact ND2-CG 3.25Å
55Q86.1Confident91.9Very high139 Ų13993.3 Ų93.365%0.6548%0.478SS*.  trans-108.2143.9175.6-65.5-179.722.300110.5N48 D53 L57N48-Q55 PolarHBondContact ND2-O 3.25Å; N48-Q55 PolarHBondContact OD1-O 2.84Å; D53-Q55 PolarHBondContact O-N 2.76Å; Q55-L57 PolarHBondContact O-N 3.15Å
56E87.6Confident92.1Very high198 Ų19895.9 Ų95.993%0.92550%0.495SS*.PPolyproline II helixtrans-62.9124.2171.4-69.5-172.2171.500110.2
57L92.3Very high92.3Very high33 Ų3397.1 Ų97.117%0.17350%0.496CS..PPolyproline II helixtrans-71143.8175.3-59.7168.1000109.4K45 N48 Q55 F61 M62K45-L57 HydrophobicContact CB-CD1 3.99Å; K45-L57 HydrophobicContact CG-CD1 3.88Å; N48-L57 HydrophobicContact CB-CD1 4.49Å; N48-L57 HydrophobicContact CB-CD2 4.14Å; Q55-L57 PolarHBondContact O-N 3.15Å; L57-F61 HydrophobicContact CB-CB 4.33Å; L57-F61 HydrophobicContact CB-CD1 3.79Å; L57-F61 HydrophobicContact CB-CE1 4.37Å; L57-F61 HydrophobicContact CB-CG 4.12Å; L57-F61 HydrophobicContact CD1-CD1 3.77Å; L57-F61 HydrophobicContact CD1-CE1 3.45Å; L57-F61 VanDerWaalsContact CD1-CE1 3.45Å; L57-F61 HydrophobicContact CD1-CZ 3.99Å; L57-F61 HydrophobicContact CG-CD1 4.25Å; L57-F61 HydrophobicContact CG-CE1 4.34Å; L57-M62 HydrophobicContact CB-CE 4.05Å; L57-M62 HydrophobicContact CD1-CE 4.18Å
58S95.7Very high92.4Very high74 Ų7492.5 Ų92.552%0.51747%0.474SS..PPolyproline II helixtrans-61.7156.3-175.172.60000112.9V60 F61 M62S58-V60 PolarHBondContact O-N 3.44Å; S58-F61 WeakPolarHBondContact O-CA 3.47Å; S58-F61 VanDerWaalsContact O-CB 3.29Å; S58-F61 WeakPolarHBondContact O-CB 3.33Å; S58-F61 PolarHBondContact O-N 2.61Å; S58-F61 PolarHBondContact OG-N 2.85Å; S58-M62 PolarHBondContact O-N 2.92Å
59E96.4Very high92.5Very high134 Ų13494 Ų9463%0.62649%0.489SS*.Hα-helixtrans-57.6-38.2175.7-168.3-170.2161.700111.9F61 M62 K63E59-F61 VanDerWaalsContact C-N 3.31Å; E59-F61 PolarHBondContact O-N 3.46Å; E59-M62 PolarHBondContact O-N 2.84Å; E59-K63 HydrophobicContact CG-CD 4.15Å; E59-K63 WeakPolarHBondContact O-CB 3.43Å; E59-K63 WeakPolarHBondContact O-CG 3.37Å; E59-K63 PolarHBondContact O-N 3.27Å; E59-K63 WeakPolarHBondContact OE1-CE 3.33Å; E59-K63 IonicContact OE1-NZ 3.71Å; E59-K63 PolarHBondContact OE1-NZ 3.12Å
60V97.3Very high92.6Very high106 Ų10699.1 Ų99.164%0.64250%0.504SS*.Hα-helixtrans-61.4-41.9175.7178.30000110.7S58 T64S58-V60 PolarHBondContact O-N 3.44Å; V60-T64 WeakPolarHBondContact O-CB 3.48Å; V60-T64 PolarHBondContact O-N 3.14Å; V60-T64 PolarHBondContact O-OG1 3.33Å
61F96.3Very high92.8Very high29 Ų2997.8 Ų97.813%0.12749%0.485CS..Hα-helixtrans-60.7-52.5176.3-177.1-80.4000110.9L41 R44 K45 L57 S58 E59 K63 T64 L65L41-F61 HydrophobicContact CB-CE2 4.29Å; L41-F61 HydrophobicContact CB-CZ 4.01Å; L41-F61 HydrophobicContact CD2-CD2 3.76Å; L41-F61 HydrophobicContact CD2-CE2 3.38Å; L41-F61 HydrophobicContact CD2-CZ 3.98Å; L41-F61 HydrophobicContact CG-CE2 4.39Å; L41-F61 VanDerWaalsContact O-CZ 3.31Å; L41-F61 WeakPolarHBondContact O-CZ 3.23Å; R44-F61 HydrophobicContact CB-CE2 4.15Å; R44-F61 HydrophobicContact CB-CZ 4.2Å; R44-F61 HydrophobicContact CG-CE2 3.89Å; R44-F61 HydrophobicContact CG-CZ 4.24Å; K45-F61 HydrophobicContact CB-CE1 4.17Å; K45-F61 HydrophobicContact CB-CZ 4.22Å; L57-F61 HydrophobicContact CB-CB 4.33Å; L57-F61 HydrophobicContact CB-CD1 3.79Å; L57-F61 HydrophobicContact CB-CE1 4.37Å; L57-F61 HydrophobicContact CB-CG 4.12Å; L57-F61 HydrophobicContact CD1-CD1 3.77Å; L57-F61 HydrophobicContact CD1-CE1 3.45Å; L57-F61 VanDerWaalsContact CD1-CE1 3.45Å; L57-F61 HydrophobicContact CD1-CZ 3.99Å; L57-F61 HydrophobicContact CG-CD1 4.25Å; L57-F61 HydrophobicContact CG-CE1 4.34Å; S58-F61 WeakPolarHBondContact O-CA 3.47Å; S58-F61 VanDerWaalsContact O-CB 3.29Å; S58-F61 WeakPolarHBondContact O-CB 3.33Å; S58-F61 PolarHBondContact O-N 2.61Å; S58-F61 PolarHBondContact OG-N 2.85Å; E59-F61 VanDerWaalsContact C-N 3.31Å; E59-F61 PolarHBondContact O-N 3.46Å; F61-K63 VanDerWaalsContact C-N 3.35Å; F61-K63 PolarHBondContact O-N 3.28Å; F61-T64 PolarHBondContact O-N 2.94Å; F61-L65 HydrophobicContact CE1-CB 4.48Å; F61-L65 HydrophobicContact CE1-CD2 4.16Å; F61-L65 WeakPolarHBondContact O-CB 3.35Å; F61-L65 PolarHBondContact O-N 3.42Å
62M95.3Very high92.7Very high74 Ų7496.6 Ų96.637%0.36547%0.474SS..Hα-helixtrans-62.7-41.1-178.3-68.1-58.3-16400112.2L57 S58 E59 L65 N66L57-M62 HydrophobicContact CB-CE 4.05Å; L57-M62 HydrophobicContact CD1-CE 4.18Å; S58-M62 PolarHBondContact O-N 2.92Å; E59-M62 PolarHBondContact O-N 2.84Å; M62-L65 PolarHBondContact O-N 3.11Å; M62-N66 WeakPolarHBondContact O-CB 3.42Å; M62-N66 VanDerWaalsContact O-CG 3.23Å; M62-N66 PolarHBondContact O-N 3.44Å; M62-N66 PolarHBondContact O-ND2 3.41Å; M62-N66 VanDerWaalsContact O-ND2 3.12Å
63K97.7Very high93Very high128 Ų12891.8 Ų91.856%0.55745%0.447SS*.Hα-helixtrans-62.1-44.8175.1-78.1176.7167173.90111.9E59 F61 N66 Y67E59-K63 HydrophobicContact CG-CD 4.15Å; E59-K63 WeakPolarHBondContact O-CB 3.43Å; E59-K63 WeakPolarHBondContact O-CG 3.37Å; E59-K63 PolarHBondContact O-N 3.27Å; E59-K63 WeakPolarHBondContact OE1-CE 3.33Å; E59-K63 IonicContact OE1-NZ 3.71Å; E59-K63 PolarHBondContact OE1-NZ 3.12Å; F61-K63 VanDerWaalsContact C-N 3.35Å; F61-K63 PolarHBondContact O-N 3.28Å; K63-N66 PolarHBondContact O-N 3.35Å; K63-Y67 WeakPolarHBondContact O-CB 3.45Å; K63-Y67 PolarHBondContact O-N 3.14Å
64T97.4Very high93.2Very high56 Ų5685.3 Ų85.334%0.34441%0.412SS..Hα-helixtrans-67.1-41.9179.6-520000111V37 L41 V60 F61 N66 Y67 T68V37-T64 HydrophobicContact CG1-CG2 4.33Å; L41-T64 HydrophobicContact CD1-CG2 3.72Å; V60-T64 WeakPolarHBondContact O-CB 3.48Å; V60-T64 PolarHBondContact O-N 3.14Å; V60-T64 PolarHBondContact O-OG1 3.33Å; F61-T64 PolarHBondContact O-N 2.94Å; T64-N66 PolarHBondContact O-N 3.19Å; T64-Y67 PolarHBondContact O-N 2.88Å; T64-T68 HydrophobicContact CG2-CG2 4.22Å; T64-T68 WeakPolarHBondContact O-CB 3.08Å; T64-T68 VanDerWaalsContact O-CG2 3.29Å; T64-T68 WeakPolarHBondContact O-CG2 3.48Å; T64-T68 PolarHBondContact O-N 3.33Å; T64-T68 PolarHBondContact O-OG1 2.87Å
65L95.8Very high93.2Very high5 Ų587.1 Ų87.13%0.02642%0.418CS..Hα-helixtrans-59.8-48.1176.2177.463000111.1L41 E42 K45 F61 M62 T68 A69L41-L65 HydrophobicContact CB-CB 4.4Å; L41-L65 HydrophobicContact CB-CD1 3.69Å; L41-L65 HydrophobicContact CD1-CB 4.24Å; E42-L65 HydrophobicContact CG-CD1 3.93Å; E42-L65 WeakPolarHBondContact OE1-CD1 3.36Å; K45-L65 HydrophobicContact CD-CD2 3.78Å; F61-L65 HydrophobicContact CE1-CB 4.48Å; F61-L65 HydrophobicContact CE1-CD2 4.16Å; F61-L65 WeakPolarHBondContact O-CB 3.35Å; F61-L65 PolarHBondContact O-N 3.42Å; M62-L65 PolarHBondContact O-N 3.11Å; L65-T68 PolarHBondContact O-N 2.87Å; L65-T68 PolarHBondContact O-OG1 2.93Å; L65-T68 VanDerWaalsContact O-OG1 3.09Å; L65-A69 WeakPolarHBondContact O-CB 3.37Å; L65-A69 PolarHBondContact O-N 3.02Å
66N95.8Very high93.2Very high109 Ų10983.8 Ų83.858%0.58341%0.405SS*.Hα-helixtrans-65.8-40.3179.4-71.8-29.4000112.6M62 K63 T64 R70M62-N66 WeakPolarHBondContact O-CB 3.42Å; M62-N66 VanDerWaalsContact O-CG 3.23Å; M62-N66 PolarHBondContact O-N 3.44Å; M62-N66 PolarHBondContact O-ND2 3.41Å; M62-N66 VanDerWaalsContact O-ND2 3.12Å; K63-N66 PolarHBondContact O-N 3.35Å; T64-N66 PolarHBondContact O-N 3.19Å; N66-R70 WeakPolarHBondContact O-CB 3.32Å; N66-R70 PolarHBondContact O-N 3.04Å
67Y97.4Very high93.2Very high125 Ų12583.3 Ų83.349%0.4940%0.395SS..Hα-helixtrans-62.4-51.9175.9176.3-92.8000110.9K63 T64 A69 R70 F71K63-Y67 WeakPolarHBondContact O-CB 3.45Å; K63-Y67 PolarHBondContact O-N 3.14Å; T64-Y67 PolarHBondContact O-N 2.88Å; Y67-A69 VanDerWaalsContact C-N 3.33Å; Y67-A69 PolarHBondContact O-N 3.23Å; Y67-R70 PolarHBondContact O-N 3.38Å; Y67-R70 VanDerWaalsContact O-N 3.15Å; Y67-F71 HydrophobicContact CD1-CD2 4.32Å; Y67-F71 AromaticContact CD2-CD2 3.52Å; Y67-F71 HydrophobicContact CD2-CD2 3.52Å; Y67-F71 AromaticContact CD2-CE2 3.57Å; Y67-F71 HydrophobicContact CD2-CE2 3.57Å; Y67-F71 HydrophobicContact CE1-CD2 4.15Å; Y67-F71 AromaticContact CE2-CD2 3.3Å; Y67-F71 HydrophobicContact CE2-CD2 3.3Å; Y67-F71 AromaticContact CE2-CE2 3.32Å; Y67-F71 HydrophobicContact CE2-CE2 3.32Å; Y67-F71 HydrophobicContact CE2-CG 4.36Å; Y67-F71 HydrophobicContact CE2-CZ 4.38Å; Y67-F71 HydrophobicContact CG-CD2 4.03Å; Y67-F71 HydrophobicContact CG-CE2 4.48Å; Y67-F71 AromaticContact CZ-CD2 3.64Å; Y67-F71 WeakPolarHBondContact O-CD2 3.37Å; Y67-F71 PolarHBondContact O-N 3.06Å
68T96.1Very high93.2Very high4 Ų488.8 Ų88.83%0.02542%0.419CS..Hα-helixtrans-66.6-34.7-178.3550000111.7N34 V37 T64 L65 S72N34-T68 WeakPolarHBondContact O-CB 3.29Å; V37-T68 HydrophobicContact CB-CG2 4Å; V37-T68 HydrophobicContact CG1-CG2 3.78Å; T64-T68 HydrophobicContact CG2-CG2 4.22Å; T64-T68 WeakPolarHBondContact O-CB 3.08Å; T64-T68 VanDerWaalsContact O-CG2 3.29Å; T64-T68 WeakPolarHBondContact O-CG2 3.48Å; T64-T68 PolarHBondContact O-N 3.33Å; T64-T68 PolarHBondContact O-OG1 2.87Å; L65-T68 PolarHBondContact O-N 2.87Å; L65-T68 PolarHBondContact O-OG1 2.93Å; L65-T68 VanDerWaalsContact O-OG1 3.09Å; T68-S72 WeakPolarHBondContact O-CA 3.34Å; T68-S72 WeakPolarHBondContact O-CB 3.27Å; T68-S72 PolarHBondContact O-N 3.05Å
69A92.9Very high92.9Very high45 Ų4586.3 Ų86.337%0.37240%0.401SS..Hα-helixtrans-60.6-44.817100000112.2H38 L65 Y67H38-A69 WeakPolarHBondContact CE1-CB 3.23Å; L65-A69 WeakPolarHBondContact O-CB 3.37Å; L65-A69 PolarHBondContact O-N 3.02Å; Y67-A69 VanDerWaalsContact C-N 3.33Å; Y67-A69 PolarHBondContact O-N 3.23Å
70R93.5Very high92.7Very high205 Ų20580.2 Ų80.277%0.77437%0.373SS*.Hα-helixtrans-69-38.6-178.4-176.8176.1-179.1177.20.1113N66 Y67N66-R70 WeakPolarHBondContact O-CB 3.32Å; N66-R70 PolarHBondContact O-N 3.04Å; Y67-R70 PolarHBondContact O-N 3.38Å; Y67-R70 VanDerWaalsContact O-N 3.15Å
71F93.5Very high92.4Very high76 Ų7677.6 Ų77.633%0.33336%0.362SS..Hα-helixtrans-102.75.4-176.1-67.2-72.1000113.7Y67 R73Y67-F71 HydrophobicContact CD1-CD2 4.32Å; Y67-F71 AromaticContact CD2-CD2 3.52Å; Y67-F71 HydrophobicContact CD2-CD2 3.52Å; Y67-F71 AromaticContact CD2-CE2 3.57Å; Y67-F71 HydrophobicContact CD2-CE2 3.57Å; Y67-F71 HydrophobicContact CE1-CD2 4.15Å; Y67-F71 AromaticContact CE2-CD2 3.3Å; Y67-F71 HydrophobicContact CE2-CD2 3.3Å; Y67-F71 AromaticContact CE2-CE2 3.32Å; Y67-F71 HydrophobicContact CE2-CE2 3.32Å; Y67-F71 HydrophobicContact CE2-CG 4.36Å; Y67-F71 HydrophobicContact CE2-CZ 4.38Å; Y67-F71 HydrophobicContact CG-CD2 4.03Å; Y67-F71 HydrophobicContact CG-CE2 4.48Å; Y67-F71 AromaticContact CZ-CD2 3.64Å; Y67-F71 WeakPolarHBondContact O-CD2 3.37Å; Y67-F71 PolarHBondContact O-N 3.06Å; F71-R73 PolarHBondContact O-N 3.45Å; F71-R73 VanDerWaalsContact O-N 3.15Å
72S90.4Very high92.2Very high21 Ų2178.6 Ų78.615%0.14737%0.373CS..  trans-61.7117.6172.2-178.20000109.3S35 T68 F74S35-S72 WeakPolarHBondContact CA-OG 3.38Å; S35-S72 WeakPolarHBondContact CB-OG 3.25Å; S35-S72 PolarHBondContact OG-OG 3.44Å; T68-S72 WeakPolarHBondContact O-CA 3.34Å; T68-S72 WeakPolarHBondContact O-CB 3.27Å; T68-S72 PolarHBondContact O-N 3.05Å; S72-F74 PolarHBondContact OG-O 3.29Å
73R87.8Confident92.1Very high102 Ų10275.1 Ų75.139%0.38536%0.356SS..SBendtrans-85.2-22.1177.2-60.3-57-168.5174.84.8112.5S35 F71S35-R73 PolarHBondContact OG-N 3.33Å; F71-R73 PolarHBondContact O-N 3.45Å; F71-R73 VanDerWaalsContact O-N 3.15Å
74F88.1Confident91.9Very high1 Ų171.5 Ų71.50%0.00434%0.338CS..  trans-128.2122.5-177.5-41.8-67.9000109.6S35 S72 T79 I80 V83 A101 I134 R138S35-F74 WeakPolarHBondContact CB-O 3.33Å; S35-F74 PolarHBondContact OG-N 2.91Å; S35-F74 VanDerWaalsContact OG-N 3.07Å; S35-F74 PolarHBondContact OG-O 3.37Å; S72-F74 PolarHBondContact OG-O 3.29Å; F74-T79 HydrophobicContact CD1-CG2 4.43Å; F74-I80 HydrophobicContact CB-CD1 4.5Å; F74-I80 HydrophobicContact CB-CG1 3.61Å; F74-I80 HydrophobicContact CG-CG1 4.49Å; F74-V83 HydrophobicContact CD1-CG2 4.24Å; F74-V83 HydrophobicContact CE1-CG2 3.84Å; F74-V83 HydrophobicContact CE2-CG1 4.09Å; F74-V83 HydrophobicContact CE2-CG2 4.43Å; F74-V83 HydrophobicContact CZ-CB 4.44Å; F74-V83 HydrophobicContact CZ-CG1 3.96Å; F74-V83 HydrophobicContact CZ-CG2 3.95Å; F74-A101 HydrophobicContact CE2-CB 4.28Å; F74-A101 WeakPolarHBondContact CE2-O 3.2Å; F74-I134 HydrophobicContact CE1-CG2 4.45Å; F74-I134 HydrophobicContact CZ-CG2 4.06Å; F74-R138 HydrophobicContact CE1-CB 4.26Å
75K83.6Confident91.7Very high165 Ų16572 Ų7272%0.71734%0.344SS*.  trans-95.6-27.5179-62.4-178.7-179.3177.10112.6
76N86.3Confident91.6Very high69 Ų6972.8 Ų72.837%0.36935%0.348SS..  trans-91.1127.4-178.8-175.9-11.9000111.1E78 T79 I80N76-E78 VanDerWaalsContact C-N 3.26Å; N76-E78 PolarHBondContact O-N 3.49Å; N76-E78 WeakPolarHBondContact OD1-CB 3.36Å; N76-E78 PolarHBondContact OD1-N 3.26Å; N76-T79 PolarHBondContact O-N 3.36Å; N76-I80 WeakPolarHBondContact O-CG1 3.44Å; N76-I80 PolarHBondContact O-N 3.19Å
77R88.5Confident91.4Very high188 Ų18867.6 Ų67.671%0.70932%0.321SS*.Hα-helixtrans-52.7-41.8174.7-169.1-179175.5-178.8-1.9112.9M39 T79 I80 A81M39-R77 HydrophobicContact CE-CB 3.78Å; M39-R77 HydrophobicContact CE-CG 3.91Å; M39-R77 HydrophobicContact SD-CB 4.09Å; M39-R77 HydrophobicContact SD-CG 4.25Å; R77-T79 VanDerWaalsContact C-N 3.32Å; R77-I80 PolarHBondContact O-N 3.01Å; R77-A81 WeakPolarHBondContact O-CB 3.46Å; R77-A81 PolarHBondContact O-N 2.92Å
78E90.8Very high91.2Very high149 Ų14967.8 Ų67.870%0.69633%0.329SS*.Hα-helixtrans-65.2-39.9179.2-64.2174.8172.300110.8N76 A81 S82N76-E78 VanDerWaalsContact C-N 3.26Å; N76-E78 PolarHBondContact O-N 3.49Å; N76-E78 WeakPolarHBondContact OD1-CB 3.36Å; N76-E78 PolarHBondContact OD1-N 3.26Å; E78-A81 PolarHBondContact O-N 3.12Å; E78-S82 WeakPolarHBondContact O-CB 3.49Å; E78-S82 PolarHBondContact O-N 2.92Å
79T90.6Very high91Very high21 Ų2175.2 Ų75.213%0.12936%0.364CS..Hα-helixtrans-69.5-40.7177.5-45.30000111.8F74 N76 R77 A81 S82 V83 K137 Q141F74-T79 HydrophobicContact CD1-CG2 4.43Å; N76-T79 PolarHBondContact O-N 3.36Å; R77-T79 VanDerWaalsContact C-N 3.32Å; T79-A81 VanDerWaalsContact C-N 3.33Å; T79-A81 PolarHBondContact O-N 2.91Å; T79-S82 PolarHBondContact O-N 3.46Å; T79-V83 HydrophobicContact CG2-CG2 4.32Å; T79-V83 WeakPolarHBondContact O-CG2 3.37Å; T79-V83 PolarHBondContact O-N 2.69Å; T79-K137 HydrophobicContact CG2-CB 3.95Å; T79-K137 WeakPolarHBondContact CG2-O 3.34Å; T79-Q141 VanDerWaalsContact CB-NE2 3.34Å; T79-Q141 HydrophobicContact CG2-CG 4.24Å
80I91.4Very high90.9Very high7 Ų776.1 Ų76.14%0.03636%0.359CS..Hα-helixtrans-55.9-49.9173-66.2164.4000110L33 E36 M39 F74 N76 R77 S82 V83 R84L33-I80 HydrophobicContact CD1-CG2 4.36Å; E36-I80 HydrophobicContact CG-CG2 3.44Å; E36-I80 VanDerWaalsContact CG-CG2 3.44Å; M39-I80 HydrophobicContact CG-CD1 4.35Å; M39-I80 HydrophobicContact SD-CD1 3.54Å; M39-I80 VanDerWaalsContact SD-CD1 3.54Å; F74-I80 HydrophobicContact CB-CD1 4.5Å; F74-I80 HydrophobicContact CB-CG1 3.61Å; F74-I80 HydrophobicContact CG-CG1 4.49Å; N76-I80 WeakPolarHBondContact O-CG1 3.44Å; N76-I80 PolarHBondContact O-N 3.19Å; R77-I80 PolarHBondContact O-N 3.01Å; I80-S82 VanDerWaalsContact C-N 3.32Å; I80-S82 PolarHBondContact O-N 2.95Å; I80-V83 PolarHBondContact O-N 2.88Å; I80-R84 WeakPolarHBondContact O-CB 3.4Å; I80-R84 PolarHBondContact O-N 3.31Å
81A92.1Very high90.8Very high50 Ų5075 Ų7541%0.41336%0.36SS..Hα-helixtrans-62.3-38.4178.300000112.4R77 E78 T79 S85R77-A81 WeakPolarHBondContact O-CB 3.46Å; R77-A81 PolarHBondContact O-N 2.92Å; E78-A81 PolarHBondContact O-N 3.12Å; T79-A81 VanDerWaalsContact C-N 3.33Å; T79-A81 PolarHBondContact O-N 2.91Å; A81-S85 VanDerWaalsContact O-CB 3.3Å; A81-S85 WeakPolarHBondContact O-CB 3.29Å; A81-S85 PolarHBondContact O-N 2.99Å; A81-S85 PolarHBondContact O-OG 3.49Å
82S92.3Very high90.7Very high51 Ų5172.6 Ų72.636%0.35735%0.351SS..Hα-helixtrans-68.8-39.5177.5-172.70000113.2E78 T79 I80 L86 K137E78-S82 WeakPolarHBondContact O-CB 3.49Å; E78-S82 PolarHBondContact O-N 2.92Å; T79-S82 PolarHBondContact O-N 3.46Å; I80-S82 VanDerWaalsContact C-N 3.32Å; I80-S82 PolarHBondContact O-N 2.95Å; S82-L86 WeakPolarHBondContact O-CB 3.37Å; S82-L86 PolarHBondContact O-N 2.93Å; S82-K137 PolarHBondContact O-NZ 2.78Å; S82-K137 WeakPolarHBondContact OG-CE 3.48Å; S82-K137 PolarHBondContact OG-NZ 2.86Å
83V92.8Very high90.9Very high0 Ų075.2 Ų75.20%036%0.36CS..Hα-helixtrans-66.9-45.4174.1172.20000110F74 T79 I80 S85 L86 L87 A101 K137F74-V83 HydrophobicContact CD1-CG2 4.24Å; F74-V83 HydrophobicContact CE1-CG2 3.84Å; F74-V83 HydrophobicContact CE2-CG1 4.09Å; F74-V83 HydrophobicContact CE2-CG2 4.43Å; F74-V83 HydrophobicContact CZ-CB 4.44Å; F74-V83 HydrophobicContact CZ-CG1 3.96Å; F74-V83 HydrophobicContact CZ-CG2 3.95Å; T79-V83 HydrophobicContact CG2-CG2 4.32Å; T79-V83 WeakPolarHBondContact O-CG2 3.37Å; T79-V83 PolarHBondContact O-N 2.69Å; I80-V83 PolarHBondContact O-N 2.88Å; V83-S85 VanDerWaalsContact C-N 3.35Å; V83-S85 PolarHBondContact O-N 3.06Å; V83-L86 WeakPolarHBondContact O-CB 3.34Å; V83-L86 PolarHBondContact O-N 3.33Å; V83-L87 HydrophobicContact CG1-CD1 4.01Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 3.47Å; V83-A101 HydrophobicContact CG1-CB 4.2Å; V83-K137 HydrophobicContact CG2-CB 3.89Å; V83-K137 HydrophobicContact CG2-CD 3.71Å; V83-K137 HydrophobicContact CG2-CG 4.41Å
84R93.1Very high91.2Very high52 Ų5274.1 Ų74.120%0.19636%0.358CS..Hα-helixtrans-60.1-45.8176.9-166.9177.3-169.393.92.7111.2T31 E36 I80 L86 L87 L88T31-R84 PolarHBondContact O-NH1 2.93Å; T31-R84 PolarHBondContact O-NH2 2.6Å; E36-R84 VanDerWaalsContact CD-NH1 3.26Å; E36-R84 WeakPolarHBondContact OE1-CD 3.32Å; E36-R84 IonicContact OE1-CZ 3.67Å; E36-R84 IonicContact OE1-NE 3.63Å; E36-R84 IonicContact OE1-NH1 2.85Å; E36-R84 PolarHBondContact OE1-NH1 3.44Å; E36-R84 IonicContact OE2-CZ 3.12Å; E36-R84 IonicContact OE2-NH1 2.73Å; E36-R84 PolarHBondContact OE2-NH1 3.45Å; I80-R84 WeakPolarHBondContact O-CB 3.4Å; I80-R84 PolarHBondContact O-N 3.31Å; R84-L86 PolarHBondContact O-N 3.12Å; R84-L87 PolarHBondContact O-N 2.76Å; R84-L88 WeakPolarHBondContact O-CB 3.5Å; R84-L88 PolarHBondContact O-N 3.46Å
85S93.4Very high91.6Very high66 Ų6676.9 Ų76.946%0.46237%0.37SS..Hα-helixtrans-63.7-40.6179.3-58.80000112.3A81 V83 Q89A81-S85 VanDerWaalsContact O-CB 3.3Å; A81-S85 WeakPolarHBondContact O-CB 3.29Å; A81-S85 PolarHBondContact O-N 2.99Å; A81-S85 PolarHBondContact O-OG 3.49Å; V83-S85 VanDerWaalsContact C-N 3.35Å; V83-S85 PolarHBondContact O-N 3.06Å; S85-Q89 WeakPolarHBondContact O-CG 3.4Å; S85-Q89 PolarHBondContact O-N 3.39Å
86L93.1Very high92.1Very high22 Ų2269 Ų6912%0.11534%0.336CS..Hα-helixtrans-58.1-50.1174.9174.775.3000111.1S82 V83 R84 Q89 D133 I134S82-L86 WeakPolarHBondContact O-CB 3.37Å; S82-L86 PolarHBondContact O-N 2.93Å; V83-L86 WeakPolarHBondContact O-CB 3.34Å; V83-L86 PolarHBondContact O-N 3.33Å; R84-L86 PolarHBondContact O-N 3.12Å; L86-Q89 PolarHBondContact O-N 2.83Å; L86-D133 HydrophobicContact CD1-CB 4.46Å; L86-D133 HydrophobicContact CD2-CB 3.63Å; L86-I134 HydrophobicContact CD2-CG1 4.29Å
87L92.4Very high92.5Very high1 Ų166.1 Ų66.11%0.00532%0.321CS..Hα-helixtrans-74.3-31.5-176.3-66.8172.7000112.8V83 R84 Q89 K90 L92 L97 L100 A101 I130 I134V83-L87 HydrophobicContact CG1-CD1 4.01Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 3.47Å; R84-L87 PolarHBondContact O-N 2.76Å; L87-Q89 PolarHBondContact O-N 3.09Å; L87-K90 WeakPolarHBondContact O-CB 3.14Å; L87-K90 PolarHBondContact O-N 2.88Å; L87-L92 HydrophobicContact CB-CD1 4.4Å; L87-L92 HydrophobicContact CD2-CD1 3.89Å; L87-L97 HydrophobicContact CB-CD1 3.53Å; L87-L97 HydrophobicContact CB-CD2 4.5Å; L87-L97 HydrophobicContact CB-CG 3.55Å; L87-L97 HydrophobicContact CD1-CD2 4.43Å; L87-L97 HydrophobicContact CD1-CG 3.98Å; L87-L97 HydrophobicContact CG-CG 4.39Å; L87-L100 HydrophobicContact CD2-CD1 4.48Å; L87-A101 HydrophobicContact CD1-CB 3.88Å; L87-I130 HydrophobicContact CD2-CG2 3.71Å; L87-I134 HydrophobicContact CD1-CD1 4.42Å; L87-I134 HydrophobicContact CD2-CD1 4Å
88L91.9Very high92.8Very high128 Ų12857.5 Ų57.567%0.6729%0.29SS*.Hα-helixtrans-68.2-25.5178.1-165.571.2000112.4R84 K90 L97R84-L88 WeakPolarHBondContact O-CB 3.5Å; R84-L88 PolarHBondContact O-N 3.46Å; L88-K90 PolarHBondContact O-N 2.9Å; L88-L97 HydrophobicContact CB-CD1 4.47Å; L88-L97 HydrophobicContact CD1-CD1 4.45Å
89Q91.7Very high93.1Very high161 Ų16151.6 Ų51.675%0.75227%0.265SS*.THydrogen-bonded Turntrans-74.2-12.8172.7-71.4174.7-6.900112.9S85 L86 L87S85-Q89 WeakPolarHBondContact O-CG 3.4Å; S85-Q89 PolarHBondContact O-N 3.39Å; L86-Q89 PolarHBondContact O-N 2.83Å; L87-Q89 PolarHBondContact O-N 3.09Å
90K91.9Very high93.3Very high63 Ų6350.6 Ų50.627%0.27426%0.259SS..SBendtrans-92152.4177.2-56.5-62.6-176.4160.10110L87 L88 L92 F122 E126 I130L87-K90 WeakPolarHBondContact O-CB 3.14Å; L87-K90 PolarHBondContact O-N 2.88Å; L88-K90 PolarHBondContact O-N 2.9Å; K90-L92 HydrophobicContact CB-CD1 3.94Å; K90-L92 HydrophobicContact CB-CG 4.09Å; K90-L92 PolarHBondContact O-N 3.21Å; K90-F122 HydrophobicContact CB-CZ 4.43Å; K90-E126 IonicContact NZ-OE1 3.9Å; K90-I130 HydrophobicContact CD-CD1 3.86Å; K90-I130 HydrophobicContact CD-CG1 4.27Å; K90-I130 HydrophobicContact CG-CD1 3.93Å; K90-I130 HydrophobicContact CG-CG1 4.38Å
91K90.6Very high93.4Very high182 Ų18250.3 Ų50.379%0.79126%0.257SS*.SBendtrans-77.453.7178.5-65.6-177.3179.4176.70111.5R121K91-R121 PolarHBondContact O-NH2 3.4Å
92L92.8Very high93.6Very high26 Ų2649.4 Ų49.414%0.13625%0.245CC..  trans-96.2149.7179-71.3165.1000110.9L87 K90 E96 L97 L100 L118 F122L87-L92 HydrophobicContact CB-CD1 4.4Å; L87-L92 HydrophobicContact CD2-CD1 3.89Å; K90-L92 HydrophobicContact CB-CD1 3.94Å; K90-L92 HydrophobicContact CB-CG 4.09Å; K90-L92 PolarHBondContact O-N 3.21Å; L92-E96 HydrophobicContact CD2-CB 4.03Å; L92-L97 HydrophobicContact CB-CB 4.44Å; L92-L100 HydrophobicContact CD1-CD1 3.78Å; L92-L100 HydrophobicContact CD2-CD1 3.93Å; L92-L118 HydrophobicContact CD2-CD2 3.45Å; L92-L118 VanDerWaalsContact CD2-CD2 3.45Å; L92-F122 HydrophobicContact CD2-CE2 3.49Å; L92-F122 VanDerWaalsContact CD2-CE2 3.49Å; L92-F122 HydrophobicContact CD2-CZ 3.98Å; L92-F122 HydrophobicContact CG-CE2 4.07Å; L92-F122 HydrophobicContact CG-CZ 4.03Å
93H94.3Very high93.7Very high75 Ų7550.8 Ų50.835%0.34725%0.248SC..  trans-70.6152.1163.8-170.1-105.4000110.2L20 F22 F95 E96 L97L20-H93 HydrophobicContact CD1-CB 3.83Å; L20-H93 HydrophobicContact CD2-CB 4.25Å; F22-H93 AromaticContact CE2-CE1 3.82Å; H93-F95 WeakPolarHBondContact ND1-CB 3.42Å; H93-F95 PolarHBondContact ND1-N 3.15Å; H93-F95 PolarHBondContact O-N 2.96Å; H93-F95 VanDerWaalsContact O-N 3.16Å; H93-E96 HydrophobicContact CB-CG 4.09Å; H93-E96 WeakPolarHBondContact CB-OE2 3.42Å; H93-E96 PolarHBondContact N-OE2 3.2Å; H93-E96 PolarHBondContact O-N 3.37Å; H93-E96 VanDerWaalsContact O-N 3.1Å; H93-L97 PolarHBondContact O-N 3.2Å
94K93.8Very high93.7Very high80 Ų8051 Ų5135%0.34825%0.25SS..Hα-helixtrans-57-34.9-179.4-60.6-175.2-171.71790112.4A29 T31 A98A29-K94 VanDerWaalsContact O-CD 3.23Å; A29-K94 WeakPolarHBondContact O-CD 3.11Å; A29-K94 PolarHBondContact O-NZ 3.5Å; T31-K94 HydrophobicContact CG2-CB 4.02Å; T31-K94 WeakPolarHBondContact CG2-O 3.49Å; T31-K94 PolarHBondContact OG1-O 3.05Å; K94-A98 PolarHBondContact O-N 3.43Å
95F95.4Very high93.8Very high58 Ų5848.7 Ų48.725%0.25424%0.242SC..Hα-helixtrans-63.5-53.1174.2178-104.3000112.2A17 L20 F22 H93 L97 A98 C99A17-F95 HydrophobicContact CB-CE1 4.16Å; A17-F95 HydrophobicContact CB-CE2 4.37Å; A17-F95 HydrophobicContact CB-CZ 3.81Å; L20-F95 HydrophobicContact CD2-CB 4.34Å; L20-F95 HydrophobicContact CD2-CD1 3.83Å; L20-F95 HydrophobicContact CD2-CG 4.49Å; F22-F95 HydrophobicContact CE1-CD2 4.1Å; F22-F95 HydrophobicContact CE1-CE2 4.37Å; F22-F95 HydrophobicContact CE1-CG 4.4Å; F22-F95 HydrophobicContact CE2-CB 4Å; F22-F95 HydrophobicContact CE2-CG 4.16Å; F22-F95 HydrophobicContact CZ-CB 3.81Å; F22-F95 AromaticContact CZ-CD1 3.88Å; F22-F95 HydrophobicContact CZ-CD1 3.88Å; F22-F95 AromaticContact CZ-CD2 3.64Å; F22-F95 HydrophobicContact CZ-CD2 3.64Å; F22-F95 HydrophobicContact CZ-CE1 4.35Å; F22-F95 HydrophobicContact CZ-CE2 4.14Å; F22-F95 AromaticContact CZ-CG 3.49Å; F22-F95 HydrophobicContact CZ-CG 3.49Å; F22-F95 VanDerWaalsContact CZ-CG 3.49Å; F22-F95 HydrophobicContact CZ-CZ 4.47Å; H93-F95 WeakPolarHBondContact ND1-CB 3.42Å; H93-F95 PolarHBondContact ND1-N 3.15Å; H93-F95 PolarHBondContact O-N 2.96Å; H93-F95 VanDerWaalsContact O-N 3.16Å; F95-L97 VanDerWaalsContact C-N 3.3Å; F95-L97 PolarHBondContact O-N 3.19Å; F95-A98 PolarHBondContact O-N 3.15Å; F95-A98 VanDerWaalsContact O-N 3.15Å; F95-C99 WeakPolarHBondContact CZ-SG 3.36Å; F95-C99 PolarHBondContact O-N 2.92Å
96E95.3Very high93.8Very high0 Ų051.5 Ų51.50%025%0.247CC..Hα-helixtrans-60.2-41.6-179.4-62.3169.115400111.6L20 L92 H93 A98 C99 L100 I115 S117 L118 R121L20-E96 HydrophobicContact CD2-CG 4.05Å; L92-E96 HydrophobicContact CD2-CB 4.03Å; H93-E96 HydrophobicContact CB-CG 4.09Å; H93-E96 WeakPolarHBondContact CB-OE2 3.42Å; H93-E96 PolarHBondContact N-OE2 3.2Å; H93-E96 PolarHBondContact O-N 3.37Å; H93-E96 VanDerWaalsContact O-N 3.1Å; E96-A98 VanDerWaalsContact C-N 3.34Å; E96-A98 PolarHBondContact O-N 3.43Å; E96-C99 PolarHBondContact O-N 3.5Å; E96-L100 WeakPolarHBondContact O-CB 3.3Å; E96-L100 WeakPolarHBondContact O-CG 3.36Å; E96-L100 PolarHBondContact O-N 2.79Å; E96-I115 HydrophobicContact CG-CG2 4.03Å; E96-S117 WeakPolarHBondContact CG-OG 3.35Å; E96-S117 WeakPolarHBondContact OE1-CB 3.5Å; E96-S117 PolarHBondContact OE1-OG 3.35Å; E96-L118 HydrophobicContact CB-CD2 4.07Å; E96-L118 HydrophobicContact CG-CD2 4.06Å; E96-R121 WeakPolarHBondContact OE1-CD 3.42Å; E96-R121 IonicContact OE1-CZ 3.65Å; E96-R121 IonicContact OE1-NE 2.6Å; E96-R121 IonicContact OE1-NH1 3.39Å; E96-R121 PolarHBondContact OE1-NH1 3.19Å; E96-R121 IonicContact OE2-CZ 2.92Å; E96-R121 IonicContact OE2-NE 2.87Å; E96-R121 IonicContact OE2-NH1 3.58Å; E96-R121 PolarHBondContact OE2-NH1 3.49Å; E96-R121 IonicContact OE2-NH2 3.69Å
97L94.9Very high93.9Very high9 Ų953.4 Ų53.45%0.04726%0.26CS..Hα-helixtrans-54.9-50.6175178.2153.7000111.2L33 L87 L88 L92 H93 F95 A101L33-L97 HydrophobicContact CD2-CD2 4.38Å; L87-L97 HydrophobicContact CB-CD1 3.53Å; L87-L97 HydrophobicContact CB-CD2 4.5Å; L87-L97 HydrophobicContact CB-CG 3.55Å; L87-L97 HydrophobicContact CD1-CD2 4.43Å; L87-L97 HydrophobicContact CD1-CG 3.98Å; L87-L97 HydrophobicContact CG-CG 4.39Å; L88-L97 HydrophobicContact CB-CD1 4.47Å; L88-L97 HydrophobicContact CD1-CD1 4.45Å; L92-L97 HydrophobicContact CB-CB 4.44Å; H93-L97 PolarHBondContact O-N 3.2Å; F95-L97 VanDerWaalsContact C-N 3.3Å; F95-L97 PolarHBondContact O-N 3.19Å; L97-A101 WeakPolarHBondContact O-CB 3.41Å; L97-A101 PolarHBondContact O-N 3.49Å; L97-A101 VanDerWaalsContact O-N 3.14Å
98A95.1Very high94Very high7 Ų753.7 Ų53.76%0.05826%0.263CS..Hα-helixtrans-67.5-39.4-179.800000111.8T31 L33 K94 F95 E96 A101 N102T31-A98 HydrophobicContact CG2-CB 4.25Å; L33-A98 HydrophobicContact CD2-CB 4.14Å; K94-A98 PolarHBondContact O-N 3.43Å; F95-A98 PolarHBondContact O-N 3.15Å; F95-A98 VanDerWaalsContact O-N 3.15Å; E96-A98 VanDerWaalsContact C-N 3.34Å; E96-A98 PolarHBondContact O-N 3.43Å; A98-A101 PolarHBondContact O-N 2.87Å; A98-N102 VanDerWaalsContact O-CB 3.23Å; A98-N102 WeakPolarHBondContact O-CB 3.5Å; A98-N102 PolarHBondContact O-N 3.35Å; A98-N102 PolarHBondContact O-ND2 2.83Å; A98-N102 VanDerWaalsContact O-ND2 3.15Å
99C95.6Very high94.2Very high25 Ų2555.4 Ų55.417%0.16927%0.267CS..Hα-helixtrans-63.2-46.5176.5-760000112.1F95 E96 A101 N102 L103 I115F95-C99 WeakPolarHBondContact CZ-SG 3.36Å; F95-C99 PolarHBondContact O-N 2.92Å; E96-C99 PolarHBondContact O-N 3.5Å; C99-A101 VanDerWaalsContact C-N 3.35Å; C99-A101 PolarHBondContact O-N 2.74Å; C99-N102 PolarHBondContact O-N 3.2Å; C99-L103 HydrophobicContact CB-CD1 4.36Å; C99-L103 VanDerWaalsContact O-CB 3.25Å; C99-L103 WeakPolarHBondContact O-CB 3.33Å; C99-L103 VanDerWaalsContact O-CG 3.29Å; C99-L103 WeakPolarHBondContact O-CG 3.29Å; C99-L103 PolarHBondContact O-N 2.89Å; C99-I115 HydrophobicContact CB-CD1 3.47Å; C99-I115 VanDerWaalsContact CB-CD1 3.47Å; C99-I115 HydrophobicContact CB-CG1 4.01Å
100L95.2Very high94.5Very high0 Ų051.6 Ų51.60%025%0.249CC..Hα-helixtrans-58-46.8176.6-76.1172.4000111.8L87 L92 E96 C104 P105 S111 I115 L118 L131L87-L100 HydrophobicContact CD2-CD1 4.48Å; L92-L100 HydrophobicContact CD1-CD1 3.78Å; L92-L100 HydrophobicContact CD2-CD1 3.93Å; E96-L100 WeakPolarHBondContact O-CB 3.3Å; E96-L100 WeakPolarHBondContact O-CG 3.36Å; E96-L100 PolarHBondContact O-N 2.79Å; L100-C104 WeakPolarHBondContact O-CA 3.5Å; L100-C104 PolarHBondContact O-N 3.05Å; L100-P105 HydrophobicContact CD2-CG 4.12Å; L100-S111 WeakPolarHBondContact CD2-OG 3.38Å; L100-I115 HydrophobicContact CD2-CD1 3.91Å; L100-I115 HydrophobicContact CG-CD1 3.89Å; L100-L118 HydrophobicContact CD1-CD1 4.28Å; L100-L118 HydrophobicContact CD2-CD1 3.95Å; L100-L118 HydrophobicContact CG-CD1 4.27Å; L100-L131 HydrophobicContact CD2-CD2 3.88Å
101A94.6Very high94.7Very high0 Ų048.6 Ų48.60%024%0.236CC..Hα-helixtrans-70.1-30.7-179.600000113.5L33 F74 V83 L87 L97 A98 C99 C104L33-A101 HydrophobicContact CD1-CB 4.02Å; L33-A101 HydrophobicContact CD2-CB 3.52Å; L33-A101 HydrophobicContact CG-CB 4.4Å; F74-A101 HydrophobicContact CE2-CB 4.28Å; F74-A101 WeakPolarHBondContact CE2-O 3.2Å; V83-A101 HydrophobicContact CG1-CB 4.2Å; L87-A101 HydrophobicContact CD1-CB 3.88Å; L97-A101 WeakPolarHBondContact O-CB 3.41Å; L97-A101 PolarHBondContact O-N 3.49Å; L97-A101 VanDerWaalsContact O-N 3.14Å; A98-A101 PolarHBondContact O-N 2.87Å; C99-A101 VanDerWaalsContact C-N 3.35Å; C99-A101 PolarHBondContact O-N 2.74Å; A101-C104 PolarHBondContact O-SG 2.92Å
102N94.8Very high94.8Very high31 Ų3141.3 Ų41.317%0.16620%0.204CC..Hα-helixtrans-83.8-42.2-180-73-27000112.6N34 A98 C99N34-N102 PolarHBondContact N-OD1 3.32Å; A98-N102 VanDerWaalsContact O-CB 3.23Å; A98-N102 WeakPolarHBondContact O-CB 3.5Å; A98-N102 PolarHBondContact O-N 3.35Å; A98-N102 PolarHBondContact O-ND2 2.83Å; A98-N102 VanDerWaalsContact O-ND2 3.15Å; C99-N102 PolarHBondContact O-N 3.2Å
103L94.5Very high95Very high80 Ų8043.8 Ų43.842%0.41923%0.229SC..Hα-helixtrans-78.9-38.8-178.1-61.8175.4000111.3C99 L114 I115C99-L103 HydrophobicContact CB-CD1 4.36Å; C99-L103 VanDerWaalsContact O-CB 3.25Å; C99-L103 WeakPolarHBondContact O-CB 3.33Å; C99-L103 VanDerWaalsContact O-CG 3.29Å; C99-L103 WeakPolarHBondContact O-CG 3.29Å; C99-L103 PolarHBondContact O-N 2.89Å; L103-L114 HydrophobicContact CD1-CB 4.25Å; L103-L114 HydrophobicContact CD1-CD1 4.27Å; L103-I115 HydrophobicContact CD1-CG1 4.48Å
104C92.9Very high95.1Very high6 Ų644.5 Ų44.54%0.04124%0.235CC..  trans50.161.4-174.1-590000113L100 A101 Q135L100-C104 WeakPolarHBondContact O-CA 3.5Å; L100-C104 PolarHBondContact O-N 3.05Å; A101-C104 PolarHBondContact O-SG 2.92Å; C104-Q135 PolarHBondContact O-NE2 3.21Å
105P94.9Very high95.2Very high3 Ų341 Ų412%0.01922%0.22CC..  trans-60.9154.6174.526.1-30.2000110.8L100 E110 L114 L131 Q135L100-P105 HydrophobicContact CD2-CG 4.12Å; P105-E110 WeakPolarHBondContact CA-OE2 3.26Å; P105-E110 HydrophobicContact CB-CB 4.25Å; P105-E110 HydrophobicContact CB-CG 3.94Å; P105-E110 WeakPolarHBondContact CB-OE2 3.46Å; P105-L114 HydrophobicContact CB-CD1 4.39Å; P105-L131 HydrophobicContact CG-CD1 4.36Å; P105-L131 HydrophobicContact CG-CD2 3.7Å; P105-Q135 PolarHBondContact O-NE2 3.41Å
106E93.6Very high95.1Very high124 Ų12441 Ų4158%0.57923%0.226SC*.SBendtrans-98-26.5-176-63.3-172.9176.200112.1E110 Q128E106-E110 PolarHBondContact N-OE2 3.27Å; E106-Q128 PolarHBondContact O-NE2 2.84Å
107T96.2Very high95.1Very high63 Ų6342 Ų4239%0.38723%0.232SC..SBendtrans-125.2152179.871.20000112.4E109 E110 S111 L131T107-E109 VanDerWaalsContact C-N 3.25Å; T107-E109 PolarHBondContact O-N 3.24Å; T107-E110 PolarHBondContact O-N 3.39Å; T107-E110 VanDerWaalsContact OG1-CB 3.32Å; T107-E110 WeakPolarHBondContact OG1-CB 3.39Å; T107-E110 PolarHBondContact OG1-N 2.91Å; T107-E110 VanDerWaalsContact OG1-N 3.09Å; T107-S111 WeakPolarHBondContact O-CB 3.34Å; T107-S111 PolarHBondContact O-N 3.45Å; T107-L131 WeakPolarHBondContact O-CD1 3.49Å
108A95.3Very high95Very high7 Ų741.5 Ų41.56%0.05823%0.23CC..Hα-helixtrans-56.6-39.9173.400000112.2S111 K112 D124 L127A108-S111 WeakPolarHBondContact O-CB 3.49Å; A108-S111 PolarHBondContact O-N 3.48Å; A108-K112 WeakPolarHBondContact O-CG 3.43Å; A108-K112 PolarHBondContact O-N 2.74Å; A108-D124 HydrophobicContact CB-CB 4.22Å; A108-L127 HydrophobicContact CB-CB 4.21Å; A108-L127 HydrophobicContact CB-CD2 4.05Å; A108-L127 HydrophobicContact CB-CG 4.16Å
109E95.4Very high94.8Very high163 Ų16346.7 Ų46.776%0.76225%0.253SS*.Hα-helixtrans-61-48.5175.5-175.1-177.7-176.100111.7T107 S111 K112 A113T107-E109 VanDerWaalsContact C-N 3.25Å; T107-E109 PolarHBondContact O-N 3.24Å; E109-S111 VanDerWaalsContact C-N 3.32Å; E109-S111 PolarHBondContact O-N 3.01Å; E109-K112 PolarHBondContact O-N 2.89Å; E109-A113 WeakPolarHBondContact O-CB 3.48Å; E109-A113 PolarHBondContact O-N 2.85Å
110E96.8Very high94.4Very high82 Ų8249.1 Ų49.138%0.38328%0.282SS..Hα-helixtrans-61.1-43.6176.2-178.1-172.2-16200111P105 E106 T107 K112 A113 L114P105-E110 WeakPolarHBondContact CA-OE2 3.26Å; P105-E110 HydrophobicContact CB-CB 4.25Å; P105-E110 HydrophobicContact CB-CG 3.94Å; P105-E110 WeakPolarHBondContact CB-OE2 3.46Å; E106-E110 PolarHBondContact N-OE2 3.27Å; T107-E110 PolarHBondContact O-N 3.39Å; T107-E110 VanDerWaalsContact OG1-CB 3.32Å; T107-E110 WeakPolarHBondContact OG1-CB 3.39Å; T107-E110 PolarHBondContact OG1-N 2.91Å; T107-E110 VanDerWaalsContact OG1-N 3.09Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 3.47Å; E110-A113 PolarHBondContact O-N 2.99Å; E110-L114 HydrophobicContact CG-CD1 3.83Å; E110-L114 HydrophobicContact CG-CG 4.25Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 WeakPolarHBondContact O-CG 3.43Å; E110-L114 PolarHBondContact O-N 3.14Å
111S95.9Very high94.1Very high0 Ų053.8 Ų53.80%030%0.299CS..Hα-helixtrans-59.4-41.9179.5-176.20000112.3L100 T107 A108 E109 I115 L118L100-S111 WeakPolarHBondContact CD2-OG 3.38Å; T107-S111 WeakPolarHBondContact O-CB 3.34Å; T107-S111 PolarHBondContact O-N 3.45Å; A108-S111 WeakPolarHBondContact O-CB 3.49Å; A108-S111 PolarHBondContact O-N 3.48Å; E109-S111 VanDerWaalsContact C-N 3.32Å; E109-S111 PolarHBondContact O-N 3.01Å; S111-I115 WeakPolarHBondContact O-CB 3.4Å; S111-I115 PolarHBondContact O-N 2.86Å; S111-L118 WeakPolarHBondContact OG-CD1 3.4Å
112K94.7Very high94Very high28 Ų2854.7 Ų54.712%0.12230%0.303CS..Hα-helixtrans-72-36.7176.9-72171169-164.70112.2A108 E109 E110 I115 P116 L118 E119 D124 L127A108-K112 WeakPolarHBondContact O-CG 3.43Å; A108-K112 PolarHBondContact O-N 2.74Å; E109-K112 PolarHBondContact O-N 2.89Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 3.47Å; K112-I115 CarbonylContact O-C 3.24Å; K112-I115 VanDerWaalsContact O-C 3.24Å; K112-I115 PolarHBondContact O-N 2.98Å; K112-P116 WeakPolarHBondContact O-CA 3.38Å; K112-L118 HydrophobicContact CG-CB 4.5Å; K112-E119 HydrophobicContact CB-CG 4.38Å; K112-E119 WeakPolarHBondContact CB-OE1 3.31Å; K112-E119 IonicContact NZ-OE2 3.59Å; K112-D124 VanDerWaalsContact CE-OD1 3.25Å; K112-D124 WeakPolarHBondContact CE-OD1 3.3Å; K112-D124 IonicContact NZ-OD1 3.58Å; K112-D124 PolarHBondContact NZ-OD1 2.9Å; K112-L127 HydrophobicContact CD-CD2 4.44Å; K112-L127 HydrophobicContact CG-CD2 3.98Å
113A95.7Very high94Very high78 Ų7860.4 Ų60.465%0.64533%0.329SS*.Hα-helixtrans-64.4-39.917500000112.3E109 E110E109-A113 WeakPolarHBondContact O-CB 3.48Å; E109-A113 PolarHBondContact O-N 2.85Å; E110-A113 PolarHBondContact O-N 2.99Å
114L95.8Very high94Very high90 Ų9060.8 Ų60.847%0.47133%0.332SS..Hα-helixtrans-78.8-32.1178.5-67176.8000113L103 P105 E110L103-L114 HydrophobicContact CD1-CB 4.25Å; L103-L114 HydrophobicContact CD1-CD1 4.27Å; P105-L114 HydrophobicContact CB-CD1 4.39Å; E110-L114 HydrophobicContact CG-CD1 3.83Å; E110-L114 HydrophobicContact CG-CG 4.25Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 WeakPolarHBondContact O-CG 3.43Å; E110-L114 PolarHBondContact O-N 3.14Å
115I95.8Very high94.1Very high6 Ų668.8 Ų68.83%0.03137%0.368CS..  trans-129.181.4-177.9-47.6168.9000108.3E96 C99 L100 L103 S111 K112 S117 L118E96-I115 HydrophobicContact CG-CG2 4.03Å; C99-I115 HydrophobicContact CB-CD1 3.47Å; C99-I115 VanDerWaalsContact CB-CD1 3.47Å; C99-I115 HydrophobicContact CB-CG1 4.01Å; L100-I115 HydrophobicContact CD2-CD1 3.91Å; L100-I115 HydrophobicContact CG-CD1 3.89Å; L103-I115 HydrophobicContact CD1-CG1 4.48Å; S111-I115 WeakPolarHBondContact O-CB 3.4Å; S111-I115 PolarHBondContact O-N 2.86Å; K112-I115 CarbonylContact O-C 3.24Å; K112-I115 VanDerWaalsContact O-C 3.24Å; K112-I115 PolarHBondContact O-N 2.98Å; I115-S117 PolarHBondContact O-N 2.75Å; I115-L118 HydrophobicContact CB-CD1 3.86Å; I115-L118 HydrophobicContact CB-CG 4.06Å; I115-L118 HydrophobicContact CD1-CD1 4Å; I115-L118 HydrophobicContact CG2-CD1 4.08Å; I115-L118 HydrophobicContact CG2-CG 3.84Å; I115-L118 WeakPolarHBondContact O-CB 3.39Å; I115-L118 PolarHBondContact O-N 3.34Å
116P94.9Very high94.1Very high60 Ų6072.6 Ų72.639%0.3939%0.386SS..G310 helixtrans-59.1-24.9-174.8-27.436.8000114.2K112 L118 E119K112-P116 WeakPolarHBondContact O-CA 3.38Å; P116-L118 PolarHBondContact O-N 3.4Å; P116-L118 VanDerWaalsContact O-N 3.16Å; P116-E119 VanDerWaalsContact O-CB 3.32Å; P116-E119 WeakPolarHBondContact O-CB 3.05Å; P116-E119 WeakPolarHBondContact O-CG 3.17Å; P116-E119 PolarHBondContact O-N 3.41Å
117S94.3Very high94.1Very high19 Ų1966.7 Ų66.713%0.13336%0.358CS..G310 helixtrans-65.5-14.9176.869.50000114.1S18 E96 I115 E119 R121S18-S117 WeakPolarHBondContact O-CB 3.41Å; S18-S117 PolarHBondContact O-N 3.07Å; E96-S117 WeakPolarHBondContact CG-OG 3.35Å; E96-S117 WeakPolarHBondContact OE1-CB 3.5Å; E96-S117 PolarHBondContact OE1-OG 3.35Å; I115-S117 PolarHBondContact O-N 2.75Å; S117-E119 VanDerWaalsContact C-N 3.26Å; S117-R121 WeakPolarHBondContact O-CD 3.2Å; S117-R121 WeakPolarHBondContact O-CG 3.34Å
118L92.6Very high94.1Very high0 Ų066.1 Ų66.10%035%0.352CS..G310 helixtrans-76.5-12.8173.6-66.9178000113L92 E96 L100 S111 K112 I115 P116 G120 R121 F122L92-L118 HydrophobicContact CD2-CD2 3.45Å; L92-L118 VanDerWaalsContact CD2-CD2 3.45Å; E96-L118 HydrophobicContact CB-CD2 4.07Å; E96-L118 HydrophobicContact CG-CD2 4.06Å; L100-L118 HydrophobicContact CD1-CD1 4.28Å; L100-L118 HydrophobicContact CD2-CD1 3.95Å; L100-L118 HydrophobicContact CG-CD1 4.27Å; S111-L118 WeakPolarHBondContact OG-CD1 3.4Å; K112-L118 HydrophobicContact CG-CB 4.5Å; I115-L118 HydrophobicContact CB-CD1 3.86Å; I115-L118 HydrophobicContact CB-CG 4.06Å; I115-L118 HydrophobicContact CD1-CD1 4Å; I115-L118 HydrophobicContact CG2-CD1 4.08Å; I115-L118 HydrophobicContact CG2-CG 3.84Å; I115-L118 WeakPolarHBondContact O-CB 3.39Å; I115-L118 PolarHBondContact O-N 3.34Å; P116-L118 PolarHBondContact O-N 3.4Å; P116-L118 VanDerWaalsContact O-N 3.16Å; L118-G120 PolarHBondContact O-N 2.96Å; L118-R121 WeakPolarHBondContact O-CB 3.4Å; L118-R121 PolarHBondContact O-N 3.45Å; L118-R121 VanDerWaalsContact O-N 3.09Å; L118-F122 HydrophobicContact CD2-CE2 4.36Å
119E91Very high94.2Very high116 Ų11670.8 Ų70.854%0.54237%0.372SS..THydrogen-bonded Turntrans-59.2129.9178.1-77.8-68.6-177.200111.6K112 P116 S117 R121K112-E119 HydrophobicContact CB-CG 4.38Å; K112-E119 WeakPolarHBondContact CB-OE1 3.31Å; K112-E119 IonicContact NZ-OE2 3.59Å; P116-E119 VanDerWaalsContact O-CB 3.32Å; P116-E119 WeakPolarHBondContact O-CB 3.05Å; P116-E119 WeakPolarHBondContact O-CG 3.17Å; P116-E119 PolarHBondContact O-N 3.41Å; S117-E119 VanDerWaalsContact C-N 3.26Å; E119-R121 PolarHBondContact O-N 2.85Å; E119-R121 VanDerWaalsContact O-N 3.14Å
120G87.6Confident94.1Very high75 Ų7563 Ų6377%0.77334%0.336SS*.THydrogen-bonded Turntrans67.32.9-176.900000116L118L118-G120 PolarHBondContact O-N 2.96Å
121R89.7Confident94Very high98 Ų9859.2 Ų59.237%0.3732%0.318SS..THydrogen-bonded Turntrans-82.7-35.4176.5-68.6-171.475.7144.83.7113.5K91 E96 S117 L118 E119K91-R121 PolarHBondContact O-NH2 3.4Å; E96-R121 WeakPolarHBondContact OE1-CD 3.42Å; E96-R121 IonicContact OE1-CZ 3.65Å; E96-R121 IonicContact OE1-NE 2.6Å; E96-R121 IonicContact OE1-NH1 3.39Å; E96-R121 PolarHBondContact OE1-NH1 3.19Å; E96-R121 IonicContact OE2-CZ 2.92Å; E96-R121 IonicContact OE2-NE 2.87Å; E96-R121 IonicContact OE2-NH1 3.58Å; E96-R121 PolarHBondContact OE2-NH1 3.49Å; E96-R121 IonicContact OE2-NH2 3.69Å; S117-R121 WeakPolarHBondContact O-CD 3.2Å; S117-R121 WeakPolarHBondContact O-CG 3.34Å; L118-R121 WeakPolarHBondContact O-CB 3.4Å; L118-R121 PolarHBondContact O-N 3.45Å; L118-R121 VanDerWaalsContact O-N 3.09Å; E119-R121 PolarHBondContact O-N 2.85Å; E119-R121 VanDerWaalsContact O-N 3.14Å
122F91.6Very high94Very high19 Ų1962.4 Ų62.48%0.08334%0.335CS..SBendtrans-136.1149.4-178.9-59.9-81.8000109.6K90 L92 L118 E126 L127 I130K90-F122 HydrophobicContact CB-CZ 4.43Å; L92-F122 HydrophobicContact CD2-CE2 3.49Å; L92-F122 VanDerWaalsContact CD2-CE2 3.49Å; L92-F122 HydrophobicContact CD2-CZ 3.98Å; L92-F122 HydrophobicContact CG-CE2 4.07Å; L92-F122 HydrophobicContact CG-CZ 4.03Å; L118-F122 HydrophobicContact CD2-CE2 4.36Å; F122-E126 HydrophobicContact CD1-CG 4.24Å; F122-L127 HydrophobicContact CB-CB 4.23Å; F122-I130 HydrophobicContact CE1-CD1 4.45Å
123E94.5Very high93.9Very high151 Ų15163.5 Ų63.571%0.70634%0.342SS*.  trans-67.2150164.6-63.8-60.3149.100109.8E125 E126 L127E123-E125 PolarHBondContact O-N 2.9Å; E123-E126 PolarHBondContact O-N 3.32Å; E123-L127 PolarHBondContact O-N 3.37Å
124D93.9Very high93.8Very high89 Ų8959.9 Ų59.948%0.47631%0.312SS..Hα-helixtrans-57.8-38.3-177-73-8.8000112.2A108 K112 L127 Q128A108-D124 HydrophobicContact CB-CB 4.22Å; K112-D124 VanDerWaalsContact CE-OD1 3.25Å; K112-D124 WeakPolarHBondContact CE-OD1 3.3Å; K112-D124 IonicContact NZ-OD1 3.58Å; K112-D124 PolarHBondContact NZ-OD1 2.9Å; D124-L127 PolarHBondContact O-N 3.08Å; D124-Q128 VanDerWaalsContact O-CB 3.25Å; D124-Q128 WeakPolarHBondContact O-CB 3.5Å; D124-Q128 PolarHBondContact O-N 3.21Å
125E95.3Very high93.5Very high173 Ų17357 Ų5781%0.80830%0.296SS*.Hα-helixtrans-64.5-41176.9-64.2-175.9170.600112.2E123 Q129E123-E125 PolarHBondContact O-N 2.9Å; E125-Q129 PolarHBondContact O-N 2.86Å
126E94.8Very high93.3Very high83 Ų8359.9 Ų59.939%0.38831%0.314SS..Hα-helixtrans-69.4-42.9177.7-175.4178.8-178.400110.8K90 F122 E123 Q129 I130K90-E126 IonicContact NZ-OE1 3.9Å; F122-E126 HydrophobicContact CD1-CG 4.24Å; E123-E126 PolarHBondContact O-N 3.32Å; E126-Q129 PolarHBondContact O-N 2.73Å; E126-I130 HydrophobicContact CG-CD1 4.36Å; E126-I130 WeakPolarHBondContact O-CG1 3.48Å; E126-I130 PolarHBondContact O-N 3.21Å; E126-I130 VanDerWaalsContact O-N 3.12Å
127L95Very high92.9Very high0 Ų059.1 Ų59.10%031%0.305CS..Hα-helixtrans-63-45.3177.5-176.656.3000110.6A108 K112 F122 E123 D124 Q129 I130 L131A108-L127 HydrophobicContact CB-CB 4.21Å; A108-L127 HydrophobicContact CB-CD2 4.05Å; A108-L127 HydrophobicContact CB-CG 4.16Å; K112-L127 HydrophobicContact CD-CD2 4.44Å; K112-L127 HydrophobicContact CG-CD2 3.98Å; F122-L127 HydrophobicContact CB-CB 4.23Å; E123-L127 PolarHBondContact O-N 3.37Å; D124-L127 PolarHBondContact O-N 3.08Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; L127-Q129 PolarHBondContact O-N 3.34Å; L127-I130 WeakPolarHBondContact O-CB 2.91Å; L127-I130 PolarHBondContact O-N 3.47Å; L127-I130 VanDerWaalsContact O-N 3.11Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 3.26Å
128Q96.3Very high92.4Very high52 Ų5260.7 Ų60.724%0.24331%0.308CS..Hα-helixtrans-58.6-43.9177-169.762.252.200111.5E106 D124 I130 L131 D132E106-Q128 PolarHBondContact O-NE2 2.84Å; D124-Q128 VanDerWaalsContact O-CB 3.25Å; D124-Q128 WeakPolarHBondContact O-CB 3.5Å; D124-Q128 PolarHBondContact O-N 3.21Å; Q128-I130 VanDerWaalsContact C-N 3.29Å; Q128-I130 PolarHBondContact O-N 2.95Å; Q128-L131 WeakPolarHBondContact O-CB 3.39Å; Q128-L131 PolarHBondContact O-N 3.35Å; Q128-L131 VanDerWaalsContact O-N 3.11Å; Q128-D132 PolarHBondContact NE2-OD1 3.39Å; Q128-D132 PolarHBondContact O-N 3Å
129Q95.8Very high91.6Very high104 Ų10464.1 Ų64.149%0.48633%0.332SS..Hα-helixtrans-59.8-39.9176.6-174.862.161.300112.3E125 E126 L127 L131 D132 D133E125-Q129 PolarHBondContact O-N 2.86Å; E126-Q129 PolarHBondContact O-N 2.73Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; L127-Q129 PolarHBondContact O-N 3.34Å; Q129-L131 VanDerWaalsContact C-N 3.34Å; Q129-D132 PolarHBondContact O-N 3.42Å; Q129-D133 PolarHBondContact NE2-OD1 2.87Å; Q129-D133 VanDerWaalsContact O-CG 3.22Å; Q129-D133 PolarHBondContact O-N 3.22Å
130I94.6Very high90.8Very high1 Ų166.9 Ų66.91%0.00534%0.342CS..Hα-helixtrans-62.8-43.8175.9-66.2165.6000110.5L87 K90 F122 E126 L127 Q128 D133 I134L87-I130 HydrophobicContact CD2-CG2 3.71Å; K90-I130 HydrophobicContact CD-CD1 3.86Å; K90-I130 HydrophobicContact CD-CG1 4.27Å; K90-I130 HydrophobicContact CG-CD1 3.93Å; K90-I130 HydrophobicContact CG-CG1 4.38Å; F122-I130 HydrophobicContact CE1-CD1 4.45Å; E126-I130 HydrophobicContact CG-CD1 4.36Å; E126-I130 WeakPolarHBondContact O-CG1 3.48Å; E126-I130 PolarHBondContact O-N 3.21Å; E126-I130 VanDerWaalsContact O-N 3.12Å; L127-I130 WeakPolarHBondContact O-CB 2.91Å; L127-I130 PolarHBondContact O-N 3.47Å; L127-I130 VanDerWaalsContact O-N 3.11Å; Q128-I130 VanDerWaalsContact C-N 3.29Å; Q128-I130 PolarHBondContact O-N 2.95Å; I130-D133 PolarHBondContact O-N 3.42Å; I130-I134 HydrophobicContact CG2-CD1 4.17Å; I130-I134 VanDerWaalsContact O-CG1 3.29Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 3.44Å; I130-I134 VanDerWaalsContact O-N 3.14Å
131L95.3Very high89.6Confident1 Ų165.2 Ų65.21%0.00532%0.315CS..Hα-helixtrans-62.9-46.7178-61.4179.4000111L100 P105 T107 L127 Q128 Q129 D133 I134 Q135L100-L131 HydrophobicContact CD2-CD2 3.88Å; P105-L131 HydrophobicContact CG-CD1 4.36Å; P105-L131 HydrophobicContact CG-CD2 3.7Å; T107-L131 WeakPolarHBondContact O-CD1 3.49Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 3.26Å; Q128-L131 WeakPolarHBondContact O-CB 3.39Å; Q128-L131 PolarHBondContact O-N 3.35Å; Q128-L131 VanDerWaalsContact O-N 3.11Å; Q129-L131 VanDerWaalsContact C-N 3.34Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.46Å; L131-I134 HydrophobicContact CD2-CD1 4.48Å; L131-I134 WeakPolarHBondContact O-CB 3.46Å; L131-I134 PolarHBondContact O-N 3.02Å; L131-Q135 VanDerWaalsContact O-CG 3.27Å; L131-Q135 WeakPolarHBondContact O-CG 3.37Å; L131-Q135 PolarHBondContact O-N 2.95Å
132D95.1Very high87.9Confident67 Ų6772.3 Ų72.336%0.35834%0.343SS..Hα-helixtrans-60.1-39179-65.7-13.9000111.7Q128 Q129 I134 Q135 T136Q128-D132 PolarHBondContact NE2-OD1 3.39Å; Q128-D132 PolarHBondContact O-N 3Å; Q129-D132 PolarHBondContact O-N 3.42Å; D132-I134 PolarHBondContact O-N 3.07Å; D132-Q135 PolarHBondContact O-N 3.31Å; D132-T136 VanDerWaalsContact O-CB 3.3Å; D132-T136 WeakPolarHBondContact O-CB 3.44Å; D132-T136 PolarHBondContact O-N 2.89Å; D132-T136 PolarHBondContact O-OG1 3.4Å
133D93.3Very high87.7Confident51 Ų5175 Ų7527%0.27336%0.356SS..Hα-helixtrans-64.7-38.2175-72.2-13000112.2L86 Q129 I130 L131 K137L86-D133 HydrophobicContact CD1-CB 4.46Å; L86-D133 HydrophobicContact CD2-CB 3.63Å; Q129-D133 PolarHBondContact NE2-OD1 2.87Å; Q129-D133 VanDerWaalsContact O-CG 3.22Å; Q129-D133 PolarHBondContact O-N 3.22Å; I130-D133 PolarHBondContact O-N 3.42Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.46Å; D133-K137 WeakPolarHBondContact O-CG 3.29Å; D133-K137 PolarHBondContact O-N 3.17Å
134I91.8Very high87.3Confident2 Ų270.9 Ų70.91%0.0134%0.337CS..Hα-helixtrans-66.9-46.2174.7-63.4164.3000110.1F74 L86 L87 I130 L131 D132 T136 K137 R138F74-I134 HydrophobicContact CE1-CG2 4.45Å; F74-I134 HydrophobicContact CZ-CG2 4.06Å; L86-I134 HydrophobicContact CD2-CG1 4.29Å; L87-I134 HydrophobicContact CD1-CD1 4.42Å; L87-I134 HydrophobicContact CD2-CD1 4Å; I130-I134 HydrophobicContact CG2-CD1 4.17Å; I130-I134 VanDerWaalsContact O-CG1 3.29Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 3.44Å; I130-I134 VanDerWaalsContact O-N 3.14Å; L131-I134 HydrophobicContact CD2-CD1 4.48Å; L131-I134 WeakPolarHBondContact O-CB 3.46Å; L131-I134 PolarHBondContact O-N 3.02Å; D132-I134 PolarHBondContact O-N 3.07Å; I134-T136 VanDerWaalsContact C-N 3.3Å; I134-T136 PolarHBondContact O-N 3.29Å; I134-K137 PolarHBondContact O-N 3.3Å; I134-R138 PolarHBondContact O-N 3.41Å
135Q90.3Very high86.9Confident29 Ų2969.9 Ų69.914%0.13633%0.33CS..Hα-helixtrans-61-40.8179-67.4-64.7-11.800111.7C104 P105 L131 D132 K137 R138 S139C104-Q135 PolarHBondContact O-NE2 3.21Å; P105-Q135 PolarHBondContact O-NE2 3.41Å; L131-Q135 VanDerWaalsContact O-CG 3.27Å; L131-Q135 WeakPolarHBondContact O-CG 3.37Å; L131-Q135 PolarHBondContact O-N 2.95Å; D132-Q135 PolarHBondContact O-N 3.31Å; Q135-K137 PolarHBondContact O-N 3.15Å; Q135-R138 WeakPolarHBondContact O-CB 3.41Å; Q135-R138 PolarHBondContact O-N 2.99Å; Q135-R138 VanDerWaalsContact OE1-NE 3.13Å; Q135-S139 WeakPolarHBondContact O-CB 3.46Å; Q135-S139 PolarHBondContact O-N 2.99Å; Q135-S139 PolarHBondContact O-OG 3.36Å
136T90.8Very high86.4Confident67 Ų6763.9 Ų63.941%0.41130%0.302SS..Hα-helixtrans-58.7-48.9174.6-65.20000110.8D132 I134 R138 S139 F140D132-T136 VanDerWaalsContact O-CB 3.3Å; D132-T136 WeakPolarHBondContact O-CB 3.44Å; D132-T136 PolarHBondContact O-N 2.89Å; D132-T136 PolarHBondContact O-OG1 3.4Å; I134-T136 VanDerWaalsContact C-N 3.3Å; I134-T136 PolarHBondContact O-N 3.29Å; T136-R138 VanDerWaalsContact C-N 3.3Å; T136-R138 PolarHBondContact O-N 3.37Å; T136-S139 PolarHBondContact O-N 3.1Å; T136-F140 HydrophobicContact CG2-CD2 3.94Å; T136-F140 HydrophobicContact CG2-CE2 3.35Å; T136-F140 HydrophobicContact CG2-CZ 4.28Å; T136-F140 WeakPolarHBondContact O-CD2 3.4Å; T136-F140 PolarHBondContact O-N 3.44Å
137K86.9Confident85.9Confident44 Ų4462.7 Ų62.719%0.19130%0.296CS..Hα-helixtrans-65.3-29.8176.6-75.7171.3-179.4158.10113.7T79 S82 V83 D133 I134 Q135 Q141T79-K137 HydrophobicContact CG2-CB 3.95Å; T79-K137 WeakPolarHBondContact CG2-O 3.34Å; S82-K137 PolarHBondContact O-NZ 2.78Å; S82-K137 WeakPolarHBondContact OG-CE 3.48Å; S82-K137 PolarHBondContact OG-NZ 2.86Å; V83-K137 HydrophobicContact CG2-CB 3.89Å; V83-K137 HydrophobicContact CG2-CD 3.71Å; V83-K137 HydrophobicContact CG2-CG 4.41Å; D133-K137 WeakPolarHBondContact O-CG 3.29Å; D133-K137 PolarHBondContact O-N 3.17Å; I134-K137 PolarHBondContact O-N 3.3Å; Q135-K137 PolarHBondContact O-N 3.15Å; K137-Q141 PolarHBondContact O-NE2 3.06Å
138R83.4Confident85.3Confident52 Ų5266.9 Ų66.920%0.19632%0.316CS..Hα-helixtrans-68.7-43173.1-168.9176.974.8177.77.9111.4F74 I134 Q135 T136 F140 Q141F74-R138 HydrophobicContact CE1-CB 4.26Å; I134-R138 PolarHBondContact O-N 3.41Å; Q135-R138 WeakPolarHBondContact O-CB 3.41Å; Q135-R138 PolarHBondContact O-N 2.99Å; Q135-R138 VanDerWaalsContact OE1-NE 3.13Å; T136-R138 VanDerWaalsContact C-N 3.3Å; T136-R138 PolarHBondContact O-N 3.37Å; R138-F140 PolarHBondContact O-N 3.35Å; R138-Q141 PolarHBondContact O-N 2.95Å
139S77.2Confident84.5Confident73 Ų7367.9 Ų67.951%0.5132%0.321SS..Hα-helixtrans-66-35.8-175.8-53.90000113Q135 T136 Q141 Y142Q135-S139 WeakPolarHBondContact O-CB 3.46Å; Q135-S139 PolarHBondContact O-N 2.99Å; Q135-S139 PolarHBondContact O-OG 3.36Å; T136-S139 PolarHBondContact O-N 3.1Å; S139-Q141 PolarHBondContact O-N 2.85Å; S139-Q141 VanDerWaalsContact O-N 3.08Å; S139-Y142 PolarHBondContact O-N 3.35Å
140F73Confident83.7Confident173 Ų17365.2 Ų65.276%0.75931%0.309SS*.THydrogen-bonded Turntrans-68.8-2.1179-74-59.7000115.3T136 R138T136-F140 HydrophobicContact CG2-CD2 3.94Å; T136-F140 HydrophobicContact CG2-CE2 3.35Å; T136-F140 HydrophobicContact CG2-CZ 4.28Å; T136-F140 WeakPolarHBondContact O-CD2 3.4Å; T136-F140 PolarHBondContact O-N 3.44Å; R138-F140 PolarHBondContact O-N 3.35Å
141Q63.6Low82.8Confident41 Ų4170.5 Ų70.519%0.19233%0.334CS..THydrogen-bonded Turntrans-101.60.7-179.9-66.5-175.168.100114.1T79 K137 R138 S139T79-Q141 VanDerWaalsContact CB-NE2 3.34Å; T79-Q141 HydrophobicContact CG2-CG 4.24Å; K137-Q141 PolarHBondContact O-NE2 3.06Å; R138-Q141 PolarHBondContact O-N 2.95Å; S139-Q141 PolarHBondContact O-N 2.85Å; S139-Q141 VanDerWaalsContact O-N 3.08Å
142Y52.5Low81.6Confident246 Ų24676.8 Ų76.897%0.96536%0.364SS*.  trans-101.80175.9-76.2-81.6000112.1S139S139-Y142 PolarHBondContact O-N 3.35Å

Retrieved 142 of 142 residues in 92.5 ms (Link to these results)

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