A0A3Q0KGP4_SCHMA Loading...

Pitrilysin

AlphaFold DB , UniProt , Accession A0A3Q0KGP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,120 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
1M37.3Very low57.1Low159 Ų159106.4 Ų106.478%0.78357%0.572SS**  0102.80-77.6175.517700105.8C3 K476M1-C3 PolarHBondContact O-N 2.6Å; M1-K476 HydrophobicContact CE-CG 3.81Å; M1-K476 HydrophobicContact SD-CB 4.37Å; M1-K476 HydrophobicContact SD-CG 3.71Å
2N30.6Very low59.9Low139 Ų13998.4 Ų98.474%0.74353%0.531SS*.  trans-76.4106.4174.9-72.816.2000107.7D4N2-D4 PolarHBondContact O-N 3.19Å
3C34.2Very low62.1Low58 Ų58104.5 Ų104.539%0.39254%0.542SS..  trans-9373.8169-63.80000108.2M1 G5M1-C3 PolarHBondContact O-N 2.6Å; C3-G5 PolarHBondContact O-N 3.36Å
4D35.2Very low64Low158 Ų15898.2 Ų98.285%0.84551%0.509SS*.  trans-85.498.1165.2-80.6-30.1000108.2N2N2-D4 PolarHBondContact O-N 3.19Å
5G40.6Very low65.7Low56 Ų5692.3 Ų92.358%0.57748%0.479SS*.SBendtrans134.2124.8176.200000112.1C3 A7C3-G5 PolarHBondContact O-N 3.36Å; G5-A7 VanDerWaalsContact C-N 3.26Å; G5-A7 PolarHBondContact O-N 3.32Å
6F50.1Low67Low205 Ų20590.9 Ų90.990%0.89947%0.466SS*.  trans-56.176.5179.5-75.2-98.3000112.8E8F6-E8 PolarHBondContact O-N 3.22Å
7A57.2Low68.4Low61 Ų6185.8 Ų85.850%0.50444%0.439SS..PPolyproline II helixtrans-68.7119.9159.900000107.1G5 L9 E478G5-A7 VanDerWaalsContact C-N 3.26Å; G5-A7 PolarHBondContact O-N 3.32Å; A7-L9 PolarHBondContact O-N 3.27Å; A7-E478 HydrophobicContact CB-CB 4.23Å
8E75.3Confident69.7Low177 Ų17784.3 Ų84.383%0.82744%0.437SS*.PPolyproline II helixtrans-60.2124.5176.1-168.9174.3-175.100108.7F6 E10F6-E8 PolarHBondContact O-N 3.22Å; E8-E10 PolarHBondContact O-N 3.41Å
9L87.5Confident70.9Confident22 Ų2281.8 Ų81.812%0.11542%0.422CS..PPolyproline II helixtrans-65.6129.5-178.6176.7152.3000109.9A7 K11 Y19 I31 V480 Y481A7-L9 PolarHBondContact O-N 3.27Å; L9-K11 HydrophobicContact CD2-CB 3.78Å; L9-K11 HydrophobicContact CD2-CG 4.35Å; L9-K11 PolarHBondContact O-N 2.9Å; L9-K11 VanDerWaalsContact O-N 3.16Å; L9-Y19 HydrophobicContact CD1-CD1 4.23Å; L9-Y19 HydrophobicContact CD1-CG 4.22Å; L9-Y19 HydrophobicContact CD2-CD2 4.4Å; L9-Y19 HydrophobicContact CD2-CG 4.46Å; L9-I31 HydrophobicContact CD1-CD1 3.64Å; L9-V480 HydrophobicContact CD1-CG2 3.38Å; L9-V480 HydrophobicContact CG-CG2 4.06Å; L9-Y481 HydrophobicContact CD1-CD2 4.45Å; L9-Y481 HydrophobicContact CD2-CD2 3.54Å; L9-Y481 HydrophobicContact CD2-CE2 4.07Å; L9-Y481 HydrophobicContact CG-CD2 4.44Å
10E90.1Very high72.1Confident69 Ų6980.3 Ų80.332%0.32241%0.411SS..  trans-72.9108.6178.1-66-179.8-162.300110E8 E478 H479 Y481 S482 K488E8-E10 PolarHBondContact O-N 3.41Å; E10-E478 PolarHBondContact N-O 3.23Å; E10-H479 IonicContact OE1-CD2 3.91Å; E10-H479 PolarHBondContact OE1-CD2 2.94Å; E10-H479 IonicContact OE1-NE2 2.61Å; E10-H479 PolarHBondContact OE1-NE2 3.21Å; E10-Y481 WeakPolarHBondContact O-CB 3.07Å; E10-S482 WeakPolarHBondContact OE2-CB 3.37Å; E10-S482 PolarHBondContact OE2-OG 2.86Å; E10-K488 IonicContact OE1-NZ 2.75Å; E10-K488 PolarHBondContact OE1-NZ 3.47Å; E10-K488 VanDerWaalsContact OE2-CE 3.24Å; E10-K488 WeakPolarHBondContact OE2-CE 3.48Å; E10-K488 IonicContact OE2-NZ 3.46Å; E10-K488 PolarHBondContact OE2-NZ 3.15Å
11K89.8Confident73.2Confident66 Ų6679 Ų7929%0.28740%0.401SS..  trans-128.7168.5179.959.3176.6-178.6155.20112.5L9 D15 R17 Y19L9-K11 HydrophobicContact CD2-CB 3.78Å; L9-K11 HydrophobicContact CD2-CG 4.35Å; L9-K11 PolarHBondContact O-N 2.9Å; L9-K11 VanDerWaalsContact O-N 3.16Å; K11-D15 HydrophobicContact CB-CB 4.48Å; K11-D15 HydrophobicContact CD-CB 4.18Å; K11-D15 PolarHBondContact NZ-O 2.94Å; K11-R17 PolarHBondContact NZ-O 3.26Å; K11-Y19 HydrophobicContact CD-CD2 4.02Å; K11-Y19 HydrophobicContact CD-CE2 3.7Å
12S91.1Very high75.9Confident11 Ų1171.8 Ų71.88%0.07737%0.366CS..  trans-57.4148.8172.5171.50000111.4I14 D15 F453 L454 T456S12-I14 PolarHBondContact O-N 3.42Å; S12-I14 VanDerWaalsContact OG-CG1 3.26Å; S12-I14 WeakPolarHBondContact OG-CG1 3.24Å; S12-I14 PolarHBondContact OG-N 2.95Å; S12-D15 WeakPolarHBondContact O-CB 3.41Å; S12-D15 PolarHBondContact O-N 2.72Å; S12-F453 WeakPolarHBondContact CB-O 3.19Å; S12-L454 PolarHBondContact OG-O 3.42Å; S12-T456 VanDerWaalsContact CB-O 3.31Å; S12-T456 WeakPolarHBondContact CB-O 3.37Å; S12-T456 PolarHBondContact OG-N 2.73Å; S12-T456 PolarHBondContact OG-O 3.12Å
13R88.8Confident79Confident178 Ų17869.3 Ų69.367%0.67235%0.35SS*.THydrogen-bonded Turntrans-67.7-25.8179.2-71.7-178.6172.7-179.3-0.1112.7L454R13-L454 WeakPolarHBondContact CB-O 3.36Å; R13-L454 HydrophobicContact CG-CB 4.42Å; R13-L454 HydrophobicContact CG-CD2 3.9Å; R13-L454 PolarHBondContact N-O 3.13Å
14I87.9Confident82Confident16 Ų1666.8 Ų66.88%0.08233%0.332CS..THydrogen-bonded Turntrans-89.9-6.9-179.363.6168.2000112.3S12 Y16 Y455 T456 E457 K612 C613S12-I14 PolarHBondContact O-N 3.42Å; S12-I14 VanDerWaalsContact OG-CG1 3.26Å; S12-I14 WeakPolarHBondContact OG-CG1 3.24Å; S12-I14 PolarHBondContact OG-N 2.95Å; I14-Y16 PolarHBondContact O-N 2.78Å; I14-Y16 VanDerWaalsContact O-N 3.16Å; I14-Y455 HydrophobicContact CG2-CD1 4.26Å; I14-T456 WeakPolarHBondContact CD1-O 3.42Å; I14-T456 WeakPolarHBondContact CG1-O 3.21Å; I14-E457 HydrophobicContact CD1-CB 4.3Å; I14-E457 HydrophobicContact CD1-CG 3.65Å; I14-K612 HydrophobicContact CG2-CB 4.17Å; I14-K612 WeakPolarHBondContact CG2-O 3.42Å; I14-C613 HydrophobicContact CD1-CB 4.18Å
15D89.1Confident84.8Confident10 Ų1066.5 Ų66.55%0.05333%0.331CS..  trans-78.3100.9178.7-166.5-16.8000111.5K11 S12 R17 Y19K11-D15 HydrophobicContact CB-CB 4.48Å; K11-D15 HydrophobicContact CD-CB 4.18Å; K11-D15 PolarHBondContact NZ-O 2.94Å; S12-D15 WeakPolarHBondContact O-CB 3.41Å; S12-D15 PolarHBondContact O-N 2.72Å; D15-R17 VanDerWaalsContact C-N 3.3Å; D15-R17 PolarHBondContact O-N 2.83Å; D15-R17 VanDerWaalsContact OD1-CB 3.23Å; D15-R17 WeakPolarHBondContact OD1-CB 3.2Å; D15-R17 WeakPolarHBondContact OD1-CG 3.41Å; D15-R17 IonicContact OD1-CZ 3.75Å; D15-R17 PolarHBondContact OD1-N 3.42Å; D15-R17 IonicContact OD1-NE 3.34Å; D15-R17 PolarHBondContact OD1-NE 2.91Å; D15-R17 IonicContact OD1-NH2 3.73Å; D15-R17 IonicContact OD2-CZ 2.61Å; D15-R17 IonicContact OD2-NE 2.72Å; D15-R17 PolarHBondContact OD2-NE 2.93Å; D15-R17 IonicContact OD2-NH2 3.02Å; D15-R17 PolarHBondContact OD2-NH2 2.92Å; D15-Y19 PolarHBondContact OD2-OH 3.25Å
16Y87.3Confident87.4Confident69 Ų6964.6 Ų64.627%0.27131%0.307SS..  trans-77.2-13.4179.665.5-92.6000113.7I14 N35 K37I14-Y16 PolarHBondContact O-N 2.78Å; I14-Y16 VanDerWaalsContact O-N 3.16Å; Y16-N35 PolarHBondContact OH-OD1 3.08Å; Y16-N35 VanDerWaalsContact OH-OD1 3.11Å; Y16-K37 HydrophobicContact CD2-CG 4.12Å; Y16-K37 HydrophobicContact CE2-CG 3.72Å
17R90.6Very high89.5Confident5 Ų555.2 Ų55.22%0.01927%0.269CS..  trans-65.4148.8-173.1-60.8173.2-66.5-175.70111.2K11 D15 Y19 V33 S34 N35 T464 Y481K11-R17 PolarHBondContact NZ-O 3.26Å; D15-R17 VanDerWaalsContact C-N 3.3Å; D15-R17 PolarHBondContact O-N 2.83Å; D15-R17 VanDerWaalsContact OD1-CB 3.23Å; D15-R17 WeakPolarHBondContact OD1-CB 3.2Å; D15-R17 WeakPolarHBondContact OD1-CG 3.41Å; D15-R17 IonicContact OD1-CZ 3.75Å; D15-R17 PolarHBondContact OD1-N 3.42Å; D15-R17 IonicContact OD1-NE 3.34Å; D15-R17 PolarHBondContact OD1-NE 2.91Å; D15-R17 IonicContact OD1-NH2 3.73Å; D15-R17 IonicContact OD2-CZ 2.61Å; D15-R17 IonicContact OD2-NE 2.72Å; D15-R17 PolarHBondContact OD2-NE 2.93Å; D15-R17 IonicContact OD2-NH2 3.02Å; D15-R17 PolarHBondContact OD2-NH2 2.92Å; R17-Y19 HydrophobicContact CB-CE2 3.87Å; R17-Y19 VanDerWaalsContact CZ-OH 3.23Å; R17-Y19 PolarHBondContact NE-OH 2.84Å; R17-Y19 VanDerWaalsContact NE-OH 3.08Å; R17-Y19 PolarHBondContact NH2-OH 2.87Å; R17-Y19 VanDerWaalsContact NH2-OH 3.12Å; R17-Y19 WeakPolarHBondContact O-CD2 3.39Å; R17-Y19 VanDerWaalsContact O-CE2 3.31Å; R17-Y19 WeakPolarHBondContact O-CE2 3.39Å; R17-V33 HydrophobicContact CB-CG1 4.06Å; R17-S34 WeakPolarHBondContact CA-O 3.41Å; R17-S34 WeakPolarHBondContact CB-O 3.19Å; R17-N35 WeakPolarHBondContact CD-OD1 3.42Å; R17-N35 WeakPolarHBondContact CG-OD1 3.44Å; R17-T464 PolarHBondContact NH1-OG1 3.25Å; R17-Y481 PolarHBondContact NH2-OH 3.28Å
18S91.7Very high91.4Very high58 Ų5852.3 Ų52.341%0.40625%0.245SC..EExtended strand (participates in β ladder)trans-100.8143.5177-61.90000110.4V33 S34S18-V33 WeakPolarHBondContact O-CA 3.39Å; S18-S34 PolarHBondContact N-O 3.13Å; S18-S34 PolarHBondContact O-N 2.88Å
19Y93.2Very high92.4Very high37 Ų3746.8 Ų46.815%0.14522%0.216CC..EExtended strand (participates in β ladder)trans-125.9144.7-173.2-63.8-91.8000111.5L9 K11 D15 R17 I31 L32 V33 L468 Y481L9-Y19 HydrophobicContact CD1-CD1 4.23Å; L9-Y19 HydrophobicContact CD1-CG 4.22Å; L9-Y19 HydrophobicContact CD2-CD2 4.4Å; L9-Y19 HydrophobicContact CD2-CG 4.46Å; K11-Y19 HydrophobicContact CD-CD2 4.02Å; K11-Y19 HydrophobicContact CD-CE2 3.7Å; D15-Y19 PolarHBondContact OD2-OH 3.25Å; R17-Y19 HydrophobicContact CB-CE2 3.87Å; R17-Y19 VanDerWaalsContact CZ-OH 3.23Å; R17-Y19 PolarHBondContact NE-OH 2.84Å; R17-Y19 VanDerWaalsContact NE-OH 3.08Å; R17-Y19 PolarHBondContact NH2-OH 2.87Å; R17-Y19 VanDerWaalsContact NH2-OH 3.12Å; R17-Y19 WeakPolarHBondContact O-CD2 3.39Å; R17-Y19 VanDerWaalsContact O-CE2 3.31Å; R17-Y19 WeakPolarHBondContact O-CE2 3.39Å; Y19-I31 HydrophobicContact CD1-CD1 4.2Å; Y19-L32 CarbonylContact C-O 3.38Å; Y19-L32 VanDerWaalsContact CA-O 3.3Å; Y19-L32 WeakPolarHBondContact CA-O 3.45Å; Y19-V33 HydrophobicContact CD1-CB 4.37Å; Y19-V33 HydrophobicContact CD1-CG1 4.18Å; Y19-V33 HydrophobicContact CD1-CG2 3.74Å; Y19-V33 HydrophobicContact CE1-CB 4.17Å; Y19-V33 HydrophobicContact CE1-CG1 3.63Å; Y19-V33 HydrophobicContact CE1-CG2 3.59Å; Y19-L468 HydrophobicContact CE1-CD1 4.31Å; Y19-Y481 HydrophobicContact CD1-CE2 4.31Å; Y19-Y481 AromaticContact CE1-CE2 3.48Å; Y19-Y481 HydrophobicContact CE1-CE2 3.48Å; Y19-Y481 VanDerWaalsContact CE1-CE2 3.48Å; Y19-Y481 AromaticContact CE1-CZ 3.95Å; Y19-Y481 WeakPolarHBondContact CE1-OH 3.42Å; Y19-Y481 AromaticContact CZ-CE2 3.61Å; Y19-Y481 AromaticContact CZ-CZ 3.98Å; Y19-Y481 PolarHBondContact OH-OH 2.72Å
20R94Very high92.9Very high51 Ų5145.8 Ų45.819%0.19221%0.211CC..EExtended strand (participates in β ladder)trans-141.7128.1169.2-173-179.3-62.4173.31.5110.5I22 I31 L32 L257 D258 E261R20-I22 HydrophobicContact CG-CG2 3.96Å; R20-I31 CarbonylContact O-C 3.59Å; R20-I31 WeakPolarHBondContact O-CA 3.26Å; R20-L32 HydrophobicContact CB-CB 4.37Å; R20-L32 PolarHBondContact N-O 2.62Å; R20-L32 PolarHBondContact O-N 3.01Å; R20-L257 HydrophobicContact CB-CD1 4.2Å; R20-L257 HydrophobicContact CB-CD2 4.18Å; R20-D258 IonicContact CZ-OD1 3.65Å; R20-D258 IonicContact NH1-OD1 3.6Å; R20-D258 PolarHBondContact NH1-OD1 2.98Å; R20-D258 IonicContact NH2-OD1 2.66Å; R20-D258 PolarHBondContact NH2-OD1 3.35Å; R20-E261 WeakPolarHBondContact CD-OE2 3.3Å; R20-E261 IonicContact CZ-OE2 3.59Å; R20-E261 IonicContact NE-OE2 2.95Å; R20-E261 IonicContact NH1-OE2 3.22Å; R20-E261 PolarHBondContact NH1-OE2 3.19Å
21Y94.9Very high93.2Very high53 Ų5342.5 Ų42.521%0.20820%0.196CC..EExtended strand (participates in β ladder)trans-90.3135.3167.6175.8-92.7000109.8R29 A30 L472 C477Y21-R29 HydrophobicContact CE2-CB 4.07Å; Y21-R29 VanDerWaalsContact OH-CD 3.29Å; Y21-R29 WeakPolarHBondContact OH-CD 3.17Å; Y21-R29 VanDerWaalsContact OH-CG 3.24Å; Y21-R29 WeakPolarHBondContact OH-CG 3.35Å; Y21-A30 WeakPolarHBondContact CA-O 3.16Å; Y21-L472 HydrophobicContact CD2-CD2 4.13Å; Y21-L472 HydrophobicContact CE2-CD2 4.06Å; Y21-C477 WeakPolarHBondContact CB-SG 3.31Å; Y21-C477 HydrophobicContact CD2-CB 4.24Å; Y21-C477 WeakPolarHBondContact CD2-SG 3.42Å; Y21-C477 HydrophobicContact CG-CB 4.49Å; Y21-C477 VanDerWaalsContact CG-SG 3.51Å
22I95.2Very high93.5Very high9 Ų939.4 Ų39.45%0.04618%0.182CC..EExtended strand (participates in β ladder)trans-134153.1174.465.8171.9000110.2R20 L24 A30 L32 E261 V264R20-I22 HydrophobicContact CG-CG2 3.96Å; I22-L24 HydrophobicContact CD1-CD1 3.83Å; I22-L24 HydrophobicContact CG1-CD1 4.1Å; I22-A30 HydrophobicContact CD1-CB 4.25Å; I22-A30 HydrophobicContact CG1-CB 3.76Å; I22-A30 PolarHBondContact N-O 3.23Å; I22-A30 PolarHBondContact O-N 3.48Å; I22-L32 HydrophobicContact CD1-CD1 4.14Å; I22-L32 HydrophobicContact CD1-CD2 4.31Å; I22-L32 HydrophobicContact CD1-CG 4.39Å; I22-L32 HydrophobicContact CG2-CD1 4.38Å; I22-E261 HydrophobicContact CD1-CG 4.1Å; I22-E261 HydrophobicContact CG2-CG 4.24Å; I22-V264 HydrophobicContact CD1-CG1 4.07Å
23E95.6Very high93.7Very high87 Ų8738.9 Ų38.941%0.40718%0.178SC..EExtended strand (participates in β ladder)trans-118.5131166.5-166.4169150.900107.9R29 R265E23-R29 HydrophobicContact CG-CG 4.38Å; E23-R265 PolarHBondContact O-NH1 3Å
24L96.2Very high94Very high5 Ų530.6 Ų30.63%0.02615%0.148CC..  trans-84.7158.1176.2-79.867.1000109.6I22 N26 G27 L28 A30 V264 R265 F268I22-L24 HydrophobicContact CD1-CD1 3.83Å; I22-L24 HydrophobicContact CG1-CD1 4.1Å; L24-N26 VanDerWaalsContact CB-OD1 3.28Å; L24-N26 WeakPolarHBondContact CB-OD1 3.45Å; L24-N26 PolarHBondContact O-N 3.2Å; L24-N26 VanDerWaalsContact O-N 3.12Å; L24-G27 WeakPolarHBondContact O-CA 3.31Å; L24-G27 PolarHBondContact O-N 3.18Å; L24-L28 HydrophobicContact CB-CB 4.39Å; L24-L28 HydrophobicContact CD1-CD2 4Å; L24-L28 HydrophobicContact CD2-CD2 4.34Å; L24-L28 PolarHBondContact N-O 3.01Å; L24-A30 HydrophobicContact CD1-CB 4.44Å; L24-V264 HydrophobicContact CD1-CG1 4.2Å; L24-R265 HydrophobicContact CG-CG 4.44Å; L24-F268 HydrophobicContact CD2-CB 3.78Å
25D94.2Very high94Very high152 Ų15230.8 Ų30.881%0.81315%0.149SC*.THydrogen-bonded Turntrans-60.4-26.9-178.5-65.8-21.8000112.9G27D25-G27 PolarHBondContact O-N 2.94Å
26N95.1Very high94Very high16 Ų1631 Ų319%0.08615%0.15CC..THydrogen-bonded Turntrans-76.5-7.117568.12.8000113.4L24 L28 S244 F268 S269 I271 K273L24-N26 VanDerWaalsContact CB-OD1 3.28Å; L24-N26 WeakPolarHBondContact CB-OD1 3.45Å; L24-N26 PolarHBondContact O-N 3.2Å; L24-N26 VanDerWaalsContact O-N 3.12Å; N26-L28 WeakPolarHBondContact OD1-CB 3.47Å; N26-L28 PolarHBondContact OD1-N 3.12Å; N26-L28 VanDerWaalsContact OD1-N 3.15Å; N26-S244 WeakPolarHBondContact CB-OG 3.33Å; N26-S244 PolarHBondContact O-OG 3.48Å; N26-F268 PolarHBondContact ND2-O 3.33Å; N26-S269 PolarHBondContact ND2-O 3.27Å; N26-S269 VanDerWaalsContact ND2-O 3.1Å; N26-I271 PolarHBondContact ND2-O 3.32Å; N26-K273 VanDerWaalsContact O-CD 3.24Å; N26-K273 WeakPolarHBondContact O-CD 3.44Å; N26-K273 WeakPolarHBondContact O-CE 3.5Å; N26-K273 WeakPolarHBondContact O-CG 3.17Å
27G94.8Very high93.8Very high8 Ų831.1 Ų31.18%0.08215%0.152CC..SBendtrans93.63178.300000114.6L24 D25 R29L24-G27 WeakPolarHBondContact O-CA 3.31Å; L24-G27 PolarHBondContact O-N 3.18Å; D25-G27 PolarHBondContact O-N 2.94Å; G27-R29 PolarHBondContact O-N 3.39Å
28L96.8Very high93.1Very high0 Ų036.1 Ų36.10%019%0.185CC..  trans-67.6127.7172.5-177.7151000109.6L24 N26 A30 L83 S244 M247 L249 F268 I271L24-L28 HydrophobicContact CB-CB 4.39Å; L24-L28 HydrophobicContact CD1-CD2 4Å; L24-L28 HydrophobicContact CD2-CD2 4.34Å; L24-L28 PolarHBondContact N-O 3.01Å; N26-L28 WeakPolarHBondContact OD1-CB 3.47Å; N26-L28 PolarHBondContact OD1-N 3.12Å; N26-L28 VanDerWaalsContact OD1-N 3.15Å; L28-A30 HydrophobicContact CD2-CB 3.94Å; L28-L83 HydrophobicContact CD1-CD1 4.34Å; L28-S244 WeakPolarHBondContact CA-O 3.38Å; L28-M247 HydrophobicContact CD1-CB 4.02Å; L28-M247 HydrophobicContact CD1-SD 4.42Å; L28-M247 HydrophobicContact CG-CB 4.22Å; L28-L249 HydrophobicContact CD2-CB 3.8Å; L28-L249 HydrophobicContact CD2-CD2 4.14Å; L28-F268 HydrophobicContact CD1-CB 4.33Å; L28-F268 HydrophobicContact CD1-CD1 4.25Å; L28-I271 HydrophobicContact CD1-CD1 3.96Å
29R97.2Very high92.5Very high61 Ų6137.5 Ų37.523%0.2321%0.209CC..EExtended strand (participates in β ladder)trans-96.6123178.7-62179.8-69.1145.93.5109.1Y21 E23 G27 M247 T248 L249 L472 H473Y21-R29 HydrophobicContact CE2-CB 4.07Å; Y21-R29 VanDerWaalsContact OH-CD 3.29Å; Y21-R29 WeakPolarHBondContact OH-CD 3.17Å; Y21-R29 VanDerWaalsContact OH-CG 3.24Å; Y21-R29 WeakPolarHBondContact OH-CG 3.35Å; E23-R29 HydrophobicContact CG-CG 4.38Å; G27-R29 PolarHBondContact O-N 3.39Å; R29-M247 PolarHBondContact N-O 2.85Å; R29-T248 HydrophobicContact CB-CG2 4.34Å; R29-T248 VanDerWaalsContact NH2-CG2 3.3Å; R29-T248 CarbonylContact O-C 3.33Å; R29-T248 WeakPolarHBondContact O-CA 3.41Å; R29-L249 PolarHBondContact O-N 3.37Å; R29-L472 PolarHBondContact NH1-O 3.4Å; R29-L472 PolarHBondContact NH2-O 2.88Å; R29-H473 PolarHBondContact NH2-CE1 2.86Å; R29-H473 PolarHBondContact NH2-ND1 2.92Å
30A97.3Very high91.9Very high0 Ų037.6 Ų37.60%021%0.211CC..EExtended strand (participates in β ladder)trans-125.4148-177.800000112.8Y21 I22 L24 L28 L249 V264Y21-A30 WeakPolarHBondContact CA-O 3.16Å; I22-A30 HydrophobicContact CD1-CB 4.25Å; I22-A30 HydrophobicContact CG1-CB 3.76Å; I22-A30 PolarHBondContact N-O 3.23Å; I22-A30 PolarHBondContact O-N 3.48Å; L24-A30 HydrophobicContact CD1-CB 4.44Å; L28-A30 HydrophobicContact CD2-CB 3.94Å; A30-L249 CarbonylContact C-O 3.42Å; A30-L249 WeakPolarHBondContact CA-O 3.44Å; A30-L249 HydrophobicContact CB-CB 3.93Å; A30-L249 HydrophobicContact CB-CD2 4.11Å; A30-L249 HydrophobicContact CB-CG 4.32Å; A30-V264 HydrophobicContact CB-CG1 4.33Å
31I96.4Very high91Very high1 Ų143 Ų431%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-118.4129166.7-168.8167.9000109.9L9 Y19 R20 L249 A250 V251 L468 L472 V480L9-I31 HydrophobicContact CD1-CD1 3.64Å; Y19-I31 HydrophobicContact CD1-CD1 4.2Å; R20-I31 CarbonylContact O-C 3.59Å; R20-I31 WeakPolarHBondContact O-CA 3.26Å; I31-L249 PolarHBondContact N-O 3.36Å; I31-A250 HydrophobicContact CG2-CB 3.68Å; I31-A250 WeakPolarHBondContact O-CA 3.44Å; I31-V251 PolarHBondContact O-N 3.03Å; I31-L468 HydrophobicContact CD1-CD1 4.37Å; I31-L468 HydrophobicContact CD1-CD2 4.28Å; I31-L468 HydrophobicContact CG2-CB 3.92Å; I31-L468 HydrophobicContact CG2-CD1 4.04Å; I31-L468 HydrophobicContact CG2-CG 4.48Å; I31-L472 HydrophobicContact CB-CD1 4.11Å; I31-L472 HydrophobicContact CG2-CD1 3.77Å; I31-V480 HydrophobicContact CD1-CG2 4.06Å
32L96.8Very high90Very high0 Ų041.5 Ų41.50%024%0.236CC..EExtended strand (participates in β ladder)trans-104.6134.1179.7-47.6178.8000108.7Y19 R20 I22 V251 L257 L260 E261 V264Y19-L32 CarbonylContact C-O 3.38Å; Y19-L32 VanDerWaalsContact CA-O 3.3Å; Y19-L32 WeakPolarHBondContact CA-O 3.45Å; R20-L32 HydrophobicContact CB-CB 4.37Å; R20-L32 PolarHBondContact N-O 2.62Å; R20-L32 PolarHBondContact O-N 3.01Å; I22-L32 HydrophobicContact CD1-CD1 4.14Å; I22-L32 HydrophobicContact CD1-CD2 4.31Å; I22-L32 HydrophobicContact CD1-CG 4.39Å; I22-L32 HydrophobicContact CG2-CD1 4.38Å; L32-V251 CarbonylContact C-O 3.32Å; L32-V251 HydrophobicContact CD2-CB 4.27Å; L32-L257 HydrophobicContact CB-CD2 3.92Å; L32-L260 HydrophobicContact CB-CB 4.41Å; L32-L260 HydrophobicContact CB-CD1 4.5Å; L32-L260 HydrophobicContact CD1-CB 4.11Å; L32-L260 HydrophobicContact CD2-CB 4.44Å; L32-E261 HydrophobicContact CD1-CB 3.63Å; L32-E261 HydrophobicContact CD1-CG 4.46Å; L32-V264 HydrophobicContact CD2-CB 4.26Å; L32-V264 HydrophobicContact CD2-CG2 3.72Å
33V95.2Very high88.8Confident0 Ų043 Ų430%025%0.246CC..EExtended strand (participates in β ladder)trans-123.6114.2-179.5-170.70000108.6R17 S18 Y19 V251 Q252 S253 L468R17-V33 HydrophobicContact CB-CG1 4.06Å; S18-V33 WeakPolarHBondContact O-CA 3.39Å; Y19-V33 HydrophobicContact CD1-CB 4.37Å; Y19-V33 HydrophobicContact CD1-CG1 4.18Å; Y19-V33 HydrophobicContact CD1-CG2 3.74Å; Y19-V33 HydrophobicContact CE1-CB 4.17Å; Y19-V33 HydrophobicContact CE1-CG1 3.63Å; Y19-V33 HydrophobicContact CE1-CG2 3.59Å; V33-V251 PolarHBondContact N-O 2.89Å; V33-Q252 HydrophobicContact CB-CB 3.92Å; V33-Q252 HydrophobicContact CB-CG 3.99Å; V33-Q252 HydrophobicContact CG1-CB 4.45Å; V33-Q252 HydrophobicContact CG1-CG 4.01Å; V33-Q252 VanDerWaalsContact O-CA 3.31Å; V33-Q252 WeakPolarHBondContact O-CA 3.23Å; V33-S253 PolarHBondContact O-N 3.21Å; V33-L468 HydrophobicContact CG2-CD1 3.67Å
34S93.9Very high86.9Confident4 Ų446.5 Ų46.53%0.02827%0.268CS..EExtended strand (participates in β ladder)trans-94.8124172.2-179.70000109.7R17 S18 L36 S253 H255R17-S34 WeakPolarHBondContact CA-O 3.41Å; R17-S34 WeakPolarHBondContact CB-O 3.19Å; S18-S34 PolarHBondContact N-O 3.13Å; S18-S34 PolarHBondContact O-N 2.88Å; S34-L36 VanDerWaalsContact C-N 3.32Å; S34-S253 WeakPolarHBondContact CA-O 3.4Å; S34-H255 WeakPolarHBondContact CB-O 3.42Å; S34-H255 PolarHBondContact OG-O 2.88Å
35N89.1Confident85Confident20 Ų2051.8 Ų51.811%0.10730%0.297CS..  trans-92.315.2177.7-156.644.6000113.4Y16 R17 K37 S253Y16-N35 PolarHBondContact OH-OD1 3.08Å; Y16-N35 VanDerWaalsContact OH-OD1 3.11Å; R17-N35 WeakPolarHBondContact CD-OD1 3.42Å; R17-N35 WeakPolarHBondContact CG-OD1 3.44Å; N35-K37 PolarHBondContact O-N 3.05Å; N35-S253 PolarHBondContact N-O 3.16Å
36L87.7Confident82.4Confident15 Ų1549.5 Ų49.58%0.07929%0.292CS..PPolyproline II helixtrans-68.7125.7175.2-68.8168.9000110S34 E40 A42 K254 H256S34-L36 VanDerWaalsContact C-N 3.32Å; L36-E40 HydrophobicContact CD2-CG 4.29Å; L36-A42 HydrophobicContact CD1-CB 4.34Å; L36-A42 HydrophobicContact CD2-CB 4.3Å; L36-K254 HydrophobicContact CD2-CG 3.61Å; L36-K254 HydrophobicContact CG-CG 4.36Å; L36-H256 WeakPolarHBondContact CD1-ND1 3.43Å
37K83.5Confident80.2Confident71 Ų7150.7 Ų50.731%0.30930%0.299SS..PPolyproline II helixtrans-67.4151.9173.5-68.2169.8-175.7164.20109.6Y16 N35 G39 E40 E944Y16-K37 HydrophobicContact CD2-CG 4.12Å; Y16-K37 HydrophobicContact CE2-CG 3.72Å; N35-K37 PolarHBondContact O-N 3.05Å; K37-G39 PolarHBondContact O-N 3.36Å; K37-E40 HydrophobicContact CB-CB 4.12Å; K37-E40 WeakPolarHBondContact CB-OE2 3.05Å; K37-E40 PolarHBondContact N-OE2 2.9Å; K37-E40 VanDerWaalsContact O-CB 3.23Å; K37-E40 WeakPolarHBondContact O-CB 3.35Å; K37-E40 PolarHBondContact O-N 3.31Å; K37-E944 WeakPolarHBondContact CE-OE2 3.34Å; K37-E944 IonicContact NZ-OE1 2.74Å; K37-E944 PolarHBondContact NZ-OE1 3.48Å; K37-E944 IonicContact NZ-OE2 3.66Å; K37-E944 PolarHBondContact NZ-OE2 2.81Å
38P77.2Confident77.5Confident110 Ų11054.5 Ų54.571%0.71432%0.322SS*.THydrogen-bonded Turntrans-55.5116.7176.6-26.234.7000111.9
39G77.5Confident74.4Confident88 Ų8861 Ų6191%0.90736%0.356SS*.THydrogen-bonded Turntrans91.1-0.6-178.400000115.4K37K37-G39 PolarHBondContact O-N 3.36Å
40E80.6Confident71.2Confident39 Ų3962.9 Ų62.918%0.18238%0.379CS..PPolyproline II helixtrans-83.2131.7173.5-170.2172.4-143.500110.3L36 K37 K254L36-E40 HydrophobicContact CD2-CG 4.29Å; K37-E40 HydrophobicContact CB-CB 4.12Å; K37-E40 WeakPolarHBondContact CB-OE2 3.05Å; K37-E40 PolarHBondContact N-OE2 2.9Å; K37-E40 VanDerWaalsContact O-CB 3.23Å; K37-E40 WeakPolarHBondContact O-CB 3.35Å; K37-E40 PolarHBondContact O-N 3.31Å; E40-K254 WeakPolarHBondContact OE1-CE 3.46Å; E40-K254 IonicContact OE1-NZ 2.83Å; E40-K254 PolarHBondContact OE1-NZ 3.24Å; E40-K254 WeakPolarHBondContact OE2-CE 3.43Å
41E76.7Confident68Low165 Ų16570 Ų7077%0.77142%0.417SS*.PPolyproline II helixtrans-86.4147.3170.5-68.2-173.316700109.7P43E41-P43 WeakPolarHBondContact O-CD 3.39Å
42A73.1Confident65.2Low21 Ų2174.2 Ų74.217%0.17444%0.439CS..PPolyproline II helixtrans-64131.1172.900000109.1L36 D44L36-A42 HydrophobicContact CD1-CB 4.34Å; L36-A42 HydrophobicContact CD2-CB 4.3Å; A42-D44 PolarHBondContact O-N 2.89Å
43P69.3Low61.9Low39 Ų3982.2 Ų82.225%0.25348%0.477SS..PPolyproline II helixtrans-57.7138.9-179.7-7.53.9000112E41 D45 R148 K254E41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-D45 PolarHBondContact O-N 3.06Å; P43-R148 VanDerWaalsContact CG-CZ 3.45Å; P43-R148 PolarHBondContact O-NH1 2.83Å; P43-R148 PolarHBondContact O-NH2 2.96Å; P43-K254 HydrophobicContact CG-CD 4.5Å
44D57Low58.8Low162 Ų16287.7 Ų87.787%0.86652%0.515SS*.SBendtrans-61.44.6-161.3-103.1-16.3000117.6A42 S46A42-D44 PolarHBondContact O-N 2.89Å; D44-S46 VanDerWaalsContact C-N 3.34Å; D44-S46 PolarHBondContact O-N 2.96Å
45D55.9Low55.6Low116 Ų11695.6 Ų95.662%0.6256%0.557SS**  trans-76.287.8171.3-50.9-45.4000109.1P43 L47 R148P43-D45 PolarHBondContact O-N 3.06Å; D45-L47 PolarHBondContact O-N 2.84Å; D45-R148 IonicContact OD2-NH2 2.81Å; D45-R148 PolarHBondContact OD2-NH2 2.85Å
46S40Very low52.6Low104 Ų10499.7 Ų99.773%0.72759%0.587SS**  trans-51.5137.2174.6540000110.9D44D44-S46 VanDerWaalsContact C-N 3.34Å; D44-S46 PolarHBondContact O-N 2.96Å
47L48.5Very low49.7Very low41 Ų41104.5 Ų104.522%0.21562%0.622CS.*  trans-42.4131.2164.8-75.5166.4000108.5D45 D49 A152 D259 L263D45-L47 PolarHBondContact O-N 2.84Å; L47-D49 VanDerWaalsContact C-N 3.29Å; L47-D49 PolarHBondContact O-N 2.8Å; L47-A152 HydrophobicContact CD2-CB 4.1Å; L47-D259 HydrophobicContact CD1-CB 3.85Å; L47-L263 HydrophobicContact CD2-CD1 4.26Å; L47-L263 HydrophobicContact CD2-CD2 4.16Å
48P38.5Very low47.2Very low88 Ų88110 Ų11057%0.57165%0.648SS**  trans-64.295.2179.323.5-31.3000109.3
49D31.7Very low44.7Very low136 Ų136109.9 Ų109.973%0.72765%0.65SS**  trans-73.6126.3162.6-89.4-24.2000107.1L47L47-D49 VanDerWaalsContact C-N 3.29Å; L47-D49 PolarHBondContact O-N 2.8Å
50S29.7Very low42.6Very low100 Ų100113.6 Ų113.670%0.69965%0.649SS**SBendtrans71.3119.5-175.552.10000117.6
51D29.8Very low40.1Very low149 Ų149120.4 Ų120.480%0.79768%0.681SS**  trans98.664.8161.6-52.5-13.9000117.8E53D51-E53 PolarHBondContact O-N 3.03Å
52L37.4Very low37.7Very low91 Ų91120.3 Ų120.348%0.47669%0.685SS.*  trans-79.117159.2-76.6166.1000112.9
53E28.1Very low35.7Very low168 Ų168128 Ų12879%0.78572%0.718SS**SBendtrans-119.5127.3176.1-70-164.417500111.3D51D51-E53 PolarHBondContact O-N 3.03Å
54S29.4Very low33.7Very low115 Ų115134 Ų13480%0.80475%0.747SS**  trans83.4123.516277.70000119.2S56S54-S56 PolarHBondContact O-N 2.98Å
55N26.7Very low32.3Very low170 Ų170132.5 Ų132.591%0.90974%0.744SS**  trans-43.8121.1160.8-72.8-33.8000111.6
56S27.3Very low31Very low105 Ų105134.3 Ų134.373%0.73475%0.754SS**  trans-159.8142.6143.754.40000112.1S54S54-S56 PolarHBondContact O-N 2.98Å
57S26.8Very low30.3Very low117 Ų117137.1 Ų137.182%0.81876%0.759SS**  trans-53123.2173.549.10000112.7
58E30.7Very low29.3Very low185 Ų185144.1 Ų144.186%0.86479%0.791SS**  trans-106.7112.7159.1-76.1-167.8155.800109.7
59S24.6Very low28.7Very low108 Ų108148.3 Ų148.376%0.75580%0.802SS**  trans-73.6126.4166.848.40000109.3
60L32.3Very low28.3Very low166 Ų166149.8 Ų149.887%0.86981%0.81SS**  trans-110.1115.2166.1-71.3172.1000108.8
61E28.3Very low28.2Very low183 Ų183149.3 Ų149.386%0.85581%0.813SS**  trans-68.5141.3172.6-67.3179.5156.400110E63E61-E63 PolarHBondContact O-N 2.95Å
62D26.7Very low28Very low163 Ų163150.3 Ų150.387%0.87282%0.816SS**  trans-62118.1178.7-62.1-56.8000111.4
63E30.8Very low27.7Very low182 Ų182148.5 Ų148.585%0.8582%0.819SS**  trans-122.4108.2154.6-74.5-165.2170.800109.1E61 V65E61-E63 PolarHBondContact O-N 2.95Å; E63-V65 PolarHBondContact O-N 3.13Å
64D26.6Very low28.2Very low164 Ų164145.3 Ų145.388%0.87781%0.807SS**  trans-55118.8169.2-70.7-52.3000110.1
65V29.6Very low29.3Very low132 Ų132143.6 Ų143.680%0.879%0.787SS**  trans-129.8122.2165.9-172.40000110.1E63E63-V65 PolarHBondContact O-N 3.13Å
66D27.8Very low31Very low153 Ų153137.4 Ų137.482%0.81875%0.752SS**  trans-53.8141.9-174.8-73-56.2000114.6E68D66-E68 PolarHBondContact O-N 3.28Å
67I25.5Very low33.2Very low164 Ų164133.1 Ų133.184%0.84172%0.724SS**  trans-68.6103.2174.1-60.8166.5000108.9
68E26.7Very low36.1Very low188 Ų188129.9 Ų129.988%0.87970%0.695SS**  trans-94.6107.8158.9-79.7-164.8162.500110.2D66 N70D66-E68 PolarHBondContact O-N 3.28Å; E68-N70 PolarHBondContact O-N 3.34Å
69E26.4Very low39.2Very low175 Ų175121 Ų12182%0.81865%0.653SS**  trans-53.998.4163.9-66.8176.4140.500109.9
70N24.2Very low42.6Very low168 Ų168115.9 Ų115.990%0.89862%0.617SS**  trans175.468.4152.9-87.4-36.1000112.6E68E68-N70 PolarHBondContact O-N 3.34Å
71A25.9Very low45.8Very low90 Ų90108 Ų10874%0.74458%0.576SS**  trans-154.911015400000108.7G73A71-G73 PolarHBondContact O-N 2.84Å
72I27.3Very low49.1Very low170 Ų17099.3 Ų99.387%0.87254%0.535SS*.  trans-68.386.4158.8-63.6172.4000103.9
73G29.5Very low52.6Low52 Ų5291.5 Ų91.554%0.53649%0.494SS..  trans-73.3144.5-164.300000113A71 Q75A71-G73 PolarHBondContact O-N 2.84Å; G73-Q75 PolarHBondContact O-N 3.23Å
74D40.3Very low55.8Low101 Ų10182.9 Ų82.954%0.5445%0.454SS..  trans-33.7117.9-179.2-152.727000113.5K254D74-K254 IonicContact OD1-NZ 2.69Å; D74-K254 PolarHBondContact OD1-NZ 2.87Å; D74-K254 IonicContact OD2-NZ 3.53Å; D74-K254 PolarHBondContact OD2-NZ 3.08Å
75Q52.3Low59.1Low79 Ų7975.1 Ų75.137%0.36941%0.412SS..  trans-72.2136.5179.5-61.1-175.1-56.600109.9G73 E944G73-Q75 PolarHBondContact O-N 3.23Å; Q75-E944 HydrophobicContact CB-CB 4.39Å; Q75-E944 HydrophobicContact CB-CG 3.11Å; Q75-E944 WeakPolarHBondContact CB-OE1 3.48Å; Q75-E944 HydrophobicContact CG-CG 3.99Å; Q75-E944 PolarHBondContact OE1-OE1 3.34Å
76E62.5Low62.2Low40 Ų4072.6 Ų72.619%0.18739%0.39CS..BIsolated β-bridgetrans-81145.6-174.3-162.3179.4-159.800111.3S939 L943 E944E76-S939 WeakPolarHBondContact OE2-CB 3.29Å; E76-S939 PolarHBondContact OE2-OG 2.98Å; E76-L943 HydrophobicContact CB-CD2 4.3Å; E76-L943 WeakPolarHBondContact O-CA 3.47Å; E76-L943 VanDerWaalsContact O-CD2 3.24Å; E76-L943 WeakPolarHBondContact O-CD2 3.25Å; E76-E944 PolarHBondContact O-N 3.46Å
77A73.2Confident65.3Low16 Ų1665.4 Ų65.413%0.13235%0.352CS..  trans-119140.3171.400000110.5
78K87.3Confident68.6Low48 Ų4857.6 Ų57.621%0.20931%0.312CS..EExtended strand (participates in β ladder)trans-67.8149.3171.4-73.3-165.3177.6-168.30111G128 D145 L943K78-G128 PolarHBondContact NZ-O 2.67Å; K78-D145 HydrophobicContact CD-CB 4.2Å; K78-D145 WeakPolarHBondContact CD-OD2 3.29Å; K78-D145 IonicContact NZ-OD1 3.91Å; K78-D145 PolarHBondContact NZ-OD1 2.68Å; K78-D145 IonicContact NZ-OD2 3.97Å; K78-D145 PolarHBondContact NZ-OD2 2.94Å; K78-L943 HydrophobicContact CG-CD2 4.25Å
79S94.7Very high71.9Confident0 Ų048.9 Ų48.90%027%0.272CS..EExtended strand (participates in β ladder)trans-107.9148.6168.4-560000108.7D145 V146 R148 F151 Q252 S253S79-D145 CarbonylContact O-C 3.58Å; S79-D145 WeakPolarHBondContact O-CA 3.42Å; S79-V146 PolarHBondContact N-O 2.67Å; S79-V146 PolarHBondContact O-N 3.01Å; S79-R148 WeakPolarHBondContact OG-CA 3.39Å; S79-F151 VanDerWaalsContact CB-CG 3.4Å; S79-Q252 CarbonylContact C-O 3.58Å; S79-Q252 WeakPolarHBondContact CA-O 3.26Å; S79-Q252 WeakPolarHBondContact CB-O 3.08Å; S79-S253 WeakPolarHBondContact CB-OG 3.44Å; S79-S253 WeakPolarHBondContact OG-CB 3.22Å; S79-S253 PolarHBondContact OG-OG 3.23Å
80A97.6Very high75.2Confident0 Ų041.2 Ų41.20%024%0.236CC..EExtended strand (participates in β ladder)trans-143.5156.6-176.800000111F144 D145 Q252 A461 V465A80-F144 CarbonylContact C-O 3.53Å; A80-F144 VanDerWaalsContact CA-O 3.22Å; A80-F144 WeakPolarHBondContact CA-O 3.46Å; A80-F144 WeakPolarHBondContact CB-O 3.2Å; A80-D145 HydrophobicContact CB-CB 4.07Å; A80-Q252 PolarHBondContact N-O 2.99Å; A80-Q252 PolarHBondContact O-N 3.38Å; A80-A461 HydrophobicContact CB-CB 3.86Å; A80-V465 HydrophobicContact CB-CG1 4.17Å; A80-V465 HydrophobicContact CB-CG2 3.64Å
81A98.6Very high78.4Confident0 Ų034.3 Ų34.30%020%0.2CC..EExtended strand (participates in β ladder)trans-141.5147.4168.600000111H143 F144 F151 L155 A250 V251A81-H143 CarbonylContact O-C 3.57Å; A81-H143 VanDerWaalsContact O-CA 3.24Å; A81-H143 WeakPolarHBondContact O-CA 3.43Å; A81-F144 HydrophobicContact CB-CD1 4.31Å; A81-F144 HydrophobicContact CB-CE1 3.68Å; A81-F144 HydrophobicContact CB-CZ 4.05Å; A81-F144 PolarHBondContact N-O 3.18Å; A81-F144 PolarHBondContact O-N 2.95Å; A81-F151 HydrophobicContact CB-CE2 4.27Å; A81-F151 HydrophobicContact CB-CZ 4.24Å; A81-L155 HydrophobicContact CB-CD1 3.61Å; A81-A250 CarbonylContact C-O 3.54Å; A81-A250 WeakPolarHBondContact CA-O 3.39Å; A81-V251 HydrophobicContact CB-CG2 3.99Å
82A98.6Very high81.7Confident0 Ų030.4 Ų30.40%017%0.167CC..EExtended strand (participates in β ladder)trans-137138172.100000110.7L141 F142 H143 L249 A250 V465 V466 A469A82-L141 HydrophobicContact CB-CD2 4.45Å; A82-F142 CarbonylContact C-O 3.53Å; A82-F142 WeakPolarHBondContact CA-O 3.1Å; A82-H143 HydrophobicContact CB-CB 3.71Å; A82-L249 CarbonylContact O-C 3.56Å; A82-L249 WeakPolarHBondContact O-CA 3.43Å; A82-L249 WeakPolarHBondContact O-CD1 3.48Å; A82-A250 PolarHBondContact N-O 3.06Å; A82-A250 PolarHBondContact O-N 2.99Å; A82-V465 HydrophobicContact CB-CB 3.96Å; A82-V465 HydrophobicContact CB-CG2 3.81Å; A82-V465 WeakPolarHBondContact CB-O 3.28Å; A82-V466 HydrophobicContact CB-CG2 4.3Å; A82-A469 HydrophobicContact CB-CB 3.85Å; A82-A469 WeakPolarHBondContact O-CB 3.39Å
83L98.6Very high84.9Confident0 Ų023.5 Ų23.50%013%0.133CC..EExtended strand (participates in β ladder)trans-123123.3176.1-172.9150.1000109.4L28 I85 F142 F158 F162 M247 T248 L249 F268 I271L28-L83 HydrophobicContact CD1-CD1 4.34Å; L83-I85 HydrophobicContact CD2-CD1 4.1Å; L83-I85 HydrophobicContact CD2-CG1 3.49Å; L83-I85 VanDerWaalsContact CD2-CG1 3.49Å; L83-F142 PolarHBondContact N-O 2.87Å; L83-F142 PolarHBondContact O-N 2.97Å; L83-F158 HydrophobicContact CB-CE1 3.8Å; L83-F158 HydrophobicContact CB-CZ 3.9Å; L83-F162 HydrophobicContact CB-CE2 4.22Å; L83-F162 HydrophobicContact CB-CZ 4.27Å; L83-F162 HydrophobicContact CD1-CD2 3.76Å; L83-F162 HydrophobicContact CD1-CE2 3.78Å; L83-F162 HydrophobicContact CD1-CG 4.31Å; L83-F162 HydrophobicContact CD1-CZ 4.36Å; L83-F162 HydrophobicContact CD2-CD1 4.16Å; L83-F162 HydrophobicContact CD2-CD2 4.4Å; L83-F162 HydrophobicContact CD2-CE1 3.88Å; L83-F162 HydrophobicContact CD2-CE2 4.13Å; L83-F162 HydrophobicContact CD2-CG 4.42Å; L83-F162 HydrophobicContact CD2-CZ 3.86Å; L83-F162 HydrophobicContact CG-CE2 4.27Å; L83-F162 HydrophobicContact CG-CZ 4.39Å; L83-M247 HydrophobicContact CD1-SD 4.08Å; L83-M247 HydrophobicContact CD2-CB 4.31Å; L83-M247 HydrophobicContact CD2-CG 4.01Å; L83-M247 HydrophobicContact CD2-SD 3.95Å; L83-M247 HydrophobicContact CG-CB 4.45Å; L83-T248 CarbonylContact C-O 3.5Å; L83-T248 VanDerWaalsContact CA-O 3.31Å; L83-T248 WeakPolarHBondContact CA-O 3.35Å; L83-L249 HydrophobicContact CB-CD1 4.23Å; L83-L249 HydrophobicContact CD1-CD1 4.48Å; L83-F268 HydrophobicContact CD1-CD1 4.22Å; L83-F268 HydrophobicContact CD1-CE1 3.93Å; L83-I271 HydrophobicContact CD1-CD1 4.31Å
84C97.9Very high87.8Confident1 Ų127.1 Ų27.11%0.00714%0.139CC..EExtended strand (participates in β ladder)trans-114124.4179-176.60000110.3L141 M247 T248 A469 H473C84-L141 HydrophobicContact CB-CB 4.43Å; C84-L141 HydrophobicContact CB-CD1 4.01Å; C84-L141 HydrophobicContact CB-CG 4.14Å; C84-M247 WeakPolarHBondContact O-CA 3.29Å; C84-T248 PolarHBondContact N-O 2.72Å; C84-T248 PolarHBondContact O-N 3.18Å; C84-T248 PolarHBondContact O-OG1 2.98Å; C84-A469 HydrophobicContact CB-CB 4.12Å; C84-H473 PolarHBondContact O-NE2 2.79Å
85I96.5Very high90.2Very high0 Ų026.4 Ų26.40%013%0.133CC..EExtended strand (participates in β ladder)trans-103.4130-179-42.6177.5000108.3L83 V87 Y139 T140 F142 F162 Y242 R246 M247L83-I85 HydrophobicContact CD2-CD1 4.1Å; L83-I85 HydrophobicContact CD2-CG1 3.49Å; L83-I85 VanDerWaalsContact CD2-CG1 3.49Å; I85-V87 HydrophobicContact CB-CG1 4.18Å; I85-V87 HydrophobicContact CG2-CG1 3.67Å; I85-V87 PolarHBondContact O-N 3.16Å; I85-Y139 VanDerWaalsContact O-CA 3.31Å; I85-Y139 WeakPolarHBondContact O-CA 3.3Å; I85-T140 PolarHBondContact N-O 3.2Å; I85-T140 PolarHBondContact O-N 2.97Å; I85-F142 HydrophobicContact CD1-CE2 3.91Å; I85-F162 HydrophobicContact CD1-CD1 4.05Å; I85-F162 HydrophobicContact CD1-CE1 4.03Å; I85-Y242 HydrophobicContact CD1-CD1 3.96Å; I85-Y242 HydrophobicContact CD1-CD2 3.86Å; I85-Y242 HydrophobicContact CD1-CE1 3.8Å; I85-Y242 HydrophobicContact CD1-CE2 3.71Å; I85-Y242 HydrophobicContact CD1-CG 3.99Å; I85-R246 HydrophobicContact CG2-CB 4.4Å; I85-M247 HydrophobicContact CD1-CE 4.05Å; I85-M247 HydrophobicContact CG1-CE 4.28Å; I85-M247 HydrophobicContact CG1-CG 4.17Å; I85-M247 HydrophobicContact CG2-CE 4.46Å; I85-M247 HydrophobicContact CG2-CG 4.26Å
86K94.5Very high92.2Very high79 Ų7922.7 Ų22.734%0.34312%0.115SC..SBendtrans-76.762.4173.2-166.9170.8-175.1171.10112.1E138 Y139 R246K86-E138 CarbonylContact C-O 3.59Å; K86-E138 VanDerWaalsContact C-O 3.3Å; K86-Y139 HydrophobicContact CB-CD1 4.27Å; K86-Y139 HydrophobicContact CB-CE1 4.1Å; K86-Y139 HydrophobicContact CD-CE1 4.21Å; K86-Y139 HydrophobicContact CG-CD1 4.25Å; K86-Y139 HydrophobicContact CG-CE1 3.74Å; K86-R246 HydrophobicContact CB-CB 4.43Å; K86-R246 PolarHBondContact N-O 3.17Å
87V93.7Very high93.8Very high3 Ų322.1 Ų22.12%0.01811%0.113CC..  trans-150.3140.5166.8660000107.5I85 E138 Y139 T140 F241 Y242I85-V87 HydrophobicContact CB-CG1 4.18Å; I85-V87 HydrophobicContact CG2-CG1 3.67Å; I85-V87 PolarHBondContact O-N 3.16Å; V87-E138 CarbonylContact C-O 3.59Å; V87-E138 VanDerWaalsContact CA-O 3.31Å; V87-E138 WeakPolarHBondContact CA-O 3.39Å; V87-E138 PolarHBondContact N-O 3.35Å; V87-Y139 CarbonylContact O-C 3.5Å; V87-Y139 WeakPolarHBondContact O-CA 3.44Å; V87-T140 PolarHBondContact O-N 3.08Å; V87-T140 PolarHBondContact O-OG1 2.72Å; V87-T140 VanDerWaalsContact O-OG1 3.13Å; V87-F241 HydrophobicContact CB-CB 4.05Å; V87-F241 HydrophobicContact CG1-CB 4.09Å; V87-F241 HydrophobicContact CG2-CB 3.71Å; V87-F241 HydrophobicContact CG2-CD1 4.04Å; V87-F241 HydrophobicContact CG2-CD2 4.22Å; V87-F241 HydrophobicContact CG2-CG 3.74Å; V87-Y242 HydrophobicContact CG1-CD1 4.23Å; V87-Y242 HydrophobicContact CG1-CE1 4.03Å
88G95Very high94.9Very high0 Ų021.4 Ų21.40%011%0.106CC..  trans-150.8-161.3172.900000109.9F90 S91 S100 N137 E138G88-F90 PolarHBondContact O-N 2.98Å; G88-F90 VanDerWaalsContact O-N 3.1Å; G88-S91 WeakPolarHBondContact O-CB 3.15Å; G88-S91 PolarHBondContact O-N 2.74Å; G88-S100 PolarHBondContact O-OG 3.4Å; G88-N137 CarbonylContact C-O 3.47Å; G88-N137 WeakPolarHBondContact CA-O 3.39Å; G88-E138 PolarHBondContact N-O 2.84Å
89S95.6Very high95.3Very high5 Ų519.1 Ų19.14%0.03510%0.096CC..G310 helixtrans-61.9-19-17458.60000115.7S91 D92 G136 N137S89-S91 PolarHBondContact O-N 3.19Å; S89-D92 VanDerWaalsContact O-CB 3.26Å; S89-D92 WeakPolarHBondContact O-CB 3.25Å; S89-D92 PolarHBondContact O-N 3.11Å; S89-G136 PolarHBondContact N-O 3.04Å; S89-G136 PolarHBondContact OG-O 2.78Å; S89-G136 VanDerWaalsContact OG-O 3.05Å; S89-N137 PolarHBondContact N-O 3.2Å; S89-N137 VanDerWaalsContact N-O 3.15Å; S89-N137 WeakPolarHBondContact OG-CA 3.38Å; S89-N137 PolarHBondContact OG-OD1 3.42Å
90F94.5Very high95.5Very high13 Ų1319.2 Ų19.26%0.05710%0.097CC..G310 helixtrans-66-13.8171.3-75.30.5000113.5G88 N137 E138 P207 Y208 L281 L368G88-F90 PolarHBondContact O-N 2.98Å; G88-F90 VanDerWaalsContact O-N 3.1Å; F90-N137 VanDerWaalsContact CB-O 3.22Å; F90-N137 WeakPolarHBondContact CB-O 3.25Å; F90-N137 HydrophobicContact CD1-CB 3.69Å; F90-N137 HydrophobicContact CD2-CB 3.9Å; F90-N137 HydrophobicContact CE1-CB 3.55Å; F90-N137 WeakPolarHBondContact CE1-OD1 3.17Å; F90-N137 HydrophobicContact CE2-CB 3.76Å; F90-N137 HydrophobicContact CG-CB 3.88Å; F90-N137 WeakPolarHBondContact CG-O 3.43Å; F90-N137 HydrophobicContact CZ-CB 3.59Å; F90-N137 VanDerWaalsContact CZ-CG 3.46Å; F90-N137 VanDerWaalsContact CZ-ND2 3.3Å; F90-N137 WeakPolarHBondContact CZ-ND2 3.15Å; F90-N137 PolarHBondContact N-O 3.41Å; F90-E138 HydrophobicContact CD2-CG 3.89Å; F90-E138 HydrophobicContact CE2-CG 4.37Å; F90-P207 HydrophobicContact CB-CB 3.78Å; F90-P207 HydrophobicContact CD1-CB 3.64Å; F90-P207 HydrophobicContact CD2-CB 3.83Å; F90-P207 HydrophobicContact CE1-CB 4.1Å; F90-P207 HydrophobicContact CE2-CB 4.27Å; F90-P207 HydrophobicContact CG-CB 3.48Å; F90-P207 VanDerWaalsContact CG-CB 3.48Å; F90-P207 HydrophobicContact CZ-CB 4.39Å; F90-Y208 HydrophobicContact CE1-CD1 4.32Å; F90-Y208 HydrophobicContact CE1-CG 4.32Å; F90-Y208 HydrophobicContact CE2-CD2 4.33Å; F90-Y208 HydrophobicContact CE2-CE2 4.11Å; F90-Y208 AromaticContact CZ-CD1 3.79Å; F90-Y208 HydrophobicContact CZ-CD1 3.79Å; F90-Y208 AromaticContact CZ-CD2 3.8Å; F90-Y208 HydrophobicContact CZ-CD2 3.8Å; F90-Y208 AromaticContact CZ-CE1 3.82Å; F90-Y208 HydrophobicContact CZ-CE1 3.82Å; F90-Y208 AromaticContact CZ-CE2 3.82Å; F90-Y208 HydrophobicContact CZ-CE2 3.82Å; F90-Y208 AromaticContact CZ-CG 3.79Å; F90-Y208 HydrophobicContact CZ-CG 3.79Å; F90-Y208 AromaticContact CZ-CZ 3.84Å; F90-L281 HydrophobicContact CB-CD1 4.41Å; F90-L281 HydrophobicContact CB-CD2 4.19Å; F90-L281 HydrophobicContact CD2-CD1 4.09Å; F90-L368 HydrophobicContact CD2-CD1 4.31Å; F90-L368 HydrophobicContact CE2-CD1 3.97Å
91S93.1Very high95.5Very high23 Ų2319.9 Ų19.916%0.16110%0.1CC..G310 helixtrans-97.42.7172.9-60.10000113.1G88 S89 H237G88-S91 WeakPolarHBondContact O-CB 3.15Å; G88-S91 PolarHBondContact O-N 2.74Å; S89-S91 PolarHBondContact O-N 3.19Å; S91-H237 PolarHBondContact O-CE1 2.85Å
92D94.7Very high95.4Very high8 Ų819.9 Ų19.94%0.04310%0.1CC..SBendtrans-66.9139.6179.4-73.6-8.4000111.3S89 G98 L99 S100 H237S89-D92 VanDerWaalsContact O-CB 3.26Å; S89-D92 WeakPolarHBondContact O-CB 3.25Å; S89-D92 PolarHBondContact O-N 3.11Å; D92-G98 WeakPolarHBondContact OD2-CA 3.25Å; D92-G98 PolarHBondContact OD2-N 3.33Å; D92-L99 PolarHBondContact OD2-N 3.44Å; D92-L99 VanDerWaalsContact OD2-N 3.09Å; D92-S100 VanDerWaalsContact OD1-CB 3.22Å; D92-S100 WeakPolarHBondContact OD1-CB 3.49Å; D92-S100 PolarHBondContact OD1-N 2.76Å; D92-S100 PolarHBondContact OD1-OG 3.21Å; D92-H237 IonicContact OD1-NE2 3.71Å
93P93.2Very high95.3Very high25 Ų2519.9 Ų19.916%0.16210%0.1CC..  trans-66.3142.2171.127.4-31.7000110.7E95 A96 L99 L233P93-E95 HydrophobicContact CB-CG 4.09Å; P93-E95 PolarHBondContact O-N 2.88Å; P93-E95 VanDerWaalsContact O-N 3.17Å; P93-A96 HydrophobicContact CG-CB 4.21Å; P93-A96 CarbonylContact O-C 3.56Å; P93-A96 VanDerWaalsContact O-C 3.25Å; P93-A96 PolarHBondContact O-N 2.87Å; P93-L99 HydrophobicContact CG-CD2 3.68Å; P93-L233 HydrophobicContact CB-CD2 4.34Å; P93-L233 HydrophobicContact CG-CD1 4.26Å; P93-L233 HydrophobicContact CG-CD2 3.64Å; P93-L233 HydrophobicContact CG-CG 4.03Å
94I91.3Very high95.2Very high129 Ų12920.5 Ų20.566%0.66210%0.103SC*.THydrogen-bonded Turntrans-58.6-34-178.2-65.9172.5000111.2A96 Q97 L210I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 3Å; I94-Q97 PolarHBondContact O-NE2 3.11Å; I94-Q97 VanDerWaalsContact O-NE2 3.11Å; I94-L210 HydrophobicContact CG1-CD2 4.18Å
95E91.9Very high95Very high86 Ų8621.1 Ų21.140%0.40211%0.106SC..THydrogen-bonded Turntrans-71.7-16.3178.560.6-93.1-144.500114.7P93 T228 L233P93-E95 HydrophobicContact CB-CG 4.09Å; P93-E95 PolarHBondContact O-N 2.88Å; P93-E95 VanDerWaalsContact O-N 3.17Å; E95-T228 HydrophobicContact CG-CG2 4.24Å; E95-L233 HydrophobicContact CG-CD2 4.07Å
96A94.1Very high94.9Very high0 Ų021.1 Ų21.10%011%0.106CC..SBendtrans-146.981177.500000111.1P93 I94 L99 P223 I230 L233P93-A96 HydrophobicContact CG-CB 4.21Å; P93-A96 CarbonylContact O-C 3.56Å; P93-A96 VanDerWaalsContact O-C 3.25Å; P93-A96 PolarHBondContact O-N 2.87Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 3Å; A96-L99 WeakPolarHBondContact O-CB 3.44Å; A96-P223 HydrophobicContact CB-CG 4.41Å; A96-I230 HydrophobicContact CB-CD1 3.57Å; A96-L233 HydrophobicContact CB-CD2 3.55Å
97Q95.3Very high94.9Very high29 Ų2917.3 Ų17.314%0.1369%0.089CC..THydrogen-bonded Turntrans-80.4130.5-177.7-61173.64600110.3I94 L210 F211 S218I94-Q97 PolarHBondContact O-NE2 3.11Å; I94-Q97 VanDerWaalsContact O-NE2 3.11Å; Q97-L210 HydrophobicContact CG-CD2 4.22Å; Q97-F211 CarbonylContact C-O 3.57Å; Q97-F211 VanDerWaalsContact C-O 3.26Å; Q97-F211 HydrophobicContact CB-CB 3.98Å; Q97-F211 WeakPolarHBondContact CB-O 3.4Å; Q97-S218 VanDerWaalsContact O-CB 3.25Å; Q97-S218 WeakPolarHBondContact O-CB 2.9Å; Q97-S218 PolarHBondContact O-OG 3.3Å
98G96Very high94.8Very high0 Ų018.1 Ų18.10%09%0.093CC..THydrogen-bonded Turntrans9710.3-169.100000114D92 S100 H101 F102 F211D92-G98 WeakPolarHBondContact OD2-CA 3.25Å; D92-G98 PolarHBondContact OD2-N 3.33Å; G98-S100 PolarHBondContact O-N 3.25Å; G98-H101 PolarHBondContact O-N 2.8Å; G98-F102 WeakPolarHBondContact O-CB 3.4Å; G98-F102 PolarHBondContact O-N 3.26Å; G98-F211 PolarHBondContact N-O 2.78Å; G98-F211 VanDerWaalsContact N-O 3.15Å
99L97Very high94.6Very high0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-67.7-35-175.3-170.868.1000112.6D92 P93 A96 F102 L103 I230 L233 L234 H237D92-L99 PolarHBondContact OD2-N 3.44Å; D92-L99 VanDerWaalsContact OD2-N 3.09Å; P93-L99 HydrophobicContact CG-CD2 3.68Å; A96-L99 WeakPolarHBondContact O-CB 3.44Å; L99-F102 HydrophobicContact CD1-CD1 4.31Å; L99-F102 PolarHBondContact O-N 3.46Å; L99-L103 WeakPolarHBondContact O-CB 3.32Å; L99-L103 PolarHBondContact O-N 3.19Å; L99-I230 HydrophobicContact CD1-CD1 3.86Å; L99-I230 HydrophobicContact CD1-CG1 4.46Å; L99-L233 HydrophobicContact CD2-CB 4.45Å; L99-L233 HydrophobicContact CD2-CD2 4.12Å; L99-L233 HydrophobicContact CD2-CG 3.74Å; L99-L234 HydrophobicContact CD1-CB 4.16Å; L99-L234 HydrophobicContact CD1-CD1 3.8Å; L99-L234 HydrophobicContact CG-CD1 4.34Å; L99-H237 HydrophobicContact CD2-CB 3.73Å; L99-H237 HydrophobicContact CG-CB 4.37Å
100S97.2Very high94.3Very high2 Ų218.7 Ų18.71%0.01410%0.096CC..Hα-helixtrans-65.9-42.3175.1-60.50000111.6G88 D92 G98 L103 E104 H237G88-S100 PolarHBondContact O-OG 3.4Å; D92-S100 VanDerWaalsContact OD1-CB 3.22Å; D92-S100 WeakPolarHBondContact OD1-CB 3.49Å; D92-S100 PolarHBondContact OD1-N 2.76Å; D92-S100 PolarHBondContact OD1-OG 3.21Å; G98-S100 PolarHBondContact O-N 3.25Å; S100-L103 PolarHBondContact O-N 2.67Å; S100-E104 PolarHBondContact O-N 3.09Å; S100-H237 PolarHBondContact OG-NE2 3.04Å
101H97.5Very high94.3Very high14 Ų1418.1 Ų18.17%0.0659%0.094CC..Hα-helixtrans-64.7-42.3174.7-177.5-151.6000111.1G98 L103 E104 H105 T135 E182 Y213G98-H101 PolarHBondContact O-N 2.8Å; H101-L103 VanDerWaalsContact C-N 3.33Å; H101-L103 PolarHBondContact O-N 2.79Å; H101-E104 IonicContact CD2-OE2 2.7Å; H101-E104 PolarHBondContact CD2-OE2 2.84Å; H101-E104 IonicContact NE2-OE2 3.28Å; H101-E104 WeakPolarHBondContact O-CB 3.48Å; H101-E104 PolarHBondContact O-N 2.88Å; H101-H105 AromaticContact CD2-CD2 3.93Å; H101-H105 AromaticContact NE2-CD2 3.83Å; H101-H105 AromaticContact NE2-NE2 3.5Å; H101-H105 PolarHBondContact NE2-NE2 2.98Å; H101-H105 PolarHBondContact O-CD2 2.9Å; H101-H105 PolarHBondContact O-N 2.92Å; H101-T135 HydrophobicContact CB-CG2 4.32Å; H101-E182 IonicContact CE1-OE1 3.29Å; H101-E182 IonicContact CE1-OE2 2.58Å; H101-E182 IonicContact NE2-OE1 3.63Å; H101-E182 IonicContact NE2-OE2 2.98Å; H101-Y213 PolarHBondContact ND1-O 2.86Å
102F96.8Very high94.4Very high0 Ų023.2 Ų23.20%012%0.119CC..Hα-helixtrans-63.8-36.8174.4-177.4-136000112.9G98 L99 E104 H105 M106 T172 E175 I176 V179 L219 I230 L234G98-F102 WeakPolarHBondContact O-CB 3.4Å; G98-F102 PolarHBondContact O-N 3.26Å; L99-F102 HydrophobicContact CD1-CD1 4.31Å; L99-F102 PolarHBondContact O-N 3.46Å; F102-E104 VanDerWaalsContact C-N 3.32Å; F102-H105 PolarHBondContact O-N 3.13Å; F102-M106 HydrophobicContact CD2-CG 3.94Å; F102-M106 HydrophobicContact CE1-CG 4.22Å; F102-M106 HydrophobicContact CE2-CG 3.5Å; F102-M106 VanDerWaalsContact CE2-CG 3.5Å; F102-M106 HydrophobicContact CE2-SD 3.68Å; F102-M106 HydrophobicContact CG-CG 4.44Å; F102-M106 HydrophobicContact CZ-CG 3.64Å; F102-M106 HydrophobicContact CZ-SD 3.74Å; F102-M106 VanDerWaalsContact O-CG 3.22Å; F102-M106 WeakPolarHBondContact O-CG 3.34Å; F102-M106 PolarHBondContact O-N 3.09Å; F102-T172 HydrophobicContact CE1-CG2 4.18Å; F102-T172 HydrophobicContact CZ-CG2 3.77Å; F102-E175 HydrophobicContact CD2-CB 4.44Å; F102-E175 HydrophobicContact CE2-CB 3.71Å; F102-I176 HydrophobicContact CD2-CG1 4.23Å; F102-I176 HydrophobicContact CE1-CD1 4.29Å; F102-I176 HydrophobicContact CE1-CG1 4.04Å; F102-I176 HydrophobicContact CE2-CG1 3.66Å; F102-I176 HydrophobicContact CZ-CD1 4.09Å; F102-I176 HydrophobicContact CZ-CG1 3.57Å; F102-V179 HydrophobicContact CD2-CG2 4.32Å; F102-L219 HydrophobicContact CB-CD1 3.93Å; F102-L219 HydrophobicContact CB-CD2 4.36Å; F102-L219 HydrophobicContact CG-CD1 4.23Å; F102-I230 HydrophobicContact CE1-CG1 4.48Å; F102-L234 HydrophobicContact CD1-CD1 3.85Å; F102-L234 HydrophobicContact CD1-CD2 4.39Å; F102-L234 HydrophobicContact CE1-CD1 4.29Å; F102-L234 HydrophobicContact CE1-CD2 4.01Å
103L97Very high94.4Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-65-36.8174.3-178.958.6000112.3L99 S100 H101 M106 V107 L167 L234 R238 Y242L99-L103 WeakPolarHBondContact O-CB 3.32Å; L99-L103 PolarHBondContact O-N 3.19Å; S100-L103 PolarHBondContact O-N 2.67Å; H101-L103 VanDerWaalsContact C-N 3.33Å; H101-L103 PolarHBondContact O-N 2.79Å; L103-M106 PolarHBondContact O-N 3.23Å; L103-V107 HydrophobicContact CD1-CG1 4.17Å; L103-V107 WeakPolarHBondContact O-CG1 3.45Å; L103-V107 PolarHBondContact O-N 2.98Å; L103-L167 HydrophobicContact CD1-CD1 4.16Å; L103-L167 HydrophobicContact CD1-CD2 3.75Å; L103-L234 HydrophobicContact CB-CD1 3.67Å; L103-L234 HydrophobicContact CD1-CD1 3.91Å; L103-L234 HydrophobicContact CD1-CG 4.15Å; L103-L234 HydrophobicContact CG-CD1 4.34Å; L103-R238 HydrophobicContact CD1-CB 4Å; L103-R238 HydrophobicContact CD1-CG 4.25Å; L103-R238 HydrophobicContact CD2-CB 3.84Å; L103-R238 HydrophobicContact CD2-CG 4.25Å; L103-Y242 HydrophobicContact CD2-CD1 3.88Å; L103-Y242 HydrophobicContact CD2-CE1 3.42Å; L103-Y242 VanDerWaalsContact CD2-CE1 3.42Å; L103-Y242 HydrophobicContact CD2-CE2 4.13Å; L103-Y242 HydrophobicContact CD2-CG 4.42Å; L103-Y242 HydrophobicContact CG-CE1 4.16Å; L103-Y242 HydrophobicContact CG-CE2 4.2Å
104E96.9Very high94.4Very high13 Ų1328 Ų286%0.06114%0.136CC..Hα-helixtrans-59.2-45174.6177.5-111.7111.300111.9S100 H101 F102 V107 F108 A133 T135 T140 F142S100-E104 PolarHBondContact O-N 3.09Å; H101-E104 IonicContact CD2-OE2 2.7Å; H101-E104 PolarHBondContact CD2-OE2 2.84Å; H101-E104 IonicContact NE2-OE2 3.28Å; H101-E104 WeakPolarHBondContact O-CB 3.48Å; H101-E104 PolarHBondContact O-N 2.88Å; F102-E104 VanDerWaalsContact C-N 3.32Å; E104-V107 WeakPolarHBondContact O-CG2 3.5Å; E104-F108 VanDerWaalsContact O-CD2 3.26Å; E104-F108 WeakPolarHBondContact O-CD2 3.4Å; E104-A133 HydrophobicContact CG-CB 3.66Å; E104-A133 WeakPolarHBondContact OE1-CB 3.43Å; E104-T135 WeakPolarHBondContact CB-OG1 3.42Å; E104-T135 PolarHBondContact OE2-OG1 2.96Å; E104-T140 HydrophobicContact CB-CG2 3.96Å; E104-T140 HydrophobicContact CG-CG2 3.92Å; E104-F142 HydrophobicContact CB-CE1 4.17Å; E104-F142 HydrophobicContact CB-CZ 3.97Å; E104-F142 HydrophobicContact CG-CD1 4.36Å; E104-F142 HydrophobicContact CG-CE1 3.52Å; E104-F142 HydrophobicContact CG-CZ 3.68Å
105H93.3Very high94.4Very high14 Ų1425.5 Ų25.57%0.06513%0.128CC..Hα-helixtrans-60.1-48.1170.9-82.3-117.2000112.9H101 F102 V107 F108 E175 E182H101-H105 AromaticContact CD2-CD2 3.93Å; H101-H105 AromaticContact NE2-CD2 3.83Å; H101-H105 AromaticContact NE2-NE2 3.5Å; H101-H105 PolarHBondContact NE2-NE2 2.98Å; H101-H105 PolarHBondContact O-CD2 2.9Å; H101-H105 PolarHBondContact O-N 2.92Å; F102-H105 PolarHBondContact O-N 3.13Å; H105-V107 VanDerWaalsContact C-N 3.27Å; H105-V107 PolarHBondContact O-N 2.93Å; H105-F108 PolarHBondContact O-N 2.75Å; H105-E175 HydrophobicContact CB-CB 4.48Å; H105-E175 IonicContact CG-OE2 2.76Å; H105-E175 IonicContact ND1-OE2 3.5Å; H105-E175 PolarHBondContact ND1-OE2 3Å; H105-E182 IonicContact NE2-OE2 2.96Å
106M94.7Very high94.1Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-68.9-20.6-169.4-72.1-65.8-60.900114.1F102 L103 F108 M109 L167 S168 E175 L234F102-M106 HydrophobicContact CD2-CG 3.94Å; F102-M106 HydrophobicContact CE1-CG 4.22Å; F102-M106 HydrophobicContact CE2-CG 3.5Å; F102-M106 VanDerWaalsContact CE2-CG 3.5Å; F102-M106 HydrophobicContact CE2-SD 3.68Å; F102-M106 HydrophobicContact CG-CG 4.44Å; F102-M106 HydrophobicContact CZ-CG 3.64Å; F102-M106 HydrophobicContact CZ-SD 3.74Å; F102-M106 VanDerWaalsContact O-CG 3.22Å; F102-M106 WeakPolarHBondContact O-CG 3.34Å; F102-M106 PolarHBondContact O-N 3.09Å; L103-M106 PolarHBondContact O-N 3.23Å; M106-F108 VanDerWaalsContact C-N 3.31Å; M106-M109 PolarHBondContact O-N 3.47Å; M106-L167 HydrophobicContact CB-CD2 3.65Å; M106-S168 WeakPolarHBondContact CE-O 3.29Å; M106-E175 HydrophobicContact SD-CB 3.71Å; M106-E175 HydrophobicContact SD-CG 3.82Å; M106-L234 HydrophobicContact CB-CD2 4.13Å; M106-L234 HydrophobicContact CE-CD2 4.48Å; M106-L234 HydrophobicContact CG-CD2 3.87Å
107V94.5Very high93.6Very high0 Ų028.2 Ų28.20%015%0.147CC..THydrogen-bonded Turntrans-74.9-18.7177.1-65.80000113.7L103 E104 H105 M109 F142 F161 P165 L167 Y242L103-V107 HydrophobicContact CD1-CG1 4.17Å; L103-V107 WeakPolarHBondContact O-CG1 3.45Å; L103-V107 PolarHBondContact O-N 2.98Å; E104-V107 WeakPolarHBondContact O-CG2 3.5Å; H105-V107 VanDerWaalsContact C-N 3.27Å; H105-V107 PolarHBondContact O-N 2.93Å; V107-M109 VanDerWaalsContact C-N 3.28Å; V107-F142 HydrophobicContact CG2-CD1 4.33Å; V107-F142 HydrophobicContact CG2-CE1 3.4Å; V107-F142 HydrophobicContact CG2-CZ 3.79Å; V107-F161 HydrophobicContact CB-CB 4.12Å; V107-F161 HydrophobicContact CG2-CB 4.36Å; V107-F161 HydrophobicContact CG2-CD2 4.49Å; V107-F161 WeakPolarHBondContact O-CD1 3.42Å; V107-P165 HydrophobicContact CB-CB 4.32Å; V107-P165 HydrophobicContact CG1-CB 3.98Å; V107-P165 HydrophobicContact CG1-CG 4.1Å; V107-L167 HydrophobicContact CG1-CD2 4.29Å; V107-Y242 HydrophobicContact CG1-CE2 4.02Å
108F91.8Very high92.8Very high20 Ų2027.2 Ų27.29%0.08814%0.143CC..THydrogen-bonded Turntrans-75.1-17.9172.1-72.1-92.4000112.8E104 H105 M106 G110 F120 N131 A133 F142 F161E104-F108 VanDerWaalsContact O-CD2 3.26Å; E104-F108 WeakPolarHBondContact O-CD2 3.4Å; H105-F108 PolarHBondContact O-N 2.75Å; M106-F108 VanDerWaalsContact C-N 3.31Å; F108-G110 PolarHBondContact O-N 2.94Å; F108-F120 HydrophobicContact CD1-CD1 4.39Å; F108-F120 HydrophobicContact CE1-CD1 4.35Å; F108-N131 VanDerWaalsContact CE1-OD1 3.24Å; F108-N131 WeakPolarHBondContact CE1-OD1 3.23Å; F108-A133 HydrophobicContact CE2-CB 3.99Å; F108-A133 HydrophobicContact CZ-CB 4.06Å; F108-F142 AromaticContact CE2-CD1 3.75Å; F108-F142 HydrophobicContact CE2-CD1 3.75Å; F108-F142 AromaticContact CE2-CE1 3.84Å; F108-F142 HydrophobicContact CE2-CE1 3.84Å; F108-F142 AromaticContact CZ-CD1 3.94Å; F108-F142 HydrophobicContact CZ-CD1 3.94Å; F108-F142 HydrophobicContact CZ-CE1 4.49Å; F108-F161 AromaticContact CD1-CE2 3.63Å; F108-F161 HydrophobicContact CD1-CE2 3.63Å; F108-F161 AromaticContact CD1-CZ 3.8Å; F108-F161 HydrophobicContact CD1-CZ 3.8Å; F108-F161 AromaticContact CE1-CE2 3.61Å; F108-F161 HydrophobicContact CE1-CE2 3.61Å; F108-F161 HydrophobicContact CE1-CZ 4.17Å; F108-F161 HydrophobicContact CG-CE2 4.17Å; F108-F161 HydrophobicContact CG-CZ 4.39Å; F108-F161 HydrophobicContact CZ-CE2 4.16Å
109M90.5Very high92.3Very high10 Ų1029.3 Ų29.35%0.04915%0.154CC..SBendtrans-80.131.1-174.8-58.6-61.8108.100113.8M106 V107 E175M106-M109 PolarHBondContact O-N 3.47Å; V107-M109 VanDerWaalsContact C-N 3.28Å; M109-E175 HydrophobicContact CG-CG 3.95Å; M109-E175 HydrophobicContact SD-CG 4.09Å
110G90Very high92Very high6 Ų629.6 Ų29.66%0.06216%0.155CC..  trans94.6162176.800000115F108 Y114 L166F108-G110 PolarHBondContact O-N 2.94Å; G110-Y114 WeakPolarHBondContact CA-O 3.47Å; G110-L166 PolarHBondContact O-N 2.95Å
111S94.3Very high91.4Very high2 Ų231 Ų311%0.01416%0.162CC..BIsolated β-bridgetrans-132.4169.9-179.364.30000110.9K113 Y114 P115 N160 S164S111-K113 PolarHBondContact O-N 2.9Å; S111-Y114 PolarHBondContact N-O 2.85Å; S111-Y114 CarbonylContact O-C 3.53Å; S111-Y114 PolarHBondContact O-N 2.98Å; S111-Y114 VanDerWaalsContact O-O 3.12Å; S111-Y114 PolarHBondContact OG-N 3.28Å; S111-Y114 VanDerWaalsContact OG-N 3.07Å; S111-P115 WeakPolarHBondContact O-CA 3.37Å; S111-P115 VanDerWaalsContact O-N 3.12Å; S111-N160 WeakPolarHBondContact OG-CB 3.42Å; S111-S164 CarbonylContact C-O 3.56Å; S111-S164 WeakPolarHBondContact CA-O 3.5Å; S111-S164 WeakPolarHBondContact CB-O 3.45Å
112L94.4Very high90.7Very high130 Ų13031.2 Ų31.268%0.68117%0.167SC*.SBendtrans-58.6-37.3178.1-173.564.7000112.3S164L112-S164 WeakPolarHBondContact CB-OG 3.37Å; L112-S164 PolarHBondContact N-O 3.33Å
113K94.7Very high90.2Very high86 Ų8633.2 Ų33.237%0.37418%0.175SC..SBendtrans-78.7-34.1178.5-170.4174.7175.5-176.30112.8S111 D156 N160S111-K113 PolarHBondContact O-N 2.9Å; K113-D156 WeakPolarHBondContact CE-OD2 3.21Å; K113-D156 IonicContact NZ-OD1 3.18Å; K113-D156 PolarHBondContact NZ-OD1 3.05Å; K113-D156 IonicContact NZ-OD2 2.91Å; K113-D156 PolarHBondContact NZ-OD2 3.28Å; K113-N160 WeakPolarHBondContact CB-OD1 3.35Å
114Y93.5Very high89.8Confident46 Ų4633.2 Ų33.218%0.1818%0.175CC..SBendtrans-125.280.2178.6-55.2-72.8000109.5G110 S111 T116 D156 K157 N160G110-Y114 WeakPolarHBondContact CA-O 3.47Å; S111-Y114 PolarHBondContact N-O 2.85Å; S111-Y114 CarbonylContact O-C 3.53Å; S111-Y114 PolarHBondContact O-N 2.98Å; S111-Y114 VanDerWaalsContact O-O 3.12Å; S111-Y114 PolarHBondContact OG-N 3.28Å; S111-Y114 VanDerWaalsContact OG-N 3.07Å; Y114-T116 VanDerWaalsContact C-N 3.3Å; Y114-T116 PolarHBondContact O-N 3.13Å; Y114-D156 PolarHBondContact OH-OD2 2.62Å; Y114-K157 HydrophobicContact CD1-CG 4.1Å; Y114-K157 HydrophobicContact CD2-CB 4.21Å; Y114-K157 HydrophobicContact CD2-CG 3.79Å; Y114-K157 HydrophobicContact CE1-CG 3.93Å; Y114-K157 HydrophobicContact CE2-CB 4.15Å; Y114-K157 HydrophobicContact CE2-CG 3.62Å; Y114-K157 HydrophobicContact CG-CG 4.01Å; Y114-N160 HydrophobicContact CD2-CB 4.22Å; Y114-N160 HydrophobicContact CE2-CB 4.5Å
115P90.7Very high89.1Confident77 Ų7734 Ų3450%0.518%0.181SC..  trans-78.9-12.6-167.130.7-37.1000114.4S111 E117 L166S111-P115 WeakPolarHBondContact O-CA 3.37Å; S111-P115 VanDerWaalsContact O-N 3.12Å; P115-E117 PolarHBondContact O-N 2.71Å; P115-L166 HydrophobicContact CB-CD1 3.98Å
116T86Confident88.4Confident90 Ų9035.9 Ų35.955%0.55219%0.191SC*.SBendtrans-68.9125.1178.1-56.30000109.7Y114 D119Y114-T116 VanDerWaalsContact C-N 3.3Å; Y114-T116 PolarHBondContact O-N 3.13Å; T116-D119 HydrophobicContact CG2-CB 4.15Å; T116-D119 VanDerWaalsContact O-CB 3.29Å; T116-D119 WeakPolarHBondContact O-CB 3.32Å; T116-D119 PolarHBondContact O-N 3.21Å
117E84.3Confident87.9Confident53 Ų5337.8 Ų37.825%0.24820%0.198CC..THydrogen-bonded Turntrans-60.9141.4174.7-66.3-172.717200110.8P115 D119 S171 R174P115-E117 PolarHBondContact O-N 2.71Å; E117-D119 PolarHBondContact O-N 3.08Å; E117-S171 PolarHBondContact OE1-OG 3.04Å; E117-R174 IonicContact OE1-NH2 2.76Å; E117-R174 PolarHBondContact OE1-NH2 3.1Å; E117-R174 IonicContact OE2-CZ 3.62Å; E117-R174 VanDerWaalsContact OE2-CZ 3.28Å; E117-R174 IonicContact OE2-NH1 3.94Å; E117-R174 PolarHBondContact OE2-NH1 3.36Å; E117-R174 IonicContact OE2-NH2 3.87Å; E117-R174 PolarHBondContact OE2-NH2 3.44Å
118N78.3Confident87Confident9 Ų938.4 Ų38.45%0.04820%0.204CC..THydrogen-bonded Turntrans61.312.5176.2-14523.7000114.5F120 D121 A122 D861 T865N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 3.3Å; N118-D121 PolarHBondContact O-N 3Å; N118-D121 VanDerWaalsContact OD1-CB 3.28Å; N118-D121 WeakPolarHBondContact OD1-CB 3.3Å; N118-D121 VanDerWaalsContact OD1-CG 3.27Å; N118-D121 PolarHBondContact OD1-OD2 3.45Å; N118-D121 VanDerWaalsContact OD1-OD2 3.14Å; N118-A122 PolarHBondContact O-N 3.24Å; N118-A122 VanDerWaalsContact O-N 3.1Å; N118-D861 PolarHBondContact ND2-OD1 2.65Å; N118-T865 PolarHBondContact ND2-OG1 3.47Å
119D84.6Confident86.8Confident43 Ų4337.8 Ų37.823%0.2320%0.203CC..Hα-helixtrans-62.8-33.1-179.3177.662.7000112.4T116 E117 Y123 K157T116-D119 HydrophobicContact CG2-CB 4.15Å; T116-D119 VanDerWaalsContact O-CB 3.29Å; T116-D119 WeakPolarHBondContact O-CB 3.32Å; T116-D119 PolarHBondContact O-N 3.21Å; E117-D119 PolarHBondContact O-N 3.08Å; D119-Y123 WeakPolarHBondContact O-CB 3.32Å; D119-Y123 PolarHBondContact O-N 2.83Å; D119-K157 IonicContact OD2-NZ 2.83Å; D119-K157 PolarHBondContact OD2-NZ 3.45Å
120F90.5Very high86.7Confident7 Ų740.6 Ų40.63%0.03122%0.221CC..Hα-helixtrans-66-48.3177.9-176-113.5000112F108 N118 Y123 L124 N131 F144 C154 K157 F158 F161F108-F120 HydrophobicContact CD1-CD1 4.39Å; F108-F120 HydrophobicContact CE1-CD1 4.35Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 3.3Å; F120-Y123 PolarHBondContact O-N 3.04Å; F120-L124 HydrophobicContact CD1-CD1 3.74Å; F120-L124 HydrophobicContact CD2-CD1 4.39Å; F120-L124 HydrophobicContact CD2-CG 4.49Å; F120-L124 HydrophobicContact CE1-CD1 3.31Å; F120-L124 HydrophobicContact CE1-CG 4.33Å; F120-L124 HydrophobicContact CE2-CD1 4Å; F120-L124 HydrophobicContact CE2-CG 4.22Å; F120-L124 HydrophobicContact CG-CD1 4.3Å; F120-L124 HydrophobicContact CZ-CD1 3.46Å; F120-L124 VanDerWaalsContact CZ-CD1 3.46Å; F120-L124 HydrophobicContact CZ-CG 4.16Å; F120-L124 WeakPolarHBondContact O-CB 3.32Å; F120-L124 WeakPolarHBondContact O-CG 3.38Å; F120-L124 PolarHBondContact O-N 2.86Å; F120-N131 HydrophobicContact CE1-CB 3.91Å; F120-F144 HydrophobicContact CE1-CB 4.25Å; F120-F144 HydrophobicContact CZ-CB 3.95Å; F120-F144 AromaticContact CZ-CD1 3.81Å; F120-F144 HydrophobicContact CZ-CD1 3.81Å; F120-F144 HydrophobicContact CZ-CD2 4.37Å; F120-F144 HydrophobicContact CZ-CE1 4.4Å; F120-F144 AromaticContact CZ-CG 3.78Å; F120-F144 HydrophobicContact CZ-CG 3.78Å; F120-C154 HydrophobicContact CE2-CB 4.44Å; F120-C154 WeakPolarHBondContact CE2-O 3.29Å; F120-K157 HydrophobicContact CD2-CB 3.66Å; F120-K157 HydrophobicContact CD2-CD 4.34Å; F120-K157 HydrophobicContact CE2-CB 4.11Å; F120-F158 HydrophobicContact CE1-CD2 4.4Å; F120-F158 HydrophobicContact CE2-CB 3.99Å; F120-F158 HydrophobicContact CZ-CB 3.99Å; F120-F158 HydrophobicContact CZ-CD2 4.02Å; F120-F158 HydrophobicContact CZ-CG 4.46Å; F120-F161 HydrophobicContact CB-CE1 4.13Å; F120-F161 HydrophobicContact CB-CZ 3.76Å; F120-F161 AromaticContact CD1-CE2 3.99Å; F120-F161 HydrophobicContact CD1-CE2 3.99Å; F120-F161 AromaticContact CD1-CZ 3.46Å; F120-F161 HydrophobicContact CD1-CZ 3.46Å; F120-F161 VanDerWaalsContact CD1-CZ 3.46Å; F120-F161 HydrophobicContact CD2-CZ 4.25Å; F120-F161 HydrophobicContact CE1-CE2 4.13Å; F120-F161 HydrophobicContact CE1-CZ 4.01Å; F120-F161 HydrophobicContact CG-CE1 4.21Å; F120-F161 HydrophobicContact CG-CE2 4.46Å; F120-F161 AromaticContact CG-CZ 3.56Å; F120-F161 HydrophobicContact CG-CZ 3.56Å
121D86Confident86.9Confident30 Ų3042 Ų4216%0.1623%0.227CC..Hα-helixtrans-61.3-48.4177.9-64.1-92.1000112N118 Y123 L124 S125 N131N118-D121 PolarHBondContact O-N 3Å; N118-D121 VanDerWaalsContact OD1-CB 3.28Å; N118-D121 WeakPolarHBondContact OD1-CB 3.3Å; N118-D121 VanDerWaalsContact OD1-CG 3.27Å; N118-D121 PolarHBondContact OD1-OD2 3.45Å; N118-D121 VanDerWaalsContact OD1-OD2 3.14Å; D121-Y123 VanDerWaalsContact C-N 3.33Å; D121-Y123 PolarHBondContact O-N 2.95Å; D121-L124 PolarHBondContact O-N 3.34Å; D121-S125 WeakPolarHBondContact O-CB 3.41Å; D121-S125 PolarHBondContact O-N 3.19Å; D121-N131 PolarHBondContact OD1-ND2 2.87Å
122A82.2Confident86.9Confident20 Ų2046.3 Ų46.317%0.16525%0.25CS..Hα-helixtrans-59.8-44.1175.200000111.7N118 Q126N118-A122 PolarHBondContact O-N 3.24Å; N118-A122 VanDerWaalsContact O-N 3.1Å; A122-Q126 VanDerWaalsContact O-CG 3.25Å; A122-Q126 WeakPolarHBondContact O-CG 3.41Å; A122-Q126 PolarHBondContact O-N 2.74Å
123Y86.9Confident87Confident41 Ų4140.7 Ų40.716%0.16122%0.222CC..Hα-helixtrans-63.7-42.7179.7-170.5-88.5000112.2D119 F120 D121 R127 S153 C154 K157D119-Y123 WeakPolarHBondContact O-CB 3.32Å; D119-Y123 PolarHBondContact O-N 2.83Å; F120-Y123 PolarHBondContact O-N 3.04Å; D121-Y123 VanDerWaalsContact C-N 3.33Å; D121-Y123 PolarHBondContact O-N 2.95Å; Y123-R127 VanDerWaalsContact CD2-NH1 3.25Å; Y123-R127 VanDerWaalsContact CZ-CZ 3.42Å; Y123-R127 VanDerWaalsContact CZ-NE 3.34Å; Y123-R127 VanDerWaalsContact O-CD 3.31Å; Y123-R127 WeakPolarHBondContact O-CD 3.49Å; Y123-R127 WeakPolarHBondContact O-CG 3.29Å; Y123-R127 PolarHBondContact O-NH1 3.13Å; Y123-S153 VanDerWaalsContact OH-CB 3.26Å; Y123-S153 WeakPolarHBondContact OH-CB 3.4Å; Y123-C154 VanDerWaalsContact CD1-SG 3.52Å; Y123-C154 WeakPolarHBondContact CE1-SG 3.44Å; Y123-K157 HydrophobicContact CD1-CD 4.14Å; Y123-K157 HydrophobicContact CD2-CD 4.46Å; Y123-K157 HydrophobicContact CG-CD 4.08Å
124L88.7Confident87Confident1 Ų141.9 Ų41.91%0.00522%0.224CC..Hα-helixtrans-67.4-49.9177.9-78.9175.2000112.2F120 D121 Q126 R127 G128 G129 N131 F144 V146 C154F120-L124 HydrophobicContact CD1-CD1 3.74Å; F120-L124 HydrophobicContact CD2-CD1 4.39Å; F120-L124 HydrophobicContact CD2-CG 4.49Å; F120-L124 HydrophobicContact CE1-CD1 3.31Å; F120-L124 HydrophobicContact CE1-CG 4.33Å; F120-L124 HydrophobicContact CE2-CD1 4Å; F120-L124 HydrophobicContact CE2-CG 4.22Å; F120-L124 HydrophobicContact CG-CD1 4.3Å; F120-L124 HydrophobicContact CZ-CD1 3.46Å; F120-L124 VanDerWaalsContact CZ-CD1 3.46Å; F120-L124 HydrophobicContact CZ-CG 4.16Å; F120-L124 WeakPolarHBondContact O-CB 3.32Å; F120-L124 WeakPolarHBondContact O-CG 3.38Å; F120-L124 PolarHBondContact O-N 2.86Å; D121-L124 PolarHBondContact O-N 3.34Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 2.72Å; L124-R127 CarbonylContact O-C 3.05Å; L124-R127 WeakPolarHBondContact O-CA 3.5Å; L124-R127 PolarHBondContact O-N 2.95Å; L124-G128 PolarHBondContact O-N 3.4Å; L124-G128 VanDerWaalsContact O-N 3.15Å; L124-G129 PolarHBondContact O-N 3.34Å; L124-N131 HydrophobicContact CD1-CB 3.68Å; L124-F144 HydrophobicContact CD1-CB 3.99Å; L124-F144 HydrophobicContact CD2-CD2 3.85Å; L124-V146 HydrophobicContact CD2-CB 3.74Å; L124-V146 HydrophobicContact CD2-CG1 4.5Å; L124-V146 HydrophobicContact CD2-CG2 3.95Å; L124-C154 HydrophobicContact CD2-CB 4.16Å; L124-C154 VanDerWaalsContact CD2-SG 3.55Å
125S80.3Confident87.2Confident28 Ų2841 Ų4120%0.19622%0.224CC..Hα-helixtrans-61.2-42.6-174.9-175.10000112D121 R127 G128 E857D121-S125 WeakPolarHBondContact O-CB 3.41Å; D121-S125 PolarHBondContact O-N 3.19Å; S125-R127 PolarHBondContact O-N 3.03Å; S125-G128 PolarHBondContact O-N 3.27Å; S125-G128 VanDerWaalsContact O-N 3.12Å; S125-E857 WeakPolarHBondContact OG-CB 3.38Å
126Q78.5Confident87.4Confident55 Ų5538.1 Ų38.126%0.25721%0.208SC..THydrogen-bonded Turntrans-60.7-17.9175.9-70.2172.915.800113.4A122 L124 S936A122-Q126 VanDerWaalsContact O-CG 3.25Å; A122-Q126 WeakPolarHBondContact O-CG 3.41Å; A122-Q126 PolarHBondContact O-N 2.74Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 2.72Å; Q126-S936 PolarHBondContact O-OG 2.82Å
127R84.9Confident87.8Confident39 Ų3934.9 Ų34.915%0.14719%0.187CC..THydrogen-bonded Turntrans-113.412-175.9-67.6171.8175.174.74.3112.6Y123 L124 S125 G129 V146 K147 H150 T932Y123-R127 VanDerWaalsContact CD2-NH1 3.25Å; Y123-R127 VanDerWaalsContact CZ-CZ 3.42Å; Y123-R127 VanDerWaalsContact CZ-NE 3.34Å; Y123-R127 VanDerWaalsContact O-CD 3.31Å; Y123-R127 WeakPolarHBondContact O-CD 3.49Å; Y123-R127 WeakPolarHBondContact O-CG 3.29Å; Y123-R127 PolarHBondContact O-NH1 3.13Å; L124-R127 CarbonylContact O-C 3.05Å; L124-R127 WeakPolarHBondContact O-CA 3.5Å; L124-R127 PolarHBondContact O-N 2.95Å; S125-R127 PolarHBondContact O-N 3.03Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 3.39Å; R127-V146 HydrophobicContact CB-CG2 4.05Å; R127-K147 VanDerWaalsContact O-CD 3.3Å; R127-K147 WeakPolarHBondContact O-CD 3.22Å; R127-K147 VanDerWaalsContact O-CE 3.28Å; R127-K147 WeakPolarHBondContact O-CE 3.33Å; R127-H150 WeakPolarHBondContact CD-ND1 3.34Å; R127-H150 PolarHBondContact NE-ND1 2.88Å; R127-T932 HydrophobicContact CG-CG2 4.44Å
128G76.9Confident88.3Confident13 Ų1332.9 Ų32.913%0.13418%0.178CC..THydrogen-bonded Turntrans68.625.417800000114K78 L124 S125K78-G128 PolarHBondContact NZ-O 2.67Å; L124-G128 PolarHBondContact O-N 3.4Å; L124-G128 VanDerWaalsContact O-N 3.15Å; S125-G128 PolarHBondContact O-N 3.27Å; S125-G128 VanDerWaalsContact O-N 3.12Å
129G86.3Confident89.1Confident7 Ų733.2 Ų33.27%0.07218%0.178CC..  trans-97.9159.6172.400000112.6L124 R127 D145L124-G129 PolarHBondContact O-N 3.34Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 3.39Å; G129-D145 CarbonylContact C-O 3.49Å; G129-D145 WeakPolarHBondContact CA-O 3.27Å; G129-D145 WeakPolarHBondContact CA-OD1 3.34Å
130T88.9Confident89.7Confident69 Ų6931.2 Ų31.242%0.42317%0.168SC..EExtended strand (participates in β ladder)trans-128.2161.2172.948.10000110.5F144 D145T130-F144 CarbonylContact O-C 3.13Å; T130-F144 WeakPolarHBondContact O-CA 3.49Å; T130-F144 WeakPolarHBondContact O-CB 3.36Å; T130-D145 PolarHBondContact N-O 3.43Å; T130-D145 VanDerWaalsContact N-O 3.12Å; T130-D145 PolarHBondContact N-OD1 2.9Å; T130-D145 PolarHBondContact O-N 3.28Å; T130-D145 PolarHBondContact OG1-OD1 3.36Å
131N93.8Very high90.1Very high36 Ų3631 Ų3119%0.19317%0.167CC..EExtended strand (participates in β ladder)trans-144.4161173.275.183.1000110.8F108 F120 D121 L124 H143 F144F108-N131 VanDerWaalsContact CE1-OD1 3.24Å; F108-N131 WeakPolarHBondContact CE1-OD1 3.23Å; F120-N131 HydrophobicContact CE1-CB 3.91Å; D121-N131 PolarHBondContact OD1-ND2 2.87Å; L124-N131 HydrophobicContact CD1-CB 3.68Å; N131-H143 VanDerWaalsContact CA-O 3.29Å; N131-H143 WeakPolarHBondContact CA-O 3.44Å; N131-H143 WeakPolarHBondContact CB-O 3.42Å; N131-F144 HydrophobicContact CB-CB 3.73Å
132N93.6Very high90.7Very high93 Ų9329.5 Ų29.550%0.49716%0.159SC..EExtended strand (participates in β ladder)trans-161.4172.9168.8-152.7-3.4000111H143N132-H143 WeakPolarHBondContact CB-NE2 3.12Å; N132-H143 PolarHBondContact N-O 3.1Å; N132-H143 PolarHBondContact O-CD2 3.4Å; N132-H143 PolarHBondContact O-N 3.49Å
133A96.4Very high91.4Very high11 Ų1129.3 Ų29.39%0.09116%0.155CC..EExtended strand (participates in β ladder)trans-151.9165.8172.900000111.5E104 F108 L141 F142E104-A133 HydrophobicContact CG-CB 3.66Å; E104-A133 WeakPolarHBondContact OE1-CB 3.43Å; F108-A133 HydrophobicContact CE2-CB 3.99Å; F108-A133 HydrophobicContact CZ-CB 4.06Å; A133-L141 CarbonylContact C-O 3.6Å; A133-L141 WeakPolarHBondContact CA-O 3.48Å; A133-L141 VanDerWaalsContact CB-O 3.28Å; A133-L141 WeakPolarHBondContact CB-O 3.32Å; A133-F142 HydrophobicContact CB-CB 4.44Å; A133-F142 HydrophobicContact CB-CD1 3.59Å; A133-F142 HydrophobicContact CB-CE1 4.05Å; A133-F142 HydrophobicContact CB-CG 4.14Å
134W96.2Very high91.9Very high111 Ų11127.3 Ų27.342%0.4215%0.147SC..EExtended strand (participates in β ladder)trans-154.3155.7166.860.988.3000112.1T140 L141 H143 V466W134-T140 WeakPolarHBondContact O-CA 3.31Å; W134-L141 HydrophobicContact CD2-CB 4.39Å; W134-L141 HydrophobicContact CH2-CD1 4.38Å; W134-L141 HydrophobicContact CH2-CD2 3.65Å; W134-L141 HydrophobicContact CH2-CG 4.44Å; W134-L141 HydrophobicContact CZ2-CB 4.03Å; W134-L141 HydrophobicContact CZ2-CD1 3.84Å; W134-L141 HydrophobicContact CZ2-CD2 3.81Å; W134-L141 HydrophobicContact CZ2-CG 4.1Å; W134-L141 HydrophobicContact CZ3-CD2 4.05Å; W134-L141 PolarHBondContact N-O 3.06Å; W134-L141 PolarHBondContact O-N 3.24Å; W134-H143 AromaticContact CZ3-CD2 3.59Å; W134-H143 AromaticContact CZ3-NE2 3.31Å; W134-H143 VanDerWaalsContact CZ3-NE2 3.31Å; W134-H143 WeakPolarHBondContact CZ3-NE2 3Å; W134-V466 HydrophobicContact CH2-CG1 3.51Å; W134-V466 HydrophobicContact CH2-CG2 4.4Å; W134-V466 HydrophobicContact CZ2-CG1 4.05Å
135T97Very high92.2Very high29 Ų2927.8 Ų27.818%0.17815%0.15CC..EExtended strand (participates in β ladder)trans-114.3118.7174.1-620000111.2H101 E104 T140H101-T135 HydrophobicContact CB-CG2 4.32Å; E104-T135 WeakPolarHBondContact CB-OG1 3.42Å; E104-T135 PolarHBondContact OE2-OG1 2.96Å; T135-T140 WeakPolarHBondContact OG1-CG2 3.34Å; T135-T140 PolarHBondContact OG1-OG1 2.99Å
136G94.9Very high92.8Very high15 Ų1526.5 Ų26.516%0.15514%0.14CC..  trans-91.4-159.5170.300000112.9S89 Y139S89-G136 PolarHBondContact N-O 3.04Å; S89-G136 PolarHBondContact OG-O 2.78Å; S89-G136 VanDerWaalsContact OG-O 3.05Å; G136-Y139 WeakPolarHBondContact CA-O 3.2Å; G136-Y139 PolarHBondContact N-O 3.3Å
137N94.7Very high93.1Very high22 Ų2223.9 Ų23.912%0.11813%0.128CC..SBendtrans-75.2-45.4174.9-72.4-18.1000112.8G88 S89 F90 D362 F363G88-N137 CarbonylContact C-O 3.47Å; G88-N137 WeakPolarHBondContact CA-O 3.39Å; S89-N137 PolarHBondContact N-O 3.2Å; S89-N137 VanDerWaalsContact N-O 3.15Å; S89-N137 WeakPolarHBondContact OG-CA 3.38Å; S89-N137 PolarHBondContact OG-OD1 3.42Å; F90-N137 VanDerWaalsContact CB-O 3.22Å; F90-N137 WeakPolarHBondContact CB-O 3.25Å; F90-N137 HydrophobicContact CD1-CB 3.69Å; F90-N137 HydrophobicContact CD2-CB 3.9Å; F90-N137 HydrophobicContact CE1-CB 3.55Å; F90-N137 WeakPolarHBondContact CE1-OD1 3.17Å; F90-N137 HydrophobicContact CE2-CB 3.76Å; F90-N137 HydrophobicContact CG-CB 3.88Å; F90-N137 WeakPolarHBondContact CG-O 3.43Å; F90-N137 HydrophobicContact CZ-CB 3.59Å; F90-N137 VanDerWaalsContact CZ-CG 3.46Å; F90-N137 VanDerWaalsContact CZ-ND2 3.3Å; F90-N137 WeakPolarHBondContact CZ-ND2 3.15Å; F90-N137 PolarHBondContact N-O 3.41Å; N137-D362 HydrophobicContact CB-CB 4.25Å; N137-D362 PolarHBondContact N-OD1 3.39Å; N137-D362 PolarHBondContact N-OD2 2.96Å; N137-D362 PolarHBondContact ND2-O 2.88Å; N137-F363 VanDerWaalsContact ND2-CA 3.29Å; N137-F363 WeakPolarHBondContact ND2-CA 3.41Å
138E94Very high93.2Very high11 Ų1122.9 Ų22.95%0.05112%0.124CC..SBendtrans-115.2-15.2-173-61.3-172.7147.600112.8K86 V87 G88 F90 L281 D362 S367K86-E138 CarbonylContact C-O 3.59Å; K86-E138 VanDerWaalsContact C-O 3.3Å; V87-E138 CarbonylContact C-O 3.59Å; V87-E138 VanDerWaalsContact CA-O 3.31Å; V87-E138 WeakPolarHBondContact CA-O 3.39Å; V87-E138 PolarHBondContact N-O 3.35Å; G88-E138 PolarHBondContact N-O 2.84Å; F90-E138 HydrophobicContact CD2-CG 3.89Å; F90-E138 HydrophobicContact CE2-CG 4.37Å; E138-L281 HydrophobicContact CG-CD1 4.13Å; E138-L281 WeakPolarHBondContact OE1-CD1 3.47Å; E138-D362 HydrophobicContact CB-CB 4.14Å; E138-D362 HydrophobicContact CG-CB 4.33Å; E138-D362 PolarHBondContact N-OD2 3.05Å; E138-S367 VanDerWaalsContact OE1-CB 3.24Å; E138-S367 WeakPolarHBondContact OE1-CB 3.04Å; E138-S367 PolarHBondContact OE1-N 3.49Å; E138-S367 VanDerWaalsContact OE1-N 3.1Å; E138-S367 PolarHBondContact OE1-OG 2.71Å; E138-S367 PolarHBondContact OE2-N 3.05Å; E138-S367 VanDerWaalsContact OE2-N 3.12Å
139Y95.2Very high93.6Very high16 Ų1626.7 Ų26.76%0.06314%0.137CC..  trans-132.9146.7-174.6-56.3-84000113.4I85 K86 V87 G136 D362 H473 L474I85-Y139 VanDerWaalsContact O-CA 3.31Å; I85-Y139 WeakPolarHBondContact O-CA 3.3Å; K86-Y139 HydrophobicContact CB-CD1 4.27Å; K86-Y139 HydrophobicContact CB-CE1 4.1Å; K86-Y139 HydrophobicContact CD-CE1 4.21Å; K86-Y139 HydrophobicContact CG-CD1 4.25Å; K86-Y139 HydrophobicContact CG-CE1 3.74Å; V87-Y139 CarbonylContact O-C 3.5Å; V87-Y139 WeakPolarHBondContact O-CA 3.44Å; G136-Y139 WeakPolarHBondContact CA-O 3.2Å; G136-Y139 PolarHBondContact N-O 3.3Å; Y139-D362 HydrophobicContact CD2-CB 4Å; Y139-D362 HydrophobicContact CE2-CB 4.3Å; Y139-D362 PolarHBondContact N-OD2 3.35Å; Y139-D362 VanDerWaalsContact N-OD2 3.13Å; Y139-H473 HydrophobicContact CD1-CB 4.42Å; Y139-H473 AromaticContact CD1-CD2 3.9Å; Y139-H473 HydrophobicContact CE1-CB 3.54Å; Y139-H473 AromaticContact CE1-CD2 3.79Å; Y139-H473 AromaticContact CE1-CG 3.65Å; Y139-L474 HydrophobicContact CE2-CD2 4.38Å
140T97.6Very high93.8Very high1 Ų127.6 Ų27.61%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-123.4126.6166.4-61.50000108I85 V87 E104 W134 T135 F142I85-T140 PolarHBondContact N-O 3.2Å; I85-T140 PolarHBondContact O-N 2.97Å; V87-T140 PolarHBondContact O-N 3.08Å; V87-T140 PolarHBondContact O-OG1 2.72Å; V87-T140 VanDerWaalsContact O-OG1 3.13Å; E104-T140 HydrophobicContact CB-CG2 3.96Å; E104-T140 HydrophobicContact CG-CG2 3.92Å; W134-T140 WeakPolarHBondContact O-CA 3.31Å; T135-T140 WeakPolarHBondContact OG1-CG2 3.34Å; T135-T140 PolarHBondContact OG1-OG1 2.99Å; T140-F142 HydrophobicContact CG2-CD2 4.24Å; T140-F142 HydrophobicContact CG2-CE2 3.41Å; T140-F142 VanDerWaalsContact CG2-CE2 3.41Å; T140-F142 HydrophobicContact CG2-CZ 3.66Å
141L98Very high94Very high2 Ų224.3 Ų24.31%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-120.3133.8-175.9-168.7151.8000110.4A82 C84 A133 W134 H143 V466 N470A82-L141 HydrophobicContact CB-CD2 4.45Å; C84-L141 HydrophobicContact CB-CB 4.43Å; C84-L141 HydrophobicContact CB-CD1 4.01Å; C84-L141 HydrophobicContact CB-CG 4.14Å; A133-L141 CarbonylContact C-O 3.6Å; A133-L141 WeakPolarHBondContact CA-O 3.48Å; A133-L141 VanDerWaalsContact CB-O 3.28Å; A133-L141 WeakPolarHBondContact CB-O 3.32Å; W134-L141 HydrophobicContact CD2-CB 4.39Å; W134-L141 HydrophobicContact CH2-CD1 4.38Å; W134-L141 HydrophobicContact CH2-CD2 3.65Å; W134-L141 HydrophobicContact CH2-CG 4.44Å; W134-L141 HydrophobicContact CZ2-CB 4.03Å; W134-L141 HydrophobicContact CZ2-CD1 3.84Å; W134-L141 HydrophobicContact CZ2-CD2 3.81Å; W134-L141 HydrophobicContact CZ2-CG 4.1Å; W134-L141 HydrophobicContact CZ3-CD2 4.05Å; W134-L141 PolarHBondContact N-O 3.06Å; W134-L141 PolarHBondContact O-N 3.24Å; L141-H143 HydrophobicContact CD2-CB 4.2Å; L141-V466 HydrophobicContact CD1-CG1 4.35Å; L141-V466 HydrophobicContact CD2-CG1 4.39Å; L141-V466 HydrophobicContact CD2-CG2 4.13Å; L141-N470 HydrophobicContact CD1-CB 4.1Å
142F98.4Very high94Very high0 Ų023.4 Ų23.40%012%0.117CC..EExtended strand (participates in β ladder)trans-121141.4174.4-57.1-99.2000109.4A82 L83 I85 E104 V107 F108 A133 T140 F158 F162 Y242A82-F142 CarbonylContact C-O 3.53Å; A82-F142 WeakPolarHBondContact CA-O 3.1Å; L83-F142 PolarHBondContact N-O 2.87Å; L83-F142 PolarHBondContact O-N 2.97Å; I85-F142 HydrophobicContact CD1-CE2 3.91Å; E104-F142 HydrophobicContact CB-CE1 4.17Å; E104-F142 HydrophobicContact CB-CZ 3.97Å; E104-F142 HydrophobicContact CG-CD1 4.36Å; E104-F142 HydrophobicContact CG-CE1 3.52Å; E104-F142 HydrophobicContact CG-CZ 3.68Å; V107-F142 HydrophobicContact CG2-CD1 4.33Å; V107-F142 HydrophobicContact CG2-CE1 3.4Å; V107-F142 HydrophobicContact CG2-CZ 3.79Å; F108-F142 AromaticContact CE2-CD1 3.75Å; F108-F142 HydrophobicContact CE2-CD1 3.75Å; F108-F142 AromaticContact CE2-CE1 3.84Å; F108-F142 HydrophobicContact CE2-CE1 3.84Å; F108-F142 AromaticContact CZ-CD1 3.94Å; F108-F142 HydrophobicContact CZ-CD1 3.94Å; F108-F142 HydrophobicContact CZ-CE1 4.49Å; A133-F142 HydrophobicContact CB-CB 4.44Å; A133-F142 HydrophobicContact CB-CD1 3.59Å; A133-F142 HydrophobicContact CB-CE1 4.05Å; A133-F142 HydrophobicContact CB-CG 4.14Å; T140-F142 HydrophobicContact CG2-CD2 4.24Å; T140-F142 HydrophobicContact CG2-CE2 3.41Å; T140-F142 VanDerWaalsContact CG2-CE2 3.41Å; T140-F142 HydrophobicContact CG2-CZ 3.66Å; F142-F158 HydrophobicContact CB-CE2 3.64Å; F142-F158 HydrophobicContact CB-CZ 3.74Å; F142-F162 HydrophobicContact CB-CZ 4.05Å; F142-F162 HydrophobicContact CD1-CZ 4.46Å; F142-F162 AromaticContact CD2-CE1 3.58Å; F142-F162 HydrophobicContact CD2-CE1 3.58Å; F142-F162 AromaticContact CD2-CZ 3.72Å; F142-F162 HydrophobicContact CD2-CZ 3.72Å; F142-F162 AromaticContact CE2-CE1 3.7Å; F142-F162 HydrophobicContact CE2-CE1 3.7Å; F142-F162 HydrophobicContact CE2-CZ 4.3Å; F142-F162 HydrophobicContact CG-CE1 4.07Å; F142-F162 AromaticContact CG-CZ 3.83Å; F142-F162 HydrophobicContact CG-CZ 3.83Å; F142-F162 HydrophobicContact CZ-CE1 4.27Å; F142-Y242 HydrophobicContact CZ-CE2 4.43Å
143H98.2Very high93.9Very high15 Ų1521 Ų217%0.06911%0.107CC..EExtended strand (participates in β ladder)trans-150.9158.6176.56492.3000113A81 A82 N131 N132 W134 L141 E462 V466A81-H143 CarbonylContact O-C 3.57Å; A81-H143 VanDerWaalsContact O-CA 3.24Å; A81-H143 WeakPolarHBondContact O-CA 3.43Å; A82-H143 HydrophobicContact CB-CB 3.71Å; N131-H143 VanDerWaalsContact CA-O 3.29Å; N131-H143 WeakPolarHBondContact CA-O 3.44Å; N131-H143 WeakPolarHBondContact CB-O 3.42Å; N132-H143 WeakPolarHBondContact CB-NE2 3.12Å; N132-H143 PolarHBondContact N-O 3.1Å; N132-H143 PolarHBondContact O-CD2 3.4Å; N132-H143 PolarHBondContact O-N 3.49Å; W134-H143 AromaticContact CZ3-CD2 3.59Å; W134-H143 AromaticContact CZ3-NE2 3.31Å; W134-H143 VanDerWaalsContact CZ3-NE2 3.31Å; W134-H143 WeakPolarHBondContact CZ3-NE2 3Å; L141-H143 HydrophobicContact CD2-CB 4.2Å; H143-E462 IonicContact CE1-OE1 3.96Å; H143-E462 PolarHBondContact CE1-OE1 2.97Å; H143-E462 WeakPolarHBondContact ND1-CG 3.24Å; H143-E462 IonicContact ND1-OE1 2.75Å; H143-E462 PolarHBondContact ND1-OE1 3.4Å; H143-V466 HydrophobicContact CB-CG2 3.69Å; H143-V466 VanDerWaalsContact CG-CG2 3.47Å
144F97.6Very high93.9Very high0 Ų020.4 Ų20.40%010%0.103CC..EExtended strand (participates in β ladder)trans-149.7158.3170.175.1-86.4000111.4A80 A81 F120 L124 T130 N131 V146 F151 C154 L155 F158A80-F144 CarbonylContact C-O 3.53Å; A80-F144 VanDerWaalsContact CA-O 3.22Å; A80-F144 WeakPolarHBondContact CA-O 3.46Å; A80-F144 WeakPolarHBondContact CB-O 3.2Å; A81-F144 HydrophobicContact CB-CD1 4.31Å; A81-F144 HydrophobicContact CB-CE1 3.68Å; A81-F144 HydrophobicContact CB-CZ 4.05Å; A81-F144 PolarHBondContact N-O 3.18Å; A81-F144 PolarHBondContact O-N 2.95Å; F120-F144 HydrophobicContact CE1-CB 4.25Å; F120-F144 HydrophobicContact CZ-CB 3.95Å; F120-F144 AromaticContact CZ-CD1 3.81Å; F120-F144 HydrophobicContact CZ-CD1 3.81Å; F120-F144 HydrophobicContact CZ-CD2 4.37Å; F120-F144 HydrophobicContact CZ-CE1 4.4Å; F120-F144 AromaticContact CZ-CG 3.78Å; F120-F144 HydrophobicContact CZ-CG 3.78Å; L124-F144 HydrophobicContact CD1-CB 3.99Å; L124-F144 HydrophobicContact CD2-CD2 3.85Å; T130-F144 CarbonylContact O-C 3.13Å; T130-F144 WeakPolarHBondContact O-CA 3.49Å; T130-F144 WeakPolarHBondContact O-CB 3.36Å; N131-F144 HydrophobicContact CB-CB 3.73Å; F144-V146 HydrophobicContact CD2-CB 4.44Å; F144-V146 HydrophobicContact CD2-CG1 4.23Å; F144-V146 HydrophobicContact CE2-CB 4.48Å; F144-V146 HydrophobicContact CE2-CG1 3.8Å; F144-F151 HydrophobicContact CE2-CD2 4.04Å; F144-F151 AromaticContact CE2-CE2 3.97Å; F144-F151 HydrophobicContact CE2-CE2 3.97Å; F144-F151 HydrophobicContact CZ-CD2 4.26Å; F144-F151 AromaticContact CZ-CE2 3.87Å; F144-F151 HydrophobicContact CZ-CE2 3.87Å; F144-C154 HydrophobicContact CD2-CB 4.27Å; F144-C154 HydrophobicContact CE2-CB 3.54Å; F144-C154 HydrophobicContact CZ-CB 3.94Å; F144-L155 HydrophobicContact CE1-CD1 4.11Å; F144-L155 HydrophobicContact CZ-CB 4.28Å; F144-L155 HydrophobicContact CZ-CD1 4.03Å; F144-F158 HydrophobicContact CD1-CB 4.02Å; F144-F158 HydrophobicContact CD1-CD1 4.18Å; F144-F158 AromaticContact CD1-CD2 3.69Å; F144-F158 HydrophobicContact CD1-CD2 3.69Å; F144-F158 HydrophobicContact CD1-CE2 4.11Å; F144-F158 AromaticContact CD1-CG 3.71Å; F144-F158 HydrophobicContact CD1-CG 3.71Å; F144-F158 HydrophobicContact CE1-CB 3.58Å; F144-F158 AromaticContact CE1-CD1 3.78Å; F144-F158 HydrophobicContact CE1-CD1 3.78Å; F144-F158 HydrophobicContact CE1-CD2 4.03Å; F144-F158 HydrophobicContact CE1-CE1 4.44Å; F144-F158 AromaticContact CE1-CG 3.54Å; F144-F158 HydrophobicContact CE1-CG 3.54Å; F144-F158 HydrophobicContact CZ-CB 4.44Å
145D94.9Very high93.9Very high11 Ų1115.1 Ų15.16%0.0598%0.083CC..EExtended strand (participates in β ladder)trans-121.1153.2163.382.921.9000110.8K78 S79 A80 G129 T130 E462K78-D145 HydrophobicContact CD-CB 4.2Å; K78-D145 WeakPolarHBondContact CD-OD2 3.29Å; K78-D145 IonicContact NZ-OD1 3.91Å; K78-D145 PolarHBondContact NZ-OD1 2.68Å; K78-D145 IonicContact NZ-OD2 3.97Å; K78-D145 PolarHBondContact NZ-OD2 2.94Å; S79-D145 CarbonylContact O-C 3.58Å; S79-D145 WeakPolarHBondContact O-CA 3.42Å; A80-D145 HydrophobicContact CB-CB 4.07Å; G129-D145 CarbonylContact C-O 3.49Å; G129-D145 WeakPolarHBondContact CA-O 3.27Å; G129-D145 WeakPolarHBondContact CA-OD1 3.34Å; T130-D145 PolarHBondContact N-O 3.43Å; T130-D145 VanDerWaalsContact N-O 3.12Å; T130-D145 PolarHBondContact N-OD1 2.9Å; T130-D145 PolarHBondContact O-N 3.28Å; T130-D145 PolarHBondContact OG1-OD1 3.36Å; D145-E462 HydrophobicContact CB-CB 4.23Å
146V92.4Very high93.9Very high0 Ų014.2 Ų14.20%08%0.077CC..EExtended strand (participates in β ladder)trans-162.3166.3173.870.30000108.9S79 L124 R127 F144 H150 F151 C154S79-V146 PolarHBondContact N-O 2.67Å; S79-V146 PolarHBondContact O-N 3.01Å; L124-V146 HydrophobicContact CD2-CB 3.74Å; L124-V146 HydrophobicContact CD2-CG1 4.5Å; L124-V146 HydrophobicContact CD2-CG2 3.95Å; R127-V146 HydrophobicContact CB-CG2 4.05Å; F144-V146 HydrophobicContact CD2-CB 4.44Å; F144-V146 HydrophobicContact CD2-CG1 4.23Å; F144-V146 HydrophobicContact CE2-CB 4.48Å; F144-V146 HydrophobicContact CE2-CG1 3.8Å; V146-H150 HydrophobicContact CG2-CB 3.96Å; V146-F151 HydrophobicContact CG1-CB 4.21Å; V146-F151 HydrophobicContact CG1-CD2 3.92Å; V146-C154 HydrophobicContact CG1-CB 4.01Å
147K85.3Confident93.9Very high1 Ų114.4 Ų14.40%0.0047%0.073CC..EExtended strand (participates in β ladder)trans-63.5147.5173.7-68.1170.6-168.9-177.60112.5R127 K149 H150 F151 S936 S939R127-K147 VanDerWaalsContact O-CD 3.3Å; R127-K147 WeakPolarHBondContact O-CD 3.22Å; R127-K147 VanDerWaalsContact O-CE 3.28Å; R127-K147 WeakPolarHBondContact O-CE 3.33Å; K147-K149 PolarHBondContact O-N 2.85Å; K147-K149 VanDerWaalsContact O-N 3.17Å; K147-H150 PolarHBondContact O-N 3.18Å; K147-F151 PolarHBondContact O-N 2.85Å; K147-S936 PolarHBondContact NZ-O 2.91Å; K147-S936 PolarHBondContact NZ-OG 3.25Å; K147-S939 VanDerWaalsContact CD-OG 3.28Å; K147-S939 WeakPolarHBondContact CD-OG 3.31Å; K147-S939 WeakPolarHBondContact CE-OG 3.39Å; K147-S939 PolarHBondContact NZ-OG 3.18Å
148R87.4Confident94Very high18 Ų1813.4 Ų13.47%0.0687%0.068CC..G310 helixtrans-47.1-47.9179.8-169.5-163.684.6125.42112.2P43 D45 S79 H150 F151 K254P43-R148 VanDerWaalsContact CG-CZ 3.45Å; P43-R148 PolarHBondContact O-NH1 2.83Å; P43-R148 PolarHBondContact O-NH2 2.96Å; D45-R148 IonicContact OD2-NH2 2.81Å; D45-R148 PolarHBondContact OD2-NH2 2.85Å; S79-R148 WeakPolarHBondContact OG-CA 3.39Å; R148-H150 PolarHBondContact O-N 2.89Å; R148-H150 VanDerWaalsContact O-N 3.12Å; R148-F151 VanDerWaalsContact O-CB 3.27Å; R148-F151 WeakPolarHBondContact O-CB 3.12Å; R148-F151 PolarHBondContact O-N 2.81Å; R148-F151 VanDerWaalsContact O-N 3.08Å; R148-K254 HydrophobicContact CG-CB 4.45Å
149K85.5Confident94.2Very high92 Ų9212.9 Ų12.940%0.47%0.065SC..G310 helixtrans-59.5-26-175.977.2-177.8-169174.80114.2K147 E935K147-K149 PolarHBondContact O-N 2.85Å; K147-K149 VanDerWaalsContact O-N 3.17Å; K149-E935 IonicContact NZ-OE2 3.14Å; K149-E935 PolarHBondContact NZ-OE2 3.05Å
150H89.5Confident94.2Very high26 Ų2612.5 Ų12.512%0.126%0.064CC..G310 helixtrans-106.9-0.7-178-59-63.1000113.2R127 V146 K147 R148 A152 S153 C154R127-H150 WeakPolarHBondContact CD-ND1 3.34Å; R127-H150 PolarHBondContact NE-ND1 2.88Å; V146-H150 HydrophobicContact CG2-CB 3.96Å; K147-H150 PolarHBondContact O-N 3.18Å; R148-H150 PolarHBondContact O-N 2.89Å; R148-H150 VanDerWaalsContact O-N 3.12Å; H150-A152 PolarHBondContact O-N 3.05Å; H150-S153 PolarHBondContact O-N 2.79Å; H150-C154 PolarHBondContact O-N 2.79Å; H150-C154 VanDerWaalsContact O-N 3.08Å; H150-C154 PolarHBondContact O-SG 2.87Å
151F93.2Very high94.1Very high0 Ų012.7 Ų12.70%07%0.065CC..Hα-helixtrans-61.9-46.8-168.2-177.3-117.5000113S79 A81 F144 V146 K147 R148 S153 C154 L155 V251 L260 L263S79-F151 VanDerWaalsContact CB-CG 3.4Å; A81-F151 HydrophobicContact CB-CE2 4.27Å; A81-F151 HydrophobicContact CB-CZ 4.24Å; F144-F151 HydrophobicContact CE2-CD2 4.04Å; F144-F151 AromaticContact CE2-CE2 3.97Å; F144-F151 HydrophobicContact CE2-CE2 3.97Å; F144-F151 HydrophobicContact CZ-CD2 4.26Å; F144-F151 AromaticContact CZ-CE2 3.87Å; F144-F151 HydrophobicContact CZ-CE2 3.87Å; V146-F151 HydrophobicContact CG1-CB 4.21Å; V146-F151 HydrophobicContact CG1-CD2 3.92Å; K147-F151 PolarHBondContact O-N 2.85Å; R148-F151 VanDerWaalsContact O-CB 3.27Å; R148-F151 WeakPolarHBondContact O-CB 3.12Å; R148-F151 PolarHBondContact O-N 2.81Å; R148-F151 VanDerWaalsContact O-N 3.08Å; F151-S153 PolarHBondContact O-N 3.03Å; F151-C154 PolarHBondContact O-N 3.03Å; F151-L155 HydrophobicContact CE1-CD2 4.05Å; F151-L155 HydrophobicContact CZ-CD1 4.21Å; F151-L155 HydrophobicContact CZ-CD2 4.17Å; F151-L155 VanDerWaalsContact O-CB 3.25Å; F151-L155 WeakPolarHBondContact O-CB 3.38Å; F151-L155 PolarHBondContact O-N 3.08Å; F151-V251 HydrophobicContact CE1-CG1 3.65Å; F151-V251 HydrophobicContact CZ-CG1 3.66Å; F151-L260 HydrophobicContact CE1-CD2 4.37Å; F151-L263 HydrophobicContact CD1-CD2 4.48Å
152A93.6Very high94Very high18 Ų1812.6 Ų12.615%0.1497%0.065CC..Hα-helixtrans-59.7-44.1-179.100000112.4L47 H150 L155 D156 L263L47-A152 HydrophobicContact CD2-CB 4.1Å; H150-A152 PolarHBondContact O-N 3.05Å; A152-L155 PolarHBondContact O-N 2.79Å; A152-D156 PolarHBondContact O-N 2.87Å; A152-D156 VanDerWaalsContact O-N 3.09Å; A152-L263 HydrophobicContact CB-CD1 3.94Å; A152-L263 HydrophobicContact CB-CD2 4.13Å
153S92.7Very high94Very high41 Ų4114.1 Ų14.129%0.2877%0.073SC..Hα-helixtrans-66.3-41.7178.7-51.70000112.3Y123 H150 F151 K157Y123-S153 VanDerWaalsContact OH-CB 3.26Å; Y123-S153 WeakPolarHBondContact OH-CB 3.4Å; H150-S153 PolarHBondContact O-N 2.79Å; F151-S153 PolarHBondContact O-N 3.03Å; S153-K157 PolarHBondContact O-N 3.49Å
154C94.7Very high93.8Very high0 Ų015 Ų150%08%0.08CC..Hα-helixtrans-65.5-40.2174.1-69.10000111.8F120 Y123 L124 F144 V146 H150 F151 D156 K157 F158F120-C154 HydrophobicContact CE2-CB 4.44Å; F120-C154 WeakPolarHBondContact CE2-O 3.29Å; Y123-C154 VanDerWaalsContact CD1-SG 3.52Å; Y123-C154 WeakPolarHBondContact CE1-SG 3.44Å; L124-C154 HydrophobicContact CD2-CB 4.16Å; L124-C154 VanDerWaalsContact CD2-SG 3.55Å; F144-C154 HydrophobicContact CD2-CB 4.27Å; F144-C154 HydrophobicContact CE2-CB 3.54Å; F144-C154 HydrophobicContact CZ-CB 3.94Å; V146-C154 HydrophobicContact CG1-CB 4.01Å; H150-C154 PolarHBondContact O-N 2.79Å; H150-C154 VanDerWaalsContact O-N 3.08Å; H150-C154 PolarHBondContact O-SG 2.87Å; F151-C154 PolarHBondContact O-N 3.03Å; C154-D156 VanDerWaalsContact C-N 3.3Å; C154-D156 PolarHBondContact O-N 2.83Å; C154-K157 PolarHBondContact O-N 3.29Å; C154-F158 WeakPolarHBondContact O-CB 3.33Å; C154-F158 PolarHBondContact O-N 2.74Å
155L96.4Very high93.7Very high0 Ų015.6 Ų15.60%08%0.084CC..Hα-helixtrans-63.3-37.7-179.4-167.764.7000111.8A81 F144 F151 A152 F158 A159 V251 L263 I267 F268A81-L155 HydrophobicContact CB-CD1 3.61Å; F144-L155 HydrophobicContact CE1-CD1 4.11Å; F144-L155 HydrophobicContact CZ-CB 4.28Å; F144-L155 HydrophobicContact CZ-CD1 4.03Å; F151-L155 HydrophobicContact CE1-CD2 4.05Å; F151-L155 HydrophobicContact CZ-CD1 4.21Å; F151-L155 HydrophobicContact CZ-CD2 4.17Å; F151-L155 VanDerWaalsContact O-CB 3.25Å; F151-L155 WeakPolarHBondContact O-CB 3.38Å; F151-L155 PolarHBondContact O-N 3.08Å; A152-L155 PolarHBondContact O-N 2.79Å; L155-F158 PolarHBondContact O-N 3.43Å; L155-A159 WeakPolarHBondContact O-CB 3.46Å; L155-A159 PolarHBondContact O-N 3.03Å; L155-V251 HydrophobicContact CD1-CG2 4.31Å; L155-L263 HydrophobicContact CD2-CD2 3.93Å; L155-L263 HydrophobicContact CD2-CG 4.11Å; L155-I267 HydrophobicContact CB-CD1 4.09Å; L155-I267 HydrophobicContact CD2-CD1 4.06Å; L155-I267 HydrophobicContact CG-CD1 4.1Å; L155-I267 HydrophobicContact CG-CG2 4.48Å; L155-F268 HydrophobicContact CD1-CE2 3.66Å; L155-F268 HydrophobicContact CD1-CZ 3.64Å; L155-F268 HydrophobicContact CD2-CE2 4.03Å; L155-F268 HydrophobicContact CG-CE2 3.66Å; L155-F268 HydrophobicContact CG-CZ 4.06Å
156D96.7Very high93.6Very high9 Ų918.1 Ų18.15%0.04810%0.097CC..Hα-helixtrans-65.1-45.9173.9-173.519.5000111.7K113 Y114 A152 C154 F158 A159 N160 I267K113-D156 WeakPolarHBondContact CE-OD2 3.21Å; K113-D156 IonicContact NZ-OD1 3.18Å; K113-D156 PolarHBondContact NZ-OD1 3.05Å; K113-D156 IonicContact NZ-OD2 2.91Å; K113-D156 PolarHBondContact NZ-OD2 3.28Å; Y114-D156 PolarHBondContact OH-OD2 2.62Å; A152-D156 PolarHBondContact O-N 2.87Å; A152-D156 VanDerWaalsContact O-N 3.09Å; C154-D156 VanDerWaalsContact C-N 3.3Å; C154-D156 PolarHBondContact O-N 2.83Å; D156-F158 PolarHBondContact O-N 3.4Å; D156-A159 PolarHBondContact O-N 2.94Å; D156-N160 PolarHBondContact O-N 2.97Å; D156-N160 PolarHBondContact O-ND2 3.47Å; D156-N160 PolarHBondContact OD1-ND2 2.98Å; D156-I267 HydrophobicContact CB-CD1 4.17Å; D156-I267 HydrophobicContact CB-CG1 4.43Å
157K95.8Very high93.5Very high19 Ų1918.1 Ų18.18%0.08310%0.097CC..Hα-helixtrans-58.2-47.1173.4-70.5177.9179.4-67.70112Y114 D119 F120 Y123 S153 C154 A159 N160Y114-K157 HydrophobicContact CD1-CG 4.1Å; Y114-K157 HydrophobicContact CD2-CB 4.21Å; Y114-K157 HydrophobicContact CD2-CG 3.79Å; Y114-K157 HydrophobicContact CE1-CG 3.93Å; Y114-K157 HydrophobicContact CE2-CB 4.15Å; Y114-K157 HydrophobicContact CE2-CG 3.62Å; Y114-K157 HydrophobicContact CG-CG 4.01Å; D119-K157 IonicContact OD2-NZ 2.83Å; D119-K157 PolarHBondContact OD2-NZ 3.45Å; F120-K157 HydrophobicContact CD2-CB 3.66Å; F120-K157 HydrophobicContact CD2-CD 4.34Å; F120-K157 HydrophobicContact CE2-CB 4.11Å; Y123-K157 HydrophobicContact CD1-CD 4.14Å; Y123-K157 HydrophobicContact CD2-CD 4.46Å; Y123-K157 HydrophobicContact CG-CD 4.08Å; S153-K157 PolarHBondContact O-N 3.49Å; C154-K157 PolarHBondContact O-N 3.29Å; K157-A159 PolarHBondContact O-N 3.37Å; K157-N160 PolarHBondContact O-N 2.69Å
158F96.8Very high93.6Very high1 Ų119.5 Ų19.50%0.00411%0.107CC..Hα-helixtrans-60.6-44.4178.8179.7-108.6000112.4L83 F120 F142 F144 C154 L155 D156 N160 F161 F162 F268L83-F158 HydrophobicContact CB-CE1 3.8Å; L83-F158 HydrophobicContact CB-CZ 3.9Å; F120-F158 HydrophobicContact CE1-CD2 4.4Å; F120-F158 HydrophobicContact CE2-CB 3.99Å; F120-F158 HydrophobicContact CZ-CB 3.99Å; F120-F158 HydrophobicContact CZ-CD2 4.02Å; F120-F158 HydrophobicContact CZ-CG 4.46Å; F142-F158 HydrophobicContact CB-CE2 3.64Å; F142-F158 HydrophobicContact CB-CZ 3.74Å; F144-F158 HydrophobicContact CD1-CB 4.02Å; F144-F158 HydrophobicContact CD1-CD1 4.18Å; F144-F158 AromaticContact CD1-CD2 3.69Å; F144-F158 HydrophobicContact CD1-CD2 3.69Å; F144-F158 HydrophobicContact CD1-CE2 4.11Å; F144-F158 AromaticContact CD1-CG 3.71Å; F144-F158 HydrophobicContact CD1-CG 3.71Å; F144-F158 HydrophobicContact CE1-CB 3.58Å; F144-F158 AromaticContact CE1-CD1 3.78Å; F144-F158 HydrophobicContact CE1-CD1 3.78Å; F144-F158 HydrophobicContact CE1-CD2 4.03Å; F144-F158 HydrophobicContact CE1-CE1 4.44Å; F144-F158 AromaticContact CE1-CG 3.54Å; F144-F158 HydrophobicContact CE1-CG 3.54Å; F144-F158 HydrophobicContact CZ-CB 4.44Å; C154-F158 WeakPolarHBondContact O-CB 3.33Å; C154-F158 PolarHBondContact O-N 2.74Å; L155-F158 PolarHBondContact O-N 3.43Å; D156-F158 PolarHBondContact O-N 3.4Å; F158-N160 PolarHBondContact O-N 2.92Å; F158-F161 HydrophobicContact CD2-CD2 4.11Å; F158-F161 HydrophobicContact CD2-CE2 4.12Å; F158-F161 VanDerWaalsContact O-CB 3.26Å; F158-F161 WeakPolarHBondContact O-CB 3.48Å; F158-F161 WeakPolarHBondContact O-CG 3.32Å; F158-F161 PolarHBondContact O-N 3.47Å; F158-F162 HydrophobicContact CD1-CE2 4.15Å; F158-F162 AromaticContact CE1-CE2 3.86Å; F158-F162 HydrophobicContact CE1-CE2 3.86Å; F158-F162 HydrophobicContact CE1-CZ 4.43Å; F158-F162 HydrophobicContact CE2-CE2 4.26Å; F158-F162 HydrophobicContact CE2-CZ 4.28Å; F158-F162 HydrophobicContact CG-CE2 4.49Å; F158-F162 AromaticContact CZ-CE2 3.92Å; F158-F162 HydrophobicContact CZ-CE2 3.92Å; F158-F162 HydrophobicContact CZ-CZ 4.05Å; F158-F162 WeakPolarHBondContact O-CE2 3.36Å; F158-F268 HydrophobicContact CD1-CE1 4.39Å; F158-F268 HydrophobicContact CD1-CZ 4.17Å
159A97.5Very high93.5Very high0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-61.7-31.9178.100000112.8L155 D156 K157 F161 F162 I163 I267 F268L155-A159 WeakPolarHBondContact O-CB 3.46Å; L155-A159 PolarHBondContact O-N 3.03Å; D156-A159 PolarHBondContact O-N 2.94Å; K157-A159 PolarHBondContact O-N 3.37Å; A159-F161 PolarHBondContact O-N 3.22Å; A159-F162 PolarHBondContact O-N 3.47Å; A159-I163 HydrophobicContact CB-CD1 4.21Å; A159-I163 WeakPolarHBondContact O-CG1 3.49Å; A159-I163 PolarHBondContact O-N 3.44Å; A159-I163 VanDerWaalsContact O-N 3.14Å; A159-I267 HydrophobicContact CB-CG2 3.28Å; A159-F268 HydrophobicContact CB-CD1 4.04Å; A159-F268 HydrophobicContact CB-CE1 3.8Å; A159-F268 HydrophobicContact CB-CE2 4.49Å; A159-F268 HydrophobicContact CB-CG 4.46Å; A159-F268 HydrophobicContact CB-CZ 4.05Å
160N96.6Very high93.5Very high8 Ų827.3 Ų27.34%0.04315%0.148CC..Hα-helixtrans-68.4-15-179.8-83.6-87.3000114.2S111 K113 Y114 D156 K157 F158 F162 S164S111-N160 WeakPolarHBondContact OG-CB 3.42Å; K113-N160 WeakPolarHBondContact CB-OD1 3.35Å; Y114-N160 HydrophobicContact CD2-CB 4.22Å; Y114-N160 HydrophobicContact CE2-CB 4.5Å; D156-N160 PolarHBondContact O-N 2.97Å; D156-N160 PolarHBondContact O-ND2 3.47Å; D156-N160 PolarHBondContact OD1-ND2 2.98Å; K157-N160 PolarHBondContact O-N 2.69Å; F158-N160 PolarHBondContact O-N 2.92Å; N160-F162 PolarHBondContact O-N 3.38Å; N160-S164 CarbonylContact O-C 3.59Å; N160-S164 PolarHBondContact O-N 3.25Å
161F95.4Very high93.3Very high6 Ų626.1 Ų26.13%0.02614%0.142CC..Hα-helixtrans-59.7-32.2168.2-65.32.1000111.5V107 F108 F120 F158 A159 P165V107-F161 HydrophobicContact CB-CB 4.12Å; V107-F161 HydrophobicContact CG2-CB 4.36Å; V107-F161 HydrophobicContact CG2-CD2 4.49Å; V107-F161 WeakPolarHBondContact O-CD1 3.42Å; F108-F161 AromaticContact CD1-CE2 3.63Å; F108-F161 HydrophobicContact CD1-CE2 3.63Å; F108-F161 AromaticContact CD1-CZ 3.8Å; F108-F161 HydrophobicContact CD1-CZ 3.8Å; F108-F161 AromaticContact CE1-CE2 3.61Å; F108-F161 HydrophobicContact CE1-CE2 3.61Å; F108-F161 HydrophobicContact CE1-CZ 4.17Å; F108-F161 HydrophobicContact CG-CE2 4.17Å; F108-F161 HydrophobicContact CG-CZ 4.39Å; F108-F161 HydrophobicContact CZ-CE2 4.16Å; F120-F161 HydrophobicContact CB-CE1 4.13Å; F120-F161 HydrophobicContact CB-CZ 3.76Å; F120-F161 AromaticContact CD1-CE2 3.99Å; F120-F161 HydrophobicContact CD1-CE2 3.99Å; F120-F161 AromaticContact CD1-CZ 3.46Å; F120-F161 HydrophobicContact CD1-CZ 3.46Å; F120-F161 VanDerWaalsContact CD1-CZ 3.46Å; F120-F161 HydrophobicContact CD2-CZ 4.25Å; F120-F161 HydrophobicContact CE1-CE2 4.13Å; F120-F161 HydrophobicContact CE1-CZ 4.01Å; F120-F161 HydrophobicContact CG-CE1 4.21Å; F120-F161 HydrophobicContact CG-CE2 4.46Å; F120-F161 AromaticContact CG-CZ 3.56Å; F120-F161 HydrophobicContact CG-CZ 3.56Å; F158-F161 HydrophobicContact CD2-CD2 4.11Å; F158-F161 HydrophobicContact CD2-CE2 4.12Å; F158-F161 VanDerWaalsContact O-CB 3.26Å; F158-F161 WeakPolarHBondContact O-CB 3.48Å; F158-F161 WeakPolarHBondContact O-CG 3.32Å; F158-F161 PolarHBondContact O-N 3.47Å; A159-F161 PolarHBondContact O-N 3.22Å; F161-P165 WeakPolarHBondContact O-CB 3.48Å; F161-P165 VanDerWaalsContact O-CD 3.29Å; F161-P165 WeakPolarHBondContact O-CD 3.39Å; F161-P165 VanDerWaalsContact O-CG 3.25Å; F161-P165 WeakPolarHBondContact O-CG 3.48Å
162F96.5Very high93Very high0 Ų026.5 Ų26.50%015%0.145CC..Hα-helixtrans-102.3-26.3-174.8-45.5-66.4000112.4L83 I85 F142 F158 A159 N160 Y242 M247 I271L83-F162 HydrophobicContact CB-CE2 4.22Å; L83-F162 HydrophobicContact CB-CZ 4.27Å; L83-F162 HydrophobicContact CD1-CD2 3.76Å; L83-F162 HydrophobicContact CD1-CE2 3.78Å; L83-F162 HydrophobicContact CD1-CG 4.31Å; L83-F162 HydrophobicContact CD1-CZ 4.36Å; L83-F162 HydrophobicContact CD2-CD1 4.16Å; L83-F162 HydrophobicContact CD2-CD2 4.4Å; L83-F162 HydrophobicContact CD2-CE1 3.88Å; L83-F162 HydrophobicContact CD2-CE2 4.13Å; L83-F162 HydrophobicContact CD2-CG 4.42Å; L83-F162 HydrophobicContact CD2-CZ 3.86Å; L83-F162 HydrophobicContact CG-CE2 4.27Å; L83-F162 HydrophobicContact CG-CZ 4.39Å; I85-F162 HydrophobicContact CD1-CD1 4.05Å; I85-F162 HydrophobicContact CD1-CE1 4.03Å; F142-F162 HydrophobicContact CB-CZ 4.05Å; F142-F162 HydrophobicContact CD1-CZ 4.46Å; F142-F162 AromaticContact CD2-CE1 3.58Å; F142-F162 HydrophobicContact CD2-CE1 3.58Å; F142-F162 AromaticContact CD2-CZ 3.72Å; F142-F162 HydrophobicContact CD2-CZ 3.72Å; F142-F162 AromaticContact CE2-CE1 3.7Å; F142-F162 HydrophobicContact CE2-CE1 3.7Å; F142-F162 HydrophobicContact CE2-CZ 4.3Å; F142-F162 HydrophobicContact CG-CE1 4.07Å; F142-F162 AromaticContact CG-CZ 3.83Å; F142-F162 HydrophobicContact CG-CZ 3.83Å; F142-F162 HydrophobicContact CZ-CE1 4.27Å; F158-F162 HydrophobicContact CD1-CE2 4.15Å; F158-F162 AromaticContact CE1-CE2 3.86Å; F158-F162 HydrophobicContact CE1-CE2 3.86Å; F158-F162 HydrophobicContact CE1-CZ 4.43Å; F158-F162 HydrophobicContact CE2-CE2 4.26Å; F158-F162 HydrophobicContact CE2-CZ 4.28Å; F158-F162 HydrophobicContact CG-CE2 4.49Å; F158-F162 AromaticContact CZ-CE2 3.92Å; F158-F162 HydrophobicContact CZ-CE2 3.92Å; F158-F162 HydrophobicContact CZ-CZ 4.05Å; F158-F162 WeakPolarHBondContact O-CE2 3.36Å; A159-F162 PolarHBondContact O-N 3.47Å; N160-F162 PolarHBondContact O-N 3.38Å; F162-Y242 HydrophobicContact CD1-CD2 4.19Å; F162-Y242 HydrophobicContact CD1-CE2 4.31Å; F162-M247 HydrophobicContact CB-CE 4.12Å; F162-M247 HydrophobicContact CB-SD 4.5Å; F162-M247 HydrophobicContact CD1-CE 4.36Å; F162-M247 HydrophobicContact CG-CE 4.44Å; F162-I271 HydrophobicContact CB-CD1 3.84Å; F162-I271 HydrophobicContact CB-CG1 4.16Å; F162-I271 HydrophobicContact CB-CG2 4.39Å; F162-I271 HydrophobicContact CD2-CD1 4.42Å; F162-I271 HydrophobicContact CG-CD1 4.48Å
163I96.4Very high92.6Very high32 Ų3230.1 Ų30.116%0.16416%0.161CC..Hα-helixtrans-73.5-60.8177.1-60.9164.7000110.4A159 D270 I271A159-I163 HydrophobicContact CB-CD1 4.21Å; A159-I163 WeakPolarHBondContact O-CG1 3.49Å; A159-I163 PolarHBondContact O-N 3.44Å; A159-I163 VanDerWaalsContact O-N 3.14Å; I163-D270 HydrophobicContact CD1-CB 4.05Å; I163-D270 HydrophobicContact CG1-CB 4.28Å; I163-D270 HydrophobicContact CG2-CB 4.32Å; I163-I271 HydrophobicContact CG1-CG1 3.79Å
164S94.7Very high92.3Very high32 Ų3230.7 Ų30.722%0.22416%0.157CC..  trans-152.661.3-169.658.70000113.5S111 L112 N160S111-S164 CarbonylContact C-O 3.56Å; S111-S164 WeakPolarHBondContact CA-O 3.5Å; S111-S164 WeakPolarHBondContact CB-O 3.45Å; L112-S164 WeakPolarHBondContact CB-OG 3.37Å; L112-S164 PolarHBondContact N-O 3.33Å; N160-S164 CarbonylContact O-C 3.59Å; N160-S164 PolarHBondContact O-N 3.25Å
165P94.9Very high92.1Very high14 Ų1431.5 Ų31.59%0.09116%0.161CC..BIsolated β-bridgetrans-63143175.429.6-35.1000110.3V107 F161 L167 R238V107-P165 HydrophobicContact CB-CB 4.32Å; V107-P165 HydrophobicContact CG1-CB 3.98Å; V107-P165 HydrophobicContact CG1-CG 4.1Å; F161-P165 WeakPolarHBondContact O-CB 3.48Å; F161-P165 VanDerWaalsContact O-CD 3.29Å; F161-P165 WeakPolarHBondContact O-CD 3.39Å; F161-P165 VanDerWaalsContact O-CG 3.25Å; F161-P165 WeakPolarHBondContact O-CG 3.48Å; P165-L167 HydrophobicContact CB-CD2 4.21Å; P165-L167 HydrophobicContact CB-CG 4.35Å; P165-L167 HydrophobicContact CG-CD2 4.4Å; P165-L167 HydrophobicContact CG-CG 4.35Å; P165-R238 VanDerWaalsContact CG-CD 3.43Å
166L92.8Very high91.9Very high64 Ų6431.5 Ų31.534%0.33516%0.161SC..  trans-68.8-38-179.5-71.8-179.6000111.9G110 P115 S168G110-L166 PolarHBondContact O-N 2.95Å; P115-L166 HydrophobicContact CB-CD1 3.98Å; L166-S168 VanDerWaalsContact C-N 3.28Å; L166-S168 PolarHBondContact O-N 2.93Å
167L91.4Very high91.4Very high0 Ų033.2 Ų33.20%017%0.17CC..  trans48.450.7-170.1-55.5-178.4000110.9L103 M106 V107 P165 Y231 L234 R238L103-L167 HydrophobicContact CD1-CD1 4.16Å; L103-L167 HydrophobicContact CD1-CD2 3.75Å; M106-L167 HydrophobicContact CB-CD2 3.65Å; V107-L167 HydrophobicContact CG1-CD2 4.29Å; P165-L167 HydrophobicContact CB-CD2 4.21Å; P165-L167 HydrophobicContact CB-CG 4.35Å; P165-L167 HydrophobicContact CG-CD2 4.4Å; P165-L167 HydrophobicContact CG-CG 4.35Å; L167-Y231 WeakPolarHBondContact O-CE2 3.23Å; L167-Y231 PolarHBondContact O-OH 3.42Å; L167-L234 HydrophobicContact CB-CD2 4.44Å; L167-L234 HydrophobicContact CD1-CD2 4.32Å; L167-L234 HydrophobicContact CD1-CG 4.34Å; L167-L234 HydrophobicContact CD2-CD2 4.37Å; L167-R238 HydrophobicContact CD1-CB 4.38Å
168S86.8Confident90.9Very high30 Ų3033 Ų3321%0.2117%0.172CC..  trans-58.8138.1-170.2176.50000112.8M106 L166 D170 S171 T172M106-S168 WeakPolarHBondContact CE-O 3.29Å; L166-S168 VanDerWaalsContact C-N 3.28Å; L166-S168 PolarHBondContact O-N 2.93Å; S168-D170 PolarHBondContact O-N 2.81Å; S168-D170 PolarHBondContact OG-N 2.77Å; S168-S171 WeakPolarHBondContact CB-OG 3.43Å; S168-S171 PolarHBondContact O-N 2.7Å; S168-T172 PolarHBondContact O-N 3.05Å; S168-T172 PolarHBondContact O-OG1 2.66Å; S168-T172 VanDerWaalsContact O-OG1 3.08Å
169K85.9Confident90.6Very high142 Ų14232.9 Ų32.962%0.61717%0.172SC*.Hα-helixtrans-64.2-30.9177.3-168.2173.3-179.3175.40111.7S171 T172 Y231K169-S171 VanDerWaalsContact C-N 3.28Å; K169-S171 PolarHBondContact O-N 2.81Å; K169-T172 WeakPolarHBondContact O-CB 3.47Å; K169-T172 PolarHBondContact O-N 3.25Å; K169-T172 PolarHBondContact O-OG1 2.95Å; K169-Y231 HydrophobicContact CB-CD2 4.12Å; K169-Y231 HydrophobicContact CB-CE2 3.82Å; K169-Y231 HydrophobicContact CG-CD2 4.25Å; K169-Y231 HydrophobicContact CG-CE2 4.43Å
170D84.6Confident90.2Very high132 Ų13234.2 Ų34.271%0.70618%0.178SC*.Hα-helixtrans-71.5-22.5-178.7-61-25.1000112.7S168S168-D170 PolarHBondContact O-N 2.81Å; S168-D170 PolarHBondContact OG-N 2.77Å
171S85.7Confident89.5Confident0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-91.6-20.3176.6-19.30000112.2E117 S168 K169 D173 R174 E175E117-S171 PolarHBondContact OE1-OG 3.04Å; S168-S171 WeakPolarHBondContact CB-OG 3.43Å; S168-S171 PolarHBondContact O-N 2.7Å; K169-S171 VanDerWaalsContact C-N 3.28Å; K169-S171 PolarHBondContact O-N 2.81Å; S171-D173 VanDerWaalsContact C-N 3.34Å; S171-D173 PolarHBondContact O-N 3.13Å; S171-R174 PolarHBondContact O-N 3.28Å; S171-R174 VanDerWaalsContact O-N 3.14Å; S171-E175 PolarHBondContact O-N 3.14Å
172T86.9Confident89.1Confident9 Ų935.6 Ų35.66%0.05519%0.185CC..Hα-helixtrans-54.4-47-174.2-61.80000111.8F102 S168 K169 E175 I176 I230F102-T172 HydrophobicContact CE1-CG2 4.18Å; F102-T172 HydrophobicContact CZ-CG2 3.77Å; S168-T172 PolarHBondContact O-N 3.05Å; S168-T172 PolarHBondContact O-OG1 2.66Å; S168-T172 VanDerWaalsContact O-OG1 3.08Å; K169-T172 WeakPolarHBondContact O-CB 3.47Å; K169-T172 PolarHBondContact O-N 3.25Å; K169-T172 PolarHBondContact O-OG1 2.95Å; T172-E175 PolarHBondContact O-N 3.41Å; T172-I176 HydrophobicContact CG2-CD1 4.02Å; T172-I176 VanDerWaalsContact O-CG1 3.32Å; T172-I176 WeakPolarHBondContact O-CG1 3.23Å; T172-I176 PolarHBondContact O-N 2.61Å; T172-I230 HydrophobicContact CG2-CG2 4.49Å
173D86.1Confident88.8Confident93 Ų9336.3 Ų36.350%0.49719%0.189SC..Hα-helixtrans-70.2-34.4-177.6-79.8-32.1000113.7S171 N177 R220S171-D173 VanDerWaalsContact C-N 3.34Å; S171-D173 PolarHBondContact O-N 3.13Å; D173-N177 PolarHBondContact O-N 3.46Å; D173-N177 PolarHBondContact O-ND2 3.22Å; D173-R220 PolarHBondContact O-NH2 3.44Å; D173-R220 IonicContact OD1-CZ 3.69Å; D173-R220 IonicContact OD1-NE 2.77Å; D173-R220 IonicContact OD1-NH2 3.17Å; D173-R220 PolarHBondContact OD1-NH2 2.89Å
174R86.6Confident88.2Confident54 Ų5437 Ų3720%0.20419%0.191CC..Hα-helixtrans-67.4-45.2176.1-76.5-176.6-74.8141.5-2.8110.7E117 S171 N177 A178 T868E117-R174 IonicContact OE1-NH2 2.76Å; E117-R174 PolarHBondContact OE1-NH2 3.1Å; E117-R174 IonicContact OE2-CZ 3.62Å; E117-R174 VanDerWaalsContact OE2-CZ 3.28Å; E117-R174 IonicContact OE2-NH1 3.94Å; E117-R174 PolarHBondContact OE2-NH1 3.36Å; E117-R174 IonicContact OE2-NH2 3.87Å; E117-R174 PolarHBondContact OE2-NH2 3.44Å; S171-R174 PolarHBondContact O-N 3.28Å; S171-R174 VanDerWaalsContact O-N 3.14Å; R174-N177 WeakPolarHBondContact O-CB 3.44Å; R174-N177 PolarHBondContact O-N 3.44Å; R174-A178 PolarHBondContact O-N 3.4Å; R174-T868 HydrophobicContact CG-CG2 4.21Å
175E90.1Very high87.6Confident16 Ų1637.5 Ų37.58%0.07519%0.191CC..Hα-helixtrans-72.9-33.6-178.3-70.6-48.9118.800113.1F102 H105 M106 M109 S171 T172 N177 A178 V179F102-E175 HydrophobicContact CD2-CB 4.44Å; F102-E175 HydrophobicContact CE2-CB 3.71Å; H105-E175 HydrophobicContact CB-CB 4.48Å; H105-E175 IonicContact CG-OE2 2.76Å; H105-E175 IonicContact ND1-OE2 3.5Å; H105-E175 PolarHBondContact ND1-OE2 3Å; M106-E175 HydrophobicContact SD-CB 3.71Å; M106-E175 HydrophobicContact SD-CG 3.82Å; M109-E175 HydrophobicContact CG-CG 3.95Å; M109-E175 HydrophobicContact SD-CG 4.09Å; S171-E175 PolarHBondContact O-N 3.14Å; T172-E175 PolarHBondContact O-N 3.41Å; E175-N177 VanDerWaalsContact C-N 3.25Å; E175-N177 PolarHBondContact O-N 3.38Å; E175-A178 WeakPolarHBondContact O-CB 3.18Å; E175-A178 PolarHBondContact O-N 3.49Å; E175-A178 VanDerWaalsContact O-N 3.11Å; E175-V179 WeakPolarHBondContact O-CG2 3.45Å; E175-V179 PolarHBondContact O-N 3Å
176I91.3Very high87Confident1 Ų136.9 Ų36.91%0.00519%0.187CC..Hα-helixtrans-59.8-39.6169.4-71.5172.2000110.9F102 T172 A178 V179 N180 L219F102-I176 HydrophobicContact CD2-CG1 4.23Å; F102-I176 HydrophobicContact CE1-CD1 4.29Å; F102-I176 HydrophobicContact CE1-CG1 4.04Å; F102-I176 HydrophobicContact CE2-CG1 3.66Å; F102-I176 HydrophobicContact CZ-CD1 4.09Å; F102-I176 HydrophobicContact CZ-CG1 3.57Å; T172-I176 HydrophobicContact CG2-CD1 4.02Å; T172-I176 VanDerWaalsContact O-CG1 3.32Å; T172-I176 WeakPolarHBondContact O-CG1 3.23Å; T172-I176 PolarHBondContact O-N 2.61Å; I176-A178 VanDerWaalsContact C-N 3.34Å; I176-V179 PolarHBondContact O-N 3.33Å; I176-N180 WeakPolarHBondContact O-CB 3.35Å; I176-N180 PolarHBondContact O-N 2.91Å; I176-L219 HydrophobicContact CD1-CB 4.49Å; I176-L219 HydrophobicContact CG1-CB 4.44Å; I176-L219 HydrophobicContact CG2-CB 4.5Å
177N86.9Confident86.7Confident44 Ų4436.5 Ų36.524%0.23518%0.181CC..Hα-helixtrans-69.2-33.5176.5-64.8-29.2000111.7D173 R174 E175 N180 N181 R220D173-N177 PolarHBondContact O-N 3.46Å; D173-N177 PolarHBondContact O-ND2 3.22Å; R174-N177 WeakPolarHBondContact O-CB 3.44Å; R174-N177 PolarHBondContact O-N 3.44Å; E175-N177 VanDerWaalsContact C-N 3.25Å; E175-N177 PolarHBondContact O-N 3.38Å; N177-N180 PolarHBondContact O-N 3.34Å; N177-N181 PolarHBondContact O-N 3.02Å; N177-N181 PolarHBondContact O-ND2 3.11Å; N177-R220 PolarHBondContact OD1-NH1 3.45Å
178A85.1Confident86Confident14 Ų1439.1 Ų39.112%0.11620%0.198CC..Hα-helixtrans-63.1-48.2173.400000111.3R174 E175 I176 N180 N181 E182R174-A178 PolarHBondContact O-N 3.4Å; E175-A178 WeakPolarHBondContact O-CB 3.18Å; E175-A178 PolarHBondContact O-N 3.49Å; E175-A178 VanDerWaalsContact O-N 3.11Å; I176-A178 VanDerWaalsContact C-N 3.34Å; A178-N180 VanDerWaalsContact C-N 3.3Å; A178-N180 PolarHBondContact O-N 3.26Å; A178-N181 PolarHBondContact O-N 3.34Å; A178-E182 PolarHBondContact O-N 3.33Å
179V90.1Very high85.7Confident0 Ų043 Ų430%021%0.211CC..Hα-helixtrans-58.3-41.8173.8173.10000111.1F102 E175 I176 E182 F183 L219F102-V179 HydrophobicContact CD2-CG2 4.32Å; E175-V179 WeakPolarHBondContact O-CG2 3.45Å; E175-V179 PolarHBondContact O-N 3Å; I176-V179 PolarHBondContact O-N 3.33Å; V179-E182 PolarHBondContact O-N 3.37Å; V179-F183 PolarHBondContact O-N 3.35Å; V179-L219 HydrophobicContact CG1-CD1 4.04Å
180N90.5Very high85.7Confident27 Ų2737.2 Ų37.214%0.14419%0.186CC..Hα-helixtrans-63-44.7176.4-173.384000112.7I176 N177 A178 E182 F183 E184 C216I176-N180 WeakPolarHBondContact O-CB 3.35Å; I176-N180 PolarHBondContact O-N 2.91Å; N177-N180 PolarHBondContact O-N 3.34Å; A178-N180 VanDerWaalsContact C-N 3.3Å; A178-N180 PolarHBondContact O-N 3.26Å; N180-E182 VanDerWaalsContact C-N 3.26Å; N180-E182 PolarHBondContact O-N 3.44Å; N180-F183 WeakPolarHBondContact O-CB 3.47Å; N180-F183 PolarHBondContact O-N 2.84Å; N180-E184 PolarHBondContact ND2-OE1 2.76Å; N180-E184 VanDerWaalsContact ND2-OE1 3.12Å; N180-E184 WeakPolarHBondContact O-CG 2.87Å; N180-E184 PolarHBondContact O-N 3.28Å; N180-C216 HydrophobicContact CB-CB 4.44Å; N180-C216 VanDerWaalsContact CB-SG 3.57Å; N180-C216 PolarHBondContact OD1-N 3.26Å
181N81.5Confident85.8Confident15 Ų1534 Ų348%0.0818%0.175CC..Hα-helixtrans-62.4-37.4176.9-68.7-20.2000111.2N177 A178 E184 L185N177-N181 PolarHBondContact O-N 3.02Å; N177-N181 PolarHBondContact O-ND2 3.11Å; A178-N181 PolarHBondContact O-N 3.34Å; N181-E184 PolarHBondContact O-N 3.14Å; N181-L185 WeakPolarHBondContact O-CG 3.47Å; N181-L185 PolarHBondContact O-N 2.96Å; N181-L185 VanDerWaalsContact O-N 3.08Å
182E86.6Confident86Confident29 Ų2935.1 Ų35.114%0.13618%0.182CC..Hα-helixtrans-65.2-42.8175.1-160.9-170.4124.800111.8H101 H105 A178 V179 N180 E184 L185 A186 Y213 Y871H101-E182 IonicContact CE1-OE1 3.29Å; H101-E182 IonicContact CE1-OE2 2.58Å; H101-E182 IonicContact NE2-OE1 3.63Å; H101-E182 IonicContact NE2-OE2 2.98Å; H105-E182 IonicContact NE2-OE2 2.96Å; A178-E182 PolarHBondContact O-N 3.33Å; V179-E182 PolarHBondContact O-N 3.37Å; N180-E182 VanDerWaalsContact C-N 3.26Å; N180-E182 PolarHBondContact O-N 3.44Å; E182-E184 VanDerWaalsContact C-N 3.35Å; E182-E184 PolarHBondContact O-N 3.42Å; E182-L185 WeakPolarHBondContact O-CB 3.49Å; E182-L185 PolarHBondContact O-N 2.67Å; E182-A186 PolarHBondContact O-N 3.1Å; E182-Y213 HydrophobicContact CB-CE1 4.18Å; E182-Y213 HydrophobicContact CG-CE1 4.01Å; E182-Y213 WeakPolarHBondContact CG-OH 3.02Å; E182-Y213 WeakPolarHBondContact OE1-CE1 3.48Å; E182-Y213 PolarHBondContact OE1-OH 3.04Å; E182-Y871 HydrophobicContact CB-CD2 4.01Å; E182-Y871 HydrophobicContact CB-CE2 3.85Å; E182-Y871 HydrophobicContact CG-CD2 4.3Å; E182-Y871 HydrophobicContact CG-CE2 3.76Å; E182-Y871 WeakPolarHBondContact OE2-CE2 3.4Å; E182-Y871 PolarHBondContact OE2-OH 3.03Å
183F89.8Confident86.2Confident15 Ų1535.3 Ų35.37%0.06618%0.182CC..Hα-helixtrans-59.6-42.6172.6170.1-105.7000112.1V179 N180 L185 A186 Y187 F211 Y213 N215 W532 F533V179-F183 PolarHBondContact O-N 3.35Å; N180-F183 WeakPolarHBondContact O-CB 3.47Å; N180-F183 PolarHBondContact O-N 2.84Å; F183-L185 VanDerWaalsContact C-N 3.3Å; F183-L185 PolarHBondContact O-N 3.02Å; F183-A186 CarbonylContact O-C 3.26Å; F183-A186 PolarHBondContact O-N 3.29Å; F183-A186 VanDerWaalsContact O-N 3.13Å; F183-Y187 HydrophobicContact CE1-CD2 4.22Å; F183-Y187 AromaticContact CZ-CD2 3.83Å; F183-Y187 HydrophobicContact CZ-CD2 3.83Å; F183-Y187 WeakPolarHBondContact O-CB 3.49Å; F183-Y187 PolarHBondContact O-N 3.43Å; F183-F211 HydrophobicContact CD2-CE2 4.06Å; F183-F211 AromaticContact CD2-CZ 3.61Å; F183-F211 HydrophobicContact CD2-CZ 3.61Å; F183-F211 AromaticContact CE2-CE2 3.79Å; F183-F211 HydrophobicContact CE2-CE2 3.79Å; F183-F211 AromaticContact CE2-CZ 3.55Å; F183-F211 HydrophobicContact CE2-CZ 3.55Å; F183-F211 HydrophobicContact CG-CZ 4.35Å; F183-F211 HydrophobicContact CZ-CZ 4.25Å; F183-Y213 HydrophobicContact CB-CD1 3.89Å; F183-Y213 HydrophobicContact CB-CE1 4.19Å; F183-Y213 HydrophobicContact CD2-CD1 4.27Å; F183-Y213 HydrophobicContact CD2-CG 4.34Å; F183-N215 HydrophobicContact CB-CB 4.24Å; F183-N215 HydrophobicContact CD1-CB 3.75Å; F183-N215 HydrophobicContact CE1-CB 4.32Å; F183-N215 WeakPolarHBondContact CE1-ND2 3.5Å; F183-N215 HydrophobicContact CG-CB 4Å; F183-W532 WeakPolarHBondContact CZ-O 3.42Å; F183-F533 HydrophobicContact CD2-CE2 4.42Å; F183-F533 HydrophobicContact CD2-CZ 4.09Å; F183-F533 HydrophobicContact CE2-CD1 4.36Å; F183-F533 HydrophobicContact CE2-CD2 4.12Å; F183-F533 HydrophobicContact CE2-CE1 4.04Å; F183-F533 AromaticContact CE2-CE2 3.74Å; F183-F533 HydrophobicContact CE2-CE2 3.74Å; F183-F533 HydrophobicContact CE2-CG 4.4Å; F183-F533 AromaticContact CE2-CZ 3.71Å; F183-F533 HydrophobicContact CE2-CZ 3.71Å
184E84.4Confident86.4Confident45 Ų4531.5 Ų31.521%0.2116%0.162CC..Hα-helixtrans-61.1-37.8176.3-73.7179176.700112.1N180 N181 E182 Y187N180-E184 PolarHBondContact ND2-OE1 2.76Å; N180-E184 VanDerWaalsContact ND2-OE1 3.12Å; N180-E184 WeakPolarHBondContact O-CG 2.87Å; N180-E184 PolarHBondContact O-N 3.28Å; N181-E184 PolarHBondContact O-N 3.14Å; E182-E184 VanDerWaalsContact C-N 3.35Å; E182-E184 PolarHBondContact O-N 3.42Å; E184-Y187 WeakPolarHBondContact O-CB 3.34Å; E184-Y187 PolarHBondContact O-N 2.94Å
185L80.8Confident86.7Confident43 Ų4332 Ų3223%0.22517%0.166CC..Hα-helixtrans-66.3-43172-68.8174.2000111.7N181 E182 F183 Y187 T188 Y871N181-L185 WeakPolarHBondContact O-CG 3.47Å; N181-L185 PolarHBondContact O-N 2.96Å; N181-L185 VanDerWaalsContact O-N 3.08Å; E182-L185 WeakPolarHBondContact O-CB 3.49Å; E182-L185 PolarHBondContact O-N 2.67Å; F183-L185 VanDerWaalsContact C-N 3.3Å; F183-L185 PolarHBondContact O-N 3.02Å; L185-Y187 VanDerWaalsContact C-N 3.3Å; L185-Y187 PolarHBondContact O-N 2.97Å; L185-T188 PolarHBondContact O-N 3.37Å; L185-T188 PolarHBondContact O-OG1 3.48Å; L185-Y871 HydrophobicContact CD1-CD1 3.53Å; L185-Y871 HydrophobicContact CD1-CE1 4.34Å; L185-Y871 HydrophobicContact CD1-CG 3.92Å
186A84.2Confident86.8Confident1 Ų133.4 Ų33.41%0.00817%0.171CC..Hα-helixtrans-66.9-31.2176.800000112.7E182 F183 T188 K189 Y213 F533E182-A186 PolarHBondContact O-N 3.1Å; F183-A186 CarbonylContact O-C 3.26Å; F183-A186 PolarHBondContact O-N 3.29Å; F183-A186 VanDerWaalsContact O-N 3.13Å; A186-T188 PolarHBondContact O-N 3.38Å; A186-K189 WeakPolarHBondContact O-CB 3.48Å; A186-K189 PolarHBondContact O-N 2.89Å; A186-Y213 HydrophobicContact CB-CD2 4.41Å; A186-Y213 HydrophobicContact CB-CE1 4.27Å; A186-Y213 HydrophobicContact CB-CE2 3.57Å; A186-F533 HydrophobicContact CB-CE1 4.41Å
187Y85.1Confident86.9Confident56 Ų5633.3 Ų33.322%0.2217%0.171CC..Hα-helixtrans-58.5-30.8179.7-171.3-86.6000112.3F183 E184 L185 K189 R193 L301 F533F183-Y187 HydrophobicContact CE1-CD2 4.22Å; F183-Y187 AromaticContact CZ-CD2 3.83Å; F183-Y187 HydrophobicContact CZ-CD2 3.83Å; F183-Y187 WeakPolarHBondContact O-CB 3.49Å; F183-Y187 PolarHBondContact O-N 3.43Å; E184-Y187 WeakPolarHBondContact O-CB 3.34Å; E184-Y187 PolarHBondContact O-N 2.94Å; L185-Y187 VanDerWaalsContact C-N 3.3Å; L185-Y187 PolarHBondContact O-N 2.97Å; Y187-K189 VanDerWaalsContact C-N 3.27Å; Y187-K189 PolarHBondContact O-N 3.44Å; Y187-R193 WeakPolarHBondContact O-CD 3.32Å; Y187-L301 VanDerWaalsContact O-CD1 3.31Å; Y187-L301 WeakPolarHBondContact O-CD1 3.45Å; Y187-F533 HydrophobicContact CD2-CB 4.49Å; Y187-F533 HydrophobicContact CD2-CD1 4.07Å; Y187-F533 VanDerWaalsContact CE2-C 3.43Å; Y187-F533 HydrophobicContact CE2-CB 4.48Å; Y187-F533 WeakPolarHBondContact CE2-O 3.48Å; Y187-F533 HydrophobicContact CG-CD1 4.5Å; Y187-F533 VanDerWaalsContact CZ-O 3.32Å; Y187-F533 PolarHBondContact OH-O 3.17Å
188T77.5Confident87.3Confident56 Ų5631.3 Ų31.334%0.34416%0.16SC..THydrogen-bonded Turntrans-79-4.817969.10000113.8L185 A186L185-T188 PolarHBondContact O-N 3.37Å; L185-T188 PolarHBondContact O-OG1 3.48Å; A186-T188 PolarHBondContact O-N 3.38Å
189K81.2Confident87.7Confident111 Ų11130.9 Ų30.948%0.48316%0.157SC..  trans-102.1116.5-175.9-58.8177.6-174.3171.40111.5A186 Y187 S191 S192 R193A186-K189 WeakPolarHBondContact O-CB 3.48Å; A186-K189 PolarHBondContact O-N 2.89Å; Y187-K189 VanDerWaalsContact C-N 3.27Å; Y187-K189 PolarHBondContact O-N 3.44Å; K189-S191 PolarHBondContact O-N 2.7Å; K189-S191 VanDerWaalsContact O-N 3.15Å; K189-S192 PolarHBondContact O-N 3.23Å; K189-R193 WeakPolarHBondContact O-CG 3.49Å; K189-R193 PolarHBondContact O-N 3.32Å; K189-R193 VanDerWaalsContact O-N 3.14Å
190D85.8Confident87.8Confident20 Ų2033.2 Ų33.211%0.10717%0.167CC..Hα-helixtrans-56.6-30.3175.9-76.5-39000113.2L194 L301 S302D190-L194 WeakPolarHBondContact O-CB 3.36Å; D190-L194 WeakPolarHBondContact O-CG 3.36Å; D190-L194 PolarHBondContact O-N 3.29Å; D190-L301 PolarHBondContact OD1-N 3.39Å; D190-L301 PolarHBondContact OD2-N 3.29Å; D190-S302 WeakPolarHBondContact OD2-CB 3.18Å; D190-S302 PolarHBondContact OD2-N 3.03Å; D190-S302 PolarHBondContact OD2-OG 3.12Å
191S86Confident87.9Confident66 Ų6632.4 Ų32.446%0.46216%0.163SC..Hα-helixtrans-64.4-48.4176.852.40000112.5K189 L194 H195K189-S191 PolarHBondContact O-N 2.7Å; K189-S191 VanDerWaalsContact O-N 3.15Å; S191-L194 PolarHBondContact O-N 2.87Å; S191-H195 PolarHBondContact O-CD2 3.09Å; S191-H195 PolarHBondContact O-N 3.27Å; S191-H195 VanDerWaalsContact O-N 3.07Å
192S88.8Confident88.5Confident23 Ų2332 Ų3216%0.16116%0.161CC..Hα-helixtrans-64.7-43.2178.4-56.30000110.9K189 L194 H195 Y196K189-S192 PolarHBondContact O-N 3.23Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 2.94Å; S192-H195 PolarHBondContact O-N 3.37Å; S192-Y196 PolarHBondContact O-N 3.3Å
193R91.5Very high88.8Confident12 Ų1235.5 Ų35.55%0.04517%0.173CC..Hα-helixtrans-55.4-46.6174.6-68.6170.465.675.10.4111.9Y187 K189 L197 F533 V535Y187-R193 WeakPolarHBondContact O-CD 3.32Å; K189-R193 WeakPolarHBondContact O-CG 3.49Å; K189-R193 PolarHBondContact O-N 3.32Å; K189-R193 VanDerWaalsContact O-N 3.14Å; R193-L197 PolarHBondContact O-N 3.47Å; R193-F533 HydrophobicContact CB-CD1 4.45Å; R193-F533 HydrophobicContact CG-CB 4.15Å; R193-F533 HydrophobicContact CG-CD1 3.63Å; R193-F533 HydrophobicContact CG-CE1 4.45Å; R193-F533 HydrophobicContact CG-CG 4.22Å; R193-F533 PolarHBondContact NH1-O 3.11Å; R193-V535 HydrophobicContact CB-CG2 3.74Å; R193-V535 HydrophobicContact CG-CG2 4.21Å
194L91.9Very high88.7Confident14 Ų1444.3 Ų44.37%0.07321%0.211CC..Hα-helixtrans-67.9-36.3178.5-76.1178000113.4D190 S191 S192 Y196 L197 I198 V298 L512D190-L194 WeakPolarHBondContact O-CB 3.36Å; D190-L194 WeakPolarHBondContact O-CG 3.36Å; D190-L194 PolarHBondContact O-N 3.29Å; S191-L194 PolarHBondContact O-N 2.87Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 2.94Å; L194-Y196 VanDerWaalsContact C-N 3.34Å; L194-Y196 PolarHBondContact O-N 3.27Å; L194-L197 HydrophobicContact CD2-CD2 4.34Å; L194-L197 PolarHBondContact O-N 3.22Å; L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.4Å; L194-I198 PolarHBondContact O-N 3.02Å; L194-V298 HydrophobicContact CD2-CG1 4.23Å; L194-V298 HydrophobicContact CD2-CG2 4.45Å; L194-L512 HydrophobicContact CD1-CD1 3.89Å; L194-L512 HydrophobicContact CD1-CD2 3.67Å; L194-L512 HydrophobicContact CD1-CG 4.36Å; L194-L512 HydrophobicContact CD2-CD1 3.86Å; L194-L512 HydrophobicContact CD2-CD2 4.17Å; L194-L512 HydrophobicContact CD2-CG 4.25Å; L194-L512 HydrophobicContact CG-CD1 4.42Å; L194-L512 HydrophobicContact CG-CD2 4.07Å
195H91.3Very high88.9Confident64 Ų6447 Ų4730%0.29623%0.227SC..Hα-helixtrans-60.6-45.2177.1-69.9177.4000111.4S191 S192 I198 G199 R308 F363S191-H195 PolarHBondContact O-CD2 3.09Å; S191-H195 PolarHBondContact O-N 3.27Å; S191-H195 VanDerWaalsContact O-N 3.07Å; S192-H195 PolarHBondContact O-N 3.37Å; H195-I198 PolarHBondContact O-N 3.28Å; H195-G199 PolarHBondContact O-N 3.34Å; H195-R308 PolarHBondContact CD2-NH1 2.93Å; H195-F363 HydrophobicContact CB-CE1 4.33Å; H195-F363 HydrophobicContact CB-CE2 4.18Å; H195-F363 HydrophobicContact CB-CZ 3.93Å; H195-F363 WeakPolarHBondContact O-CZ 3.43Å
196Y92.3Very high89.5Confident45 Ų4545.1 Ų45.118%0.17622%0.218CC..Hα-helixtrans-71.6-30.3176.3-80.4-79.9000113.3S192 L194 H200 F211 G212 Y213 F533S192-Y196 PolarHBondContact O-N 3.3Å; L194-Y196 VanDerWaalsContact C-N 3.34Å; L194-Y196 PolarHBondContact O-N 3.27Å; Y196-H200 VanDerWaalsContact O-CB 3.28Å; Y196-H200 WeakPolarHBondContact O-CB 3.42Å; Y196-H200 PolarHBondContact O-N 3.28Å; Y196-F211 HydrophobicContact CD1-CD2 4.14Å; Y196-F211 AromaticContact CE1-CD2 3.65Å; Y196-F211 HydrophobicContact CE1-CD2 3.65Å; Y196-F211 HydrophobicContact CE1-CE2 4.41Å; Y196-F211 AromaticContact CZ-CD2 3.9Å; Y196-G212 PolarHBondContact OH-N 2.89Å; Y196-Y213 HydrophobicContact CE2-CD2 4.37Å; Y196-Y213 PolarHBondContact OH-N 3.39Å; Y196-F533 HydrophobicContact CD1-CE2 4.49Å; Y196-F533 AromaticContact CD2-CD2 3.77Å; Y196-F533 HydrophobicContact CD2-CD2 3.77Å; Y196-F533 AromaticContact CD2-CE2 3.14Å; Y196-F533 HydrophobicContact CD2-CE2 3.14Å; Y196-F533 AromaticContact CD2-CZ 3.86Å; Y196-F533 HydrophobicContact CD2-CZ 3.86Å; Y196-F533 AromaticContact CE2-CE2 3.57Å; Y196-F533 HydrophobicContact CE2-CE2 3.57Å; Y196-F533 HydrophobicContact CE2-CZ 4.09Å; Y196-F533 AromaticContact CG-CD2 3.86Å; Y196-F533 HydrophobicContact CG-CD2 3.86Å; Y196-F533 AromaticContact CG-CE2 3.66Å; Y196-F533 HydrophobicContact CG-CE2 3.66Å
197L94.6Very high89.9Confident0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-65.5-41.5170-178.862.7000112R193 L194 H200 L201 V298 F510 E530 V535 Y537R193-L197 PolarHBondContact O-N 3.47Å; L194-L197 HydrophobicContact CD2-CD2 4.34Å; L194-L197 PolarHBondContact O-N 3.22Å; L197-H200 WeakPolarHBondContact O-CB 3.42Å; L197-H200 PolarHBondContact O-N 2.89Å; L197-L201 PolarHBondContact O-N 3.49Å; L197-V298 HydrophobicContact CD2-CG1 4.19Å; L197-V298 HydrophobicContact CD2-CG2 3.57Å; L197-F510 HydrophobicContact CD2-CD1 3.83Å; L197-F510 HydrophobicContact CD2-CE1 3.77Å; L197-F510 HydrophobicContact CG-CD1 4.48Å; L197-F510 HydrophobicContact CG-CE1 3.92Å; L197-E530 HydrophobicContact CD1-CB 4.29Å; L197-V535 HydrophobicContact CD2-CG1 4.24Å; L197-Y537 HydrophobicContact CD1-CD1 3.7Å; L197-Y537 HydrophobicContact CD1-CE1 3.65Å; L197-Y537 HydrophobicContact CD1-CG 4.2Å
198I93.8Very high90.3Very high2 Ų243.8 Ų43.81%0.0122%0.215CC..Hα-helixtrans-63.2-50.8174.6-69.1163.8000109.5L194 H195 H200 L201 F287 V310 F363 I371 F510L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.4Å; L194-I198 PolarHBondContact O-N 3.02Å; H195-I198 PolarHBondContact O-N 3.28Å; I198-H200 PolarHBondContact O-N 2.91Å; I198-L201 VanDerWaalsContact O-CB 3.3Å; I198-L201 WeakPolarHBondContact O-CB 3.32Å; I198-L201 PolarHBondContact O-N 2.83Å; I198-F287 HydrophobicContact CG2-CE1 4.09Å; I198-F287 HydrophobicContact CG2-CZ 4.43Å; I198-F287 WeakPolarHBondContact O-CE1 3.35Å; I198-V310 HydrophobicContact CD1-CG2 4.04Å; I198-F363 HydrophobicContact CB-CZ 4.38Å; I198-F363 HydrophobicContact CG2-CZ 4.28Å; I198-I371 HydrophobicContact CG2-CD1 4.48Å; I198-F510 HydrophobicContact CD1-CE2 4.5Å; I198-F510 HydrophobicContact CG1-CE1 4.42Å; I198-F510 HydrophobicContact CG1-CE2 3.84Å; I198-F510 HydrophobicContact CG1-CZ 3.68Å
199G93.2Very high91Very high4 Ų444.2 Ų44.24%0.04121%0.212CC..Hα-helixtrans-55.6-34174.100000112.5H195 L201 S202H195-G199 PolarHBondContact O-N 3.34Å; G199-L201 PolarHBondContact O-N 3.49Å; G199-S202 WeakPolarHBondContact O-CB 3.4Å; G199-S202 PolarHBondContact O-N 2.87Å; G199-S202 PolarHBondContact O-OG 3.09Å
200H92.7Very high91.6Very high49 Ų4940.3 Ų40.323%0.22720%0.196CC..Hα-helixtrans-64.2-21174.5-168.884.2000113.7Y196 L197 I198 S202 K209 E530 P531Y196-H200 VanDerWaalsContact O-CB 3.28Å; Y196-H200 WeakPolarHBondContact O-CB 3.42Å; Y196-H200 PolarHBondContact O-N 3.28Å; L197-H200 WeakPolarHBondContact O-CB 3.42Å; L197-H200 PolarHBondContact O-N 2.89Å; I198-H200 PolarHBondContact O-N 2.91Å; H200-S202 PolarHBondContact O-N 3.47Å; H200-K209 PolarHBondContact O-NZ 3.1Å; H200-E530 HydrophobicContact CB-CG 4.02Å; H200-P531 VanDerWaalsContact CE1-CD 3.47Å; H200-P531 WeakPolarHBondContact CE1-CD 3.37Å; H200-P531 WeakPolarHBondContact ND1-CD 3.39Å
201L92.9Very high92Very high10 Ų1039.3 Ų39.35%0.05219%0.191CC..THydrogen-bonded Turntrans-77.2-7172.5-54.6-168.8000113.2L197 I198 G199 F287 D288 Y296 A508 F510L197-L201 PolarHBondContact O-N 3.49Å; I198-L201 VanDerWaalsContact O-CB 3.3Å; I198-L201 WeakPolarHBondContact O-CB 3.32Å; I198-L201 PolarHBondContact O-N 2.83Å; G199-L201 PolarHBondContact O-N 3.49Å; L201-F287 HydrophobicContact CB-CD1 4.28Å; L201-D288 PolarHBondContact O-N 2.82Å; L201-Y296 HydrophobicContact CD1-CE1 4.36Å; L201-Y296 HydrophobicContact CD1-CE2 3.89Å; L201-Y296 HydrophobicContact CD2-CE1 3.68Å; L201-Y296 WeakPolarHBondContact CD2-OH 3.19Å; L201-A508 HydrophobicContact CD1-CB 4.43Å; L201-F510 HydrophobicContact CD1-CE1 4.21Å; L201-F510 HydrophobicContact CD1-CE2 4.47Å; L201-F510 HydrophobicContact CD1-CZ 3.55Å; L201-F510 HydrophobicContact CG-CZ 4.44Å
202S93.4Very high92.4Very high6 Ų636.5 Ų36.54%0.04217%0.173CC..BIsolated β-bridgetrans-67159.1176.985.10000111.9G199 H200 K209 P286G199-S202 WeakPolarHBondContact O-CB 3.4Å; G199-S202 PolarHBondContact O-N 2.87Å; G199-S202 PolarHBondContact O-OG 3.09Å; H200-S202 PolarHBondContact O-N 3.47Å; S202-K209 WeakPolarHBondContact OG-CB 3.44Å; S202-K209 PolarHBondContact OG-N 3.31Å; S202-P286 WeakPolarHBondContact CB-O 3.31Å
203R93Very high92.6Very high103 Ų10337.6 Ų37.639%0.38917%0.173SC..  trans-63.1156.7170.1-62.7168.850.5139.7-6.7110.5D205 S206 E285 P286 D288R203-D205 WeakPolarHBondContact CB-OD1 3.09Å; R203-D205 IonicContact CZ-OD1 3.87Å; R203-D205 IonicContact CZ-OD2 2.71Å; R203-D205 IonicContact NE-OD1 3.73Å; R203-D205 PolarHBondContact NE-OD1 2.95Å; R203-D205 IonicContact NE-OD2 3.58Å; R203-D205 IonicContact NH2-OD1 3.01Å; R203-D205 IonicContact NH2-OD2 3.68Å; R203-D205 PolarHBondContact NH2-OD2 3.35Å; R203-D205 PolarHBondContact O-N 3.04Å; R203-S206 VanDerWaalsContact O-CB 3.3Å; R203-S206 WeakPolarHBondContact O-CB 3.32Å; R203-S206 PolarHBondContact O-N 3.48Å; R203-S206 VanDerWaalsContact O-N 3.07Å; R203-E285 WeakPolarHBondContact CD-O 3.19Å; R203-P286 PolarHBondContact N-O 3.18Å; R203-P286 VanDerWaalsContact N-O 3.1Å; R203-D288 HydrophobicContact CG-CB 4.33Å
204K89.1Confident92.7Very high200 Ų20037 Ų3787%0.8717%0.171SC*.THydrogen-bonded Turntrans-62.2-28.3-178.5-67.8-175.2178.9-1780113.8
205D88.1Confident92.8Very high102 Ų10236.9 Ų36.955%0.54517%0.171SC..THydrogen-bonded Turntrans-89.5-4178.755.7-23.4000113.2R203R203-D205 WeakPolarHBondContact CB-OD1 3.09Å; R203-D205 IonicContact CZ-OD1 3.87Å; R203-D205 IonicContact CZ-OD2 2.71Å; R203-D205 IonicContact NE-OD1 3.73Å; R203-D205 PolarHBondContact NE-OD1 2.95Å; R203-D205 IonicContact NE-OD2 3.58Å; R203-D205 IonicContact NH2-OD1 3.01Å; R203-D205 IonicContact NH2-OD2 3.68Å; R203-D205 PolarHBondContact NH2-OD2 3.35Å; R203-D205 PolarHBondContact O-N 3.04Å
206S92.1Very high92.9Very high4 Ų434.7 Ų34.73%0.02816%0.162CC..SBendtrans-81.3134.9179.3-178.60000111.2R203 Y208 K209 P286R203-S206 VanDerWaalsContact O-CB 3.3Å; R203-S206 WeakPolarHBondContact O-CB 3.32Å; R203-S206 PolarHBondContact O-N 3.48Å; R203-S206 VanDerWaalsContact O-N 3.07Å; S206-Y208 PolarHBondContact O-N 3.29Å; S206-Y208 VanDerWaalsContact O-N 3.17Å; S206-Y208 PolarHBondContact OG-N 3.47Å; S206-K209 VanDerWaalsContact O-CB 3.22Å; S206-K209 WeakPolarHBondContact O-CB 3.32Å; S206-K209 PolarHBondContact O-N 2.63Å; S206-P286 WeakPolarHBondContact CB-O 3.47Å; S206-P286 WeakPolarHBondContact OG-CB 3.4Å; S206-P286 PolarHBondContact OG-O 2.96Å; S206-P286 VanDerWaalsContact OG-O 3.1Å
207P93Very high93Very high20 Ų2037.3 Ų37.313%0.1317%0.174CC..G310 helixtrans-56.7-26.7173.4-27.836.6000114.3F90 K209 L210 L281 L368F90-P207 HydrophobicContact CB-CB 3.78Å; F90-P207 HydrophobicContact CD1-CB 3.64Å; F90-P207 HydrophobicContact CD2-CB 3.83Å; F90-P207 HydrophobicContact CE1-CB 4.1Å; F90-P207 HydrophobicContact CE2-CB 4.27Å; F90-P207 HydrophobicContact CG-CB 3.48Å; F90-P207 VanDerWaalsContact CG-CB 3.48Å; F90-P207 HydrophobicContact CZ-CB 4.39Å; P207-K209 PolarHBondContact O-N 2.82Å; P207-L210 WeakPolarHBondContact O-CB 3.45Å; P207-L210 WeakPolarHBondContact O-CG 3.18Å; P207-L210 PolarHBondContact O-N 3.4Å; P207-L281 HydrophobicContact CG-CD2 4.08Å; P207-L368 HydrophobicContact CB-CD1 4.35Å; P207-L368 HydrophobicContact CG-CD1 3.96Å
208Y93.2Very high93Very high9 Ų937.4 Ų37.44%0.03518%0.175CC..G310 helixtrans-59.3-16.1173.1-81.8-81.7000114F90 S206 L210 P286 F287 F363 S366 L368 C369 I371F90-Y208 HydrophobicContact CE1-CD1 4.32Å; F90-Y208 HydrophobicContact CE1-CG 4.32Å; F90-Y208 HydrophobicContact CE2-CD2 4.33Å; F90-Y208 HydrophobicContact CE2-CE2 4.11Å; F90-Y208 AromaticContact CZ-CD1 3.79Å; F90-Y208 HydrophobicContact CZ-CD1 3.79Å; F90-Y208 AromaticContact CZ-CD2 3.8Å; F90-Y208 HydrophobicContact CZ-CD2 3.8Å; F90-Y208 AromaticContact CZ-CE1 3.82Å; F90-Y208 HydrophobicContact CZ-CE1 3.82Å; F90-Y208 AromaticContact CZ-CE2 3.82Å; F90-Y208 HydrophobicContact CZ-CE2 3.82Å; F90-Y208 AromaticContact CZ-CG 3.79Å; F90-Y208 HydrophobicContact CZ-CG 3.79Å; F90-Y208 AromaticContact CZ-CZ 3.84Å; S206-Y208 PolarHBondContact O-N 3.29Å; S206-Y208 VanDerWaalsContact O-N 3.17Å; S206-Y208 PolarHBondContact OG-N 3.47Å; Y208-L210 VanDerWaalsContact C-N 3.31Å; Y208-P286 HydrophobicContact CD2-CB 4.22Å; Y208-F287 HydrophobicContact CD1-CZ 4.16Å; Y208-F287 AromaticContact CD2-CE2 4Å; Y208-F287 HydrophobicContact CD2-CE2 4Å; Y208-F287 HydrophobicContact CD2-CZ 4.36Å; Y208-F287 HydrophobicContact CE2-CE2 4.19Å; Y208-F287 HydrophobicContact CG-CE2 4.18Å; Y208-F287 HydrophobicContact CG-CZ 4.06Å; Y208-F363 HydrophobicContact CD1-CD2 4.4Å; Y208-F363 HydrophobicContact CD1-CE2 4.23Å; Y208-F363 HydrophobicContact CE1-CD2 4.09Å; Y208-F363 HydrophobicContact CE1-CE2 4.23Å; Y208-F363 PolarHBondContact OH-O 3.18Å; Y208-S366 WeakPolarHBondContact OH-CB 3.42Å; Y208-S366 PolarHBondContact OH-OG 3.19Å; Y208-L368 HydrophobicContact CD2-CD1 4.27Å; Y208-L368 HydrophobicContact CE2-CB 4.22Å; Y208-L368 HydrophobicContact CE2-CD1 4.2Å; Y208-C369 VanDerWaalsContact CE2-SG 3.55Å; Y208-I371 HydrophobicContact CE1-CD1 3.87Å
209K92.7Very high93.1Very high65 Ų6537.3 Ų37.328%0.28318%0.175SC..G310 helixtrans-76.7-17.7176.2-156.870.4178.6-170.50112.9H200 S202 S206 P207H200-K209 PolarHBondContact O-NZ 3.1Å; S202-K209 WeakPolarHBondContact OG-CB 3.44Å; S202-K209 PolarHBondContact OG-N 3.31Å; S206-K209 VanDerWaalsContact O-CB 3.22Å; S206-K209 WeakPolarHBondContact O-CB 3.32Å; S206-K209 PolarHBondContact O-N 2.63Å; P207-K209 PolarHBondContact O-N 2.82Å
210L93.8Very high93.1Very high28 Ų2839.6 Ų39.615%0.14718%0.182CC..SBendtrans-73.2146.9-176.8-62.8174.7000111.7I94 Q97 P207 Y208 G212I94-L210 HydrophobicContact CG1-CD2 4.18Å; Q97-L210 HydrophobicContact CG-CD2 4.22Å; P207-L210 WeakPolarHBondContact O-CB 3.45Å; P207-L210 WeakPolarHBondContact O-CG 3.18Å; P207-L210 PolarHBondContact O-N 3.4Å; Y208-L210 VanDerWaalsContact C-N 3.31Å; L210-G212 PolarHBondContact O-N 2.96Å
211F95.1Very high93.1Very high0 Ų041.6 Ų41.60%019%0.192CC..  trans-90.781.5174177.9-123000111.5Q97 G98 F183 Y196 Y213 G214 N215 W532 F533Q97-F211 CarbonylContact C-O 3.57Å; Q97-F211 VanDerWaalsContact C-O 3.26Å; Q97-F211 HydrophobicContact CB-CB 3.98Å; Q97-F211 WeakPolarHBondContact CB-O 3.4Å; G98-F211 PolarHBondContact N-O 2.78Å; G98-F211 VanDerWaalsContact N-O 3.15Å; F183-F211 HydrophobicContact CD2-CE2 4.06Å; F183-F211 AromaticContact CD2-CZ 3.61Å; F183-F211 HydrophobicContact CD2-CZ 3.61Å; F183-F211 AromaticContact CE2-CE2 3.79Å; F183-F211 HydrophobicContact CE2-CE2 3.79Å; F183-F211 AromaticContact CE2-CZ 3.55Å; F183-F211 HydrophobicContact CE2-CZ 3.55Å; F183-F211 HydrophobicContact CG-CZ 4.35Å; F183-F211 HydrophobicContact CZ-CZ 4.25Å; Y196-F211 HydrophobicContact CD1-CD2 4.14Å; Y196-F211 AromaticContact CE1-CD2 3.65Å; Y196-F211 HydrophobicContact CE1-CD2 3.65Å; Y196-F211 HydrophobicContact CE1-CE2 4.41Å; Y196-F211 AromaticContact CZ-CD2 3.9Å; F211-Y213 VanDerWaalsContact CE2-CB 3.49Å; F211-Y213 PolarHBondContact O-N 2.9Å; F211-G214 VanDerWaalsContact CE1-C 3.44Å; F211-N215 HydrophobicContact CE1-CB 4.26Å; F211-W532 HydrophobicContact CB-CD2 3.76Å; F211-W532 VanDerWaalsContact CB-CE2 3.41Å; F211-W532 HydrophobicContact CB-CE3 4.5Å; F211-W532 HydrophobicContact CB-CG 3.91Å; F211-W532 HydrophobicContact CB-CZ2 3.87Å; F211-W532 AromaticContact CD1-CD2 3.6Å; F211-W532 HydrophobicContact CD1-CD2 3.6Å; F211-W532 AromaticContact CD1-CE2 3.96Å; F211-W532 AromaticContact CD1-CE3 3.52Å; F211-W532 HydrophobicContact CD1-CE3 3.52Å; F211-W532 HydrophobicContact CD1-CG 4.13Å; F211-W532 HydrophobicContact CD1-CH2 4.14Å; F211-W532 HydrophobicContact CD1-CZ2 4.22Å; F211-W532 AromaticContact CD1-CZ3 3.81Å; F211-W532 HydrophobicContact CD1-CZ3 3.81Å; F211-W532 HydrophobicContact CD2-CB 3.75Å; F211-W532 AromaticContact CD2-CD1 3.97Å; F211-W532 HydrophobicContact CD2-CD2 4Å; F211-W532 AromaticContact CD2-CG 3.62Å; F211-W532 HydrophobicContact CD2-CG 3.62Å; F211-W532 HydrophobicContact CE1-CD2 4.17Å; F211-W532 AromaticContact CE1-CE3 3.77Å; F211-W532 HydrophobicContact CE1-CE3 3.77Å; F211-W532 HydrophobicContact CE1-CZ3 4.19Å; F211-W532 HydrophobicContact CE2-CB 3.87Å; F211-W532 HydrophobicContact CE2-CG 4.17Å; F211-W532 HydrophobicContact CG-CB 4.22Å; F211-W532 AromaticContact CG-CD1 3.88Å; F211-W532 AromaticContact CG-CD2 3.5Å; F211-W532 HydrophobicContact CG-CD2 3.5Å; F211-W532 AromaticContact CG-CE2 3.73Å; F211-W532 AromaticContact CG-CE3 3.95Å; F211-W532 HydrophobicContact CG-CE3 3.95Å; F211-W532 AromaticContact CG-CG 3.61Å; F211-W532 HydrophobicContact CG-CG 3.61Å; F211-W532 HydrophobicContact CG-CZ2 4.31Å; F211-W532 AromaticContact CG-NE1 3.96Å; F211-W532 HydrophobicContact CZ-CB 4.4Å; F211-W532 HydrophobicContact CZ-CE3 4.41Å; F211-F533 AromaticContact CE2-CE2 3.97Å; F211-F533 HydrophobicContact CE2-CE2 3.97Å
212G93.8Very high93.2Very high7 Ų743.3 Ų43.37%0.07220%0.201CC..THydrogen-bonded Turntrans-68.1-15.2-175.700000116Y196 L210Y196-G212 PolarHBondContact OH-N 2.89Å; L210-G212 PolarHBondContact O-N 2.96Å
213Y92.6Very high93.2Very high46 Ų4643.1 Ų43.118%0.1820%0.199CC..THydrogen-bonded Turntrans-69.2-44.7179.4-142.4-69.8000111.7H101 E182 F183 A186 Y196 F211H101-Y213 PolarHBondContact ND1-O 2.86Å; E182-Y213 HydrophobicContact CB-CE1 4.18Å; E182-Y213 HydrophobicContact CG-CE1 4.01Å; E182-Y213 WeakPolarHBondContact CG-OH 3.02Å; E182-Y213 WeakPolarHBondContact OE1-CE1 3.48Å; E182-Y213 PolarHBondContact OE1-OH 3.04Å; F183-Y213 HydrophobicContact CB-CD1 3.89Å; F183-Y213 HydrophobicContact CB-CE1 4.19Å; F183-Y213 HydrophobicContact CD2-CD1 4.27Å; F183-Y213 HydrophobicContact CD2-CG 4.34Å; A186-Y213 HydrophobicContact CB-CD2 4.41Å; A186-Y213 HydrophobicContact CB-CE1 4.27Å; A186-Y213 HydrophobicContact CB-CE2 3.57Å; Y196-Y213 HydrophobicContact CE2-CD2 4.37Å; Y196-Y213 PolarHBondContact OH-N 3.39Å; F211-Y213 VanDerWaalsContact CE2-CB 3.49Å; F211-Y213 PolarHBondContact O-N 2.9Å
214G94.4Very high93.2Very high0 Ų044.3 Ų44.30%021%0.209CC..  trans76.2153-170.500000114F211 S218F211-G214 VanDerWaalsContact CE1-C 3.44Å; G214-S218 WeakPolarHBondContact CA-OG 3.41Å
215N93.9Very high93.4Very high11 Ų1141.9 Ų41.96%0.05920%0.201CC..  trans-160.6-178.8169.161.320.8000110F183 F211 K217 S218 L219F183-N215 HydrophobicContact CB-CB 4.24Å; F183-N215 HydrophobicContact CD1-CB 3.75Å; F183-N215 HydrophobicContact CE1-CB 4.32Å; F183-N215 WeakPolarHBondContact CE1-ND2 3.5Å; F183-N215 HydrophobicContact CG-CB 4Å; F211-N215 HydrophobicContact CE1-CB 4.26Å; N215-K217 PolarHBondContact O-N 3.06Å; N215-K217 WeakPolarHBondContact OD1-CA 3.37Å; N215-K217 WeakPolarHBondContact OD1-CB 3.35Å; N215-K217 PolarHBondContact OD1-N 3.47Å; N215-S218 PolarHBondContact N-OG 2.89Å; N215-S218 PolarHBondContact O-N 3.33Å; N215-S218 PolarHBondContact O-OG 2.89Å; N215-S218 PolarHBondContact OD1-N 3.46Å; N215-S218 PolarHBondContact OD1-OG 2.92Å; N215-L219 WeakPolarHBondContact O-CB 3.38Å; N215-L219 PolarHBondContact O-N 3.1Å
216C93.1Very high93.7Very high18 Ų1842.2 Ų42.212%0.12220%0.202CC..Hα-helixtrans-54.4-37.2176.5-800000112.7N180 R220 E221N180-C216 HydrophobicContact CB-CB 4.44Å; N180-C216 VanDerWaalsContact CB-SG 3.57Å; N180-C216 PolarHBondContact OD1-N 3.26Å; C216-R220 WeakPolarHBondContact O-CA 3.49Å; C216-R220 VanDerWaalsContact O-CB 3.25Å; C216-R220 WeakPolarHBondContact O-CB 3.33Å; C216-R220 PolarHBondContact O-N 2.78Å; C216-E221 PolarHBondContact O-N 2.85Å
217K94Very high93.7Very high99 Ų9945.3 Ų45.343%0.4324%0.235SC..Iπ-helixtrans-67.1-45.7-179.9-175178.9180-177.40112.2N215 I222N215-K217 PolarHBondContact O-N 3.06Å; N215-K217 WeakPolarHBondContact OD1-CA 3.37Å; N215-K217 WeakPolarHBondContact OD1-CB 3.35Å; N215-K217 PolarHBondContact OD1-N 3.47Å; K217-I222 HydrophobicContact CG-CD1 3.89Å; K217-I222 HydrophobicContact CG-CG1 4.1Å; K217-I222 WeakPolarHBondContact O-CB 3.5Å; K217-I222 WeakPolarHBondContact O-CG1 3.33Å; K217-I222 PolarHBondContact O-N 2.87Å
218S95.7Very high93.7Very high3 Ų346.2 Ų46.22%0.02124%0.24CC..Iπ-helixtrans-80.2-26.4-176.770.70000114.1Q97 G214 N215 P223Q97-S218 VanDerWaalsContact O-CB 3.25Å; Q97-S218 WeakPolarHBondContact O-CB 2.9Å; Q97-S218 PolarHBondContact O-OG 3.3Å; G214-S218 WeakPolarHBondContact CA-OG 3.41Å; N215-S218 PolarHBondContact N-OG 2.89Å; N215-S218 PolarHBondContact O-N 3.33Å; N215-S218 PolarHBondContact O-OG 2.89Å; N215-S218 PolarHBondContact OD1-N 3.46Å; N215-S218 PolarHBondContact OD1-OG 2.92Å; S218-P223 WeakPolarHBondContact O-CD 3.31Å; S218-P223 WeakPolarHBondContact O-CG 3.47Å
219L95.5Very high93.6Very high0 Ų049.7 Ų49.70%026%0.259CS..Iπ-helixtrans-104.8-14.6-176.2-64.8171.5000114.1F102 I176 V179 N215 I230F102-L219 HydrophobicContact CB-CD1 3.93Å; F102-L219 HydrophobicContact CB-CD2 4.36Å; F102-L219 HydrophobicContact CG-CD1 4.23Å; I176-L219 HydrophobicContact CD1-CB 4.49Å; I176-L219 HydrophobicContact CG1-CB 4.44Å; I176-L219 HydrophobicContact CG2-CB 4.5Å; V179-L219 HydrophobicContact CG1-CD1 4.04Å; N215-L219 WeakPolarHBondContact O-CB 3.38Å; N215-L219 PolarHBondContact O-N 3.1Å; L219-I230 HydrophobicContact CD2-CD1 4.22Å; L219-I230 VanDerWaalsContact O-CG1 3.32Å; L219-I230 WeakPolarHBondContact O-CG1 3.42Å
220R92.9Very high93.6Very high51 Ų5147.6 Ų47.619%0.19225%0.251CS..Iπ-helixtrans-128.5-64.6178.8-172.9-175.8-71.5143.4-2.5112.2D173 N177 C216 I222 P223 E224D173-R220 PolarHBondContact O-NH2 3.44Å; D173-R220 IonicContact OD1-CZ 3.69Å; D173-R220 IonicContact OD1-NE 2.77Å; D173-R220 IonicContact OD1-NH2 3.17Å; D173-R220 PolarHBondContact OD1-NH2 2.89Å; N177-R220 PolarHBondContact OD1-NH1 3.45Å; C216-R220 WeakPolarHBondContact O-CA 3.49Å; C216-R220 VanDerWaalsContact O-CB 3.25Å; C216-R220 WeakPolarHBondContact O-CB 3.33Å; C216-R220 PolarHBondContact O-N 2.78Å; R220-I222 PolarHBondContact O-N 3.28Å; R220-P223 WeakPolarHBondContact O-CD 3.33Å; R220-E224 HydrophobicContact CG-CG 4.36Å; R220-E224 VanDerWaalsContact CG-OE1 3.28Å; R220-E224 WeakPolarHBondContact CG-OE1 3.23Å; R220-E224 VanDerWaalsContact O-CB 3.28Å; R220-E224 WeakPolarHBondContact O-CB 3.44Å; R220-E224 VanDerWaalsContact O-CG 3.24Å; R220-E224 WeakPolarHBondContact O-CG 3.38Å; R220-E224 PolarHBondContact O-N 3.24Å
221E93.7Very high93.5Very high91 Ų9149.4 Ų49.443%0.42526%0.257SS..Iπ-helixtrans-63-49.9-168.6-58171.6-163.700113.3C216 Q225C216-E221 PolarHBondContact O-N 2.85Å; E221-Q225 WeakPolarHBondContact O-CB 3.14Å; E221-Q225 WeakPolarHBondContact O-CG 3.46Å; E221-Q225 PolarHBondContact O-N 3.18Å
222I94.2Very high93.4Very high47 Ų4752.5 Ų52.524%0.24128%0.279CS..Hα-helixtrans-66.8-47.3178.4-67.5169.1000110.9K217 R220 E224 Q225 N226 W532K217-I222 HydrophobicContact CG-CD1 3.89Å; K217-I222 HydrophobicContact CG-CG1 4.1Å; K217-I222 WeakPolarHBondContact O-CB 3.5Å; K217-I222 WeakPolarHBondContact O-CG1 3.33Å; K217-I222 PolarHBondContact O-N 2.87Å; R220-I222 PolarHBondContact O-N 3.28Å; I222-E224 PolarHBondContact O-N 3.08Å; I222-Q225 PolarHBondContact O-N 3.5Å; I222-N226 WeakPolarHBondContact O-CB 3.31Å; I222-N226 PolarHBondContact O-N 3.43Å; I222-N226 VanDerWaalsContact O-N 3.1Å; I222-N226 PolarHBondContact O-ND2 3.11Å; I222-W532 HydrophobicContact CD1-CH2 4.08Å
223P94.4Very high93.4Very high1 Ų153.3 Ų53.31%0.00628%0.281CS..Hα-helixtrans-54-49.4172.3-31.236.5000113.8A96 S218 R220 Q225 N226 G227 T228 I230A96-P223 HydrophobicContact CB-CG 4.41Å; S218-P223 WeakPolarHBondContact O-CD 3.31Å; S218-P223 WeakPolarHBondContact O-CG 3.47Å; R220-P223 WeakPolarHBondContact O-CD 3.33Å; P223-Q225 PolarHBondContact O-N 3.16Å; P223-N226 CarbonylContact O-C 3.59Å; P223-N226 PolarHBondContact O-N 3.34Å; P223-N226 VanDerWaalsContact O-N 3.15Å; P223-G227 PolarHBondContact O-N 2.83Å; P223-T228 HydrophobicContact CB-CG2 4.45Å; P223-T228 PolarHBondContact O-N 3.46Å; P223-I230 HydrophobicContact CG-CD1 4.34Å
224E92.9Very high93.4Very high129 Ų12951.1 Ų51.160%0.60327%0.272SS*.Hα-helixtrans-61.5-45.1179.9-76.2176.9173.300112R220 I222 N226 G227R220-E224 HydrophobicContact CG-CG 4.36Å; R220-E224 VanDerWaalsContact CG-OE1 3.28Å; R220-E224 WeakPolarHBondContact CG-OE1 3.23Å; R220-E224 VanDerWaalsContact O-CB 3.28Å; R220-E224 WeakPolarHBondContact O-CB 3.44Å; R220-E224 VanDerWaalsContact O-CG 3.24Å; R220-E224 WeakPolarHBondContact O-CG 3.38Å; R220-E224 PolarHBondContact O-N 3.24Å; I222-E224 PolarHBondContact O-N 3.08Å; E224-N226 PolarHBondContact O-N 2.76Å; E224-G227 PolarHBondContact O-N 3.25Å
225Q93.4Very high93.4Very high149 Ų14952.6 Ų52.670%0.69628%0.28SS*.Hα-helixtrans-59.4-34.2176.3-74.7168.822.800112.3E221 I222 P223E221-Q225 WeakPolarHBondContact O-CB 3.14Å; E221-Q225 WeakPolarHBondContact O-CG 3.46Å; E221-Q225 PolarHBondContact O-N 3.18Å; I222-Q225 PolarHBondContact O-N 3.5Å; P223-Q225 PolarHBondContact O-N 3.16Å
226N93.2Very high93.4Very high108 Ų10858 Ų5858%0.57830%0.303SS*.THydrogen-bonded Turntrans-90.11.6178.2-67.9-31.9000113.6I222 P223 E224 T228I222-N226 WeakPolarHBondContact O-CB 3.31Å; I222-N226 PolarHBondContact O-N 3.43Å; I222-N226 VanDerWaalsContact O-N 3.1Å; I222-N226 PolarHBondContact O-ND2 3.11Å; P223-N226 CarbonylContact O-C 3.59Å; P223-N226 PolarHBondContact O-N 3.34Å; P223-N226 VanDerWaalsContact O-N 3.15Å; E224-N226 PolarHBondContact O-N 2.76Å; N226-T228 VanDerWaalsContact C-N 3.26Å; N226-T228 PolarHBondContact O-N 2.91Å
227G93.2Very high93.4Very high70 Ų7057.6 Ų57.672%0.72230%0.3SS*.THydrogen-bonded Turntrans6724.1-176.500000114.2P223 E224P223-G227 PolarHBondContact O-N 2.83Å; E224-G227 PolarHBondContact O-N 3.25Å
228T91.9Very high93.5Very high38 Ų3854.6 Ų54.623%0.23329%0.286CS..  trans-86.5121177.7-59.40000110.1E95 P223 N226 I230 L233E95-T228 HydrophobicContact CG-CG2 4.24Å; P223-T228 HydrophobicContact CB-CG2 4.45Å; P223-T228 PolarHBondContact O-N 3.46Å; N226-T228 VanDerWaalsContact C-N 3.26Å; N226-T228 PolarHBondContact O-N 2.91Å; T228-I230 PolarHBondContact O-N 3.29Å; T228-L233 HydrophobicContact CG2-CD2 3.98Å
229D92.3Very high93.3Very high82 Ų8260.4 Ų60.444%0.43931%0.31SS..  trans-79.1102173.3176.819.5000110.6Y231 S232 L233D229-Y231 PolarHBondContact O-N 3.46Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.42Å; D229-Y231 PolarHBondContact OD1-N 2.85Å; D229-S232 PolarHBondContact O-N 2.91Å; D229-S232 WeakPolarHBondContact OD2-CB 3.3Å; D229-S232 PolarHBondContact OD2-N 3.14Å; D229-S232 PolarHBondContact OD2-OG 2.64Å; D229-L233 PolarHBondContact O-N 2.71Å
230I92.1Very high93.2Very high22 Ų2263 Ų6311%0.11332%0.324CS..Hα-helixtrans-57.8-35.4-178.7-165.467.2000112.1A96 L99 F102 T172 L219 P223 T228 L233 L234A96-I230 HydrophobicContact CB-CD1 3.57Å; L99-I230 HydrophobicContact CD1-CD1 3.86Å; L99-I230 HydrophobicContact CD1-CG1 4.46Å; F102-I230 HydrophobicContact CE1-CG1 4.48Å; T172-I230 HydrophobicContact CG2-CG2 4.49Å; L219-I230 HydrophobicContact CD2-CD1 4.22Å; L219-I230 VanDerWaalsContact O-CG1 3.32Å; L219-I230 WeakPolarHBondContact O-CG1 3.42Å; P223-I230 HydrophobicContact CG-CD1 4.34Å; T228-I230 PolarHBondContact O-N 3.29Å; I230-L233 PolarHBondContact O-N 3.06Å; I230-L234 WeakPolarHBondContact O-CB 3.45Å; I230-L234 PolarHBondContact O-N 2.92Å
231Y91.1Very high93.2Very high65 Ų6562 Ų6226%0.25532%0.322SS..Hα-helixtrans-67.9-44.7-178.8179-87.8000111.7L167 K169 D229 L233 L234 N235L167-Y231 WeakPolarHBondContact O-CE2 3.23Å; L167-Y231 PolarHBondContact O-OH 3.42Å; K169-Y231 HydrophobicContact CB-CD2 4.12Å; K169-Y231 HydrophobicContact CB-CE2 3.82Å; K169-Y231 HydrophobicContact CG-CD2 4.25Å; K169-Y231 HydrophobicContact CG-CE2 4.43Å; D229-Y231 PolarHBondContact O-N 3.46Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.42Å; D229-Y231 PolarHBondContact OD1-N 2.85Å; Y231-L233 VanDerWaalsContact C-N 3.3Å; Y231-L233 PolarHBondContact O-N 2.99Å; Y231-L234 PolarHBondContact O-N 3.17Å; Y231-N235 WeakPolarHBondContact CE1-ND2 3.46Å; Y231-N235 PolarHBondContact O-N 2.93Å; Y231-N235 VanDerWaalsContact O-N 3.08Å; Y231-N235 PolarHBondContact O-ND2 3.49Å
232S92.4Very high93.2Very high66 Ų6657.8 Ų57.846%0.46230%0.302SS..Hα-helixtrans-64.2-37.8174.5-73.30000111.5D229 K236D229-S232 PolarHBondContact O-N 2.91Å; D229-S232 WeakPolarHBondContact OD2-CB 3.3Å; D229-S232 PolarHBondContact OD2-N 3.14Å; D229-S232 PolarHBondContact OD2-OG 2.64Å; S232-K236 WeakPolarHBondContact O-CB 3.44Å; S232-K236 PolarHBondContact O-N 3.46Å
233L93.7Very high93.3Very high23 Ų2355.6 Ų55.612%0.1229%0.29CS..Hα-helixtrans-68-43.4178.7-165.462.2000111.7P93 E95 A96 L99 T228 D229 I230 Y231 N235 K236 H237P93-L233 HydrophobicContact CB-CD2 4.34Å; P93-L233 HydrophobicContact CG-CD1 4.26Å; P93-L233 HydrophobicContact CG-CD2 3.64Å; P93-L233 HydrophobicContact CG-CG 4.03Å; E95-L233 HydrophobicContact CG-CD2 4.07Å; A96-L233 HydrophobicContact CB-CD2 3.55Å; L99-L233 HydrophobicContact CD2-CB 4.45Å; L99-L233 HydrophobicContact CD2-CD2 4.12Å; L99-L233 HydrophobicContact CD2-CG 3.74Å; T228-L233 HydrophobicContact CG2-CD2 3.98Å; D229-L233 PolarHBondContact O-N 2.71Å; I230-L233 PolarHBondContact O-N 3.06Å; Y231-L233 VanDerWaalsContact C-N 3.3Å; Y231-L233 PolarHBondContact O-N 2.99Å; L233-N235 PolarHBondContact O-N 3.42Å; L233-K236 WeakPolarHBondContact O-CB 3.42Å; L233-K236 PolarHBondContact O-N 3.18Å; L233-H237 WeakPolarHBondContact O-CB 3.48Å; L233-H237 PolarHBondContact O-N 3.48Å
234L94.6Very high93.3Very high0 Ų055.5 Ų55.50%029%0.29CS..Hα-helixtrans-56.7-49.3173.5-174.573.5000111.7L99 F102 L103 M106 L167 I230 Y231 K236 H237 R238L99-L234 HydrophobicContact CD1-CB 4.16Å; L99-L234 HydrophobicContact CD1-CD1 3.8Å; L99-L234 HydrophobicContact CG-CD1 4.34Å; F102-L234 HydrophobicContact CD1-CD1 3.85Å; F102-L234 HydrophobicContact CD1-CD2 4.39Å; F102-L234 HydrophobicContact CE1-CD1 4.29Å; F102-L234 HydrophobicContact CE1-CD2 4.01Å; L103-L234 HydrophobicContact CB-CD1 3.67Å; L103-L234 HydrophobicContact CD1-CD1 3.91Å; L103-L234 HydrophobicContact CD1-CG 4.15Å; L103-L234 HydrophobicContact CG-CD1 4.34Å; M106-L234 HydrophobicContact CB-CD2 4.13Å; M106-L234 HydrophobicContact CE-CD2 4.48Å; M106-L234 HydrophobicContact CG-CD2 3.87Å; L167-L234 HydrophobicContact CB-CD2 4.44Å; L167-L234 HydrophobicContact CD1-CD2 4.32Å; L167-L234 HydrophobicContact CD1-CG 4.34Å; L167-L234 HydrophobicContact CD2-CD2 4.37Å; I230-L234 WeakPolarHBondContact O-CB 3.45Å; I230-L234 PolarHBondContact O-N 2.92Å; Y231-L234 PolarHBondContact O-N 3.17Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 2.89Å; L234-H237 WeakPolarHBondContact O-CB 3.3Å; L234-H237 PolarHBondContact O-N 2.87Å; L234-R238 PolarHBondContact O-N 3.11Å
235N93.7Very high93.4Very high32 Ų3252 Ų5217%0.17127%0.273CS..Hα-helixtrans-61.3-40.6177.3-89.6-75.5000112.6Y231 L233 K239Y231-N235 WeakPolarHBondContact CE1-ND2 3.46Å; Y231-N235 PolarHBondContact O-N 2.93Å; Y231-N235 VanDerWaalsContact O-N 3.08Å; Y231-N235 PolarHBondContact O-ND2 3.49Å; L233-N235 PolarHBondContact O-N 3.42Å; N235-K239 WeakPolarHBondContact O-CB 3.48Å; N235-K239 VanDerWaalsContact O-CG 3.28Å; N235-K239 WeakPolarHBondContact O-CG 3.03Å; N235-K239 PolarHBondContact O-N 2.95Å; N235-K239 VanDerWaalsContact O-N 3.07Å
236K93.8Very high93.4Very high125 Ų12545.2 Ų45.254%0.54324%0.241SC..Hα-helixtrans-66.3-43175.8-177.2-176.9176.2-170.70111.1S232 L233 L234 K239 N240S232-K236 WeakPolarHBondContact O-CB 3.44Å; S232-K236 PolarHBondContact O-N 3.46Å; L233-K236 WeakPolarHBondContact O-CB 3.42Å; L233-K236 PolarHBondContact O-N 3.18Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 2.89Å; K236-K239 PolarHBondContact O-N 2.78Å; K236-N240 WeakPolarHBondContact O-CB 3.26Å; K236-N240 PolarHBondContact O-N 2.92Å; K236-N240 PolarHBondContact O-ND2 2.77Å
237H93.9Very high93.6Very high9 Ų940 Ų404%0.04221%0.214CC..Hα-helixtrans-58.2-51.6177.6-164.169000110.9S91 D92 L99 S100 L233 L234 K239 N240 F241S91-H237 PolarHBondContact O-CE1 2.85Å; D92-H237 IonicContact OD1-NE2 3.71Å; L99-H237 HydrophobicContact CD2-CB 3.73Å; L99-H237 HydrophobicContact CG-CB 4.37Å; S100-H237 PolarHBondContact OG-NE2 3.04Å; L233-H237 WeakPolarHBondContact O-CB 3.48Å; L233-H237 PolarHBondContact O-N 3.48Å; L234-H237 WeakPolarHBondContact O-CB 3.3Å; L234-H237 PolarHBondContact O-N 2.87Å; H237-K239 PolarHBondContact O-N 2.81Å; H237-N240 PolarHBondContact O-N 2.75Å; H237-N240 VanDerWaalsContact O-N 3.16Å; H237-F241 AromaticContact CE1-CD2 3.45Å; H237-F241 VanDerWaalsContact CE1-CD2 3.45Å; H237-F241 WeakPolarHBondContact CE1-CD2 3.33Å; H237-F241 AromaticContact CE1-CE2 3.47Å; H237-F241 VanDerWaalsContact CE1-CE2 3.47Å; H237-F241 WeakPolarHBondContact CE1-CE2 3.35Å; H237-F241 AromaticContact CG-CD2 3.91Å; H237-F241 AromaticContact ND1-CD2 3.37Å; H237-F241 WeakPolarHBondContact ND1-CD2 3.48Å; H237-F241 AromaticContact ND1-CE2 3.31Å; H237-F241 VanDerWaalsContact ND1-CE2 3.31Å; H237-F241 WeakPolarHBondContact ND1-CE2 3.35Å; H237-F241 AromaticContact NE2-CD2 3.99Å; H237-F241 VanDerWaalsContact O-CD2 3.28Å; H237-F241 WeakPolarHBondContact O-CD2 3.31Å; H237-F241 PolarHBondContact O-N 3.48Å
238R94.3Very high93.8Very high36 Ų3636.7 Ų36.714%0.13618%0.179CC..Hα-helixtrans-54.6-52.5174.1-169.5-156.47287.1-6.8112L103 P165 L167 L234 N240 F241 Y242L103-R238 HydrophobicContact CD1-CB 4Å; L103-R238 HydrophobicContact CD1-CG 4.25Å; L103-R238 HydrophobicContact CD2-CB 3.84Å; L103-R238 HydrophobicContact CD2-CG 4.25Å; P165-R238 VanDerWaalsContact CG-CD 3.43Å; L167-R238 HydrophobicContact CD1-CB 4.38Å; L234-R238 PolarHBondContact O-N 3.11Å; R238-N240 PolarHBondContact O-N 3.02Å; R238-F241 PolarHBondContact O-N 3.46Å; R238-Y242 HydrophobicContact CG-CD2 4.15Å; R238-Y242 HydrophobicContact CG-CG 4.08Å; R238-Y242 WeakPolarHBondContact O-CB 3.44Å; R238-Y242 PolarHBondContact O-N 3.41Å
239K92.8Very high94.1Very high124 Ų12434.9 Ų34.954%0.53917%0.168SC..Hα-helixtrans-62.7-20.9-178.2-77.4177-179177.70114.1N235 K236 H237 I274N235-K239 WeakPolarHBondContact O-CB 3.48Å; N235-K239 VanDerWaalsContact O-CG 3.28Å; N235-K239 WeakPolarHBondContact O-CG 3.03Å; N235-K239 PolarHBondContact O-N 2.95Å; N235-K239 VanDerWaalsContact O-N 3.07Å; K236-K239 PolarHBondContact O-N 2.78Å; H237-K239 PolarHBondContact O-N 2.81Å; K239-I274 WeakPolarHBondContact O-CD1 3.38Å
240N91.9Very high94.4Very high54 Ų5431 Ų3129%0.28915%0.147SC..Hα-helixtrans-92.5-32.4179.5-71.9-11.1000112.6K236 H237 R238 L276K236-N240 WeakPolarHBondContact O-CB 3.26Å; K236-N240 PolarHBondContact O-N 2.92Å; K236-N240 PolarHBondContact O-ND2 2.77Å; H237-N240 PolarHBondContact O-N 2.75Å; H237-N240 VanDerWaalsContact O-N 3.16Å; R238-N240 PolarHBondContact O-N 3.02Å; N240-L276 HydrophobicContact CB-CD1 4.15Å
241F93Very high94.7Very high32 Ų3230 Ų3014%0.1414%0.142CC..Hα-helixtrans-118.8-28.1-166.4-62.1-63000115.7V87 H237 R238 S243 R246 T279V87-F241 HydrophobicContact CB-CB 4.05Å; V87-F241 HydrophobicContact CG1-CB 4.09Å; V87-F241 HydrophobicContact CG2-CB 3.71Å; V87-F241 HydrophobicContact CG2-CD1 4.04Å; V87-F241 HydrophobicContact CG2-CD2 4.22Å; V87-F241 HydrophobicContact CG2-CG 3.74Å; H237-F241 AromaticContact CE1-CD2 3.45Å; H237-F241 VanDerWaalsContact CE1-CD2 3.45Å; H237-F241 WeakPolarHBondContact CE1-CD2 3.33Å; H237-F241 AromaticContact CE1-CE2 3.47Å; H237-F241 VanDerWaalsContact CE1-CE2 3.47Å; H237-F241 WeakPolarHBondContact CE1-CE2 3.35Å; H237-F241 AromaticContact CG-CD2 3.91Å; H237-F241 AromaticContact ND1-CD2 3.37Å; H237-F241 WeakPolarHBondContact ND1-CD2 3.48Å; H237-F241 AromaticContact ND1-CE2 3.31Å; H237-F241 VanDerWaalsContact ND1-CE2 3.31Å; H237-F241 WeakPolarHBondContact ND1-CE2 3.35Å; H237-F241 AromaticContact NE2-CD2 3.99Å; H237-F241 VanDerWaalsContact O-CD2 3.28Å; H237-F241 WeakPolarHBondContact O-CD2 3.31Å; H237-F241 PolarHBondContact O-N 3.48Å; R238-F241 PolarHBondContact O-N 3.46Å; F241-S243 PolarHBondContact O-N 2.52Å; F241-R246 WeakPolarHBondContact O-CD 3.34Å; F241-T279 WeakPolarHBondContact CE1-OG1 3.35Å
242Y94.9Very high95Very high2 Ų227.1 Ų27.11%0.00813%0.131CC..  trans-81.375.7178.8-81.432.9000109.3I85 V87 L103 V107 F142 F162 R238I85-Y242 HydrophobicContact CD1-CD1 3.96Å; I85-Y242 HydrophobicContact CD1-CD2 3.86Å; I85-Y242 HydrophobicContact CD1-CE1 3.8Å; I85-Y242 HydrophobicContact CD1-CE2 3.71Å; I85-Y242 HydrophobicContact CD1-CG 3.99Å; V87-Y242 HydrophobicContact CG1-CD1 4.23Å; V87-Y242 HydrophobicContact CG1-CE1 4.03Å; L103-Y242 HydrophobicContact CD2-CD1 3.88Å; L103-Y242 HydrophobicContact CD2-CE1 3.42Å; L103-Y242 VanDerWaalsContact CD2-CE1 3.42Å; L103-Y242 HydrophobicContact CD2-CE2 4.13Å; L103-Y242 HydrophobicContact CD2-CG 4.42Å; L103-Y242 HydrophobicContact CG-CE1 4.16Å; L103-Y242 HydrophobicContact CG-CE2 4.2Å; V107-Y242 HydrophobicContact CG1-CE2 4.02Å; F142-Y242 HydrophobicContact CZ-CE2 4.43Å; F162-Y242 HydrophobicContact CD1-CD2 4.19Å; F162-Y242 HydrophobicContact CD1-CE2 4.31Å; R238-Y242 HydrophobicContact CG-CD2 4.15Å; R238-Y242 HydrophobicContact CG-CG 4.08Å; R238-Y242 WeakPolarHBondContact O-CB 3.44Å; R238-Y242 PolarHBondContact O-N 3.41Å
243S95.1Very high95.1Very high0 Ų024 Ų240%011%0.109CC..  trans-118.5135.6-174.1-150.90000111.4F241 E245 R246 M247 P272 I274F241-S243 PolarHBondContact O-N 2.52Å; S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 VanDerWaalsContact CB-OE2 3.28Å; S243-E245 WeakPolarHBondContact CB-OE2 3.42Å; S243-E245 PolarHBondContact O-N 3.49Å; S243-E245 PolarHBondContact OG-OE1 3.42Å; S243-E245 PolarHBondContact OG-OE2 3.34Å; S243-R246 WeakPolarHBondContact O-CB 3.37Å; S243-R246 PolarHBondContact O-N 3.11Å; S243-M247 WeakPolarHBondContact O-CG 3.23Å; S243-P272 WeakPolarHBondContact CA-O 3.45Å; S243-I274 VanDerWaalsContact OG-CB 3.23Å; S243-I274 WeakPolarHBondContact OG-CB 3.49Å; S243-I274 WeakPolarHBondContact OG-CG1 3.39Å; S243-I274 PolarHBondContact OG-N 2.83Å
244S96.2Very high94.9Very high0 Ų023.4 Ų23.40%011%0.106CC..G310 helixtrans-57.1-35.3-176.438.20000114N26 L28 R246 M247 I271 P272 K273N26-S244 WeakPolarHBondContact CB-OG 3.33Å; N26-S244 PolarHBondContact O-OG 3.48Å; L28-S244 WeakPolarHBondContact CA-O 3.38Å; S244-R246 PolarHBondContact O-N 3Å; S244-R246 VanDerWaalsContact O-N 3.14Å; S244-M247 WeakPolarHBondContact O-CB 3.31Å; S244-M247 PolarHBondContact O-N 2.89Å; S244-I271 PolarHBondContact OG-O 3Å; S244-I271 VanDerWaalsContact OG-O 3.09Å; S244-P272 PolarHBondContact N-O 3.03Å; S244-P272 PolarHBondContact OG-O 2.67Å; S244-K273 WeakPolarHBondContact OG-CA 3.44Å; S244-K273 PolarHBondContact OG-N 3.32Å
245E93.4Very high94.7Very high54 Ų5424.1 Ų24.125%0.25211%0.109SC..G310 helixtrans-68.1-11.6177.676.1-81.6-167.800114.5S243 K273 G275S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 VanDerWaalsContact CB-OE2 3.28Å; S243-E245 WeakPolarHBondContact CB-OE2 3.42Å; S243-E245 PolarHBondContact O-N 3.49Å; S243-E245 PolarHBondContact OG-OE1 3.42Å; S243-E245 PolarHBondContact OG-OE2 3.34Å; E245-K273 WeakPolarHBondContact OE2-CG 3.37Å; E245-G275 PolarHBondContact OE1-N 3.36Å
246R94.4Very high94.6Very high7 Ų726.6 Ų26.63%0.02612%0.119CC..G310 helixtrans-99.4-0.7174.8-60.2179.1-179-126.33.8112.5I85 K86 F241 S243 S244 L276 P277 H473I85-R246 HydrophobicContact CG2-CB 4.4Å; K86-R246 HydrophobicContact CB-CB 4.43Å; K86-R246 PolarHBondContact N-O 3.17Å; F241-R246 WeakPolarHBondContact O-CD 3.34Å; S243-R246 WeakPolarHBondContact O-CB 3.37Å; S243-R246 PolarHBondContact O-N 3.11Å; S244-R246 PolarHBondContact O-N 3Å; S244-R246 VanDerWaalsContact O-N 3.14Å; R246-L276 PolarHBondContact NH2-O 3.47Å; R246-P277 PolarHBondContact NH2-O 3.12Å; R246-H473 PolarHBondContact O-CE1 2.7Å
247M97.1Very high94.6Very high0 Ų021.9 Ų21.90%010%0.1CC..EExtended strand (participates in β ladder)trans-101.3144-173.5-62.9177.6-178.300111.4L28 R29 L83 C84 I85 F162 S243 S244 I271L28-M247 HydrophobicContact CD1-CB 4.02Å; L28-M247 HydrophobicContact CD1-SD 4.42Å; L28-M247 HydrophobicContact CG-CB 4.22Å; R29-M247 PolarHBondContact N-O 2.85Å; L83-M247 HydrophobicContact CD1-SD 4.08Å; L83-M247 HydrophobicContact CD2-CB 4.31Å; L83-M247 HydrophobicContact CD2-CG 4.01Å; L83-M247 HydrophobicContact CD2-SD 3.95Å; L83-M247 HydrophobicContact CG-CB 4.45Å; C84-M247 WeakPolarHBondContact O-CA 3.29Å; I85-M247 HydrophobicContact CD1-CE 4.05Å; I85-M247 HydrophobicContact CG1-CE 4.28Å; I85-M247 HydrophobicContact CG1-CG 4.17Å; I85-M247 HydrophobicContact CG2-CE 4.46Å; I85-M247 HydrophobicContact CG2-CG 4.26Å; F162-M247 HydrophobicContact CB-CE 4.12Å; F162-M247 HydrophobicContact CB-SD 4.5Å; F162-M247 HydrophobicContact CD1-CE 4.36Å; F162-M247 HydrophobicContact CG-CE 4.44Å; S243-M247 WeakPolarHBondContact O-CG 3.23Å; S244-M247 WeakPolarHBondContact O-CB 3.31Å; S244-M247 PolarHBondContact O-N 2.89Å; M247-I271 HydrophobicContact CE-CG2 3.99Å; M247-I271 HydrophobicContact SD-CD1 4.05Å; M247-I271 HydrophobicContact SD-CG2 3.76Å
248T98.1Very high94.7Very high0 Ų026.1 Ų26.10%012%0.123CC..EExtended strand (participates in β ladder)trans-119.7143.2162.648.40000108.8R29 L83 C84 A469 L472 H473R29-T248 HydrophobicContact CB-CG2 4.34Å; R29-T248 VanDerWaalsContact NH2-CG2 3.3Å; R29-T248 CarbonylContact O-C 3.33Å; R29-T248 WeakPolarHBondContact O-CA 3.41Å; L83-T248 CarbonylContact C-O 3.5Å; L83-T248 VanDerWaalsContact CA-O 3.31Å; L83-T248 WeakPolarHBondContact CA-O 3.35Å; C84-T248 PolarHBondContact N-O 2.72Å; C84-T248 PolarHBondContact O-N 3.18Å; C84-T248 PolarHBondContact O-OG1 2.98Å; T248-A469 WeakPolarHBondContact CB-O 3.22Å; T248-A469 PolarHBondContact OG1-O 3.45Å; T248-L472 HydrophobicContact CG2-CB 3.47Å; T248-L472 VanDerWaalsContact CG2-CB 3.47Å; T248-L472 HydrophobicContact CG2-CD1 4.34Å; T248-H473 PolarHBondContact OG1-CD2 2.93Å; T248-H473 PolarHBondContact OG1-NE2 3.38Å
249L98.5Very high94.7Very high0 Ų027.2 Ų27.20%013%0.131CC..EExtended strand (participates in β ladder)trans-126.5138.6-179.8175.670.4000109.5L28 R29 A30 I31 A82 L83 V251 V264 F268L28-L249 HydrophobicContact CD2-CB 3.8Å; L28-L249 HydrophobicContact CD2-CD2 4.14Å; R29-L249 PolarHBondContact O-N 3.37Å; A30-L249 CarbonylContact C-O 3.42Å; A30-L249 WeakPolarHBondContact CA-O 3.44Å; A30-L249 HydrophobicContact CB-CB 3.93Å; A30-L249 HydrophobicContact CB-CD2 4.11Å; A30-L249 HydrophobicContact CB-CG 4.32Å; I31-L249 PolarHBondContact N-O 3.36Å; A82-L249 CarbonylContact O-C 3.56Å; A82-L249 WeakPolarHBondContact O-CA 3.43Å; A82-L249 WeakPolarHBondContact O-CD1 3.48Å; L83-L249 HydrophobicContact CB-CD1 4.23Å; L83-L249 HydrophobicContact CD1-CD1 4.48Å; L249-V251 HydrophobicContact CD1-CG2 4.1Å; L249-V251 HydrophobicContact CD2-CG2 4.07Å; L249-V251 HydrophobicContact CG-CG2 3.99Å; L249-V264 HydrophobicContact CD2-CG1 3.69Å; L249-V264 HydrophobicContact CD2-CG2 4.34Å; L249-F268 HydrophobicContact CD1-CE1 3.91Å; L249-F268 HydrophobicContact CD1-CE2 4.33Å; L249-F268 HydrophobicContact CD1-CZ 3.75Å; L249-F268 HydrophobicContact CD2-CD1 4.02Å; L249-F268 HydrophobicContact CD2-CD2 3.68Å; L249-F268 HydrophobicContact CD2-CE1 4.03Å; L249-F268 HydrophobicContact CD2-CE2 3.65Å; L249-F268 HydrophobicContact CD2-CG 3.88Å; L249-F268 HydrophobicContact CD2-CZ 3.84Å; L249-F268 HydrophobicContact CG-CZ 4.49Å
250A98.3Very high94.8Very high0 Ų021.3 Ų21.30%011%0.106CC..EExtended strand (participates in β ladder)trans-122.6135.3165.500000109.1I31 A81 A82 V465 L468 A469I31-A250 HydrophobicContact CG2-CB 3.68Å; I31-A250 WeakPolarHBondContact O-CA 3.44Å; A81-A250 CarbonylContact C-O 3.54Å; A81-A250 WeakPolarHBondContact CA-O 3.39Å; A82-A250 PolarHBondContact N-O 3.06Å; A82-A250 PolarHBondContact O-N 2.99Å; A250-V465 HydrophobicContact CB-CB 3.82Å; A250-V465 HydrophobicContact CB-CG1 4.14Å; A250-V465 VanDerWaalsContact CB-O 3.27Å; A250-V465 WeakPolarHBondContact CB-O 3.35Å; A250-L468 HydrophobicContact CB-CB 3.75Å; A250-A469 HydrophobicContact CB-CB 4.14Å
251V98.1Very high95Very high0 Ų020.7 Ų20.70%010%0.101CC..EExtended strand (participates in β ladder)trans-131.9124.8-179.8163.70000108.9I31 L32 V33 A81 F151 L155 L249 L260 V264I31-V251 PolarHBondContact O-N 3.03Å; L32-V251 CarbonylContact C-O 3.32Å; L32-V251 HydrophobicContact CD2-CB 4.27Å; V33-V251 PolarHBondContact N-O 2.89Å; A81-V251 HydrophobicContact CB-CG2 3.99Å; F151-V251 HydrophobicContact CE1-CG1 3.65Å; F151-V251 HydrophobicContact CZ-CG1 3.66Å; L155-V251 HydrophobicContact CD1-CG2 4.31Å; L249-V251 HydrophobicContact CD1-CG2 4.1Å; L249-V251 HydrophobicContact CD2-CG2 4.07Å; L249-V251 HydrophobicContact CG-CG2 3.99Å; V251-L260 HydrophobicContact CG1-CD2 3.89Å; V251-V264 HydrophobicContact CB-CG2 4.3Å; V251-V264 HydrophobicContact CG1-CG2 4.38Å; V251-V264 HydrophobicContact CG2-CG2 3.87Å
252Q96.3Very high95.2Very high6 Ų623.8 Ų23.83%0.02812%0.123CC..EExtended strand (participates in β ladder)trans-121.8129.3176.5-179.9171.2-31.200111V33 S79 A80 A461 T464 V465V33-Q252 HydrophobicContact CB-CB 3.92Å; V33-Q252 HydrophobicContact CB-CG 3.99Å; V33-Q252 HydrophobicContact CG1-CB 4.45Å; V33-Q252 HydrophobicContact CG1-CG 4.01Å; V33-Q252 VanDerWaalsContact O-CA 3.31Å; V33-Q252 WeakPolarHBondContact O-CA 3.23Å; S79-Q252 CarbonylContact C-O 3.58Å; S79-Q252 WeakPolarHBondContact CA-O 3.26Å; S79-Q252 WeakPolarHBondContact CB-O 3.08Å; A80-Q252 PolarHBondContact N-O 2.99Å; A80-Q252 PolarHBondContact O-N 3.38Å; Q252-A461 HydrophobicContact CG-CB 4.31Å; Q252-T464 VanDerWaalsContact OE1-CB 3.22Å; Q252-V465 HydrophobicContact CB-CG1 3.61Å
253S94.4Very high95.3Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-159.4165.4175-1650000112.9V33 S34 N35 S79 H255V33-S253 PolarHBondContact O-N 3.21Å; S34-S253 WeakPolarHBondContact CA-O 3.4Å; N35-S253 PolarHBondContact N-O 3.16Å; S79-S253 WeakPolarHBondContact CB-OG 3.44Å; S79-S253 WeakPolarHBondContact OG-CB 3.22Å; S79-S253 PolarHBondContact OG-OG 3.23Å; S253-H255 PolarHBondContact O-N 2.97Å; S253-H255 VanDerWaalsContact O-N 3.12Å; S253-H255 PolarHBondContact OG-ND1 3Å
254K89.8Confident95.4Very high11 Ų1124.4 Ų24.45%0.04813%0.126CC..SBendtrans-84.350.7170.4-162.5-178-176.5-174.80110.7L36 E40 P43 D74 R148L36-K254 HydrophobicContact CD2-CG 3.61Å; L36-K254 HydrophobicContact CG-CG 4.36Å; E40-K254 WeakPolarHBondContact OE1-CE 3.46Å; E40-K254 IonicContact OE1-NZ 2.83Å; E40-K254 PolarHBondContact OE1-NZ 3.24Å; E40-K254 WeakPolarHBondContact OE2-CE 3.43Å; P43-K254 HydrophobicContact CG-CD 4.5Å; D74-K254 IonicContact OD1-NZ 2.69Å; D74-K254 PolarHBondContact OD1-NZ 2.87Å; D74-K254 IonicContact OD2-NZ 3.53Å; D74-K254 PolarHBondContact OD2-NZ 3.08Å; R148-K254 HydrophobicContact CG-CB 4.45Å
255H90Very high95.5Very high14 Ų1428.3 Ų28.37%0.06514%0.141CC..SBendtrans-119.6160.4173.7-73.190.8000109.2S34 S253 D259 L260S34-H255 WeakPolarHBondContact CB-O 3.42Å; S34-H255 PolarHBondContact OG-O 2.88Å; S253-H255 PolarHBondContact O-N 2.97Å; S253-H255 VanDerWaalsContact O-N 3.12Å; S253-H255 PolarHBondContact OG-ND1 3Å; H255-D259 HydrophobicContact CB-CB 4.43Å; H255-L260 HydrophobicContact CB-CD2 3.94Å; H255-L260 HydrophobicContact CB-CG 3.88Å
256H92.3Very high95.6Very high84 Ų8430.9 Ų30.939%0.38915%0.151SC..  trans-67.1152.5170.6-64.5-76000110.6L36 D258 D259 L260L36-H256 WeakPolarHBondContact CD1-ND1 3.43Å; H256-D258 PolarHBondContact O-N 3.45Å; H256-D259 WeakPolarHBondContact CB-OD2 3.39Å; H256-D259 IonicContact CD2-OD2 3.41Å; H256-D259 IonicContact CG-OD2 2.77Å; H256-D259 PolarHBondContact N-OD2 2.98Å; H256-D259 PolarHBondContact O-N 3.39Å; H256-L260 PolarHBondContact O-N 3.23Å
257L94.2Very high95.7Very high26 Ų2631 Ų3114%0.13615%0.152CC..Hα-helixtrans-60.8-32179.6-71.9172.9000112.5R20 L32 E261R20-L257 HydrophobicContact CB-CD1 4.2Å; R20-L257 HydrophobicContact CB-CD2 4.18Å; L32-L257 HydrophobicContact CB-CD2 3.92Å; L257-E261 WeakPolarHBondContact O-CB 3.4Å; L257-E261 PolarHBondContact O-N 2.54Å
258D95Very high95.8Very high98 Ų9831 Ų3152%0.52415%0.152SC..Hα-helixtrans-66.5-44.2176.9-64.2-32.6000111.5R20 H256 E261 V262R20-D258 IonicContact CZ-OD1 3.65Å; R20-D258 IonicContact NH1-OD1 3.6Å; R20-D258 PolarHBondContact NH1-OD1 2.98Å; R20-D258 IonicContact NH2-OD1 2.66Å; R20-D258 PolarHBondContact NH2-OD1 3.35Å; H256-D258 PolarHBondContact O-N 3.45Å; D258-E261 PolarHBondContact O-N 2.74Å; D258-V262 WeakPolarHBondContact O-CG2 3.24Å; D258-V262 PolarHBondContact O-N 3.12Å
259D94.1Very high95.7Very high59 Ų5933.4 Ų33.432%0.31617%0.169SC..Hα-helixtrans-63.3-43.7176.9-56.5-32000111.3L47 H255 H256 E261 V262 L263L47-D259 HydrophobicContact CD1-CB 3.85Å; H255-D259 HydrophobicContact CB-CB 4.43Å; H256-D259 WeakPolarHBondContact CB-OD2 3.39Å; H256-D259 IonicContact CD2-OD2 3.41Å; H256-D259 IonicContact CG-OD2 2.77Å; H256-D259 PolarHBondContact N-OD2 2.98Å; H256-D259 PolarHBondContact O-N 3.39Å; D259-E261 VanDerWaalsContact C-N 3.31Å; D259-E261 PolarHBondContact O-N 3.05Å; D259-V262 PolarHBondContact O-N 3.44Å; D259-L263 VanDerWaalsContact O-CB 3.29Å; D259-L263 WeakPolarHBondContact O-CB 3.35Å; D259-L263 PolarHBondContact O-N 2.95Å
260L95.6Very high95.5Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-61.7-39.7175.5-72.8-179.6000112L32 F151 V251 H255 H256 L263 V264L32-L260 HydrophobicContact CB-CB 4.41Å; L32-L260 HydrophobicContact CB-CD1 4.5Å; L32-L260 HydrophobicContact CD1-CB 4.11Å; L32-L260 HydrophobicContact CD2-CB 4.44Å; F151-L260 HydrophobicContact CE1-CD2 4.37Å; V251-L260 HydrophobicContact CG1-CD2 3.89Å; H255-L260 HydrophobicContact CB-CD2 3.94Å; H255-L260 HydrophobicContact CB-CG 3.88Å; H256-L260 PolarHBondContact O-N 3.23Å; L260-L263 PolarHBondContact O-N 3.39Å; L260-V264 WeakPolarHBondContact O-CB 3.43Å; L260-V264 VanDerWaalsContact O-CG2 3.28Å; L260-V264 WeakPolarHBondContact O-CG2 3.37Å; L260-V264 PolarHBondContact O-N 3.3Å
261E97.3Very high95.4Very high41 Ų4139.1 Ų39.119%0.19220%0.199CC..Hα-helixtrans-65.3-45.9177.8179.5167.2177.200111.5R20 I22 L32 L257 D258 D259 L263 V264 R265R20-E261 WeakPolarHBondContact CD-OE2 3.3Å; R20-E261 IonicContact CZ-OE2 3.59Å; R20-E261 IonicContact NE-OE2 2.95Å; R20-E261 IonicContact NH1-OE2 3.22Å; R20-E261 PolarHBondContact NH1-OE2 3.19Å; I22-E261 HydrophobicContact CD1-CG 4.1Å; I22-E261 HydrophobicContact CG2-CG 4.24Å; L32-E261 HydrophobicContact CD1-CB 3.63Å; L32-E261 HydrophobicContact CD1-CG 4.46Å; L257-E261 WeakPolarHBondContact O-CB 3.4Å; L257-E261 PolarHBondContact O-N 2.54Å; D258-E261 PolarHBondContact O-N 2.74Å; D259-E261 VanDerWaalsContact C-N 3.31Å; D259-E261 PolarHBondContact O-N 3.05Å; E261-L263 VanDerWaalsContact C-N 3.34Å; E261-L263 PolarHBondContact O-N 2.88Å; E261-V264 PolarHBondContact O-N 2.94Å; E261-R265 HydrophobicContact CG-CG 4.38Å; E261-R265 WeakPolarHBondContact O-CB 3.4Å; E261-R265 VanDerWaalsContact O-CG 3.28Å; E261-R265 WeakPolarHBondContact O-CG 3.46Å; E261-R265 PolarHBondContact O-N 3.5Å; E261-R265 IonicContact OE1-CZ 3.95Å; E261-R265 VanDerWaalsContact OE1-CZ 3.28Å; E261-R265 IonicContact OE1-NE 3.86Å; E261-R265 PolarHBondContact OE1-NE 2.73Å; E261-R265 IonicContact OE1-NH2 3.36Å; E261-R265 PolarHBondContact OE1-NH2 3.36Å
262V97.1Very high95.3Very high98 Ų9841.6 Ų41.659%0.59422%0.216SC*.Hα-helixtrans-59.4-47.2175.6172.30000110.5D258 D259 R265 K266D258-V262 WeakPolarHBondContact O-CG2 3.24Å; D258-V262 PolarHBondContact O-N 3.12Å; D259-V262 PolarHBondContact O-N 3.44Å; V262-R265 PolarHBondContact O-N 2.85Å; V262-K266 VanDerWaalsContact O-CB 3.3Å; V262-K266 WeakPolarHBondContact O-CB 2.92Å; V262-K266 PolarHBondContact O-N 3.44Å
263L95.5Very high95.2Very high14 Ų1447.2 Ų47.27%0.07324%0.24CC..Hα-helixtrans-60.6-48.7179.4-176.964.8000111.9L47 F151 A152 L155 D259 L260 E261 K266 I267L47-L263 HydrophobicContact CD2-CD1 4.26Å; L47-L263 HydrophobicContact CD2-CD2 4.16Å; F151-L263 HydrophobicContact CD1-CD2 4.48Å; A152-L263 HydrophobicContact CB-CD1 3.94Å; A152-L263 HydrophobicContact CB-CD2 4.13Å; L155-L263 HydrophobicContact CD2-CD2 3.93Å; L155-L263 HydrophobicContact CD2-CG 4.11Å; D259-L263 VanDerWaalsContact O-CB 3.29Å; D259-L263 WeakPolarHBondContact O-CB 3.35Å; D259-L263 PolarHBondContact O-N 2.95Å; L260-L263 PolarHBondContact O-N 3.39Å; E261-L263 VanDerWaalsContact C-N 3.34Å; E261-L263 PolarHBondContact O-N 2.88Å; L263-K266 PolarHBondContact O-N 3.36Å; L263-I267 HydrophobicContact CD1-CD1 3.48Å; L263-I267 VanDerWaalsContact CD1-CD1 3.48Å; L263-I267 HydrophobicContact CD1-CG1 4.31Å; L263-I267 HydrophobicContact CG-CD1 3.9Å; L263-I267 WeakPolarHBondContact O-CB 3.41Å; L263-I267 WeakPolarHBondContact O-CG1 3.35Å; L263-I267 PolarHBondContact O-N 2.89Å
264V97.7Very high95Very high0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-65.4-44-179.8167.60000111.4I22 L24 A30 L32 L249 V251 L260 E261 K266 I267 F268I22-V264 HydrophobicContact CD1-CG1 4.07Å; L24-V264 HydrophobicContact CD1-CG1 4.2Å; A30-V264 HydrophobicContact CB-CG1 4.33Å; L32-V264 HydrophobicContact CD2-CB 4.26Å; L32-V264 HydrophobicContact CD2-CG2 3.72Å; L249-V264 HydrophobicContact CD2-CG1 3.69Å; L249-V264 HydrophobicContact CD2-CG2 4.34Å; V251-V264 HydrophobicContact CB-CG2 4.3Å; V251-V264 HydrophobicContact CG1-CG2 4.38Å; V251-V264 HydrophobicContact CG2-CG2 3.87Å; L260-V264 WeakPolarHBondContact O-CB 3.43Å; L260-V264 VanDerWaalsContact O-CG2 3.28Å; L260-V264 WeakPolarHBondContact O-CG2 3.37Å; L260-V264 PolarHBondContact O-N 3.3Å; E261-V264 PolarHBondContact O-N 2.94Å; V264-K266 VanDerWaalsContact C-N 3.32Å; V264-K266 PolarHBondContact O-N 2.94Å; V264-I267 PolarHBondContact O-N 3.44Å; V264-F268 HydrophobicContact CG1-CD2 4.07Å; V264-F268 WeakPolarHBondContact O-CB 3.23Å; V264-F268 PolarHBondContact O-N 2.86Å
265R97.7Very high94.6Very high83 Ų8352.2 Ų52.231%0.31328%0.28SS..Hα-helixtrans-61.8-41.4175.9-72.4-178-175.1-69.4-2.3111.2E23 L24 E261 V262 S269E23-R265 PolarHBondContact O-NH1 3Å; L24-R265 HydrophobicContact CG-CG 4.44Å; E261-R265 HydrophobicContact CG-CG 4.38Å; E261-R265 WeakPolarHBondContact O-CB 3.4Å; E261-R265 VanDerWaalsContact O-CG 3.28Å; E261-R265 WeakPolarHBondContact O-CG 3.46Å; E261-R265 PolarHBondContact O-N 3.5Å; E261-R265 IonicContact OE1-CZ 3.95Å; E261-R265 VanDerWaalsContact OE1-CZ 3.28Å; E261-R265 IonicContact OE1-NE 3.86Å; E261-R265 PolarHBondContact OE1-NE 2.73Å; E261-R265 IonicContact OE1-NH2 3.36Å; E261-R265 PolarHBondContact OE1-NH2 3.36Å; V262-R265 PolarHBondContact O-N 2.85Å; R265-S269 WeakPolarHBondContact O-CB 3.3Å; R265-S269 PolarHBondContact O-N 3.49Å; R265-S269 PolarHBondContact O-OG 3.32Å
266K96.5Very high94.2Very high107 Ų10755.2 Ų55.247%0.46530%0.296SS..Hα-helixtrans-62.8-44.7177.2-178.8-179176.8-177.40112.3V262 L263 V264V262-K266 VanDerWaalsContact O-CB 3.3Å; V262-K266 WeakPolarHBondContact O-CB 2.92Å; V262-K266 PolarHBondContact O-N 3.44Å; L263-K266 PolarHBondContact O-N 3.36Å; V264-K266 VanDerWaalsContact C-N 3.32Å; V264-K266 PolarHBondContact O-N 2.94Å
267I96.9Very high93.3Very high11 Ų1156.5 Ų56.56%0.05631%0.312CS..Hα-helixtrans-83.9-40.3-170.8-71.1173.7000113L155 D156 A159 L263 V264L155-I267 HydrophobicContact CB-CD1 4.09Å; L155-I267 HydrophobicContact CD2-CD1 4.06Å; L155-I267 HydrophobicContact CG-CD1 4.1Å; L155-I267 HydrophobicContact CG-CG2 4.48Å; D156-I267 HydrophobicContact CB-CD1 4.17Å; D156-I267 HydrophobicContact CB-CG1 4.43Å; A159-I267 HydrophobicContact CB-CG2 3.28Å; L263-I267 HydrophobicContact CD1-CD1 3.48Å; L263-I267 VanDerWaalsContact CD1-CD1 3.48Å; L263-I267 HydrophobicContact CD1-CG1 4.31Å; L263-I267 HydrophobicContact CG-CD1 3.9Å; L263-I267 WeakPolarHBondContact O-CB 3.41Å; L263-I267 WeakPolarHBondContact O-CG1 3.35Å; L263-I267 PolarHBondContact O-N 2.89Å; V264-I267 PolarHBondContact O-N 3.44Å
268F97.8Very high92.1Very high0 Ų059 Ų590%033%0.328CS..Hα-helixtrans-99.7-6.7-169.5-70.2-92.5000114.6L24 N26 L28 L83 L155 F158 A159 L249 V264 D270 I271L24-F268 HydrophobicContact CD2-CB 3.78Å; N26-F268 PolarHBondContact ND2-O 3.33Å; L28-F268 HydrophobicContact CD1-CB 4.33Å; L28-F268 HydrophobicContact CD1-CD1 4.25Å; L83-F268 HydrophobicContact CD1-CD1 4.22Å; L83-F268 HydrophobicContact CD1-CE1 3.93Å; L155-F268 HydrophobicContact CD1-CE2 3.66Å; L155-F268 HydrophobicContact CD1-CZ 3.64Å; L155-F268 HydrophobicContact CD2-CE2 4.03Å; L155-F268 HydrophobicContact CG-CE2 3.66Å; L155-F268 HydrophobicContact CG-CZ 4.06Å; F158-F268 HydrophobicContact CD1-CE1 4.39Å; F158-F268 HydrophobicContact CD1-CZ 4.17Å; A159-F268 HydrophobicContact CB-CD1 4.04Å; A159-F268 HydrophobicContact CB-CE1 3.8Å; A159-F268 HydrophobicContact CB-CE2 4.49Å; A159-F268 HydrophobicContact CB-CG 4.46Å; A159-F268 HydrophobicContact CB-CZ 4.05Å; L249-F268 HydrophobicContact CD1-CE1 3.91Å; L249-F268 HydrophobicContact CD1-CE2 4.33Å; L249-F268 HydrophobicContact CD1-CZ 3.75Å; L249-F268 HydrophobicContact CD2-CD1 4.02Å; L249-F268 HydrophobicContact CD2-CD2 3.68Å; L249-F268 HydrophobicContact CD2-CE1 4.03Å; L249-F268 HydrophobicContact CD2-CE2 3.65Å; L249-F268 HydrophobicContact CD2-CG 3.88Å; L249-F268 HydrophobicContact CD2-CZ 3.84Å; L249-F268 HydrophobicContact CG-CZ 4.49Å; V264-F268 HydrophobicContact CG1-CD2 4.07Å; V264-F268 WeakPolarHBondContact O-CB 3.23Å; V264-F268 PolarHBondContact O-N 2.86Å; F268-D270 PolarHBondContact O-N 3.05Å; F268-I271 HydrophobicContact CB-CD1 4.41Å; F268-I271 HydrophobicContact CD1-CD1 3.64Å; F268-I271 HydrophobicContact CE1-CD1 4.47Å; F268-I271 HydrophobicContact CG-CD1 4.49Å; F268-I271 PolarHBondContact O-N 2.91Å
269S96.4Very high90.7Very high49 Ų4956.9 Ų56.934%0.34332%0.319SS..THydrogen-bonded Turntrans-65.1-26.4-179.7-69.50000113.3N26 R265 I271N26-S269 PolarHBondContact ND2-O 3.27Å; N26-S269 VanDerWaalsContact ND2-O 3.1Å; R265-S269 WeakPolarHBondContact O-CB 3.3Å; R265-S269 PolarHBondContact O-N 3.49Å; R265-S269 PolarHBondContact O-OG 3.32Å; S269-I271 PolarHBondContact O-N 3.01Å
270D94.9Very high89.2Confident119 Ų11959.6 Ų59.664%0.63633%0.333SS*.THydrogen-bonded Turntrans-78.5-3.9-178.9-69.8-21.5000113.9I163 F268 P272I163-D270 HydrophobicContact CD1-CB 4.05Å; I163-D270 HydrophobicContact CG1-CB 4.28Å; I163-D270 HydrophobicContact CG2-CB 4.32Å; F268-D270 PolarHBondContact O-N 3.05Å; D270-P272 WeakPolarHBondContact O-CD 3.25Å
271I96.5Very high88.2Confident2 Ų261.5 Ų61.51%0.0134%0.343CS..SBendtrans-65.4124.1175.1-63.4179.8000109.8N26 L28 L83 F162 I163 S244 M247 F268 S269 K273N26-I271 PolarHBondContact ND2-O 3.32Å; L28-I271 HydrophobicContact CD1-CD1 3.96Å; L83-I271 HydrophobicContact CD1-CD1 4.31Å; F162-I271 HydrophobicContact CB-CD1 3.84Å; F162-I271 HydrophobicContact CB-CG1 4.16Å; F162-I271 HydrophobicContact CB-CG2 4.39Å; F162-I271 HydrophobicContact CD2-CD1 4.42Å; F162-I271 HydrophobicContact CG-CD1 4.48Å; I163-I271 HydrophobicContact CG1-CG1 3.79Å; S244-I271 PolarHBondContact OG-O 3Å; S244-I271 VanDerWaalsContact OG-O 3.09Å; M247-I271 HydrophobicContact CE-CG2 3.99Å; M247-I271 HydrophobicContact SD-CD1 4.05Å; M247-I271 HydrophobicContact SD-CG2 3.76Å; F268-I271 HydrophobicContact CB-CD1 4.41Å; F268-I271 HydrophobicContact CD1-CD1 3.64Å; F268-I271 HydrophobicContact CE1-CD1 4.47Å; F268-I271 HydrophobicContact CG-CD1 4.49Å; F268-I271 PolarHBondContact O-N 2.91Å; S269-I271 PolarHBondContact O-N 3.01Å; I271-K273 PolarHBondContact O-N 3.34Å
272P94.7Very high86.6Confident52 Ų5267.1 Ų67.134%0.33837%0.369SS..  trans-58.6133.3-176.2-25.233.9000113.3S243 S244 D270S243-P272 WeakPolarHBondContact CA-O 3.45Å; S244-P272 PolarHBondContact N-O 3.03Å; S244-P272 PolarHBondContact OG-O 2.67Å; D270-P272 WeakPolarHBondContact O-CD 3.25Å
273K94.4Very high85.2Confident124 Ų12463.3 Ų63.354%0.53935%0.347SS..  trans-95.7103.9166.1-170.9-175.8-163.8155.90109N26 S244 E245 I271N26-K273 VanDerWaalsContact O-CD 3.24Å; N26-K273 WeakPolarHBondContact O-CD 3.44Å; N26-K273 WeakPolarHBondContact O-CE 3.5Å; N26-K273 WeakPolarHBondContact O-CG 3.17Å; S244-K273 WeakPolarHBondContact OG-CA 3.44Å; S244-K273 PolarHBondContact OG-N 3.32Å; E245-K273 WeakPolarHBondContact OE2-CG 3.37Å; I271-K273 PolarHBondContact O-N 3.34Å
274I89.9Confident84.2Confident57 Ų5768.7 Ų68.729%0.29238%0.38SS..  trans-80.1-36-174-59161.9000110.9K239 S243 L276K239-I274 WeakPolarHBondContact O-CD1 3.38Å; S243-I274 VanDerWaalsContact OG-CB 3.23Å; S243-I274 WeakPolarHBondContact OG-CB 3.49Å; S243-I274 WeakPolarHBondContact OG-CG1 3.39Å; S243-I274 PolarHBondContact OG-N 2.83Å; I274-L276 VanDerWaalsContact C-N 3.31Å; I274-L276 HydrophobicContact CG2-CB 4.33Å; I274-L276 HydrophobicContact CG2-CD1 3.75Å; I274-L276 HydrophobicContact CG2-CG 3.8Å; I274-L276 PolarHBondContact O-N 3.16Å
275G82.9Confident83.5Confident58 Ų5874.8 Ų74.860%0.59841%0.409SS*.  trans75.915.3176.300000114.6E245E245-G275 PolarHBondContact OE1-N 3.36Å
276L81.2Confident83.2Confident78 Ų7871.1 Ų71.141%0.40840%0.396SS..PPolyproline II helixtrans-78.7136.8171.9-74.4172.1000110.3N240 R246 I274N240-L276 HydrophobicContact CB-CD1 4.15Å; R246-L276 PolarHBondContact NH2-O 3.47Å; I274-L276 VanDerWaalsContact C-N 3.31Å; I274-L276 HydrophobicContact CG2-CB 4.33Å; I274-L276 HydrophobicContact CG2-CD1 3.75Å; I274-L276 HydrophobicContact CG2-CG 3.8Å; I274-L276 PolarHBondContact O-N 3.16Å
277P73.4Confident83Confident110 Ų11066.5 Ų66.571%0.71438%0.376SS*.PPolyproline II helixtrans-59.3142.2179.925.4-33.8000111R246 T279R246-P277 PolarHBondContact NH2-O 3.12Å; P277-T279 PolarHBondContact O-N 2.9Å
278V69Low82.6Confident79 Ų7968.9 Ų68.948%0.47939%0.388SS..PPolyproline II helixtrans-52.8132.6173.4-1770000108.7N280V278-N280 PolarHBondContact O-N 2.77Å
279T65.3Low81.9Confident54 Ų5473.6 Ų73.633%0.33142%0.417SS..  trans-52.2114.6-179.4-50.30000107.7F241 P277 L281F241-T279 WeakPolarHBondContact CE1-OG1 3.35Å; P277-T279 PolarHBondContact O-N 2.9Å; T279-L281 VanDerWaalsContact C-N 3.35Å; T279-L281 HydrophobicContact CG2-CD2 4.17Å; T279-L281 PolarHBondContact O-N 3.14Å
280N62.8Low81.4Confident116 Ų11677.1 Ų77.162%0.6243%0.432SS*.  trans-79.592.9-178.6-166.48.7000107.4V278 Q282V278-N280 PolarHBondContact O-N 2.77Å; N280-Q282 VanDerWaalsContact CG-CG 3.46Å; N280-Q282 PolarHBondContact ND2-NE2 3.39Å; N280-Q282 PolarHBondContact O-N 3.04Å; N280-Q282 WeakPolarHBondContact OD1-CG 3.5Å
281L74.4Confident81.1Confident39 Ų3972.4 Ų72.420%0.20441%0.408CS..  trans-70.176.7174-59.8172.7000107.8F90 E138 P207 T279 L368F90-L281 HydrophobicContact CB-CD1 4.41Å; F90-L281 HydrophobicContact CB-CD2 4.19Å; F90-L281 HydrophobicContact CD2-CD1 4.09Å; E138-L281 HydrophobicContact CG-CD1 4.13Å; E138-L281 WeakPolarHBondContact OE1-CD1 3.47Å; P207-L281 HydrophobicContact CG-CD2 4.08Å; T279-L281 VanDerWaalsContact C-N 3.35Å; T279-L281 HydrophobicContact CG2-CD2 4.17Å; T279-L281 PolarHBondContact O-N 3.14Å; L281-L368 HydrophobicContact CB-CD2 3.86Å; L281-L368 HydrophobicContact CB-CG 4.29Å; L281-L368 WeakPolarHBondContact O-CD2 3.24Å
282Q63.9Low80.9Confident159 Ų15973.5 Ų73.574%0.74341%0.413SS*.  trans-95.496.9173.2-67-169.5-19.200109.2N280N280-Q282 VanDerWaalsContact CG-CG 3.46Å; N280-Q282 PolarHBondContact ND2-NE2 3.39Å; N280-Q282 PolarHBondContact O-N 3.04Å; N280-Q282 WeakPolarHBondContact OD1-CG 3.5Å
283C68Low80.9Confident19 Ų1972.4 Ų72.413%0.12841%0.408CS..  trans-125.8106.1165.7-164.10000108.1E285 P286 L368C283-E285 PolarHBondContact O-N 3.17Å; C283-P286 HydrophobicContact CB-CB 4.48Å; C283-L368 HydrophobicContact CB-CD2 3.96Å
284V74.2Confident80.9Confident126 Ų12668.3 Ų68.376%0.76439%0.391SS*.SBendtrans-74.5119.6171.2-179.10000107
285E83.4Confident81.2Confident128 Ų12865.8 Ų65.860%0.59838%0.378SS*.SBendtrans58.278.5-176.4-61.3178.6170.700112.4R203 C283 F287R203-E285 WeakPolarHBondContact CD-O 3.19Å; C283-E285 PolarHBondContact O-N 3.17Å; E285-F287 PolarHBondContact O-N 2.82Å
286P90.4Very high81.8Confident6 Ų663.2 Ų63.24%0.03935%0.35CS..SBendtrans-63.3-14.4-173.420.8-29.8000115S202 R203 S206 Y208 C283 L368 C369S202-P286 WeakPolarHBondContact CB-O 3.31Å; R203-P286 PolarHBondContact N-O 3.18Å; R203-P286 VanDerWaalsContact N-O 3.1Å; S206-P286 WeakPolarHBondContact CB-O 3.47Å; S206-P286 WeakPolarHBondContact OG-CB 3.4Å; S206-P286 PolarHBondContact OG-O 2.96Å; S206-P286 VanDerWaalsContact OG-O 3.1Å; Y208-P286 HydrophobicContact CD2-CB 4.22Å; C283-P286 HydrophobicContact CB-CB 4.48Å; P286-L368 HydrophobicContact CG-CB 4.25Å; P286-C369 HydrophobicContact CG-CB 3.8Å
287F92.1Very high82.4Confident10 Ų1061.5 Ų61.54%0.04434%0.339CS..BIsolated β-bridgetrans-113.7148.2-179.4-69.4-103.5000112.6I198 L201 Y208 E285 V289 F292 I312 I371I198-F287 HydrophobicContact CG2-CE1 4.09Å; I198-F287 HydrophobicContact CG2-CZ 4.43Å; I198-F287 WeakPolarHBondContact O-CE1 3.35Å; L201-F287 HydrophobicContact CB-CD1 4.28Å; Y208-F287 HydrophobicContact CD1-CZ 4.16Å; Y208-F287 AromaticContact CD2-CE2 4Å; Y208-F287 HydrophobicContact CD2-CE2 4Å; Y208-F287 HydrophobicContact CD2-CZ 4.36Å; Y208-F287 HydrophobicContact CE2-CE2 4.19Å; Y208-F287 HydrophobicContact CG-CE2 4.18Å; Y208-F287 HydrophobicContact CG-CZ 4.06Å; E285-F287 PolarHBondContact O-N 2.82Å; F287-V289 PolarHBondContact O-N 3.23Å; F287-F292 HydrophobicContact CB-CE2 3.73Å; F287-F292 HydrophobicContact CB-CZ 4Å; F287-F292 HydrophobicContact CD1-CZ 4.26Å; F287-F292 HydrophobicContact CG-CZ 4.32Å; F287-I312 HydrophobicContact CB-CG1 4.23Å; F287-I312 HydrophobicContact CD1-CD1 4.25Å; F287-I312 HydrophobicContact CD1-CG1 4.36Å; F287-I312 HydrophobicContact CD2-CD1 3.83Å; F287-I312 HydrophobicContact CD2-CG1 3.86Å; F287-I312 HydrophobicContact CD2-CG2 3.88Å; F287-I312 HydrophobicContact CE1-CD1 4.17Å; F287-I312 HydrophobicContact CE2-CD1 3.78Å; F287-I312 HydrophobicContact CE2-CG1 4.34Å; F287-I312 HydrophobicContact CE2-CG2 4.42Å; F287-I312 HydrophobicContact CG-CD1 4.1Å; F287-I312 HydrophobicContact CG-CG1 3.9Å; F287-I312 HydrophobicContact CZ-CD1 3.95Å; F287-I371 HydrophobicContact CE2-CD1 4.31Å; F287-I371 HydrophobicContact CZ-CD1 3.93Å
288D88.3Confident83.3Confident61 Ų6156.4 Ų56.433%0.32631%0.306SS..  trans-75116.8176.2-177.40.5000109.5L201 R203 N290 S291 F292L201-D288 PolarHBondContact O-N 2.82Å; R203-D288 HydrophobicContact CG-CB 4.33Å; D288-N290 PolarHBondContact O-N 2.86Å; D288-N290 VanDerWaalsContact O-N 3.12Å; D288-N290 WeakPolarHBondContact OD1-CB 3.37Å; D288-N290 PolarHBondContact OD1-N 3.03Å; D288-N290 PolarHBondContact OD1-ND2 3.08Å; D288-S291 VanDerWaalsContact O-CB 3.28Å; D288-S291 WeakPolarHBondContact O-CB 3.48Å; D288-S291 PolarHBondContact O-N 3.34Å; D288-F292 VanDerWaalsContact O-CD2 3.29Å; D288-F292 WeakPolarHBondContact O-CD2 3.39Å; D288-F292 WeakPolarHBondContact O-CE2 3.23Å
289V83.8Confident84.1Confident99 Ų9953.6 Ų53.660%0.629%0.287SS*.G310 helixtrans-55.3-30.6177.9-179.40000111.6F287 S291 F292F287-V289 PolarHBondContact O-N 3.23Å; V289-S291 PolarHBondContact O-N 3.36Å; V289-F292 PolarHBondContact O-N 3.14Å
290N85.8Confident85.1Confident123 Ų12351.9 Ų51.966%0.65828%0.277SS*.G310 helixtrans-71.4-12.2177.9-57-62.6000113.5D288 F292 K294D288-N290 PolarHBondContact O-N 2.86Å; D288-N290 VanDerWaalsContact O-N 3.12Å; D288-N290 WeakPolarHBondContact OD1-CB 3.37Å; D288-N290 PolarHBondContact OD1-N 3.03Å; D288-N290 PolarHBondContact OD1-ND2 3.08Å; N290-F292 VanDerWaalsContact C-N 3.31Å; N290-K294 WeakPolarHBondContact O-CE 3.42Å
291S89.2Confident85.8Confident20 Ų2049.5 Ų49.514%0.1426%0.264CS..G310 helixtrans-83.6-6.5173.7-60.70000112.7D288 V289 Y296D288-S291 VanDerWaalsContact O-CB 3.28Å; D288-S291 WeakPolarHBondContact O-CB 3.48Å; D288-S291 PolarHBondContact O-N 3.34Å; V289-S291 PolarHBondContact O-N 3.36Å; S291-Y296 WeakPolarHBondContact O-CE2 3.4Å; S291-Y296 PolarHBondContact O-OH 3.34Å
292F91.9Very high85.8Confident25 Ų2549 Ų4911%0.1126%0.263CS..SBendtrans-99.3173.7177.4-64.5-94.2000111.1F287 D288 V289 N290 K294 I312 R506 A508F287-F292 HydrophobicContact CB-CE2 3.73Å; F287-F292 HydrophobicContact CB-CZ 4Å; F287-F292 HydrophobicContact CD1-CZ 4.26Å; F287-F292 HydrophobicContact CG-CZ 4.32Å; D288-F292 VanDerWaalsContact O-CD2 3.29Å; D288-F292 WeakPolarHBondContact O-CD2 3.39Å; D288-F292 WeakPolarHBondContact O-CE2 3.23Å; V289-F292 PolarHBondContact O-N 3.14Å; N290-F292 VanDerWaalsContact C-N 3.31Å; F292-K294 PolarHBondContact O-N 3.4Å; F292-I312 HydrophobicContact CE1-CG1 3.67Å; F292-I312 HydrophobicContact CE2-CG1 4.29Å; F292-I312 HydrophobicContact CZ-CB 4.39Å; F292-I312 HydrophobicContact CZ-CD1 4.21Å; F292-I312 HydrophobicContact CZ-CG1 3.3Å; F292-R506 VanDerWaalsContact CD1-O 3.22Å; F292-R506 WeakPolarHBondContact CD1-O 3.42Å; F292-A508 HydrophobicContact CD1-CB 3.8Å; F292-A508 HydrophobicContact CE1-CB 3.92Å
293A94.1Very high86.1Confident29 Ų2941.6 Ų41.624%0.2423%0.229CC..SBendtrans59.631.9-170.400000113.3A507 M547A293-A507 PolarHBondContact N-O 2.9Å; A293-M547 HydrophobicContact CB-CE 3.97Å
294K95.2Very high86.2Confident39 Ų3943.1 Ų43.117%0.1723%0.234CC..EExtended strand (participates in β ladder)trans-128.1154.1-176.5-71179.4-174.1-710112.2N290 F292 Y296 I509 E540 D541N290-K294 WeakPolarHBondContact O-CE 3.42Å; F292-K294 PolarHBondContact O-N 3.4Å; K294-Y296 HydrophobicContact CB-CD2 4.41Å; K294-Y296 HydrophobicContact CB-CE2 3.8Å; K294-I509 PolarHBondContact O-N 3.09Å; K294-I509 VanDerWaalsContact O-N 3.08Å; K294-E540 WeakPolarHBondContact CA-O 3.03Å; K294-D541 IonicContact NZ-OD1 2.9Å; K294-D541 PolarHBondContact NZ-OD1 3.41Å
295L95.8Very high86.8Confident4 Ų437.7 Ų37.72%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-101.2123.2169.2177.665.3000109.4K297 I386 F387 I509 F511 K539 E540 I542L295-K297 HydrophobicContact CD2-CG 4.34Å; L295-K297 HydrophobicContact CG-CG 4.31Å; L295-I386 HydrophobicContact CD1-CD1 4.04Å; L295-I386 HydrophobicContact CD2-CD1 3.94Å; L295-F387 HydrophobicContact CD2-CE1 4.32Å; L295-F387 HydrophobicContact CD2-CZ 4.23Å; L295-I509 CarbonylContact C-O 3.36Å; L295-I509 WeakPolarHBondContact CA-O 3.42Å; L295-I509 HydrophobicContact CD1-CB 4.16Å; L295-I509 HydrophobicContact CD1-CG2 3.72Å; L295-F511 HydrophobicContact CD1-CB 3.95Å; L295-K539 CarbonylContact O-C 3.45Å; L295-K539 WeakPolarHBondContact O-CA 3.48Å; L295-E540 PolarHBondContact N-O 3.42Å; L295-E540 PolarHBondContact O-N 2.84Å; L295-I542 HydrophobicContact CB-CG1 4.47Å
296Y95.2Very high87.2Confident4 Ų435 Ų352%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-106.1107.6174.5-66.6-92.8000108.9L201 S291 K294 A508 I509 F510 F511 Y537 Q538 K539L201-Y296 HydrophobicContact CD1-CE1 4.36Å; L201-Y296 HydrophobicContact CD1-CE2 3.89Å; L201-Y296 HydrophobicContact CD2-CE1 3.68Å; L201-Y296 WeakPolarHBondContact CD2-OH 3.19Å; S291-Y296 WeakPolarHBondContact O-CE2 3.4Å; S291-Y296 PolarHBondContact O-OH 3.34Å; K294-Y296 HydrophobicContact CB-CD2 4.41Å; K294-Y296 HydrophobicContact CB-CE2 3.8Å; Y296-A508 HydrophobicContact CE2-CB 4.36Å; Y296-I509 PolarHBondContact N-O 3.28Å; Y296-F510 HydrophobicContact CD1-CE1 4.38Å; Y296-F510 HydrophobicContact CD2-CD1 4.28Å; Y296-F510 HydrophobicContact CD2-CE1 4.05Å; Y296-F510 HydrophobicContact CD2-CZ 4.34Å; Y296-F510 AromaticContact CG-CD1 3.98Å; Y296-F510 HydrophobicContact CG-CD1 3.98Å; Y296-F510 AromaticContact CG-CE1 3.88Å; Y296-F510 HydrophobicContact CG-CE1 3.88Å; Y296-F510 CarbonylContact O-C 3.25Å; Y296-F510 WeakPolarHBondContact O-CA 3.42Å; Y296-F511 PolarHBondContact O-N 3.24Å; Y296-Y537 AromaticContact CD1-CD2 3.82Å; Y296-Y537 HydrophobicContact CD1-CD2 3.82Å; Y296-Y537 AromaticContact CD1-CE2 3.9Å; Y296-Y537 HydrophobicContact CD1-CE2 3.9Å; Y296-Y537 HydrophobicContact CE1-CD2 4.46Å; Y296-Y537 HydrophobicContact CE1-CE2 4.08Å; Y296-Q538 CarbonylContact C-O 3.46Å; Y296-Q538 WeakPolarHBondContact CA-O 3.31Å; Y296-K539 HydrophobicContact CD1-CB 3.91Å; Y296-K539 HydrophobicContact CE1-CB 3.81Å
297K93.7Very high87.5Confident41 Ų4134.8 Ų34.818%0.17819%0.185CC..EExtended strand (participates in β ladder)trans-86.4112.2173.2-60.4-180-177.6160.20108.5L295 F511 F516 Y537 Q538 E540L295-K297 HydrophobicContact CD2-CG 4.34Å; L295-K297 HydrophobicContact CG-CG 4.31Å; K297-F511 CarbonylContact C-O 3.48Å; K297-F511 WeakPolarHBondContact CA-O 3.34Å; K297-F511 HydrophobicContact CG-CD1 4.34Å; K297-F516 HydrophobicContact CB-CD1 3.65Å; K297-F516 HydrophobicContact CB-CD2 4.32Å; K297-F516 HydrophobicContact CB-CE1 3.39Å; K297-F516 HydrophobicContact CB-CE2 4.11Å; K297-F516 HydrophobicContact CB-CG 4.1Å; K297-F516 HydrophobicContact CB-CZ 3.66Å; K297-F516 HydrophobicContact CD-CD2 3.75Å; K297-F516 HydrophobicContact CD-CE1 4.42Å; K297-F516 HydrophobicContact CD-CE2 3.59Å; K297-F516 HydrophobicContact CD-CG 4.25Å; K297-F516 HydrophobicContact CD-CZ 3.96Å; K297-F516 HydrophobicContact CG-CZ 4.47Å; K297-Y537 CarbonylContact O-C 3.48Å; K297-Y537 WeakPolarHBondContact O-CA 3.26Å; K297-Y537 WeakPolarHBondContact O-CB 3.49Å; K297-Q538 PolarHBondContact N-O 2.69Å; K297-Q538 PolarHBondContact O-N 3.45Å; K297-E540 WeakPolarHBondContact CE-OE2 3.25Å; K297-E540 IonicContact NZ-OE1 2.78Å; K297-E540 PolarHBondContact NZ-OE1 3.27Å; K297-E540 IonicContact NZ-OE2 3.76Å; K297-E540 PolarHBondContact NZ-OE2 3.02Å
298V91.9Very high87.6Confident3 Ų335 Ų352%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-109.7138.5-169.1-177.70000110L194 L197 P300 F510 F511 L512 S513 V535L194-V298 HydrophobicContact CD2-CG1 4.23Å; L194-V298 HydrophobicContact CD2-CG2 4.45Å; L197-V298 HydrophobicContact CD2-CG1 4.19Å; L197-V298 HydrophobicContact CD2-CG2 3.57Å; V298-P300 WeakPolarHBondContact O-CD 3.28Å; V298-F510 HydrophobicContact CG2-CB 4.48Å; V298-F510 HydrophobicContact CG2-CD1 4.07Å; V298-F511 PolarHBondContact N-O 3.02Å; V298-L512 HydrophobicContact CB-CD1 4.48Å; V298-L512 HydrophobicContact CB-CG 4.11Å; V298-L512 HydrophobicContact CG1-CG 4.36Å; V298-S513 PolarHBondContact O-N 3.42Å; V298-V535 HydrophobicContact CG1-CG1 3.62Å
299Y87.2Confident88Confident20 Ų2032.1 Ų32.18%0.07817%0.17CC..  trans-78.9110173.7-81.1-130.1000110F516 A517 V520 L527 A536Y299-F516 HydrophobicContact CD2-CD1 4.14Å; Y299-F516 AromaticContact CD2-CE1 3.9Å; Y299-F516 HydrophobicContact CD2-CE1 3.9Å; Y299-F516 AromaticContact CE2-CD1 3.89Å; Y299-F516 HydrophobicContact CE2-CD1 3.89Å; Y299-F516 AromaticContact CE2-CE1 3.47Å; Y299-F516 HydrophobicContact CE2-CE1 3.47Å; Y299-F516 VanDerWaalsContact CE2-CE1 3.47Å; Y299-F516 HydrophobicContact CE2-CZ 4.29Å; Y299-A517 HydrophobicContact CD1-CB 3.48Å; Y299-A517 VanDerWaalsContact CD1-CB 3.48Å; Y299-A517 HydrophobicContact CD2-CB 4.25Å; Y299-A517 HydrophobicContact CE1-CB 3.64Å; Y299-A517 HydrophobicContact CE2-CB 4.36Å; Y299-A517 HydrophobicContact CG-CB 3.81Å; Y299-V520 WeakPolarHBondContact OH-CB 3.33Å; Y299-V520 WeakPolarHBondContact OH-CG1 3.34Å; Y299-L527 HydrophobicContact CD2-CD2 4.37Å; Y299-L527 HydrophobicContact CE1-CD1 4.17Å; Y299-L527 HydrophobicContact CE2-CD1 4.04Å; Y299-L527 HydrophobicContact CE2-CD2 3.49Å; Y299-L527 VanDerWaalsContact CE2-CD2 3.49Å; Y299-L527 HydrophobicContact CE2-CG 4.43Å; Y299-L527 WeakPolarHBondContact OH-CD1 3.41Å; Y299-A536 WeakPolarHBondContact CB-O 3.41Å; Y299-A536 HydrophobicContact CD1-CB 4.26Å; Y299-A536 HydrophobicContact CD2-CB 4.14Å; Y299-A536 HydrophobicContact CG-CB 3.91Å; Y299-A536 PolarHBondContact N-O 3.19Å
300P84.7Confident88.6Confident19 Ų1927.5 Ų27.512%0.12314%0.142CC..  trans-80.8155.9175.935.4-33.5000110.9V298 S302 L512 S513V298-P300 WeakPolarHBondContact O-CD 3.28Å; P300-S302 WeakPolarHBondContact CB-O 2.9Å; P300-S302 WeakPolarHBondContact CG-O 3.32Å; P300-L512 HydrophobicContact CB-CB 4.29Å; P300-L512 HydrophobicContact CB-CD2 4.44Å; P300-S513 WeakPolarHBondContact CD-O 3.46Å
301L78.9Confident89.1Confident66 Ų6621.7 Ų21.735%0.34611%0.111SC..SBendtrans-82.5-33.4166.5-63.7-178.8000111.5Y187 D190Y187-L301 VanDerWaalsContact O-CD1 3.31Å; Y187-L301 WeakPolarHBondContact O-CD1 3.45Å; D190-L301 PolarHBondContact OD1-N 3.39Å; D190-L301 PolarHBondContact OD2-N 3.29Å
302S73Confident89.4Confident27 Ų2722.7 Ų22.719%0.18911%0.114CC..SBendtrans-86.1149.9175.361.60000112.2D190 P300 K304D190-S302 WeakPolarHBondContact OD2-CB 3.18Å; D190-S302 PolarHBondContact OD2-N 3.03Å; D190-S302 PolarHBondContact OD2-OG 3.12Å; P300-S302 WeakPolarHBondContact CB-O 2.9Å; P300-S302 WeakPolarHBondContact CG-O 3.32Å; S302-K304 PolarHBondContact O-N 3.34Å
303V70.6Confident89.5Confident4 Ų421.7 Ų21.72%0.02411%0.11CC..SBendtrans-74.886.7166.7-175.30000106Q714 N718 V1018V303-Q714 WeakPolarHBondContact O-CG 3.49Å; V303-Q714 PolarHBondContact O-NE2 2.89Å; V303-N718 PolarHBondContact N-OD1 3.5Å; V303-N718 PolarHBondContact O-ND2 3.41Å; V303-V1018 HydrophobicContact CG2-CB 3.46Å; V303-V1018 VanDerWaalsContact CG2-CB 3.46Å; V303-V1018 HydrophobicContact CG2-CG1 3.16Å; V303-V1018 HydrophobicContact CG2-CG2 4.18Å
304K71.6Confident89.5Confident52 Ų5223.6 Ų23.623%0.22612%0.119CC..  trans-147135.8172.9-68-170.4178.3-1770109.5S302 K306 Q714S302-K304 PolarHBondContact O-N 3.34Å; K304-K306 HydrophobicContact CB-CG 4.19Å; K304-Q714 HydrophobicContact CG-CG 4.45Å
305E86.7Confident89.4Confident11 Ų1124.4 Ų24.45%0.05113%0.129CC..  trans-94.8110.7171.3-58.5-68.4168.500107.2L378 R383 F511 L512 S513 T515E305-L378 HydrophobicContact CB-CB 4.19Å; E305-L378 PolarHBondContact O-N 2.66Å; E305-R383 HydrophobicContact CB-CB 4.39Å; E305-R383 HydrophobicContact CB-CG 4.41Å; E305-R383 HydrophobicContact CG-CB 4.33Å; E305-R383 HydrophobicContact CG-CG 4.06Å; E305-R383 WeakPolarHBondContact OE1-CD 3.49Å; E305-R383 WeakPolarHBondContact OE2-CG 3.48Å; E305-F511 WeakPolarHBondContact OE2-CE2 3.3Å; E305-L512 WeakPolarHBondContact CA-O 3.49Å; E305-S513 VanDerWaalsContact CD-OG 3.25Å; E305-S513 PolarHBondContact OE1-OG 2.89Å; E305-S513 VanDerWaalsContact OE1-OG 3.07Å; E305-S513 WeakPolarHBondContact OE2-CA 3.47Å; E305-S513 WeakPolarHBondContact OE2-CB 3.16Å; E305-S513 PolarHBondContact OE2-OG 2.9Å; E305-T515 WeakPolarHBondContact OE1-CB 3.35Å; E305-T515 PolarHBondContact OE1-N 3.32Å; E305-T515 PolarHBondContact OE1-OG1 2.93Å
306K91.6Very high89.2Confident72 Ų7224.6 Ų24.631%0.31313%0.13SC..EExtended strand (participates in β ladder)trans-131.8143.4-177.2-63-177.1-179.2179.20111.3K304 I376 L512K304-K306 HydrophobicContact CB-CG 4.19Å; K306-I376 WeakPolarHBondContact CA-O 3.3Å; K306-L512 HydrophobicContact CB-CB 4.26Å; K306-L512 PolarHBondContact N-O 3.01Å; K306-L512 PolarHBondContact O-N 3.2Å
307L95.3Very high89Confident1 Ų125.2 Ų25.21%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-112.8125.9170.8-162.567000109I309 N375 I376 L378 I386 V389 I509 F510 F511L307-I309 HydrophobicContact CD2-CD1 4.09Å; L307-I309 HydrophobicContact CD2-CG1 4.44Å; L307-I309 HydrophobicContact CG-CD1 4.43Å; L307-I309 HydrophobicContact CG-CG1 4.24Å; L307-N375 CarbonylContact O-C 3.55Å; L307-I376 HydrophobicContact CB-CB 4.26Å; L307-I376 PolarHBondContact N-O 2.81Å; L307-I376 PolarHBondContact O-N 3.01Å; L307-L378 HydrophobicContact CB-CD1 4.14Å; L307-L378 HydrophobicContact CB-CD2 4.27Å; L307-L378 HydrophobicContact CB-CG 4.27Å; L307-I386 HydrophobicContact CD1-CB 4.44Å; L307-I386 HydrophobicContact CD1-CG2 4.5Å; L307-V389 HydrophobicContact CD2-CB 4.25Å; L307-V389 HydrophobicContact CD2-CG1 3.88Å; L307-I509 HydrophobicContact CD1-CG2 3.55Å; L307-I509 HydrophobicContact CG-CG2 4.28Å; L307-F510 CarbonylContact C-O 3.57Å; L307-F510 WeakPolarHBondContact CA-O 3.46Å; L307-F511 HydrophobicContact CD1-CB 4.1Å
308R95.7Very high88.8Confident16 Ų1629.6 Ų29.66%0.0616%0.158CC..EExtended strand (participates in β ladder)trans-120.4120.3173.9-178.3174.8-177.4159.96.3108.8H195 V310 T373 V374 N375 F510H195-R308 PolarHBondContact CD2-NH1 2.93Å; R308-V310 HydrophobicContact CG-CG2 4.01Å; R308-T373 HydrophobicContact CG-CG2 3.62Å; R308-T373 PolarHBondContact NH2-OG1 3.28Å; R308-V374 CarbonylContact C-O 3.59Å; R308-V374 WeakPolarHBondContact CA-O 3.2Å; R308-N375 WeakPolarHBondContact CD-OD1 3.1Å; R308-N375 WeakPolarHBondContact CG-OD1 3.17Å; R308-F510 HydrophobicContact CB-CB 4.23Å; R308-F510 PolarHBondContact N-O 3.02Å; R308-F510 PolarHBondContact O-N 3.47Å
309I97.1Very high88.8Confident0 Ų033.2 Ų33.20%018%0.175CC..EExtended strand (participates in β ladder)trans-113125.3-178.3-55.1169.2000107.6L307 W311 T373 V374 L393 A507 A508 I509L307-I309 HydrophobicContact CD2-CD1 4.09Å; L307-I309 HydrophobicContact CD2-CG1 4.44Å; L307-I309 HydrophobicContact CG-CD1 4.43Å; L307-I309 HydrophobicContact CG-CG1 4.24Å; I309-W311 HydrophobicContact CB-CH2 4.34Å; I309-W311 HydrophobicContact CB-CZ3 4.16Å; I309-W311 HydrophobicContact CG2-CE3 4.2Å; I309-W311 HydrophobicContact CG2-CH2 3.49Å; I309-W311 VanDerWaalsContact CG2-CH2 3.49Å; I309-W311 HydrophobicContact CG2-CZ2 3.97Å; I309-W311 HydrophobicContact CG2-CZ3 3.6Å; I309-T373 WeakPolarHBondContact O-CA 3.27Å; I309-V374 HydrophobicContact CB-CB 4.48Å; I309-V374 PolarHBondContact N-O 2.81Å; I309-V374 PolarHBondContact O-N 2.99Å; I309-L393 HydrophobicContact CD1-CD2 3.5Å; I309-L393 VanDerWaalsContact CD1-CD2 3.5Å; I309-A507 HydrophobicContact CG2-CB 3.93Å; I309-A508 WeakPolarHBondContact CA-O 3.38Å; I309-I509 HydrophobicContact CG1-CG2 4.46Å
310V96.2Very high89.1Confident2 Ų233 Ų331%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-124.2133.9-170.3-179.70000110.7I198 R308 I312 I371 F372 A507 A508 F510I198-V310 HydrophobicContact CD1-CG2 4.04Å; R308-V310 HydrophobicContact CG-CG2 4.01Å; V310-I312 HydrophobicContact CG1-CD1 4.27Å; V310-I371 HydrophobicContact CG1-CG2 3.49Å; V310-I371 VanDerWaalsContact CG1-CG2 3.49Å; V310-F372 WeakPolarHBondContact CA-O 3.37Å; V310-A507 WeakPolarHBondContact O-CA 3.23Å; V310-A508 PolarHBondContact N-O 3Å; V310-A508 PolarHBondContact O-N 3.09Å; V310-F510 HydrophobicContact CB-CE2 4.39Å; V310-F510 HydrophobicContact CG2-CD2 4.18Å; V310-F510 HydrophobicContact CG2-CE2 3.98Å
311W96.2Very high89.6Confident1 Ų133.6 Ų33.60%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-120.5139.5167.9-65.5-93.7000110.5I309 L313 F372 V374 L393 F394 I397 M502 T503 A507I309-W311 HydrophobicContact CB-CH2 4.34Å; I309-W311 HydrophobicContact CB-CZ3 4.16Å; I309-W311 HydrophobicContact CG2-CE3 4.2Å; I309-W311 HydrophobicContact CG2-CH2 3.49Å; I309-W311 VanDerWaalsContact CG2-CH2 3.49Å; I309-W311 HydrophobicContact CG2-CZ2 3.97Å; I309-W311 HydrophobicContact CG2-CZ3 3.6Å; W311-L313 HydrophobicContact CB-CD2 4.33Å; W311-F372 HydrophobicContact CE3-CD1 4.05Å; W311-F372 HydrophobicContact CZ3-CD1 4.3Å; W311-F372 PolarHBondContact N-O 3.41Å; W311-F372 PolarHBondContact O-N 2.77Å; W311-V374 HydrophobicContact CH2-CG2 4.47Å; W311-V374 HydrophobicContact CZ3-CB 4.44Å; W311-V374 HydrophobicContact CZ3-CG2 3.84Å; W311-L393 HydrophobicContact CH2-CD2 3.91Å; W311-F394 HydrophobicContact CH2-CE1 4.32Å; W311-F394 HydrophobicContact CZ2-CD1 4.15Å; W311-F394 AromaticContact CZ2-CE1 3.64Å; W311-F394 HydrophobicContact CZ2-CE1 3.64Å; W311-I397 HydrophobicContact CH2-CD1 3.87Å; W311-I397 HydrophobicContact CZ2-CD1 3.82Å; W311-M502 HydrophobicContact CD2-CE 4.41Å; W311-M502 HydrophobicContact CE3-CE 4.16Å; W311-M502 HydrophobicContact CG-CG 4.44Å; W311-M502 HydrophobicContact CZ3-CE 4.26Å; W311-T503 PolarHBondContact NE1-O 2.9Å; W311-A507 HydrophobicContact CZ2-CB 4.32Å
312I95Very high90.3Very high41 Ų4130.9 Ų30.921%0.2116%0.162CC..EExtended strand (participates in β ladder)trans-96.9115.8170.6-51.4-58.3000108.1F287 F292 V310 C369 I371F287-I312 HydrophobicContact CB-CG1 4.23Å; F287-I312 HydrophobicContact CD1-CD1 4.25Å; F287-I312 HydrophobicContact CD1-CG1 4.36Å; F287-I312 HydrophobicContact CD2-CD1 3.83Å; F287-I312 HydrophobicContact CD2-CG1 3.86Å; F287-I312 HydrophobicContact CD2-CG2 3.88Å; F287-I312 HydrophobicContact CE1-CD1 4.17Å; F287-I312 HydrophobicContact CE2-CD1 3.78Å; F287-I312 HydrophobicContact CE2-CG1 4.34Å; F287-I312 HydrophobicContact CE2-CG2 4.42Å; F287-I312 HydrophobicContact CG-CD1 4.1Å; F287-I312 HydrophobicContact CG-CG1 3.9Å; F287-I312 HydrophobicContact CZ-CD1 3.95Å; F292-I312 HydrophobicContact CE1-CG1 3.67Å; F292-I312 HydrophobicContact CE2-CG1 4.29Å; F292-I312 HydrophobicContact CZ-CB 4.39Å; F292-I312 HydrophobicContact CZ-CD1 4.21Å; F292-I312 HydrophobicContact CZ-CG1 3.3Å; V310-I312 HydrophobicContact CG1-CD1 4.27Å; I312-C369 HydrophobicContact CG2-CB 3.81Å; I312-I371 HydrophobicContact CD1-CB 4.36Å; I312-I371 HydrophobicContact CD1-CD1 4.29Å; I312-I371 HydrophobicContact CD1-CG1 3.84Å; I312-I371 HydrophobicContact CD1-CG2 4.1Å
313L94.5Very high91.2Very high4 Ų429.8 Ų29.82%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-105.9159.6179.8-55.6178.7000109.9W311 M325 C369 T370 F372 L498 L501 M502W311-L313 HydrophobicContact CB-CD2 4.33Å; L313-M325 HydrophobicContact CD1-CE 3.92Å; L313-M325 HydrophobicContact CD1-SD 3.74Å; L313-C369 WeakPolarHBondContact O-CB 3.39Å; L313-T370 WeakPolarHBondContact CB-O 3.37Å; L313-T370 PolarHBondContact N-O 3.48Å; L313-T370 PolarHBondContact O-N 3.24Å; L313-F372 HydrophobicContact CD1-CB 3.85Å; L313-F372 HydrophobicContact CG-CB 4.44Å; L313-L498 HydrophobicContact CD1-CD2 4.35Å; L313-L501 HydrophobicContact CD2-CB 3.87Å; L313-L501 HydrophobicContact CD2-CD1 4.3Å; L313-M502 HydrophobicContact CD2-CG 4.23Å
314P93.7Very high92.3Very high68 Ų6829.8 Ų29.844%0.44215%0.154SC..  trans-53.8156.8170.7-23.934.3000111.4L316 T370 L501P314-L316 WeakPolarHBondContact O-CG 3.4Å; P314-L316 PolarHBondContact O-N 2.72Å; P314-T370 PolarHBondContact O-OG1 3.46Å; P314-L501 VanDerWaalsContact CD-CD1 3.49Å; P314-L501 HydrophobicContact CG-CD1 3.92Å
315P92.6Very high93.4Very high56 Ų5627.6 Ų27.636%0.36415%0.145SC..  trans-63.2120.2179.324.9-33.2000111.3
316L92.8Very high93.6Very high9 Ų929.4 Ų29.45%0.04715%0.154CC..  trans-106.14.4-176.7-67.4172.2000114.6P314 N318 H319 P324 M325 T370 L494 L498P314-L316 WeakPolarHBondContact O-CG 3.4Å; P314-L316 PolarHBondContact O-N 2.72Å; L316-N318 PolarHBondContact O-N 2.99Å; L316-H319 HydrophobicContact CD2-CB 4.42Å; L316-H319 WeakPolarHBondContact O-CB 3.23Å; L316-H319 PolarHBondContact O-N 3.46Å; L316-P324 HydrophobicContact CD1-CG 4.15Å; L316-P324 HydrophobicContact CD2-CG 4.32Å; L316-M325 HydrophobicContact CD1-CE 3.49Å; L316-M325 VanDerWaalsContact CD1-CE 3.49Å; L316-M325 HydrophobicContact CD1-CG 3.73Å; L316-M325 HydrophobicContact CD1-SD 3.65Å; L316-T370 WeakPolarHBondContact CB-OG1 3.45Å; L316-T370 HydrophobicContact CD1-CG2 4.31Å; L316-T370 PolarHBondContact N-OG1 3.12Å; L316-L494 HydrophobicContact CD2-CD1 4.41Å; L316-L498 HydrophobicContact CD1-CD1 3.92Å; L316-L498 HydrophobicContact CD1-CD2 3.87Å; L316-L498 HydrophobicContact CD2-CD1 4.32Å; L316-L498 HydrophobicContact CD2-CD2 4.2Å; L316-L498 HydrophobicContact CG-CD2 4.5Å
317I89.3Confident93.8Very high17 Ų1726 Ų269%0.08714%0.139CC..G310 helixtrans-51.6-32.7-178-161.6171.8000113.9L474 Y484I317-L474 HydrophobicContact CD1-CD2 3.74Å; I317-L474 HydrophobicContact CG1-CD2 4.13Å; I317-Y484 PolarHBondContact O-OH 2.8Å
318N89.8Confident93.8Very high132 Ų13226 Ų2671%0.70614%0.138SC*.G310 helixtrans-87.6-2.8179.7-65.1-45.1000114.1L316L316-N318 PolarHBondContact O-N 2.99Å
319H93.2Very high93.7Very high79 Ų7925.8 Ų25.837%0.36614%0.14SC..G310 helixtrans-10019-176.1-68.4-84.5000113.5L316 E321 S322 S323 P324 L494L316-H319 HydrophobicContact CD2-CB 4.42Å; L316-H319 WeakPolarHBondContact O-CB 3.23Å; L316-H319 PolarHBondContact O-N 3.46Å; H319-E321 VanDerWaalsContact C-N 3.26Å; H319-E321 PolarHBondContact O-N 3.44Å; H319-S322 PolarHBondContact O-N 2.87Å; H319-S322 PolarHBondContact O-OG 2.79Å; H319-S323 PolarHBondContact O-N 2.7Å; H319-S323 VanDerWaalsContact O-N 3.17Å; H319-P324 HydrophobicContact CB-CG 4.24Å; H319-P324 WeakPolarHBondContact O-CD 3.27Å; H319-L494 HydrophobicContact CB-CD2 4.13Å
320Y92.9Very high93.6Very high16 Ų1626.3 Ų26.36%0.06314%0.143CC..G310 helixtrans-56.4-33.2-175.972.7-90.5000114.1S322 S323 V475 H479 Y484Y320-S322 PolarHBondContact O-N 2.98Å; Y320-S323 PolarHBondContact O-N 2.95Å; Y320-S323 VanDerWaalsContact O-N 3.13Å; Y320-S323 PolarHBondContact O-OG 2.98Å; Y320-V475 HydrophobicContact CD1-CG1 3.86Å; Y320-V475 HydrophobicContact CD2-CB 4.45Å; Y320-V475 HydrophobicContact CD2-CG1 3.73Å; Y320-V475 HydrophobicContact CE1-CB 4.18Å; Y320-V475 HydrophobicContact CE1-CG1 3.99Å; Y320-V475 HydrophobicContact CE2-CB 4.06Å; Y320-V475 HydrophobicContact CE2-CG1 3.85Å; Y320-V475 HydrophobicContact CG-CG1 3.73Å; Y320-H479 HydrophobicContact CE2-CB 4.03Å; Y320-H479 AromaticContact CE2-ND1 3.42Å; Y320-H479 WeakPolarHBondContact CE2-ND1 3.22Å; Y320-H479 AromaticContact CZ-ND1 3.56Å; Y320-H479 PolarHBondContact OH-ND1 3.38Å; Y320-Y484 VanDerWaalsContact CB-CZ 3.45Å
321E94.1Very high93.6Very high32 Ų3226.2 Ų26.215%0.1514%0.143CC..G310 helixtrans-64.4-27177.9-65.7-174.6-178.400112.7H319 K476 H479 K488 K489H319-E321 VanDerWaalsContact C-N 3.26Å; H319-E321 PolarHBondContact O-N 3.44Å; E321-K476 IonicContact OE1-NZ 3.99Å; E321-H479 IonicContact OE1-CE1 3.5Å; E321-H479 PolarHBondContact OE1-CE1 3.01Å; E321-H479 IonicContact OE1-ND1 3.73Å; E321-K488 HydrophobicContact CB-CB 4.39Å; E321-K488 PolarHBondContact O-N 3.43Å; E321-K489 PolarHBondContact O-N 2.95Å; E321-K489 VanDerWaalsContact OE2-CD 3.29Å; E321-K489 WeakPolarHBondContact OE2-CD 3.36Å; E321-K489 VanDerWaalsContact OE2-CE 3.25Å; E321-K489 WeakPolarHBondContact OE2-CE 3.29Å; E321-K489 IonicContact OE2-NZ 2.92Å; E321-K489 PolarHBondContact OE2-NZ 3.38Å
322S93.6Very high93.6Very high8 Ų826.2 Ų26.26%0.05614%0.143CC..G310 helixtrans-97.4-8.6175.661.50000113.6H319 Y320 P324 L487 K489 Y495H319-S322 PolarHBondContact O-N 2.87Å; H319-S322 PolarHBondContact O-OG 2.79Å; Y320-S322 PolarHBondContact O-N 2.98Å; S322-P324 VanDerWaalsContact C-CD 3.44Å; S322-P324 VanDerWaalsContact C-N 3.31Å; S322-P324 VanDerWaalsContact O-N 3.09Å; S322-L487 VanDerWaalsContact O-CD1 3.23Å; S322-L487 WeakPolarHBondContact O-CD1 3.41Å; S322-K489 VanDerWaalsContact CA-O 3.25Å; S322-K489 WeakPolarHBondContact CA-O 3.38Å; S322-K489 WeakPolarHBondContact CB-O 3.49Å; S322-Y495 PolarHBondContact O-OH 3.36Å
323S92.6Very high93.6Very high4 Ų424.7 Ų24.73%0.02814%0.137CC..  trans36.950.8178.1-41.20000114.6H319 Y320 M325 E326 V327H319-S323 PolarHBondContact O-N 2.7Å; H319-S323 VanDerWaalsContact O-N 3.17Å; Y320-S323 PolarHBondContact O-N 2.95Å; Y320-S323 VanDerWaalsContact O-N 3.13Å; Y320-S323 PolarHBondContact O-OG 2.98Å; S323-M325 VanDerWaalsContact C-N 3.31Å; S323-M325 PolarHBondContact O-N 3.24Å; S323-E326 PolarHBondContact O-N 2.98Å; S323-E326 VanDerWaalsContact O-N 3.17Å; S323-V327 PolarHBondContact O-N 3.2Å; S323-V327 VanDerWaalsContact O-N 3.14Å
324P94Very high93.5Very high5 Ų524.9 Ų24.93%0.03214%0.138CC..Hα-helixtrans-61.8-37.6-169.925.2-35000113.3L316 H319 S322 L328 L494 Y495 L498L316-P324 HydrophobicContact CD1-CG 4.15Å; L316-P324 HydrophobicContact CD2-CG 4.32Å; H319-P324 HydrophobicContact CB-CG 4.24Å; H319-P324 WeakPolarHBondContact O-CD 3.27Å; S322-P324 VanDerWaalsContact C-CD 3.44Å; S322-P324 VanDerWaalsContact C-N 3.31Å; S322-P324 VanDerWaalsContact O-N 3.09Å; P324-L328 WeakPolarHBondContact O-CG 3.41Å; P324-L328 PolarHBondContact O-N 3.06Å; P324-L328 VanDerWaalsContact O-N 3.08Å; P324-L494 HydrophobicContact CB-CD2 4.18Å; P324-L494 HydrophobicContact CB-CG 4.45Å; P324-L494 HydrophobicContact CG-CD2 4.02Å; P324-Y495 VanDerWaalsContact CA-CE1 3.48Å; P324-Y495 HydrophobicContact CB-CD1 3.76Å; P324-Y495 HydrophobicContact CB-CE1 3.67Å; P324-L498 HydrophobicContact CB-CD1 3.54Å; P324-L498 HydrophobicContact CG-CD1 4.18Å
325M93.5Very high93.4Very high6 Ų623.8 Ų23.83%0.0313%0.127CC..Hα-helixtrans-69.1-40.5177.9-62.7-62.18600111.7L313 L316 S323 V327 L328 S329 V357 T370 F372 L498L313-M325 HydrophobicContact CD1-CE 3.92Å; L313-M325 HydrophobicContact CD1-SD 3.74Å; L316-M325 HydrophobicContact CD1-CE 3.49Å; L316-M325 VanDerWaalsContact CD1-CE 3.49Å; L316-M325 HydrophobicContact CD1-CG 3.73Å; L316-M325 HydrophobicContact CD1-SD 3.65Å; S323-M325 VanDerWaalsContact C-N 3.31Å; S323-M325 PolarHBondContact O-N 3.24Å; M325-V327 PolarHBondContact O-N 3.16Å; M325-L328 HydrophobicContact CE-CD1 3.93Å; M325-L328 PolarHBondContact O-N 3.3Å; M325-S329 WeakPolarHBondContact O-CB 3.47Å; M325-S329 PolarHBondContact O-N 2.88Å; M325-S329 PolarHBondContact O-OG 3.2Å; M325-V357 HydrophobicContact CB-CB 4.07Å; M325-V357 HydrophobicContact CB-CG2 4.11Å; M325-V357 HydrophobicContact CG-CB 4.24Å; M325-V357 HydrophobicContact CG-CG2 3.93Å; M325-V357 HydrophobicContact SD-CG2 3.86Å; M325-T370 HydrophobicContact CG-CG2 3.96Å; M325-T370 HydrophobicContact SD-CG2 3.89Å; M325-F372 HydrophobicContact SD-CD2 3.69Å; M325-F372 HydrophobicContact SD-CE2 4.38Å; M325-L498 HydrophobicContact CE-CD1 3.66Å
326E92.5Very high93.2Very high49 Ų4921.2 Ų21.223%0.22911%0.11CC..Hα-helixtrans-60.3-45.6176.4-65.6-64.7142.600112S323 S329 S330 C359 Y445 K449S323-E326 PolarHBondContact O-N 2.98Å; S323-E326 VanDerWaalsContact O-N 3.17Å; E326-S329 PolarHBondContact O-N 3.3Å; E326-S330 WeakPolarHBondContact O-CB 3.48Å; E326-S330 PolarHBondContact O-N 3.49Å; E326-C359 PolarHBondContact OE1-SG 3.36Å; E326-Y445 PolarHBondContact O-OH 2.84Å; E326-K449 IonicContact OE2-NZ 3.95Å
327V94.6Very high93Very high0 Ų029.4 Ų29.40%014%0.141CC..Hα-helixtrans-63.2-49.3178.6173.40000111.3S323 M325 S329 S330 L331 F438 Y441 L442 Y445 L487 Y495S323-V327 PolarHBondContact O-N 3.2Å; S323-V327 VanDerWaalsContact O-N 3.14Å; M325-V327 PolarHBondContact O-N 3.16Å; V327-S329 VanDerWaalsContact C-N 3.33Å; V327-S329 PolarHBondContact O-N 3.2Å; V327-S330 PolarHBondContact O-N 3.43Å; V327-L331 HydrophobicContact CG1-CD1 4.21Å; V327-L331 PolarHBondContact O-N 2.98Å; V327-L331 VanDerWaalsContact O-N 3.14Å; V327-F438 HydrophobicContact CG1-CE1 4.39Å; V327-F438 HydrophobicContact CG1-CZ 4.13Å; V327-Y441 HydrophobicContact CG1-CE1 4.5Å; V327-L442 HydrophobicContact CG1-CD2 3.76Å; V327-L442 HydrophobicContact CG2-CD2 4.22Å; V327-Y445 HydrophobicContact CG2-CD1 4.16Å; V327-Y445 HydrophobicContact CG2-CE1 3.91Å; V327-L487 HydrophobicContact CG2-CD1 4.32Å; V327-L487 HydrophobicContact CG2-CD2 4.13Å; V327-Y495 HydrophobicContact CG1-CE2 4.43Å
328L95.7Very high93.1Very high0 Ų028.9 Ų28.90%014%0.14CC..Hα-helixtrans-68.3-34179.9-66.3-175.9000112.1P324 M325 L331 I332 F372 F438 L498 L499 M502P324-L328 WeakPolarHBondContact O-CG 3.41Å; P324-L328 PolarHBondContact O-N 3.06Å; P324-L328 VanDerWaalsContact O-N 3.08Å; M325-L328 HydrophobicContact CE-CD1 3.93Å; M325-L328 PolarHBondContact O-N 3.3Å; L328-L331 PolarHBondContact O-N 2.89Å; L328-I332 WeakPolarHBondContact O-CB 3.43Å; L328-I332 VanDerWaalsContact O-CG1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.34Å; L328-I332 PolarHBondContact O-N 2.96Å; L328-F372 HydrophobicContact CB-CE2 4.46Å; L328-F438 HydrophobicContact CD2-CE2 4.41Å; L328-F438 HydrophobicContact CD2-CZ 4.32Å; L328-L498 HydrophobicContact CD1-CB 4.07Å; L328-L499 HydrophobicContact CD1-CG 4.41Å; L328-L499 HydrophobicContact CD2-CD1 4.15Å; L328-L499 HydrophobicContact CD2-CD2 3.95Å; L328-L499 HydrophobicContact CD2-CG 3.99Å; L328-M502 HydrophobicContact CD1-SD 4.24Å
329S94.9Very high93.3Very high13 Ų1322.7 Ų22.79%0.09111%0.106CC..Hα-helixtrans-64.6-45.6175.4-58.40000111.4M325 E326 V327 L331 G333 A355 G356M325-S329 WeakPolarHBondContact O-CB 3.47Å; M325-S329 PolarHBondContact O-N 2.88Å; M325-S329 PolarHBondContact O-OG 3.2Å; E326-S329 PolarHBondContact O-N 3.3Å; V327-S329 VanDerWaalsContact C-N 3.33Å; V327-S329 PolarHBondContact O-N 3.2Å; S329-L331 PolarHBondContact O-N 2.82Å; S329-G333 VanDerWaalsContact O-CA 3.3Å; S329-G333 WeakPolarHBondContact O-CA 3.42Å; S329-G333 PolarHBondContact O-N 3.36Å; S329-A355 WeakPolarHBondContact CB-O 3.48Å; S329-G356 WeakPolarHBondContact OG-CA 3.44Å
330S93.5Very high93.4Very high11 Ų1118.9 Ų18.98%0.0779%0.089CC..Hα-helixtrans-63.8-39.9177.8-178.70000111.9E326 V327 H334 Y441 E657E326-S330 WeakPolarHBondContact O-CB 3.48Å; E326-S330 PolarHBondContact O-N 3.49Å; V327-S330 PolarHBondContact O-N 3.43Å; S330-H334 WeakPolarHBondContact O-CA 3.33Å; S330-H334 WeakPolarHBondContact O-CB 3.47Å; S330-H334 PolarHBondContact O-N 3.11Å; S330-Y441 WeakPolarHBondContact CB-OH 3.26Å; S330-Y441 PolarHBondContact OG-OH 2.91Å; S330-E657 PolarHBondContact OG-OE2 3.32Å
331L95.7Very high93.5Very high0 Ų018.1 Ų18.10%09%0.086CC..Hα-helixtrans-69.8-48.9177.2-72.2168.3000113V327 L328 S329 H334 Y396 L400 F438 Y441 L562 P563V327-L331 HydrophobicContact CG1-CD1 4.21Å; V327-L331 PolarHBondContact O-N 2.98Å; V327-L331 VanDerWaalsContact O-N 3.14Å; L328-L331 PolarHBondContact O-N 2.89Å; S329-L331 PolarHBondContact O-N 2.82Å; L331-H334 WeakPolarHBondContact O-CB 3.38Å; L331-H334 PolarHBondContact O-N 3.09Å; L331-Y396 VanDerWaalsContact O-CE1 3.28Å; L331-Y396 WeakPolarHBondContact O-CE1 3.41Å; L331-Y396 PolarHBondContact O-OH 3.39Å; L331-L400 HydrophobicContact CB-CD1 4.08Å; L331-L400 HydrophobicContact CB-CD2 4.18Å; L331-L400 HydrophobicContact CD1-CD2 4.2Å; L331-L400 HydrophobicContact CD2-CD2 4.5Å; L331-F438 HydrophobicContact CD1-CD2 4.21Å; L331-F438 HydrophobicContact CD1-CE2 3.63Å; L331-F438 HydrophobicContact CD1-CZ 3.94Å; L331-Y441 HydrophobicContact CD1-CD1 4.11Å; L331-Y441 HydrophobicContact CD1-CE1 4Å; L331-Y441 HydrophobicContact CD2-CD1 3.78Å; L331-Y441 HydrophobicContact CD2-CD2 4.13Å; L331-Y441 HydrophobicContact CD2-CE1 3.6Å; L331-Y441 HydrophobicContact CD2-CE2 3.96Å; L331-Y441 HydrophobicContact CD2-CG 4.04Å; L331-Y441 HydrophobicContact CG-CD1 4.11Å; L331-Y441 HydrophobicContact CG-CE1 3.64Å; L331-L562 HydrophobicContact CD2-CD2 4.17Å; L331-L562 HydrophobicContact CD2-CG 4.47Å; L331-P563 HydrophobicContact CD2-CG 4.26Å
332I96.8Very high93.3Very high0 Ų017.6 Ų17.60%09%0.087CC..Hα-helixtrans-71.9-36.7-177.9-65.3170.5000111.2L328 H334 L353 A355 F372 V374 L393 I397 L400 M502L328-I332 WeakPolarHBondContact O-CB 3.43Å; L328-I332 VanDerWaalsContact O-CG1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.34Å; L328-I332 PolarHBondContact O-N 2.96Å; I332-H334 VanDerWaalsContact C-N 3.31Å; I332-L353 WeakPolarHBondContact O-CD2 3.4Å; I332-A355 HydrophobicContact CB-CB 4.03Å; I332-A355 HydrophobicContact CG2-CB 3.69Å; I332-F372 HydrophobicContact CD1-CE1 4.02Å; I332-F372 HydrophobicContact CD1-CZ 3.92Å; I332-V374 HydrophobicContact CG2-CG2 4.05Å; I332-L393 HydrophobicContact CG2-CD1 3.71Å; I332-I397 HydrophobicContact CD1-CG1 4.29Å; I332-L400 HydrophobicContact CD1-CD1 4.47Å; I332-L400 HydrophobicContact CG1-CD1 3.79Å; I332-M502 HydrophobicContact CD1-CE 3.63Å; I332-M502 HydrophobicContact CD1-SD 4.44Å
333G94.9Very high93.3Very high9 Ų918.1 Ų18.19%0.0939%0.089CC..THydrogen-bonded Turntrans-83.81.7177.900000114.7S329 E335S329-G333 VanDerWaalsContact O-CA 3.3Å; S329-G333 WeakPolarHBondContact O-CA 3.42Å; S329-G333 PolarHBondContact O-N 3.36Å; G333-E335 PolarHBondContact O-N 2.89Å
334H93.5Very high93.3Very high8 Ų817.9 Ų17.94%0.0379%0.087CC..  trans-56.7135.3-177.8-161.3-87.3000111.1S330 L331 I332 G336 S339 P563 Y653S330-H334 WeakPolarHBondContact O-CA 3.33Å; S330-H334 WeakPolarHBondContact O-CB 3.47Å; S330-H334 PolarHBondContact O-N 3.11Å; L331-H334 WeakPolarHBondContact O-CB 3.38Å; L331-H334 PolarHBondContact O-N 3.09Å; I332-H334 VanDerWaalsContact C-N 3.31Å; H334-G336 PolarHBondContact CE1-N 3.46Å; H334-G336 PolarHBondContact ND1-N 3.42Å; H334-S339 WeakPolarHBondContact O-CB 3.22Å; H334-S339 PolarHBondContact O-OG 3.47Å; H334-P563 WeakPolarHBondContact CD2-CG 3.38Å; H334-P563 WeakPolarHBondContact NE2-CB 3.36Å; H334-P563 VanDerWaalsContact NE2-CG 3.32Å; H334-P563 WeakPolarHBondContact NE2-CG 3.32Å; H334-Y653 HydrophobicContact CB-CE1 4.3Å; H334-Y653 AromaticContact CD2-CD1 3.8Å; H334-Y653 AromaticContact CD2-CE1 3.21Å; H334-Y653 WeakPolarHBondContact CD2-CE1 3.36Å; H334-Y653 AromaticContact CE1-CD1 3.66Å; H334-Y653 AromaticContact CE1-CE1 3.9Å; H334-Y653 AromaticContact CG-CE1 3.63Å; H334-Y653 AromaticContact NE2-CD1 3.51Å; H334-Y653 AromaticContact NE2-CE1 3.42Å; H334-Y653 WeakPolarHBondContact NE2-CE1 3.3Å
335E91.4Very high93.1Very high46 Ų4619 Ų1922%0.2159%0.092CC..  trans-105-9.7-179.5-54.4-166.5-164.400114.2G333 L341 S649 T650 Y653G333-E335 PolarHBondContact O-N 2.89Å; E335-L341 HydrophobicContact CB-CD2 4.07Å; E335-L341 HydrophobicContact CG-CD2 3.65Å; E335-S649 VanDerWaalsContact OE2-CB 3.24Å; E335-S649 WeakPolarHBondContact OE2-CB 3.4Å; E335-S649 PolarHBondContact OE2-OG 3.5Å; E335-T650 WeakPolarHBondContact O-CG2 3.29Å; E335-T650 PolarHBondContact O-OG1 3.28Å; E335-Y653 HydrophobicContact CB-CD2 3.4Å; E335-Y653 HydrophobicContact CB-CE2 3.92Å; E335-Y653 HydrophobicContact CB-CG 3.81Å; E335-Y653 HydrophobicContact CG-CD2 3.58Å; E335-Y653 HydrophobicContact CG-CE2 3.65Å; E335-Y653 HydrophobicContact CG-CG 4.45Å
336G88.5Confident92.8Very high1 Ų124.5 Ų24.51%0.0112%0.116CC..SBendtrans-70173.8177.100000114H334 G338 S339H334-G336 PolarHBondContact CE1-N 3.46Å; H334-G336 PolarHBondContact ND1-N 3.42Å; G336-G338 PolarHBondContact O-N 3.02Å; G336-S339 VanDerWaalsContact O-CB 3.27Å; G336-S339 WeakPolarHBondContact O-CB 3.39Å; G336-S339 PolarHBondContact O-N 2.87Å; G336-S339 PolarHBondContact O-OG 3.47Å; G336-S339 VanDerWaalsContact O-OG 3.06Å
337R87.6Confident92.6Very high182 Ų18225.8 Ų25.869%0.68712%0.121SC*.THydrogen-bonded Turntrans-56.9134.1-176.7-176.1178.9-179.7-178.61.3112.3H561 Y564R337-H561 PolarHBondContact O-CE1 3.17Å; R337-Y564 HydrophobicContact CB-CE2 4.05Å; R337-Y564 HydrophobicContact CG-CE2 4.1Å
338G91.2Very high92.3Very high6 Ų628 Ų286%0.06213%0.133CC..THydrogen-bonded Turntrans91.1-2.5-179.100000114.5G336 L560 H561G336-G338 PolarHBondContact O-N 3.02Å; G338-L560 WeakPolarHBondContact O-CA 3.36Å; G338-H561 WeakPolarHBondContact CA-NE2 3.22Å; G338-H561 PolarHBondContact O-N 3.14Å; G338-H561 VanDerWaalsContact O-O 3.11Å
339S94.4Very high92.2Very high1 Ų128 Ų281%0.00713%0.133CC..SBendtrans-80.7169.3177.179.90000113.5H334 G336 L341 A342 L343H334-S339 WeakPolarHBondContact O-CB 3.22Å; H334-S339 PolarHBondContact O-OG 3.47Å; G336-S339 VanDerWaalsContact O-CB 3.27Å; G336-S339 WeakPolarHBondContact O-CB 3.39Å; G336-S339 PolarHBondContact O-N 2.87Å; G336-S339 PolarHBondContact O-OG 3.47Å; G336-S339 VanDerWaalsContact O-OG 3.06Å; S339-L341 VanDerWaalsContact C-N 3.32Å; S339-L341 PolarHBondContact O-N 3.01Å; S339-L341 PolarHBondContact OG-N 3.05Å; S339-A342 PolarHBondContact O-N 2.91Å; S339-A342 PolarHBondContact OG-N 3.45Å; S339-A342 VanDerWaalsContact OG-N 3.15Å; S339-L343 PolarHBondContact O-N 3.24Å; S339-L343 VanDerWaalsContact O-N 3.17Å
340V96.7Very high92Very high0 Ų027.6 Ų27.60%013%0.131CC..Hα-helixtrans-54-50.2171.5-1800000110.3A342 L343 L344 L353 I392 L393 Y396V340-A342 PolarHBondContact O-N 3.42Å; V340-L343 PolarHBondContact O-N 3.45Å; V340-L344 HydrophobicContact CG1-CD1 3.75Å; V340-L344 HydrophobicContact CG1-CG 4.25Å; V340-L344 VanDerWaalsContact O-CG 3.24Å; V340-L344 WeakPolarHBondContact O-CG 3.3Å; V340-L344 PolarHBondContact O-N 3.22Å; V340-L353 HydrophobicContact CB-CD1 4.03Å; V340-L353 HydrophobicContact CG1-CD1 3.45Å; V340-L353 VanDerWaalsContact CG1-CD1 3.45Å; V340-I392 HydrophobicContact CG1-CG2 4.22Å; V340-L393 HydrophobicContact CG1-CB 4.4Å; V340-L393 HydrophobicContact CG1-CD1 4.3Å; V340-L393 HydrophobicContact CG2-CD1 4.18Å; V340-Y396 HydrophobicContact CG2-CD1 3.66Å; V340-Y396 HydrophobicContact CG2-CD2 3.97Å; V340-Y396 HydrophobicContact CG2-CE1 4.44Å; V340-Y396 HydrophobicContact CG2-CG 3.39Å
341L94Very high91.6Very high0 Ų027.5 Ų27.50%013%0.13CC..Hα-helixtrans-64-41.5-178.1-177.657.2000112.2E335 S339 L343 L344 K345 L353E335-L341 HydrophobicContact CB-CD2 4.07Å; E335-L341 HydrophobicContact CG-CD2 3.65Å; S339-L341 VanDerWaalsContact C-N 3.32Å; S339-L341 PolarHBondContact O-N 3.01Å; S339-L341 PolarHBondContact OG-N 3.05Å; L341-L343 VanDerWaalsContact C-N 3.31Å; L341-L343 PolarHBondContact O-N 3.36Å; L341-L344 PolarHBondContact O-N 3.36Å; L341-K345 HydrophobicContact CD1-CD 4.29Å; L341-K345 HydrophobicContact CD1-CG 3.99Å; L341-K345 HydrophobicContact CG-CD 4.18Å; L341-K345 HydrophobicContact CG-CG 4.3Å; L341-K345 WeakPolarHBondContact O-CB 3.46Å; L341-K345 PolarHBondContact O-N 3.16Å; L341-L353 HydrophobicContact CB-CB 4.11Å; L341-L353 HydrophobicContact CD1-CB 3.92Å; L341-L353 HydrophobicContact CD2-CB 4.47Å; L341-L353 HydrophobicContact CG-CB 4.38Å
342A90.6Very high91.3Very high21 Ų2129.6 Ų29.617%0.17415%0.145CC..Hα-helixtrans-60.5-42.1179.800000111.7S339 V340 K346S339-A342 PolarHBondContact O-N 2.91Å; S339-A342 PolarHBondContact OG-N 3.45Å; S339-A342 VanDerWaalsContact OG-N 3.15Å; V340-A342 PolarHBondContact O-N 3.42Å; A342-K346 WeakPolarHBondContact O-CB 3.33Å; A342-K346 PolarHBondContact O-N 3.35Å; A342-K346 VanDerWaalsContact O-N 3.07Å
343L92.9Very high91.1Very high18 Ų1830 Ų309%0.09415%0.146CC..Hα-helixtrans-69.3-43.6175.8-176.955.9000111.9S339 V340 L341 K345 K346 E347 I392 Q559 L560S339-L343 PolarHBondContact O-N 3.24Å; S339-L343 VanDerWaalsContact O-N 3.17Å; V340-L343 PolarHBondContact O-N 3.45Å; L341-L343 VanDerWaalsContact C-N 3.31Å; L341-L343 PolarHBondContact O-N 3.36Å; L343-K345 VanDerWaalsContact C-N 3.34Å; L343-K345 PolarHBondContact O-N 3.36Å; L343-K346 HydrophobicContact CD1-CD 4.46Å; L343-K346 PolarHBondContact O-N 3.14Å; L343-E347 HydrophobicContact CD1-CG 3.97Å; L343-E347 WeakPolarHBondContact O-CG 3.45Å; L343-E347 PolarHBondContact O-N 3.29Å; L343-I392 HydrophobicContact CB-CG2 4.49Å; L343-I392 HydrophobicContact CD2-CD1 4.32Å; L343-I392 HydrophobicContact CD2-CG1 4.24Å; L343-I392 HydrophobicContact CD2-CG2 3.9Å; L343-I392 HydrophobicContact CG-CD1 4.33Å; L343-I392 HydrophobicContact CG-CG2 4.37Å; L343-Q559 HydrophobicContact CD1-CB 4.41Å; L343-Q559 VanDerWaalsContact CD1-OE1 3.25Å; L343-Q559 HydrophobicContact CD2-CB 4.33Å; L343-L560 HydrophobicContact CB-CD2 4.03Å; L343-L560 HydrophobicContact CD2-CD1 4.2Å; L343-L560 HydrophobicContact CD2-CD2 3.77Å; L343-L560 HydrophobicContact CD2-CG 3.81Å
344L93.7Very high91.1Very high0 Ų032.7 Ų32.70%016%0.164CC..Hα-helixtrans-61.6-39.7177.4-68.1174.8000112.5V340 L341 N348 L349 A350 L353 I376 V389 I392V340-L344 HydrophobicContact CG1-CD1 3.75Å; V340-L344 HydrophobicContact CG1-CG 4.25Å; V340-L344 VanDerWaalsContact O-CG 3.24Å; V340-L344 WeakPolarHBondContact O-CG 3.3Å; V340-L344 PolarHBondContact O-N 3.22Å; L341-L344 PolarHBondContact O-N 3.36Å; L344-N348 PolarHBondContact O-N 2.86Å; L344-L349 HydrophobicContact CB-CB 4.44Å; L344-L349 HydrophobicContact CD2-CB 3.97Å; L344-L349 HydrophobicContact CD2-CD1 3.91Å; L344-L349 PolarHBondContact O-N 3.05Å; L344-A350 HydrophobicContact CB-CB 3.73Å; L344-A350 HydrophobicContact CD1-CB 3.98Å; L344-A350 HydrophobicContact CG-CB 4.4Å; L344-A350 PolarHBondContact O-N 3.43Å; L344-L353 HydrophobicContact CD1-CD1 4.14Å; L344-I376 HydrophobicContact CD1-CD1 4.19Å; L344-I376 HydrophobicContact CD1-CG2 4.2Å; L344-V389 HydrophobicContact CD1-CG1 4.14Å; L344-V389 HydrophobicContact CD2-CB 4.2Å; L344-V389 HydrophobicContact CD2-CG1 3.87Å; L344-V389 HydrophobicContact CD2-CG2 4.13Å; L344-I392 HydrophobicContact CD2-CB 4.3Å; L344-I392 HydrophobicContact CD2-CD1 3.71Å; L344-I392 HydrophobicContact CD2-CG2 4.27Å; L344-I392 HydrophobicContact CG-CG2 4.42Å
345K88.1Confident91.2Very high27 Ų2733.3 Ų33.312%0.11717%0.17CC..Hα-helixtrans-64.9-46.5174.7-80.4-177.2170.9-1780111.1L341 L343 E347 N348 A350 V351 Q646 S649L341-K345 HydrophobicContact CD1-CD 4.29Å; L341-K345 HydrophobicContact CD1-CG 3.99Å; L341-K345 HydrophobicContact CG-CD 4.18Å; L341-K345 HydrophobicContact CG-CG 4.3Å; L341-K345 WeakPolarHBondContact O-CB 3.46Å; L341-K345 PolarHBondContact O-N 3.16Å; L343-K345 VanDerWaalsContact C-N 3.34Å; L343-K345 PolarHBondContact O-N 3.36Å; K345-E347 VanDerWaalsContact C-N 3.31Å; K345-E347 PolarHBondContact O-N 3.07Å; K345-N348 PolarHBondContact O-N 2.67Å; K345-A350 WeakPolarHBondContact CG-O 3.47Å; K345-V351 WeakPolarHBondContact CE-O 3.49Å; K345-Q646 PolarHBondContact NZ-O 2.58Å; K345-S649 PolarHBondContact NZ-OG 3.29Å; K345-S649 VanDerWaalsContact NZ-OG 3.16Å
346K87Confident91.2Very high123 Ų12332 Ų3254%0.53517%0.169SC..Hα-helixtrans-58.5-40.8179.7179.3-170.2165.1-151.70112.5A342 L343 N348A342-K346 WeakPolarHBondContact O-CB 3.33Å; A342-K346 PolarHBondContact O-N 3.35Å; A342-K346 VanDerWaalsContact O-N 3.07Å; L343-K346 HydrophobicContact CD1-CD 4.46Å; L343-K346 PolarHBondContact O-N 3.14Å; K346-N348 PolarHBondContact O-N 3.21Å
347E90.2Very high91.3Very high75 Ų7532.4 Ų32.435%0.3517%0.172SC..THydrogen-bonded Turntrans-84.78.3178.1-60.3-63138.200112.8L343 K345 L349L343-E347 HydrophobicContact CD1-CG 3.97Å; L343-E347 WeakPolarHBondContact O-CG 3.45Å; L343-E347 PolarHBondContact O-N 3.29Å; K345-E347 VanDerWaalsContact C-N 3.31Å; K345-E347 PolarHBondContact O-N 3.07Å; E347-L349 HydrophobicContact CB-CD1 3.82Å; E347-L349 HydrophobicContact CB-CG 3.94Å; E347-L349 PolarHBondContact O-N 3.29Å
348N88.1Confident91.3Very high47 Ų4727.5 Ų27.525%0.25116%0.162SC..THydrogen-bonded Turntrans53.436.1-177-169.337.5000113.1L344 K345 K346 T379L344-N348 PolarHBondContact O-N 2.86Å; K345-N348 PolarHBondContact O-N 2.67Å; K346-N348 PolarHBondContact O-N 3.21Å; N348-T379 WeakPolarHBondContact O-CB 3.31Å; N348-T379 PolarHBondContact O-OG1 3.36Å
349L92Very high90.9Very high0 Ų027.9 Ų27.90%016%0.164CC..SBendtrans-95.9-33.4-179.5-68.4169.7000112.8L344 E347 T379 Y381 G382 H385 Q388 V389 I392L344-L349 HydrophobicContact CB-CB 4.44Å; L344-L349 HydrophobicContact CD2-CB 3.97Å; L344-L349 HydrophobicContact CD2-CD1 3.91Å; L344-L349 PolarHBondContact O-N 3.05Å; E347-L349 HydrophobicContact CB-CD1 3.82Å; E347-L349 HydrophobicContact CB-CG 3.94Å; E347-L349 PolarHBondContact O-N 3.29Å; L349-T379 PolarHBondContact O-N 3.08Å; L349-T379 VanDerWaalsContact O-N 3.17Å; L349-T379 PolarHBondContact O-OG1 3.11Å; L349-Y381 HydrophobicContact CD2-CD1 3.68Å; L349-Y381 HydrophobicContact CD2-CE1 3.74Å; L349-Y381 HydrophobicContact CG-CD1 4.38Å; L349-Y381 HydrophobicContact CG-CE1 4.48Å; L349-G382 VanDerWaalsContact O-CA 3.28Å; L349-G382 WeakPolarHBondContact O-CA 3.35Å; L349-H385 HydrophobicContact CD2-CB 3.9Å; L349-Q388 HydrophobicContact CD1-CG 4.09Å; L349-V389 HydrophobicContact CB-CG2 3.95Å; L349-V389 HydrophobicContact CD1-CG2 4.34Å; L349-V389 HydrophobicContact CD2-CG2 4.26Å; L349-V389 HydrophobicContact CG-CG2 4.42Å; L349-I392 HydrophobicContact CD1-CD1 3.7Å
350A91.1Very high90.4Very high4 Ų431 Ų313%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-142.4154.9-178.600000112.6L344 K345 I376 Q377L344-A350 HydrophobicContact CB-CB 3.73Å; L344-A350 HydrophobicContact CD1-CB 3.98Å; L344-A350 HydrophobicContact CG-CB 4.4Å; L344-A350 PolarHBondContact O-N 3.43Å; K345-A350 WeakPolarHBondContact CG-O 3.47Å; A350-I376 HydrophobicContact CB-CG2 3.44Å; A350-I376 VanDerWaalsContact CB-CG2 3.44Å; A350-Q377 CarbonylContact C-O 3.19Å; A350-Q377 VanDerWaalsContact CA-O 3.27Å; A350-Q377 WeakPolarHBondContact CA-O 3.43Å; A350-Q377 WeakPolarHBondContact CB-O 3.33Å
351V86Confident90Very high9 Ų932.7 Ų32.76%0.05519%0.194CC..EExtended strand (participates in β ladder)trans-96.6-40.8176.3-177.20000110.8K345 Q377 T379 Q646K345-V351 WeakPolarHBondContact CE-O 3.49Å; V351-Q377 HydrophobicContact CB-CG 4.37Å; V351-Q377 PolarHBondContact N-O 2.87Å; V351-T379 HydrophobicContact CG2-CG2 3.94Å; V351-Q646 PolarHBondContact O-OE1 3.33Å
352S88.9Confident89.8Confident45 Ų4533.7 Ų33.732%0.31520%0.199SC..EExtended strand (participates in β ladder)trans-149.1156.6-178.862.10000111.5I376 Q377S352-I376 WeakPolarHBondContact O-CA 3.43Å; S352-Q377 PolarHBondContact O-N 2.76Å; S352-Q377 WeakPolarHBondContact OG-CB 3.49Å
353L93.5Very high89.9Confident7 Ų734 Ų344%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-139.2133.9175.4-178.9152.5000108.2I332 V340 L341 L344 A355 V374 N375 I376I332-L353 WeakPolarHBondContact O-CD2 3.4Å; V340-L353 HydrophobicContact CB-CD1 4.03Å; V340-L353 HydrophobicContact CG1-CD1 3.45Å; V340-L353 VanDerWaalsContact CG1-CD1 3.45Å; L341-L353 HydrophobicContact CB-CB 4.11Å; L341-L353 HydrophobicContact CD1-CB 3.92Å; L341-L353 HydrophobicContact CD2-CB 4.47Å; L341-L353 HydrophobicContact CG-CB 4.38Å; L344-L353 HydrophobicContact CD1-CD1 4.14Å; L353-A355 HydrophobicContact CD2-CB 4.31Å; L353-V374 HydrophobicContact CD1-CG1 4.15Å; L353-V374 HydrophobicContact CD2-CG1 4.33Å; L353-V374 HydrophobicContact CG-CG1 4.07Å; L353-N375 CarbonylContact C-O 3.56Å; L353-N375 VanDerWaalsContact CA-O 3.29Å; L353-N375 WeakPolarHBondContact CA-O 3.28Å; L353-I376 HydrophobicContact CB-CG1 4.5Å; L353-I376 HydrophobicContact CD1-CD1 3.94Å; L353-I376 HydrophobicContact CD1-CG1 3.9Å; L353-I376 HydrophobicContact CG-CG1 4.05Å
354S94.2Very high89.9Confident66 Ų6633.9 Ų33.946%0.46220%0.197SC..EExtended strand (participates in β ladder)trans-127.1143.9165.265.80000109.5V374 N375S354-V374 CarbonylContact O-C 3.46Å; S354-V374 WeakPolarHBondContact O-CA 3.36Å; S354-N375 PolarHBondContact N-O 3.48Å; S354-N375 PolarHBondContact O-N 3.38Å
355A95.5Very high89.8Confident21 Ų2134.2 Ų34.217%0.17420%0.198CC..EExtended strand (participates in β ladder)trans-135.5136.4179.400000109.1S329 I332 L353 F372 T373 V374S329-A355 WeakPolarHBondContact CB-O 3.48Å; I332-A355 HydrophobicContact CB-CB 4.03Å; I332-A355 HydrophobicContact CG2-CB 3.69Å; L353-A355 HydrophobicContact CD2-CB 4.31Å; A355-F372 HydrophobicContact CB-CE1 4.34Å; A355-F372 HydrophobicContact CB-CZ 4.2Å; A355-T373 WeakPolarHBondContact CA-O 3.41Å; A355-V374 HydrophobicContact CB-CG2 3.89Å
356G91.8Very high90Very high18 Ų1833 Ų3319%0.18619%0.193CC..EExtended strand (participates in β ladder)trans151.6-160.8163.700000116.3S329 T373S329-G356 WeakPolarHBondContact OG-CA 3.44Å; G356-T373 PolarHBondContact N-O 3.35Å; G356-T373 PolarHBondContact O-N 3.36Å
357V91Very high90.2Very high11 Ų1129.6 Ų29.67%0.06719%0.185CC..  trans-135.7128.4-174.7174.90000106.7M325 C359 D364 N365 T370 F372M325-V357 HydrophobicContact CB-CB 4.07Å; M325-V357 HydrophobicContact CB-CG2 4.11Å; M325-V357 HydrophobicContact CG-CB 4.24Å; M325-V357 HydrophobicContact CG-CG2 3.93Å; M325-V357 HydrophobicContact SD-CG2 3.86Å; V357-C359 PolarHBondContact O-N 3.31Å; V357-C359 VanDerWaalsContact O-N 3.09Å; V357-D364 HydrophobicContact CG1-CB 3.86Å; V357-N365 HydrophobicContact CG1-CB 3.83Å; V357-T370 HydrophobicContact CB-CG2 4.45Å; V357-T370 HydrophobicContact CG1-CG2 3.86Å; V357-T370 HydrophobicContact CG2-CG2 3.76Å; V357-F372 HydrophobicContact CG2-CB 4.27Å; V357-F372 HydrophobicContact CG2-CD2 3.78Å; V357-F372 HydrophobicContact CG2-CG 4.4Å
358T87.3Confident90.3Very high79 Ų7926.7 Ų26.749%0.48517%0.172SC..  trans-75.899.9169.6-48.90000107.9T360 S361 D364T358-T360 PolarHBondContact O-N 3.25Å; T358-S361 VanDerWaalsContact O-CB 3.32Å; T358-S361 WeakPolarHBondContact O-CB 3.31Å; T358-S361 PolarHBondContact O-N 3.47Å; T358-D364 PolarHBondContact OG1-OD2 3.4Å
359C82.7Confident90.6Very high14 Ų1424.5 Ų24.510%0.09516%0.16CC..THydrogen-bonded Turntrans-59.1-25-170.1-70.30000114.8E326 V357 N365 Y484E326-C359 PolarHBondContact OE1-SG 3.36Å; V357-C359 PolarHBondContact O-N 3.31Å; V357-C359 VanDerWaalsContact O-N 3.09Å; C359-N365 PolarHBondContact O-ND2 3.05Å; C359-N365 VanDerWaalsContact O-ND2 3.08Å; C359-Y484 HydrophobicContact CB-CD1 3.6Å; C359-Y484 HydrophobicContact CB-CD2 4.47Å; C359-Y484 HydrophobicContact CB-CE1 3.77Å; C359-Y484 HydrophobicContact CB-CG 3.98Å
360T82.4Confident90.7Very high67 Ų6724.5 Ų24.541%0.41116%0.16SC..THydrogen-bonded Turntrans-93.2-5.617752.20000114T358 M471 L474T358-T360 PolarHBondContact O-N 3.25Å; T360-M471 HydrophobicContact CG2-SD 4.39Å; T360-L474 HydrophobicContact CG2-CD1 4.35Å
361S88.8Confident90.9Very high34 Ų3424.3 Ų24.324%0.23816%0.159CC..  trans-83.9122.1174.9174.80000109.8T358 F363 D364 N365T358-S361 VanDerWaalsContact O-CB 3.32Å; T358-S361 WeakPolarHBondContact O-CB 3.31Å; T358-S361 PolarHBondContact O-N 3.47Å; S361-F363 PolarHBondContact O-N 3.12Å; S361-F363 PolarHBondContact OG-N 3.08Å; S361-D364 PolarHBondContact O-N 2.84Å; S361-D364 PolarHBondContact OG-N 2.71Å; S361-N365 PolarHBondContact O-N 2.86Å
362D90.9Very high91.4Very high21 Ų2123.9 Ų23.911%0.11216%0.156CC..THydrogen-bonded Turntrans-79.23.3174.361.711.4000113.3N137 E138 Y139 S366N137-D362 HydrophobicContact CB-CB 4.25Å; N137-D362 PolarHBondContact N-OD1 3.39Å; N137-D362 PolarHBondContact N-OD2 2.96Å; N137-D362 PolarHBondContact ND2-O 2.88Å; E138-D362 HydrophobicContact CB-CB 4.14Å; E138-D362 HydrophobicContact CG-CB 4.33Å; E138-D362 PolarHBondContact N-OD2 3.05Å; Y139-D362 HydrophobicContact CD2-CB 4Å; Y139-D362 HydrophobicContact CE2-CB 4.3Å; Y139-D362 PolarHBondContact N-OD2 3.35Å; Y139-D362 VanDerWaalsContact N-OD2 3.13Å; D362-S366 WeakPolarHBondContact O-CB 3.28Å
363F92.1Very high91.7Very high28 Ų2822 Ų2212%0.12314%0.143CC..THydrogen-bonded Turntrans-82.9-51.5162.1-177.1-92.7000111.3N137 H195 I198 Y208 S361 I371N137-F363 VanDerWaalsContact ND2-CA 3.29Å; N137-F363 WeakPolarHBondContact ND2-CA 3.41Å; H195-F363 HydrophobicContact CB-CE1 4.33Å; H195-F363 HydrophobicContact CB-CE2 4.18Å; H195-F363 HydrophobicContact CB-CZ 3.93Å; H195-F363 WeakPolarHBondContact O-CZ 3.43Å; I198-F363 HydrophobicContact CB-CZ 4.38Å; I198-F363 HydrophobicContact CG2-CZ 4.28Å; Y208-F363 HydrophobicContact CD1-CD2 4.4Å; Y208-F363 HydrophobicContact CD1-CE2 4.23Å; Y208-F363 HydrophobicContact CE1-CD2 4.09Å; Y208-F363 HydrophobicContact CE1-CE2 4.23Å; Y208-F363 PolarHBondContact OH-O 3.18Å; S361-F363 PolarHBondContact O-N 3.12Å; S361-F363 PolarHBondContact OG-N 3.08Å; F363-I371 HydrophobicContact CD1-CD1 4.42Å; F363-I371 HydrophobicContact CE1-CD1 4.02Å; F363-I371 HydrophobicContact CZ-CD1 4.23Å; F363-I371 WeakPolarHBondContact O-CD1 3.28Å
364D92.1Very high91.9Very high16 Ų1621.7 Ų21.79%0.08614%0.141CC..THydrogen-bonded Turntrans-82.3-29.8-175.3-62.2-38.5000112.9V357 T358 S361 T370 I371V357-D364 HydrophobicContact CG1-CB 3.86Å; T358-D364 PolarHBondContact OG1-OD2 3.4Å; S361-D364 PolarHBondContact O-N 2.84Å; S361-D364 PolarHBondContact OG-N 2.71Å; D364-T370 CarbonylContact O-C 3.59Å; D364-T370 VanDerWaalsContact O-CA 3.23Å; D364-T370 WeakPolarHBondContact O-CA 3.27Å; D364-I371 PolarHBondContact O-N 2.96Å
365N92.5Very high92Very high7 Ų721.4 Ų21.44%0.03713%0.134CC..BIsolated β-bridgetrans-136.464.4-174.9-168.139.3000111.7V357 C359 S361 T370V357-N365 HydrophobicContact CG1-CB 3.83Å; C359-N365 PolarHBondContact O-ND2 3.05Å; C359-N365 VanDerWaalsContact O-ND2 3.08Å; S361-N365 PolarHBondContact O-N 2.86Å; N365-T370 PolarHBondContact OD1-OG1 2.77Å
366S93Very high92Very high0 Ų020.6 Ų20.60%013%0.127CC..  trans-84.3174.5-178.670.60000112.9Y208 D362 L368 C369Y208-S366 WeakPolarHBondContact OH-CB 3.42Å; Y208-S366 PolarHBondContact OH-OG 3.19Å; D362-S366 WeakPolarHBondContact O-CB 3.28Å; S366-L368 PolarHBondContact O-N 2.77Å; S366-L368 PolarHBondContact OG-N 3.05Å; S366-L368 VanDerWaalsContact OG-N 3.17Å; S366-C369 PolarHBondContact N-O 2.98Å; S366-C369 VanDerWaalsContact N-O 3.14Å; S366-C369 PolarHBondContact OG-N 3.27Å; S366-C369 PolarHBondContact OG-O 3.21Å
367S91.4Very high92Very high53 Ų5321.5 Ų21.537%0.37113%0.126SC..SBendtrans-65.1-1516973.90000114.1E138E138-S367 VanDerWaalsContact OE1-CB 3.24Å; E138-S367 WeakPolarHBondContact OE1-CB 3.04Å; E138-S367 PolarHBondContact OE1-N 3.49Å; E138-S367 VanDerWaalsContact OE1-N 3.1Å; E138-S367 PolarHBondContact OE1-OG 2.71Å; E138-S367 PolarHBondContact OE2-N 3.05Å; E138-S367 VanDerWaalsContact OE2-N 3.12Å
368L92.3Very high92Very high13 Ų1321.4 Ų21.47%0.06813%0.126CC..SBendtrans-93-42.2-177.3-66.4178000113.5F90 P207 Y208 L281 C283 P286 S366F90-L368 HydrophobicContact CD2-CD1 4.31Å; F90-L368 HydrophobicContact CE2-CD1 3.97Å; P207-L368 HydrophobicContact CB-CD1 4.35Å; P207-L368 HydrophobicContact CG-CD1 3.96Å; Y208-L368 HydrophobicContact CD2-CD1 4.27Å; Y208-L368 HydrophobicContact CE2-CB 4.22Å; Y208-L368 HydrophobicContact CE2-CD1 4.2Å; L281-L368 HydrophobicContact CB-CD2 3.86Å; L281-L368 HydrophobicContact CB-CG 4.29Å; L281-L368 WeakPolarHBondContact O-CD2 3.24Å; C283-L368 HydrophobicContact CB-CD2 3.96Å; P286-L368 HydrophobicContact CG-CB 4.25Å; S366-L368 PolarHBondContact O-N 2.77Å; S366-L368 PolarHBondContact OG-N 3.05Å; S366-L368 VanDerWaalsContact OG-N 3.17Å
369C93.5Very high92Very high2 Ų218.2 Ų18.21%0.01411%0.106CC..  trans-164.7167.2-178.761.40000112Y208 P286 I312 L313 S366Y208-C369 VanDerWaalsContact CE2-SG 3.55Å; P286-C369 HydrophobicContact CG-CB 3.8Å; I312-C369 HydrophobicContact CG2-CB 3.81Å; L313-C369 WeakPolarHBondContact O-CB 3.39Å; S366-C369 PolarHBondContact N-O 2.98Å; S366-C369 VanDerWaalsContact N-O 3.14Å; S366-C369 PolarHBondContact OG-N 3.27Å; S366-C369 PolarHBondContact OG-O 3.21Å
370T94.6Very high92.1Very high0 Ų021.5 Ų21.50%012%0.123CC..EExtended strand (participates in β ladder)trans-111.5124.5169.7-59.90000110.1L313 P314 L316 M325 V357 D364 N365L313-T370 WeakPolarHBondContact CB-O 3.37Å; L313-T370 PolarHBondContact N-O 3.48Å; L313-T370 PolarHBondContact O-N 3.24Å; P314-T370 PolarHBondContact O-OG1 3.46Å; L316-T370 WeakPolarHBondContact CB-OG1 3.45Å; L316-T370 HydrophobicContact CD1-CG2 4.31Å; L316-T370 PolarHBondContact N-OG1 3.12Å; M325-T370 HydrophobicContact CG-CG2 3.96Å; M325-T370 HydrophobicContact SD-CG2 3.89Å; V357-T370 HydrophobicContact CB-CG2 4.45Å; V357-T370 HydrophobicContact CG1-CG2 3.86Å; V357-T370 HydrophobicContact CG2-CG2 3.76Å; D364-T370 CarbonylContact O-C 3.59Å; D364-T370 VanDerWaalsContact O-CA 3.23Å; D364-T370 WeakPolarHBondContact O-CA 3.27Å; N365-T370 PolarHBondContact OD1-OG1 2.77Å
371I94.8Very high92.4Very high0 Ų023.1 Ų23.10%012%0.122CC..EExtended strand (participates in β ladder)trans-97.999.1-179.4-53-174.6000108.8I198 Y208 F287 V310 I312 F363 D364I198-I371 HydrophobicContact CG2-CD1 4.48Å; Y208-I371 HydrophobicContact CE1-CD1 3.87Å; F287-I371 HydrophobicContact CE2-CD1 4.31Å; F287-I371 HydrophobicContact CZ-CD1 3.93Å; V310-I371 HydrophobicContact CG1-CG2 3.49Å; V310-I371 VanDerWaalsContact CG1-CG2 3.49Å; I312-I371 HydrophobicContact CD1-CB 4.36Å; I312-I371 HydrophobicContact CD1-CD1 4.29Å; I312-I371 HydrophobicContact CD1-CG1 3.84Å; I312-I371 HydrophobicContact CD1-CG2 4.1Å; F363-I371 HydrophobicContact CD1-CD1 4.42Å; F363-I371 HydrophobicContact CE1-CD1 4.02Å; F363-I371 HydrophobicContact CZ-CD1 4.23Å; F363-I371 WeakPolarHBondContact O-CD1 3.28Å; D364-I371 PolarHBondContact O-N 2.96Å
372F96.1Very high92.5Very high0 Ų021.5 Ų21.50%011%0.111CC..EExtended strand (participates in β ladder)trans-83.1123.1175.8-167.3-85.7000110.1V310 W311 L313 M325 L328 I332 A355 V357 V374 M502V310-F372 WeakPolarHBondContact CA-O 3.37Å; W311-F372 HydrophobicContact CE3-CD1 4.05Å; W311-F372 HydrophobicContact CZ3-CD1 4.3Å; W311-F372 PolarHBondContact N-O 3.41Å; W311-F372 PolarHBondContact O-N 2.77Å; L313-F372 HydrophobicContact CD1-CB 3.85Å; L313-F372 HydrophobicContact CG-CB 4.44Å; M325-F372 HydrophobicContact SD-CD2 3.69Å; M325-F372 HydrophobicContact SD-CE2 4.38Å; L328-F372 HydrophobicContact CB-CE2 4.46Å; I332-F372 HydrophobicContact CD1-CE1 4.02Å; I332-F372 HydrophobicContact CD1-CZ 3.92Å; A355-F372 HydrophobicContact CB-CE1 4.34Å; A355-F372 HydrophobicContact CB-CZ 4.2Å; V357-F372 HydrophobicContact CG2-CB 4.27Å; V357-F372 HydrophobicContact CG2-CD2 3.78Å; V357-F372 HydrophobicContact CG2-CG 4.4Å; F372-V374 HydrophobicContact CD1-CG2 4.3Å; F372-V374 HydrophobicContact CE1-CG2 3.73Å; F372-M502 HydrophobicContact CD1-CE 3.42Å; F372-M502 VanDerWaalsContact CD1-CE 3.42Å; F372-M502 HydrophobicContact CE1-CE 3.46Å; F372-M502 VanDerWaalsContact CE1-CE 3.46Å; F372-M502 HydrophobicContact CG-CE 4.02Å; F372-M502 HydrophobicContact CZ-CE 4.1Å
373T96Very high92.5Very high6 Ų622.6 Ų22.64%0.03711%0.113CC..EExtended strand (participates in β ladder)trans-117.5134.1-177.8-62.70000111.2R308 I309 A355 G356 N375R308-T373 HydrophobicContact CG-CG2 3.62Å; R308-T373 PolarHBondContact NH2-OG1 3.28Å; I309-T373 WeakPolarHBondContact O-CA 3.27Å; A355-T373 WeakPolarHBondContact CA-O 3.41Å; G356-T373 PolarHBondContact N-O 3.35Å; G356-T373 PolarHBondContact O-N 3.36Å; T373-N375 WeakPolarHBondContact CG2-ND2 3.26Å
374V97.6Very high92.5Very high0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-112121.6162.9-179.60000108.8R308 I309 W311 I332 L353 S354 A355 F372 I376 L393R308-V374 CarbonylContact C-O 3.59Å; R308-V374 WeakPolarHBondContact CA-O 3.2Å; I309-V374 HydrophobicContact CB-CB 4.48Å; I309-V374 PolarHBondContact N-O 2.81Å; I309-V374 PolarHBondContact O-N 2.99Å; W311-V374 HydrophobicContact CH2-CG2 4.47Å; W311-V374 HydrophobicContact CZ3-CB 4.44Å; W311-V374 HydrophobicContact CZ3-CG2 3.84Å; I332-V374 HydrophobicContact CG2-CG2 4.05Å; L353-V374 HydrophobicContact CD1-CG1 4.15Å; L353-V374 HydrophobicContact CD2-CG1 4.33Å; L353-V374 HydrophobicContact CG-CG1 4.07Å; S354-V374 CarbonylContact O-C 3.46Å; S354-V374 WeakPolarHBondContact O-CA 3.36Å; A355-V374 HydrophobicContact CB-CG2 3.89Å; F372-V374 HydrophobicContact CD1-CG2 4.3Å; F372-V374 HydrophobicContact CE1-CG2 3.73Å; V374-I376 HydrophobicContact CG1-CD1 4.22Å; V374-I376 HydrophobicContact CG1-CG1 3.99Å; V374-L393 HydrophobicContact CB-CD2 4.15Å; V374-L393 HydrophobicContact CG1-CD1 4.47Å; V374-L393 HydrophobicContact CG1-CD2 3.94Å; V374-L393 HydrophobicContact CG2-CD2 4.21Å
375N95.6Very high92.7Very high60 Ų6028.6 Ų28.632%0.32114%0.144SC..EExtended strand (participates in β ladder)trans-107.7129.9175.6-57.9-73.1000109.5L307 R308 L353 S354 T373L307-N375 CarbonylContact O-C 3.55Å; R308-N375 WeakPolarHBondContact CD-OD1 3.1Å; R308-N375 WeakPolarHBondContact CG-OD1 3.17Å; L353-N375 CarbonylContact C-O 3.56Å; L353-N375 VanDerWaalsContact CA-O 3.29Å; L353-N375 WeakPolarHBondContact CA-O 3.28Å; S354-N375 PolarHBondContact N-O 3.48Å; S354-N375 PolarHBondContact O-N 3.38Å; T373-N375 WeakPolarHBondContact CG2-ND2 3.26Å
376I95.9Very high92.8Very high3 Ų329 Ų292%0.01515%0.146CC..EExtended strand (participates in β ladder)trans-128.1125.3179.9-51.7178.7000108.3K306 L307 L344 A350 S352 L353 V374 L378 V389K306-I376 WeakPolarHBondContact CA-O 3.3Å; L307-I376 HydrophobicContact CB-CB 4.26Å; L307-I376 PolarHBondContact N-O 2.81Å; L307-I376 PolarHBondContact O-N 3.01Å; L344-I376 HydrophobicContact CD1-CD1 4.19Å; L344-I376 HydrophobicContact CD1-CG2 4.2Å; A350-I376 HydrophobicContact CB-CG2 3.44Å; A350-I376 VanDerWaalsContact CB-CG2 3.44Å; S352-I376 WeakPolarHBondContact O-CA 3.43Å; L353-I376 HydrophobicContact CB-CG1 4.5Å; L353-I376 HydrophobicContact CD1-CD1 3.94Å; L353-I376 HydrophobicContact CD1-CG1 3.9Å; L353-I376 HydrophobicContact CG-CG1 4.05Å; V374-I376 HydrophobicContact CG1-CD1 4.22Å; V374-I376 HydrophobicContact CG1-CG1 3.99Å; I376-L378 HydrophobicContact CG2-CD2 4.08Å; I376-V389 HydrophobicContact CD1-CG1 3.63Å; I376-V389 HydrophobicContact CG2-CG1 4.22Å
377Q91.6Very high93Very high37 Ų3732 Ų3217%0.17316%0.159CC..EExtended strand (participates in β ladder)trans-87.1118.9169.6-177.4169.6-25.400108.9A350 V351 S352A350-Q377 CarbonylContact C-O 3.19Å; A350-Q377 VanDerWaalsContact CA-O 3.27Å; A350-Q377 WeakPolarHBondContact CA-O 3.43Å; A350-Q377 WeakPolarHBondContact CB-O 3.33Å; V351-Q377 HydrophobicContact CB-CG 4.37Å; V351-Q377 PolarHBondContact N-O 2.87Å; S352-Q377 PolarHBondContact O-N 2.76Å; S352-Q377 WeakPolarHBondContact OG-CB 3.49Å
378L91.8Very high93.3Very high10 Ų1033.1 Ų33.15%0.05216%0.159CC..EExtended strand (participates in β ladder)trans-87.8151.5-173.8-59.5173.7000111.4E305 L307 I376 I386 V389 F511E305-L378 HydrophobicContact CB-CB 4.19Å; E305-L378 PolarHBondContact O-N 2.66Å; L307-L378 HydrophobicContact CB-CD1 4.14Å; L307-L378 HydrophobicContact CB-CD2 4.27Å; L307-L378 HydrophobicContact CB-CG 4.27Å; I376-L378 HydrophobicContact CG2-CD2 4.08Å; L378-I386 HydrophobicContact CD1-CG2 3.82Å; L378-V389 HydrophobicContact CD2-CG1 4.18Å; L378-V389 HydrophobicContact CD2-CG2 4.01Å; L378-F511 HydrophobicContact CD1-CD2 4.11Å; L378-F511 HydrophobicContact CD1-CE2 3.85Å
379T87Confident93.5Very high11 Ų1132.5 Ų32.57%0.06716%0.156CC..PPolyproline II helixtrans-81.3173.1160.364.20000109.7N348 L349 V351 Y381 G382 R383N348-T379 WeakPolarHBondContact O-CB 3.31Å; N348-T379 PolarHBondContact O-OG1 3.36Å; L349-T379 PolarHBondContact O-N 3.08Å; L349-T379 VanDerWaalsContact O-N 3.17Å; L349-T379 PolarHBondContact O-OG1 3.11Å; V351-T379 HydrophobicContact CG2-CG2 3.94Å; T379-Y381 PolarHBondContact O-N 3.12Å; T379-Y381 PolarHBondContact OG1-N 3.35Å; T379-G382 PolarHBondContact O-N 3.48Å; T379-G382 PolarHBondContact OG1-N 3.48Å; T379-R383 WeakPolarHBondContact O-CB 3.37Å; T379-R383 PolarHBondContact O-N 3.49Å
380D84.1Confident93.7Very high84 Ų8432.5 Ų32.545%0.44916%0.155SC..Hα-helixtrans-58.5-38.5170.2-81-29.6000112.3R383 D384D380-R383 WeakPolarHBondContact O-CB 3.44Å; D380-R383 PolarHBondContact O-N 2.74Å; D380-R383 PolarHBondContact O-NH2 2.98Å; D380-R383 IonicContact OD1-CZ 3.36Å; D380-R383 IonicContact OD1-NH1 3.4Å; D380-R383 PolarHBondContact OD1-NH1 2.88Å; D380-R383 IonicContact OD1-NH2 3.14Å; D380-D384 PolarHBondContact O-N 3.46Å
381Y88.3Confident93.8Very high101 Ų10132.9 Ų32.940%0.39616%0.16SC..Hα-helixtrans-67.4-43176-175.2-109.9000111.2L349 T379 R383 D384 H385L349-Y381 HydrophobicContact CD2-CD1 3.68Å; L349-Y381 HydrophobicContact CD2-CE1 3.74Å; L349-Y381 HydrophobicContact CG-CD1 4.38Å; L349-Y381 HydrophobicContact CG-CE1 4.48Å; T379-Y381 PolarHBondContact O-N 3.12Å; T379-Y381 PolarHBondContact OG1-N 3.35Å; Y381-R383 VanDerWaalsContact C-N 3.34Å; Y381-R383 PolarHBondContact O-N 2.96Å; Y381-D384 PolarHBondContact O-N 3.24Å; Y381-H385 AromaticContact CD2-CE1 3.59Å; Y381-H385 AromaticContact CD2-ND1 3.69Å; Y381-H385 AromaticContact CE2-CE1 3.13Å; Y381-H385 WeakPolarHBondContact CE2-CE1 3.44Å; Y381-H385 AromaticContact CE2-ND1 3.53Å; Y381-H385 AromaticContact CE2-NE2 3.76Å; Y381-H385 AromaticContact CZ-CE1 3.61Å; Y381-H385 AromaticContact CZ-ND1 3.77Å; Y381-H385 AromaticContact CZ-NE2 3.9Å; Y381-H385 PolarHBondContact O-N 3.49Å; Y381-H385 PolarHBondContact O-ND1 2.74Å
382G92.1Very high94Very high0 Ų033.8 Ų33.80%016%0.164CC..Hα-helixtrans-65.2-33.8175.500000114.3L349 T379 D384 H385 I386L349-G382 VanDerWaalsContact O-CA 3.28Å; L349-G382 WeakPolarHBondContact O-CA 3.35Å; T379-G382 PolarHBondContact O-N 3.48Å; T379-G382 PolarHBondContact OG1-N 3.48Å; G382-D384 VanDerWaalsContact C-N 3.25Å; G382-D384 PolarHBondContact O-N 3.22Å; G382-H385 CarbonylContact O-C 3.57Å; G382-H385 VanDerWaalsContact O-C 3.27Å; G382-H385 PolarHBondContact O-N 3.31Å; G382-H385 VanDerWaalsContact O-N 3.11Å; G382-I386 PolarHBondContact O-N 3.13Å; G382-I386 VanDerWaalsContact O-N 3.08Å
383R91.1Very high94Very high43 Ų4333.8 Ų33.816%0.16216%0.164CC..Hα-helixtrans-55.9-42171.1-178.6-159.260.5-130.4-16.8111.3E305 T379 D380 Y381 H385 I386 F511E305-R383 HydrophobicContact CB-CB 4.39Å; E305-R383 HydrophobicContact CB-CG 4.41Å; E305-R383 HydrophobicContact CG-CB 4.33Å; E305-R383 HydrophobicContact CG-CG 4.06Å; E305-R383 WeakPolarHBondContact OE1-CD 3.49Å; E305-R383 WeakPolarHBondContact OE2-CG 3.48Å; T379-R383 WeakPolarHBondContact O-CB 3.37Å; T379-R383 PolarHBondContact O-N 3.49Å; D380-R383 WeakPolarHBondContact O-CB 3.44Å; D380-R383 PolarHBondContact O-N 2.74Å; D380-R383 PolarHBondContact O-NH2 2.98Å; D380-R383 IonicContact OD1-CZ 3.36Å; D380-R383 IonicContact OD1-NH1 3.4Å; D380-R383 PolarHBondContact OD1-NH1 2.88Å; D380-R383 IonicContact OD1-NH2 3.14Å; Y381-R383 VanDerWaalsContact C-N 3.34Å; Y381-R383 PolarHBondContact O-N 2.96Å; R383-H385 VanDerWaalsContact C-N 3.28Å; R383-H385 PolarHBondContact O-N 2.59Å; R383-I386 WeakPolarHBondContact O-CG2 3.39Å; R383-F511 HydrophobicContact CG-CE2 4.05Å; R383-F511 HydrophobicContact CG-CZ 3.56Å
384D91.9Very high94.1Very high104 Ų10433.6 Ų33.656%0.55616%0.163SC*.Hα-helixtrans-83.1-9.7-178.2-59.2-23.6000112.1D380 Y381 G382D380-D384 PolarHBondContact O-N 3.46Å; Y381-D384 PolarHBondContact O-N 3.24Å; G382-D384 VanDerWaalsContact C-N 3.25Å; G382-D384 PolarHBondContact O-N 3.22Å
385H95Very high94.1Very high67 Ų6735 Ų3531%0.3117%0.17SC..THydrogen-bonded Turntrans-127.535.2-176.4-59.380.8000113L349 Y381 G382 R383 F387 Q388 V389L349-H385 HydrophobicContact CD2-CB 3.9Å; Y381-H385 AromaticContact CD2-CE1 3.59Å; Y381-H385 AromaticContact CD2-ND1 3.69Å; Y381-H385 AromaticContact CE2-CE1 3.13Å; Y381-H385 WeakPolarHBondContact CE2-CE1 3.44Å; Y381-H385 AromaticContact CE2-ND1 3.53Å; Y381-H385 AromaticContact CE2-NE2 3.76Å; Y381-H385 AromaticContact CZ-CE1 3.61Å; Y381-H385 AromaticContact CZ-ND1 3.77Å; Y381-H385 AromaticContact CZ-NE2 3.9Å; Y381-H385 PolarHBondContact O-N 3.49Å; Y381-H385 PolarHBondContact O-ND1 2.74Å; G382-H385 CarbonylContact O-C 3.57Å; G382-H385 VanDerWaalsContact O-C 3.27Å; G382-H385 PolarHBondContact O-N 3.31Å; G382-H385 VanDerWaalsContact O-N 3.11Å; R383-H385 VanDerWaalsContact C-N 3.28Å; R383-H385 PolarHBondContact O-N 2.59Å; H385-F387 PolarHBondContact O-N 2.92Å; H385-Q388 HydrophobicContact CB-CB 4.25Å; H385-Q388 WeakPolarHBondContact O-CB 3.38Å; H385-Q388 PolarHBondContact O-N 2.94Å; H385-V389 PolarHBondContact O-N 3.47Å
386I96Very high94.2Very high16 Ų1632.1 Ų32.18%0.08216%0.155CC..Hα-helixtrans-53.4-33.7-176.461.3174.8000113.8L295 L307 L378 G382 R383 Q388 V389 C390 F511L295-I386 HydrophobicContact CD1-CD1 4.04Å; L295-I386 HydrophobicContact CD2-CD1 3.94Å; L307-I386 HydrophobicContact CD1-CB 4.44Å; L307-I386 HydrophobicContact CD1-CG2 4.5Å; L378-I386 HydrophobicContact CD1-CG2 3.82Å; G382-I386 PolarHBondContact O-N 3.13Å; G382-I386 VanDerWaalsContact O-N 3.08Å; R383-I386 WeakPolarHBondContact O-CG2 3.39Å; I386-Q388 VanDerWaalsContact C-N 3.32Å; I386-Q388 PolarHBondContact O-N 3.35Å; I386-V389 WeakPolarHBondContact O-CB 3.32Å; I386-V389 PolarHBondContact O-N 3.31Å; I386-C390 PolarHBondContact O-N 3.02Å; I386-C390 PolarHBondContact O-SG 2.88Å; I386-C390 VanDerWaalsContact O-SG 3.37Å; I386-F511 HydrophobicContact CD1-CD1 4.09Å; I386-F511 HydrophobicContact CD1-CG 4.32Å; I386-F511 HydrophobicContact CG2-CD2 4.13Å; I386-F511 HydrophobicContact CG2-CE2 4.08Å; I386-F511 HydrophobicContact CG2-CG 4.43Å; I386-F511 HydrophobicContact CG2-CZ 4.31Å
387F96.6Very high94.2Very high61 Ų6132.3 Ų32.327%0.26816%0.156SC..Hα-helixtrans-71.9-28-179.5-64.5-41.3000113.1L295 H385 G391 I546 W550L295-F387 HydrophobicContact CD2-CE1 4.32Å; L295-F387 HydrophobicContact CD2-CZ 4.23Å; H385-F387 PolarHBondContact O-N 2.92Å; F387-G391 PolarHBondContact O-N 3.29Å; F387-I546 HydrophobicContact CB-CG2 4.08Å; F387-I546 HydrophobicContact CD1-CG2 4.14Å; F387-I546 HydrophobicContact CD2-CD1 4.44Å; F387-I546 HydrophobicContact CD2-CG1 4.32Å; F387-I546 HydrophobicContact CD2-CG2 4.37Å; F387-I546 HydrophobicContact CG-CG2 3.96Å; F387-W550 HydrophobicContact CB-CZ2 3.8Å; F387-W550 AromaticContact CD1-CH2 3.67Å; F387-W550 HydrophobicContact CD1-CH2 3.67Å; F387-W550 AromaticContact CD1-CZ2 3.63Å; F387-W550 HydrophobicContact CD1-CZ2 3.63Å; F387-W550 HydrophobicContact CE1-CH2 4.25Å; F387-W550 HydrophobicContact CG-CZ2 4.07Å; F387-W550 WeakPolarHBondContact O-CZ2 3.47Å; F387-W550 PolarHBondContact O-NE1 3.48Å
388Q96.6Very high94.5Very high78 Ų7833 Ų3336%0.36416%0.158SC..Hα-helixtrans-69.3-41.5171.1-175.1179.6-5.500110.5L349 H385 I386 G391 I392L349-Q388 HydrophobicContact CD1-CG 4.09Å; H385-Q388 HydrophobicContact CB-CB 4.25Å; H385-Q388 WeakPolarHBondContact O-CB 3.38Å; H385-Q388 PolarHBondContact O-N 2.94Å; I386-Q388 VanDerWaalsContact C-N 3.32Å; I386-Q388 PolarHBondContact O-N 3.35Å; Q388-G391 PolarHBondContact O-N 2.89Å; Q388-I392 HydrophobicContact CG-CD1 4.35Å; Q388-I392 WeakPolarHBondContact O-CG1 3.17Å; Q388-I392 PolarHBondContact O-N 2.94Å
389V97.6Very high94.7Very high0 Ų033.3 Ų33.30%016%0.16CC..Hα-helixtrans-58.5-49.1175.7179.10000111.1L307 L344 L349 I376 L378 H385 I386 G391 I392 L393L307-V389 HydrophobicContact CD2-CB 4.25Å; L307-V389 HydrophobicContact CD2-CG1 3.88Å; L344-V389 HydrophobicContact CD1-CG1 4.14Å; L344-V389 HydrophobicContact CD2-CB 4.2Å; L344-V389 HydrophobicContact CD2-CG1 3.87Å; L344-V389 HydrophobicContact CD2-CG2 4.13Å; L349-V389 HydrophobicContact CB-CG2 3.95Å; L349-V389 HydrophobicContact CD1-CG2 4.34Å; L349-V389 HydrophobicContact CD2-CG2 4.26Å; L349-V389 HydrophobicContact CG-CG2 4.42Å; I376-V389 HydrophobicContact CD1-CG1 3.63Å; I376-V389 HydrophobicContact CG2-CG1 4.22Å; L378-V389 HydrophobicContact CD2-CG1 4.18Å; L378-V389 HydrophobicContact CD2-CG2 4.01Å; H385-V389 PolarHBondContact O-N 3.47Å; I386-V389 WeakPolarHBondContact O-CB 3.32Å; I386-V389 PolarHBondContact O-N 3.31Å; V389-G391 VanDerWaalsContact C-N 3.33Å; V389-G391 PolarHBondContact O-N 3.35Å; V389-I392 PolarHBondContact O-N 2.73Å; V389-L393 PolarHBondContact O-N 3.44Å
390C97.6Very high95.1Very high1 Ų132.8 Ų32.81%0.00716%0.157CC..Hα-helixtrans-59-44.1174.7-66.70000112.1I386 I392 L393 F394 W550I386-C390 PolarHBondContact O-N 3.02Å; I386-C390 PolarHBondContact O-SG 2.88Å; I386-C390 VanDerWaalsContact O-SG 3.37Å; C390-I392 PolarHBondContact O-N 2.85Å; C390-L393 PolarHBondContact O-N 2.88Å; C390-F394 HydrophobicContact CB-CD2 4.22Å; C390-F394 HydrophobicContact CB-CE2 3.72Å; C390-F394 HydrophobicContact CB-CZ 4.43Å; C390-F394 WeakPolarHBondContact O-CD2 3.47Å; C390-F394 VanDerWaalsContact O-CG 3.3Å; C390-F394 WeakPolarHBondContact O-CG 3.44Å; C390-F394 PolarHBondContact O-N 3.19Å; C390-W550 HydrophobicContact CB-CH2 4.01Å; C390-W550 HydrophobicContact CB-CZ2 3.59Å
391G97.2Very high95.7Very high9 Ų930.6 Ų30.69%0.09315%0.145CC..Hα-helixtrans-57.2-46.1179.200000112.9F387 Q388 V389 L393 F394 D395 W550F387-G391 PolarHBondContact O-N 3.29Å; Q388-G391 PolarHBondContact O-N 2.89Å; V389-G391 VanDerWaalsContact C-N 3.33Å; V389-G391 PolarHBondContact O-N 3.35Å; G391-L393 VanDerWaalsContact C-N 3.34Å; G391-L393 PolarHBondContact O-N 2.83Å; G391-F394 PolarHBondContact O-N 3.15Å; G391-D395 WeakPolarHBondContact O-CB 3.23Å; G391-D395 PolarHBondContact O-N 3.31Å; G391-W550 VanDerWaalsContact CA-CD1 3.49Å
392I97.4Very high96Very high18 Ų1831.6 Ų31.69%0.09215%0.153CC..Hα-helixtrans-59.6-43.6177.4-70165.6000111.3V340 L343 L344 L349 Q388 V389 C390 D395 Y396 L560V340-I392 HydrophobicContact CG1-CG2 4.22Å; L343-I392 HydrophobicContact CB-CG2 4.49Å; L343-I392 HydrophobicContact CD2-CD1 4.32Å; L343-I392 HydrophobicContact CD2-CG1 4.24Å; L343-I392 HydrophobicContact CD2-CG2 3.9Å; L343-I392 HydrophobicContact CG-CD1 4.33Å; L343-I392 HydrophobicContact CG-CG2 4.37Å; L344-I392 HydrophobicContact CD2-CB 4.3Å; L344-I392 HydrophobicContact CD2-CD1 3.71Å; L344-I392 HydrophobicContact CD2-CG2 4.27Å; L344-I392 HydrophobicContact CG-CG2 4.42Å; L349-I392 HydrophobicContact CD1-CD1 3.7Å; Q388-I392 HydrophobicContact CG-CD1 4.35Å; Q388-I392 WeakPolarHBondContact O-CG1 3.17Å; Q388-I392 PolarHBondContact O-N 2.94Å; V389-I392 PolarHBondContact O-N 2.73Å; C390-I392 PolarHBondContact O-N 2.85Å; I392-D395 PolarHBondContact O-N 2.88Å; I392-Y396 PolarHBondContact O-N 3.46Å; I392-Y396 VanDerWaalsContact O-N 3.1Å; I392-L560 HydrophobicContact CG2-CD1 4.3Å; I392-L560 HydrophobicContact CG2-CD2 4.38Å
393L97.7Very high96.1Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-63.4-46.6176.8175.663.1000111.8I309 W311 I332 V340 V374 V389 C390 G391 D395 Y396 I397I309-L393 HydrophobicContact CD1-CD2 3.5Å; I309-L393 VanDerWaalsContact CD1-CD2 3.5Å; W311-L393 HydrophobicContact CH2-CD2 3.91Å; I332-L393 HydrophobicContact CG2-CD1 3.71Å; V340-L393 HydrophobicContact CG1-CB 4.4Å; V340-L393 HydrophobicContact CG1-CD1 4.3Å; V340-L393 HydrophobicContact CG2-CD1 4.18Å; V374-L393 HydrophobicContact CB-CD2 4.15Å; V374-L393 HydrophobicContact CG1-CD1 4.47Å; V374-L393 HydrophobicContact CG1-CD2 3.94Å; V374-L393 HydrophobicContact CG2-CD2 4.21Å; V389-L393 PolarHBondContact O-N 3.44Å; C390-L393 PolarHBondContact O-N 2.88Å; G391-L393 VanDerWaalsContact C-N 3.34Å; G391-L393 PolarHBondContact O-N 2.83Å; L393-D395 VanDerWaalsContact C-N 3.32Å; L393-D395 PolarHBondContact O-N 3.08Å; L393-Y396 WeakPolarHBondContact O-CB 3.48Å; L393-Y396 PolarHBondContact O-N 2.73Å; L393-I397 HydrophobicContact CD1-CD1 4.43Å; L393-I397 HydrophobicContact CG-CD1 4.28Å; L393-I397 WeakPolarHBondContact O-CG1 3.48Å; L393-I397 PolarHBondContact O-N 3.37Å
394F97.6Very high96.2Very high3 Ų330.4 Ų30.41%0.01315%0.151CC..Hα-helixtrans-65.4-36.1179.7-62-47.7000112.3W311 C390 G391 Y396 I397 K398 P504 A507 W550W311-F394 HydrophobicContact CH2-CE1 4.32Å; W311-F394 HydrophobicContact CZ2-CD1 4.15Å; W311-F394 AromaticContact CZ2-CE1 3.64Å; W311-F394 HydrophobicContact CZ2-CE1 3.64Å; C390-F394 HydrophobicContact CB-CD2 4.22Å; C390-F394 HydrophobicContact CB-CE2 3.72Å; C390-F394 HydrophobicContact CB-CZ 4.43Å; C390-F394 WeakPolarHBondContact O-CD2 3.47Å; C390-F394 VanDerWaalsContact O-CG 3.3Å; C390-F394 WeakPolarHBondContact O-CG 3.44Å; C390-F394 PolarHBondContact O-N 3.19Å; G391-F394 PolarHBondContact O-N 3.15Å; F394-Y396 VanDerWaalsContact C-N 3.34Å; F394-I397 HydrophobicContact CD1-CD1 4.49Å; F394-I397 PolarHBondContact O-N 2.96Å; F394-K398 WeakPolarHBondContact O-CG 3.46Å; F394-K398 PolarHBondContact O-N 2.98Å; F394-K398 VanDerWaalsContact O-N 3.08Å; F394-P504 HydrophobicContact CB-CG 4.19Å; F394-P504 HydrophobicContact CD1-CB 4.39Å; F394-P504 HydrophobicContact CD1-CG 3.89Å; F394-P504 HydrophobicContact CD2-CB 4.06Å; F394-P504 HydrophobicContact CD2-CG 3.79Å; F394-P504 HydrophobicContact CE1-CB 4.15Å; F394-P504 HydrophobicContact CE1-CG 4.15Å; F394-P504 HydrophobicContact CE2-CB 3.81Å; F394-P504 HydrophobicContact CE2-CG 4.06Å; F394-P504 HydrophobicContact CG-CB 4.36Å; F394-P504 HydrophobicContact CG-CG 3.71Å; F394-P504 HydrophobicContact CZ-CB 3.87Å; F394-P504 HydrophobicContact CZ-CG 4.25Å; F394-A507 HydrophobicContact CE1-CB 4.34Å; F394-A507 HydrophobicContact CZ-CB 4.28Å; F394-W550 HydrophobicContact CD2-CB 3.98Å; F394-W550 AromaticContact CD2-CD2 3.82Å; F394-W550 HydrophobicContact CD2-CD2 3.82Å; F394-W550 HydrophobicContact CD2-CE3 4.08Å; F394-W550 AromaticContact CD2-CG 3.8Å; F394-W550 HydrophobicContact CD2-CG 3.8Å; F394-W550 AromaticContact CE2-CD2 3.71Å; F394-W550 HydrophobicContact CE2-CD2 3.71Å; F394-W550 AromaticContact CE2-CE3 3.56Å; F394-W550 HydrophobicContact CE2-CE3 3.56Å; F394-W550 HydrophobicContact CE2-CG 4.2Å; F394-W550 HydrophobicContact CE2-CH2 4.33Å; F394-W550 HydrophobicContact CE2-CZ2 4.48Å; F394-W550 AromaticContact CE2-CZ3 3.87Å; F394-W550 HydrophobicContact CE2-CZ3 3.87Å
395D97.3Very high96.3Very high28 Ų2828.1 Ų28.115%0.1514%0.138CC..Hα-helixtrans-62.6-40.8173.3-80.1-16.1000111.7G391 I392 L393 K398 I399 S553 P555 L560G391-D395 WeakPolarHBondContact O-CB 3.23Å; G391-D395 PolarHBondContact O-N 3.31Å; I392-D395 PolarHBondContact O-N 2.88Å; L393-D395 VanDerWaalsContact C-N 3.32Å; L393-D395 PolarHBondContact O-N 3.08Å; D395-K398 WeakPolarHBondContact O-CB 3.37Å; D395-K398 PolarHBondContact O-N 2.91Å; D395-I399 WeakPolarHBondContact O-CG1 3.45Å; D395-I399 PolarHBondContact O-N 3.32Å; D395-S553 VanDerWaalsContact OD1-CB 3.25Å; D395-S553 WeakPolarHBondContact OD1-CB 3.42Å; D395-S553 PolarHBondContact OD1-OG 3.44Å; D395-P555 HydrophobicContact CB-CB 4.02Å; D395-P555 HydrophobicContact CB-CG 4.04Å; D395-P555 WeakPolarHBondContact O-CG 3.44Å; D395-L560 HydrophobicContact CB-CD1 4.11Å
396Y97.5Very high96.1Very high1 Ų127.7 Ų27.70%0.00414%0.14CC..Hα-helixtrans-63.5-43174.9-167.2-100.1000112.5L331 V340 I392 L393 F394 K398 I399 L400 L560 H561L331-Y396 VanDerWaalsContact O-CE1 3.28Å; L331-Y396 WeakPolarHBondContact O-CE1 3.41Å; L331-Y396 PolarHBondContact O-OH 3.39Å; V340-Y396 HydrophobicContact CG2-CD1 3.66Å; V340-Y396 HydrophobicContact CG2-CD2 3.97Å; V340-Y396 HydrophobicContact CG2-CE1 4.44Å; V340-Y396 HydrophobicContact CG2-CG 3.39Å; I392-Y396 PolarHBondContact O-N 3.46Å; I392-Y396 VanDerWaalsContact O-N 3.1Å; L393-Y396 WeakPolarHBondContact O-CB 3.48Å; L393-Y396 PolarHBondContact O-N 2.73Å; F394-Y396 VanDerWaalsContact C-N 3.34Å; Y396-K398 VanDerWaalsContact C-N 3.26Å; Y396-K398 PolarHBondContact O-N 2.93Å; Y396-I399 WeakPolarHBondContact O-CB 3.4Å; Y396-I399 PolarHBondContact O-N 2.95Å; Y396-L400 HydrophobicContact CD1-CD1 4.01Å; Y396-L400 HydrophobicContact CD1-CD2 4.49Å; Y396-L400 HydrophobicContact CD1-CG 4.04Å; Y396-L400 HydrophobicContact CE1-CD1 3.8Å; Y396-L400 HydrophobicContact CE1-CD2 3.82Å; Y396-L400 HydrophobicContact CE1-CG 3.83Å; Y396-L400 WeakPolarHBondContact O-CG 3.44Å; Y396-L400 PolarHBondContact O-N 3.42Å; Y396-L560 HydrophobicContact CD2-CB 4.18Å; Y396-L560 HydrophobicContact CD2-CD2 4.1Å; Y396-H561 WeakPolarHBondContact CE2-O 3.44Å
397I97.1Very high95.5Very high7 Ų727.1 Ų27.14%0.03614%0.138CC..Hα-helixtrans-59.7-37.9175.9-66.5168.3000111W311 I332 L393 F394 L400 L401 L499 M502W311-I397 HydrophobicContact CH2-CD1 3.87Å; W311-I397 HydrophobicContact CZ2-CD1 3.82Å; I332-I397 HydrophobicContact CD1-CG1 4.29Å; L393-I397 HydrophobicContact CD1-CD1 4.43Å; L393-I397 HydrophobicContact CG-CD1 4.28Å; L393-I397 WeakPolarHBondContact O-CG1 3.48Å; L393-I397 PolarHBondContact O-N 3.37Å; F394-I397 HydrophobicContact CD1-CD1 4.49Å; F394-I397 PolarHBondContact O-N 2.96Å; I397-L400 PolarHBondContact O-N 2.97Å; I397-L401 PolarHBondContact O-N 2.97Å; I397-L499 HydrophobicContact CG2-CD2 4Å; I397-M502 HydrophobicContact CD1-CB 4.4Å; I397-M502 HydrophobicContact CD1-CE 4.32Å; I397-M502 HydrophobicContact CG2-CB 4.16Å
398K96.3Very high94.4Very high52 Ų5225.7 Ų25.723%0.22613%0.134CC..Hα-helixtrans-63.8-40.8173.5-70.5172.5176.8-179.10112.4F394 D395 Y396 L401 H402 W550 I551 S553 P555F394-K398 WeakPolarHBondContact O-CG 3.46Å; F394-K398 PolarHBondContact O-N 2.98Å; F394-K398 VanDerWaalsContact O-N 3.08Å; D395-K398 WeakPolarHBondContact O-CB 3.37Å; D395-K398 PolarHBondContact O-N 2.91Å; Y396-K398 VanDerWaalsContact C-N 3.26Å; Y396-K398 PolarHBondContact O-N 2.93Å; K398-L401 PolarHBondContact O-N 3.08Å; K398-H402 WeakPolarHBondContact O-CB 3.47Å; K398-H402 PolarHBondContact O-N 3.37Å; K398-W550 WeakPolarHBondContact CE-O 3.36Å; K398-W550 PolarHBondContact NZ-O 3.39Å; K398-I551 WeakPolarHBondContact CE-O 3.49Å; K398-I551 PolarHBondContact NZ-O 2.8Å; K398-S553 PolarHBondContact NZ-O 3.01Å; K398-S553 PolarHBondContact NZ-OG 2.85Å; K398-P555 HydrophobicContact CB-CG 3.88Å; K398-P555 HydrophobicContact CD-CG 4.19Å
399I96Very high93.1Very high16 Ų1625.1 Ų25.18%0.08214%0.139CC..Hα-helixtrans-60.9-45.8175.1-69.1168.8000110.2D395 Y396 L401 H402 S403 P555 L560 L562D395-I399 WeakPolarHBondContact O-CG1 3.45Å; D395-I399 PolarHBondContact O-N 3.32Å; Y396-I399 WeakPolarHBondContact O-CB 3.4Å; Y396-I399 PolarHBondContact O-N 2.95Å; I399-L401 PolarHBondContact O-N 3.32Å; I399-H402 PolarHBondContact O-N 2.94Å; I399-S403 VanDerWaalsContact O-CB 3.3Å; I399-S403 WeakPolarHBondContact O-CB 3.32Å; I399-S403 PolarHBondContact O-N 3.32Å; I399-P555 HydrophobicContact CD1-CB 3.61Å; I399-P555 HydrophobicContact CG1-CB 3.53Å; I399-P555 HydrophobicContact CG1-CG 3.99Å; I399-L560 HydrophobicContact CD1-CB 3.44Å; I399-L560 VanDerWaalsContact CD1-CB 3.44Å; I399-L560 HydrophobicContact CD1-CD1 4.42Å; I399-L560 WeakPolarHBondContact CD1-O 3.5Å; I399-L562 HydrophobicContact CG2-CD1 4.01Å
400L96.1Very high91.6Very high0 Ų029.5 Ų29.50%016%0.161CC..Hα-helixtrans-58.9-47.4176.4-64.2-175.1000111.4L331 I332 Y396 I397 H402 S403 A404 L499 L562L331-L400 HydrophobicContact CB-CD1 4.08Å; L331-L400 HydrophobicContact CB-CD2 4.18Å; L331-L400 HydrophobicContact CD1-CD2 4.2Å; L331-L400 HydrophobicContact CD2-CD2 4.5Å; I332-L400 HydrophobicContact CD1-CD1 4.47Å; I332-L400 HydrophobicContact CG1-CD1 3.79Å; Y396-L400 HydrophobicContact CD1-CD1 4.01Å; Y396-L400 HydrophobicContact CD1-CD2 4.49Å; Y396-L400 HydrophobicContact CD1-CG 4.04Å; Y396-L400 HydrophobicContact CE1-CD1 3.8Å; Y396-L400 HydrophobicContact CE1-CD2 3.82Å; Y396-L400 HydrophobicContact CE1-CG 3.83Å; Y396-L400 WeakPolarHBondContact O-CG 3.44Å; Y396-L400 PolarHBondContact O-N 3.42Å; I397-L400 PolarHBondContact O-N 2.97Å; L400-H402 PolarHBondContact O-N 2.73Å; L400-S403 PolarHBondContact O-N 3.05Å; L400-A404 WeakPolarHBondContact O-CB 3.26Å; L400-A404 PolarHBondContact O-N 3.14Å; L400-L499 HydrophobicContact CB-CD1 4.03Å; L400-L499 HydrophobicContact CB-CD2 4.03Å; L400-L499 HydrophobicContact CD1-CD2 4.27Å; L400-L562 HydrophobicContact CD2-CD1 4.06Å; L400-L562 HydrophobicContact CD2-CD2 4.31Å; L400-L562 HydrophobicContact CD2-CG 3.91Å
401L96.1Very high89.7Confident38 Ų3833.2 Ų33.220%0.19919%0.186CC..Hα-helixtrans-61.2-45.4178.3178.759000111.7I397 K398 I399 A404 L405 I496 L499 R500I397-L401 PolarHBondContact O-N 2.97Å; K398-L401 PolarHBondContact O-N 3.08Å; I399-L401 PolarHBondContact O-N 3.32Å; L401-A404 PolarHBondContact O-N 3.47Å; L401-L405 HydrophobicContact CD1-CD1 3.91Å; L401-L405 HydrophobicContact CD1-CG 4.11Å; L401-L405 HydrophobicContact CG-CD1 3.9Å; L401-L405 WeakPolarHBondContact O-CB 3.4Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.27Å; L401-L405 PolarHBondContact O-N 3.27Å; L401-I496 HydrophobicContact CD1-CG2 4.08Å; L401-L499 HydrophobicContact CB-CB 4.25Å; L401-L499 HydrophobicContact CD1-CB 4.04Å; L401-R500 HydrophobicContact CD1-CG 4.07Å; L401-R500 HydrophobicContact CD2-CG 4.31Å
402H94.8Very high87.7Confident122 Ų12239.7 Ų39.757%0.56522%0.218SC*.Hα-helixtrans-63.1-42.8178.2-176.963.4000112.1K398 I399 L400 L405 T406K398-H402 WeakPolarHBondContact O-CB 3.47Å; K398-H402 PolarHBondContact O-N 3.37Å; I399-H402 PolarHBondContact O-N 2.94Å; L400-H402 PolarHBondContact O-N 2.73Å; H402-L405 PolarHBondContact O-N 2.93Å; H402-T406 WeakPolarHBondContact O-CB 2.86Å; H402-T406 PolarHBondContact O-N 2.98Å; H402-T406 PolarHBondContact O-OG1 3.14Å
403S94.4Very high85.4Confident17 Ų1746.4 Ų46.412%0.11925%0.251CS..Hα-helixtrans-63.4-42177.4-169.90000112I399 L400 T406 S407 F438I399-S403 VanDerWaalsContact O-CB 3.3Å; I399-S403 WeakPolarHBondContact O-CB 3.32Å; I399-S403 PolarHBondContact O-N 3.32Å; L400-S403 PolarHBondContact O-N 3.05Å; S403-T406 PolarHBondContact O-N 2.87Å; S403-S407 WeakPolarHBondContact O-CB 3.3Å; S403-S407 PolarHBondContact O-N 3.18Å; S403-S407 PolarHBondContact O-OG 3.46Å; S403-F438 PolarHBondContact OG-N 3.5Å
404A93.6Very high83.2Confident0 Ų051.3 Ų51.30%028%0.277CS..Hα-helixtrans-67.3-41.5176.600000112.8L400 L401 S407 T408 F438 I492 I496L400-A404 WeakPolarHBondContact O-CB 3.26Å; L400-A404 PolarHBondContact O-N 3.14Å; L401-A404 PolarHBondContact O-N 3.47Å; A404-S407 WeakPolarHBondContact O-CB 3.24Å; A404-S407 PolarHBondContact O-N 3.41Å; A404-T408 PolarHBondContact O-N 3.45Å; A404-T408 PolarHBondContact O-OG1 2.94Å; A404-F438 HydrophobicContact CB-CB 4.3Å; A404-F438 HydrophobicContact CB-CD1 4.47Å; A404-F438 HydrophobicContact CB-CD2 3.9Å; A404-F438 HydrophobicContact CB-CE2 4.37Å; A404-F438 HydrophobicContact CB-CG 3.96Å; A404-I492 HydrophobicContact CB-CG2 4.41Å; A404-I496 HydrophobicContact CB-CD1 4.28Å; A404-I496 HydrophobicContact CB-CG1 3.66Å
405L94Very high80.7Confident57 Ų5754.6 Ų54.630%0.29831%0.312SS..Hα-helixtrans-66.2-37.1175.9-71.8168.9000112.7L401 H402 T408 S409 I496L401-L405 HydrophobicContact CD1-CD1 3.91Å; L401-L405 HydrophobicContact CD1-CG 4.11Å; L401-L405 HydrophobicContact CG-CD1 3.9Å; L401-L405 WeakPolarHBondContact O-CB 3.4Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.27Å; L401-L405 PolarHBondContact O-N 3.27Å; H402-L405 PolarHBondContact O-N 2.93Å; L405-T408 PolarHBondContact O-OG1 3.32Å; L405-S409 PolarHBondContact O-N 3.3Å; L405-S409 PolarHBondContact O-OG 3.22Å; L405-I496 HydrophobicContact CD2-CD1 4.12Å; L405-I496 HydrophobicContact CD2-CG1 4.43Å; L405-I496 HydrophobicContact CD2-CG2 3.8Å; L405-I496 HydrophobicContact CG-CG2 4.47Å
406T90.1Very high77.8Confident57 Ų5756.6 Ų56.635%0.3534%0.339SS..Hα-helixtrans-70.2-39.8177-55.90000110.8H402 S403 T408 S409 I410H402-T406 WeakPolarHBondContact O-CB 2.86Å; H402-T406 PolarHBondContact O-N 2.98Å; H402-T406 PolarHBondContact O-OG1 3.14Å; S403-T406 PolarHBondContact O-N 2.87Å; T406-T408 PolarHBondContact O-N 3.36Å; T406-S409 WeakPolarHBondContact O-CB 3.4Å; T406-S409 PolarHBondContact O-N 3.09Å; T406-I410 HydrophobicContact CG2-CD1 4.06Å; T406-I410 WeakPolarHBondContact O-CG1 3.39Å; T406-I410 PolarHBondContact O-N 3.27Å
407S83.2Confident74.6Confident5 Ų563.3 Ų63.34%0.03538%0.375CS..Hα-helixtrans-57.8-44.7176.3-66.20000112.6S403 A404 I410 C411 A439S403-S407 WeakPolarHBondContact O-CB 3.3Å; S403-S407 PolarHBondContact O-N 3.18Å; S403-S407 PolarHBondContact O-OG 3.46Å; A404-S407 WeakPolarHBondContact O-CB 3.24Å; A404-S407 PolarHBondContact O-N 3.41Å; S407-I410 PolarHBondContact O-N 2.95Å; S407-C411 PolarHBondContact O-N 3.44Å; S407-C411 VanDerWaalsContact O-N 3.14Å; S407-A439 WeakPolarHBondContact OG-CB 3.4Å; S407-A439 PolarHBondContact OG-N 3.28Å
408T75.3Confident71.2Confident31 Ų3173.2 Ų73.219%0.1942%0.421CS..Hα-helixtrans-67.2-39176.342.70000112.2A404 L405 T406 I410 C411 L412 I492 I496A404-T408 PolarHBondContact O-N 3.45Å; A404-T408 PolarHBondContact O-OG1 2.94Å; L405-T408 PolarHBondContact O-OG1 3.32Å; T406-T408 PolarHBondContact O-N 3.36Å; T408-I410 PolarHBondContact O-N 2.96Å; T408-C411 PolarHBondContact O-N 3.43Å; T408-L412 WeakPolarHBondContact O-CB 3.42Å; T408-L412 VanDerWaalsContact O-CG 3.27Å; T408-L412 WeakPolarHBondContact O-CG 3.21Å; T408-L412 PolarHBondContact O-N 3.06Å; T408-I492 HydrophobicContact CG2-CB 4.28Å; T408-I492 HydrophobicContact CG2-CG2 3.61Å; T408-I496 HydrophobicContact CG2-CD1 3.81Å
409S69.2Low68.1Low66 Ų6673.1 Ų73.146%0.46244%0.435SS..Hα-helixtrans-62.6-40.4176.7-580000112.3L405 T406 L412 M413L405-S409 PolarHBondContact O-N 3.3Å; L405-S409 PolarHBondContact O-OG 3.22Å; T406-S409 WeakPolarHBondContact O-CB 3.4Å; T406-S409 PolarHBondContact O-N 3.09Å; S409-L412 PolarHBondContact O-N 3.23Å; S409-M413 WeakPolarHBondContact O-CB 3.38Å; S409-M413 WeakPolarHBondContact O-CG 3.41Å; S409-M413 PolarHBondContact O-N 2.99Å
410I64.3Low64.7Low91 Ų9179.8 Ų79.847%0.46747%0.47SS..Hα-helixtrans-67.5-43.6177-66.4167.1000111T406 S407 T408 L412 M413 N414T406-I410 HydrophobicContact CG2-CD1 4.06Å; T406-I410 WeakPolarHBondContact O-CG1 3.39Å; T406-I410 PolarHBondContact O-N 3.27Å; S407-I410 PolarHBondContact O-N 2.95Å; T408-I410 PolarHBondContact O-N 2.96Å; I410-L412 VanDerWaalsContact C-N 3.3Å; I410-L412 PolarHBondContact O-N 3.19Å; I410-M413 PolarHBondContact O-N 3.39Å; I410-N414 WeakPolarHBondContact O-CB 3.34Å; I410-N414 PolarHBondContact O-N 3.39Å
411C58.8Low61.6Low79 Ų7987.2 Ų87.253%0.53451%0.51SS..Hα-helixtrans-61.3-38.9175.8-73.20000112.2S407 T408 G415S407-C411 PolarHBondContact O-N 3.44Å; S407-C411 VanDerWaalsContact O-N 3.14Å; T408-C411 PolarHBondContact O-N 3.43Å; C411-G415 PolarHBondContact O-N 3.36Å
412L56.2Low58.3Low146 Ų14692.1 Ų92.176%0.76454%0.536SS*.Hα-helixtrans-68.1-33.6175.5-70.8167.5000112.6T408 S409 I410T408-L412 WeakPolarHBondContact O-CB 3.42Å; T408-L412 VanDerWaalsContact O-CG 3.27Å; T408-L412 WeakPolarHBondContact O-CG 3.21Å; T408-L412 PolarHBondContact O-N 3.06Å; S409-L412 PolarHBondContact O-N 3.23Å; I410-L412 VanDerWaalsContact C-N 3.3Å; I410-L412 PolarHBondContact O-N 3.19Å
413M49.2Very low55.3Low159 Ų15993.3 Ų93.378%0.78355%0.547SS*.Hα-helixtrans-77.6-34177.7-69.4-74.6-121.500112.9S409 I410S409-M413 WeakPolarHBondContact O-CB 3.38Å; S409-M413 WeakPolarHBondContact O-CG 3.41Å; S409-M413 PolarHBondContact O-N 2.99Å; I410-M413 PolarHBondContact O-N 3.39Å
414N50.7Low52.1Low103 Ų103100.3 Ų100.355%0.55158%0.583SS**Hα-helixtrans-89.4-11.8-179.9-71.4-12.5000113.6I410 G416 L417I410-N414 WeakPolarHBondContact O-CB 3.34Å; I410-N414 PolarHBondContact O-N 3.39Å; N414-G416 PolarHBondContact O-N 2.79Å; N414-L417 PolarHBondContact O-N 3.43Å
415G44.6Very low49.1Very low72 Ų72102.9 Ų102.974%0.74261%0.61SS**THydrogen-bonded Turntrans-65.418.6178.900000116.5C411C411-G415 PolarHBondContact O-N 3.36Å
416G36.4Very low45.8Very low70 Ų70109.1 Ų109.172%0.72264%0.637SS**THydrogen-bonded Turntrans-128.64.5174.100000114.7N414N414-G416 PolarHBondContact O-N 2.79Å
417L29.9Very low42.8Very low142 Ų142117 Ų11774%0.74366%0.661SS**  trans-129.199.8-179.5-74.4162.5000110.5N414 G419N414-L417 PolarHBondContact O-N 3.43Å; L417-G419 PolarHBondContact O-N 3.49Å
418E26.9Very low40.1Very low215 Ų215122 Ų122100%1.00569%0.69SS**  trans-61.987.4148.6-71.5-178.2162.700107.1
419G29.9Very low37.8Very low50 Ų50129.5 Ų129.552%0.51572%0.723SS.*  trans-120.7110.3-174.100000110.7L417 N421L417-G419 PolarHBondContact O-N 3.49Å; G419-N421 PolarHBondContact O-N 3.08Å
420N25.4Very low35.8Very low155 Ų155130.4 Ų130.483%0.82973%0.726SS**  trans-37.4114.6168.2-82.3-36.9000113.1
421N30.1Very low34.7Very low156 Ų156134 Ų13483%0.83475%0.746SS**  trans-101.673.1158-79-15.7000109G419G419-N421 PolarHBondContact O-N 3.08Å
422N27.8Very low34.1Very low141 Ų141136.9 Ų136.975%0.75475%0.751SS**  trans-89.283.1149.5-88.9-19.4000106.1
423D31.1Very low34.5Very low148 Ų148134.2 Ų134.279%0.79174%0.744SS**  trans-117.783.6168-132.41.3000108G425D423-G425 PolarHBondContact O-N 3.47Å
424N28.7Very low36.1Very low164 Ų164132.9 Ų132.988%0.87774%0.736SS**  trans-72.970.2163.6-76.5-24.8000108
425G29.2Very low38Very low54 Ų54132.7 Ų132.756%0.55773%0.73SS**  trans-84.2119.6167.400000109.3D423 R427D423-G425 PolarHBondContact O-N 3.47Å; G425-R427 PolarHBondContact O-N 3.13Å
426E25.7Very low40.2Very low188 Ų188130.3 Ų130.388%0.87970%0.7SS**  trans-44.9108.1173.8-71.1174.4145.200110.9V428E426-V428 PolarHBondContact O-N 3.1Å
427R27.4Very low42.8Very low222 Ų222130.1 Ų130.184%0.83868%0.684SS**  trans-68.588.5166.1-80.4-176.8174.8-170.2-4.1107.6G425 H429G425-R427 PolarHBondContact O-N 3.13Å; R427-H429 PolarHBondContact O-N 3.44Å
428V25.1Very low45.8Very low109 Ų109123.3 Ų123.366%0.66165%0.649SS**  trans-55.9119.2160.7-179.70000106.3E426 T430E426-V428 PolarHBondContact O-N 3.1Å; V428-T430 HydrophobicContact CG1-CG2 4.11Å; V428-T430 PolarHBondContact O-N 3.45Å
429H26.7Very low48.8Very low190 Ų190114.7 Ų114.788%0.8861%0.614SS**  trans-63.677.4173.2-75.8-76.8000110.1R427R427-H429 PolarHBondContact O-N 3.44Å
430T28.4Very low51.7Low85 Ų85115.5 Ų115.552%0.52161%0.609SS.*  trans-97.6129.9156.455.60000106.6V428 H432V428-T430 HydrophobicContact CG1-CG2 4.11Å; V428-T430 PolarHBondContact O-N 3.45Å; T430-H432 PolarHBondContact O-N 3.24Å
431N39.8Very low55Low167 Ų167108.5 Ų108.589%0.89357%0.571SS**  trans-66.844.6177.5-83.4-13.1000112.4C433N431-C433 PolarHBondContact O-N 3.02Å
432H47.9Very low58Low138 Ų138101.3 Ų101.364%0.63953%0.533SS*.  trans-91.2102.3179.8-7025000108.4T430 H434T430-H432 PolarHBondContact O-N 3.24Å; H432-H434 PolarHBondContact O-CE1 2.86Å; H432-H434 PolarHBondContact O-N 3.4Å; H432-H434 PolarHBondContact O-ND1 2.63Å
433C64.6Low61.2Low91 Ų9197.8 Ų97.862%0.61552%0.518SS*.PPolyproline II helixtrans-59.5127.3170.8-61.10000109.4N431 Y564N431-C433 PolarHBondContact O-N 3.02Å; C433-Y564 HydrophobicContact CB-CD1 3.37Å; C433-Y564 HydrophobicContact CB-CE1 3.93Å; C433-Y564 HydrophobicContact CB-CG 3.82Å
434H82.3Confident64.1Low131 Ų13191.9 Ų91.961%0.60649%0.485SS*.PPolyproline II helixtrans-83.8126.5-179.2-69.356.2000109.2H432 Y564 E565H432-H434 PolarHBondContact O-CE1 2.86Å; H432-H434 PolarHBondContact O-N 3.4Å; H432-H434 PolarHBondContact O-ND1 2.63Å; H434-Y564 WeakPolarHBondContact O-CA 2.99Å; H434-E565 PolarHBondContact O-N 3.38Å
435K89.8Confident67.2Low99 Ų9984.5 Ų84.543%0.4345%0.445SS..BIsolated β-bridgetrans-75.7135.4175.3-64.9179.7177.4-174.90109.5H561 Y564K435-H561 HydrophobicContact CD-CB 4.1Å; K435-H561 PolarHBondContact NZ-CD2 3.01Å; K435-Y564 HydrophobicContact CD-CE1 4.44Å; K435-Y564 HydrophobicContact CG-CD1 3.89Å; K435-Y564 HydrophobicContact CG-CE1 3.46Å; K435-Y564 VanDerWaalsContact CG-CE1 3.46Å
436H91.4Very high70.2Confident22 Ų2285.1 Ų85.110%0.10243%0.434CS..PPolyproline II helixtrans-70.7149.7173.4-76.2-60.6000112.8T440 E444 L562 P563 E565H436-T440 WeakPolarHBondContact CA-OG1 3.4Å; H436-T440 PolarHBondContact ND1-OG1 3.35Å; H436-E444 IonicContact CE1-OE2 2.63Å; H436-E444 PolarHBondContact CE1-OE2 3.45Å; H436-E444 IonicContact NE2-OE1 3.13Å; H436-E444 PolarHBondContact NE2-OE1 3.43Å; H436-E444 IonicContact NE2-OE2 3.69Å; H436-E444 PolarHBondContact NE2-OE2 2.85Å; H436-E444 VanDerWaalsContact NE2-OE2 3.14Å; H436-L562 HydrophobicContact CB-CB 4.39Å; H436-L562 WeakPolarHBondContact O-CB 3.27Å; H436-P563 WeakPolarHBondContact CB-O 3.24Å; H436-P563 PolarHBondContact CD2-O 3.37Å; H436-P563 PolarHBondContact N-O 3.13Å; H436-E565 WeakPolarHBondContact NE2-CA 3.27Å
437T91.8Very high73.4Confident65 Ų6582.3 Ų82.340%0.39942%0.422SS..PPolyproline II helixtrans-92.8166.7150.665.60000109.5A439 T440 Y441T437-A439 PolarHBondContact O-N 3.01Å; T437-T440 PolarHBondContact N-OG1 3.06Å; T437-T440 PolarHBondContact O-N 3.24Å; T437-T440 VanDerWaalsContact O-N 3.09Å; T437-T440 PolarHBondContact O-OG1 2.83Å; T437-T440 WeakPolarHBondContact OG1-CG2 3.42Å; T437-T440 PolarHBondContact OG1-N 3.04Å; T437-T440 PolarHBondContact OG1-OG1 3.47Å; T437-Y441 WeakPolarHBondContact O-CB 3.47Å; T437-Y441 PolarHBondContact O-N 2.67Å
438F91.9Very high76.5Confident0 Ų072.2 Ų72.20%039%0.385CS..Hα-helixtrans-55.9-41.9176.7-152.9-68.8000111.3V327 L328 L331 S403 A404 T440 Y441 L442 Y495 L499 L562V327-F438 HydrophobicContact CG1-CE1 4.39Å; V327-F438 HydrophobicContact CG1-CZ 4.13Å; L328-F438 HydrophobicContact CD2-CE2 4.41Å; L328-F438 HydrophobicContact CD2-CZ 4.32Å; L331-F438 HydrophobicContact CD1-CD2 4.21Å; L331-F438 HydrophobicContact CD1-CE2 3.63Å; L331-F438 HydrophobicContact CD1-CZ 3.94Å; S403-F438 PolarHBondContact OG-N 3.5Å; A404-F438 HydrophobicContact CB-CB 4.3Å; A404-F438 HydrophobicContact CB-CD1 4.47Å; A404-F438 HydrophobicContact CB-CD2 3.9Å; A404-F438 HydrophobicContact CB-CE2 4.37Å; A404-F438 HydrophobicContact CB-CG 3.96Å; F438-T440 PolarHBondContact O-N 2.9Å; F438-Y441 PolarHBondContact O-N 3.05Å; F438-L442 HydrophobicContact CD1-CD1 3.95Å; F438-L442 HydrophobicContact CD1-CG 4.12Å; F438-L442 HydrophobicContact CE1-CD1 3.94Å; F438-L442 HydrophobicContact CE1-CD2 4.02Å; F438-L442 HydrophobicContact CE1-CG 4.06Å; F438-L442 WeakPolarHBondContact O-CG 3.24Å; F438-L442 PolarHBondContact O-N 3.02Å; F438-Y495 AromaticContact CE1-CD2 3.42Å; F438-Y495 HydrophobicContact CE1-CD2 3.42Å; F438-Y495 VanDerWaalsContact CE1-CD2 3.42Å; F438-Y495 HydrophobicContact CE1-CE2 4.06Å; F438-Y495 HydrophobicContact CE1-CG 4.24Å; F438-Y495 AromaticContact CZ-CD2 3.79Å; F438-Y495 HydrophobicContact CZ-CD2 3.79Å; F438-Y495 HydrophobicContact CZ-CG 4.17Å; F438-L499 HydrophobicContact CE2-CD1 4.26Å; F438-L562 HydrophobicContact CB-CD2 4.36Å
439A89.5Confident79.6Confident34 Ų3469.4 Ų69.428%0.28136%0.364SS..Hα-helixtrans-64.2-34.7176.800000114.5S407 T437 P443S407-A439 WeakPolarHBondContact OG-CB 3.4Å; S407-A439 PolarHBondContact OG-N 3.28Å; T437-A439 PolarHBondContact O-N 3.01Å; A439-P443 WeakPolarHBondContact O-CD 3.41Å
440T92.3Very high82.8Confident67 Ų6762.8 Ų62.841%0.41134%0.337SS..Hα-helixtrans-84.2-24-179.955.90000112.8H436 T437 F438H436-T440 WeakPolarHBondContact CA-OG1 3.4Å; H436-T440 PolarHBondContact ND1-OG1 3.35Å; T437-T440 PolarHBondContact N-OG1 3.06Å; T437-T440 PolarHBondContact O-N 3.24Å; T437-T440 VanDerWaalsContact O-N 3.09Å; T437-T440 PolarHBondContact O-OG1 2.83Å; T437-T440 WeakPolarHBondContact OG1-CG2 3.42Å; T437-T440 PolarHBondContact OG1-N 3.04Å; T437-T440 PolarHBondContact OG1-OG1 3.47Å; F438-T440 PolarHBondContact O-N 2.9Å
441Y93.9Very high85.8Confident7 Ų759.6 Ų59.63%0.02732%0.319CS..Hα-helixtrans-70.9-40.4177.6175.6-101.2000111.8V327 S330 L331 T437 F438 E444 Y445 P563V327-Y441 HydrophobicContact CG1-CE1 4.5Å; S330-Y441 WeakPolarHBondContact CB-OH 3.26Å; S330-Y441 PolarHBondContact OG-OH 2.91Å; L331-Y441 HydrophobicContact CD1-CD1 4.11Å; L331-Y441 HydrophobicContact CD1-CE1 4Å; L331-Y441 HydrophobicContact CD2-CD1 3.78Å; L331-Y441 HydrophobicContact CD2-CD2 4.13Å; L331-Y441 HydrophobicContact CD2-CE1 3.6Å; L331-Y441 HydrophobicContact CD2-CE2 3.96Å; L331-Y441 HydrophobicContact CD2-CG 4.04Å; L331-Y441 HydrophobicContact CG-CD1 4.11Å; L331-Y441 HydrophobicContact CG-CE1 3.64Å; T437-Y441 WeakPolarHBondContact O-CB 3.47Å; T437-Y441 PolarHBondContact O-N 2.67Å; F438-Y441 PolarHBondContact O-N 3.05Å; Y441-E444 PolarHBondContact O-N 2.72Å; Y441-Y445 HydrophobicContact CE1-CD2 4.06Å; Y441-Y445 HydrophobicContact CE1-CG 4.17Å; Y441-Y445 AromaticContact CZ-CD2 3.75Å; Y441-Y445 WeakPolarHBondContact O-CB 3.42Å; Y441-Y445 PolarHBondContact O-N 2.9Å; Y441-Y445 VanDerWaalsContact OH-CD2 3.24Å; Y441-Y445 WeakPolarHBondContact OH-CD2 3.36Å; Y441-P563 HydrophobicContact CD2-CG 4.41Å; Y441-P563 HydrophobicContact CE2-CG 4.15Å
442L93.5Very high88.2Confident6 Ų653.3 Ų53.33%0.03129%0.286CS..Hα-helixtrans-59.3-44.8-176.1-68.3172.4000114.3V327 F438 Y445 Q446 L487 P490 I492 Y495V327-L442 HydrophobicContact CG1-CD2 3.76Å; V327-L442 HydrophobicContact CG2-CD2 4.22Å; F438-L442 HydrophobicContact CD1-CD1 3.95Å; F438-L442 HydrophobicContact CD1-CG 4.12Å; F438-L442 HydrophobicContact CE1-CD1 3.94Å; F438-L442 HydrophobicContact CE1-CD2 4.02Å; F438-L442 HydrophobicContact CE1-CG 4.06Å; F438-L442 WeakPolarHBondContact O-CG 3.24Å; F438-L442 PolarHBondContact O-N 3.02Å; L442-Y445 PolarHBondContact O-N 3.17Å; L442-Q446 VanDerWaalsContact O-CB 3.31Å; L442-Q446 WeakPolarHBondContact O-CB 3.28Å; L442-Q446 PolarHBondContact O-N 3.19Å; L442-L487 HydrophobicContact CD2-CD2 4.15Å; L442-P490 HydrophobicContact CD1-CB 4.21Å; L442-I492 HydrophobicContact CD1-CD1 4Å; L442-I492 HydrophobicContact CD1-CG1 3.64Å; L442-Y495 HydrophobicContact CD1-CD2 4.43Å; L442-Y495 HydrophobicContact CD1-CE2 3.92Å; L442-Y495 HydrophobicContact CD2-CE2 3.77Å
443P93.4Very high90.3Very high67 Ų6747.4 Ų47.444%0.43526%0.258SS..Hα-helixtrans-62.4-41.7174.9-2534.8000113.4A439 Q446 M447A439-P443 WeakPolarHBondContact O-CD 3.41Å; P443-Q446 PolarHBondContact O-N 2.84Å; P443-M447 VanDerWaalsContact O-CG 3.32Å; P443-M447 WeakPolarHBondContact O-CG 3.48Å; P443-M447 PolarHBondContact O-N 3.45Å
444E93.1Very high91.6Very high24 Ų2444.9 Ų44.911%0.11224%0.238CC..Hα-helixtrans-62.7-48.7176.4-176.3175.6113.900110.6H436 Y441 Q446 M447 V448 N566 L569H436-E444 IonicContact CE1-OE2 2.63Å; H436-E444 PolarHBondContact CE1-OE2 3.45Å; H436-E444 IonicContact NE2-OE1 3.13Å; H436-E444 PolarHBondContact NE2-OE1 3.43Å; H436-E444 IonicContact NE2-OE2 3.69Å; H436-E444 PolarHBondContact NE2-OE2 2.85Å; H436-E444 VanDerWaalsContact NE2-OE2 3.14Å; Y441-E444 PolarHBondContact O-N 2.72Å; E444-Q446 VanDerWaalsContact C-N 3.28Å; E444-Q446 PolarHBondContact O-N 3.35Å; E444-M447 WeakPolarHBondContact O-CB 3.41Å; E444-M447 PolarHBondContact O-N 3.03Å; E444-M447 VanDerWaalsContact O-N 3.09Å; E444-V448 WeakPolarHBondContact O-CG2 3.39Å; E444-V448 PolarHBondContact O-N 2.61Å; E444-N566 WeakPolarHBondContact OE1-CB 3.47Å; E444-N566 PolarHBondContact OE1-N 2.94Å; E444-N566 PolarHBondContact OE2-N 3.43Å; E444-L569 HydrophobicContact CG-CD1 3.91Å
445Y92.7Very high92Very high9 Ų940 Ų404%0.03522%0.215CC..Hα-helixtrans-58-40.7176.5-170.3-99000112.1E326 V327 Y441 L442 V448 K449 L487E326-Y445 PolarHBondContact O-OH 2.84Å; V327-Y445 HydrophobicContact CG2-CD1 4.16Å; V327-Y445 HydrophobicContact CG2-CE1 3.91Å; Y441-Y445 HydrophobicContact CE1-CD2 4.06Å; Y441-Y445 HydrophobicContact CE1-CG 4.17Å; Y441-Y445 AromaticContact CZ-CD2 3.75Å; Y441-Y445 WeakPolarHBondContact O-CB 3.42Å; Y441-Y445 PolarHBondContact O-N 2.9Å; Y441-Y445 VanDerWaalsContact OH-CD2 3.24Å; Y441-Y445 WeakPolarHBondContact OH-CD2 3.36Å; L442-Y445 PolarHBondContact O-N 3.17Å; Y445-V448 PolarHBondContact O-N 2.97Å; Y445-K449 HydrophobicContact CD1-CG 4.13Å; Y445-K449 HydrophobicContact CE1-CD 4.44Å; Y445-K449 HydrophobicContact CE1-CG 3.87Å; Y445-K449 WeakPolarHBondContact O-CB 3.49Å; Y445-K449 VanDerWaalsContact O-CG 3.32Å; Y445-K449 WeakPolarHBondContact O-CG 3.21Å; Y445-K449 PolarHBondContact O-N 2.89Å; Y445-K449 WeakPolarHBondContact OH-CE 3.33Å; Y445-K449 PolarHBondContact OH-NZ 3.48Å; Y445-L487 HydrophobicContact CD1-CB 4.48Å; Y445-L487 HydrophobicContact CD1-CD2 3.87Å
446Q93.9Very high91.9Very high67 Ų6737.1 Ų37.131%0.31321%0.206SC..Hα-helixtrans-64.7-42.1175.4-174.2174.536.800112.1L442 P443 E444 T450 L487L442-Q446 VanDerWaalsContact O-CB 3.31Å; L442-Q446 WeakPolarHBondContact O-CB 3.28Å; L442-Q446 PolarHBondContact O-N 3.19Å; P443-Q446 PolarHBondContact O-N 2.84Å; E444-Q446 VanDerWaalsContact C-N 3.28Å; E444-Q446 PolarHBondContact O-N 3.35Å; Q446-T450 VanDerWaalsContact O-CB 3.28Å; Q446-T450 WeakPolarHBondContact O-CB 3.43Å; Q446-T450 PolarHBondContact O-N 2.74Å; Q446-T450 PolarHBondContact O-OG1 3.19Å; Q446-L487 HydrophobicContact CB-CD2 4.4Å; Q446-L487 WeakPolarHBondContact CG-O 3.15Å; Q446-L487 PolarHBondContact NE2-O 2.97Å
447M92.3Very high91.6Very high128 Ų12837.8 Ų37.863%0.63121%0.209SC*.Hα-helixtrans-62-46.6176.4-74.2174.660.800111.5P443 E444 T450 A451P443-M447 VanDerWaalsContact O-CG 3.32Å; P443-M447 WeakPolarHBondContact O-CG 3.48Å; P443-M447 PolarHBondContact O-N 3.45Å; E444-M447 WeakPolarHBondContact O-CB 3.41Å; E444-M447 PolarHBondContact O-N 3.03Å; E444-M447 VanDerWaalsContact O-N 3.09Å; M447-T450 PolarHBondContact O-N 2.87Å; M447-A451 PolarHBondContact O-N 3.35Å
448V91.7Very high91.2Very high10 Ų1035.8 Ų35.86%0.06120%0.197CC..Hα-helixtrans-57-55.8176.1166.60000111.1E444 Y445 T450 A451 N452 L569 E657E444-V448 WeakPolarHBondContact O-CG2 3.39Å; E444-V448 PolarHBondContact O-N 2.61Å; Y445-V448 PolarHBondContact O-N 2.97Å; V448-T450 PolarHBondContact O-N 2.53Å; V448-A451 PolarHBondContact O-N 3.39Å; V448-N452 PolarHBondContact O-N 2.84Å; V448-N452 PolarHBondContact O-OD1 3.35Å; V448-L569 HydrophobicContact CG2-CD2 3.3Å; V448-E657 WeakPolarHBondContact CG1-O 3.26Å
449K91.6Very high90.9Very high50 Ų5038.6 Ų38.622%0.21721%0.21CC..Hα-helixtrans-58.7-37.2179.5-71.6-67.9-172.3173.20112.1E326 Y445 F453E326-K449 IonicContact OE2-NZ 3.95Å; Y445-K449 HydrophobicContact CD1-CG 4.13Å; Y445-K449 HydrophobicContact CE1-CD 4.44Å; Y445-K449 HydrophobicContact CE1-CG 3.87Å; Y445-K449 WeakPolarHBondContact O-CB 3.49Å; Y445-K449 VanDerWaalsContact O-CG 3.32Å; Y445-K449 WeakPolarHBondContact O-CG 3.21Å; Y445-K449 PolarHBondContact O-N 2.89Å; Y445-K449 WeakPolarHBondContact OH-CE 3.33Å; Y445-K449 PolarHBondContact OH-NZ 3.48Å; K449-F453 VanDerWaalsContact O-CB 3.27Å; K449-F453 WeakPolarHBondContact O-CB 3.44Å; K449-F453 PolarHBondContact O-N 3.15Å
450T93.1Very high90.7Very high51 Ų5141 Ų4131%0.31322%0.216SC..Hα-helixtrans-67.3-47.9177.4-58.30000111.7Q446 M447 V448 N452 F453 L454Q446-T450 VanDerWaalsContact O-CB 3.28Å; Q446-T450 WeakPolarHBondContact O-CB 3.43Å; Q446-T450 PolarHBondContact O-N 2.74Å; Q446-T450 PolarHBondContact O-OG1 3.19Å; M447-T450 PolarHBondContact O-N 2.87Å; V448-T450 PolarHBondContact O-N 2.53Å; T450-N452 VanDerWaalsContact C-N 3.35Å; T450-N452 PolarHBondContact O-N 3.19Å; T450-F453 PolarHBondContact O-N 3.07Å; T450-L454 HydrophobicContact CG2-CD1 3.83Å; T450-L454 HydrophobicContact CG2-CG 4.21Å; T450-L454 WeakPolarHBondContact O-CB 3.22Å; T450-L454 VanDerWaalsContact O-CG 3.23Å; T450-L454 WeakPolarHBondContact O-CG 3.36Å; T450-L454 PolarHBondContact O-N 3.14Å
451A91.7Very high90.7Very high18 Ų1838.2 Ų38.215%0.14920%0.199CC..Hα-helixtrans-59.4-47177.500000111.1M447 V448 F453 L454 Y455 F573M447-A451 PolarHBondContact O-N 3.35Å; V448-A451 PolarHBondContact O-N 3.39Å; A451-F453 VanDerWaalsContact C-N 3.34Å; A451-F453 PolarHBondContact O-N 3Å; A451-L454 PolarHBondContact O-N 3.36Å; A451-Y455 VanDerWaalsContact O-CD2 3.31Å; A451-Y455 WeakPolarHBondContact O-CD2 3.42Å; A451-Y455 PolarHBondContact O-N 2.93Å; A451-F573 HydrophobicContact CB-CE1 4.32Å; A451-F573 HydrophobicContact CB-CZ 4.02Å
452N89.2Confident90.7Very high36 Ų3639.7 Ų39.719%0.19321%0.206CC..Hα-helixtrans-61.4-44-179.8-62.32.2000110.9V448 T450 Y455 T456 D659V448-N452 PolarHBondContact O-N 2.84Å; V448-N452 PolarHBondContact O-OD1 3.35Å; T450-N452 VanDerWaalsContact C-N 3.35Å; T450-N452 PolarHBondContact O-N 3.19Å; N452-Y455 CarbonylContact O-C 3.54Å; N452-T456 PolarHBondContact O-N 3.45Å; N452-T456 PolarHBondContact O-OG1 2.78Å; N452-D659 WeakPolarHBondContact OD1-CB 3.39Å
453F92.4Very high90.6Very high13 Ų1343.7 Ų43.76%0.05723%0.227CC..Hα-helixtrans-63.8-45177.3177.7-101.1000113.2S12 K449 T450 A451 Y455 T456 R485 L486S12-F453 WeakPolarHBondContact CB-O 3.19Å; K449-F453 VanDerWaalsContact O-CB 3.27Å; K449-F453 WeakPolarHBondContact O-CB 3.44Å; K449-F453 PolarHBondContact O-N 3.15Å; T450-F453 PolarHBondContact O-N 3.07Å; A451-F453 VanDerWaalsContact C-N 3.34Å; A451-F453 PolarHBondContact O-N 3Å; F453-Y455 PolarHBondContact O-N 3.24Å; F453-T456 WeakPolarHBondContact CA-OG1 3.4Å; F453-T456 PolarHBondContact O-N 3.38Å; F453-T456 PolarHBondContact O-OG1 3.5Å; F453-R485 HydrophobicContact CD2-CB 4.1Å; F453-L486 HydrophobicContact CB-CD2 3.48Å; F453-L486 VanDerWaalsContact CB-CD2 3.48Å; F453-L486 HydrophobicContact CB-CG 4.25Å; F453-L486 HydrophobicContact CD1-CD1 3.84Å; F453-L486 HydrophobicContact CD1-CD2 3.86Å; F453-L486 HydrophobicContact CD1-CG 4.02Å; F453-L486 HydrophobicContact CD2-CD2 4.46Å; F453-L486 HydrophobicContact CD2-CG 4.35Å; F453-L486 HydrophobicContact CE1-CD1 4Å; F453-L486 HydrophobicContact CG-CD1 4.28Å; F453-L486 HydrophobicContact CG-CD2 3.68Å; F453-L486 HydrophobicContact CG-CG 3.94Å
454L92.3Very high90.6Very high38 Ų3840.5 Ų40.520%0.19921%0.207CC..Hα-helixtrans-65.4-25.2-176.5-71.2174.3000113.4S12 R13 T450 A451S12-L454 PolarHBondContact OG-O 3.42Å; R13-L454 WeakPolarHBondContact CB-O 3.36Å; R13-L454 HydrophobicContact CG-CB 4.42Å; R13-L454 HydrophobicContact CG-CD2 3.9Å; R13-L454 PolarHBondContact N-O 3.13Å; T450-L454 HydrophobicContact CG2-CD1 3.83Å; T450-L454 HydrophobicContact CG2-CG 4.21Å; T450-L454 WeakPolarHBondContact O-CB 3.22Å; T450-L454 VanDerWaalsContact O-CG 3.23Å; T450-L454 WeakPolarHBondContact O-CG 3.36Å; T450-L454 PolarHBondContact O-N 3.14Å; A451-L454 PolarHBondContact O-N 3.36Å
455Y90.8Very high90.8Very high29 Ų2939.3 Ų39.311%0.11420%0.201CC..THydrogen-bonded Turntrans-119.425.7-179.7-57.1-72.7000112.2I14 A451 N452 F453 F573 P614 K615 F678I14-Y455 HydrophobicContact CG2-CD1 4.26Å; A451-Y455 VanDerWaalsContact O-CD2 3.31Å; A451-Y455 WeakPolarHBondContact O-CD2 3.42Å; A451-Y455 PolarHBondContact O-N 2.93Å; N452-Y455 CarbonylContact O-C 3.54Å; F453-Y455 PolarHBondContact O-N 3.24Å; Y455-F573 AromaticContact CD2-CD1 3.78Å; Y455-F573 HydrophobicContact CD2-CD1 3.78Å; Y455-F573 HydrophobicContact CD2-CE1 4.05Å; Y455-F573 HydrophobicContact CD2-CG 4.46Å; Y455-F573 HydrophobicContact CE1-CB 4.34Å; Y455-F573 HydrophobicContact CE2-CB 3.95Å; Y455-F573 AromaticContact CE2-CD1 3.31Å; Y455-F573 HydrophobicContact CE2-CD1 3.31Å; Y455-F573 HydrophobicContact CE2-CD2 4.22Å; Y455-F573 AromaticContact CE2-CE1 3.78Å; Y455-F573 HydrophobicContact CE2-CE1 3.78Å; Y455-F573 AromaticContact CE2-CG 3.56Å; Y455-F573 HydrophobicContact CE2-CG 3.56Å; Y455-F573 HydrophobicContact CE2-CZ 4.41Å; Y455-F573 AromaticContact CZ-CD1 3.89Å; Y455-F573 AromaticContact CZ-CG 3.76Å; Y455-F573 WeakPolarHBondContact OH-CB 3.47Å; Y455-P614 VanDerWaalsContact CD1-CD 3.41Å; Y455-P614 HydrophobicContact CD1-CG 3.67Å; Y455-P614 HydrophobicContact CD2-CG 4.35Å; Y455-P614 HydrophobicContact CE1-CG 3.84Å; Y455-P614 HydrophobicContact CG-CG 3.94Å; Y455-K615 PolarHBondContact O-NZ 3.34Å; Y455-F678 AromaticContact CD2-CE1 3.74Å; Y455-F678 HydrophobicContact CD2-CE1 3.74Å; Y455-F678 AromaticContact CD2-CZ 3.96Å; Y455-F678 HydrophobicContact CD2-CZ 3.96Å; Y455-F678 HydrophobicContact CG-CE1 4.02Å; Y455-F678 HydrophobicContact CG-CZ 4.45Å
456T88Confident91Very high39 Ų3940 Ų4024%0.23921%0.207CC..PPolyproline II helixtrans-71.7126.7169.7-58.40000108.6S12 I14 N452 F453S12-T456 VanDerWaalsContact CB-O 3.31Å; S12-T456 WeakPolarHBondContact CB-O 3.37Å; S12-T456 PolarHBondContact OG-N 2.73Å; S12-T456 PolarHBondContact OG-O 3.12Å; I14-T456 WeakPolarHBondContact CD1-O 3.42Å; I14-T456 WeakPolarHBondContact CG1-O 3.21Å; N452-T456 PolarHBondContact O-N 3.45Å; N452-T456 PolarHBondContact O-OG1 2.78Å; F453-T456 WeakPolarHBondContact CA-OG1 3.4Å; F453-T456 PolarHBondContact O-N 3.38Å; F453-T456 PolarHBondContact O-OG1 3.5Å
457E84.4Confident91Very high36 Ų3638.4 Ų38.417%0.16820%0.2CC..PPolyproline II helixtrans-73147.4175.5-66.3-176.2172.700110.5I14 E459 C613 N947 M948I14-E457 HydrophobicContact CD1-CB 4.3Å; I14-E457 HydrophobicContact CD1-CG 3.65Å; E457-E459 PolarHBondContact O-N 3Å; E457-C613 HydrophobicContact CG-CB 4.47Å; E457-C613 WeakPolarHBondContact OE1-CB 3.17Å; E457-C613 PolarHBondContact OE1-SG 3.31Å; E457-C613 VanDerWaalsContact OE1-SG 3.36Å; E457-N947 HydrophobicContact CB-CB 4.36Å; E457-N947 WeakPolarHBondContact OE2-CB 3.36Å; E457-M948 VanDerWaalsContact OE1-CB 3.29Å; E457-M948 WeakPolarHBondContact OE1-CB 3.47Å; E457-M948 WeakPolarHBondContact OE2-CB 3.31Å; E457-M948 PolarHBondContact OE2-N 3.47Å
458P83.1Confident91.2Very high23 Ų2332.3 Ų32.315%0.14917%0.17CC..PPolyproline II helixtrans-53.3130.6170.2-28.137.4000111.9
459E85.4Confident91.4Very high59 Ų5931.8 Ų31.828%0.27617%0.167SC..PPolyproline II helixtrans-71.8165.3170.3-65.9162-166.500110.3E457 D463 T464 R485E457-E459 PolarHBondContact O-N 3Å; E459-D463 HydrophobicContact CB-CB 4.02Å; E459-T464 PolarHBondContact O-OG1 3.02Å; E459-R485 IonicContact OE1-CZ 2.63Å; E459-R485 IonicContact OE1-NH1 3.75Å; E459-R485 IonicContact OE1-NH2 3.78Å; E459-R485 PolarHBondContact OE1-NH2 3.08Å
460E86.7Confident91.5Very high85 Ų8530.5 Ų30.540%0.39716%0.163SC..PPolyproline II helixtrans-54.5157.3169.9-70.7-79.4-165.900110.9E462 D463 T464 P946E460-E462 VanDerWaalsContact C-N 3.29Å; E460-E462 PolarHBondContact O-N 3.31Å; E460-D463 PolarHBondContact O-N 3.08Å; E460-T464 WeakPolarHBondContact O-CB 3.44Å; E460-T464 PolarHBondContact O-N 2.79Å; E460-T464 PolarHBondContact O-OG1 3.22Å; E460-P946 HydrophobicContact CG-CG 4.3Å; E460-P946 VanDerWaalsContact OE1-CG 3.26Å; E460-P946 WeakPolarHBondContact OE1-CG 3.35Å
461A91.7Very high91.6Very high8 Ų828.4 Ų28.47%0.06615%0.149CC..Hα-helixtrans-58.8-41.4-174.500000112.5A80 Q252 V465A80-A461 HydrophobicContact CB-CB 3.86Å; Q252-A461 HydrophobicContact CG-CB 4.31Å; A461-V465 WeakPolarHBondContact O-CG2 3.43Å; A461-V465 PolarHBondContact O-N 3.11Å; A461-V465 VanDerWaalsContact O-N 3.11Å
462E93.5Very high91.7Very high38 Ų3827.7 Ų27.718%0.17814%0.143CC..Hα-helixtrans-63.1-53.2178.6-172.6170-148.900112.1H143 D145 E460 T464 V465 V466H143-E462 IonicContact CE1-OE1 3.96Å; H143-E462 PolarHBondContact CE1-OE1 2.97Å; H143-E462 WeakPolarHBondContact ND1-CG 3.24Å; H143-E462 IonicContact ND1-OE1 2.75Å; H143-E462 PolarHBondContact ND1-OE1 3.4Å; D145-E462 HydrophobicContact CB-CB 4.23Å; E460-E462 VanDerWaalsContact C-N 3.29Å; E460-E462 PolarHBondContact O-N 3.31Å; E462-T464 VanDerWaalsContact C-N 3.26Å; E462-T464 PolarHBondContact O-N 2.95Å; E462-V465 WeakPolarHBondContact O-CG2 3.28Å; E462-V465 PolarHBondContact O-N 3.38Å; E462-V466 WeakPolarHBondContact O-CB 3.32Å; E462-V466 VanDerWaalsContact O-CG2 3.3Å; E462-V466 WeakPolarHBondContact O-CG2 3.16Å; E462-V466 PolarHBondContact O-N 3.3Å
463D92.3Very high91.9Very high89 Ų8927 Ų2748%0.47614%0.139SC..Hα-helixtrans-57.7-41.7177.9-67.7-38.5000111.6E459 E460 V466 N467E459-D463 HydrophobicContact CB-CB 4.02Å; E460-D463 PolarHBondContact O-N 3.08Å; D463-V466 PolarHBondContact O-N 3.02Å; D463-N467 WeakPolarHBondContact O-CB 3.47Å; D463-N467 PolarHBondContact O-N 2.9Å
464T93.7Very high91.9Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-59.2-52.1177.6-66.40000111.2R17 Q252 E459 E460 E462 N467 L468 Y481R17-T464 PolarHBondContact NH1-OG1 3.25Å; Q252-T464 VanDerWaalsContact OE1-CB 3.22Å; E459-T464 PolarHBondContact O-OG1 3.02Å; E460-T464 WeakPolarHBondContact O-CB 3.44Å; E460-T464 PolarHBondContact O-N 2.79Å; E460-T464 PolarHBondContact O-OG1 3.22Å; E462-T464 VanDerWaalsContact C-N 3.26Å; E462-T464 PolarHBondContact O-N 2.95Å; T464-N467 PolarHBondContact O-N 2.77Å; T464-L468 HydrophobicContact CG2-CD1 3.78Å; T464-L468 HydrophobicContact CG2-CG 4.34Å; T464-L468 WeakPolarHBondContact O-CB 3.3Å; T464-L468 VanDerWaalsContact O-CG 3.22Å; T464-L468 WeakPolarHBondContact O-CG 3.32Å; T464-L468 PolarHBondContact O-N 2.98Å; T464-Y481 WeakPolarHBondContact CG2-OH 3.49Å
465V97.1Very high91.9Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-68.4-38.2-176.7-64.90000111.7A80 A82 A250 Q252 A461 E462 L468 A469A80-V465 HydrophobicContact CB-CG1 4.17Å; A80-V465 HydrophobicContact CB-CG2 3.64Å; A82-V465 HydrophobicContact CB-CB 3.96Å; A82-V465 HydrophobicContact CB-CG2 3.81Å; A82-V465 WeakPolarHBondContact CB-O 3.28Å; A250-V465 HydrophobicContact CB-CB 3.82Å; A250-V465 HydrophobicContact CB-CG1 4.14Å; A250-V465 VanDerWaalsContact CB-O 3.27Å; A250-V465 WeakPolarHBondContact CB-O 3.35Å; Q252-V465 HydrophobicContact CB-CG1 3.61Å; A461-V465 WeakPolarHBondContact O-CG2 3.43Å; A461-V465 PolarHBondContact O-N 3.11Å; A461-V465 VanDerWaalsContact O-N 3.11Å; E462-V465 WeakPolarHBondContact O-CG2 3.28Å; E462-V465 PolarHBondContact O-N 3.38Å; V465-L468 PolarHBondContact O-N 2.78Å; V465-A469 VanDerWaalsContact O-CB 3.3Å; V465-A469 WeakPolarHBondContact O-CB 3.34Å; V465-A469 PolarHBondContact O-N 3.44Å
466V96.7Very high92Very high24 Ų2427.7 Ų27.715%0.14514%0.142CC..Hα-helixtrans-57.2-52.8175.31620000110.7A82 W134 L141 H143 E462 D463 L468 A469 N470A82-V466 HydrophobicContact CB-CG2 4.3Å; W134-V466 HydrophobicContact CH2-CG1 3.51Å; W134-V466 HydrophobicContact CH2-CG2 4.4Å; W134-V466 HydrophobicContact CZ2-CG1 4.05Å; L141-V466 HydrophobicContact CD1-CG1 4.35Å; L141-V466 HydrophobicContact CD2-CG1 4.39Å; L141-V466 HydrophobicContact CD2-CG2 4.13Å; H143-V466 HydrophobicContact CB-CG2 3.69Å; H143-V466 VanDerWaalsContact CG-CG2 3.47Å; E462-V466 WeakPolarHBondContact O-CB 3.32Å; E462-V466 VanDerWaalsContact O-CG2 3.3Å; E462-V466 WeakPolarHBondContact O-CG2 3.16Å; E462-V466 PolarHBondContact O-N 3.3Å; D463-V466 PolarHBondContact O-N 3.02Å; V466-L468 PolarHBondContact O-N 2.9Å; V466-A469 PolarHBondContact O-N 3.49Å; V466-N470 PolarHBondContact O-N 3.4Å; V466-N470 VanDerWaalsContact O-N 3.15Å
467N93.8Very high92.1Very high32 Ų3226.8 Ų26.817%0.17114%0.136CC..Hα-helixtrans-61.9-45.9-179.3179.445.4000111D463 T464 N470 M471D463-N467 WeakPolarHBondContact O-CB 3.47Å; D463-N467 PolarHBondContact O-N 2.9Å; T464-N467 PolarHBondContact O-N 2.77Å; N467-N470 PolarHBondContact O-N 2.64Å; N467-M471 VanDerWaalsContact O-CB 3.27Å; N467-M471 WeakPolarHBondContact O-CB 3.43Å; N467-M471 WeakPolarHBondContact O-CG 3.47Å; N467-M471 PolarHBondContact O-N 3.4Å; N467-M471 WeakPolarHBondContact OD1-CG 3.29Å
468L95.4Very high92.5Very high0 Ų028.1 Ų28.10%014%0.143CC..Hα-helixtrans-63.8-45.7-179.9-74179.8000113Y19 I31 V33 A250 T464 V465 V466 N470 M471 L472 V480 Y481Y19-L468 HydrophobicContact CE1-CD1 4.31Å; I31-L468 HydrophobicContact CD1-CD1 4.37Å; I31-L468 HydrophobicContact CD1-CD2 4.28Å; I31-L468 HydrophobicContact CG2-CB 3.92Å; I31-L468 HydrophobicContact CG2-CD1 4.04Å; I31-L468 HydrophobicContact CG2-CG 4.48Å; V33-L468 HydrophobicContact CG2-CD1 3.67Å; A250-L468 HydrophobicContact CB-CB 3.75Å; T464-L468 HydrophobicContact CG2-CD1 3.78Å; T464-L468 HydrophobicContact CG2-CG 4.34Å; T464-L468 WeakPolarHBondContact O-CB 3.3Å; T464-L468 VanDerWaalsContact O-CG 3.22Å; T464-L468 WeakPolarHBondContact O-CG 3.32Å; T464-L468 PolarHBondContact O-N 2.98Å; V465-L468 PolarHBondContact O-N 2.78Å; V466-L468 PolarHBondContact O-N 2.9Å; L468-N470 VanDerWaalsContact C-N 3.3Å; L468-N470 PolarHBondContact O-N 2.91Å; L468-M471 PolarHBondContact O-N 3.23Å; L468-L472 WeakPolarHBondContact O-CG 2.98Å; L468-L472 PolarHBondContact O-N 2.88Å; L468-V480 HydrophobicContact CD2-CB 3.9Å; L468-V480 HydrophobicContact CD2-CG2 3.64Å; L468-Y481 HydrophobicContact CD1-CE2 4.37Å; L468-Y481 HydrophobicContact CD2-CD2 4.09Å; L468-Y481 HydrophobicContact CD2-CE1 4.39Å; L468-Y481 HydrophobicContact CD2-CE2 3.69Å; L468-Y481 HydrophobicContact CG-CE2 4.45Å
469A96.7Very high92.9Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-59.4-42.8178.400000111A82 C84 T248 A250 V465 V466A82-A469 HydrophobicContact CB-CB 3.85Å; A82-A469 WeakPolarHBondContact O-CB 3.39Å; C84-A469 HydrophobicContact CB-CB 4.12Å; T248-A469 WeakPolarHBondContact CB-O 3.22Å; T248-A469 PolarHBondContact OG1-O 3.45Å; A250-A469 HydrophobicContact CB-CB 4.14Å; V465-A469 VanDerWaalsContact O-CB 3.3Å; V465-A469 WeakPolarHBondContact O-CB 3.34Å; V465-A469 PolarHBondContact O-N 3.44Å; V466-A469 PolarHBondContact O-N 3.49Å
470N94.3Very high93.3Very high23 Ų2324.8 Ų24.812%0.12313%0.125CC..Hα-helixtrans-67-50.3175.9-168.720.1000112L141 V466 N467 L468 L472 H473L141-N470 HydrophobicContact CD1-CB 4.1Å; V466-N470 PolarHBondContact O-N 3.4Å; V466-N470 VanDerWaalsContact O-N 3.15Å; N467-N470 PolarHBondContact O-N 2.64Å; L468-N470 VanDerWaalsContact C-N 3.3Å; L468-N470 PolarHBondContact O-N 2.91Å; N470-L472 VanDerWaalsContact C-N 3.27Å; N470-L472 PolarHBondContact O-N 3.45Å; N470-H473 WeakPolarHBondContact O-CB 3.16Å; N470-H473 PolarHBondContact O-N 2.86Å
471M94.3Very high93.4Very high6 Ų621.3 Ų21.33%0.0311%0.108CC..Hα-helixtrans-62.9-29.4-175-75.4-63.7-7700113.6T360 N467 L468 H473 L474 V475 V480 Y484T360-M471 HydrophobicContact CG2-SD 4.39Å; N467-M471 VanDerWaalsContact O-CB 3.27Å; N467-M471 WeakPolarHBondContact O-CB 3.43Å; N467-M471 WeakPolarHBondContact O-CG 3.47Å; N467-M471 PolarHBondContact O-N 3.4Å; N467-M471 WeakPolarHBondContact OD1-CG 3.29Å; L468-M471 PolarHBondContact O-N 3.23Å; M471-H473 PolarHBondContact O-N 2.83Å; M471-H473 VanDerWaalsContact O-N 3.12Å; M471-L474 PolarHBondContact O-N 3.19Å; M471-L474 HydrophobicContact SD-CB 4.43Å; M471-L474 HydrophobicContact SD-CD1 4.05Å; M471-V475 HydrophobicContact CB-CG2 4.31Å; M471-V475 HydrophobicContact CE-CB 4.4Å; M471-V475 HydrophobicContact CE-CG1 3.75Å; M471-V475 HydrophobicContact CE-CG2 3.69Å; M471-V475 WeakPolarHBondContact O-CG2 3.35Å; M471-V475 PolarHBondContact O-N 2.99Å; M471-V480 HydrophobicContact CB-CB 4.36Å; M471-Y484 HydrophobicContact CE-CD2 3.85Å; M471-Y484 HydrophobicContact CE-CE2 4.38Å; M471-Y484 HydrophobicContact SD-CD2 4.2Å; M471-Y484 HydrophobicContact SD-CE2 4.46Å
472L94.8Very high93.4Very high3 Ų320.9 Ų20.92%0.01611%0.105CC..Hα-helixtrans-59.9-19.1173-77.7172.2000113.9Y21 R29 I31 T248 L468 N470 V480Y21-L472 HydrophobicContact CD2-CD2 4.13Å; Y21-L472 HydrophobicContact CE2-CD2 4.06Å; R29-L472 PolarHBondContact NH1-O 3.4Å; R29-L472 PolarHBondContact NH2-O 2.88Å; I31-L472 HydrophobicContact CB-CD1 4.11Å; I31-L472 HydrophobicContact CG2-CD1 3.77Å; T248-L472 HydrophobicContact CG2-CB 3.47Å; T248-L472 VanDerWaalsContact CG2-CB 3.47Å; T248-L472 HydrophobicContact CG2-CD1 4.34Å; L468-L472 WeakPolarHBondContact O-CG 2.98Å; L468-L472 PolarHBondContact O-N 2.88Å; N470-L472 VanDerWaalsContact C-N 3.27Å; N470-L472 PolarHBondContact O-N 3.45Å; L472-V480 HydrophobicContact CD2-CG1 3.71Å; L472-V480 HydrophobicContact CG-CG1 4.14Å
473H92.9Very high93.2Very high23 Ų2319.2 Ų19.211%0.10610%0.098CC..Hα-helixtrans-87.4-22.6170.9-75.3-58.4000114.1R29 C84 Y139 R246 T248 N470 M471R29-H473 PolarHBondContact NH2-CE1 2.86Å; R29-H473 PolarHBondContact NH2-ND1 2.92Å; C84-H473 PolarHBondContact O-NE2 2.79Å; Y139-H473 HydrophobicContact CD1-CB 4.42Å; Y139-H473 AromaticContact CD1-CD2 3.9Å; Y139-H473 HydrophobicContact CE1-CB 3.54Å; Y139-H473 AromaticContact CE1-CD2 3.79Å; Y139-H473 AromaticContact CE1-CG 3.65Å; R246-H473 PolarHBondContact O-CE1 2.7Å; T248-H473 PolarHBondContact OG1-CD2 2.93Å; T248-H473 PolarHBondContact OG1-NE2 3.38Å; N470-H473 WeakPolarHBondContact O-CB 3.16Å; N470-H473 PolarHBondContact O-N 2.86Å; M471-H473 PolarHBondContact O-N 2.83Å; M471-H473 VanDerWaalsContact O-N 3.12Å
474L92.2Very high93Very high14 Ų1416.2 Ų16.27%0.0738%0.081CC..Hα-helixtrans-101.7-32.7-168.3-58.2179.3000113Y139 I317 T360 M471 Y484Y139-L474 HydrophobicContact CE2-CD2 4.38Å; I317-L474 HydrophobicContact CD1-CD2 3.74Å; I317-L474 HydrophobicContact CG1-CD2 4.13Å; T360-L474 HydrophobicContact CG2-CD1 4.35Å; M471-L474 PolarHBondContact O-N 3.19Å; M471-L474 HydrophobicContact SD-CB 4.43Å; M471-L474 HydrophobicContact SD-CD1 4.05Å; L474-Y484 HydrophobicContact CB-CE2 4.41Å
475V92.9Very high92.8Very high8 Ų819.7 Ų19.75%0.0489%0.093CC..SBendtrans-131.8170.6-173.4-58.10000112.1Y320 M471 H479 V480 Y484Y320-V475 HydrophobicContact CD1-CG1 3.86Å; Y320-V475 HydrophobicContact CD2-CB 4.45Å; Y320-V475 HydrophobicContact CD2-CG1 3.73Å; Y320-V475 HydrophobicContact CE1-CB 4.18Å; Y320-V475 HydrophobicContact CE1-CG1 3.99Å; Y320-V475 HydrophobicContact CE2-CB 4.06Å; Y320-V475 HydrophobicContact CE2-CG1 3.85Å; Y320-V475 HydrophobicContact CG-CG1 3.73Å; M471-V475 HydrophobicContact CB-CG2 4.31Å; M471-V475 HydrophobicContact CE-CB 4.4Å; M471-V475 HydrophobicContact CE-CG1 3.75Å; M471-V475 HydrophobicContact CE-CG2 3.69Å; M471-V475 WeakPolarHBondContact O-CG2 3.35Å; M471-V475 PolarHBondContact O-N 2.99Å; V475-H479 HydrophobicContact CB-CB 4.33Å; V475-H479 HydrophobicContact CG2-CB 4.33Å; V475-V480 HydrophobicContact CG2-CG1 4.27Å; V475-Y484 HydrophobicContact CG1-CD2 4.37Å; V475-Y484 HydrophobicContact CG1-CE2 4Å
476K91.7Very high92.6Very high72 Ų7220.8 Ų20.831%0.31310%0.099SC..  trans-65.7151.3170.3-65.5174.5-178.8168.30109.9M1 E321 E478 H479 V480M1-K476 HydrophobicContact CE-CG 3.81Å; M1-K476 HydrophobicContact SD-CB 4.37Å; M1-K476 HydrophobicContact SD-CG 3.71Å; E321-K476 IonicContact OE1-NZ 3.99Å; K476-E478 VanDerWaalsContact C-N 3.28Å; K476-E478 HydrophobicContact CB-CG 3.84Å; K476-E478 HydrophobicContact CD-CG 4.39Å; K476-E478 VanDerWaalsContact CD-OE1 3.28Å; K476-E478 WeakPolarHBondContact CD-OE1 3.4Å; K476-E478 IonicContact NZ-OE1 2.87Å; K476-E478 PolarHBondContact O-N 3.47Å; K476-H479 CarbonylContact O-C 3.59Å; K476-H479 WeakPolarHBondContact O-CA 3.33Å; K476-H479 PolarHBondContact O-N 3.23Å; K476-V480 PolarHBondContact O-N 3.22Å
477C90.7Very high92.5Very high19 Ų1919.8 Ų19.813%0.1289%0.093CC..G310 helixtrans-55.7-40.8-179-173.60000113.4Y21 H479 V480Y21-C477 WeakPolarHBondContact CB-SG 3.31Å; Y21-C477 HydrophobicContact CD2-CB 4.24Å; Y21-C477 WeakPolarHBondContact CD2-SG 3.42Å; Y21-C477 HydrophobicContact CG-CB 4.49Å; Y21-C477 VanDerWaalsContact CG-SG 3.51Å; C477-H479 PolarHBondContact O-N 2.95Å; C477-H479 VanDerWaalsContact O-N 3.15Å; C477-V480 WeakPolarHBondContact O-CG1 3.23Å; C477-V480 WeakPolarHBondContact O-CG2 3.49Å; C477-V480 PolarHBondContact O-N 3.5Å
478E91.6Very high92.4Very high64 Ų6420.4 Ų20.430%0.2999%0.094SC..G310 helixtrans-59.2-22.6175.947.6179.8-162.800113.6A7 E10 K476A7-E478 HydrophobicContact CB-CB 4.23Å; E10-E478 PolarHBondContact N-O 3.23Å; K476-E478 VanDerWaalsContact C-N 3.28Å; K476-E478 HydrophobicContact CB-CG 3.84Å; K476-E478 HydrophobicContact CD-CG 4.39Å; K476-E478 VanDerWaalsContact CD-OE1 3.28Å; K476-E478 WeakPolarHBondContact CD-OE1 3.4Å; K476-E478 IonicContact NZ-OE1 2.87Å; K476-E478 PolarHBondContact O-N 3.47Å
479H93.3Very high92.3Very high11 Ų1126.5 Ų26.55%0.05112%0.121CC..G310 helixtrans-11010.2-173.1-59.5171.4000113.4E10 Y320 E321 V475 K476 C477 Y481 S482 G483 K488E10-H479 IonicContact OE1-CD2 3.91Å; E10-H479 PolarHBondContact OE1-CD2 2.94Å; E10-H479 IonicContact OE1-NE2 2.61Å; E10-H479 PolarHBondContact OE1-NE2 3.21Å; Y320-H479 HydrophobicContact CE2-CB 4.03Å; Y320-H479 AromaticContact CE2-ND1 3.42Å; Y320-H479 WeakPolarHBondContact CE2-ND1 3.22Å; Y320-H479 AromaticContact CZ-ND1 3.56Å; Y320-H479 PolarHBondContact OH-ND1 3.38Å; E321-H479 IonicContact OE1-CE1 3.5Å; E321-H479 PolarHBondContact OE1-CE1 3.01Å; E321-H479 IonicContact OE1-ND1 3.73Å; V475-H479 HydrophobicContact CB-CB 4.33Å; V475-H479 HydrophobicContact CG2-CB 4.33Å; K476-H479 CarbonylContact O-C 3.59Å; K476-H479 WeakPolarHBondContact O-CA 3.33Å; K476-H479 PolarHBondContact O-N 3.23Å; C477-H479 PolarHBondContact O-N 2.95Å; C477-H479 VanDerWaalsContact O-N 3.15Å; H479-Y481 PolarHBondContact O-N 2.91Å; H479-Y481 VanDerWaalsContact O-N 3.07Å; H479-S482 PolarHBondContact O-N 2.92Å; H479-G483 WeakPolarHBondContact O-CA 3.42Å; H479-G483 PolarHBondContact O-N 3.18Å; H479-K488 PolarHBondContact CD2-NZ 3.12Å; H479-K488 PolarHBondContact CE1-NZ 2.92Å; H479-K488 VanDerWaalsContact CG-NZ 3.31Å; H479-K488 PolarHBondContact NE2-NZ 3.17Å
480V92.1Very high92Very high1 Ų129 Ų291%0.00614%0.137CC..THydrogen-bonded Turntrans-57.2-28.8-174.1-690000113.9L9 I31 L468 M471 L472 V475 K476 C477L9-V480 HydrophobicContact CD1-CG2 3.38Å; L9-V480 HydrophobicContact CG-CG2 4.06Å; I31-V480 HydrophobicContact CD1-CG2 4.06Å; L468-V480 HydrophobicContact CD2-CB 3.9Å; L468-V480 HydrophobicContact CD2-CG2 3.64Å; M471-V480 HydrophobicContact CB-CB 4.36Å; L472-V480 HydrophobicContact CD2-CG1 3.71Å; L472-V480 HydrophobicContact CG-CG1 4.14Å; V475-V480 HydrophobicContact CG2-CG1 4.27Å; K476-V480 PolarHBondContact O-N 3.22Å; C477-V480 WeakPolarHBondContact O-CG1 3.23Å; C477-V480 WeakPolarHBondContact O-CG2 3.49Å; C477-V480 PolarHBondContact O-N 3.5Å
481Y89.2Confident92Very high12 Ų1230.7 Ų30.75%0.04715%0.146CC..THydrogen-bonded Turntrans-94.6-38.9171.5-80-76000113.9L9 E10 R17 Y19 T464 L468 H479 R485L9-Y481 HydrophobicContact CD1-CD2 4.45Å; L9-Y481 HydrophobicContact CD2-CD2 3.54Å; L9-Y481 HydrophobicContact CD2-CE2 4.07Å; L9-Y481 HydrophobicContact CG-CD2 4.44Å; E10-Y481 WeakPolarHBondContact O-CB 3.07Å; R17-Y481 PolarHBondContact NH2-OH 3.28Å; Y19-Y481 HydrophobicContact CD1-CE2 4.31Å; Y19-Y481 AromaticContact CE1-CE2 3.48Å; Y19-Y481 HydrophobicContact CE1-CE2 3.48Å; Y19-Y481 VanDerWaalsContact CE1-CE2 3.48Å; Y19-Y481 AromaticContact CE1-CZ 3.95Å; Y19-Y481 WeakPolarHBondContact CE1-OH 3.42Å; Y19-Y481 AromaticContact CZ-CE2 3.61Å; Y19-Y481 AromaticContact CZ-CZ 3.98Å; Y19-Y481 PolarHBondContact OH-OH 2.72Å; T464-Y481 WeakPolarHBondContact CG2-OH 3.49Å; L468-Y481 HydrophobicContact CD1-CE2 4.37Å; L468-Y481 HydrophobicContact CD2-CD2 4.09Å; L468-Y481 HydrophobicContact CD2-CE1 4.39Å; L468-Y481 HydrophobicContact CD2-CE2 3.69Å; L468-Y481 HydrophobicContact CG-CE2 4.45Å; H479-Y481 PolarHBondContact O-N 2.91Å; H479-Y481 VanDerWaalsContact O-N 3.07Å; Y481-R485 VanDerWaalsContact O-CD 3.26Å; Y481-R485 WeakPolarHBondContact O-CD 3.3Å; Y481-R485 WeakPolarHBondContact O-CG 3.28Å
482S91.7Very high91.9Very high0 Ų032.2 Ų32.20%015%0.154CC..THydrogen-bonded Turntrans-85.2-15.9-174.464.70000114.6E10 H479 Y484 R485 L486 K488E10-S482 WeakPolarHBondContact OE2-CB 3.37Å; E10-S482 PolarHBondContact OE2-OG 2.86Å; H479-S482 PolarHBondContact O-N 2.92Å; S482-Y484 PolarHBondContact O-N 3.46Å; S482-R485 PolarHBondContact O-N 2.96Å; S482-L486 PolarHBondContact O-N 3.37Å; S482-K488 VanDerWaalsContact OG-CE 3.26Å; S482-K488 WeakPolarHBondContact OG-CE 3.38Å; S482-K488 PolarHBondContact OG-NZ 3.03Å
483G90.5Very high91.9Very high3 Ų338.6 Ų38.63%0.03118%0.184CC..THydrogen-bonded Turntrans-59.3133.8175.300000110.7H479 R485H479-G483 WeakPolarHBondContact O-CA 3.42Å; H479-G483 PolarHBondContact O-N 3.18Å; G483-R485 PolarHBondContact O-N 3.44Å
484Y87.7Confident92Very high26 Ų2638.2 Ų38.210%0.10218%0.182CC..THydrogen-bonded Turntrans60.7-16.5-172-55-76.8000116.1I317 Y320 C359 M471 L474 V475 S482I317-Y484 PolarHBondContact O-OH 2.8Å; Y320-Y484 VanDerWaalsContact CB-CZ 3.45Å; C359-Y484 HydrophobicContact CB-CD1 3.6Å; C359-Y484 HydrophobicContact CB-CD2 4.47Å; C359-Y484 HydrophobicContact CB-CE1 3.77Å; C359-Y484 HydrophobicContact CB-CG 3.98Å; M471-Y484 HydrophobicContact CE-CD2 3.85Å; M471-Y484 HydrophobicContact CE-CE2 4.38Å; M471-Y484 HydrophobicContact SD-CD2 4.2Å; M471-Y484 HydrophobicContact SD-CE2 4.46Å; L474-Y484 HydrophobicContact CB-CE2 4.41Å; V475-Y484 HydrophobicContact CG1-CD2 4.37Å; V475-Y484 HydrophobicContact CG1-CE2 4Å; S482-Y484 PolarHBondContact O-N 3.46Å
485R89.2Confident92.1Very high72 Ų7237.5 Ų37.527%0.27218%0.179SC..THydrogen-bonded Turntrans-86.7-35.8175.5-62.3-165.3-178.6-173.5-3.1113.1F453 E459 Y481 S482 G483F453-R485 HydrophobicContact CD2-CB 4.1Å; E459-R485 IonicContact OE1-CZ 2.63Å; E459-R485 IonicContact OE1-NH1 3.75Å; E459-R485 IonicContact OE1-NH2 3.78Å; E459-R485 PolarHBondContact OE1-NH2 3.08Å; Y481-R485 VanDerWaalsContact O-CD 3.26Å; Y481-R485 WeakPolarHBondContact O-CD 3.3Å; Y481-R485 WeakPolarHBondContact O-CG 3.28Å; S482-R485 PolarHBondContact O-N 2.96Å; G483-R485 PolarHBondContact O-N 3.44Å
486L92.9Very high92.3Very high23 Ų2337.6 Ų37.612%0.1218%0.179CC..SBendtrans-104.1131.3177.2-67-174.5000111.5F453 S482 K488F453-L486 HydrophobicContact CB-CD2 3.48Å; F453-L486 VanDerWaalsContact CB-CD2 3.48Å; F453-L486 HydrophobicContact CB-CG 4.25Å; F453-L486 HydrophobicContact CD1-CD1 3.84Å; F453-L486 HydrophobicContact CD1-CD2 3.86Å; F453-L486 HydrophobicContact CD1-CG 4.02Å; F453-L486 HydrophobicContact CD2-CD2 4.46Å; F453-L486 HydrophobicContact CD2-CG 4.35Å; F453-L486 HydrophobicContact CE1-CD1 4Å; F453-L486 HydrophobicContact CG-CD1 4.28Å; F453-L486 HydrophobicContact CG-CD2 3.68Å; F453-L486 HydrophobicContact CG-CG 3.94Å; S482-L486 PolarHBondContact O-N 3.37Å; L486-K488 HydrophobicContact CB-CG 3.9Å; L486-K488 PolarHBondContact O-N 3.4Å; L486-K488 VanDerWaalsContact O-N 3.13Å
487L93.8Very high92.5Very high4 Ų439.5 Ų39.52%0.02119%0.189CC..  trans-78.292163.1179.459000108.7S322 V327 L442 Y445 Q446 P490S322-L487 VanDerWaalsContact O-CD1 3.23Å; S322-L487 WeakPolarHBondContact O-CD1 3.41Å; V327-L487 HydrophobicContact CG2-CD1 4.32Å; V327-L487 HydrophobicContact CG2-CD2 4.13Å; L442-L487 HydrophobicContact CD2-CD2 4.15Å; Y445-L487 HydrophobicContact CD1-CB 4.48Å; Y445-L487 HydrophobicContact CD1-CD2 3.87Å; Q446-L487 HydrophobicContact CB-CD2 4.4Å; Q446-L487 WeakPolarHBondContact CG-O 3.15Å; Q446-L487 PolarHBondContact NE2-O 2.97Å; L487-P490 HydrophobicContact CD1-CB 4.45Å; L487-P490 HydrophobicContact CD1-CG 4.29Å; L487-P490 HydrophobicContact CD2-CB 4.35Å; L487-P490 HydrophobicContact CD2-CG 3.96Å; L487-P490 HydrophobicContact CG-CB 4.49Å; L487-P490 HydrophobicContact CG-CG 3.9Å
488K92.1Very high92.8Very high44 Ų4438.8 Ų38.819%0.19118%0.184CC..  trans-83.3-48.3-173.3-60.9-169.5177.5-161.30113.1E10 E321 H479 S482 L486E10-K488 IonicContact OE1-NZ 2.75Å; E10-K488 PolarHBondContact OE1-NZ 3.47Å; E10-K488 VanDerWaalsContact OE2-CE 3.24Å; E10-K488 WeakPolarHBondContact OE2-CE 3.48Å; E10-K488 IonicContact OE2-NZ 3.46Å; E10-K488 PolarHBondContact OE2-NZ 3.15Å; E321-K488 HydrophobicContact CB-CB 4.39Å; E321-K488 PolarHBondContact O-N 3.43Å; H479-K488 PolarHBondContact CD2-NZ 3.12Å; H479-K488 PolarHBondContact CE1-NZ 2.92Å; H479-K488 VanDerWaalsContact CG-NZ 3.31Å; H479-K488 PolarHBondContact NE2-NZ 3.17Å; S482-K488 VanDerWaalsContact OG-CE 3.26Å; S482-K488 WeakPolarHBondContact OG-CE 3.38Å; S482-K488 PolarHBondContact OG-NZ 3.03Å; L486-K488 HydrophobicContact CB-CG 3.9Å; L486-K488 PolarHBondContact O-N 3.4Å; L486-K488 VanDerWaalsContact O-N 3.13Å
489K92.9Very high93.1Very high128 Ų12835.8 Ų35.856%0.55717%0.17SC*.SBendtrans-129.979.9-174.7-64.8-178.2-171.3154.80109.7E321 S322 N491E321-K489 PolarHBondContact O-N 2.95Å; E321-K489 VanDerWaalsContact OE2-CD 3.29Å; E321-K489 WeakPolarHBondContact OE2-CD 3.36Å; E321-K489 VanDerWaalsContact OE2-CE 3.25Å; E321-K489 WeakPolarHBondContact OE2-CE 3.29Å; E321-K489 IonicContact OE2-NZ 2.92Å; E321-K489 PolarHBondContact OE2-NZ 3.38Å; S322-K489 VanDerWaalsContact CA-O 3.25Å; S322-K489 WeakPolarHBondContact CA-O 3.38Å; S322-K489 WeakPolarHBondContact CB-O 3.49Å; K489-N491 PolarHBondContact O-N 3.28Å
490P91.9Very high93.3Very high52 Ų5242 Ų4234%0.33819%0.193SC..  trans-51.9131.6174.3-18.525.3000111L442 L487L442-P490 HydrophobicContact CD1-CB 4.21Å; L487-P490 HydrophobicContact CD1-CB 4.45Å; L487-P490 HydrophobicContact CD1-CG 4.29Å; L487-P490 HydrophobicContact CD2-CB 4.35Å; L487-P490 HydrophobicContact CD2-CG 3.96Å; L487-P490 HydrophobicContact CG-CB 4.49Å; L487-P490 HydrophobicContact CG-CG 3.9Å
491N93.1Very high93.4Very high60 Ų6043.8 Ų43.832%0.32120%0.202SC..  trans-12891.7-179.5-174.4-17.2000110.1K489 E493 L494 Y495K489-N491 PolarHBondContact O-N 3.28Å; N491-E493 VanDerWaalsContact C-N 3.26Å; N491-E493 PolarHBondContact O-N 2.91Å; N491-E493 PolarHBondContact OD1-N 3.2Å; N491-L494 HydrophobicContact CB-CB 4.02Å; N491-L494 PolarHBondContact O-N 2.96Å; N491-L494 PolarHBondContact OD1-N 2.91Å; N491-Y495 PolarHBondContact N-OH 3.31Å; N491-Y495 WeakPolarHBondContact O-CD1 3.33Å; N491-Y495 VanDerWaalsContact O-CD2 3.29Å; N491-Y495 WeakPolarHBondContact O-CD2 3.42Å; N491-Y495 VanDerWaalsContact O-CG 3.24Å; N491-Y495 PolarHBondContact O-N 2.86Å; N491-Y495 VanDerWaalsContact O-N 3.15Å
492I92.6Very high93.8Very high37 Ų3743.3 Ų43.319%0.1920%0.2CC..Hα-helixtrans-62.8-34.4-177.7-60.1176.7000111.6A404 T408 L442 Y495 I496A404-I492 HydrophobicContact CB-CG2 4.41Å; T408-I492 HydrophobicContact CG2-CB 4.28Å; T408-I492 HydrophobicContact CG2-CG2 3.61Å; L442-I492 HydrophobicContact CD1-CD1 4Å; L442-I492 HydrophobicContact CD1-CG1 3.64Å; I492-Y495 PolarHBondContact O-N 3.23Å; I492-I496 HydrophobicContact CG2-CD1 3.9Å; I492-I496 HydrophobicContact CG2-CG1 4.35Å; I492-I496 VanDerWaalsContact O-CG1 3.3Å; I492-I496 WeakPolarHBondContact O-CG1 3.26Å; I492-I496 PolarHBondContact O-N 2.91Å
493E94.5Very high94Very high137 Ų13745.1 Ų45.164%0.6421%0.212SC*.Hα-helixtrans-63.4-45.4178.5-65.8171.4174.700111N491 Y495 I496 E497N491-E493 VanDerWaalsContact C-N 3.26Å; N491-E493 PolarHBondContact O-N 2.91Å; N491-E493 PolarHBondContact OD1-N 3.2Å; E493-Y495 VanDerWaalsContact C-N 3.34Å; E493-Y495 PolarHBondContact O-N 3.06Å; E493-I496 WeakPolarHBondContact O-CB 3.08Å; E493-I496 PolarHBondContact O-N 3.49Å; E493-E497 WeakPolarHBondContact O-CG 3.42Å; E493-E497 PolarHBondContact O-N 3.42Å
494L95.1Very high94.2Very high15 Ų1545.5 Ų45.58%0.07921%0.213CC..Hα-helixtrans-60.9-41.5174.4179.260.6000111.8L316 H319 P324 N491 I496 E497 L498L316-L494 HydrophobicContact CD2-CD1 4.41Å; H319-L494 HydrophobicContact CB-CD2 4.13Å; P324-L494 HydrophobicContact CB-CD2 4.18Å; P324-L494 HydrophobicContact CB-CG 4.45Å; P324-L494 HydrophobicContact CG-CD2 4.02Å; N491-L494 HydrophobicContact CB-CB 4.02Å; N491-L494 PolarHBondContact O-N 2.96Å; N491-L494 PolarHBondContact OD1-N 2.91Å; L494-I496 VanDerWaalsContact C-N 3.33Å; L494-I496 PolarHBondContact O-N 2.83Å; L494-E497 PolarHBondContact O-N 3.01Å; L494-L498 HydrophobicContact CD1-CD1 4.13Å; L494-L498 HydrophobicContact CD1-CG 4.27Å; L494-L498 HydrophobicContact CG-CD1 4.01Å; L494-L498 VanDerWaalsContact O-CG 3.26Å; L494-L498 WeakPolarHBondContact O-CG 3.48Å; L494-L498 PolarHBondContact O-N 2.89Å
495Y95.1Very high94.5Very high0 Ų048.2 Ų48.20%023%0.23CC..Hα-helixtrans-63.7-39.9177-51.8-29.3000111.9S322 P324 V327 F438 L442 N491 I492 E493 L498 L499S322-Y495 PolarHBondContact O-OH 3.36Å; P324-Y495 VanDerWaalsContact CA-CE1 3.48Å; P324-Y495 HydrophobicContact CB-CD1 3.76Å; P324-Y495 HydrophobicContact CB-CE1 3.67Å; V327-Y495 HydrophobicContact CG1-CE2 4.43Å; F438-Y495 AromaticContact CE1-CD2 3.42Å; F438-Y495 HydrophobicContact CE1-CD2 3.42Å; F438-Y495 VanDerWaalsContact CE1-CD2 3.42Å; F438-Y495 HydrophobicContact CE1-CE2 4.06Å; F438-Y495 HydrophobicContact CE1-CG 4.24Å; F438-Y495 AromaticContact CZ-CD2 3.79Å; F438-Y495 HydrophobicContact CZ-CD2 3.79Å; F438-Y495 HydrophobicContact CZ-CG 4.17Å; L442-Y495 HydrophobicContact CD1-CD2 4.43Å; L442-Y495 HydrophobicContact CD1-CE2 3.92Å; L442-Y495 HydrophobicContact CD2-CE2 3.77Å; N491-Y495 PolarHBondContact N-OH 3.31Å; N491-Y495 WeakPolarHBondContact O-CD1 3.33Å; N491-Y495 VanDerWaalsContact O-CD2 3.29Å; N491-Y495 WeakPolarHBondContact O-CD2 3.42Å; N491-Y495 VanDerWaalsContact O-CG 3.24Å; N491-Y495 PolarHBondContact O-N 2.86Å; N491-Y495 VanDerWaalsContact O-N 3.15Å; I492-Y495 PolarHBondContact O-N 3.23Å; E493-Y495 VanDerWaalsContact C-N 3.34Å; E493-Y495 PolarHBondContact O-N 3.06Å; Y495-L498 PolarHBondContact O-N 2.82Å; Y495-L499 WeakPolarHBondContact O-CB 3.42Å; Y495-L499 VanDerWaalsContact O-CG 3.28Å; Y495-L499 WeakPolarHBondContact O-CG 3.35Å; Y495-L499 PolarHBondContact O-N 3.16Å
496I96.8Very high94.8Very high9 Ų950.8 Ų50.85%0.04624%0.239CC..Hα-helixtrans-62.6-45.1174.3-70.3163.4000110.7L401 A404 L405 T408 I492 E493 L494 L498 L499 R500L401-I496 HydrophobicContact CD1-CG2 4.08Å; A404-I496 HydrophobicContact CB-CD1 4.28Å; A404-I496 HydrophobicContact CB-CG1 3.66Å; L405-I496 HydrophobicContact CD2-CD1 4.12Å; L405-I496 HydrophobicContact CD2-CG1 4.43Å; L405-I496 HydrophobicContact CD2-CG2 3.8Å; L405-I496 HydrophobicContact CG-CG2 4.47Å; T408-I496 HydrophobicContact CG2-CD1 3.81Å; I492-I496 HydrophobicContact CG2-CD1 3.9Å; I492-I496 HydrophobicContact CG2-CG1 4.35Å; I492-I496 VanDerWaalsContact O-CG1 3.3Å; I492-I496 WeakPolarHBondContact O-CG1 3.26Å; I492-I496 PolarHBondContact O-N 2.91Å; E493-I496 WeakPolarHBondContact O-CB 3.08Å; E493-I496 PolarHBondContact O-N 3.49Å; L494-I496 VanDerWaalsContact C-N 3.33Å; L494-I496 PolarHBondContact O-N 2.83Å; I496-L498 VanDerWaalsContact C-N 3.32Å; I496-L498 PolarHBondContact O-N 3.02Å; I496-L499 PolarHBondContact O-N 2.99Å; I496-R500 VanDerWaalsContact O-CG 3.29Å; I496-R500 WeakPolarHBondContact O-CG 3.13Å; I496-R500 PolarHBondContact O-N 3.45Å
497E96.6Very high94.9Very high112 Ų11249.7 Ų49.752%0.52323%0.234SC..Hα-helixtrans-57.3-46.4176.9-73.9176.7179.100111.3E493 L494 R500 L501E493-E497 WeakPolarHBondContact O-CG 3.42Å; E493-E497 PolarHBondContact O-N 3.42Å; L494-E497 PolarHBondContact O-N 3.01Å; E497-R500 WeakPolarHBondContact O-CB 3.46Å; E497-R500 PolarHBondContact O-N 3.18Å; E497-L501 WeakPolarHBondContact O-CG 3.5Å; E497-L501 PolarHBondContact O-N 2.78Å
498L96.7Very high95.1Very high4 Ų449.6 Ų49.62%0.02123%0.233CC..Hα-helixtrans-68-44.4-179.9-66.1167.6000112.6L313 L316 P324 M325 L328 L494 Y495 I496 R500 L501 M502L313-L498 HydrophobicContact CD1-CD2 4.35Å; L316-L498 HydrophobicContact CD1-CD1 3.92Å; L316-L498 HydrophobicContact CD1-CD2 3.87Å; L316-L498 HydrophobicContact CD2-CD1 4.32Å; L316-L498 HydrophobicContact CD2-CD2 4.2Å; L316-L498 HydrophobicContact CG-CD2 4.5Å; P324-L498 HydrophobicContact CB-CD1 3.54Å; P324-L498 HydrophobicContact CG-CD1 4.18Å; M325-L498 HydrophobicContact CE-CD1 3.66Å; L328-L498 HydrophobicContact CD1-CB 4.07Å; L494-L498 HydrophobicContact CD1-CD1 4.13Å; L494-L498 HydrophobicContact CD1-CG 4.27Å; L494-L498 HydrophobicContact CG-CD1 4.01Å; L494-L498 VanDerWaalsContact O-CG 3.26Å; L494-L498 WeakPolarHBondContact O-CG 3.48Å; L494-L498 PolarHBondContact O-N 2.89Å; Y495-L498 PolarHBondContact O-N 2.82Å; I496-L498 VanDerWaalsContact C-N 3.32Å; I496-L498 PolarHBondContact O-N 3.02Å; L498-R500 PolarHBondContact O-N 2.77Å; L498-L501 WeakPolarHBondContact O-CA 3.4Å; L498-L501 WeakPolarHBondContact O-CB 3.37Å; L498-L501 PolarHBondContact O-N 3.5Å; L498-M502 WeakPolarHBondContact O-CG 3.48Å; L498-M502 PolarHBondContact O-N 3.03Å
499L97Very high95.3Very high2 Ų247.5 Ų47.51%0.0122%0.224CC..Hα-helixtrans-60.3-30.9175.5-74.9167.7000112.2L328 I397 L400 L401 F438 Y495 I496 L501 M502L328-L499 HydrophobicContact CD1-CG 4.41Å; L328-L499 HydrophobicContact CD2-CD1 4.15Å; L328-L499 HydrophobicContact CD2-CD2 3.95Å; L328-L499 HydrophobicContact CD2-CG 3.99Å; I397-L499 HydrophobicContact CG2-CD2 4Å; L400-L499 HydrophobicContact CB-CD1 4.03Å; L400-L499 HydrophobicContact CB-CD2 4.03Å; L400-L499 HydrophobicContact CD1-CD2 4.27Å; L401-L499 HydrophobicContact CB-CB 4.25Å; L401-L499 HydrophobicContact CD1-CB 4.04Å; F438-L499 HydrophobicContact CE2-CD1 4.26Å; Y495-L499 WeakPolarHBondContact O-CB 3.42Å; Y495-L499 VanDerWaalsContact O-CG 3.28Å; Y495-L499 WeakPolarHBondContact O-CG 3.35Å; Y495-L499 PolarHBondContact O-N 3.16Å; I496-L499 PolarHBondContact O-N 2.99Å; L499-L501 VanDerWaalsContact C-N 3.26Å; L499-L501 PolarHBondContact O-N 3.48Å; L499-M502 PolarHBondContact O-N 3.17Å
500R97.1Very high95.4Very high140 Ų14041.5 Ų41.553%0.52820%0.198SC..Hα-helixtrans-69.7-19.6172.7-74.6171.3174.8161.40.6113.7L401 I496 E497 L498 T503L401-R500 HydrophobicContact CD1-CG 4.07Å; L401-R500 HydrophobicContact CD2-CG 4.31Å; I496-R500 VanDerWaalsContact O-CG 3.29Å; I496-R500 WeakPolarHBondContact O-CG 3.13Å; I496-R500 PolarHBondContact O-N 3.45Å; E497-R500 WeakPolarHBondContact O-CB 3.46Å; E497-R500 PolarHBondContact O-N 3.18Å; L498-R500 PolarHBondContact O-N 2.77Å; R500-T503 WeakPolarHBondContact O-CG2 3.27Å
501L95.9Very high95.6Very high39 Ų3939.7 Ų39.720%0.20419%0.185CC..Hα-helixtrans-89.9-21.1175-53.1176.1000112.2L313 P314 E497 L498 L499 T503 R506L313-L501 HydrophobicContact CD2-CB 3.87Å; L313-L501 HydrophobicContact CD2-CD1 4.3Å; P314-L501 VanDerWaalsContact CD-CD1 3.49Å; P314-L501 HydrophobicContact CG-CD1 3.92Å; E497-L501 WeakPolarHBondContact O-CG 3.5Å; E497-L501 PolarHBondContact O-N 2.78Å; L498-L501 WeakPolarHBondContact O-CA 3.4Å; L498-L501 WeakPolarHBondContact O-CB 3.37Å; L498-L501 PolarHBondContact O-N 3.5Å; L499-L501 VanDerWaalsContact C-N 3.26Å; L499-L501 PolarHBondContact O-N 3.48Å; L501-T503 PolarHBondContact O-N 3.42Å; L501-R506 WeakPolarHBondContact O-CD 3.45Å
502M95.9Very high95.6Very high3 Ų337 Ų372%0.01517%0.17CC..  trans-82.454.5-178.9-64.7-179.273.100112.6W311 L313 L328 I332 F372 I397 L498 L499W311-M502 HydrophobicContact CD2-CE 4.41Å; W311-M502 HydrophobicContact CE3-CE 4.16Å; W311-M502 HydrophobicContact CG-CG 4.44Å; W311-M502 HydrophobicContact CZ3-CE 4.26Å; L313-M502 HydrophobicContact CD2-CG 4.23Å; L328-M502 HydrophobicContact CD1-SD 4.24Å; I332-M502 HydrophobicContact CD1-CE 3.63Å; I332-M502 HydrophobicContact CD1-SD 4.44Å; F372-M502 HydrophobicContact CD1-CE 3.42Å; F372-M502 VanDerWaalsContact CD1-CE 3.42Å; F372-M502 HydrophobicContact CE1-CE 3.46Å; F372-M502 VanDerWaalsContact CE1-CE 3.46Å; F372-M502 HydrophobicContact CG-CE 4.02Å; F372-M502 HydrophobicContact CZ-CE 4.1Å; I397-M502 HydrophobicContact CD1-CB 4.4Å; I397-M502 HydrophobicContact CD1-CE 4.32Å; I397-M502 HydrophobicContact CG2-CB 4.16Å; L498-M502 WeakPolarHBondContact O-CG 3.48Å; L498-M502 PolarHBondContact O-N 3.03Å; L499-M502 PolarHBondContact O-N 3.17Å
503T95.9Very high95.4Very high38 Ų3835.3 Ų35.323%0.23316%0.162CC..  trans-100.1159.9-176.656.60000112.3W311 R500 L501 N505 R506 A507W311-T503 PolarHBondContact NE1-O 2.9Å; R500-T503 WeakPolarHBondContact O-CG2 3.27Å; L501-T503 PolarHBondContact O-N 3.42Å; T503-N505 VanDerWaalsContact C-N 3.31Å; T503-N505 WeakPolarHBondContact CB-OD1 3.18Å; T503-N505 PolarHBondContact O-N 3.09Å; T503-N505 PolarHBondContact OG1-OD1 2.86Å; T503-R506 PolarHBondContact O-N 2.93Å; T503-R506 VanDerWaalsContact O-N 3.09Å; T503-R506 WeakPolarHBondContact OG1-CD 3.5Å; T503-R506 WeakPolarHBondContact OG1-CG 3.48Å; T503-A507 PolarHBondContact O-N 3.18Å
504P96.2Very high94.8Very high11 Ų1129.4 Ų29.47%0.07114%0.136CC..G310 helixtrans-58-38.9179.2-24.232.2000114F394 R506 A507 M547 W550F394-P504 HydrophobicContact CB-CG 4.19Å; F394-P504 HydrophobicContact CD1-CB 4.39Å; F394-P504 HydrophobicContact CD1-CG 3.89Å; F394-P504 HydrophobicContact CD2-CB 4.06Å; F394-P504 HydrophobicContact CD2-CG 3.79Å; F394-P504 HydrophobicContact CE1-CB 4.15Å; F394-P504 HydrophobicContact CE1-CG 4.15Å; F394-P504 HydrophobicContact CE2-CB 3.81Å; F394-P504 HydrophobicContact CE2-CG 4.06Å; F394-P504 HydrophobicContact CG-CB 4.36Å; F394-P504 HydrophobicContact CG-CG 3.71Å; F394-P504 HydrophobicContact CZ-CB 3.87Å; F394-P504 HydrophobicContact CZ-CG 4.25Å; P504-R506 PolarHBondContact O-N 2.88Å; P504-A507 PolarHBondContact O-N 3.03Å; P504-M547 HydrophobicContact CB-SD 3.78Å; P504-W550 HydrophobicContact CB-CB 4.22Å; P504-W550 HydrophobicContact CB-CE3 3.99Å; P504-W550 HydrophobicContact CG-CB 3.91Å
505N94.1Very high94Very high83 Ų8331 Ų3144%0.44415%0.147SC..G310 helixtrans-74.8-3.6179.266.8-33.5000114.5T503 M547T503-N505 VanDerWaalsContact C-N 3.31Å; T503-N505 WeakPolarHBondContact CB-OD1 3.18Å; T503-N505 PolarHBondContact O-N 3.09Å; T503-N505 PolarHBondContact OG1-OD1 2.86Å; N505-M547 HydrophobicContact CB-SD 4.21Å
506R94.4Very high93.3Very high126 Ų12632 Ų3248%0.47515%0.15SC..G310 helixtrans-112.20.6174.6-69.7178.1171.8-1292.8112.4F292 L501 T503 P504F292-R506 VanDerWaalsContact CD1-O 3.22Å; F292-R506 WeakPolarHBondContact CD1-O 3.42Å; L501-R506 WeakPolarHBondContact O-CD 3.45Å; T503-R506 PolarHBondContact O-N 2.93Å; T503-R506 VanDerWaalsContact O-N 3.09Å; T503-R506 WeakPolarHBondContact OG1-CD 3.5Å; T503-R506 WeakPolarHBondContact OG1-CG 3.48Å; P504-R506 PolarHBondContact O-N 2.88Å
507A96Very high92.2Very high0 Ų032 Ų320%015%0.153CC..EExtended strand (participates in β ladder)trans-88.5143179.300000111.2A293 I309 V310 W311 F394 T503 P504A293-A507 PolarHBondContact N-O 2.9Å; I309-A507 HydrophobicContact CG2-CB 3.93Å; V310-A507 WeakPolarHBondContact O-CA 3.23Å; W311-A507 HydrophobicContact CZ2-CB 4.32Å; F394-A507 HydrophobicContact CE1-CB 4.34Å; F394-A507 HydrophobicContact CZ-CB 4.28Å; T503-A507 PolarHBondContact O-N 3.18Å; P504-A507 PolarHBondContact O-N 3.03Å
508A96.5Very high91.1Very high1 Ų129.1 Ų29.11%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-103.912616000000108.4L201 F292 Y296 I309 V310 F510L201-A508 HydrophobicContact CD1-CB 4.43Å; F292-A508 HydrophobicContact CD1-CB 3.8Å; F292-A508 HydrophobicContact CE1-CB 3.92Å; Y296-A508 HydrophobicContact CE2-CB 4.36Å; I309-A508 WeakPolarHBondContact CA-O 3.38Å; V310-A508 PolarHBondContact N-O 3Å; V310-A508 PolarHBondContact O-N 3.09Å; A508-F510 HydrophobicContact CB-CE2 3.91Å; A508-F510 HydrophobicContact CB-CZ 4.43Å
509I96.9Very high90.1Very high1 Ų133.1 Ų33.11%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-108.3114.6-175.8-56174.1000108.4K294 L295 Y296 L307 I309 I542 W550K294-I509 PolarHBondContact O-N 3.09Å; K294-I509 VanDerWaalsContact O-N 3.08Å; L295-I509 CarbonylContact C-O 3.36Å; L295-I509 WeakPolarHBondContact CA-O 3.42Å; L295-I509 HydrophobicContact CD1-CB 4.16Å; L295-I509 HydrophobicContact CD1-CG2 3.72Å; Y296-I509 PolarHBondContact N-O 3.28Å; L307-I509 HydrophobicContact CD1-CG2 3.55Å; L307-I509 HydrophobicContact CG-CG2 4.28Å; I309-I509 HydrophobicContact CG1-CG2 4.46Å; I509-I542 HydrophobicContact CD1-CD1 3.71Å; I509-I542 HydrophobicContact CG1-CD1 4.49Å; I509-W550 HydrophobicContact CD1-CH2 3.98Å; I509-W550 HydrophobicContact CD1-CZ3 4.17Å
510F96.1Very high89Confident1 Ų133.7 Ų33.70%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-103120.3174.8-59.1-95.7000109.7L197 I198 L201 Y296 V298 L307 R308 V310 A508 L512L197-F510 HydrophobicContact CD2-CD1 3.83Å; L197-F510 HydrophobicContact CD2-CE1 3.77Å; L197-F510 HydrophobicContact CG-CD1 4.48Å; L197-F510 HydrophobicContact CG-CE1 3.92Å; I198-F510 HydrophobicContact CD1-CE2 4.5Å; I198-F510 HydrophobicContact CG1-CE1 4.42Å; I198-F510 HydrophobicContact CG1-CE2 3.84Å; I198-F510 HydrophobicContact CG1-CZ 3.68Å; L201-F510 HydrophobicContact CD1-CE1 4.21Å; L201-F510 HydrophobicContact CD1-CE2 4.47Å; L201-F510 HydrophobicContact CD1-CZ 3.55Å; L201-F510 HydrophobicContact CG-CZ 4.44Å; Y296-F510 HydrophobicContact CD1-CE1 4.38Å; Y296-F510 HydrophobicContact CD2-CD1 4.28Å; Y296-F510 HydrophobicContact CD2-CE1 4.05Å; Y296-F510 HydrophobicContact CD2-CZ 4.34Å; Y296-F510 AromaticContact CG-CD1 3.98Å; Y296-F510 HydrophobicContact CG-CD1 3.98Å; Y296-F510 AromaticContact CG-CE1 3.88Å; Y296-F510 HydrophobicContact CG-CE1 3.88Å; Y296-F510 CarbonylContact O-C 3.25Å; Y296-F510 WeakPolarHBondContact O-CA 3.42Å; V298-F510 HydrophobicContact CG2-CB 4.48Å; V298-F510 HydrophobicContact CG2-CD1 4.07Å; L307-F510 CarbonylContact C-O 3.57Å; L307-F510 WeakPolarHBondContact CA-O 3.46Å; R308-F510 HydrophobicContact CB-CB 4.23Å; R308-F510 PolarHBondContact N-O 3.02Å; R308-F510 PolarHBondContact O-N 3.47Å; V310-F510 HydrophobicContact CB-CE2 4.39Å; V310-F510 HydrophobicContact CG2-CD2 4.18Å; V310-F510 HydrophobicContact CG2-CE2 3.98Å; A508-F510 HydrophobicContact CB-CE2 3.91Å; A508-F510 HydrophobicContact CB-CZ 4.43Å; F510-L512 HydrophobicContact CB-CD1 4.26Å
511F95.5Very high87.4Confident15 Ų1530 Ų307%0.06616%0.164CC..EExtended strand (participates in β ladder)trans-110.4106.1176.4174.4-138.9000109.3L295 Y296 K297 V298 E305 L307 L378 R383 I386 S513L295-F511 HydrophobicContact CD1-CB 3.95Å; Y296-F511 PolarHBondContact O-N 3.24Å; K297-F511 CarbonylContact C-O 3.48Å; K297-F511 WeakPolarHBondContact CA-O 3.34Å; K297-F511 HydrophobicContact CG-CD1 4.34Å; V298-F511 PolarHBondContact N-O 3.02Å; E305-F511 WeakPolarHBondContact OE2-CE2 3.3Å; L307-F511 HydrophobicContact CD1-CB 4.1Å; L378-F511 HydrophobicContact CD1-CD2 4.11Å; L378-F511 HydrophobicContact CD1-CE2 3.85Å; R383-F511 HydrophobicContact CG-CE2 4.05Å; R383-F511 HydrophobicContact CG-CZ 3.56Å; I386-F511 HydrophobicContact CD1-CD1 4.09Å; I386-F511 HydrophobicContact CD1-CG 4.32Å; I386-F511 HydrophobicContact CG2-CD2 4.13Å; I386-F511 HydrophobicContact CG2-CE2 4.08Å; I386-F511 HydrophobicContact CG2-CG 4.43Å; I386-F511 HydrophobicContact CG2-CZ 4.31Å; F511-S513 VanDerWaalsContact CZ-CB 3.42Å
512L92.8Very high86Confident3 Ų336.2 Ų36.22%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-88.8117.3176.9-71.874.7000107.9L194 V298 P300 E305 K306 F510L194-L512 HydrophobicContact CD1-CD1 3.89Å; L194-L512 HydrophobicContact CD1-CD2 3.67Å; L194-L512 HydrophobicContact CD1-CG 4.36Å; L194-L512 HydrophobicContact CD2-CD1 3.86Å; L194-L512 HydrophobicContact CD2-CD2 4.17Å; L194-L512 HydrophobicContact CD2-CG 4.25Å; L194-L512 HydrophobicContact CG-CD1 4.42Å; L194-L512 HydrophobicContact CG-CD2 4.07Å; V298-L512 HydrophobicContact CB-CD1 4.48Å; V298-L512 HydrophobicContact CB-CG 4.11Å; V298-L512 HydrophobicContact CG1-CG 4.36Å; P300-L512 HydrophobicContact CB-CB 4.29Å; P300-L512 HydrophobicContact CB-CD2 4.44Å; E305-L512 WeakPolarHBondContact CA-O 3.49Å; K306-L512 HydrophobicContact CB-CB 4.26Å; K306-L512 PolarHBondContact N-O 3.01Å; K306-L512 PolarHBondContact O-N 3.2Å; F510-L512 HydrophobicContact CB-CD1 4.26Å
513S88.7Confident84.8Confident2 Ų239.2 Ų39.21%0.01421%0.214CC..  trans-145118.5-174.4-178.40000113.1V298 P300 E305 F511 T515 F516 A517V298-S513 PolarHBondContact O-N 3.42Å; P300-S513 WeakPolarHBondContact CD-O 3.46Å; E305-S513 VanDerWaalsContact CD-OG 3.25Å; E305-S513 PolarHBondContact OE1-OG 2.89Å; E305-S513 VanDerWaalsContact OE1-OG 3.07Å; E305-S513 WeakPolarHBondContact OE2-CA 3.47Å; E305-S513 WeakPolarHBondContact OE2-CB 3.16Å; E305-S513 PolarHBondContact OE2-OG 2.9Å; F511-S513 VanDerWaalsContact CZ-CB 3.42Å; S513-T515 VanDerWaalsContact C-N 3.26Å; S513-T515 PolarHBondContact OG-N 2.97Å; S513-F516 PolarHBondContact O-N 3.2Å; S513-F516 PolarHBondContact OG-N 3.2Å; S513-F516 VanDerWaalsContact OG-N 3.11Å; S513-A517 PolarHBondContact O-N 3.49Å; S513-A517 VanDerWaalsContact O-N 3.09Å
514S81.1Confident83.7Confident13 Ų1343.1 Ų43.19%0.09123%0.229CC..Hα-helixtrans-69.1-28.4171.251.60000111.7A517 S518S514-A517 PolarHBondContact O-N 2.83Å; S514-S518 PolarHBondContact O-N 3.46Å; S514-S518 PolarHBondContact O-OG 3.17Å
515T78.8Confident82.8Confident49 Ų4947.6 Ų47.630%0.30126%0.261SS..Hα-helixtrans-65.9-46.3175.2-49.30000110.7E305 S513 S518 S519E305-T515 WeakPolarHBondContact OE1-CB 3.35Å; E305-T515 PolarHBondContact OE1-N 3.32Å; E305-T515 PolarHBondContact OE1-OG1 2.93Å; S513-T515 VanDerWaalsContact C-N 3.26Å; S513-T515 PolarHBondContact OG-N 2.97Å; T515-S518 PolarHBondContact O-N 3.45Å; T515-S519 PolarHBondContact O-N 2.99Å
516F79.6Confident82.1Confident19 Ų1951 Ų518%0.08327%0.268CS..Hα-helixtrans-59.7-47.8172.1171.3-110.4000111.6K297 Y299 S513 S518 S519 V520 Q538K297-F516 HydrophobicContact CB-CD1 3.65Å; K297-F516 HydrophobicContact CB-CD2 4.32Å; K297-F516 HydrophobicContact CB-CE1 3.39Å; K297-F516 HydrophobicContact CB-CE2 4.11Å; K297-F516 HydrophobicContact CB-CG 4.1Å; K297-F516 HydrophobicContact CB-CZ 3.66Å; K297-F516 HydrophobicContact CD-CD2 3.75Å; K297-F516 HydrophobicContact CD-CE1 4.42Å; K297-F516 HydrophobicContact CD-CE2 3.59Å; K297-F516 HydrophobicContact CD-CG 4.25Å; K297-F516 HydrophobicContact CD-CZ 3.96Å; K297-F516 HydrophobicContact CG-CZ 4.47Å; Y299-F516 HydrophobicContact CD2-CD1 4.14Å; Y299-F516 AromaticContact CD2-CE1 3.9Å; Y299-F516 HydrophobicContact CD2-CE1 3.9Å; Y299-F516 AromaticContact CE2-CD1 3.89Å; Y299-F516 HydrophobicContact CE2-CD1 3.89Å; Y299-F516 AromaticContact CE2-CE1 3.47Å; Y299-F516 HydrophobicContact CE2-CE1 3.47Å; Y299-F516 VanDerWaalsContact CE2-CE1 3.47Å; Y299-F516 HydrophobicContact CE2-CZ 4.29Å; S513-F516 PolarHBondContact O-N 3.2Å; S513-F516 PolarHBondContact OG-N 3.2Å; S513-F516 VanDerWaalsContact OG-N 3.11Å; F516-S518 PolarHBondContact O-N 3.41Å; F516-S519 PolarHBondContact O-N 3Å; F516-S519 PolarHBondContact O-OG 3.43Å; F516-V520 HydrophobicContact CD2-CG2 4.27Å; F516-V520 HydrophobicContact CE2-CG2 3.71Å; F516-V520 HydrophobicContact CZ-CG2 4.1Å; F516-V520 PolarHBondContact O-N 2.95Å; F516-Q538 HydrophobicContact CE1-CB 4.37Å; F516-Q538 HydrophobicContact CZ-CB 3.75Å; F516-Q538 VanDerWaalsContact CZ-OE1 3.23Å
517A75.4Confident81.7Confident11 Ų1146.2 Ų46.29%0.09125%0.251CS..Hα-helixtrans-56.2-35.917900000112.7Y299 S513 S514 S519 K521Y299-A517 HydrophobicContact CD1-CB 3.48Å; Y299-A517 VanDerWaalsContact CD1-CB 3.48Å; Y299-A517 HydrophobicContact CD2-CB 4.25Å; Y299-A517 HydrophobicContact CE1-CB 3.64Å; Y299-A517 HydrophobicContact CE2-CB 4.36Å; Y299-A517 HydrophobicContact CG-CB 3.81Å; S513-A517 PolarHBondContact O-N 3.49Å; S513-A517 VanDerWaalsContact O-N 3.09Å; S514-A517 PolarHBondContact O-N 2.83Å; A517-S519 VanDerWaalsContact C-N 3.34Å; A517-K521 VanDerWaalsContact O-CG 3.28Å; A517-K521 WeakPolarHBondContact O-CG 3.29Å
518S73.1Confident81.5Confident50 Ų5049.6 Ų49.635%0.3527%0.267SS..Hα-helixtrans-71.8-25.4177-57.20000113.6S514 T515 F516 K521 T1017S514-S518 PolarHBondContact O-N 3.46Å; S514-S518 PolarHBondContact O-OG 3.17Å; T515-S518 PolarHBondContact O-N 3.45Å; F516-S518 PolarHBondContact O-N 3.41Å; S518-K521 WeakPolarHBondContact O-CG 3.28Å; S518-T1017 VanDerWaalsContact OG-CG2 3.26Å; S518-T1017 WeakPolarHBondContact OG-CG2 3.45Å
519S74.8Confident81.3Confident89 Ų8953.4 Ų53.462%0.62229%0.285SS*.Hα-helixtrans-84.3-19.1-175.971.30000114.7T515 F516 A517T515-S519 PolarHBondContact O-N 2.99Å; F516-S519 PolarHBondContact O-N 3Å; F516-S519 PolarHBondContact O-OG 3.43Å; A517-S519 VanDerWaalsContact C-N 3.34Å
520V74.9Confident81.1Confident14 Ų1453.5 Ų53.59%0.08529%0.285CS..SBendtrans-111.16.2-174.31770000112.1Y299 F516 D522 D523 L527Y299-V520 WeakPolarHBondContact OH-CB 3.33Å; Y299-V520 WeakPolarHBondContact OH-CG1 3.34Å; F516-V520 HydrophobicContact CD2-CG2 4.27Å; F516-V520 HydrophobicContact CE2-CG2 3.71Å; F516-V520 HydrophobicContact CZ-CG2 4.1Å; F516-V520 PolarHBondContact O-N 2.95Å; V520-D522 PolarHBondContact O-N 3.03Å; V520-D523 PolarHBondContact O-N 2.93Å; V520-L527 HydrophobicContact CG1-CD1 4.47Å; V520-L527 HydrophobicContact CG1-CD2 3.94Å; V520-L527 HydrophobicContact CG1-CG 4.2Å
521K62.6Low80.9Confident61 Ų6157 Ų5727%0.26531%0.308SS..THydrogen-bonded Turntrans-53-30.2-175.4-61.4-17593.2-175.20115.4A517 S518 T1015 T1017A517-K521 VanDerWaalsContact O-CG 3.28Å; A517-K521 WeakPolarHBondContact O-CG 3.29Å; S518-K521 WeakPolarHBondContact O-CG 3.28Å; K521-T1015 WeakPolarHBondContact CE-O 3.46Å; K521-T1015 WeakPolarHBondContact CE-OG1 3.46Å; K521-T1015 PolarHBondContact NZ-O 3.03Å; K521-T1017 HydrophobicContact CD-CG2 3.58Å; K521-T1017 HydrophobicContact CG-CG2 4.43Å; K521-T1017 VanDerWaalsContact NZ-CG2 3.35Å; K521-T1017 PolarHBondContact NZ-OG1 3.47Å
522D66Low80.7Confident171 Ų17158.2 Ų58.291%0.91431%0.312SS*.THydrogen-bonded Turntrans-94-0.4-175-59.9-35.2000113.4V520V520-D522 PolarHBondContact O-N 3.03Å
523D72.5Confident80.6Confident66 Ų6658.1 Ų58.135%0.35331%0.311SS..  trans-140.169.3-177.9-168.85.2000112.3V520 S525 R526V520-D523 PolarHBondContact O-N 2.93Å; D523-S525 PolarHBondContact O-N 3.19Å; D523-S525 VanDerWaalsContact O-N 3.11Å; D523-S525 WeakPolarHBondContact OD1-CB 2.88Å; D523-S525 PolarHBondContact OD1-N 2.78Å; D523-S525 PolarHBondContact OD1-OG 3.18Å; D523-R526 PolarHBondContact O-N 3.48Å; D523-R526 VanDerWaalsContact OD2-CD 3.26Å; D523-R526 WeakPolarHBondContact OD2-CD 2.87Å; D523-R526 WeakPolarHBondContact OD2-CG 3.43Å; D523-R526 IonicContact OD2-NE 2.85Å
524E71.7Confident80.6Confident119 Ų11961.4 Ų61.456%0.55633%0.329SS*.G310 helixtrans-59.3-19.4176.1-70.3-169164.900113.5R526 L527E524-R526 PolarHBondContact O-N 2.75Å; E524-L527 PolarHBondContact O-N 3.2Å
525S77.1Confident81.1Confident106 Ų10660.8 Ų60.874%0.74132%0.324SS*.G310 helixtrans-62.2-15.8-179.479.90000113.7D523D523-S525 PolarHBondContact O-N 3.19Å; D523-S525 VanDerWaalsContact O-N 3.11Å; D523-S525 WeakPolarHBondContact OD1-CB 2.88Å; D523-S525 PolarHBondContact OD1-N 2.78Å; D523-S525 PolarHBondContact OD1-OG 3.18Å
526R80.2Confident81.6Confident155 Ų15559 Ų5959%0.58531%0.314SS*.G310 helixtrans-88.7-8.8177.7-64.8-178.1133.6-177.8-6.5114.3D523 E524D523-R526 PolarHBondContact O-N 3.48Å; D523-R526 VanDerWaalsContact OD2-CD 3.26Å; D523-R526 WeakPolarHBondContact OD2-CD 2.87Å; D523-R526 WeakPolarHBondContact OD2-CG 3.43Å; D523-R526 IonicContact OD2-NE 2.85Å; E524-R526 PolarHBondContact O-N 2.75Å
527L86.5Confident82.2Confident24 Ų2458.3 Ų58.313%0.12631%0.311CS..  trans-97.7135.1-173.5-58.2175.9000111Y299 V520 E524 A536Y299-L527 HydrophobicContact CD2-CD2 4.37Å; Y299-L527 HydrophobicContact CE1-CD1 4.17Å; Y299-L527 HydrophobicContact CE2-CD1 4.04Å; Y299-L527 HydrophobicContact CE2-CD2 3.49Å; Y299-L527 VanDerWaalsContact CE2-CD2 3.49Å; Y299-L527 HydrophobicContact CE2-CG 4.43Å; Y299-L527 WeakPolarHBondContact OH-CD1 3.41Å; V520-L527 HydrophobicContact CG1-CD1 4.47Å; V520-L527 HydrophobicContact CG1-CD2 3.94Å; V520-L527 HydrophobicContact CG1-CG 4.2Å; E524-L527 PolarHBondContact O-N 3.2Å; L527-A536 HydrophobicContact CD1-CB 4.31Å
528E91.4Very high83Confident72 Ų7259.5 Ų59.534%0.33632%0.315SS..EExtended strand (participates in β ladder)trans-95.3153.6164.3-69-179.4-130.700109.2A536 Y537 K539E528-A536 WeakPolarHBondContact O-CA 3.15Å; E528-Y537 HydrophobicContact CB-CD1 4.25Å; E528-Y537 HydrophobicContact CB-CD2 4.4Å; E528-Y537 HydrophobicContact CB-CE1 3.73Å; E528-Y537 HydrophobicContact CB-CE2 3.91Å; E528-Y537 PolarHBondContact N-O 3.45Å; E528-Y537 WeakPolarHBondContact O-CD1 3.46Å; E528-Y537 PolarHBondContact O-N 3.33Å; E528-Y537 PolarHBondContact OE2-OH 3.37Å; E528-K539 WeakPolarHBondContact OE1-CD 3.33Å; E528-K539 WeakPolarHBondContact OE1-CE 3.46Å; E528-K539 IonicContact OE1-NZ 2.77Å; E528-K539 PolarHBondContact OE1-NZ 3.07Å; E528-K539 IonicContact OE2-NZ 2.71Å; E528-K539 PolarHBondContact OE2-NZ 3.27Å
529H91.6Very high83.9Confident80 Ų8061.4 Ų61.437%0.3732%0.317SS..EExtended strand (participates in β ladder)trans-127.1127.8-176.6-71.8-103.4000111N534 V535H529-N534 PolarHBondContact ND1-OD1 3.41Å; H529-V535 WeakPolarHBondContact CA-O 3.46Å
530E93.2Very high84.8Confident3 Ų359.9 Ų59.91%0.01430%0.3CS..  trans-66.9130.8165.6-170.8-72124.900109L197 H200 W532 F533 N534 V535L197-E530 HydrophobicContact CD1-CB 4.29Å; H200-E530 HydrophobicContact CB-CG 4.02Å; E530-W532 PolarHBondContact O-N 2.95Å; E530-W532 PolarHBondContact OE1-N 2.9Å; E530-W532 PolarHBondContact OE2-N 2.93Å; E530-W532 VanDerWaalsContact OE2-N 3.15Å; E530-F533 WeakPolarHBondContact OE2-CA 3.3Å; E530-F533 WeakPolarHBondContact OE2-CB 2.9Å; E530-F533 PolarHBondContact OE2-N 3.27Å; E530-N534 WeakPolarHBondContact O-CA 3.25Å; E530-N534 PolarHBondContact O-N 3.35Å; E530-V535 HydrophobicContact CB-CB 3.85Å; E530-V535 HydrophobicContact CB-CG2 4.13Å; E530-V535 PolarHBondContact N-O 3.4Å
531P90.8Very high85.8Confident74 Ų7464.9 Ų64.948%0.48133%0.326SS..THydrogen-bonded Turntrans-65.5-25.2-165.422.1-35.1000117.3H200H200-P531 VanDerWaalsContact CE1-CD 3.47Å; H200-P531 WeakPolarHBondContact CE1-CD 3.37Å; H200-P531 WeakPolarHBondContact ND1-CD 3.39Å
532W92.1Very high87.3Confident42 Ų4262.6 Ų62.616%0.15932%0.317CS..THydrogen-bonded Turntrans-102.2-52.1-171.2-62107.3000113F183 F211 I222 E530 N534F183-W532 WeakPolarHBondContact CZ-O 3.42Å; F211-W532 HydrophobicContact CB-CD2 3.76Å; F211-W532 VanDerWaalsContact CB-CE2 3.41Å; F211-W532 HydrophobicContact CB-CE3 4.5Å; F211-W532 HydrophobicContact CB-CG 3.91Å; F211-W532 HydrophobicContact CB-CZ2 3.87Å; F211-W532 AromaticContact CD1-CD2 3.6Å; F211-W532 HydrophobicContact CD1-CD2 3.6Å; F211-W532 AromaticContact CD1-CE2 3.96Å; F211-W532 AromaticContact CD1-CE3 3.52Å; F211-W532 HydrophobicContact CD1-CE3 3.52Å; F211-W532 HydrophobicContact CD1-CG 4.13Å; F211-W532 HydrophobicContact CD1-CH2 4.14Å; F211-W532 HydrophobicContact CD1-CZ2 4.22Å; F211-W532 AromaticContact CD1-CZ3 3.81Å; F211-W532 HydrophobicContact CD1-CZ3 3.81Å; F211-W532 HydrophobicContact CD2-CB 3.75Å; F211-W532 AromaticContact CD2-CD1 3.97Å; F211-W532 HydrophobicContact CD2-CD2 4Å; F211-W532 AromaticContact CD2-CG 3.62Å; F211-W532 HydrophobicContact CD2-CG 3.62Å; F211-W532 HydrophobicContact CE1-CD2 4.17Å; F211-W532 AromaticContact CE1-CE3 3.77Å; F211-W532 HydrophobicContact CE1-CE3 3.77Å; F211-W532 HydrophobicContact CE1-CZ3 4.19Å; F211-W532 HydrophobicContact CE2-CB 3.87Å; F211-W532 HydrophobicContact CE2-CG 4.17Å; F211-W532 HydrophobicContact CG-CB 4.22Å; F211-W532 AromaticContact CG-CD1 3.88Å; F211-W532 AromaticContact CG-CD2 3.5Å; F211-W532 HydrophobicContact CG-CD2 3.5Å; F211-W532 AromaticContact CG-CE2 3.73Å; F211-W532 AromaticContact CG-CE3 3.95Å; F211-W532 HydrophobicContact CG-CE3 3.95Å; F211-W532 AromaticContact CG-CG 3.61Å; F211-W532 HydrophobicContact CG-CG 3.61Å; F211-W532 HydrophobicContact CG-CZ2 4.31Å; F211-W532 AromaticContact CG-NE1 3.96Å; F211-W532 HydrophobicContact CZ-CB 4.4Å; F211-W532 HydrophobicContact CZ-CE3 4.41Å; I222-W532 HydrophobicContact CD1-CH2 4.08Å; E530-W532 PolarHBondContact O-N 2.95Å; E530-W532 PolarHBondContact OE1-N 2.9Å; E530-W532 PolarHBondContact OE2-N 2.93Å; E530-W532 VanDerWaalsContact OE2-N 3.15Å; W532-N534 VanDerWaalsContact C-N 3.29Å
533F90.3Very high88.7Confident0 Ų057 Ų570%029%0.29CS..THydrogen-bonded Turntrans-86.6-2176.1-76.9-99.6000112.7F183 A186 Y187 R193 Y196 F211 E530 V535F183-F533 HydrophobicContact CD2-CE2 4.42Å; F183-F533 HydrophobicContact CD2-CZ 4.09Å; F183-F533 HydrophobicContact CE2-CD1 4.36Å; F183-F533 HydrophobicContact CE2-CD2 4.12Å; F183-F533 HydrophobicContact CE2-CE1 4.04Å; F183-F533 AromaticContact CE2-CE2 3.74Å; F183-F533 HydrophobicContact CE2-CE2 3.74Å; F183-F533 HydrophobicContact CE2-CG 4.4Å; F183-F533 AromaticContact CE2-CZ 3.71Å; F183-F533 HydrophobicContact CE2-CZ 3.71Å; A186-F533 HydrophobicContact CB-CE1 4.41Å; Y187-F533 HydrophobicContact CD2-CB 4.49Å; Y187-F533 HydrophobicContact CD2-CD1 4.07Å; Y187-F533 VanDerWaalsContact CE2-C 3.43Å; Y187-F533 HydrophobicContact CE2-CB 4.48Å; Y187-F533 WeakPolarHBondContact CE2-O 3.48Å; Y187-F533 HydrophobicContact CG-CD1 4.5Å; Y187-F533 VanDerWaalsContact CZ-O 3.32Å; Y187-F533 PolarHBondContact OH-O 3.17Å; R193-F533 HydrophobicContact CB-CD1 4.45Å; R193-F533 HydrophobicContact CG-CB 4.15Å; R193-F533 HydrophobicContact CG-CD1 3.63Å; R193-F533 HydrophobicContact CG-CE1 4.45Å; R193-F533 HydrophobicContact CG-CG 4.22Å; R193-F533 PolarHBondContact NH1-O 3.11Å; Y196-F533 HydrophobicContact CD1-CE2 4.49Å; Y196-F533 AromaticContact CD2-CD2 3.77Å; Y196-F533 HydrophobicContact CD2-CD2 3.77Å; Y196-F533 AromaticContact CD2-CE2 3.14Å; Y196-F533 HydrophobicContact CD2-CE2 3.14Å; Y196-F533 AromaticContact CD2-CZ 3.86Å; Y196-F533 HydrophobicContact CD2-CZ 3.86Å; Y196-F533 AromaticContact CE2-CE2 3.57Å; Y196-F533 HydrophobicContact CE2-CE2 3.57Å; Y196-F533 HydrophobicContact CE2-CZ 4.09Å; Y196-F533 AromaticContact CG-CD2 3.86Å; Y196-F533 HydrophobicContact CG-CD2 3.86Å; Y196-F533 AromaticContact CG-CE2 3.66Å; Y196-F533 HydrophobicContact CG-CE2 3.66Å; F211-F533 AromaticContact CE2-CE2 3.97Å; F211-F533 HydrophobicContact CE2-CE2 3.97Å; E530-F533 WeakPolarHBondContact OE2-CA 3.3Å; E530-F533 WeakPolarHBondContact OE2-CB 2.9Å; E530-F533 PolarHBondContact OE2-N 3.27Å; F533-V535 HydrophobicContact CB-CG2 3.66Å; F533-V535 PolarHBondContact O-N 3.36Å
534N89.6Confident89.8Confident71 Ų7161 Ų6138%0.3831%0.307SS..  trans5242.1-178.1-164.330.9000111.8H529 E530 W532 A536H529-N534 PolarHBondContact ND1-OD1 3.41Å; E530-N534 WeakPolarHBondContact O-CA 3.25Å; E530-N534 PolarHBondContact O-N 3.35Å; W532-N534 VanDerWaalsContact C-N 3.29Å; N534-A536 PolarHBondContact O-N 3.15Å; N534-A536 VanDerWaalsContact O-N 3.12Å
535V90.1Very high91Very high0 Ų060.8 Ų60.80%031%0.309CS..  trans-71.3109.6-179.2-172.30000108.2R193 L197 V298 H529 E530 F533 Y537R193-V535 HydrophobicContact CB-CG2 3.74Å; R193-V535 HydrophobicContact CG-CG2 4.21Å; L197-V535 HydrophobicContact CD2-CG1 4.24Å; V298-V535 HydrophobicContact CG1-CG1 3.62Å; H529-V535 WeakPolarHBondContact CA-O 3.46Å; E530-V535 HydrophobicContact CB-CB 3.85Å; E530-V535 HydrophobicContact CB-CG2 4.13Å; E530-V535 PolarHBondContact N-O 3.4Å; F533-V535 HydrophobicContact CB-CG2 3.66Å; F533-V535 PolarHBondContact O-N 3.36Å; V535-Y537 WeakPolarHBondContact O-CD1 3.39Å
536A90.3Very high91.9Very high11 Ų1157.9 Ų57.99%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-75.2129.5174.400000110.1Y299 L527 E528 N534Y299-A536 WeakPolarHBondContact CB-O 3.41Å; Y299-A536 HydrophobicContact CD1-CB 4.26Å; Y299-A536 HydrophobicContact CD2-CB 4.14Å; Y299-A536 HydrophobicContact CG-CB 3.91Å; Y299-A536 PolarHBondContact N-O 3.19Å; L527-A536 HydrophobicContact CD1-CB 4.31Å; E528-A536 WeakPolarHBondContact O-CA 3.15Å; N534-A536 PolarHBondContact O-N 3.15Å; N534-A536 VanDerWaalsContact O-N 3.12Å
537Y92.2Very high92.7Very high5 Ų551.6 Ų51.62%0.0226%0.263CS..EExtended strand (participates in β ladder)trans-150.4161.8177.970.6-81.7000112.1L197 Y296 K297 E528 V535 K539L197-Y537 HydrophobicContact CD1-CD1 3.7Å; L197-Y537 HydrophobicContact CD1-CE1 3.65Å; L197-Y537 HydrophobicContact CD1-CG 4.2Å; Y296-Y537 AromaticContact CD1-CD2 3.82Å; Y296-Y537 HydrophobicContact CD1-CD2 3.82Å; Y296-Y537 AromaticContact CD1-CE2 3.9Å; Y296-Y537 HydrophobicContact CD1-CE2 3.9Å; Y296-Y537 HydrophobicContact CE1-CD2 4.46Å; Y296-Y537 HydrophobicContact CE1-CE2 4.08Å; K297-Y537 CarbonylContact O-C 3.48Å; K297-Y537 WeakPolarHBondContact O-CA 3.26Å; K297-Y537 WeakPolarHBondContact O-CB 3.49Å; E528-Y537 HydrophobicContact CB-CD1 4.25Å; E528-Y537 HydrophobicContact CB-CD2 4.4Å; E528-Y537 HydrophobicContact CB-CE1 3.73Å; E528-Y537 HydrophobicContact CB-CE2 3.91Å; E528-Y537 PolarHBondContact N-O 3.45Å; E528-Y537 WeakPolarHBondContact O-CD1 3.46Å; E528-Y537 PolarHBondContact O-N 3.33Å; E528-Y537 PolarHBondContact OE2-OH 3.37Å; V535-Y537 WeakPolarHBondContact O-CD1 3.39Å; Y537-K539 HydrophobicContact CE2-CB 4.39Å
538Q92.7Very high93.1Very high37 Ų3753.5 Ų53.517%0.17327%0.273CS..EExtended strand (participates in β ladder)trans-121.2134.2168.1-171.7-168.4-11.600108.4Y296 K297 F516 E540Y296-Q538 CarbonylContact C-O 3.46Å; Y296-Q538 WeakPolarHBondContact CA-O 3.31Å; K297-Q538 PolarHBondContact N-O 2.69Å; K297-Q538 PolarHBondContact O-N 3.45Å; F516-Q538 HydrophobicContact CE1-CB 4.37Å; F516-Q538 HydrophobicContact CZ-CB 3.75Å; F516-Q538 VanDerWaalsContact CZ-OE1 3.23Å; Q538-E540 PolarHBondContact NE2-OE1 3.36Å
539K92.4Very high93.4Very high90 Ų9052 Ų5239%0.39128%0.276SS..EExtended strand (participates in β ladder)trans-104.2138.1173.672.1-169.1-178.7-143.40110.8L295 Y296 E528 Y537L295-K539 CarbonylContact O-C 3.45Å; L295-K539 WeakPolarHBondContact O-CA 3.48Å; Y296-K539 HydrophobicContact CD1-CB 3.91Å; Y296-K539 HydrophobicContact CE1-CB 3.81Å; E528-K539 WeakPolarHBondContact OE1-CD 3.33Å; E528-K539 WeakPolarHBondContact OE1-CE 3.46Å; E528-K539 IonicContact OE1-NZ 2.77Å; E528-K539 PolarHBondContact OE1-NZ 3.07Å; E528-K539 IonicContact OE2-NZ 2.71Å; E528-K539 PolarHBondContact OE2-NZ 3.27Å; Y537-K539 HydrophobicContact CE2-CB 4.39Å
540E93.7Very high93.6Very high57 Ų5749 Ų4927%0.26626%0.262SS..EExtended strand (participates in β ladder)trans-134.3145.3-179.9-65.6176.8179.500109.8K294 L295 K297 Q538K294-E540 WeakPolarHBondContact CA-O 3.03Å; L295-E540 PolarHBondContact N-O 3.42Å; L295-E540 PolarHBondContact O-N 2.84Å; K297-E540 WeakPolarHBondContact CE-OE2 3.25Å; K297-E540 IonicContact NZ-OE1 2.78Å; K297-E540 PolarHBondContact NZ-OE1 3.27Å; K297-E540 IonicContact NZ-OE2 3.76Å; K297-E540 PolarHBondContact NZ-OE2 3.02Å; Q538-E540 PolarHBondContact NE2-OE1 3.36Å
541D94.3Very high93.7Very high118 Ų11852 Ų5263%0.63128%0.278SS*.EExtended strand (participates in β ladder)trans-70.8139.5166.6-69.2-40000109.5K294K294-D541 IonicContact NZ-OD1 2.9Å; K294-D541 PolarHBondContact NZ-OD1 3.41Å
542I95.2Very high93.8Very high14 Ų1455.3 Ų55.37%0.07229%0.286CS..PPolyproline II helixtrans-70.8130.5174.1-61.4170.8000107.9L295 I509 E544 I546 M547 W550L295-I542 HydrophobicContact CB-CG1 4.47Å; I509-I542 HydrophobicContact CD1-CD1 3.71Å; I509-I542 HydrophobicContact CG1-CD1 4.49Å; I542-E544 PolarHBondContact O-N 2.99Å; I542-I546 HydrophobicContact CG2-CB 4.41Å; I542-I546 HydrophobicContact CG2-CG2 4.21Å; I542-M547 HydrophobicContact CB-CE 4.09Å; I542-M547 HydrophobicContact CD1-CE 3.86Å; I542-M547 HydrophobicContact CG2-CB 4.36Å; I542-M547 HydrophobicContact CG2-CE 4.15Å; I542-W550 HydrophobicContact CD1-CZ3 4.04Å; I542-W550 HydrophobicContact CG2-CH2 3.95Å; I542-W550 HydrophobicContact CG2-CZ3 3.69Å
543P95.7Very high93.9Very high54 Ų5455 Ų5535%0.35129%0.29SS..PPolyproline II helixtrans-53.7135.8179.1-26.734.6000112.3D545 I546 M547P543-D545 VanDerWaalsContact C-N 3.26Å; P543-D545 WeakPolarHBondContact CB-OD1 3.29Å; P543-D545 PolarHBondContact O-N 3.34Å; P543-I546 HydrophobicContact CB-CB 4.28Å; P543-I546 HydrophobicContact CB-CG1 3.97Å; P543-I546 HydrophobicContact CG-CG1 4.29Å; P543-I546 WeakPolarHBondContact O-CB 3.23Å; P543-I546 PolarHBondContact O-N 3.31Å; P543-I546 VanDerWaalsContact O-N 3.09Å; P543-M547 PolarHBondContact O-N 3.44Å
544E94.8Very high94Very high149 Ų14964 Ų6470%0.69633%0.329SS*.Hα-helixtrans-62.6-33.9-172.8-170.7-179.1177.300112.3I542 N548I542-E544 PolarHBondContact O-N 2.99Å; E544-N548 WeakPolarHBondContact O-CB 3.49Å; E544-N548 VanDerWaalsContact O-CG 3.26Å; E544-N548 PolarHBondContact O-N 2.65Å; E544-N548 PolarHBondContact O-ND2 3.49Å; E544-N548 VanDerWaalsContact O-ND2 3.13Å
545D96.3Very high94.1Very high114 Ų11461.8 Ų61.861%0.6132%0.319SS*.Hα-helixtrans-65.2-41.5174.361.9-48.7000112.2P543 G549P543-D545 VanDerWaalsContact C-N 3.26Å; P543-D545 WeakPolarHBondContact CB-OD1 3.29Å; P543-D545 PolarHBondContact O-N 3.34Å; D545-G549 PolarHBondContact O-N 3.45Å
546I96.6Very high94.1Very high46 Ų4665 Ų6524%0.23634%0.336CS..Hα-helixtrans-66.9-47.4175.4-61.8-63.2000110.6F387 I542 P543 N548 G549 W550F387-I546 HydrophobicContact CB-CG2 4.08Å; F387-I546 HydrophobicContact CD1-CG2 4.14Å; F387-I546 HydrophobicContact CD2-CD1 4.44Å; F387-I546 HydrophobicContact CD2-CG1 4.32Å; F387-I546 HydrophobicContact CD2-CG2 4.37Å; F387-I546 HydrophobicContact CG-CG2 3.96Å; I542-I546 HydrophobicContact CG2-CB 4.41Å; I542-I546 HydrophobicContact CG2-CG2 4.21Å; P543-I546 HydrophobicContact CB-CB 4.28Å; P543-I546 HydrophobicContact CB-CG1 3.97Å; P543-I546 HydrophobicContact CG-CG1 4.29Å; P543-I546 WeakPolarHBondContact O-CB 3.23Å; P543-I546 PolarHBondContact O-N 3.31Å; P543-I546 VanDerWaalsContact O-N 3.09Å; I546-N548 PolarHBondContact O-N 3.08Å; I546-G549 WeakPolarHBondContact O-CA 3.32Å; I546-G549 PolarHBondContact O-N 3.14Å; I546-G549 VanDerWaalsContact O-N 3.16Å; I546-W550 HydrophobicContact CG2-CD2 4.01Å; I546-W550 HydrophobicContact CG2-CE3 4.27Å; I546-W550 HydrophobicContact CG2-CH2 3.68Å; I546-W550 HydrophobicContact CG2-CZ2 3.33Å; I546-W550 HydrophobicContact CG2-CZ3 4.14Å; I546-W550 PolarHBondContact O-N 3.47Å
547M96.5Very high93.8Very high23 Ų2369.2 Ų69.211%0.11336%0.357CS..Hα-helixtrans-59.2-48.5177.5-179.262.770.300111.3A293 P504 N505 I542 P543 G549 W550 I551A293-M547 HydrophobicContact CB-CE 3.97Å; P504-M547 HydrophobicContact CB-SD 3.78Å; N505-M547 HydrophobicContact CB-SD 4.21Å; I542-M547 HydrophobicContact CB-CE 4.09Å; I542-M547 HydrophobicContact CD1-CE 3.86Å; I542-M547 HydrophobicContact CG2-CB 4.36Å; I542-M547 HydrophobicContact CG2-CE 4.15Å; P543-M547 PolarHBondContact O-N 3.44Å; M547-G549 VanDerWaalsContact C-N 3.29Å; M547-G549 PolarHBondContact O-N 2.93Å; M547-W550 PolarHBondContact O-N 3.5Å; M547-W550 HydrophobicContact SD-CE3 4.4Å; M547-I551 HydrophobicContact CG-CD1 3.9Å; M547-I551 VanDerWaalsContact O-CG1 3.31Å; M547-I551 WeakPolarHBondContact O-CG1 3.25Å; M547-I551 PolarHBondContact O-N 3.05Å; M547-I551 HydrophobicContact SD-CD1 4.11Å; M547-I551 HydrophobicContact SD-CG1 4.48Å
548N96.2Very high93.6Very high63 Ų6377 Ų7734%0.33739%0.394SS..Hα-helixtrans-63.8-36.2176.2-77.6-35.2000111.8E544 I546 I551 H552E544-N548 WeakPolarHBondContact O-CB 3.49Å; E544-N548 VanDerWaalsContact O-CG 3.26Å; E544-N548 PolarHBondContact O-N 2.65Å; E544-N548 PolarHBondContact O-ND2 3.49Å; E544-N548 VanDerWaalsContact O-ND2 3.13Å; I546-N548 PolarHBondContact O-N 3.08Å; N548-I551 PolarHBondContact O-N 3.43Å; N548-H552 WeakPolarHBondContact O-CB 3.27Å; N548-H552 PolarHBondContact O-N 3.16Å; N548-H552 PolarHBondContact O-ND1 2.96Å
549G96.2Very high93.6Very high40 Ų4078.7 Ų78.741%0.41240%0.402SS..Hα-helixtrans-57-49.6172.800000112.1D545 I546 M547 S553D545-G549 PolarHBondContact O-N 3.45Å; I546-G549 WeakPolarHBondContact O-CA 3.32Å; I546-G549 PolarHBondContact O-N 3.14Å; I546-G549 VanDerWaalsContact O-N 3.16Å; M547-G549 VanDerWaalsContact C-N 3.29Å; M547-G549 PolarHBondContact O-N 2.93Å; G549-S553 WeakPolarHBondContact O-CA 3.32Å; G549-S553 VanDerWaalsContact O-CB 3.31Å; G549-S553 WeakPolarHBondContact O-CB 3.26Å; G549-S553 PolarHBondContact O-N 3.31Å
550W96.7Very high93.7Very high17 Ų1774.6 Ų74.66%0.06438%0.384CS..Hα-helixtrans-68.1-36.7176.8-60.9-32.5000113.4F387 C390 G391 F394 K398 P504 I509 I542 I546 M547 S553F387-W550 HydrophobicContact CB-CZ2 3.8Å; F387-W550 AromaticContact CD1-CH2 3.67Å; F387-W550 HydrophobicContact CD1-CH2 3.67Å; F387-W550 AromaticContact CD1-CZ2 3.63Å; F387-W550 HydrophobicContact CD1-CZ2 3.63Å; F387-W550 HydrophobicContact CE1-CH2 4.25Å; F387-W550 HydrophobicContact CG-CZ2 4.07Å; F387-W550 WeakPolarHBondContact O-CZ2 3.47Å; F387-W550 PolarHBondContact O-NE1 3.48Å; C390-W550 HydrophobicContact CB-CH2 4.01Å; C390-W550 HydrophobicContact CB-CZ2 3.59Å; G391-W550 VanDerWaalsContact CA-CD1 3.49Å; F394-W550 HydrophobicContact CD2-CB 3.98Å; F394-W550 AromaticContact CD2-CD2 3.82Å; F394-W550 HydrophobicContact CD2-CD2 3.82Å; F394-W550 HydrophobicContact CD2-CE3 4.08Å; F394-W550 AromaticContact CD2-CG 3.8Å; F394-W550 HydrophobicContact CD2-CG 3.8Å; F394-W550 AromaticContact CE2-CD2 3.71Å; F394-W550 HydrophobicContact CE2-CD2 3.71Å; F394-W550 AromaticContact CE2-CE3 3.56Å; F394-W550 HydrophobicContact CE2-CE3 3.56Å; F394-W550 HydrophobicContact CE2-CG 4.2Å; F394-W550 HydrophobicContact CE2-CH2 4.33Å; F394-W550 HydrophobicContact CE2-CZ2 4.48Å; F394-W550 AromaticContact CE2-CZ3 3.87Å; F394-W550 HydrophobicContact CE2-CZ3 3.87Å; K398-W550 WeakPolarHBondContact CE-O 3.36Å; K398-W550 PolarHBondContact NZ-O 3.39Å; P504-W550 HydrophobicContact CB-CB 4.22Å; P504-W550 HydrophobicContact CB-CE3 3.99Å; P504-W550 HydrophobicContact CG-CB 3.91Å; I509-W550 HydrophobicContact CD1-CH2 3.98Å; I509-W550 HydrophobicContact CD1-CZ3 4.17Å; I542-W550 HydrophobicContact CD1-CZ3 4.04Å; I542-W550 HydrophobicContact CG2-CH2 3.95Å; I542-W550 HydrophobicContact CG2-CZ3 3.69Å; I546-W550 HydrophobicContact CG2-CD2 4.01Å; I546-W550 HydrophobicContact CG2-CE3 4.27Å; I546-W550 HydrophobicContact CG2-CH2 3.68Å; I546-W550 HydrophobicContact CG2-CZ2 3.33Å; I546-W550 HydrophobicContact CG2-CZ3 4.14Å; I546-W550 PolarHBondContact O-N 3.47Å; M547-W550 PolarHBondContact O-N 3.5Å; M547-W550 HydrophobicContact SD-CE3 4.4Å; W550-S553 PolarHBondContact O-OG 3.46Å; W550-S553 VanDerWaalsContact O-OG 3.07Å
551I94.6Very high93.8Very high68 Ų6872.6 Ų72.635%0.34938%0.375SS..Hα-helixtrans-65.3-43179.1-70.1167.8000110.2K398 M547 N548K398-I551 WeakPolarHBondContact CE-O 3.49Å; K398-I551 PolarHBondContact NZ-O 2.8Å; M547-I551 HydrophobicContact CG-CD1 3.9Å; M547-I551 VanDerWaalsContact O-CG1 3.31Å; M547-I551 WeakPolarHBondContact O-CG1 3.25Å; M547-I551 PolarHBondContact O-N 3.05Å; M547-I551 HydrophobicContact SD-CD1 4.11Å; M547-I551 HydrophobicContact SD-CG1 4.48Å; N548-I551 PolarHBondContact O-N 3.43Å
552H94.3Very high93.8Very high143 Ų14367.3 Ų67.366%0.66235%0.346SS*.Hα-helixtrans-99.62-173.3-55.894.4000114.7N548N548-H552 WeakPolarHBondContact O-CB 3.27Å; N548-H552 PolarHBondContact O-N 3.16Å; N548-H552 PolarHBondContact O-ND1 2.96Å
553S93.8Very high93.7Very high34 Ų3466.8 Ų66.824%0.23834%0.344CS..  trans-57.4145.1176.458.10000112D395 K398 G549 W550D395-S553 VanDerWaalsContact OD1-CB 3.25Å; D395-S553 WeakPolarHBondContact OD1-CB 3.42Å; D395-S553 PolarHBondContact OD1-OG 3.44Å; K398-S553 PolarHBondContact NZ-O 3.01Å; K398-S553 PolarHBondContact NZ-OG 2.85Å; G549-S553 WeakPolarHBondContact O-CA 3.32Å; G549-S553 VanDerWaalsContact O-CB 3.31Å; G549-S553 WeakPolarHBondContact O-CB 3.26Å; G549-S553 PolarHBondContact O-N 3.31Å; W550-S553 PolarHBondContact O-OG 3.46Å; W550-S553 VanDerWaalsContact O-OG 3.07Å
554K92.7Very high93.5Very high189 Ų18965.8 Ų65.882%0.82233%0.333SS*.  trans-104.5114.1171.9-175.9-176.4176.8-171.90107.9
555P90.8Very high93.4Very high26 Ų2663.5 Ų63.517%0.16932%0.323CS..  trans-59.7150.4179-23.733.8000112.9D395 K398 I399D395-P555 HydrophobicContact CB-CB 4.02Å; D395-P555 HydrophobicContact CB-CG 4.04Å; D395-P555 WeakPolarHBondContact O-CG 3.44Å; K398-P555 HydrophobicContact CB-CG 3.88Å; K398-P555 HydrophobicContact CD-CG 4.19Å; I399-P555 HydrophobicContact CD1-CB 3.61Å; I399-P555 HydrophobicContact CG1-CB 3.53Å; I399-P555 HydrophobicContact CG1-CG 3.99Å
556D90.4Very high93.2Very high68 Ų6858.6 Ų58.636%0.36430%0.296SS..  trans-92.698.1171.8-176.9-12.8000110E558 Q559 L560D556-E558 PolarHBondContact O-N 3.3Å; D556-E558 VanDerWaalsContact O-N 3.17Å; D556-E558 WeakPolarHBondContact OD1-CB 3.46Å; D556-E558 PolarHBondContact OD1-N 2.77Å; D556-Q559 HydrophobicContact CB-CB 4.45Å; D556-Q559 PolarHBondContact O-N 2.94Å; D556-Q559 PolarHBondContact OD1-N 3.27Å; D556-Q559 WeakPolarHBondContact OD2-CG 3.45Å; D556-Q559 PolarHBondContact OD2-NE2 3Å; D556-L560 PolarHBondContact O-N 2.7Å
557D83.9Confident92.9Very high99 Ų9961.2 Ų61.253%0.52931%0.306SS..THydrogen-bonded Turntrans-66.4-11.6-177.4-60.3-33.9000113.9L560D557-L560 CarbonylContact C-O 3.27Å; D557-L560 WeakPolarHBondContact CA-O 3.35Å
558E88.7Confident92.8Very high168 Ų16860.1 Ų60.179%0.78530%0.301SS*.THydrogen-bonded Turntrans-81.4-39.4173.9-65.7-169.7174.900111.5D556D556-E558 PolarHBondContact O-N 3.3Å; D556-E558 VanDerWaalsContact O-N 3.17Å; D556-E558 WeakPolarHBondContact OD1-CB 3.46Å; D556-E558 PolarHBondContact OD1-N 2.77Å
559Q92Very high92.6Very high72 Ų7259 Ų5934%0.33630%0.295SS..THydrogen-bonded Turntrans-88.3-36-177.8-64.9-166.971.200113.1L343 D556L343-Q559 HydrophobicContact CD1-CB 4.41Å; L343-Q559 VanDerWaalsContact CD1-OE1 3.25Å; L343-Q559 HydrophobicContact CD2-CB 4.33Å; D556-Q559 HydrophobicContact CB-CB 4.45Å; D556-Q559 PolarHBondContact O-N 2.94Å; D556-Q559 PolarHBondContact OD1-N 3.27Å; D556-Q559 WeakPolarHBondContact OD2-CG 3.45Å; D556-Q559 PolarHBondContact OD2-NE2 3Å
560L95.5Very high92.3Very high4 Ų458 Ų582%0.02128%0.28CS..SBendtrans-113.8126.2177.6-68.4176.6000109.6G338 L343 I392 D395 Y396 I399 D556 D557G338-L560 WeakPolarHBondContact O-CA 3.36Å; L343-L560 HydrophobicContact CB-CD2 4.03Å; L343-L560 HydrophobicContact CD2-CD1 4.2Å; L343-L560 HydrophobicContact CD2-CD2 3.77Å; L343-L560 HydrophobicContact CD2-CG 3.81Å; I392-L560 HydrophobicContact CG2-CD1 4.3Å; I392-L560 HydrophobicContact CG2-CD2 4.38Å; D395-L560 HydrophobicContact CB-CD1 4.11Å; Y396-L560 HydrophobicContact CD2-CB 4.18Å; Y396-L560 HydrophobicContact CD2-CD2 4.1Å; I399-L560 HydrophobicContact CD1-CB 3.44Å; I399-L560 VanDerWaalsContact CD1-CB 3.44Å; I399-L560 HydrophobicContact CD1-CD1 4.42Å; I399-L560 WeakPolarHBondContact CD1-O 3.5Å; D556-L560 PolarHBondContact O-N 2.7Å; D557-L560 CarbonylContact C-O 3.27Å; D557-L560 WeakPolarHBondContact CA-O 3.35Å
561H94.7Very high92.1Very high15 Ų1562.6 Ų62.67%0.06931%0.311CS..  trans-156.7162.9176.359.476.9000111R337 G338 Y396 K435 Y564R337-H561 PolarHBondContact O-CE1 3.17Å; G338-H561 WeakPolarHBondContact CA-NE2 3.22Å; G338-H561 PolarHBondContact O-N 3.14Å; G338-H561 VanDerWaalsContact O-O 3.11Å; Y396-H561 WeakPolarHBondContact CE2-O 3.44Å; K435-H561 HydrophobicContact CD-CB 4.1Å; K435-H561 PolarHBondContact NZ-CD2 3.01Å; H561-Y564 AromaticContact CE1-CD2 3.95Å; H561-Y564 AromaticContact CE1-CE2 3.23Å; H561-Y564 WeakPolarHBondContact CE1-CE2 3.3Å; H561-Y564 AromaticContact CE1-CZ 3.35Å; H561-Y564 PolarHBondContact CE1-OH 3.17Å; H561-Y564 AromaticContact NE2-CE2 3.73Å; H561-Y564 AromaticContact NE2-CZ 3.61Å; H561-Y564 PolarHBondContact NE2-OH 3.13Å; H561-Y564 VanDerWaalsContact NE2-OH 3.08Å
562L94.2Very high92Very high7 Ų763.2 Ų63.24%0.03731%0.314CS..PPolyproline II helixtrans-62.7159.9170.6-79.588.4000110.8L331 I399 L400 H436 F438L331-L562 HydrophobicContact CD2-CD2 4.17Å; L331-L562 HydrophobicContact CD2-CG 4.47Å; I399-L562 HydrophobicContact CG2-CD1 4.01Å; L400-L562 HydrophobicContact CD2-CD1 4.06Å; L400-L562 HydrophobicContact CD2-CD2 4.31Å; L400-L562 HydrophobicContact CD2-CG 3.91Å; H436-L562 HydrophobicContact CB-CB 4.39Å; H436-L562 WeakPolarHBondContact O-CB 3.27Å; F438-L562 HydrophobicContact CB-CD2 4.36Å
563P93.2Very high91.9Very high4 Ų459 Ų593%0.02630%0.295CS..PPolyproline II helixtrans-54.1157.3-175.9-28.838.4000114.6L331 H334 H436 Y441L331-P563 HydrophobicContact CD2-CG 4.26Å; H334-P563 WeakPolarHBondContact CD2-CG 3.38Å; H334-P563 WeakPolarHBondContact NE2-CB 3.36Å; H334-P563 VanDerWaalsContact NE2-CG 3.32Å; H334-P563 WeakPolarHBondContact NE2-CG 3.32Å; H436-P563 WeakPolarHBondContact CB-O 3.24Å; H436-P563 PolarHBondContact CD2-O 3.37Å; H436-P563 PolarHBondContact N-O 3.13Å; Y441-P563 HydrophobicContact CD2-CG 4.41Å; Y441-P563 HydrophobicContact CE2-CG 4.15Å
564Y91.8Very high91.9Very high32 Ų3260.8 Ų60.813%0.12531%0.307CS..BIsolated β-bridgetrans-76.3159.7165.3-65.7-76.8000110.3R337 C433 H434 K435 H561 N566R337-Y564 HydrophobicContact CB-CE2 4.05Å; R337-Y564 HydrophobicContact CG-CE2 4.1Å; C433-Y564 HydrophobicContact CB-CD1 3.37Å; C433-Y564 HydrophobicContact CB-CE1 3.93Å; C433-Y564 HydrophobicContact CB-CG 3.82Å; H434-Y564 WeakPolarHBondContact O-CA 2.99Å; K435-Y564 HydrophobicContact CD-CE1 4.44Å; K435-Y564 HydrophobicContact CG-CD1 3.89Å; K435-Y564 HydrophobicContact CG-CE1 3.46Å; K435-Y564 VanDerWaalsContact CG-CE1 3.46Å; H561-Y564 AromaticContact CE1-CD2 3.95Å; H561-Y564 AromaticContact CE1-CE2 3.23Å; H561-Y564 WeakPolarHBondContact CE1-CE2 3.3Å; H561-Y564 AromaticContact CE1-CZ 3.35Å; H561-Y564 PolarHBondContact CE1-OH 3.17Å; H561-Y564 AromaticContact NE2-CE2 3.73Å; H561-Y564 AromaticContact NE2-CZ 3.61Å; H561-Y564 PolarHBondContact NE2-OH 3.13Å; H561-Y564 VanDerWaalsContact NE2-OH 3.08Å; Y564-N566 PolarHBondContact O-N 3.32Å
565E92Very high92Very high102 Ų10255.4 Ų55.448%0.47729%0.287SS..PPolyproline II helixtrans-55131.3169.9-174.8179.9173.700111.2H434 H436 K567H434-E565 PolarHBondContact O-N 3.38Å; H436-E565 WeakPolarHBondContact NE2-CA 3.27Å; E565-K567 PolarHBondContact O-N 3.46Å
566N91.7Very high92.2Very high10 Ų1056.7 Ų56.75%0.05329%0.292CS..  trans-76.5112.4-173.8-173.1-14000112.3E444 Y564 F568 L569 E654E444-N566 WeakPolarHBondContact OE1-CB 3.47Å; E444-N566 PolarHBondContact OE1-N 2.94Å; E444-N566 PolarHBondContact OE2-N 3.43Å; Y564-N566 PolarHBondContact O-N 3.32Å; N566-F568 VanDerWaalsContact C-N 3.27Å; N566-F568 PolarHBondContact O-N 2.88Å; N566-F568 WeakPolarHBondContact OD1-CB 3.45Å; N566-F568 PolarHBondContact OD1-N 2.9Å; N566-L569 HydrophobicContact CB-CD1 4.31Å; N566-L569 HydrophobicContact CB-CD2 4.19Å; N566-L569 HydrophobicContact CB-CG 3.95Å; N566-L569 VanDerWaalsContact O-CG 3.32Å; N566-L569 WeakPolarHBondContact O-CG 3.22Å; N566-E654 PolarHBondContact ND2-O 3.41Å; N566-E654 PolarHBondContact OD1-O 3.48Å
567K91.6Very high92.3Very high101 Ų10157.4 Ų57.444%0.43930%0.296SS..THydrogen-bonded Turntrans-74.5-9.9-18066.4-179.4179.1172.50115E565 Y684E565-K567 PolarHBondContact O-N 3.46Å; K567-Y684 HydrophobicContact CD-CE1 4.33Å
568F92.9Very high92.7Very high1 Ų156.5 Ų56.50%0.00430%0.297CS..THydrogen-bonded Turntrans-97.43.1-176.5-68.4-74.9000113.6N566 T570 E654 A655 A658 L660 Y684 F685N566-F568 VanDerWaalsContact C-N 3.27Å; N566-F568 PolarHBondContact O-N 2.88Å; N566-F568 WeakPolarHBondContact OD1-CB 3.45Å; N566-F568 PolarHBondContact OD1-N 2.9Å; F568-T570 PolarHBondContact O-N 3.4Å; F568-E654 HydrophobicContact CD2-CB 4.05Å; F568-A655 HydrophobicContact CB-CB 4.2Å; F568-A655 HydrophobicContact CD1-CB 4.03Å; F568-A655 HydrophobicContact CD2-CB 3.58Å; F568-A655 HydrophobicContact CE1-CB 4.28Å; F568-A655 HydrophobicContact CE2-CB 3.81Å; F568-A655 HydrophobicContact CG-CB 3.68Å; F568-A655 HydrophobicContact CZ-CB 4.16Å; F568-A658 HydrophobicContact CB-CB 3.87Å; F568-A658 WeakPolarHBondContact O-CB 2.96Å; F568-L660 HydrophobicContact CB-CD1 3.86Å; F568-L660 HydrophobicContact CD1-CD1 3.81Å; F568-L660 HydrophobicContact CG-CD1 4.17Å; F568-Y684 AromaticContact CD1-CD1 4Å; F568-Y684 HydrophobicContact CD1-CD1 4Å; F568-Y684 HydrophobicContact CD1-CE1 4.22Å; F568-Y684 AromaticContact CE1-CD1 3.56Å; F568-Y684 HydrophobicContact CE1-CD1 3.56Å; F568-Y684 AromaticContact CE1-CE1 3.63Å; F568-Y684 HydrophobicContact CE1-CE1 3.63Å; F568-Y684 HydrophobicContact CZ-CD1 4.46Å; F568-Y684 HydrophobicContact CZ-CE1 4.11Å; F568-F685 HydrophobicContact CD1-CB 4.43Å; F568-F685 HydrophobicContact CE1-CB 4.12Å; F568-F685 AromaticContact CE1-CD2 4Å; F568-F685 HydrophobicContact CE1-CD2 4Å; F568-F685 HydrophobicContact CZ-CD2 4.25Å
569L92.2Very high92.8Very high40 Ų4057.1 Ų57.121%0.20930%0.297CS..  trans-57.7131176.4-62.3176.2000111.2E444 V448 N566 A658 K681E444-L569 HydrophobicContact CG-CD1 3.91Å; V448-L569 HydrophobicContact CG2-CD2 3.3Å; N566-L569 HydrophobicContact CB-CD1 4.31Å; N566-L569 HydrophobicContact CB-CD2 4.19Å; N566-L569 HydrophobicContact CB-CG 3.95Å; N566-L569 VanDerWaalsContact O-CG 3.32Å; N566-L569 WeakPolarHBondContact O-CG 3.22Å; L569-A658 HydrophobicContact CD2-CB 4.3Å; L569-K681 WeakPolarHBondContact O-CE 3.32Å
570T91.4Very high92.8Very high18 Ų1857.1 Ų57.111%0.1130%0.302CS..  trans-86.9138.3177-64.50000110.3F568 D572 F573 F678 E680F568-T570 PolarHBondContact O-N 3.4Å; T570-D572 WeakPolarHBondContact CG2-O 3.42Å; T570-F573 HydrophobicContact CG2-CD1 3.96Å; T570-F573 HydrophobicContact CG2-CE1 3.61Å; T570-F573 HydrophobicContact CG2-CE2 4.45Å; T570-F573 HydrophobicContact CG2-CZ 3.88Å; T570-F573 WeakPolarHBondContact O-CZ 3.18Å; T570-F678 HydrophobicContact CG2-CB 3.81Å; T570-F678 HydrophobicContact CG2-CD1 4.46Å; T570-F678 HydrophobicContact CG2-CG 4.06Å; T570-F678 WeakPolarHBondContact OG1-CB 3.13Å; T570-E680 HydrophobicContact CG2-CB 4.11Å
571T90.9Very high92.7Very high114 Ų11459.2 Ų59.270%0.69931%0.313SS*.  trans-119.9-22.9177.557.70000112.6E680T571-E680 PolarHBondContact N-OE2 3.23Å; T571-E680 PolarHBondContact OG1-OE2 3.33Å
572D92.4Very high92.7Very high80 Ų8060.9 Ų60.943%0.42832%0.322SS..  trans-103.3116.8175.2-174.46.4000111.2T570 S574 E680T570-D572 WeakPolarHBondContact CG2-O 3.42Å; D572-S574 WeakPolarHBondContact OD1-CB 3.16Å; D572-S574 PolarHBondContact OD1-N 3.32Å; D572-S574 PolarHBondContact OD1-OG 2.99Å; D572-S574 PolarHBondContact OD2-OG 3.24Å; D572-E680 HydrophobicContact CB-CB 4.41Å; D572-E680 HydrophobicContact CB-CG 4.09Å; D572-E680 PolarHBondContact N-OE2 3.34Å
573F93.1Very high92.5Very high56 Ų5669.4 Ų69.425%0.24636%0.359CS..  trans-116.124.2177.2-57.1-80.4000111.9A451 Y455 T570 P614 F678A451-F573 HydrophobicContact CB-CE1 4.32Å; A451-F573 HydrophobicContact CB-CZ 4.02Å; Y455-F573 AromaticContact CD2-CD1 3.78Å; Y455-F573 HydrophobicContact CD2-CD1 3.78Å; Y455-F573 HydrophobicContact CD2-CE1 4.05Å; Y455-F573 HydrophobicContact CD2-CG 4.46Å; Y455-F573 HydrophobicContact CE1-CB 4.34Å; Y455-F573 HydrophobicContact CE2-CB 3.95Å; Y455-F573 AromaticContact CE2-CD1 3.31Å; Y455-F573 HydrophobicContact CE2-CD1 3.31Å; Y455-F573 HydrophobicContact CE2-CD2 4.22Å; Y455-F573 AromaticContact CE2-CE1 3.78Å; Y455-F573 HydrophobicContact CE2-CE1 3.78Å; Y455-F573 AromaticContact CE2-CG 3.56Å; Y455-F573 HydrophobicContact CE2-CG 3.56Å; Y455-F573 HydrophobicContact CE2-CZ 4.41Å; Y455-F573 AromaticContact CZ-CD1 3.89Å; Y455-F573 AromaticContact CZ-CG 3.76Å; Y455-F573 WeakPolarHBondContact OH-CB 3.47Å; T570-F573 HydrophobicContact CG2-CD1 3.96Å; T570-F573 HydrophobicContact CG2-CE1 3.61Å; T570-F573 HydrophobicContact CG2-CE2 4.45Å; T570-F573 HydrophobicContact CG2-CZ 3.88Å; T570-F573 WeakPolarHBondContact O-CZ 3.18Å; F573-P614 HydrophobicContact CB-CB 4.25Å; F573-P614 HydrophobicContact CB-CG 4.06Å; F573-P614 HydrophobicContact CD1-CG 4.02Å; F573-F678 AromaticContact CD1-CD1 3.82Å; F573-F678 HydrophobicContact CD1-CD1 3.82Å; F573-F678 AromaticContact CD1-CE1 3.67Å; F573-F678 HydrophobicContact CD1-CE1 3.67Å; F573-F678 HydrophobicContact CD1-CZ 4.32Å; F573-F678 AromaticContact CE1-CD1 3.8Å; F573-F678 HydrophobicContact CE1-CD1 3.8Å; F573-F678 HydrophobicContact CE1-CD2 4.39Å; F573-F678 AromaticContact CE1-CE1 3.56Å; F573-F678 HydrophobicContact CE1-CE1 3.56Å; F573-F678 HydrophobicContact CE1-CE2 4.17Å; F573-F678 HydrophobicContact CE1-CG 4.22Å; F573-F678 AromaticContact CE1-CZ 3.76Å; F573-F678 HydrophobicContact CE1-CZ 3.76Å
574S94.2Very high92.4Very high71 Ų7173 Ų7350%0.49738%0.375SS..PPolyproline II helixtrans-71.7148.5178.964.30000112.3D572 N777D572-S574 WeakPolarHBondContact OD1-CB 3.16Å; D572-S574 PolarHBondContact OD1-N 3.32Å; D572-S574 PolarHBondContact OD1-OG 2.99Å; D572-S574 PolarHBondContact OD2-OG 3.24Å; S574-N777 PolarHBondContact O-ND2 3.17Å
575L94.8Very high92.5Very high76 Ų7671.8 Ų71.840%0.39837%0.371SS..PPolyproline II helixtrans-103.3142.8176.1-61.2176.5000110T609 K612 C613 P614 N777L575-T609 HydrophobicContact CB-CG2 4.49Å; L575-K612 HydrophobicContact CD1-CB 4.25Å; L575-C613 VanDerWaalsContact CD2-C 3.42Å; L575-C613 WeakPolarHBondContact CD2-O 3.21Å; L575-P614 HydrophobicContact CD2-CB 4.07Å; L575-N777 WeakPolarHBondContact CA-OD1 3.21Å
576L95.5Very high92.7Very high53 Ų5369.4 Ų69.428%0.27736%0.364SS..PPolyproline II helixtrans-63162.5166.5-64.3174.3000111.1S578 Q607 T609 N777 T779L576-S578 PolarHBondContact O-N 3.43Å; L576-Q607 HydrophobicContact CD1-CG 3.93Å; L576-T609 HydrophobicContact CB-CG2 4.16Å; L576-N777 WeakPolarHBondContact CG-OD1 3.3Å; L576-N777 PolarHBondContact N-OD1 2.86Å; L576-T779 HydrophobicContact CD1-CG2 3.93Å; L576-T779 HydrophobicContact CD2-CG2 3.84Å
577D92.8Very high92.9Very high83 Ų8369.6 Ų69.644%0.44436%0.364SS..PPolyproline II helixtrans-66.2123.8179.9-171.8-14.6000110.3K579 T580 Q607D577-K579 PolarHBondContact O-N 3.16Å; D577-K579 WeakPolarHBondContact OD1-CB 3.48Å; D577-K579 WeakPolarHBondContact OD1-CG 3.45Å; D577-K579 PolarHBondContact OD1-N 3.24Å; D577-T580 PolarHBondContact O-N 2.85Å; D577-T580 PolarHBondContact O-OG1 2.84Å; D577-Q607 PolarHBondContact O-NE2 3.41Å
578S91Very high93.2Very high79 Ų7964.8 Ų64.855%0.55234%0.343SS*.G310 helixtrans-62.2-16178.667.20000113.3L576 T580 D581 T609L576-S578 PolarHBondContact O-N 3.43Å; S578-T580 PolarHBondContact O-N 2.91Å; S578-D581 VanDerWaalsContact O-CB 3.29Å; S578-D581 WeakPolarHBondContact O-CB 3.47Å; S578-D581 PolarHBondContact O-N 3.21Å; S578-T609 WeakPolarHBondContact CA-OG1 3.17Å; S578-T609 WeakPolarHBondContact CB-OG1 3.26Å
579K91.3Very high93.3Very high182 Ų18264.8 Ų64.879%0.79134%0.343SS*.G310 helixtrans-69.2-19.4172.5-66.5173.2-171.8162.60113.3D577D577-K579 PolarHBondContact O-N 3.16Å; D577-K579 WeakPolarHBondContact OD1-CB 3.48Å; D577-K579 WeakPolarHBondContact OD1-CG 3.45Å; D577-K579 PolarHBondContact OD1-N 3.24Å
580T91.8Very high93.3Very high72 Ų7268.2 Ų68.244%0.44236%0.361SS..G310 helixtrans-95.87175.461.70000112.6D577 S578 Q607D577-T580 PolarHBondContact O-N 2.85Å; D577-T580 PolarHBondContact O-OG1 2.84Å; S578-T580 PolarHBondContact O-N 2.91Å; T580-Q607 PolarHBondContact OG1-NE2 3.39Å; T580-Q607 PolarHBondContact OG1-OE1 3.42Å
581D93.5Very high93.4Very high48 Ų4870.7 Ų70.726%0.25737%0.372SS..  trans-61.9135.9173.3-763.2000111.5S578 Q607 T609 R610S578-D581 VanDerWaalsContact O-CB 3.29Å; S578-D581 WeakPolarHBondContact O-CB 3.47Å; S578-D581 PolarHBondContact O-N 3.21Å; D581-Q607 PolarHBondContact OD1-NE2 3.43Å; D581-T609 PolarHBondContact OD1-N 3.43Å; D581-T609 PolarHBondContact OD1-OG1 3.24Å; D581-T609 PolarHBondContact OD2-N 2.89Å; D581-T609 PolarHBondContact OD2-OG1 3.48Å; D581-T609 VanDerWaalsContact OD2-OG1 3.05Å; D581-R610 PolarHBondContact OD2-N 3.26Å
582M94.7Very high93.5Very high50 Ų5071.5 Ų71.525%0.24638%0.379CS..  trans-104.6131.2-177.4-60.9179.760.900110Q584 V586 F605 Q606 Q607M582-Q584 VanDerWaalsContact C-N 3.31Å; M582-Q584 PolarHBondContact O-N 2.86Å; M582-V586 HydrophobicContact CE-CB 4.12Å; M582-V586 HydrophobicContact CE-CG1 3.57Å; M582-V586 HydrophobicContact CE-CG2 3.49Å; M582-V586 VanDerWaalsContact CE-CG2 3.49Å; M582-F605 HydrophobicContact CE-CD1 4.45Å; M582-F605 HydrophobicContact SD-CD1 3.71Å; M582-F605 HydrophobicContact SD-CE1 3.53Å; M582-F605 VanDerWaalsContact SD-CE1 3.53Å; M582-Q606 HydrophobicContact CB-CG 4Å; M582-Q606 PolarHBondContact O-NE2 3.39Å; M582-Q607 HydrophobicContact CG-CB 4.46Å; M582-Q607 PolarHBondContact N-O 3.5Å
583K89.1Confident93.5Very high186 Ų18670.3 Ų70.381%0.80939%0.386SS*.SBendtrans-67.7-31.2177.4-68.3-170.8176.6-171.80113.2
584Q91.1Very high93.4Very high78 Ų7867.7 Ų67.736%0.36438%0.375SS..SBendtrans-144153.8-174.8-65.1-1790.500110.8M582 F966 N967M582-Q584 VanDerWaalsContact C-N 3.31Å; M582-Q584 PolarHBondContact O-N 2.86Å; Q584-F966 HydrophobicContact CB-CB 4.43Å; Q584-F966 HydrophobicContact CB-CD2 4.42Å; Q584-F966 HydrophobicContact CG-CB 4.14Å; Q584-N967 PolarHBondContact NE2-OD1 3Å
585P95.6Very high93.3Very high7 Ų770.2 Ų70.25%0.04538%0.378CS..  trans-61.7147.1171.3-20.532.2000113.3W604 F605 Q606 Y773 N955 F966P585-W604 HydrophobicContact CB-CE3 4Å; P585-F605 WeakPolarHBondContact CA-O 3.32Å; P585-Q606 HydrophobicContact CB-CB 4.37Å; P585-Q606 HydrophobicContact CG-CB 4.31Å; P585-Y773 HydrophobicContact CB-CE2 3.98Å; P585-Y773 HydrophobicContact CG-CE2 3.91Å; P585-N955 HydrophobicContact CG-CB 4.02Å; P585-F966 HydrophobicContact CB-CE1 4.09Å; P585-F966 HydrophobicContact CB-CE2 4Å; P585-F966 HydrophobicContact CB-CZ 3.65Å; P585-F966 HydrophobicContact CG-CD1 4.01Å; P585-F966 HydrophobicContact CG-CE1 3.59Å; P585-F966 HydrophobicContact CG-CE2 4.21Å; P585-F966 HydrophobicContact CG-CZ 3.7Å
586V95.8Very high93.1Very high53 Ų5370 Ų7032%0.32138%0.384SS..EExtended strand (participates in β ladder)trans-126.3147.7171-57.90000110.2M582 L588 W604 F605M582-V586 HydrophobicContact CE-CB 4.12Å; M582-V586 HydrophobicContact CE-CG1 3.57Å; M582-V586 HydrophobicContact CE-CG2 3.49Å; M582-V586 VanDerWaalsContact CE-CG2 3.49Å; V586-L588 HydrophobicContact CG2-CD2 3.88Å; V586-W604 CarbonylContact O-C 3.48Å; V586-W604 WeakPolarHBondContact O-CA 3.45Å; V586-F605 PolarHBondContact N-O 3.43Å; V586-F605 PolarHBondContact O-N 2.9Å
587D95.5Very high93.1Very high13 Ų1369.8 Ų69.87%0.0738%0.379CS..EExtended strand (participates in β ladder)trans-92107.6174.5-174.3-3.2000111.2N589 L590 H602 L603 W604D587-N589 PolarHBondContact O-N 3.1Å; D587-N589 WeakPolarHBondContact OD1-CB 3.42Å; D587-N589 PolarHBondContact OD1-N 3.25Å; D587-L590 HydrophobicContact CB-CB 4.42Å; D587-L590 HydrophobicContact CB-CD1 4Å; D587-L590 HydrophobicContact CB-CG 4.15Å; D587-L590 PolarHBondContact O-N 3.47Å; D587-L590 WeakPolarHBondContact OD2-CG 3.48Å; D587-H602 IonicContact OD2-CE1 3.45Å; D587-H602 IonicContact OD2-CG 2.83Å; D587-H602 IonicContact OD2-ND1 3.32Å; D587-H602 PolarHBondContact OD2-ND1 2.94Å; D587-L603 CarbonylContact C-O 3.55Å; D587-L603 WeakPolarHBondContact CA-O 3.4Å; D587-L603 PolarHBondContact OD1-N 2.71Å; D587-W604 HydrophobicContact CB-CD2 4.1Å; D587-W604 HydrophobicContact CB-CE3 4.08Å; D587-W604 HydrophobicContact CB-CH2 4.28Å; D587-W604 HydrophobicContact CB-CZ2 4.29Å; D587-W604 HydrophobicContact CB-CZ3 4.15Å
588L96.9Very high93.1Very high0 Ų068.7 Ų68.70%037%0.373CS..THydrogen-bonded Turntrans-66.7-18.2-179.7-57.6-171000113.3V586 E591 A594 L603 F605 R780 I784V586-L588 HydrophobicContact CG2-CD2 3.88Å; L588-E591 WeakPolarHBondContact CD2-OE1 3.24Å; L588-A594 WeakPolarHBondContact O-CB 3.27Å; L588-L603 HydrophobicContact CB-CB 4.42Å; L588-L603 HydrophobicContact CB-CD2 4.12Å; L588-L603 HydrophobicContact CB-CG 4.2Å; L588-L603 HydrophobicContact CD1-CD2 3.97Å; L588-L603 HydrophobicContact CD1-CG 4.23Å; L588-L603 HydrophobicContact CG-CD2 4.49Å; L588-L603 HydrophobicContact CG-CG 4.42Å; L588-L603 PolarHBondContact N-O 2.98Å; L588-F605 HydrophobicContact CD1-CB 3.67Å; L588-F605 HydrophobicContact CD1-CD1 4.42Å; L588-F605 HydrophobicContact CD1-CG 4.06Å; L588-F605 HydrophobicContact CD2-CB 4.11Å; L588-F605 HydrophobicContact CD2-CD1 4.3Å; L588-F605 HydrophobicContact CG-CB 3.74Å; L588-F605 HydrophobicContact CG-CG 4.48Å; L588-R780 HydrophobicContact CD1-CG 4.06Å; L588-R780 VanDerWaalsContact CD2-CZ 3.49Å; L588-I784 HydrophobicContact CD1-CG1 4.06Å
589N95.2Very high93.2Very high1 Ų169.7 Ų69.71%0.00537%0.367CS..THydrogen-bonded Turntrans-88.5-13.2179.1-72.7-10000113.2D587 E591 R597 L598 G601 F787D587-N589 PolarHBondContact O-N 3.1Å; D587-N589 WeakPolarHBondContact OD1-CB 3.42Å; D587-N589 PolarHBondContact OD1-N 3.25Å; N589-E591 VanDerWaalsContact C-N 3.3Å; N589-R597 WeakPolarHBondContact OD1-CB 3.43Å; N589-R597 WeakPolarHBondContact OD1-CD 3.45Å; N589-R597 PolarHBondContact OD1-NE 3.21Å; N589-L598 HydrophobicContact CB-CB 4.37Å; N589-L598 HydrophobicContact CB-CD1 4.21Å; N589-L598 WeakPolarHBondContact O-CB 3.43Å; N589-G601 PolarHBondContact ND2-O 2.98Å; N589-F787 WeakPolarHBondContact ND2-CE2 3.34Å; N589-F787 WeakPolarHBondContact ND2-CZ 3.39Å
590L93.7Very high93.4Very high112 Ų11262.9 Ų62.959%0.58634%0.337SS*.SBendtrans-83.6-9.6170.4-70.5177.1000112.9D587 L598D587-L590 HydrophobicContact CB-CB 4.42Å; D587-L590 HydrophobicContact CB-CD1 4Å; D587-L590 HydrophobicContact CB-CG 4.15Å; D587-L590 PolarHBondContact O-N 3.47Å; D587-L590 WeakPolarHBondContact OD2-CG 3.48Å; L590-L598 HydrophobicContact CD2-CD1 3.95Å; L590-L598 HydrophobicContact CD2-CD2 4.36Å
591E93.7Very high93.5Very high70 Ų7059.4 Ų59.433%0.32732%0.316SS..SBendtrans-71.2149.9178.7-64.1-173.4-165.200112.6L588 N589 G593 A594 R780L588-E591 WeakPolarHBondContact CD2-OE1 3.24Å; N589-E591 VanDerWaalsContact C-N 3.3Å; E591-G593 PolarHBondContact O-N 3.4Å; E591-A594 WeakPolarHBondContact O-CB 3.43Å; E591-A594 PolarHBondContact O-N 3.47Å; E591-R780 IonicContact OE1-CZ 2.6Å; E591-R780 IonicContact OE1-NH1 3.62Å; E591-R780 PolarHBondContact OE1-NH1 3.28Å; E591-R780 IonicContact OE1-NH2 3.81Å; E591-R780 PolarHBondContact OE1-NH2 3.45Å; E591-R780 IonicContact OE2-CZ 2.73Å; E591-R780 IonicContact OE2-NH1 3.47Å; E591-R780 IonicContact OE2-NH2 3.99Å; E591-R780 PolarHBondContact OE2-NH2 3.2Å
592P92.1Very high93.6Very high131 Ų13159.7 Ų59.785%0.85132%0.315SS*.THydrogen-bonded Turntrans-55.9131.8176.1-24.133.8000112.5
593G91.3Very high93.7Very high56 Ų5657.3 Ų57.358%0.57730%0.304SS*.THydrogen-bonded Turntrans90.2-2.7-179.100000115.1E591 E595E591-G593 PolarHBondContact O-N 3.4Å; G593-E595 WeakPolarHBondContact CA-OE2 3.34Å; G593-E595 PolarHBondContact N-OE1 3.49Å; G593-E595 PolarHBondContact N-OE2 2.86Å
594A93Very high94.1Very high1 Ų150.1 Ų50.11%0.00827%0.271CS..  trans-95.912.8176.500000113.7L588 E591 S596 R597 L598L588-A594 WeakPolarHBondContact O-CB 3.27Å; E591-A594 WeakPolarHBondContact O-CB 3.43Å; E591-A594 PolarHBondContact O-N 3.47Å; A594-S596 PolarHBondContact O-N 2.98Å; A594-S596 VanDerWaalsContact O-N 3.12Å; A594-R597 PolarHBondContact O-N 3.47Å; A594-L598 PolarHBondContact O-N 3.39Å
595E91.2Very high94.4Very high123 Ų12346.7 Ų46.758%0.57526%0.255SS*.Hα-helixtrans-60.2-30.3-173.2-5882.7178.200112.4G593 R597 K599G593-E595 WeakPolarHBondContact CA-OE2 3.34Å; G593-E595 PolarHBondContact N-OE1 3.49Å; G593-E595 PolarHBondContact N-OE2 2.86Å; E595-R597 VanDerWaalsContact C-N 3.31Å; E595-R597 PolarHBondContact O-N 2.99Å; E595-K599 PolarHBondContact O-N 3.15Å
596S91.5Very high94.5Very high73 Ų7346.4 Ų46.451%0.5125%0.253SS..Hα-helixtrans-65.7-30.517559.90000113.3A594 K599 Y600A594-S596 PolarHBondContact O-N 2.98Å; A594-S596 VanDerWaalsContact O-N 3.12Å; S596-K599 WeakPolarHBondContact O-CE 3.08Å; S596-K599 WeakPolarHBondContact O-CG 3.19Å; S596-Y600 WeakPolarHBondContact O-CD2 3.46Å; S596-Y600 WeakPolarHBondContact O-CE2 3.35Å
597R93.7Very high94.6Very high48 Ų4844.7 Ų44.718%0.18124%0.242CC..Hα-helixtrans-85.7-42.6174.1-70.1-171-63.8-89-3.5111.3N589 A594 E595 K599 Y600 F787 D788N589-R597 WeakPolarHBondContact OD1-CB 3.43Å; N589-R597 WeakPolarHBondContact OD1-CD 3.45Å; N589-R597 PolarHBondContact OD1-NE 3.21Å; A594-R597 PolarHBondContact O-N 3.47Å; E595-R597 VanDerWaalsContact C-N 3.31Å; E595-R597 PolarHBondContact O-N 2.99Å; R597-K599 PolarHBondContact O-N 3.31Å; R597-K599 VanDerWaalsContact O-N 3.08Å; R597-Y600 WeakPolarHBondContact O-CB 3.3Å; R597-Y600 PolarHBondContact O-N 2.85Å; R597-F787 HydrophobicContact CB-CD1 4.22Å; R597-F787 HydrophobicContact CB-CE1 3.7Å; R597-F787 HydrophobicContact CB-CZ 4.41Å; R597-F787 HydrophobicContact CG-CD1 4.03Å; R597-F787 HydrophobicContact CG-CE1 3.96Å; R597-D788 WeakPolarHBondContact CD-OD1 3.11Å
598L93.6Very high94.5Very high59 Ų5944.7 Ų44.731%0.30924%0.243SC..Hα-helixtrans-53.8-34.3-177.1-175.158.5000113.7N589 L590 A594 Y600 G601N589-L598 HydrophobicContact CB-CB 4.37Å; N589-L598 HydrophobicContact CB-CD1 4.21Å; N589-L598 WeakPolarHBondContact O-CB 3.43Å; L590-L598 HydrophobicContact CD2-CD1 3.95Å; L590-L598 HydrophobicContact CD2-CD2 4.36Å; A594-L598 PolarHBondContact O-N 3.39Å; L598-Y600 PolarHBondContact O-N 2.86Å; L598-Y600 VanDerWaalsContact O-N 3.16Å; L598-G601 PolarHBondContact O-N 2.85Å; L598-G601 VanDerWaalsContact O-N 3.13Å
599K93.8Very high94.2Very high100 Ų10045.2 Ų45.244%0.43525%0.246SC..THydrogen-bonded Turntrans-59.1-26.3176.772.2-172.4-175.2-178.30113.6E595 S596 R597 P798E595-K599 PolarHBondContact O-N 3.15Å; S596-K599 WeakPolarHBondContact O-CE 3.08Å; S596-K599 WeakPolarHBondContact O-CG 3.19Å; R597-K599 PolarHBondContact O-N 3.31Å; R597-K599 VanDerWaalsContact O-N 3.08Å; K599-P798 HydrophobicContact CB-CB 4.33Å; K599-P798 HydrophobicContact CD-CG 4.26Å; K599-P798 HydrophobicContact CG-CB 4.12Å; K599-P798 HydrophobicContact CG-CG 4.11Å; K599-P798 WeakPolarHBondContact O-CB 3.26Å
600Y95.1Very high93.9Very high39 Ų3950 Ų5015%0.15326%0.264CS..THydrogen-bonded Turntrans-88.3-24.7177.9-63.6-81.5000113.1S596 R597 L598 H769 I770 V791 P796 P798S596-Y600 WeakPolarHBondContact O-CD2 3.46Å; S596-Y600 WeakPolarHBondContact O-CE2 3.35Å; R597-Y600 WeakPolarHBondContact O-CB 3.3Å; R597-Y600 PolarHBondContact O-N 2.85Å; L598-Y600 PolarHBondContact O-N 2.86Å; L598-Y600 VanDerWaalsContact O-N 3.16Å; Y600-H769 WeakPolarHBondContact O-CA 3.25Å; Y600-I770 PolarHBondContact O-N 3.28Å; Y600-V791 HydrophobicContact CD1-CG1 4.1Å; Y600-V791 HydrophobicContact CD1-CG2 4.35Å; Y600-V791 HydrophobicContact CD2-CG1 3.92Å; Y600-V791 HydrophobicContact CD2-CG2 4.21Å; Y600-V791 HydrophobicContact CE1-CG1 3.79Å; Y600-V791 HydrophobicContact CE2-CG1 3.58Å; Y600-V791 HydrophobicContact CG-CG1 4.17Å; Y600-V791 HydrophobicContact CG-CG2 4.03Å; Y600-P796 HydrophobicContact CD1-CG 4.08Å; Y600-P796 HydrophobicContact CE1-CG 4.19Å; Y600-P796 WeakPolarHBondContact CE1-O 3.44Å; Y600-P798 HydrophobicContact CD1-CB 3.79Å; Y600-P798 HydrophobicContact CD1-CG 3.89Å; Y600-P798 HydrophobicContact CE1-CB 4.05Å; Y600-P798 HydrophobicContact CE1-CG 3.59Å; Y600-P798 HydrophobicContact CG-CB 4.26Å
601G94.5Very high93.6Very high0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans142.1-152.2178.500000112.9N589 L598 I770N589-G601 PolarHBondContact ND2-O 2.98Å; L598-G601 PolarHBondContact O-N 2.85Å; L598-G601 VanDerWaalsContact O-N 3.13Å; G601-I770 CarbonylContact C-O 3.51Å; G601-I770 VanDerWaalsContact CA-O 3.25Å; G601-I770 WeakPolarHBondContact CA-O 3.49Å
602H94.5Very high93.4Very high54 Ų5449.4 Ų49.425%0.2526%0.255CS..EExtended strand (participates in β ladder)trans-109.5141.3-165-63.3-79.6000112.4D587 H769 I770 T771 I772D587-H602 IonicContact OD2-CE1 3.45Å; D587-H602 IonicContact OD2-CG 2.83Å; D587-H602 IonicContact OD2-ND1 3.32Å; D587-H602 PolarHBondContact OD2-ND1 2.94Å; H602-H769 AromaticContact CD2-CE1 3.74Å; H602-H769 AromaticContact CD2-NE2 3.67Å; H602-I770 PolarHBondContact N-O 2.86Å; H602-T771 HydrophobicContact CB-CG2 4.43Å; H602-T771 WeakPolarHBondContact O-CA 3.44Å; H602-I772 PolarHBondContact O-N 3.04Å
603L97.2Very high93.2Very high0 Ų043.3 Ų43.30%022%0.216CC..EExtended strand (participates in β ladder)trans-124.495.1176.2174.159.2000109.2D587 L588 I772 I784 F787D587-L603 CarbonylContact C-O 3.55Å; D587-L603 WeakPolarHBondContact CA-O 3.4Å; D587-L603 PolarHBondContact OD1-N 2.71Å; L588-L603 HydrophobicContact CB-CB 4.42Å; L588-L603 HydrophobicContact CB-CD2 4.12Å; L588-L603 HydrophobicContact CB-CG 4.2Å; L588-L603 HydrophobicContact CD1-CD2 3.97Å; L588-L603 HydrophobicContact CD1-CG 4.23Å; L588-L603 HydrophobicContact CG-CD2 4.49Å; L588-L603 HydrophobicContact CG-CG 4.42Å; L588-L603 PolarHBondContact N-O 2.98Å; L603-I772 HydrophobicContact CD1-CB 3.77Å; L603-I772 HydrophobicContact CD1-CG2 3.71Å; L603-I784 HydrophobicContact CD2-CG1 4.09Å; L603-F787 HydrophobicContact CB-CD2 3.85Å; L603-F787 HydrophobicContact CB-CE2 4.3Å; L603-F787 HydrophobicContact CB-CG 4.38Å; L603-F787 HydrophobicContact CD1-CB 4.19Å; L603-F787 HydrophobicContact CD1-CD2 4.3Å; L603-F787 HydrophobicContact CD2-CB 3.85Å; L603-F787 HydrophobicContact CD2-CG 4.29Å; L603-F787 HydrophobicContact CG-CB 4.45Å; L603-F787 HydrophobicContact CG-CD2 4.44Å
604W97.6Very high93.3Very high34 Ų3440.7 Ų40.713%0.12919%0.189CC..EExtended strand (participates in β ladder)trans-81.1137.6175.2-62.689.6000111P585 V586 D587 I772 Y773 A774 I959 A964 F966P585-W604 HydrophobicContact CB-CE3 4Å; V586-W604 CarbonylContact O-C 3.48Å; V586-W604 WeakPolarHBondContact O-CA 3.45Å; D587-W604 HydrophobicContact CB-CD2 4.1Å; D587-W604 HydrophobicContact CB-CE3 4.08Å; D587-W604 HydrophobicContact CB-CH2 4.28Å; D587-W604 HydrophobicContact CB-CZ2 4.29Å; D587-W604 HydrophobicContact CB-CZ3 4.15Å; W604-I772 PolarHBondContact N-O 3.46Å; W604-Y773 HydrophobicContact CB-CD2 3.67Å; W604-Y773 HydrophobicContact CB-CG 4.19Å; W604-Y773 WeakPolarHBondContact O-CA 3.38Å; W604-A774 PolarHBondContact O-N 3.36Å; W604-I959 HydrophobicContact CB-CD1 3.68Å; W604-I959 HydrophobicContact CB-CG1 4.47Å; W604-I959 VanDerWaalsContact CD1-CG2 3.47Å; W604-I959 HydrophobicContact CD2-CD1 3.95Å; W604-I959 HydrophobicContact CD2-CG1 3.77Å; W604-I959 HydrophobicContact CD2-CG2 4.43Å; W604-I959 HydrophobicContact CE3-CD1 4.42Å; W604-I959 HydrophobicContact CE3-CG1 4.24Å; W604-I959 HydrophobicContact CG-CD1 3.61Å; W604-I959 HydrophobicContact CG-CG1 3.87Å; W604-I959 HydrophobicContact CG-CG2 4.09Å; W604-A964 HydrophobicContact CH2-CB 3.57Å; W604-A964 HydrophobicContact CZ2-CB 3.93Å; W604-A964 HydrophobicContact CZ3-CB 4.41Å; W604-F966 HydrophobicContact CE3-CE2 4.19Å; W604-F966 AromaticContact CE3-CZ 3.92Å; W604-F966 HydrophobicContact CE3-CZ 3.92Å; W604-F966 HydrophobicContact CH2-CE2 4.23Å; W604-F966 HydrophobicContact CH2-CZ 4.26Å; W604-F966 AromaticContact CZ3-CE2 3.58Å; W604-F966 HydrophobicContact CZ3-CE2 3.58Å; W604-F966 AromaticContact CZ3-CZ 3.67Å; W604-F966 HydrophobicContact CZ3-CZ 3.67Å
605F97.9Very high93.4Very high7 Ų742 Ų423%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-139.3136.5-177.9171.9-108.1000110.9M582 P585 V586 L588 Q607 A774 I778 R780 A783M582-F605 HydrophobicContact CE-CD1 4.45Å; M582-F605 HydrophobicContact SD-CD1 3.71Å; M582-F605 HydrophobicContact SD-CE1 3.53Å; M582-F605 VanDerWaalsContact SD-CE1 3.53Å; P585-F605 WeakPolarHBondContact CA-O 3.32Å; V586-F605 PolarHBondContact N-O 3.43Å; V586-F605 PolarHBondContact O-N 2.9Å; L588-F605 HydrophobicContact CD1-CB 3.67Å; L588-F605 HydrophobicContact CD1-CD1 4.42Å; L588-F605 HydrophobicContact CD1-CG 4.06Å; L588-F605 HydrophobicContact CD2-CB 4.11Å; L588-F605 HydrophobicContact CD2-CD1 4.3Å; L588-F605 HydrophobicContact CG-CB 3.74Å; L588-F605 HydrophobicContact CG-CG 4.48Å; F605-Q607 HydrophobicContact CE1-CB 4.3Å; F605-Q607 HydrophobicContact CE2-CB 4.49Å; F605-Q607 HydrophobicContact CZ-CB 3.78Å; F605-A774 WeakPolarHBondContact CA-O 3.16Å; F605-A774 HydrophobicContact CD2-CB 4.48Å; F605-I778 HydrophobicContact CE2-CG2 4.29Å; F605-R780 HydrophobicContact CD1-CB 4.5Å; F605-R780 HydrophobicContact CE1-CB 3.87Å; F605-R780 HydrophobicContact CE1-CG 4.32Å; F605-R780 HydrophobicContact CE2-CB 4.47Å; F605-R780 HydrophobicContact CZ-CB 3.85Å; F605-A783 HydrophobicContact CD2-CB 3.58Å; F605-A783 HydrophobicContact CE2-CB 4.16Å; F605-A783 HydrophobicContact CG-CB 4.35Å
606Q97.1Very high93.7Very high1 Ų136.1 Ų36.11%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-148.1103.5171.4-175.8-169.7-3.500110.2M582 P585 Y773 A774 Y775 G776 E951 N955M582-Q606 HydrophobicContact CB-CG 4Å; M582-Q606 PolarHBondContact O-NE2 3.39Å; P585-Q606 HydrophobicContact CB-CB 4.37Å; P585-Q606 HydrophobicContact CG-CB 4.31Å; Q606-Y773 HydrophobicContact CB-CE2 4.04Å; Q606-Y773 PolarHBondContact OE1-OH 3.1Å; Q606-A774 PolarHBondContact N-O 3.33Å; Q606-Y775 HydrophobicContact CB-CD2 3.94Å; Q606-Y775 HydrophobicContact CG-CD2 3.95Å; Q606-Y775 HydrophobicContact CG-CE2 4.26Å; Q606-Y775 VanDerWaalsContact O-CA 3.3Å; Q606-Y775 WeakPolarHBondContact O-CA 3.5Å; Q606-Y775 WeakPolarHBondContact O-CD2 3.4Å; Q606-G776 PolarHBondContact O-N 3.42Å; Q606-E951 PolarHBondContact NE2-OE1 3.45Å; Q606-N955 PolarHBondContact OE1-ND2 3.33Å
607Q96.8Very high94Very high17 Ų1732.6 Ų32.68%0.07914%0.143CC..EExtended strand (participates in β ladder)trans-70133.2168.2-162.6-158-67.200109.6L576 D577 T580 D581 M582 F605L576-Q607 HydrophobicContact CD1-CG 3.93Å; D577-Q607 PolarHBondContact O-NE2 3.41Å; T580-Q607 PolarHBondContact OG1-NE2 3.39Å; T580-Q607 PolarHBondContact OG1-OE1 3.42Å; D581-Q607 PolarHBondContact OD1-NE2 3.43Å; M582-Q607 HydrophobicContact CG-CB 4.46Å; M582-Q607 PolarHBondContact N-O 3.5Å; F605-Q607 HydrophobicContact CE1-CB 4.3Å; F605-Q607 HydrophobicContact CE2-CB 4.49Å; F605-Q607 HydrophobicContact CZ-CB 3.78Å
608S94.4Very high94.2Very high12 Ų1230.3 Ų30.38%0.08413%0.134CC..  trans-153.4131.3172.4-176.90000110.9G776S608-G776 PolarHBondContact N-O 3.2Å; S608-G776 VanDerWaalsContact N-O 3.09Å; S608-G776 CarbonylContact O-C 3.4Å; S608-G776 WeakPolarHBondContact O-CA 3.49Å
609T91.4Very high94.4Very high11 Ų1127.6 Ų27.67%0.06712%0.119CC..  trans-117.413.1173.459.40000111.8L575 L576 S578 D581 F611 K612L575-T609 HydrophobicContact CB-CG2 4.49Å; L576-T609 HydrophobicContact CB-CG2 4.16Å; S578-T609 WeakPolarHBondContact CA-OG1 3.17Å; S578-T609 WeakPolarHBondContact CB-OG1 3.26Å; D581-T609 PolarHBondContact OD1-N 3.43Å; D581-T609 PolarHBondContact OD1-OG1 3.24Å; D581-T609 PolarHBondContact OD2-N 2.89Å; D581-T609 PolarHBondContact OD2-OG1 3.48Å; D581-T609 VanDerWaalsContact OD2-OG1 3.05Å; T609-F611 PolarHBondContact O-N 3.27Å; T609-F611 VanDerWaalsContact O-N 3.13Å; T609-K612 WeakPolarHBondContact O-CA 3.45Å; T609-K612 PolarHBondContact O-N 2.98Å
610R88.3Confident94.6Very high103 Ų10322.8 Ų22.839%0.38910%0.099SC..THydrogen-bonded Turntrans-50.7-37.6-179.8-178.1174.169.1150.1-2.3113.7D581 K612 E951D581-R610 PolarHBondContact OD2-N 3.26Å; R610-K612 VanDerWaalsContact C-N 3.3Å; R610-K612 PolarHBondContact O-N 3.15Å; R610-E951 IonicContact CZ-OE2 4Å; R610-E951 IonicContact NE-OE2 2.78Å; R610-E951 IonicContact NH2-OE2 3.69Å; R610-E951 PolarHBondContact NH2-OE2 3.04Å
611F87.4Confident94.6Very high39 Ų3921 Ų2117%0.1719%0.092CC..THydrogen-bonded Turntrans-85.12179.4-61.5-71.7000114.1T609 C613 Y775 D945 N947 M948 E951T609-F611 PolarHBondContact O-N 3.27Å; T609-F611 VanDerWaalsContact O-N 3.13Å; F611-C613 HydrophobicContact CB-CB 4.46Å; F611-C613 PolarHBondContact O-N 3.02Å; F611-Y775 WeakPolarHBondContact CE2-OH 3.04Å; F611-D945 WeakPolarHBondContact CE1-O 3.44Å; F611-D945 WeakPolarHBondContact CZ-O 3.33Å; F611-N947 VanDerWaalsContact CZ-C 3.45Å; F611-N947 VanDerWaalsContact CZ-O 3.32Å; F611-N947 WeakPolarHBondContact CZ-O 3.44Å; F611-M948 HydrophobicContact CD2-CB 3.84Å; F611-M948 HydrophobicContact CD2-CG 4.35Å; F611-M948 HydrophobicContact CE2-CB 4.28Å; F611-M948 HydrophobicContact CG-CB 4.36Å; F611-E951 WeakPolarHBondContact CE2-OE2 3.25Å
612K89Confident94.7Very high129 Ų12921 Ų2156%0.5619%0.092SC*.  trans5424.3-179.6-58-179.5-179.3175.10114.2I14 L575 T609 R610I14-K612 HydrophobicContact CG2-CB 4.17Å; I14-K612 WeakPolarHBondContact CG2-O 3.42Å; L575-K612 HydrophobicContact CD1-CB 4.25Å; T609-K612 WeakPolarHBondContact O-CA 3.45Å; T609-K612 PolarHBondContact O-N 2.98Å; R610-K612 VanDerWaalsContact C-N 3.3Å; R610-K612 PolarHBondContact O-N 3.15Å
613C87.9Confident94.7Very high4 Ų418.6 Ų18.63%0.0278%0.081CC..  trans-101.4130.1-174.9-166.40000110I14 E457 L575 F611 K615I14-C613 HydrophobicContact CD1-CB 4.18Å; E457-C613 HydrophobicContact CG-CB 4.47Å; E457-C613 WeakPolarHBondContact OE1-CB 3.17Å; E457-C613 PolarHBondContact OE1-SG 3.31Å; E457-C613 VanDerWaalsContact OE1-SG 3.36Å; L575-C613 VanDerWaalsContact CD2-C 3.42Å; L575-C613 WeakPolarHBondContact CD2-O 3.21Å; F611-C613 HydrophobicContact CB-CB 4.46Å; F611-C613 PolarHBondContact O-N 3.02Å; C613-K615 PolarHBondContact O-N 3.01Å; C613-K615 WeakPolarHBondContact SG-CD 3.42Å; C613-K615 WeakPolarHBondContact SG-CG 3.45Å
614P94.4Very high94.5Very high1 Ų118.8 Ų18.81%0.0068%0.082CC..SBendtrans-79.441.2178.234.7-36.4000111.7Y455 F573 L575 F678 S679Y455-P614 VanDerWaalsContact CD1-CD 3.41Å; Y455-P614 HydrophobicContact CD1-CG 3.67Å; Y455-P614 HydrophobicContact CD2-CG 4.35Å; Y455-P614 HydrophobicContact CE1-CG 3.84Å; Y455-P614 HydrophobicContact CG-CG 3.94Å; F573-P614 HydrophobicContact CB-CB 4.25Å; F573-P614 HydrophobicContact CB-CG 4.06Å; F573-P614 HydrophobicContact CD1-CG 4.02Å; L575-P614 HydrophobicContact CD2-CB 4.07Å; P614-F678 HydrophobicContact CG-CD1 3.98Å; P614-F678 HydrophobicContact CG-CE1 3.94Å; P614-S679 PolarHBondContact O-N 3.15Å; P614-S679 VanDerWaalsContact O-N 3.1Å; P614-S679 PolarHBondContact O-OG 3.3Å
615K94.9Very high94.1Very high27 Ų2718.6 Ų18.612%0.1178%0.083CC..EExtended strand (participates in β ladder)trans-119.5154.8-175.9-63.7-174.1-164.2-175.60110.8Y455 C613 D659 G677 F678 N777 M948Y455-K615 PolarHBondContact O-NZ 3.34Å; C613-K615 PolarHBondContact O-N 3.01Å; C613-K615 WeakPolarHBondContact SG-CD 3.42Å; C613-K615 WeakPolarHBondContact SG-CG 3.45Å; K615-D659 VanDerWaalsContact CE-OD2 3.31Å; K615-D659 WeakPolarHBondContact CE-OD2 3.38Å; K615-D659 IonicContact NZ-OD2 2.7Å; K615-D659 PolarHBondContact NZ-OD2 2.97Å; K615-G677 CarbonylContact C-O 3.48Å; K615-G677 WeakPolarHBondContact CA-O 3.38Å; K615-G677 VanDerWaalsContact CB-O 3.24Å; K615-G677 WeakPolarHBondContact CB-O 3.2Å; K615-F678 HydrophobicContact CG-CD1 3.96Å; K615-F678 HydrophobicContact CG-CE1 4.25Å; K615-N777 VanDerWaalsContact O-CB 3.29Å; K615-N777 WeakPolarHBondContact O-CB 3.49Å; K615-N777 PolarHBondContact O-N 2.9Å; K615-M948 HydrophobicContact CB-SD 4.4Å
616A97Very high93.8Very high0 Ų018.6 Ų18.60%08%0.084CC..EExtended strand (participates in β ladder)trans-134.6151.3174.800000109.2S676 G677 L682 Y775 I778A616-S676 WeakPolarHBondContact O-CA 3.37Å; A616-G677 PolarHBondContact N-O 3.27Å; A616-G677 PolarHBondContact O-N 3.16Å; A616-L682 HydrophobicContact CB-CD2 3.6Å; A616-L682 WeakPolarHBondContact O-CD2 3.44Å; A616-Y775 CarbonylContact C-O 3.58Å; A616-Y775 WeakPolarHBondContact CA-O 3.41Å; A616-I778 HydrophobicContact CB-CB 3.83Å; A616-I778 HydrophobicContact CB-CG2 4.25Å
617S97.5Very high93.6Very high0 Ų018.6 Ų18.60%08%0.083CC..EExtended strand (participates in β ladder)trans-124.9135.2174.9-64.20000109.2I675 S676 Y775 M949S617-I675 CarbonylContact C-O 3.16Å; S617-I675 WeakPolarHBondContact CA-O 3.46Å; S617-S676 WeakPolarHBondContact OG-CB 3.26Å; S617-S676 PolarHBondContact OG-OG 2.93Å; S617-Y775 PolarHBondContact N-O 3.19Å; S617-Y775 PolarHBondContact O-N 3.33Å; S617-M949 PolarHBondContact OG-SD 3.3Å
618V98.3Very high93.2Very high0 Ų018 Ų180%08%0.081CC..EExtended strand (participates in β ladder)trans-131.2124.5178.8-171.10000109.5I620 I675 L682 I772 Y773 A774 I778 F786V618-I620 HydrophobicContact CB-CD1 4.32Å; V618-I620 HydrophobicContact CG1-CD1 3.7Å; V618-I620 HydrophobicContact CG1-CG1 4.22Å; V618-I675 HydrophobicContact CB-CD1 4.02Å; V618-I675 HydrophobicContact CB-CG1 3.74Å; V618-I675 HydrophobicContact CG2-CD1 4.4Å; V618-I675 HydrophobicContact CG2-CG1 4.39Å; V618-I675 PolarHBondContact N-O 3.46Å; V618-I675 PolarHBondContact O-N 3.47Å; V618-L682 HydrophobicContact CG2-CD2 4.03Å; V618-I772 HydrophobicContact CG1-CG2 3.81Å; V618-Y773 CarbonylContact C-O 3.57Å; V618-Y773 VanDerWaalsContact CA-O 3.29Å; V618-Y773 WeakPolarHBondContact CA-O 3.26Å; V618-A774 HydrophobicContact CG1-CB 4.38Å; V618-A774 HydrophobicContact CG2-CB 4.21Å; V618-I778 HydrophobicContact CG2-CD1 4.12Å; V618-F786 HydrophobicContact CG1-CD1 4.27Å; V618-F786 HydrophobicContact CG1-CG 4.34Å; V618-F786 HydrophobicContact CG2-CD2 4.39Å; V618-F786 HydrophobicContact CG2-CE1 4.32Å; V618-F786 HydrophobicContact CG2-CE2 4.1Å; V618-F786 HydrophobicContact CG2-CZ 4.04Å
619M97.9Very high93Very high1 Ų123 Ų231%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-107.1127.9175.1-166.669.570.900108.7R672 C674 I772 Y773 F952 W956M619-R672 HydrophobicContact CG-CG 4.26Å; M619-R672 WeakPolarHBondContact SD-CD 3.31Å; M619-R672 HydrophobicContact SD-CG 3.45Å; M619-R672 WeakPolarHBondContact SD-CG 3.46Å; M619-C674 HydrophobicContact CE-CB 3.82Å; M619-C674 VanDerWaalsContact CE-SG 3.5Å; M619-C674 HydrophobicContact SD-CB 3.54Å; M619-C674 VanDerWaalsContact SD-CB 3.54Å; M619-I772 CarbonylContact O-C 3.54Å; M619-I772 WeakPolarHBondContact O-CA 3.43Å; M619-Y773 PolarHBondContact N-O 2.94Å; M619-Y773 PolarHBondContact O-N 2.96Å; M619-F952 HydrophobicContact CB-CE1 4.34Å; M619-F952 HydrophobicContact CB-CE2 4.44Å; M619-F952 HydrophobicContact CB-CZ 3.66Å; M619-F952 HydrophobicContact CE-CE1 3.78Å; M619-F952 HydrophobicContact CE-CZ 4.27Å; M619-W956 HydrophobicContact CB-CD2 4.02Å; M619-W956 HydrophobicContact CB-CE3 3.81Å; M619-W956 HydrophobicContact CB-CH2 4.18Å; M619-W956 HydrophobicContact CB-CZ2 4.4Å; M619-W956 HydrophobicContact CB-CZ3 3.88Å; M619-W956 HydrophobicContact CE-CG 4.45Å; M619-W956 HydrophobicContact CG-CD2 3.54Å; M619-W956 HydrophobicContact CG-CE3 3.76Å; M619-W956 HydrophobicContact CG-CG 4.21Å; M619-W956 HydrophobicContact CG-CH2 3.63Å; M619-W956 HydrophobicContact CG-CZ2 3.42Å; M619-W956 VanDerWaalsContact CG-CZ2 3.42Å; M619-W956 HydrophobicContact CG-CZ3 3.79Å
620I97.8Very high93.1Very high0 Ų024.9 Ų24.90%011%0.113CC..EExtended strand (participates in β ladder)trans-122.3128.1177.4-56.492.2000108.2V618 L622 R672 I673 Y686 T771 I772V618-I620 HydrophobicContact CB-CD1 4.32Å; V618-I620 HydrophobicContact CG1-CD1 3.7Å; V618-I620 HydrophobicContact CG1-CG1 4.22Å; I620-L622 HydrophobicContact CG2-CD2 3.93Å; I620-L622 HydrophobicContact CG2-CG 4.38Å; I620-R672 CarbonylContact O-C 3.53Å; I620-R672 WeakPolarHBondContact O-CA 3.17Å; I620-I673 HydrophobicContact CB-CB 4.32Å; I620-I673 PolarHBondContact N-O 2.98Å; I620-I673 PolarHBondContact O-N 2.85Å; I620-Y686 HydrophobicContact CD1-CD2 4.08Å; I620-Y686 HydrophobicContact CD1-CE2 3.72Å; I620-Y686 HydrophobicContact CG1-CE2 4.13Å; I620-T771 CarbonylContact C-O 3.56Å; I620-I772 HydrophobicContact CB-CG1 4.23Å; I620-I772 HydrophobicContact CG1-CD1 3.98Å; I620-I772 HydrophobicContact CG1-CG1 3.9Å; I620-I772 HydrophobicContact CG1-CG2 4.28Å; I620-I772 HydrophobicContact CG2-CD1 4.22Å; I620-I772 HydrophobicContact CG2-CG1 3.95Å
621H95.8Very high93.3Very high1 Ų122.6 Ų22.61%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-119.9115174.6-171.2-134.8000110.7W623 R667 I770 T771 W956 M960H621-W623 AromaticContact CE1-CD1 3.76Å; H621-R667 PolarHBondContact NE2-O 3.32Å; H621-I770 WeakPolarHBondContact O-CA 3.28Å; H621-T771 PolarHBondContact N-O 3.39Å; H621-T771 PolarHBondContact O-N 2.7Å; H621-W956 HydrophobicContact CB-CH2 3.95Å; H621-W956 HydrophobicContact CB-CZ2 4.01Å; H621-M960 WeakPolarHBondContact ND1-CE 3.46Å
622L96.1Very high93.7Very high0 Ų024.3 Ų24.30%011%0.114CC..EExtended strand (participates in β ladder)trans-97.699.3174.3-52.2-177.7000108.6I620 G670 L671 F764 L768 I770 T790 I794I620-L622 HydrophobicContact CG2-CD2 3.93Å; I620-L622 HydrophobicContact CG2-CG 4.38Å; L622-G670 CarbonylContact O-C 3.51Å; L622-G670 WeakPolarHBondContact O-CA 3.41Å; L622-L671 HydrophobicContact CB-CB 4.33Å; L622-L671 HydrophobicContact CD1-CD2 4.42Å; L622-L671 PolarHBondContact N-O 2.76Å; L622-L671 PolarHBondContact O-N 3.21Å; L622-F764 HydrophobicContact CB-CZ 4.26Å; L622-F764 WeakPolarHBondContact O-CZ 3.3Å; L622-L768 HydrophobicContact CB-CD1 4.34Å; L622-L768 HydrophobicContact CB-CD2 4.26Å; L622-L768 HydrophobicContact CD2-CD1 4.46Å; L622-I770 HydrophobicContact CD2-CD1 4.47Å; L622-I770 HydrophobicContact CD2-CG1 3.87Å; L622-I770 HydrophobicContact CD2-CG2 4.27Å; L622-T790 HydrophobicContact CD2-CG2 4.03Å; L622-I794 HydrophobicContact CD1-CD1 3.95Å; L622-I794 HydrophobicContact CD2-CD1 4.25Å
623W94.3Very high94Very high4 Ų419.2 Ų19.22%0.0159%0.093CC..EExtended strand (participates in β ladder)trans-98.6137.9-173.2-178.587.4000112.9H621 D625 D668 L768 H769 R799 R802 K803H621-W623 AromaticContact CE1-CD1 3.76Å; W623-D625 HydrophobicContact CH2-CB 3.79Å; W623-D625 HydrophobicContact CZ2-CB 4.23Å; W623-D625 HydrophobicContact CZ3-CB 4.45Å; W623-D668 PolarHBondContact NE1-O 3.1Å; W623-L768 WeakPolarHBondContact O-CA 3.42Å; W623-H769 HydrophobicContact CB-CB 4.28Å; W623-H769 HydrophobicContact CE3-CB 3.91Å; W623-H769 PolarHBondContact N-O 2.99Å; W623-H769 PolarHBondContact O-N 3.46Å; W623-R799 HydrophobicContact CZ3-CG 4.43Å; W623-R802 HydrophobicContact CD2-CB 4.37Å; W623-R802 HydrophobicContact CD2-CG 3.89Å; W623-R802 HydrophobicContact CE3-CG 4.48Å; W623-R802 HydrophobicContact CG-CG 4.11Å; W623-R802 HydrophobicContact CZ2-CG 4.16Å; W623-K803 HydrophobicContact CH2-CB 3.81Å; W623-K803 VanDerWaalsContact CH2-N 3.28Å; W623-K803 HydrophobicContact CZ2-CB 3.99Å
624S93Very high94.3Very high3 Ų320.3 Ų20.32%0.02110%0.098CC..  trans-148.3134173.1-164.20000112.8I626 V627 N669 T767S624-I626 PolarHBondContact O-N 2.99Å; S624-I626 VanDerWaalsContact O-N 3.08Å; S624-I626 WeakPolarHBondContact OG-CG2 3.44Å; S624-V627 WeakPolarHBondContact O-CG2 3.43Å; S624-V627 PolarHBondContact O-N 3.47Å; S624-N669 PolarHBondContact N-O 2.95Å; S624-T767 PolarHBondContact OG-O 3.19Å
625D88.9Confident94.3Very high30 Ų3020.2 Ų20.216%0.1610%0.098CC..THydrogen-bonded Turntrans-67.4-10.1178.679.3-21.8000113.9W623 V627 K629 R799W623-D625 HydrophobicContact CH2-CB 3.79Å; W623-D625 HydrophobicContact CZ2-CB 4.23Å; W623-D625 HydrophobicContact CZ3-CB 4.45Å; D625-V627 VanDerWaalsContact C-N 3.28Å; D625-V627 PolarHBondContact O-N 2.93Å; D625-K629 WeakPolarHBondContact O-CG 3.42Å; D625-K629 WeakPolarHBondContact OD1-CE 3.31Å; D625-K629 IonicContact OD1-NZ 2.61Å; D625-K629 PolarHBondContact OD1-NZ 2.65Å; D625-K629 WeakPolarHBondContact OD2-CE 3.35Å; D625-K629 IonicContact OD2-NZ 2.72Å; D625-K629 PolarHBondContact OD2-NZ 3.37Å; D625-R799 VanDerWaalsContact CG-CZ 3.41Å; D625-R799 IonicContact OD1-CZ 3.75Å; D625-R799 IonicContact OD1-NH1 3.72Å; D625-R799 PolarHBondContact OD1-NH1 3.32Å; D625-R799 IonicContact OD1-NH2 3.19Å; D625-R799 IonicContact OD2-CZ 3.45Å; D625-R799 IonicContact OD2-NH1 3.33Å; D625-R799 PolarHBondContact OD2-NH1 3.31Å; D625-R799 VanDerWaalsContact OD2-NH1 3.08Å; D625-R799 IonicContact OD2-NH2 2.74Å; D625-R799 PolarHBondContact OD2-NH2 3.26Å
626I92.1Very high94.4Very high8 Ų819.4 Ų19.44%0.04110%0.095CC..THydrogen-bonded Turntrans-67.2-31.4-179.4-171.1171.5000112.6S624 S628 K629 N633 Y760 K763 F764S624-I626 PolarHBondContact O-N 2.99Å; S624-I626 VanDerWaalsContact O-N 3.08Å; S624-I626 WeakPolarHBondContact OG-CG2 3.44Å; I626-S628 VanDerWaalsContact C-N 3.28Å; I626-S628 PolarHBondContact O-N 3.45Å; I626-K629 PolarHBondContact O-N 3.33Å; I626-N633 VanDerWaalsContact CG1-ND2 3.3Å; I626-N633 WeakPolarHBondContact CG1-ND2 3.35Å; I626-N633 WeakPolarHBondContact O-CB 3.33Å; I626-N633 PolarHBondContact O-ND2 2.92Å; I626-Y760 HydrophobicContact CD1-CE2 4.49Å; I626-Y760 HydrophobicContact CG1-CE2 4.45Å; I626-Y760 HydrophobicContact CG2-CE2 4.47Å; I626-K763 HydrophobicContact CD1-CB 4.05Å; I626-K763 HydrophobicContact CD1-CD 3.24Å; I626-K763 HydrophobicContact CD1-CG 3.38Å; I626-F764 HydrophobicContact CG2-CB 4.48Å; I626-F764 HydrophobicContact CG2-CD2 4.27Å
627V92.5Very high94.3Very high0 Ų019.4 Ų19.40%010%0.095CC..THydrogen-bonded Turntrans-54.9-45.4-174.6-178.70000110.9S624 D625 M634 H637 F666 N669 Y760 F764S624-V627 WeakPolarHBondContact O-CG2 3.43Å; S624-V627 PolarHBondContact O-N 3.47Å; D625-V627 VanDerWaalsContact C-N 3.28Å; D625-V627 PolarHBondContact O-N 2.93Å; V627-M634 PolarHBondContact O-N 3.41Å; V627-H637 HydrophobicContact CG1-CB 3.96Å; V627-F666 HydrophobicContact CG1-CE1 3.99Å; V627-F666 HydrophobicContact CG1-CE2 4.48Å; V627-F666 HydrophobicContact CG1-CZ 3.68Å; V627-N669 HydrophobicContact CB-CB 4.03Å; V627-N669 HydrophobicContact CG2-CB 4.48Å; V627-N669 WeakPolarHBondContact CG2-O 3.35Å; V627-Y760 WeakPolarHBondContact CG2-OH 3.31Å; V627-F764 HydrophobicContact CG2-CD2 4.05Å; V627-F764 HydrophobicContact CG2-CE2 4.04Å
628S88.3Confident94.1Very high4 Ų420.2 Ų20.23%0.02810%0.1CC..THydrogen-bonded Turntrans-930.3-175.961.70000115I626 T630 N669 E738 Y740I626-S628 VanDerWaalsContact C-N 3.28Å; I626-S628 PolarHBondContact O-N 3.45Å; S628-T630 PolarHBondContact O-N 3.09Å; S628-N669 WeakPolarHBondContact CB-ND2 3.41Å; S628-N669 WeakPolarHBondContact CB-OD1 3.42Å; S628-N669 PolarHBondContact OG-ND2 3.25Å; S628-N669 VanDerWaalsContact OG-ND2 3.14Å; S628-E738 WeakPolarHBondContact CB-OE2 3.39Å; S628-E738 PolarHBondContact OG-OE2 3.34Å; S628-Y740 PolarHBondContact O-OH 2.84Å
629K89.5Confident93.8Very high118 Ų11820.4 Ų20.451%0.51310%0.1SC..THydrogen-bonded Turntrans-67.8-34.2-175.8-84.2177.5-173.2163.30114D625 I626 Y740D625-K629 WeakPolarHBondContact O-CG 3.42Å; D625-K629 WeakPolarHBondContact OD1-CE 3.31Å; D625-K629 IonicContact OD1-NZ 2.61Å; D625-K629 PolarHBondContact OD1-NZ 2.65Å; D625-K629 WeakPolarHBondContact OD2-CE 3.35Å; D625-K629 IonicContact OD2-NZ 2.72Å; D625-K629 PolarHBondContact OD2-NZ 3.37Å; I626-K629 PolarHBondContact O-N 3.33Å; K629-Y740 PolarHBondContact O-OH 2.88Å
630T93.6Very high93.5Very high50 Ų5020.8 Ų20.831%0.30710%0.102SC..  trans-143.3155.1179.4750000109.7S628 E632 N633 M634 Y740S628-T630 PolarHBondContact O-N 3.09Å; T630-E632 VanDerWaalsContact CB-OE2 3.29Å; T630-E632 WeakPolarHBondContact CB-OE2 3.3Å; T630-E632 PolarHBondContact O-N 3.12Å; T630-E632 PolarHBondContact OG1-OE2 3.31Å; T630-N633 PolarHBondContact O-N 2.96Å; T630-N633 PolarHBondContact OG1-N 3.4Å; T630-M634 PolarHBondContact O-N 2.95Å; T630-M634 VanDerWaalsContact O-N 3.13Å; T630-Y740 VanDerWaalsContact CA-OH 3.22Å; T630-Y740 WeakPolarHBondContact CA-OH 3.44Å; T630-Y740 PolarHBondContact N-OH 3.25Å
631K92.8Very high93.3Very high55 Ų5521.4 Ų21.424%0.23911%0.106CC..Hα-helixtrans-61.2-32.717461.5-179.3179.7178.30111.8M634 A635 Y740 D744 I745 A748K631-M634 PolarHBondContact O-N 2.79Å; K631-A635 WeakPolarHBondContact O-CB 3.44Å; K631-A635 PolarHBondContact O-N 2.83Å; K631-Y740 HydrophobicContact CB-CD1 3.76Å; K631-Y740 HydrophobicContact CB-CD2 4.24Å; K631-Y740 HydrophobicContact CB-CE1 4.01Å; K631-Y740 HydrophobicContact CB-CE2 4.46Å; K631-Y740 HydrophobicContact CB-CG 3.89Å; K631-D744 HydrophobicContact CD-CB 3.93Å; K631-I745 HydrophobicContact CB-CD1 4.2Å; K631-A748 HydrophobicContact CG-CB 4.24Å
632E96.3Very high93.1Very high75 Ų7523.1 Ų23.135%0.3511%0.113SC..Hα-helixtrans-65.9-43.2176.4-62.373.5-158.600111.2T630 M634 A635 L636 A748 L752T630-E632 VanDerWaalsContact CB-OE2 3.29Å; T630-E632 WeakPolarHBondContact CB-OE2 3.3Å; T630-E632 PolarHBondContact O-N 3.12Å; T630-E632 PolarHBondContact OG1-OE2 3.31Å; E632-M634 PolarHBondContact O-N 2.81Å; E632-A635 PolarHBondContact O-N 3.25Å; E632-L636 WeakPolarHBondContact O-CB 3.39Å; E632-L636 WeakPolarHBondContact O-CG 3.4Å; E632-L636 PolarHBondContact O-N 3.25Å; E632-A748 HydrophobicContact CG-CB 4.37Å; E632-L752 HydrophobicContact CB-CD2 4.46Å
633N95.6Very high92.7Very high22 Ų2223.3 Ų23.312%0.11812%0.115CC..Hα-helixtrans-64.7-40.6176.2-72.4-12.4000111.8I626 T630 L636 H637 Y760I626-N633 VanDerWaalsContact CG1-ND2 3.3Å; I626-N633 WeakPolarHBondContact CG1-ND2 3.35Å; I626-N633 WeakPolarHBondContact O-CB 3.33Å; I626-N633 PolarHBondContact O-ND2 2.92Å; T630-N633 PolarHBondContact O-N 2.96Å; T630-N633 PolarHBondContact OG1-N 3.4Å; N633-L636 PolarHBondContact O-N 2.93Å; N633-H637 WeakPolarHBondContact O-CB 3.3Å; N633-H637 PolarHBondContact O-N 3.35Å; N633-Y760 HydrophobicContact CB-CD2 4.29Å; N633-Y760 HydrophobicContact CB-CE2 3.7Å
634M94Very high92.5Very high27 Ų2723.1 Ų23.113%0.13311%0.114CC..Hα-helixtrans-64.1-43.6176.9-173.1175.7-71.700110.9V627 T630 K631 E632 H637 T638 F666 Y740 I745V627-M634 PolarHBondContact O-N 3.41Å; T630-M634 PolarHBondContact O-N 2.95Å; T630-M634 VanDerWaalsContact O-N 3.13Å; K631-M634 PolarHBondContact O-N 2.79Å; E632-M634 PolarHBondContact O-N 2.81Å; M634-H637 PolarHBondContact O-N 2.91Å; M634-T638 PolarHBondContact O-N 3.42Å; M634-T638 PolarHBondContact O-OG1 3.06Å; M634-T638 VanDerWaalsContact O-OG1 3.14Å; M634-F666 HydrophobicContact CG-CE1 4.12Å; M634-F666 HydrophobicContact CG-CZ 4.43Å; M634-Y740 HydrophobicContact CE-CD2 3.72Å; M634-Y740 HydrophobicContact CE-CE2 4.12Å; M634-Y740 HydrophobicContact SD-CD2 3.88Å; M634-I745 HydrophobicContact CB-CD1 4Å; M634-I745 HydrophobicContact CG-CD1 4Å; M634-I745 HydrophobicContact SD-CD1 3.84Å
635A95.1Very high92.4Very high0 Ų025.4 Ų25.40%013%0.126CC..Hα-helixtrans-62.3-44174.700000112.4K631 E632 T638 L639 I745 A748 L749 L752K631-A635 WeakPolarHBondContact O-CB 3.44Å; K631-A635 PolarHBondContact O-N 2.83Å; E632-A635 PolarHBondContact O-N 3.25Å; A635-T638 PolarHBondContact O-N 3.36Å; A635-L639 WeakPolarHBondContact O-CG 3.43Å; A635-L639 PolarHBondContact O-N 3.06Å; A635-I745 HydrophobicContact CB-CG2 4.32Å; A635-A748 HydrophobicContact CB-CB 3.97Å; A635-L749 HydrophobicContact CB-CD2 3.88Å; A635-L749 HydrophobicContact CB-CG 3.95Å; A635-L752 HydrophobicContact CB-CD1 3.8Å
636L95.2Very high92.2Very high10 Ų1025.5 Ų25.55%0.05213%0.126CC..Hα-helixtrans-64-38.6175.9-72.9166000112.1E632 N633 L639 M640 L752 D756 L757 Y760E632-L636 WeakPolarHBondContact O-CB 3.39Å; E632-L636 WeakPolarHBondContact O-CG 3.4Å; E632-L636 PolarHBondContact O-N 3.25Å; N633-L636 PolarHBondContact O-N 2.93Å; L636-L639 PolarHBondContact O-N 2.82Å; L636-M640 WeakPolarHBondContact O-CB 3.47Å; L636-M640 PolarHBondContact O-N 2.95Å; L636-L752 HydrophobicContact CD1-CD2 4.1Å; L636-L752 HydrophobicContact CD2-CB 4.32Å; L636-L752 HydrophobicContact CD2-CD1 3.73Å; L636-L752 HydrophobicContact CD2-CD2 3.91Å; L636-L752 HydrophobicContact CD2-CG 4.18Å; L636-L752 HydrophobicContact CG-CD1 3.78Å; L636-L752 HydrophobicContact CG-CD2 3.88Å; L636-L752 HydrophobicContact CG-CG 4.4Å; L636-D756 HydrophobicContact CD1-CB 4.25Å; L636-D756 HydrophobicContact CD2-CB 3.98Å; L636-L757 HydrophobicContact CD2-CB 4.11Å; L636-L757 HydrophobicContact CD2-CD1 4.32Å; L636-L757 WeakPolarHBondContact O-CD1 3.46Å; L636-Y760 HydrophobicContact CB-CD1 3.77Å; L636-Y760 HydrophobicContact CB-CD2 4.05Å; L636-Y760 HydrophobicContact CB-CE1 4.29Å; L636-Y760 HydrophobicContact CB-CG 3.65Å; L636-Y760 HydrophobicContact CD1-CD2 4.22Å; L636-Y760 HydrophobicContact CD1-CG 4.11Å; L636-Y760 HydrophobicContact CG-CG 4.45Å
637H95.1Very high91.8Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-64.4-44.6174.9-159.872.1000111.6V627 N633 M634 L639 M640 V641 F666 G670 Y760 F764V627-H637 HydrophobicContact CG1-CB 3.96Å; N633-H637 WeakPolarHBondContact O-CB 3.3Å; N633-H637 PolarHBondContact O-N 3.35Å; M634-H637 PolarHBondContact O-N 2.91Å; H637-L639 VanDerWaalsContact C-N 3.33Å; H637-L639 PolarHBondContact O-N 2.99Å; H637-M640 WeakPolarHBondContact ND1-CE 3.47Å; H637-M640 WeakPolarHBondContact O-CB 3.4Å; H637-M640 PolarHBondContact O-N 3Å; H637-V641 WeakPolarHBondContact O-CG2 3.25Å; H637-V641 PolarHBondContact O-N 2.95Å; H637-F666 HydrophobicContact CB-CE1 4.5Å; H637-F666 AromaticContact CD2-CD1 3.53Å; H637-F666 AromaticContact CD2-CE1 3.82Å; H637-F666 AromaticContact CD2-CG 3.93Å; H637-G670 PolarHBondContact NE2-O 3.28Å; H637-G670 VanDerWaalsContact NE2-O 3.1Å; H637-Y760 HydrophobicContact CB-CE1 3.9Å; H637-Y760 WeakPolarHBondContact CB-OH 3.43Å; H637-Y760 AromaticContact ND1-CE1 3.74Å; H637-Y760 AromaticContact ND1-CZ 3.89Å; H637-Y760 PolarHBondContact ND1-OH 3.4Å; H637-Y760 VanDerWaalsContact ND1-OH 3.14Å; H637-F764 AromaticContact CE1-CE2 3.63Å; H637-F764 AromaticContact CE1-CZ 3.78Å
638T93.2Very high91.6Very high17 Ų1726 Ų2610%0.10413%0.13CC..Hα-helixtrans-58.5-44.8174.4-64.30000111.3M634 A635 V641 Y642 V712 Y716M634-T638 PolarHBondContact O-N 3.42Å; M634-T638 PolarHBondContact O-OG1 3.06Å; M634-T638 VanDerWaalsContact O-OG1 3.14Å; A635-T638 PolarHBondContact O-N 3.36Å; T638-V641 PolarHBondContact O-N 2.79Å; T638-Y642 WeakPolarHBondContact O-CB 3.41Å; T638-Y642 PolarHBondContact O-N 3.45Å; T638-V712 HydrophobicContact CG2-CG1 3.64Å; T638-Y716 HydrophobicContact CG2-CE2 3.55Å; T638-Y716 PolarHBondContact OG1-OH 3.34Å
639L92.6Very high91.4Very high3 Ų327.1 Ų27.12%0.01614%0.138CC..Hα-helixtrans-62.3-43.6175.8-72.7171.5000112.2A635 L636 H637 Y642 G643 F705 R709 V712 L749 L752 L757A635-L639 WeakPolarHBondContact O-CG 3.43Å; A635-L639 PolarHBondContact O-N 3.06Å; L636-L639 PolarHBondContact O-N 2.82Å; H637-L639 VanDerWaalsContact C-N 3.33Å; H637-L639 PolarHBondContact O-N 2.99Å; L639-Y642 PolarHBondContact O-N 2.91Å; L639-G643 PolarHBondContact O-N 3.35Å; L639-F705 HydrophobicContact CD1-CE2 4.13Å; L639-F705 HydrophobicContact CD1-CZ 4.32Å; L639-R709 HydrophobicContact CD2-CB 4.1Å; L639-R709 HydrophobicContact CD2-CG 4.47Å; L639-V712 HydrophobicContact CD2-CB 3.95Å; L639-V712 HydrophobicContact CD2-CG1 4.32Å; L639-V712 HydrophobicContact CD2-CG2 3.94Å; L639-L749 HydrophobicContact CD1-CD2 3.69Å; L639-L749 HydrophobicContact CD2-CD2 3.88Å; L639-L749 HydrophobicContact CG-CD2 3.61Å; L639-L752 HydrophobicContact CD1-CB 4.47Å; L639-L752 HydrophobicContact CD1-CD1 3.69Å; L639-L757 HydrophobicContact CB-CD1 4.32Å
640M92.4Very high91.1Very high10 Ų1023.5 Ų23.55%0.04913%0.126CC..Hα-helixtrans-59-50.6176.8-173.3-177.771.900110.9L636 H637 Y642 G643 L644 L757 K761 F764L636-M640 WeakPolarHBondContact O-CB 3.47Å; L636-M640 PolarHBondContact O-N 2.95Å; H637-M640 WeakPolarHBondContact ND1-CE 3.47Å; H637-M640 WeakPolarHBondContact O-CB 3.4Å; H637-M640 PolarHBondContact O-N 3Å; M640-Y642 VanDerWaalsContact C-N 3.32Å; M640-Y642 PolarHBondContact O-N 3.44Å; M640-G643 PolarHBondContact O-N 3.44Å; M640-L644 HydrophobicContact CG-CD1 4.11Å; M640-L644 HydrophobicContact CG-CG 4.45Å; M640-L644 WeakPolarHBondContact O-CB 3.41Å; M640-L644 VanDerWaalsContact O-CG 3.23Å; M640-L644 WeakPolarHBondContact O-CG 3.46Å; M640-L644 PolarHBondContact O-N 3.11Å; M640-L757 HydrophobicContact CB-CD1 3.9Å; M640-K761 HydrophobicContact SD-CB 4.2Å; M640-K761 HydrophobicContact SD-CG 3.99Å; M640-F764 HydrophobicContact CE-CD1 3.87Å; M640-F764 HydrophobicContact CE-CE1 3.99Å; M640-F764 HydrophobicContact CE-CG 4.46Å; M640-F764 HydrophobicContact SD-CD1 4.42Å
641V93.2Very high90.7Very high13 Ų1323.4 Ų23.48%0.07912%0.123CC..Hα-helixtrans-61-41.8178.9173.70000111.3H637 T638 N645 F666 L671H637-V641 WeakPolarHBondContact O-CG2 3.25Å; H637-V641 PolarHBondContact O-N 2.95Å; T638-V641 PolarHBondContact O-N 2.79Å; V641-N645 PolarHBondContact O-N 2.84Å; V641-N645 PolarHBondContact O-ND2 3.04Å; V641-F666 HydrophobicContact CG2-CB 4.38Å; V641-L671 HydrophobicContact CG2-CD1 3.68Å
642Y90.6Very high90.5Very high36 Ų3621.3 Ų21.314%0.14112%0.115CC..Hα-helixtrans-63.7-49.2177.6-173-91.3000111.7T638 L639 M640 L644 N645 Q646 Y708 A711 V712 I715T638-Y642 WeakPolarHBondContact O-CB 3.41Å; T638-Y642 PolarHBondContact O-N 3.45Å; L639-Y642 PolarHBondContact O-N 2.91Å; M640-Y642 VanDerWaalsContact C-N 3.32Å; M640-Y642 PolarHBondContact O-N 3.44Å; Y642-L644 VanDerWaalsContact C-N 3.35Å; Y642-L644 PolarHBondContact O-N 3.06Å; Y642-N645 PolarHBondContact O-N 3.37Å; Y642-Q646 HydrophobicContact CD1-CG 4Å; Y642-Q646 HydrophobicContact CE1-CG 3.64Å; Y642-Q646 WeakPolarHBondContact O-CG 3.45Å; Y642-Q646 PolarHBondContact O-N 3.36Å; Y642-Y708 HydrophobicContact CD1-CD1 4.27Å; Y642-Y708 HydrophobicContact CD1-CG 4.14Å; Y642-Y708 HydrophobicContact CE1-CD1 4.01Å; Y642-Y708 HydrophobicContact CE1-CG 4.32Å; Y642-A711 HydrophobicContact CE1-CB 3.88Å; Y642-A711 WeakPolarHBondContact OH-CB 3.4Å; Y642-V712 HydrophobicContact CD1-CG2 3.93Å; Y642-V712 HydrophobicContact CD2-CG2 3.89Å; Y642-V712 HydrophobicContact CG-CG2 3.53Å; Y642-I715 HydrophobicContact CD2-CD1 4.09Å; Y642-I715 HydrophobicContact CE2-CD1 3.52Å
643G88.9Confident90.2Very high5 Ų519.5 Ų19.55%0.05211%0.105CC..Hα-helixtrans-62.4-39.217800000113.1L639 M640 Q646 S647L639-G643 PolarHBondContact O-N 3.35Å; M640-G643 PolarHBondContact O-N 3.44Å; G643-Q646 PolarHBondContact O-N 3Å; G643-S647 PolarHBondContact O-N 3.31Å; G643-S647 PolarHBondContact O-OG 3.04Å
644L90.4Very high90Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-60.8-46.3173.5-73.5176.2000111.3M640 Y642 Q646 S647 L648 L671 I693M640-L644 HydrophobicContact CG-CD1 4.11Å; M640-L644 HydrophobicContact CG-CG 4.45Å; M640-L644 WeakPolarHBondContact O-CB 3.41Å; M640-L644 VanDerWaalsContact O-CG 3.23Å; M640-L644 WeakPolarHBondContact O-CG 3.46Å; M640-L644 PolarHBondContact O-N 3.11Å; Y642-L644 VanDerWaalsContact C-N 3.35Å; Y642-L644 PolarHBondContact O-N 3.06Å; L644-Q646 VanDerWaalsContact C-N 3.33Å; L644-Q646 PolarHBondContact O-N 3.38Å; L644-S647 PolarHBondContact O-N 3.34Å; L644-S647 PolarHBondContact O-OG 3.04Å; L644-S647 VanDerWaalsContact O-OG 3.09Å; L644-L648 HydrophobicContact CB-CD1 4.47Å; L644-L648 WeakPolarHBondContact O-CB 3.39Å; L644-L648 WeakPolarHBondContact O-CG 3.28Å; L644-L648 PolarHBondContact O-N 3.34Å; L644-L671 HydrophobicContact CD1-CD1 4.4Å; L644-L671 HydrophobicContact CD1-CD2 4.21Å; L644-I693 HydrophobicContact CD1-CG1 4.27Å; L644-I693 HydrophobicContact CD1-CG2 4.28Å; L644-I693 HydrophobicContact CD2-CB 4.32Å; L644-I693 HydrophobicContact CD2-CG1 3.93Å; L644-I693 HydrophobicContact CD2-CG2 4.41Å
645N89.5Confident89.9Confident51 Ų5118.7 Ų18.727%0.27310%0.1SC..Hα-helixtrans-62.9-38.6176.5-81.2-46.1000112.7V641 Y642 S649 V664V641-N645 PolarHBondContact O-N 2.84Å; V641-N645 PolarHBondContact O-ND2 3.04Å; Y642-N645 PolarHBondContact O-N 3.37Å; N645-S649 WeakPolarHBondContact O-CB 3.49Å; N645-S649 PolarHBondContact O-N 3.25Å; N645-V664 PolarHBondContact ND2-O 3.25Å; N645-V664 PolarHBondContact OD1-O 2.87Å
646Q84.6Confident89.7Confident32 Ų3220.4 Ų20.415%0.1512%0.118CC..Hα-helixtrans-66.5-36.2178.4-70.3-54.2-37.800113.6K345 V351 Y642 G643 L644 S649 Y708K345-Q646 PolarHBondContact NZ-O 2.58Å; V351-Q646 PolarHBondContact O-OE1 3.33Å; Y642-Q646 HydrophobicContact CD1-CG 4Å; Y642-Q646 HydrophobicContact CE1-CG 3.64Å; Y642-Q646 WeakPolarHBondContact O-CG 3.45Å; Y642-Q646 PolarHBondContact O-N 3.36Å; G643-Q646 PolarHBondContact O-N 3Å; L644-Q646 VanDerWaalsContact C-N 3.33Å; L644-Q646 PolarHBondContact O-N 3.38Å; Q646-S649 PolarHBondContact O-OG 2.95Å; Q646-Y708 HydrophobicContact CB-CE1 3.94Å; Q646-Y708 HydrophobicContact CG-CD1 4.34Å; Q646-Y708 HydrophobicContact CG-CE1 3.96Å
647S84.7Confident89.4Confident18 Ų1822.3 Ų22.313%0.12613%0.126CC..Hα-helixtrans-83.3-38.8179.4570000112.1G643 L644 S649 T650 H692G643-S647 PolarHBondContact O-N 3.31Å; G643-S647 PolarHBondContact O-OG 3.04Å; L644-S647 PolarHBondContact O-N 3.34Å; L644-S647 PolarHBondContact O-OG 3.04Å; L644-S647 VanDerWaalsContact O-OG 3.09Å; S647-S649 VanDerWaalsContact C-N 3.32Å; S647-S649 PolarHBondContact O-N 3.41Å; S647-T650 PolarHBondContact O-N 3.26Å; S647-H692 VanDerWaalsContact CB-NE2 3.26Å; S647-H692 WeakPolarHBondContact CB-NE2 3.33Å; S647-H692 PolarHBondContact OG-NE2 2.93Å
648L88.6Confident89.3Confident0 Ų022.6 Ų22.60%013%0.128CC..Hα-helixtrans-63.2-36.2174.8-73.4170.7000111.7L644 T650 I651 T652 V664 I689 H692L644-L648 HydrophobicContact CB-CD1 4.47Å; L644-L648 WeakPolarHBondContact O-CB 3.39Å; L644-L648 WeakPolarHBondContact O-CG 3.28Å; L644-L648 PolarHBondContact O-N 3.34Å; L648-T650 PolarHBondContact O-N 3.39Å; L648-T650 VanDerWaalsContact O-N 3.1Å; L648-I651 PolarHBondContact O-N 3.48Å; L648-T652 HydrophobicContact CB-CG2 4.36Å; L648-T652 HydrophobicContact CD2-CG2 4.14Å; L648-T652 WeakPolarHBondContact O-CB 3.45Å; L648-T652 PolarHBondContact O-N 2.92Å; L648-T652 PolarHBondContact O-OG1 3.43Å; L648-V664 HydrophobicContact CD1-CB 4.44Å; L648-V664 HydrophobicContact CD1-CG2 3.72Å; L648-I689 HydrophobicContact CD1-CG2 4.25Å; L648-I689 HydrophobicContact CD2-CB 4.38Å; L648-I689 HydrophobicContact CD2-CG1 4.28Å; L648-I689 HydrophobicContact CD2-CG2 4.05Å; L648-H692 HydrophobicContact CD2-CB 4.27Å; L648-H692 VanDerWaalsContact CD2-CD2 3.49Å; L648-H692 WeakPolarHBondContact CD2-CD2 3.46Å
649S83.7Confident89.2Confident28 Ų2823.6 Ų23.620%0.19613%0.133CC..Hα-helixtrans-53.1-38.1-17995.60000113E335 K345 N645 Q646 S647 Y653E335-S649 VanDerWaalsContact OE2-CB 3.24Å; E335-S649 WeakPolarHBondContact OE2-CB 3.4Å; E335-S649 PolarHBondContact OE2-OG 3.5Å; K345-S649 PolarHBondContact NZ-OG 3.29Å; K345-S649 VanDerWaalsContact NZ-OG 3.16Å; N645-S649 WeakPolarHBondContact O-CB 3.49Å; N645-S649 PolarHBondContact O-N 3.25Å; Q646-S649 PolarHBondContact O-OG 2.95Å; S647-S649 VanDerWaalsContact C-N 3.32Å; S647-S649 PolarHBondContact O-N 3.41Å; S649-Y653 WeakPolarHBondContact O-CB 3.4Å; S649-Y653 PolarHBondContact O-N 2.95Å
650T82.2Confident89.2Confident41 Ų4123.5 Ų23.525%0.25213%0.133SC..Hα-helixtrans-75.7-37.9177.6-63.10000112.8E335 S647 L648E335-T650 WeakPolarHBondContact O-CG2 3.29Å; E335-T650 PolarHBondContact O-OG1 3.28Å; S647-T650 PolarHBondContact O-N 3.26Å; L648-T650 PolarHBondContact O-N 3.39Å; L648-T650 VanDerWaalsContact O-N 3.1Å
651I84.9Confident89.3Confident48 Ų4827 Ų2725%0.24616%0.155CC..Hα-helixtrans-79.6-35.7-174.9-66.3169.8000111.6L648 T688 H692L648-I651 PolarHBondContact O-N 3.48Å; I651-T688 HydrophobicContact CG2-CG2 3.88Å; I651-H692 HydrophobicContact CD1-CB 4.29Å; I651-H692 WeakPolarHBondContact CD1-CE1 3.24Å; I651-H692 VanDerWaalsContact CD1-CG 3.46Å; I651-H692 WeakPolarHBondContact CD1-ND1 3.32Å
652T89.9Confident89.4Confident12 Ų1228 Ų287%0.07416%0.159CC..SBendtrans-94.3-0.4-177.167.70000112.4L648 E654 A655 G656 Q662 F685 I689L648-T652 HydrophobicContact CB-CG2 4.36Å; L648-T652 HydrophobicContact CD2-CG2 4.14Å; L648-T652 WeakPolarHBondContact O-CB 3.45Å; L648-T652 PolarHBondContact O-N 2.92Å; L648-T652 PolarHBondContact O-OG1 3.43Å; T652-E654 PolarHBondContact O-N 3.3Å; T652-A655 WeakPolarHBondContact O-CA 3.36Å; T652-A655 WeakPolarHBondContact O-CB 3.48Å; T652-A655 PolarHBondContact O-N 3.06Å; T652-A655 VanDerWaalsContact O-N 3.11Å; T652-G656 PolarHBondContact O-N 2.77Å; T652-Q662 HydrophobicContact CG2-CG 4.19Å; T652-F685 HydrophobicContact CG2-CE2 3.65Å; T652-F685 HydrophobicContact CG2-CZ 4.15Å; T652-I689 HydrophobicContact CG2-CD1 4.39Å; T652-I689 HydrophobicContact CG2-CG1 3.9Å
653Y89.7Confident89.5Confident37 Ų3729.9 Ų29.915%0.14517%0.171CC..Hα-helixtrans-58.1-49.7-177.9-169.9-95.5000112.4H334 E335 S649 A655 G656 E657H334-Y653 HydrophobicContact CB-CE1 4.3Å; H334-Y653 AromaticContact CD2-CD1 3.8Å; H334-Y653 AromaticContact CD2-CE1 3.21Å; H334-Y653 WeakPolarHBondContact CD2-CE1 3.36Å; H334-Y653 AromaticContact CE1-CD1 3.66Å; H334-Y653 AromaticContact CE1-CE1 3.9Å; H334-Y653 AromaticContact CG-CE1 3.63Å; H334-Y653 AromaticContact NE2-CD1 3.51Å; H334-Y653 AromaticContact NE2-CE1 3.42Å; H334-Y653 WeakPolarHBondContact NE2-CE1 3.3Å; E335-Y653 HydrophobicContact CB-CD2 3.4Å; E335-Y653 HydrophobicContact CB-CE2 3.92Å; E335-Y653 HydrophobicContact CB-CG 3.81Å; E335-Y653 HydrophobicContact CG-CD2 3.58Å; E335-Y653 HydrophobicContact CG-CE2 3.65Å; E335-Y653 HydrophobicContact CG-CG 4.45Å; S649-Y653 WeakPolarHBondContact O-CB 3.4Å; S649-Y653 PolarHBondContact O-N 2.95Å; Y653-A655 PolarHBondContact O-N 3.44Å; Y653-G656 WeakPolarHBondContact O-CA 3.39Å; Y653-G656 PolarHBondContact O-N 2.9Å; Y653-E657 HydrophobicContact CD1-CG 4.19Å; Y653-E657 HydrophobicContact CE1-CG 3.75Å; Y653-E657 PolarHBondContact O-N 3.43Å
654E90.4Very high89.8Confident31 Ų3129.7 Ų29.715%0.14517%0.169CC..Hα-helixtrans-58.8-38.2176.9-66.8171.3177.600111N566 F568 T652 E657 A658N566-E654 PolarHBondContact ND2-O 3.41Å; N566-E654 PolarHBondContact OD1-O 3.48Å; F568-E654 HydrophobicContact CD2-CB 4.05Å; T652-E654 PolarHBondContact O-N 3.3Å; E654-E657 PolarHBondContact O-N 2.98Å; E654-A658 PolarHBondContact O-N 3.33Å; E654-A658 VanDerWaalsContact O-N 3.16Å
655A92.8Very high90Very high0 Ų030.8 Ų30.80%018%0.178CC..Hα-helixtrans-65.3-42.1175.400000111.8F568 T652 Y653 E657 A658 D659 L660 F685F568-A655 HydrophobicContact CB-CB 4.2Å; F568-A655 HydrophobicContact CD1-CB 4.03Å; F568-A655 HydrophobicContact CD2-CB 3.58Å; F568-A655 HydrophobicContact CE1-CB 4.28Å; F568-A655 HydrophobicContact CE2-CB 3.81Å; F568-A655 HydrophobicContact CG-CB 3.68Å; F568-A655 HydrophobicContact CZ-CB 4.16Å; T652-A655 WeakPolarHBondContact O-CA 3.36Å; T652-A655 WeakPolarHBondContact O-CB 3.48Å; T652-A655 PolarHBondContact O-N 3.06Å; T652-A655 VanDerWaalsContact O-N 3.11Å; Y653-A655 PolarHBondContact O-N 3.44Å; A655-E657 PolarHBondContact O-N 3.01Å; A655-A658 CarbonylContact O-C 3.54Å; A655-A658 VanDerWaalsContact O-C 3.32Å; A655-A658 WeakPolarHBondContact O-CA 3.13Å; A655-A658 WeakPolarHBondContact O-CB 3.37Å; A655-A658 PolarHBondContact O-N 2.94Å; A655-D659 PolarHBondContact O-N 3.44Å; A655-L660 CarbonylContact C-O 3.55Å; A655-L660 HydrophobicContact CB-CB 3.97Å; A655-L660 HydrophobicContact CB-CD1 4.27Å; A655-L660 WeakPolarHBondContact O-CA 3.36Å; A655-L660 WeakPolarHBondContact O-CB 3.27Å; A655-L660 PolarHBondContact O-N 2.86Å; A655-F685 HydrophobicContact CB-CD2 3.45Å; A655-F685 VanDerWaalsContact CB-CD2 3.45Å; A655-F685 HydrophobicContact CB-CE2 3.19Å; A655-F685 HydrophobicContact CB-CG 4.32Å; A655-F685 HydrophobicContact CB-CZ 3.88Å
656G91.5Very high90.1Very high36 Ų3631.7 Ų31.737%0.37118%0.179SC..Hα-helixtrans-60.2-42.1175.700000112.8T652 Y653 A658 D659 L660T652-G656 PolarHBondContact O-N 2.77Å; Y653-G656 WeakPolarHBondContact O-CA 3.39Å; Y653-G656 PolarHBondContact O-N 2.9Å; G656-A658 PolarHBondContact O-N 2.87Å; G656-D659 PolarHBondContact O-N 3.34Å; G656-L660 WeakPolarHBondContact CA-O 3.45Å; G656-L660 PolarHBondContact N-O 2.89Å
657E89.5Confident90.1Very high51 Ų5133.5 Ų33.524%0.23819%0.185CC..Hα-helixtrans-60.2-38172.6-69-66.9116.600110.9S330 V448 Y653 E654 A655 D659S330-E657 PolarHBondContact OG-OE2 3.32Å; V448-E657 WeakPolarHBondContact CG1-O 3.26Å; Y653-E657 HydrophobicContact CD1-CG 4.19Å; Y653-E657 HydrophobicContact CE1-CG 3.75Å; Y653-E657 PolarHBondContact O-N 3.43Å; E654-E657 PolarHBondContact O-N 2.98Å; A655-E657 PolarHBondContact O-N 3.01Å; E657-D659 PolarHBondContact O-N 3.49Å
658A91.7Very high89.8Confident5 Ų533.7 Ų33.74%0.04118%0.184CC..THydrogen-bonded Turntrans-79.917175.400000114.8F568 L569 E654 A655 G656 L660F568-A658 HydrophobicContact CB-CB 3.87Å; F568-A658 WeakPolarHBondContact O-CB 2.96Å; L569-A658 HydrophobicContact CD2-CB 4.3Å; E654-A658 PolarHBondContact O-N 3.33Å; E654-A658 VanDerWaalsContact O-N 3.16Å; A655-A658 CarbonylContact O-C 3.54Å; A655-A658 VanDerWaalsContact O-C 3.32Å; A655-A658 WeakPolarHBondContact O-CA 3.13Å; A655-A658 WeakPolarHBondContact O-CB 3.37Å; A655-A658 PolarHBondContact O-N 2.94Å; G656-A658 PolarHBondContact O-N 2.87Å; A658-L660 VanDerWaalsContact C-N 3.29Å; A658-L660 PolarHBondContact O-N 3.46Å
659D91Very high89.6Confident38 Ų3834.3 Ų34.320%0.20319%0.188CC..THydrogen-bonded Turntrans62.631.3179.2-156.240.8000114.1N452 K615 A655 G656 E657 G677 F678N452-D659 WeakPolarHBondContact OD1-CB 3.39Å; K615-D659 VanDerWaalsContact CE-OD2 3.31Å; K615-D659 WeakPolarHBondContact CE-OD2 3.38Å; K615-D659 IonicContact NZ-OD2 2.7Å; K615-D659 PolarHBondContact NZ-OD2 2.97Å; A655-D659 PolarHBondContact O-N 3.44Å; G656-D659 PolarHBondContact O-N 3.34Å; E657-D659 PolarHBondContact O-N 3.49Å; D659-G677 WeakPolarHBondContact O-CA 3.43Å; D659-F678 HydrophobicContact CB-CD2 4.18Å; D659-F678 HydrophobicContact CB-CE2 3.86Å
660L93.8Very high90Very high1 Ų133 Ų331%0.00518%0.178CC..  trans-105.5104.8166.8-59.8171000108.7F568 A655 G656 A658 S676 F678 K681 L682 F685F568-L660 HydrophobicContact CB-CD1 3.86Å; F568-L660 HydrophobicContact CD1-CD1 3.81Å; F568-L660 HydrophobicContact CG-CD1 4.17Å; A655-L660 CarbonylContact C-O 3.55Å; A655-L660 HydrophobicContact CB-CB 3.97Å; A655-L660 HydrophobicContact CB-CD1 4.27Å; A655-L660 WeakPolarHBondContact O-CA 3.36Å; A655-L660 WeakPolarHBondContact O-CB 3.27Å; A655-L660 PolarHBondContact O-N 2.86Å; G656-L660 WeakPolarHBondContact CA-O 3.45Å; G656-L660 PolarHBondContact N-O 2.89Å; A658-L660 VanDerWaalsContact C-N 3.29Å; A658-L660 PolarHBondContact O-N 3.46Å; L660-S676 CarbonylContact C-O 3.57Å; L660-S676 WeakPolarHBondContact CA-O 3.32Å; L660-F678 WeakPolarHBondContact CD2-O 3.37Å; L660-K681 HydrophobicContact CD1-CB 3.75Å; L660-L682 HydrophobicContact CD2-CD1 4.25Å; L660-F685 HydrophobicContact CB-CD1 3.88Å; L660-F685 HydrophobicContact CB-CE1 3.95Å; L660-F685 HydrophobicContact CB-CG 4.21Å; L660-F685 HydrophobicContact CB-CZ 4.35Å; L660-F685 HydrophobicContact CD1-CB 4.08Å; L660-F685 HydrophobicContact CD1-CG 4.27Å
661V93.9Very high90.6Very high85 Ų8531 Ų3152%0.51517%0.167SC..EExtended strand (participates in β ladder)trans-101.2142.5-175.9-175.80000109.7I675 S676V661-I675 CarbonylContact O-C 3.58Å; V661-I675 VanDerWaalsContact O-CA 3.31Å; V661-I675 WeakPolarHBondContact O-CA 3.29Å; V661-S676 PolarHBondContact N-O 3.4Å; V661-S676 PolarHBondContact O-N 3.36Å
662Q94.4Very high91.1Very high34 Ų3429.9 Ų29.916%0.15916%0.159CC..EExtended strand (participates in β ladder)trans-125.6149.4171.369.581.614.300110.9T652 V664 C674 I675 F685 I689T652-Q662 HydrophobicContact CG2-CG 4.19Å; Q662-V664 VanDerWaalsContact OE1-N 3.16Å; Q662-C674 CarbonylContact C-O 3.57Å; Q662-C674 VanDerWaalsContact CA-O 3.22Å; Q662-C674 WeakPolarHBondContact CA-O 3.38Å; Q662-I675 HydrophobicContact CB-CG2 4.18Å; Q662-F685 HydrophobicContact CB-CE1 3.89Å; Q662-F685 HydrophobicContact CB-CZ 3.77Å; Q662-F685 HydrophobicContact CG-CZ 3.99Å; Q662-I689 HydrophobicContact CB-CD1 3.71Å; Q662-I689 HydrophobicContact CG-CD1 4.12Å
663D94Very high91.5Very high74 Ų7429.3 Ų29.340%0.39616%0.155SC..EExtended strand (participates in β ladder)trans-138.5107.3170.4176.42000109.8R672 C674D663-R672 IonicContact OD1-NH2 3.78Å; D663-R672 PolarHBondContact OD1-NH2 2.96Å; D663-R672 IonicContact OD2-CZ 2.76Å; D663-R672 IonicContact OD2-NH2 3.02Å; D663-R672 PolarHBondContact OD2-NH2 3.06Å; D663-C674 HydrophobicContact CB-CB 4.17Å; D663-C674 PolarHBondContact N-O 2.95Å; D663-C674 PolarHBondContact O-N 3.35Å
664V94.8Very high91.9Very high1 Ų128 Ų281%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-97.6116.6172-179.90000110.3N645 L648 Q662 L671 R672 I673N645-V664 PolarHBondContact ND2-O 3.25Å; N645-V664 PolarHBondContact OD1-O 2.87Å; L648-V664 HydrophobicContact CD1-CB 4.44Å; L648-V664 HydrophobicContact CD1-CG2 3.72Å; Q662-V664 VanDerWaalsContact OE1-N 3.16Å; V664-L671 HydrophobicContact CG1-CD1 3.43Å; V664-L671 VanDerWaalsContact CG1-CD1 3.43Å; V664-L671 HydrophobicContact CG1-CD2 4.5Å; V664-L671 HydrophobicContact CG1-CG 4.05Å; V664-R672 CarbonylContact C-O 3.55Å; V664-R672 VanDerWaalsContact CA-O 3.3Å; V664-R672 WeakPolarHBondContact CA-O 3.48Å; V664-I673 HydrophobicContact CG2-CB 4.48Å; V664-I673 HydrophobicContact CG2-CG1 4.1Å; V664-I673 HydrophobicContact CG2-CG2 4.2Å
665A94.7Very high92.2Very high23 Ų2326.6 Ų26.619%0.1915%0.145CC..EExtended strand (participates in β ladder)trans-135.5152.3-176.400000113.3R667 R672A665-R667 PolarHBondContact O-N 3.06Å; A665-R672 PolarHBondContact N-O 3.18Å; A665-R672 PolarHBondContact O-N 3.43Å
666F90.9Very high92.4Very high70 Ų7027.8 Ų27.831%0.30715%0.153SC..EExtended strand (participates in β ladder)trans-67.3119.5160.9-176.6143.7000107.5V627 M634 H637 V641V627-F666 HydrophobicContact CG1-CE1 3.99Å; V627-F666 HydrophobicContact CG1-CE2 4.48Å; V627-F666 HydrophobicContact CG1-CZ 3.68Å; M634-F666 HydrophobicContact CG-CE1 4.12Å; M634-F666 HydrophobicContact CG-CZ 4.43Å; H637-F666 HydrophobicContact CB-CE1 4.5Å; H637-F666 AromaticContact CD2-CD1 3.53Å; H637-F666 AromaticContact CD2-CE1 3.82Å; H637-F666 AromaticContact CD2-CG 3.93Å; V641-F666 HydrophobicContact CG2-CB 4.38Å
667R84.7Confident92.5Very high71 Ų7126.2 Ų26.227%0.26814%0.137SC..EExtended strand (participates in β ladder)trans-141.7133.2166-164164.6175.3167.5-9.8111.3H621 A665 N669 G670 R672 D957H621-R667 PolarHBondContact NE2-O 3.32Å; A665-R667 PolarHBondContact O-N 3.06Å; R667-N669 PolarHBondContact O-N 3.22Å; R667-G670 PolarHBondContact N-O 2.91Å; R667-G670 CarbonylContact O-C 3.58Å; R667-G670 WeakPolarHBondContact O-CA 3.47Å; R667-G670 PolarHBondContact O-N 3.47Å; R667-R672 HydrophobicContact CB-CB 4.11Å; R667-D957 IonicContact CZ-OD1 2.71Å; R667-D957 IonicContact NH2-OD1 3.8Å; R667-D957 PolarHBondContact NH2-OD1 3.11Å
668D78.8Confident92.8Very high21 Ų2123.9 Ų23.911%0.11213%0.127CC..THydrogen-bonded Turntrans45.552.3171.5-55.6-45.1000117W623 G670 R802W623-D668 PolarHBondContact NE1-O 3.1Å; D668-G670 VanDerWaalsContact C-N 3.3Å; D668-G670 PolarHBondContact O-N 3.06Å; D668-R802 IonicContact OD2-NH2 3.7Å
669N85.4Confident93Very high13 Ų1325.4 Ų25.47%0.0714%0.137CC..THydrogen-bonded Turntrans61.434.2-175.3-59.1-24.6000113.8S624 V627 S628 R667S624-N669 PolarHBondContact N-O 2.95Å; V627-N669 HydrophobicContact CB-CB 4.03Å; V627-N669 HydrophobicContact CG2-CB 4.48Å; V627-N669 WeakPolarHBondContact CG2-O 3.35Å; S628-N669 WeakPolarHBondContact CB-ND2 3.41Å; S628-N669 WeakPolarHBondContact CB-OD1 3.42Å; S628-N669 PolarHBondContact OG-ND2 3.25Å; S628-N669 VanDerWaalsContact OG-ND2 3.14Å; R667-N669 PolarHBondContact O-N 3.22Å
670G91.2Very high93.2Very high0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-150178.7177.500000113.6L622 H637 R667 D668L622-G670 CarbonylContact O-C 3.51Å; L622-G670 WeakPolarHBondContact O-CA 3.41Å; H637-G670 PolarHBondContact NE2-O 3.28Å; H637-G670 VanDerWaalsContact NE2-O 3.1Å; R667-G670 PolarHBondContact N-O 2.91Å; R667-G670 CarbonylContact O-C 3.58Å; R667-G670 WeakPolarHBondContact O-CA 3.47Å; R667-G670 PolarHBondContact O-N 3.47Å; D668-G670 VanDerWaalsContact C-N 3.3Å; D668-G670 PolarHBondContact O-N 3.06Å
671L95.4Very high93.2Very high1 Ų129.1 Ų29.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-100.9114.5169.8-172.269.5000107.7L622 V641 L644 V664 I673 I693 F764L622-L671 HydrophobicContact CB-CB 4.33Å; L622-L671 HydrophobicContact CD1-CD2 4.42Å; L622-L671 PolarHBondContact N-O 2.76Å; L622-L671 PolarHBondContact O-N 3.21Å; V641-L671 HydrophobicContact CG2-CD1 3.68Å; L644-L671 HydrophobicContact CD1-CD1 4.4Å; L644-L671 HydrophobicContact CD1-CD2 4.21Å; V664-L671 HydrophobicContact CG1-CD1 3.43Å; V664-L671 VanDerWaalsContact CG1-CD1 3.43Å; V664-L671 HydrophobicContact CG1-CD2 4.5Å; V664-L671 HydrophobicContact CG1-CG 4.05Å; L671-I673 HydrophobicContact CD2-CD1 4.34Å; L671-I673 HydrophobicContact CD2-CG1 4.43Å; L671-I673 HydrophobicContact CG-CG1 4.33Å; L671-I693 HydrophobicContact CD2-CD1 4.45Å; L671-I693 HydrophobicContact CD2-CG2 4.47Å; L671-F764 HydrophobicContact CB-CE1 4.2Å; L671-F764 HydrophobicContact CB-CZ 3.91Å
672R95.7Very high93.3Very high23 Ų2325.1 Ų25.19%0.08713%0.128CC..EExtended strand (participates in β ladder)trans-94.9129172.3-175.2-162.969.6143.9-6.1108.4M619 I620 D663 V664 A665 R667M619-R672 HydrophobicContact CG-CG 4.26Å; M619-R672 WeakPolarHBondContact SD-CD 3.31Å; M619-R672 HydrophobicContact SD-CG 3.45Å; M619-R672 WeakPolarHBondContact SD-CG 3.46Å; I620-R672 CarbonylContact O-C 3.53Å; I620-R672 WeakPolarHBondContact O-CA 3.17Å; D663-R672 IonicContact OD1-NH2 3.78Å; D663-R672 PolarHBondContact OD1-NH2 2.96Å; D663-R672 IonicContact OD2-CZ 2.76Å; D663-R672 IonicContact OD2-NH2 3.02Å; D663-R672 PolarHBondContact OD2-NH2 3.06Å; V664-R672 CarbonylContact C-O 3.55Å; V664-R672 VanDerWaalsContact CA-O 3.3Å; V664-R672 WeakPolarHBondContact CA-O 3.48Å; A665-R672 PolarHBondContact N-O 3.18Å; A665-R672 PolarHBondContact O-N 3.43Å; R667-R672 HydrophobicContact CB-CB 4.11Å
673I97.5Very high93.4Very high0 Ų027 Ų270%014%0.135CC..EExtended strand (participates in β ladder)trans-119.6110.6174-54.1168.6000106.3I620 V664 L671 I675 I689 I693I620-I673 HydrophobicContact CB-CB 4.32Å; I620-I673 PolarHBondContact N-O 2.98Å; I620-I673 PolarHBondContact O-N 2.85Å; V664-I673 HydrophobicContact CG2-CB 4.48Å; V664-I673 HydrophobicContact CG2-CG1 4.1Å; V664-I673 HydrophobicContact CG2-CG2 4.2Å; L671-I673 HydrophobicContact CD2-CD1 4.34Å; L671-I673 HydrophobicContact CD2-CG1 4.43Å; L671-I673 HydrophobicContact CG-CG1 4.33Å; I673-I675 HydrophobicContact CG2-CG2 4.34Å; I673-I689 HydrophobicContact CG2-CG2 4.4Å; I673-I693 HydrophobicContact CD1-CD1 3.64Å; I673-I693 HydrophobicContact CG1-CD1 4.38Å
674C97.3Very high93.5Very high11 Ų1128.3 Ų28.37%0.07414%0.136CC..EExtended strand (participates in β ladder)trans-99.2135169.5-169.80000108.4M619 Q662 D663M619-C674 HydrophobicContact CE-CB 3.82Å; M619-C674 VanDerWaalsContact CE-SG 3.5Å; M619-C674 HydrophobicContact SD-CB 3.54Å; M619-C674 VanDerWaalsContact SD-CB 3.54Å; Q662-C674 CarbonylContact C-O 3.57Å; Q662-C674 VanDerWaalsContact CA-O 3.22Å; Q662-C674 WeakPolarHBondContact CA-O 3.38Å; D663-C674 HydrophobicContact CB-CB 4.17Å; D663-C674 PolarHBondContact N-O 2.95Å; D663-C674 PolarHBondContact O-N 3.35Å
675I97.4Very high93.6Very high0 Ų028.3 Ų28.30%014%0.135CC..EExtended strand (participates in β ladder)trans-128.9142.7167.860.9-179.9000109.2S617 V618 V661 Q662 I673 L682 F685 Y686 I689 F786S617-I675 CarbonylContact C-O 3.16Å; S617-I675 WeakPolarHBondContact CA-O 3.46Å; V618-I675 HydrophobicContact CB-CD1 4.02Å; V618-I675 HydrophobicContact CB-CG1 3.74Å; V618-I675 HydrophobicContact CG2-CD1 4.4Å; V618-I675 HydrophobicContact CG2-CG1 4.39Å; V618-I675 PolarHBondContact N-O 3.46Å; V618-I675 PolarHBondContact O-N 3.47Å; V661-I675 CarbonylContact O-C 3.58Å; V661-I675 VanDerWaalsContact O-CA 3.31Å; V661-I675 WeakPolarHBondContact O-CA 3.29Å; Q662-I675 HydrophobicContact CB-CG2 4.18Å; I673-I675 HydrophobicContact CG2-CG2 4.34Å; I675-L682 HydrophobicContact CB-CD1 4.09Å; I675-L682 HydrophobicContact CD1-CD1 4Å; I675-L682 HydrophobicContact CD1-CG 3.95Å; I675-L682 HydrophobicContact CG1-CD1 3.98Å; I675-L682 HydrophobicContact CG1-CG 4.3Å; I675-F685 HydrophobicContact CB-CD1 4.39Å; I675-F685 HydrophobicContact CB-CE1 4.43Å; I675-F685 HydrophobicContact CG2-CD1 4.24Å; I675-F685 HydrophobicContact CG2-CE1 4.12Å; I675-Y686 HydrophobicContact CD1-CD2 4.04Å; I675-Y686 HydrophobicContact CD1-CG 4.09Å; I675-I689 HydrophobicContact CG2-CD1 3.82Å; I675-F786 HydrophobicContact CD1-CD1 4.47Å; I675-F786 HydrophobicContact CD1-CE1 3.6Å; I675-F786 HydrophobicContact CD1-CZ 4.19Å
676S96.2Very high93.7Very high25 Ų2527.2 Ų27.218%0.17513%0.126CC..EExtended strand (participates in β ladder)trans-150.2150.3177.3-1720000110.6A616 S617 L660 V661A616-S676 WeakPolarHBondContact O-CA 3.37Å; S617-S676 WeakPolarHBondContact OG-CB 3.26Å; S617-S676 PolarHBondContact OG-OG 2.93Å; L660-S676 CarbonylContact C-O 3.57Å; L660-S676 WeakPolarHBondContact CA-O 3.32Å; V661-S676 PolarHBondContact N-O 3.4Å; V661-S676 PolarHBondContact O-N 3.36Å
677G94.9Very high94Very high3 Ų324.6 Ų24.63%0.03112%0.117CC..EExtended strand (participates in β ladder)trans145.9-161.8176.400000112.5K615 A616 D659 S679K615-G677 CarbonylContact C-O 3.48Å; K615-G677 WeakPolarHBondContact CA-O 3.38Å; K615-G677 VanDerWaalsContact CB-O 3.24Å; K615-G677 WeakPolarHBondContact CB-O 3.2Å; A616-G677 PolarHBondContact N-O 3.27Å; A616-G677 PolarHBondContact O-N 3.16Å; D659-G677 WeakPolarHBondContact O-CA 3.43Å; G677-S679 PolarHBondContact O-N 3.07Å
678F95Very high94.4Very high3 Ų322.4 Ų22.41%0.01311%0.111CC..EExtended strand (participates in β ladder)trans-59.8130.2-179.3-68.3-62.6000112.7Y455 T570 F573 P614 K615 D659 L660 E680Y455-F678 AromaticContact CD2-CE1 3.74Å; Y455-F678 HydrophobicContact CD2-CE1 3.74Å; Y455-F678 AromaticContact CD2-CZ 3.96Å; Y455-F678 HydrophobicContact CD2-CZ 3.96Å; Y455-F678 HydrophobicContact CG-CE1 4.02Å; Y455-F678 HydrophobicContact CG-CZ 4.45Å; T570-F678 HydrophobicContact CG2-CB 3.81Å; T570-F678 HydrophobicContact CG2-CD1 4.46Å; T570-F678 HydrophobicContact CG2-CG 4.06Å; T570-F678 WeakPolarHBondContact OG1-CB 3.13Å; F573-F678 AromaticContact CD1-CD1 3.82Å; F573-F678 HydrophobicContact CD1-CD1 3.82Å; F573-F678 AromaticContact CD1-CE1 3.67Å; F573-F678 HydrophobicContact CD1-CE1 3.67Å; F573-F678 HydrophobicContact CD1-CZ 4.32Å; F573-F678 AromaticContact CE1-CD1 3.8Å; F573-F678 HydrophobicContact CE1-CD1 3.8Å; F573-F678 HydrophobicContact CE1-CD2 4.39Å; F573-F678 AromaticContact CE1-CE1 3.56Å; F573-F678 HydrophobicContact CE1-CE1 3.56Å; F573-F678 HydrophobicContact CE1-CE2 4.17Å; F573-F678 HydrophobicContact CE1-CG 4.22Å; F573-F678 AromaticContact CE1-CZ 3.76Å; F573-F678 HydrophobicContact CE1-CZ 3.76Å; P614-F678 HydrophobicContact CG-CD1 3.98Å; P614-F678 HydrophobicContact CG-CE1 3.94Å; K615-F678 HydrophobicContact CG-CD1 3.96Å; K615-F678 HydrophobicContact CG-CE1 4.25Å; D659-F678 HydrophobicContact CB-CD2 4.18Å; D659-F678 HydrophobicContact CB-CE2 3.86Å; L660-F678 WeakPolarHBondContact CD2-O 3.37Å; F678-E680 VanDerWaalsContact C-N 3.34Å; F678-E680 PolarHBondContact O-N 3.33Å
679S95.2Very high95.2Very high36 Ų3621.4 Ų21.425%0.25211%0.106SC..Hα-helixtrans-64.1-34.4-168.4560000113.8P614 G677 K681 L682 N777P614-S679 PolarHBondContact O-N 3.15Å; P614-S679 VanDerWaalsContact O-N 3.1Å; P614-S679 PolarHBondContact O-OG 3.3Å; G677-S679 PolarHBondContact O-N 3.07Å; S679-K681 VanDerWaalsContact C-N 3.31Å; S679-K681 PolarHBondContact O-N 2.55Å; S679-L682 PolarHBondContact O-N 2.96Å; S679-N777 WeakPolarHBondContact CB-O 3.46Å; S679-N777 PolarHBondContact OG-ND2 2.8Å
680E95.3Very high95.7Very high66 Ų6620.8 Ų20.831%0.30810%0.103SC..Hα-helixtrans-53.7-44.2-175.2-166.6-155.2143.500112.9T570 T571 D572 F678T570-E680 HydrophobicContact CG2-CB 4.11Å; T571-E680 PolarHBondContact N-OE2 3.23Å; T571-E680 PolarHBondContact OG1-OE2 3.33Å; D572-E680 HydrophobicContact CB-CB 4.41Å; D572-E680 HydrophobicContact CB-CG 4.09Å; D572-E680 PolarHBondContact N-OE2 3.34Å; F678-E680 VanDerWaalsContact C-N 3.34Å; F678-E680 PolarHBondContact O-N 3.33Å
681K95.2Very high95.8Very high51 Ų5124 Ų2422%0.22212%0.12CC..Hα-helixtrans-101.7-1.6-174.7-61.3-51.4-166.7-152.50113.6L569 L660 S679 F683 Y684 F685L569-K681 WeakPolarHBondContact O-CE 3.32Å; L660-K681 HydrophobicContact CD1-CB 3.75Å; S679-K681 VanDerWaalsContact C-N 3.31Å; S679-K681 PolarHBondContact O-N 2.55Å; K681-F683 PolarHBondContact O-N 2.81Å; K681-Y684 PolarHBondContact O-N 2.55Å; K681-F685 WeakPolarHBondContact O-CB 3.38Å; K681-F685 PolarHBondContact O-N 3.42Å
682L95.9Very high95.6Very high2 Ų224.5 Ų24.51%0.0112%0.122CC..Hα-helixtrans-63.2-41.9-170.2-166.365000113.1A616 V618 L660 I675 S679 F685 Y686 F786A616-L682 HydrophobicContact CB-CD2 3.6Å; A616-L682 WeakPolarHBondContact O-CD2 3.44Å; V618-L682 HydrophobicContact CG2-CD2 4.03Å; L660-L682 HydrophobicContact CD2-CD1 4.25Å; I675-L682 HydrophobicContact CB-CD1 4.09Å; I675-L682 HydrophobicContact CD1-CD1 4Å; I675-L682 HydrophobicContact CD1-CG 3.95Å; I675-L682 HydrophobicContact CG1-CD1 3.98Å; I675-L682 HydrophobicContact CG1-CG 4.3Å; S679-L682 PolarHBondContact O-N 2.96Å; L682-F685 PolarHBondContact O-N 2.87Å; L682-Y686 PolarHBondContact O-N 2.94Å; L682-F786 HydrophobicContact CG-CZ 4.3Å
683F96.7Very high95.5Very high72 Ų7223.6 Ų23.632%0.31612%0.119SC..Hα-helixtrans-68.1-41.1176.4-175.5-96.7000112.1K681 F685 Y686 S687 S785 F786 Y789K681-F683 PolarHBondContact O-N 2.81Å; F683-F685 VanDerWaalsContact C-N 3.3Å; F683-F685 PolarHBondContact O-N 2.84Å; F683-Y686 PolarHBondContact O-N 2.83Å; F683-S687 WeakPolarHBondContact O-CB 3.35Å; F683-S687 PolarHBondContact O-N 3.18Å; F683-S687 PolarHBondContact O-OG 3.09Å; F683-S785 WeakPolarHBondContact CE2-O 3.29Å; F683-F786 HydrophobicContact CB-CE1 4.45Å; F683-F786 HydrophobicContact CB-CE2 4.22Å; F683-F786 HydrophobicContact CB-CZ 3.86Å; F683-F786 HydrophobicContact CD2-CD1 4Å; F683-F786 HydrophobicContact CD2-CD2 4.01Å; F683-F786 AromaticContact CD2-CE1 3.93Å; F683-F786 HydrophobicContact CD2-CE1 3.93Å; F683-F786 AromaticContact CD2-CE2 3.9Å; F683-F786 HydrophobicContact CD2-CE2 3.9Å; F683-F786 HydrophobicContact CD2-CG 4.04Å; F683-F786 AromaticContact CD2-CZ 3.87Å; F683-F786 HydrophobicContact CD2-CZ 3.87Å; F683-F786 HydrophobicContact CE2-CD1 4.48Å; F683-F786 HydrophobicContact CE2-CG 4.41Å; F683-F786 HydrophobicContact CG-CZ 4.37Å; F683-Y789 HydrophobicContact CE2-CG 4.46Å; F683-Y789 HydrophobicContact CZ-CD2 4.02Å; F683-Y789 AromaticContact CZ-CG 3.97Å; F683-Y789 HydrophobicContact CZ-CG 3.97Å
684Y96Very high95.2Very high102 Ų10225.5 Ų25.540%0.413%0.129SC..Hα-helixtrans-62-41.3175.5177.8-113.4000111.3K567 F568 K681 S687 T688K567-Y684 HydrophobicContact CD-CE1 4.33Å; F568-Y684 AromaticContact CD1-CD1 4Å; F568-Y684 HydrophobicContact CD1-CD1 4Å; F568-Y684 HydrophobicContact CD1-CE1 4.22Å; F568-Y684 AromaticContact CE1-CD1 3.56Å; F568-Y684 HydrophobicContact CE1-CD1 3.56Å; F568-Y684 AromaticContact CE1-CE1 3.63Å; F568-Y684 HydrophobicContact CE1-CE1 3.63Å; F568-Y684 HydrophobicContact CZ-CD1 4.46Å; F568-Y684 HydrophobicContact CZ-CE1 4.11Å; K681-Y684 PolarHBondContact O-N 2.55Å; Y684-S687 WeakPolarHBondContact CA-OG 3.29Å; Y684-S687 PolarHBondContact O-N 2.92Å; Y684-S687 PolarHBondContact O-OG 3.35Å; Y684-T688 PolarHBondContact O-N 2.79Å; Y684-T688 PolarHBondContact O-OG1 3.46Å
685F96.4Very high94.6Very high1 Ų127.3 Ų27.30%0.00414%0.138CC..Hα-helixtrans-60.3-49.8174.6179.8-131.6000112.2F568 T652 A655 L660 Q662 I675 K681 L682 F683 S687 T688 I689F568-F685 HydrophobicContact CD1-CB 4.43Å; F568-F685 HydrophobicContact CE1-CB 4.12Å; F568-F685 AromaticContact CE1-CD2 4Å; F568-F685 HydrophobicContact CE1-CD2 4Å; F568-F685 HydrophobicContact CZ-CD2 4.25Å; T652-F685 HydrophobicContact CG2-CE2 3.65Å; T652-F685 HydrophobicContact CG2-CZ 4.15Å; A655-F685 HydrophobicContact CB-CD2 3.45Å; A655-F685 VanDerWaalsContact CB-CD2 3.45Å; A655-F685 HydrophobicContact CB-CE2 3.19Å; A655-F685 HydrophobicContact CB-CG 4.32Å; A655-F685 HydrophobicContact CB-CZ 3.88Å; L660-F685 HydrophobicContact CB-CD1 3.88Å; L660-F685 HydrophobicContact CB-CE1 3.95Å; L660-F685 HydrophobicContact CB-CG 4.21Å; L660-F685 HydrophobicContact CB-CZ 4.35Å; L660-F685 HydrophobicContact CD1-CB 4.08Å; L660-F685 HydrophobicContact CD1-CG 4.27Å; Q662-F685 HydrophobicContact CB-CE1 3.89Å; Q662-F685 HydrophobicContact CB-CZ 3.77Å; Q662-F685 HydrophobicContact CG-CZ 3.99Å; I675-F685 HydrophobicContact CB-CD1 4.39Å; I675-F685 HydrophobicContact CB-CE1 4.43Å; I675-F685 HydrophobicContact CG2-CD1 4.24Å; I675-F685 HydrophobicContact CG2-CE1 4.12Å; K681-F685 WeakPolarHBondContact O-CB 3.38Å; K681-F685 PolarHBondContact O-N 3.42Å; L682-F685 PolarHBondContact O-N 2.87Å; F683-F685 VanDerWaalsContact C-N 3.3Å; F683-F685 PolarHBondContact O-N 2.84Å; F685-S687 VanDerWaalsContact C-N 3.34Å; F685-S687 PolarHBondContact O-N 2.96Å; F685-T688 WeakPolarHBondContact O-CB 3.42Å; F685-T688 PolarHBondContact O-N 2.95Å; F685-I689 HydrophobicContact CD1-CD1 4.07Å; F685-I689 HydrophobicContact CD2-CD1 4.14Å; F685-I689 HydrophobicContact CD2-CG1 4.46Å; F685-I689 HydrophobicContact CE1-CD1 3.75Å; F685-I689 HydrophobicContact CE2-CD1 3.81Å; F685-I689 HydrophobicContact CE2-CG1 4.21Å; F685-I689 HydrophobicContact CG-CD1 4.27Å; F685-I689 HydrophobicContact CZ-CD1 3.64Å; F685-I689 HydrophobicContact CZ-CG1 4.48Å; F685-I689 WeakPolarHBondContact O-CG1 3.19Å; F685-I689 PolarHBondContact O-N 3.36Å
686Y97.2Very high93.1Very high0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-57.9-45.5174.4178.3-113.2000113.2I620 I675 L682 F683 T688 I689 L690 F786 Y789 T790I620-Y686 HydrophobicContact CD1-CD2 4.08Å; I620-Y686 HydrophobicContact CD1-CE2 3.72Å; I620-Y686 HydrophobicContact CG1-CE2 4.13Å; I675-Y686 HydrophobicContact CD1-CD2 4.04Å; I675-Y686 HydrophobicContact CD1-CG 4.09Å; L682-Y686 PolarHBondContact O-N 2.94Å; F683-Y686 PolarHBondContact O-N 2.83Å; Y686-T688 PolarHBondContact O-N 2.98Å; Y686-I689 PolarHBondContact O-N 2.86Å; Y686-I689 VanDerWaalsContact O-N 3.08Å; Y686-L690 HydrophobicContact CE1-CD2 4.22Å; Y686-L690 PolarHBondContact O-N 2.89Å; Y686-F786 VanDerWaalsContact CB-CE1 3.5Å; Y686-F786 AromaticContact CD1-CD1 3.44Å; Y686-F786 HydrophobicContact CD1-CD1 3.44Å; Y686-F786 VanDerWaalsContact CD1-CD1 3.44Å; Y686-F786 AromaticContact CD1-CE1 3.78Å; Y686-F786 HydrophobicContact CD1-CE1 3.78Å; Y686-F786 HydrophobicContact CD2-CD1 4.47Å; Y686-F786 AromaticContact CE1-CD1 3.99Å; Y686-F786 HydrophobicContact CE1-CD1 3.99Å; Y686-F786 AromaticContact CG-CD1 3.72Å; Y686-F786 HydrophobicContact CG-CD1 3.72Å; Y686-F786 AromaticContact CG-CE1 3.67Å; Y686-F786 HydrophobicContact CG-CE1 3.67Å; Y686-Y789 HydrophobicContact CD1-CD1 4.27Å; Y686-Y789 AromaticContact CE1-CD1 3.95Å; Y686-Y789 HydrophobicContact CE1-CD1 3.95Å; Y686-T790 PolarHBondContact OH-OG1 2.75Å
687S96.4Very high91.5Very high15 Ų1536.8 Ų36.811%0.10519%0.187CC..Hα-helixtrans-60.6-37-179.770.90000111.6F683 Y684 F685 D691F683-S687 WeakPolarHBondContact O-CB 3.35Å; F683-S687 PolarHBondContact O-N 3.18Å; F683-S687 PolarHBondContact O-OG 3.09Å; Y684-S687 WeakPolarHBondContact CA-OG 3.29Å; Y684-S687 PolarHBondContact O-N 2.92Å; Y684-S687 PolarHBondContact O-OG 3.35Å; F685-S687 VanDerWaalsContact C-N 3.34Å; F685-S687 PolarHBondContact O-N 2.96Å; S687-D691 VanDerWaalsContact O-CB 3.25Å; S687-D691 WeakPolarHBondContact O-CB 3.46Å; S687-D691 PolarHBondContact O-N 2.97Å
688T94.2Very high89.7Confident25 Ų2541.2 Ų41.215%0.15321%0.207CC..Hα-helixtrans-64.9-43.8173.8-56.20000111.6I651 Y684 F685 Y686 H692I651-T688 HydrophobicContact CG2-CG2 3.88Å; Y684-T688 PolarHBondContact O-N 2.79Å; Y684-T688 PolarHBondContact O-OG1 3.46Å; F685-T688 WeakPolarHBondContact O-CB 3.42Å; F685-T688 PolarHBondContact O-N 2.95Å; Y686-T688 PolarHBondContact O-N 2.98Å; T688-H692 WeakPolarHBondContact O-CB 3.3Å; T688-H692 PolarHBondContact O-N 3.43Å; T688-H692 VanDerWaalsContact O-N 3.11Å
689I95.2Very high87.8Confident0 Ų042.4 Ų42.40%021%0.214CC..Hα-helixtrans-64.2-49.9177.8-67.7165.8000110.8L648 T652 Q662 I673 I675 F685 Y686 H692 I693L648-I689 HydrophobicContact CD1-CG2 4.25Å; L648-I689 HydrophobicContact CD2-CB 4.38Å; L648-I689 HydrophobicContact CD2-CG1 4.28Å; L648-I689 HydrophobicContact CD2-CG2 4.05Å; T652-I689 HydrophobicContact CG2-CD1 4.39Å; T652-I689 HydrophobicContact CG2-CG1 3.9Å; Q662-I689 HydrophobicContact CB-CD1 3.71Å; Q662-I689 HydrophobicContact CG-CD1 4.12Å; I673-I689 HydrophobicContact CG2-CG2 4.4Å; I675-I689 HydrophobicContact CG2-CD1 3.82Å; F685-I689 HydrophobicContact CD1-CD1 4.07Å; F685-I689 HydrophobicContact CD2-CD1 4.14Å; F685-I689 HydrophobicContact CD2-CG1 4.46Å; F685-I689 HydrophobicContact CE1-CD1 3.75Å; F685-I689 HydrophobicContact CE2-CD1 3.81Å; F685-I689 HydrophobicContact CE2-CG1 4.21Å; F685-I689 HydrophobicContact CG-CD1 4.27Å; F685-I689 HydrophobicContact CZ-CD1 3.64Å; F685-I689 HydrophobicContact CZ-CG1 4.48Å; F685-I689 WeakPolarHBondContact O-CG1 3.19Å; F685-I689 PolarHBondContact O-N 3.36Å; Y686-I689 PolarHBondContact O-N 2.86Å; Y686-I689 VanDerWaalsContact O-N 3.08Å; I689-H692 PolarHBondContact O-N 3.06Å; I689-I693 HydrophobicContact CG2-CD1 3.73Å; I689-I693 HydrophobicContact CG2-CG1 4.39Å; I689-I693 WeakPolarHBondContact O-CG1 3.4Å; I689-I693 PolarHBondContact O-N 3.48Å
690L95.5Very high86.2Confident0 Ų044.8 Ų44.80%022%0.223CC..Hα-helixtrans-65.5-42.8-177.4-176.864.1000111.4Y686 H692 I693 L694 Y789 K793 I794Y686-L690 HydrophobicContact CE1-CD2 4.22Å; Y686-L690 PolarHBondContact O-N 2.89Å; L690-H692 VanDerWaalsContact C-N 3.26Å; L690-H692 PolarHBondContact O-N 2.91Å; L690-I693 PolarHBondContact O-N 2.93Å; L690-L694 HydrophobicContact CD1-CD1 4.18Å; L690-L694 HydrophobicContact CD1-CG 4.24Å; L690-L694 HydrophobicContact CG-CD1 3.99Å; L690-L694 HydrophobicContact CG-CG 4.41Å; L690-L694 VanDerWaalsContact O-CG 3.3Å; L690-L694 WeakPolarHBondContact O-CG 3.47Å; L690-L694 PolarHBondContact O-N 3.3Å; L690-Y789 HydrophobicContact CB-CE1 4.23Å; L690-Y789 HydrophobicContact CD2-CD1 3.69Å; L690-Y789 HydrophobicContact CD2-CE1 3.72Å; L690-Y789 HydrophobicContact CG-CE1 4.42Å; L690-K793 HydrophobicContact CD2-CB 4Å; L690-K793 HydrophobicContact CD2-CG 4.42Å; L690-I794 HydrophobicContact CD1-CD1 4.2Å; L690-I794 HydrophobicContact CD1-CG1 4.34Å
691D93.8Very high85.2Confident67 Ų6743.3 Ų43.336%0.35822%0.22SC..Hα-helixtrans-60.8-38.5176.9-76.8-6.1000111.3S687 L694 D695 Y789 K793S687-D691 VanDerWaalsContact O-CB 3.25Å; S687-D691 WeakPolarHBondContact O-CB 3.46Å; S687-D691 PolarHBondContact O-N 2.97Å; D691-L694 PolarHBondContact O-N 2.97Å; D691-D695 PolarHBondContact O-N 2.96Å; D691-Y789 PolarHBondContact OD1-OH 3.04Å; D691-Y789 PolarHBondContact OD2-OH 3.08Å; D691-Y789 VanDerWaalsContact OD2-OH 3.11Å; D691-K793 IonicContact OD1-NZ 2.91Å; D691-K793 PolarHBondContact OD1-NZ 3.3Å; D691-K793 IonicContact OD2-NZ 2.67Å; D691-K793 PolarHBondContact OD2-NZ 3.45Å
692H91.4Very high84.6Confident12 Ų1246.6 Ų46.66%0.05623%0.234CC..Hα-helixtrans-66.7-43.5174-177.568.4000112.8S647 L648 I651 T688 I689 L690 L694 D695 Q698S647-H692 VanDerWaalsContact CB-NE2 3.26Å; S647-H692 WeakPolarHBondContact CB-NE2 3.33Å; S647-H692 PolarHBondContact OG-NE2 2.93Å; L648-H692 HydrophobicContact CD2-CB 4.27Å; L648-H692 VanDerWaalsContact CD2-CD2 3.49Å; L648-H692 WeakPolarHBondContact CD2-CD2 3.46Å; I651-H692 HydrophobicContact CD1-CB 4.29Å; I651-H692 WeakPolarHBondContact CD1-CE1 3.24Å; I651-H692 VanDerWaalsContact CD1-CG 3.46Å; I651-H692 WeakPolarHBondContact CD1-ND1 3.32Å; T688-H692 WeakPolarHBondContact O-CB 3.3Å; T688-H692 PolarHBondContact O-N 3.43Å; T688-H692 VanDerWaalsContact O-N 3.11Å; I689-H692 PolarHBondContact O-N 3.06Å; L690-H692 VanDerWaalsContact C-N 3.26Å; L690-H692 PolarHBondContact O-N 2.91Å; H692-L694 PolarHBondContact O-N 3.33Å; H692-D695 WeakPolarHBondContact O-CB 3.29Å; H692-D695 PolarHBondContact O-N 3.33Å; H692-Q698 PolarHBondContact CE1-OE1 2.82Å
693I91.9Very high83.8Confident4 Ų451.6 Ų51.62%0.02126%0.257CS..Hα-helixtrans-58.7-37.1175.9-70.1168000110.9L644 L671 I673 I689 L690 K761L644-I693 HydrophobicContact CD1-CG1 4.27Å; L644-I693 HydrophobicContact CD1-CG2 4.28Å; L644-I693 HydrophobicContact CD2-CB 4.32Å; L644-I693 HydrophobicContact CD2-CG1 3.93Å; L644-I693 HydrophobicContact CD2-CG2 4.41Å; L671-I693 HydrophobicContact CD2-CD1 4.45Å; L671-I693 HydrophobicContact CD2-CG2 4.47Å; I673-I693 HydrophobicContact CD1-CD1 3.64Å; I673-I693 HydrophobicContact CG1-CD1 4.38Å; I689-I693 HydrophobicContact CG2-CD1 3.73Å; I689-I693 HydrophobicContact CG2-CG1 4.39Å; I689-I693 WeakPolarHBondContact O-CG1 3.4Å; I689-I693 PolarHBondContact O-N 3.48Å; L690-I693 PolarHBondContact O-N 2.93Å; I693-K761 WeakPolarHBondContact O-CE 3.43Å; I693-K761 PolarHBondContact O-NZ 3.07Å
694L91.7Very high83Confident41 Ų4151.7 Ų51.722%0.21526%0.256CS..Hα-helixtrans-84-16.6-178.2-63177.3000114.1L690 D691 H692 Q696 L765 K793 I794L690-L694 HydrophobicContact CD1-CD1 4.18Å; L690-L694 HydrophobicContact CD1-CG 4.24Å; L690-L694 HydrophobicContact CG-CD1 3.99Å; L690-L694 HydrophobicContact CG-CG 4.41Å; L690-L694 VanDerWaalsContact O-CG 3.3Å; L690-L694 WeakPolarHBondContact O-CG 3.47Å; L690-L694 PolarHBondContact O-N 3.3Å; D691-L694 PolarHBondContact O-N 2.97Å; H692-L694 PolarHBondContact O-N 3.33Å; L694-Q696 PolarHBondContact O-N 3Å; L694-L765 HydrophobicContact CD2-CD1 3.72Å; L694-L765 HydrophobicContact CD2-CD2 4.47Å; L694-K793 HydrophobicContact CD1-CB 3.75Å; L694-I794 HydrophobicContact CD1-CG1 4.06Å; L694-I794 HydrophobicContact CD2-CG1 4.04Å
695D85.1Confident82.5Confident48 Ų4847.2 Ų47.226%0.25724%0.239SC..  trans-58.8126175-169-4.6000110D691 H692 T697 Q698 K761D691-D695 PolarHBondContact O-N 2.96Å; H692-D695 WeakPolarHBondContact O-CB 3.29Å; H692-D695 PolarHBondContact O-N 3.33Å; D695-T697 VanDerWaalsContact CG-OG1 3.26Å; D695-T697 WeakPolarHBondContact OD1-CB 3.4Å; D695-T697 PolarHBondContact OD1-N 2.97Å; D695-T697 PolarHBondContact OD1-OG1 2.96Å; D695-T697 PolarHBondContact OD2-OG1 2.94Å; D695-T697 VanDerWaalsContact OD2-OG1 3.12Å; D695-Q698 PolarHBondContact OD2-NE2 3.26Å; D695-K761 PolarHBondContact O-NZ 3.33Å; D695-K761 VanDerWaalsContact O-NZ 3.09Å
696Q66.6Low82Confident115 Ų11550.6 Ų50.654%0.53726%0.255SS..SBendtrans-91.4-6.8179.1-63.9-158.7-5.900112.4L694 L700L694-Q696 PolarHBondContact O-N 3Å; Q696-L700 WeakPolarHBondContact O-CD1 3.24Å
697T62Low81.3Confident109 Ų10951.6 Ų51.667%0.66926%0.262SS*.SBendtrans-90.9-21.6-169.664.70000114.3D695D695-T697 VanDerWaalsContact CG-OG1 3.26Å; D695-T697 WeakPolarHBondContact OD1-CB 3.4Å; D695-T697 PolarHBondContact OD1-N 2.97Å; D695-T697 PolarHBondContact OD1-OG1 2.96Å; D695-T697 PolarHBondContact OD2-OG1 2.94Å; D695-T697 VanDerWaalsContact OD2-OG1 3.12Å
698Q56.1Low80.9Confident97 Ų9752.6 Ų52.645%0.45326%0.264SS..SBendtrans-95.4-27.2-167-65-1713300115.2H692 D695 L700H692-Q698 PolarHBondContact CE1-OE1 2.82Å; D695-Q698 PolarHBondContact OD2-NE2 3.26Å; Q698-L700 PolarHBondContact O-N 2.98Å
699D57.1Low80.7Confident28 Ų2853.7 Ų53.715%0.1527%0.265CS..THydrogen-bonded Turntrans-93.116.1-174.2-63.1-36.4000114.2K761D699-K761 IonicContact OD2-NZ 3.16Å; D699-K761 PolarHBondContact OD2-NZ 2.93Å
700L59.8Low80.2Confident86 Ų8655.9 Ų55.945%0.4528%0.277SS..THydrogen-bonded Turntrans-112.42.3-168-64.9179.3000115.5Q696 Q698 K702 V754 A758Q696-L700 WeakPolarHBondContact O-CD1 3.24Å; Q698-L700 PolarHBondContact O-N 2.98Å; L700-K702 PolarHBondContact O-N 3.12Å; L700-V754 HydrophobicContact CB-CG2 4.5Å; L700-V754 HydrophobicContact CD2-CG2 3.95Å; L700-A758 HydrophobicContact CD2-CB 3.72Å
701S74.8Confident79.7Confident35 Ų3556.3 Ų56.325%0.24528%0.28CS..  trans-68.2134.217094.70000108.6E703 Y704 F705S701-E703 PolarHBondContact O-N 3.21Å; S701-Y704 PolarHBondContact O-N 2.98Å; S701-Y704 VanDerWaalsContact OG-CB 3.3Å; S701-Y704 WeakPolarHBondContact OG-CB 3.49Å; S701-Y704 WeakPolarHBondContact OG-CD2 3.38Å; S701-Y704 VanDerWaalsContact OG-CG 3.23Å; S701-Y704 PolarHBondContact OG-N 3.04Å; S701-F705 PolarHBondContact O-N 3.48Å; S701-F705 VanDerWaalsContact O-N 3.13Å
702K82.4Confident79.5Confident119 Ų11953.2 Ų53.252%0.51726%0.263SS..Hα-helixtrans-62-36.3179.5-178.9-177.5167.9-170.70110L700 F705 E706L700-K702 PolarHBondContact O-N 3.12Å; K702-F705 PolarHBondContact O-N 2.69Å; K702-E706 WeakPolarHBondContact CE-OE1 3.27Å; K702-E706 HydrophobicContact CG-CG 4.48Å; K702-E706 IonicContact NZ-OE1 3.33Å; K702-E706 WeakPolarHBondContact O-CB 3.31Å; K702-E706 WeakPolarHBondContact O-CG 3.5Å; K702-E706 PolarHBondContact O-N 3.14Å
703E78.7Confident79.4Confident107 Ų10752.8 Ų52.850%0.526%0.262SS..Hα-helixtrans-66.2-45-177.9-60.571.3-154.800111.8S701 S707S701-E703 PolarHBondContact O-N 3.21Å; E703-S707 WeakPolarHBondContact O-CB 3.47Å; E703-S707 PolarHBondContact O-N 3.2Å
704Y79.8Confident79.1Confident75 Ų7553.6 Ų53.629%0.29427%0.265SS..Hα-helixtrans-67.3-42.4175.6-70.5-48.1000111.3S701 E706 S707 Y708S701-Y704 PolarHBondContact O-N 2.98Å; S701-Y704 VanDerWaalsContact OG-CB 3.3Å; S701-Y704 WeakPolarHBondContact OG-CB 3.49Å; S701-Y704 WeakPolarHBondContact OG-CD2 3.38Å; S701-Y704 VanDerWaalsContact OG-CG 3.23Å; S701-Y704 PolarHBondContact OG-N 3.04Å; Y704-E706 PolarHBondContact O-N 3.34Å; Y704-S707 PolarHBondContact O-N 3.29Å; Y704-Y708 WeakPolarHBondContact O-CB 3.21Å; Y704-Y708 WeakPolarHBondContact O-CD1 3.34Å; Y704-Y708 WeakPolarHBondContact O-CD2 3.35Å; Y704-Y708 PolarHBondContact O-N 2.78Å
705F87Confident78.9Confident8 Ų854.5 Ų54.54%0.03527%0.269CS..Hα-helixtrans-58.5-47.7176.9173.9-91.8000111.8L639 S701 K702 Y708 R709 L752 S753 V754 L757L639-F705 HydrophobicContact CD1-CE2 4.13Å; L639-F705 HydrophobicContact CD1-CZ 4.32Å; S701-F705 PolarHBondContact O-N 3.48Å; S701-F705 VanDerWaalsContact O-N 3.13Å; K702-F705 PolarHBondContact O-N 2.69Å; F705-Y708 PolarHBondContact O-N 3.4Å; F705-R709 VanDerWaalsContact O-CB 3.27Å; F705-R709 WeakPolarHBondContact O-CB 3.39Å; F705-R709 PolarHBondContact O-N 2.61Å; F705-L752 VanDerWaalsContact CE1-O 3.32Å; F705-L752 WeakPolarHBondContact CE1-O 3.31Å; F705-L752 HydrophobicContact CZ-CB 4.09Å; F705-S753 VanDerWaalsContact CE1-C 3.46Å; F705-S753 WeakPolarHBondContact CZ-O 3.35Å; F705-V754 HydrophobicContact CB-CB 3.96Å; F705-V754 HydrophobicContact CB-CG2 4.11Å; F705-V754 HydrophobicContact CD1-CB 4.21Å; F705-V754 HydrophobicContact CD2-CB 4.15Å; F705-V754 HydrophobicContact CD2-CG2 4.49Å; F705-V754 HydrophobicContact CG-CB 3.81Å; F705-V754 HydrophobicContact CG-CG2 4.33Å; F705-L757 HydrophobicContact CD2-CB 4.3Å; F705-L757 HydrophobicContact CD2-CD2 3.81Å; F705-L757 HydrophobicContact CE2-CB 3.96Å; F705-L757 HydrophobicContact CE2-CD2 4.05Å
706E85.8Confident79Confident71 Ų7155 Ų5533%0.33227%0.268SS..Hα-helixtrans-62-45178-74.2176.1169.500111K702 Y704 Y708 R709 D710K702-E706 WeakPolarHBondContact CE-OE1 3.27Å; K702-E706 HydrophobicContact CG-CG 4.48Å; K702-E706 IonicContact NZ-OE1 3.33Å; K702-E706 WeakPolarHBondContact O-CB 3.31Å; K702-E706 WeakPolarHBondContact O-CG 3.5Å; K702-E706 PolarHBondContact O-N 3.14Å; Y704-E706 PolarHBondContact O-N 3.34Å; E706-Y708 PolarHBondContact O-N 3.43Å; E706-R709 PolarHBondContact O-N 2.97Å; E706-D710 WeakPolarHBondContact O-CB 3.29Å; E706-D710 PolarHBondContact O-N 3.19Å
707S82.4Confident80.1Confident21 Ų2150.2 Ų50.215%0.14725%0.245CC..Hα-helixtrans-58.8-47.5175.5-177.30000112.8E703 Y704 D710 A711E703-S707 WeakPolarHBondContact O-CB 3.47Å; E703-S707 PolarHBondContact O-N 3.2Å; Y704-S707 PolarHBondContact O-N 3.29Å; S707-D710 PolarHBondContact O-N 3.2Å; S707-A711 WeakPolarHBondContact O-CB 3.28Å; S707-A711 PolarHBondContact O-N 3.28Å
708Y86.8Confident81.2Confident37 Ų3745.7 Ų45.715%0.14522%0.217CC..Hα-helixtrans-66.2-39.5179-63.9-13.4000111.8Y642 Q646 Y704 F705 E706 A711 V712Y642-Y708 HydrophobicContact CD1-CD1 4.27Å; Y642-Y708 HydrophobicContact CD1-CG 4.14Å; Y642-Y708 HydrophobicContact CE1-CD1 4.01Å; Y642-Y708 HydrophobicContact CE1-CG 4.32Å; Q646-Y708 HydrophobicContact CB-CE1 3.94Å; Q646-Y708 HydrophobicContact CG-CD1 4.34Å; Q646-Y708 HydrophobicContact CG-CE1 3.96Å; Y704-Y708 WeakPolarHBondContact O-CB 3.21Å; Y704-Y708 WeakPolarHBondContact O-CD1 3.34Å; Y704-Y708 WeakPolarHBondContact O-CD2 3.35Å; Y704-Y708 PolarHBondContact O-N 2.78Å; F705-Y708 PolarHBondContact O-N 3.4Å; E706-Y708 PolarHBondContact O-N 3.43Å; Y708-A711 PolarHBondContact O-N 3.46Å; Y708-V712 WeakPolarHBondContact O-CB 3.48Å; Y708-V712 VanDerWaalsContact O-CG2 3.32Å; Y708-V712 WeakPolarHBondContact O-CG2 3.06Å; Y708-V712 PolarHBondContact O-N 3.01Å
709R90.1Very high82.7Confident48 Ų4844.5 Ų44.518%0.18121%0.211CC..Hα-helixtrans-60.7-46.7175.1-176.2-164.467.4-166.2-6.1111.4L639 F705 E706 A711 V712 L713 L749L639-R709 HydrophobicContact CD2-CB 4.1Å; L639-R709 HydrophobicContact CD2-CG 4.47Å; F705-R709 VanDerWaalsContact O-CB 3.27Å; F705-R709 WeakPolarHBondContact O-CB 3.39Å; F705-R709 PolarHBondContact O-N 2.61Å; E706-R709 PolarHBondContact O-N 2.97Å; R709-A711 VanDerWaalsContact C-N 3.34Å; R709-V712 PolarHBondContact O-N 3.07Å; R709-L713 HydrophobicContact CG-CD1 4.22Å; R709-L713 WeakPolarHBondContact O-CB 3.38Å; R709-L713 WeakPolarHBondContact O-CG 3.24Å; R709-L713 PolarHBondContact O-N 3.38Å; R709-L749 VanDerWaalsContact CD-O 3.25Å; R709-L749 WeakPolarHBondContact CD-O 3.27Å
710D84.7Confident84.1Confident46 Ų4643.1 Ų43.125%0.24620%0.204CC..Hα-helixtrans-68.2-37.3-178.6-63.1-11.5000110.9E706 S707 L713 Q714E706-D710 WeakPolarHBondContact O-CB 3.29Å; E706-D710 PolarHBondContact O-N 3.19Å; S707-D710 PolarHBondContact O-N 3.2Å; D710-L713 PolarHBondContact O-N 3.47Å; D710-Q714 VanDerWaalsContact O-CB 3.31Å; D710-Q714 WeakPolarHBondContact O-CB 3.46Å; D710-Q714 PolarHBondContact O-N 2.84Å
711A85Confident85.4Confident8 Ų839.8 Ų39.87%0.06619%0.187CC..Hα-helixtrans-63.2-43.9172.200000112.8Y642 S707 Y708 R709 Q714 I715Y642-A711 HydrophobicContact CE1-CB 3.88Å; Y642-A711 WeakPolarHBondContact OH-CB 3.4Å; S707-A711 WeakPolarHBondContact O-CB 3.28Å; S707-A711 PolarHBondContact O-N 3.28Å; Y708-A711 PolarHBondContact O-N 3.46Å; R709-A711 VanDerWaalsContact C-N 3.34Å; A711-Q714 WeakPolarHBondContact O-CB 3.28Å; A711-Q714 PolarHBondContact O-N 2.84Å; A711-I715 VanDerWaalsContact O-CG1 3.26Å; A711-I715 WeakPolarHBondContact O-CG1 3.46Å; A711-I715 PolarHBondContact O-N 3.16Å
712V90Very high85.9Confident2 Ų242.1 Ų42.11%0.01219%0.193CC..Hα-helixtrans-67.5-40.9177.3171.80000111.4T638 L639 Y642 Y708 R709 Q714 I715 Y716 L749T638-V712 HydrophobicContact CG2-CG1 3.64Å; L639-V712 HydrophobicContact CD2-CB 3.95Å; L639-V712 HydrophobicContact CD2-CG1 4.32Å; L639-V712 HydrophobicContact CD2-CG2 3.94Å; Y642-V712 HydrophobicContact CD1-CG2 3.93Å; Y642-V712 HydrophobicContact CD2-CG2 3.89Å; Y642-V712 HydrophobicContact CG-CG2 3.53Å; Y708-V712 WeakPolarHBondContact O-CB 3.48Å; Y708-V712 VanDerWaalsContact O-CG2 3.32Å; Y708-V712 WeakPolarHBondContact O-CG2 3.06Å; Y708-V712 PolarHBondContact O-N 3.01Å; R709-V712 PolarHBondContact O-N 3.07Å; V712-Q714 VanDerWaalsContact C-N 3.3Å; V712-Q714 PolarHBondContact O-N 3.12Å; V712-I715 PolarHBondContact O-N 3.45Å; V712-Y716 HydrophobicContact CG1-CD2 3.94Å; V712-Y716 HydrophobicContact CG1-CE2 4.05Å; V712-Y716 WeakPolarHBondContact O-CD2 3.5Å; V712-Y716 PolarHBondContact O-N 2.92Å; V712-L749 HydrophobicContact CG1-CD1 3.81Å; V712-L749 HydrophobicContact CG1-CD2 4.05Å
713L90.4Very high86.3Confident4 Ų436.8 Ų36.82%0.02117%0.17CC..Hα-helixtrans-55-48.5172.2-79.8168.6000110.8R709 D710 Y716 Y717 L746 L749 K750 Y1022R709-L713 HydrophobicContact CG-CD1 4.22Å; R709-L713 WeakPolarHBondContact O-CB 3.38Å; R709-L713 WeakPolarHBondContact O-CG 3.24Å; R709-L713 PolarHBondContact O-N 3.38Å; D710-L713 PolarHBondContact O-N 3.47Å; L713-Y716 PolarHBondContact O-N 2.83Å; L713-Y717 WeakPolarHBondContact O-CB 3.29Å; L713-Y717 PolarHBondContact O-N 3.4Å; L713-L746 HydrophobicContact CD2-CD2 3.74Å; L713-L749 HydrophobicContact CD2-CB 3.58Å; L713-L749 HydrophobicContact CD2-CD1 4.03Å; L713-L749 HydrophobicContact CD2-CG 4.47Å; L713-L749 HydrophobicContact CG-CB 4.05Å; L713-L749 HydrophobicContact CG-CD1 4.41Å; L713-K750 HydrophobicContact CD1-CG 4.34Å; L713-K750 HydrophobicContact CD2-CG 4.1Å; L713-Y1022 HydrophobicContact CB-CD1 4.29Å; L713-Y1022 HydrophobicContact CB-CD2 4.16Å; L713-Y1022 HydrophobicContact CB-CE1 4.4Å; L713-Y1022 HydrophobicContact CB-CE2 4.26Å; L713-Y1022 HydrophobicContact CB-CG 4.16Å; L713-Y1022 HydrophobicContact CD1-CD2 4.16Å; L713-Y1022 HydrophobicContact CD1-CE2 4.39Å
714Q84Confident86.8Confident21 Ų2134.6 Ų34.610%0.09816%0.162CC..Hα-helixtrans-63.1-40.2178.5-178.3-176.667.700112.7V303 K304 D710 A711 V712 N718 Y1022V303-Q714 WeakPolarHBondContact O-CG 3.49Å; V303-Q714 PolarHBondContact O-NE2 2.89Å; K304-Q714 HydrophobicContact CG-CG 4.45Å; D710-Q714 VanDerWaalsContact O-CB 3.31Å; D710-Q714 WeakPolarHBondContact O-CB 3.46Å; D710-Q714 PolarHBondContact O-N 2.84Å; A711-Q714 WeakPolarHBondContact O-CB 3.28Å; A711-Q714 PolarHBondContact O-N 2.84Å; V712-Q714 VanDerWaalsContact C-N 3.3Å; V712-Q714 PolarHBondContact O-N 3.12Å; Q714-N718 WeakPolarHBondContact CG-ND2 3.42Å; Q714-N718 VanDerWaalsContact O-CB 3.29Å; Q714-N718 WeakPolarHBondContact O-CB 3.21Å; Q714-N718 VanDerWaalsContact O-CG 3.25Å; Q714-N718 PolarHBondContact O-N 2.94Å; Q714-N718 PolarHBondContact O-ND2 3.37Å; Q714-Y1022 HydrophobicContact CB-CE1 4.1Å
715I87.4Confident87.4Confident59 Ų5932.9 Ų32.930%0.30316%0.159SC..Hα-helixtrans-62.2-55.3176.1-70.9162.7000110.2Y642 A711 V712 Y717 N718 E719Y642-I715 HydrophobicContact CD2-CD1 4.09Å; Y642-I715 HydrophobicContact CE2-CD1 3.52Å; A711-I715 VanDerWaalsContact O-CG1 3.26Å; A711-I715 WeakPolarHBondContact O-CG1 3.46Å; A711-I715 PolarHBondContact O-N 3.16Å; V712-I715 PolarHBondContact O-N 3.45Å; I715-Y717 VanDerWaalsContact C-N 3.28Å; I715-Y717 PolarHBondContact O-N 2.94Å; I715-N718 PolarHBondContact O-N 3.15Å; I715-E719 HydrophobicContact CG2-CG 4.41Å; I715-E719 WeakPolarHBondContact O-CB 3.37Å; I715-E719 WeakPolarHBondContact O-CG 3.33Å; I715-E719 PolarHBondContact O-N 2.89Å
716Y88.9Confident87.6Confident58 Ų5832.5 Ų32.523%0.22716%0.157CC..Hα-helixtrans-60.5-40-178.9-89.7-108.2000112.1T638 V712 L713 A720 I742 I745T638-Y716 HydrophobicContact CG2-CE2 3.55Å; T638-Y716 PolarHBondContact OG1-OH 3.34Å; V712-Y716 HydrophobicContact CG1-CD2 3.94Å; V712-Y716 HydrophobicContact CG1-CE2 4.05Å; V712-Y716 WeakPolarHBondContact O-CD2 3.5Å; V712-Y716 PolarHBondContact O-N 2.92Å; L713-Y716 PolarHBondContact O-N 2.83Å; Y716-A720 WeakPolarHBondContact O-CB 3.26Å; Y716-A720 PolarHBondContact O-N 2.9Å; Y716-A720 VanDerWaalsContact O-N 3.14Å; Y716-I742 HydrophobicContact CD1-CG1 4.28Å; Y716-I742 HydrophobicContact CD1-CG2 4.19Å; Y716-I745 HydrophobicContact CD1-CB 4.49Å; Y716-I745 HydrophobicContact CD1-CG2 4.04Å; Y716-I745 HydrophobicContact CE1-CB 4.34Å; Y716-I745 HydrophobicContact CE1-CG2 3.74Å
717Y89.1Confident88Confident15 Ų1529.2 Ų29.26%0.05914%0.142CC..Hα-helixtrans-63.7-52.8177.9-173.3-81.5000111.6L713 I715 E719 A720 L721 L746 V1018 Y1022 L1024L713-Y717 WeakPolarHBondContact O-CB 3.29Å; L713-Y717 PolarHBondContact O-N 3.4Å; I715-Y717 VanDerWaalsContact C-N 3.28Å; I715-Y717 PolarHBondContact O-N 2.94Å; Y717-E719 VanDerWaalsContact C-N 3.32Å; Y717-E719 PolarHBondContact O-N 2.95Å; Y717-A720 PolarHBondContact O-N 3.34Å; Y717-L721 HydrophobicContact CD1-CD1 4.31Å; Y717-L721 HydrophobicContact CD1-CG 4.32Å; Y717-L721 HydrophobicContact CE1-CD1 3.93Å; Y717-L721 HydrophobicContact CE1-CD2 3.89Å; Y717-L721 HydrophobicContact CE1-CG 4.02Å; Y717-L721 PolarHBondContact O-N 2.91Å; Y717-L746 HydrophobicContact CD2-CD1 4.42Å; Y717-V1018 HydrophobicContact CD1-CG1 4.12Å; Y717-V1018 HydrophobicContact CE1-CG1 3.13Å; Y717-V1018 WeakPolarHBondContact OH-CG1 3.17Å; Y717-Y1022 HydrophobicContact CD2-CD1 4.18Å; Y717-Y1022 HydrophobicContact CG-CD1 4.03Å; Y717-L1024 HydrophobicContact CD2-CD1 4.14Å; Y717-L1024 HydrophobicContact CD2-CD2 3.8Å; Y717-L1024 HydrophobicContact CD2-CG 3.73Å; Y717-L1024 HydrophobicContact CE1-CD2 4.42Å; Y717-L1024 HydrophobicContact CE2-CD1 4.47Å; Y717-L1024 HydrophobicContact CE2-CD2 3.32Å; Y717-L1024 HydrophobicContact CE2-CG 3.63Å
718N84.9Confident88.4Confident14 Ų1430.2 Ų30.28%0.07515%0.147CC..Hα-helixtrans-64.6-34.5-179-74-41.6000112.4V303 Q714 I715 L721V303-N718 PolarHBondContact N-OD1 3.5Å; V303-N718 PolarHBondContact O-ND2 3.41Å; Q714-N718 WeakPolarHBondContact CG-ND2 3.42Å; Q714-N718 VanDerWaalsContact O-CB 3.29Å; Q714-N718 WeakPolarHBondContact O-CB 3.21Å; Q714-N718 VanDerWaalsContact O-CG 3.25Å; Q714-N718 PolarHBondContact O-N 2.94Å; Q714-N718 PolarHBondContact O-ND2 3.37Å; I715-N718 PolarHBondContact O-N 3.15Å; N718-L721 WeakPolarHBondContact O-CB 3.2Å; N718-L721 PolarHBondContact O-N 3.05Å
719E86.6Confident88.7Confident72 Ų7230.1 Ų30.134%0.33615%0.148SC..Hα-helixtrans-66.6-38.8175.1-73.3-52.1132.600111.8I715 Y717 L721 K722 V725I715-E719 HydrophobicContact CG2-CG 4.41Å; I715-E719 WeakPolarHBondContact O-CB 3.37Å; I715-E719 WeakPolarHBondContact O-CG 3.33Å; I715-E719 PolarHBondContact O-N 2.89Å; Y717-E719 VanDerWaalsContact C-N 3.32Å; Y717-E719 PolarHBondContact O-N 2.95Å; E719-L721 PolarHBondContact O-N 3.37Å; E719-K722 PolarHBondContact O-N 3.24Å; E719-K722 IonicContact OE1-NZ 2.78Å; E719-K722 PolarHBondContact OE1-NZ 2.96Å; E719-K722 IonicContact OE2-NZ 2.95Å; E719-K722 PolarHBondContact OE2-NZ 2.91Å; E719-V725 HydrophobicContact CB-CG1 4.21Å; E719-V725 VanDerWaalsContact O-CB 3.32Å; E719-V725 WeakPolarHBondContact O-CB 3.45Å; E719-V725 WeakPolarHBondContact O-CG1 3.34Å
720A87.6Confident88.8Confident0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-69.3-17.1177.400000114.4Y716 Y717 K722 I742 L1024Y716-A720 WeakPolarHBondContact O-CB 3.26Å; Y716-A720 PolarHBondContact O-N 2.9Å; Y716-A720 VanDerWaalsContact O-N 3.14Å; Y717-A720 PolarHBondContact O-N 3.34Å; A720-K722 PolarHBondContact O-N 3.3Å; A720-I742 HydrophobicContact CB-CD1 4.12Å; A720-I742 HydrophobicContact CB-CG2 4.06Å; A720-L1024 HydrophobicContact CB-CD1 3.41Å; A720-L1024 VanDerWaalsContact CB-CD1 3.41Å
721L86.1Confident89.1Confident15 Ų1526.6 Ų26.68%0.07913%0.132CC..THydrogen-bonded Turntrans-71.8-17.8173.9-66.8-172.9000113.2Y717 N718 E719 N821 C822 N823 L1024Y717-L721 HydrophobicContact CD1-CD1 4.31Å; Y717-L721 HydrophobicContact CD1-CG 4.32Å; Y717-L721 HydrophobicContact CE1-CD1 3.93Å; Y717-L721 HydrophobicContact CE1-CD2 3.89Å; Y717-L721 HydrophobicContact CE1-CG 4.02Å; Y717-L721 PolarHBondContact O-N 2.91Å; N718-L721 WeakPolarHBondContact O-CB 3.2Å; N718-L721 PolarHBondContact O-N 3.05Å; E719-L721 PolarHBondContact O-N 3.37Å; L721-N821 PolarHBondContact O-ND2 3.29Å; L721-N821 PolarHBondContact O-OD1 2.96Å; L721-C822 HydrophobicContact CD2-CB 3.9Å; L721-N823 HydrophobicContact CB-CB 4.07Å; L721-N823 HydrophobicContact CD2-CB 4.24Å; L721-N823 WeakPolarHBondContact O-CB 3.28Å; L721-L1024 HydrophobicContact CD2-CD2 4.34Å
722K86.5Confident89.2Confident85 Ų8530.5 Ų30.537%0.3715%0.148SC..SBendtrans-87.2123.8-178.1-54.6177.8-169.1160.10109.9E719 A720 N724 V725 L726E719-K722 PolarHBondContact O-N 3.24Å; E719-K722 IonicContact OE1-NZ 2.78Å; E719-K722 PolarHBondContact OE1-NZ 2.96Å; E719-K722 IonicContact OE2-NZ 2.95Å; E719-K722 PolarHBondContact OE2-NZ 2.91Å; A720-K722 PolarHBondContact O-N 3.3Å; K722-N724 VanDerWaalsContact C-N 3.29Å; K722-N724 VanDerWaalsContact CB-OD1 3.27Å; K722-N724 WeakPolarHBondContact CB-OD1 3.35Å; K722-N724 PolarHBondContact O-N 3.02Å; K722-V725 HydrophobicContact CB-CB 4.24Å; K722-V725 HydrophobicContact CB-CG2 4.01Å; K722-V725 HydrophobicContact CD-CG2 4.09Å; K722-V725 PolarHBondContact O-N 3.08Å; K722-V725 VanDerWaalsContact O-N 3.16Å; K722-L726 PolarHBondContact O-N 2.94Å
723P90.3Very high89.2Confident7 Ų730.9 Ų30.95%0.04515%0.149CC..Hα-helixtrans-54.4-40.7-177.2-25.729.6000114.3N727 D826 N828 C830 V1005P723-N727 VanDerWaalsContact O-CB 3.27Å; P723-N727 WeakPolarHBondContact O-CB 3.35Å; P723-N727 PolarHBondContact O-N 3.38Å; P723-D826 WeakPolarHBondContact CD-OD2 3.41Å; P723-D826 WeakPolarHBondContact CG-OD2 3.34Å; P723-N828 WeakPolarHBondContact CG-O 3.46Å; P723-C830 HydrophobicContact CB-CB 3.72Å; P723-V1005 HydrophobicContact CB-CB 4.42Å; P723-V1005 HydrophobicContact CB-CG1 4.01Å
724N90.3Very high89.2Confident61 Ų6130.9 Ų30.933%0.32615%0.149SC..Hα-helixtrans-64.9-41.7-179.764.1-41.3000113.3K722 T728 Y895K722-N724 VanDerWaalsContact C-N 3.29Å; K722-N724 VanDerWaalsContact CB-OD1 3.27Å; K722-N724 WeakPolarHBondContact CB-OD1 3.35Å; K722-N724 PolarHBondContact O-N 3.02Å; N724-T728 WeakPolarHBondContact O-CB 3.45Å; N724-T728 PolarHBondContact O-N 2.87Å; N724-T728 PolarHBondContact O-OG1 2.79Å; N724-Y895 HydrophobicContact CB-CE1 3.42Å; N724-Y895 VanDerWaalsContact CB-CE1 3.42Å; N724-Y895 WeakPolarHBondContact CB-OH 3.44Å
725V91.2Very high89.3Confident38 Ų3831.1 Ų31.123%0.2315%0.151CC..Hα-helixtrans-70.3-44.7-179.8177.10000109.6E719 K722 N727 T728 H729E719-V725 HydrophobicContact CB-CG1 4.21Å; E719-V725 VanDerWaalsContact O-CB 3.32Å; E719-V725 WeakPolarHBondContact O-CB 3.45Å; E719-V725 WeakPolarHBondContact O-CG1 3.34Å; K722-V725 HydrophobicContact CB-CB 4.24Å; K722-V725 HydrophobicContact CB-CG2 4.01Å; K722-V725 HydrophobicContact CD-CG2 4.09Å; K722-V725 PolarHBondContact O-N 3.08Å; K722-V725 VanDerWaalsContact O-N 3.16Å; V725-N727 PolarHBondContact O-N 2.56Å; V725-T728 PolarHBondContact O-N 3.45Å; V725-H729 WeakPolarHBondContact O-CB 3.14Å; V725-H729 PolarHBondContact O-N 3.5Å
726L92.2Very high89.1Confident1 Ų131.3 Ų31.31%0.00515%0.148CC..Hα-helixtrans-59.4-45.9175.4-179.258.3000111.5K722 T728 H729 L730 V819 V1005 F1026K722-L726 PolarHBondContact O-N 2.94Å; L726-T728 PolarHBondContact O-N 3.26Å; L726-H729 PolarHBondContact O-N 3.01Å; L726-L730 HydrophobicContact CD1-CD1 4.08Å; L726-L730 HydrophobicContact CD1-CG 4.2Å; L726-L730 HydrophobicContact CG-CD1 4.09Å; L726-L730 VanDerWaalsContact O-CG 3.29Å; L726-L730 WeakPolarHBondContact O-CG 3.43Å; L726-L730 PolarHBondContact O-N 2.87Å; L726-V819 HydrophobicContact CD2-CG2 4.25Å; L726-V1005 HydrophobicContact CB-CG2 4.46Å; L726-V1005 HydrophobicContact CD2-CG1 4.15Å; L726-V1005 HydrophobicContact CD2-CG2 4.4Å; L726-V1005 HydrophobicContact CG-CG2 4.3Å; L726-F1026 HydrophobicContact CD1-CD1 4.14Å; L726-F1026 HydrophobicContact CD1-CE1 3.66Å; L726-F1026 HydrophobicContact CD1-CE2 4.33Å; L726-F1026 HydrophobicContact CD1-CZ 3.76Å
727N93.8Very high88.8Confident1 Ų130 Ų301%0.00514%0.143CC..Hα-helixtrans-57.4-52.2177.5-170.8-64.8000111.4P723 V725 H729 L730 Q731 C830 A832 V1003 V1005P723-N727 VanDerWaalsContact O-CB 3.27Å; P723-N727 WeakPolarHBondContact O-CB 3.35Å; P723-N727 PolarHBondContact O-N 3.38Å; V725-N727 PolarHBondContact O-N 2.56Å; N727-H729 VanDerWaalsContact C-N 3.34Å; N727-H729 PolarHBondContact O-N 2.92Å; N727-L730 PolarHBondContact O-N 2.95Å; N727-Q731 WeakPolarHBondContact O-CG 3.48Å; N727-Q731 PolarHBondContact O-N 2.79Å; N727-Q731 VanDerWaalsContact O-N 3.15Å; N727-Q731 PolarHBondContact OD1-NE2 2.78Å; N727-C830 HydrophobicContact CB-CB 4.38Å; N727-C830 VanDerWaalsContact CB-SG 3.58Å; N727-C830 PolarHBondContact ND2-O 3.18Å; N727-C830 VanDerWaalsContact ND2-O 3.08Å; N727-A832 WeakPolarHBondContact OD1-CB 3.28Å; N727-V1003 PolarHBondContact ND2-O 3.44Å; N727-V1005 HydrophobicContact CB-CG2 3.73Å
728T91.3Very high88.4Confident42 Ų4231.7 Ų31.726%0.25815%0.152SC..Hα-helixtrans-63.4-39.3179.5-55.40000112.1N724 V725 L726 L730 Q731 F732N724-T728 WeakPolarHBondContact O-CB 3.45Å; N724-T728 PolarHBondContact O-N 2.87Å; N724-T728 PolarHBondContact O-OG1 2.79Å; V725-T728 PolarHBondContact O-N 3.45Å; L726-T728 PolarHBondContact O-N 3.26Å; T728-L730 PolarHBondContact O-N 3.48Å; T728-Q731 WeakPolarHBondContact O-CB 3.22Å; T728-Q731 PolarHBondContact O-N 3.46Å; T728-F732 HydrophobicContact CG2-CD2 4.02Å; T728-F732 HydrophobicContact CG2-CE2 3.57Å; T728-F732 HydrophobicContact CG2-CZ 4.24Å; T728-F732 WeakPolarHBondContact O-CD2 3.31Å; T728-F732 PolarHBondContact O-N 3.21Å; T728-F732 VanDerWaalsContact O-N 3.1Å
729H91.7Very high88.4Confident36 Ų3631.9 Ų31.917%0.16716%0.155CC..Hα-helixtrans-61.4-44.6177.3176.968.5000112V725 L726 N727 Q731 F732 Y733 Y740 L741 I742V725-H729 WeakPolarHBondContact O-CB 3.14Å; V725-H729 PolarHBondContact O-N 3.5Å; L726-H729 PolarHBondContact O-N 3.01Å; N727-H729 VanDerWaalsContact C-N 3.34Å; N727-H729 PolarHBondContact O-N 2.92Å; H729-Q731 VanDerWaalsContact C-N 3.34Å; H729-Q731 PolarHBondContact O-N 2.81Å; H729-F732 PolarHBondContact O-N 2.61Å; H729-Y733 WeakPolarHBondContact O-CB 3.39Å; H729-Y733 PolarHBondContact O-N 2.84Å; H729-Y740 PolarHBondContact CE1-O 3.49Å; H729-Y740 VanDerWaalsContact CE1-O 3.31Å; H729-L741 WeakPolarHBondContact NE2-CA 3.11Å; H729-I742 HydrophobicContact CB-CD1 4.16Å; H729-I742 PolarHBondContact CE1-N 3.47Å; H729-I742 PolarHBondContact NE2-N 3.08Å
730L92.8Very high88.6Confident0 Ų031.2 Ų31.20%015%0.15CC..Hα-helixtrans-65.4-36.2178.1-68.7169.5000112.3L726 N727 T728 Y733 L734 L741 L817 V819 V1003 L1105L726-L730 HydrophobicContact CD1-CD1 4.08Å; L726-L730 HydrophobicContact CD1-CG 4.2Å; L726-L730 HydrophobicContact CG-CD1 4.09Å; L726-L730 VanDerWaalsContact O-CG 3.29Å; L726-L730 WeakPolarHBondContact O-CG 3.43Å; L726-L730 PolarHBondContact O-N 2.87Å; N727-L730 PolarHBondContact O-N 2.95Å; T728-L730 PolarHBondContact O-N 3.48Å; L730-Y733 PolarHBondContact O-N 3.33Å; L730-L734 WeakPolarHBondContact O-CG 3.12Å; L730-L734 PolarHBondContact O-N 2.93Å; L730-L741 HydrophobicContact CD2-CD2 4.18Å; L730-L817 HydrophobicContact CB-CD2 3.99Å; L730-L817 HydrophobicContact CD1-CD2 4.11Å; L730-L817 HydrophobicContact CD2-CD2 4.44Å; L730-L817 HydrophobicContact CG-CD2 4.41Å; L730-V819 HydrophobicContact CD1-CB 4.4Å; L730-V819 HydrophobicContact CD1-CG1 3.95Å; L730-V819 HydrophobicContact CD1-CG2 3.6Å; L730-V1003 HydrophobicContact CB-CG1 4.22Å; L730-V1003 HydrophobicContact CD1-CG1 4.32Å; L730-L1105 HydrophobicContact CD2-CD2 3.74Å
731Q90.9Very high88.8Confident20 Ų2031.3 Ų31.39%0.09315%0.151CC..Hα-helixtrans-59.4-51.1171.7-63.8170.234.100111.1N727 T728 H729 Y733 L734 L735 I834 L1001 V1003N727-Q731 WeakPolarHBondContact O-CG 3.48Å; N727-Q731 PolarHBondContact O-N 2.79Å; N727-Q731 VanDerWaalsContact O-N 3.15Å; N727-Q731 PolarHBondContact OD1-NE2 2.78Å; T728-Q731 WeakPolarHBondContact O-CB 3.22Å; T728-Q731 PolarHBondContact O-N 3.46Å; H729-Q731 VanDerWaalsContact C-N 3.34Å; H729-Q731 PolarHBondContact O-N 2.81Å; Q731-Y733 VanDerWaalsContact C-N 3.32Å; Q731-Y733 PolarHBondContact O-N 3.44Å; Q731-L734 PolarHBondContact O-N 2.83Å; Q731-L735 WeakPolarHBondContact O-CB 3.34Å; Q731-L735 VanDerWaalsContact O-CG 3.27Å; Q731-L735 WeakPolarHBondContact O-CG 3.43Å; Q731-L735 PolarHBondContact O-N 3.31Å; Q731-I834 HydrophobicContact CG-CG1 4.17Å; Q731-L1001 HydrophobicContact CB-CD2 4.34Å; Q731-L1001 HydrophobicContact CG-CD2 4.26Å; Q731-V1003 HydrophobicContact CG-CB 4.43Å; Q731-V1003 HydrophobicContact CG-CG2 3.75Å
732F87.5Confident89Confident90 Ų9031.1 Ų31.140%0.39515%0.15SC..Hα-helixtrans-63.6-38.3179-72.6-44.1000112.8T728 H729 L735 R736T728-F732 HydrophobicContact CG2-CD2 4.02Å; T728-F732 HydrophobicContact CG2-CE2 3.57Å; T728-F732 HydrophobicContact CG2-CZ 4.24Å; T728-F732 WeakPolarHBondContact O-CD2 3.31Å; T728-F732 PolarHBondContact O-N 3.21Å; T728-F732 VanDerWaalsContact O-N 3.1Å; H729-F732 PolarHBondContact O-N 2.61Å; F732-L735 PolarHBondContact O-N 2.86Å; F732-R736 VanDerWaalsContact O-CB 3.3Å; F732-R736 WeakPolarHBondContact O-CB 3.47Å; F732-R736 PolarHBondContact O-N 3.1Å
733Y89.7Confident89.2Confident9 Ų928.5 Ų28.54%0.03514%0.141CC..Hα-helixtrans-57.3-51.8174.2-176-106.6000110H729 L730 Q731 L735 A739 L741 L1105 R1109H729-Y733 WeakPolarHBondContact O-CB 3.39Å; H729-Y733 PolarHBondContact O-N 2.84Å; L730-Y733 PolarHBondContact O-N 3.33Å; Q731-Y733 VanDerWaalsContact C-N 3.32Å; Q731-Y733 PolarHBondContact O-N 3.44Å; Y733-L735 VanDerWaalsContact C-N 3.35Å; Y733-L735 PolarHBondContact O-N 3.3Å; Y733-A739 HydrophobicContact CD2-CB 4.35Å; Y733-A739 WeakPolarHBondContact CE2-O 3.33Å; Y733-L741 HydrophobicContact CD1-CD2 3.69Å; Y733-L741 HydrophobicContact CD1-CG 4.3Å; Y733-L741 HydrophobicContact CD2-CD2 3.71Å; Y733-L741 HydrophobicContact CD2-CG 3.85Å; Y733-L741 HydrophobicContact CE1-CD1 4.25Å; Y733-L741 HydrophobicContact CE1-CD2 3.84Å; Y733-L741 HydrophobicContact CE1-CG 3.99Å; Y733-L741 HydrophobicContact CE2-CB 4.47Å; Y733-L741 HydrophobicContact CE2-CD1 4.39Å; Y733-L741 HydrophobicContact CE2-CD2 3.9Å; Y733-L741 HydrophobicContact CE2-CG 3.54Å; Y733-L741 HydrophobicContact CG-CD2 3.59Å; Y733-L741 HydrophobicContact CG-CG 4.21Å; Y733-L1105 HydrophobicContact CD1-CD1 4.24Å; Y733-L1105 HydrophobicContact CD1-CD2 4.02Å; Y733-L1105 HydrophobicContact CD1-CG 4.14Å; Y733-L1105 HydrophobicContact CE1-CD1 4.35Å; Y733-L1105 HydrophobicContact CE1-CD2 3.9Å; Y733-L1105 HydrophobicContact CE1-CG 3.84Å; Y733-R1109 VanDerWaalsContact CD1-NH1 3.26Å; Y733-R1109 HydrophobicContact CE1-CB 4.48Å; Y733-R1109 HydrophobicContact CE1-CG 4.49Å; Y733-R1109 VanDerWaalsContact CE1-NH1 3.28Å; Y733-R1109 VanDerWaalsContact CE2-CZ 3.44Å; Y733-R1109 PolarHBondContact O-NH1 3.26Å; Y733-R1109 WeakPolarHBondContact OH-CD 3.39Å
734L89.5Confident89.3Confident4 Ų430 Ų302%0.02115%0.148CC..Hα-helixtrans-66.5-32.2-178.7-71.9175000114.1L730 Q731 L817 L1001 I1102 L1105 F1108 I1112L730-L734 WeakPolarHBondContact O-CG 3.12Å; L730-L734 PolarHBondContact O-N 2.93Å; Q731-L734 PolarHBondContact O-N 2.83Å; L734-L817 HydrophobicContact CD1-CD2 3.94Å; L734-L1001 HydrophobicContact CB-CD2 4.35Å; L734-L1001 HydrophobicContact CD1-CD1 3.66Å; L734-L1001 HydrophobicContact CD1-CD2 4.06Å; L734-I1102 HydrophobicContact CD1-CD1 3.82Å; L734-I1102 HydrophobicContact CD2-CD1 4.42Å; L734-L1105 HydrophobicContact CD1-CD1 4.45Å; L734-L1105 HydrophobicContact CD2-CD1 3.73Å; L734-L1105 HydrophobicContact CG-CD1 4.17Å; L734-F1108 HydrophobicContact CD2-CD1 3.83Å; L734-F1108 HydrophobicContact CD2-CE1 4.09Å; L734-I1112 HydrophobicContact CD2-CD1 4.19Å
735L86.5Confident89.4Confident27 Ų2727.3 Ų27.314%0.14113%0.134CC..Hα-helixtrans-90.8-16.9-173.8-63.9173.8000114.4Q731 F732 Y733 T807 S808 L810 L836 L1001Q731-L735 WeakPolarHBondContact O-CB 3.34Å; Q731-L735 VanDerWaalsContact O-CG 3.27Å; Q731-L735 WeakPolarHBondContact O-CG 3.43Å; Q731-L735 PolarHBondContact O-N 3.31Å; F732-L735 PolarHBondContact O-N 2.86Å; Y733-L735 VanDerWaalsContact C-N 3.35Å; Y733-L735 PolarHBondContact O-N 3.3Å; L735-T807 WeakPolarHBondContact O-CA 3.44Å; L735-S808 WeakPolarHBondContact CA-OG 3.48Å; L735-S808 PolarHBondContact O-N 2.91Å; L735-L810 HydrophobicContact CD2-CD1 4.34Å; L735-L836 HydrophobicContact CD1-CD2 4.18Å; L735-L836 HydrophobicContact CD2-CD1 3.96Å; L735-L836 HydrophobicContact CD2-CD2 4.09Å; L735-L1001 HydrophobicContact CG-CD2 4.47Å
736R84.5Confident89.4Confident63 Ų6325.6 Ų25.624%0.23812%0.123CC..BIsolated β-bridgetrans-119.8131.3-174.9-60.3178.3179.4-175.1-2.6111.9F732 A739 I805 S881 R1109F732-R736 VanDerWaalsContact O-CB 3.3Å; F732-R736 WeakPolarHBondContact O-CB 3.47Å; F732-R736 PolarHBondContact O-N 3.1Å; R736-A739 HydrophobicContact CB-CB 4.03Å; R736-I805 HydrophobicContact CB-CG2 4.29Å; R736-I805 HydrophobicContact CG-CG2 4.36Å; R736-S881 PolarHBondContact NH2-OG 3.02Å; R736-R1109 PolarHBondContact O-NH2 3.26Å
737K82Confident89.4Confident31 Ų3128.1 Ų28.114%0.13514%0.141CC..THydrogen-bonded Turntrans-62.5-51.1-179.2-175.7171.5-173155.10114A739 D806 R1109 Y1114 T1116 R1118 V1120K737-A739 PolarHBondContact O-N 3.37Å; K737-D806 HydrophobicContact CB-CB 3.99Å; K737-D806 WeakPolarHBondContact CB-O 3.48Å; K737-D806 HydrophobicContact CD-CB 3.77Å; K737-D806 WeakPolarHBondContact CD-OD2 3.41Å; K737-D806 PolarHBondContact N-O 2.97Å; K737-D806 IonicContact NZ-OD2 3.77Å; K737-D806 PolarHBondContact NZ-OD2 2.94Å; K737-R1109 PolarHBondContact O-NH2 2.97Å; K737-Y1114 HydrophobicContact CB-CD1 3.53Å; K737-Y1114 HydrophobicContact CB-CE1 3.66Å; K737-Y1114 HydrophobicContact CB-CG 4Å; K737-Y1114 HydrophobicContact CD-CD1 4.38Å; K737-Y1114 HydrophobicContact CD-CD2 4.37Å; K737-Y1114 HydrophobicContact CD-CG 4.03Å; K737-Y1114 HydrophobicContact CG-CD1 4.18Å; K737-Y1114 HydrophobicContact CG-CD2 4.31Å; K737-Y1114 HydrophobicContact CG-CE1 4.34Å; K737-Y1114 HydrophobicContact CG-CE2 4.5Å; K737-Y1114 HydrophobicContact CG-CG 4.15Å; K737-T1116 PolarHBondContact NZ-OG1 3.49Å; K737-R1118 PolarHBondContact NZ-O 3.08Å; K737-V1120 HydrophobicContact CG-CG2 4.07Å
738E80.6Confident89.4Confident50 Ų5028.3 Ų28.323%0.23414%0.143CC..THydrogen-bonded Turntrans-91.743-173.9-57177176.500111S628 K803S628-E738 WeakPolarHBondContact CB-OE2 3.39Å; S628-E738 PolarHBondContact OG-OE2 3.34Å; E738-K803 IonicContact OE1-NZ 2.7Å; E738-K803 PolarHBondContact OE1-NZ 2.88Å
739A85.8Confident89.5Confident18 Ų1826.3 Ų26.315%0.14913%0.13CC..  trans-110.5139.7176.800000110.9Y733 R736 K737 R1109Y733-A739 HydrophobicContact CD2-CB 4.35Å; Y733-A739 WeakPolarHBondContact CE2-O 3.33Å; R736-A739 HydrophobicContact CB-CB 4.03Å; K737-A739 PolarHBondContact O-N 3.37Å; A739-R1109 PolarHBondContact O-NH2 3.21Å; A739-R1109 VanDerWaalsContact O-NH2 3.08Å
740Y90.3Very high89.5Confident58 Ų5827.8 Ų27.823%0.22714%0.136CC..  trans-114.2151.1176.5-62.5-75.7000110.1S628 K629 T630 K631 M634 H729 I745S628-Y740 PolarHBondContact O-OH 2.84Å; K629-Y740 PolarHBondContact O-OH 2.88Å; T630-Y740 VanDerWaalsContact CA-OH 3.22Å; T630-Y740 WeakPolarHBondContact CA-OH 3.44Å; T630-Y740 PolarHBondContact N-OH 3.25Å; K631-Y740 HydrophobicContact CB-CD1 3.76Å; K631-Y740 HydrophobicContact CB-CD2 4.24Å; K631-Y740 HydrophobicContact CB-CE1 4.01Å; K631-Y740 HydrophobicContact CB-CE2 4.46Å; K631-Y740 HydrophobicContact CB-CG 3.89Å; M634-Y740 HydrophobicContact CE-CD2 3.72Å; M634-Y740 HydrophobicContact CE-CE2 4.12Å; M634-Y740 HydrophobicContact SD-CD2 3.88Å; H729-Y740 PolarHBondContact CE1-O 3.49Å; H729-Y740 VanDerWaalsContact CE1-O 3.31Å; Y740-I745 HydrophobicContact CG-CD1 4.47Å
741L91.3Very high89.4Confident2 Ų234.1 Ų34.11%0.0117%0.17CC..  trans-70.4150.7173.3-69.2171.1000110.5H729 L730 Y733 T743 D744 I745 F1026 L1105 F1106H729-L741 WeakPolarHBondContact NE2-CA 3.11Å; L730-L741 HydrophobicContact CD2-CD2 4.18Å; Y733-L741 HydrophobicContact CD1-CD2 3.69Å; Y733-L741 HydrophobicContact CD1-CG 4.3Å; Y733-L741 HydrophobicContact CD2-CD2 3.71Å; Y733-L741 HydrophobicContact CD2-CG 3.85Å; Y733-L741 HydrophobicContact CE1-CD1 4.25Å; Y733-L741 HydrophobicContact CE1-CD2 3.84Å; Y733-L741 HydrophobicContact CE1-CG 3.99Å; Y733-L741 HydrophobicContact CE2-CB 4.47Å; Y733-L741 HydrophobicContact CE2-CD1 4.39Å; Y733-L741 HydrophobicContact CE2-CD2 3.9Å; Y733-L741 HydrophobicContact CE2-CG 3.54Å; Y733-L741 HydrophobicContact CG-CD2 3.59Å; Y733-L741 HydrophobicContact CG-CG 4.21Å; L741-T743 WeakPolarHBondContact CB-OG1 3.14Å; L741-T743 PolarHBondContact O-N 3.06Å; L741-D744 WeakPolarHBondContact O-CB 3.38Å; L741-D744 PolarHBondContact O-N 2.81Å; L741-I745 PolarHBondContact O-N 2.63Å; L741-I745 VanDerWaalsContact O-N 3.1Å; L741-F1026 HydrophobicContact CB-CE2 4.24Å; L741-F1026 HydrophobicContact CD1-CD2 4.38Å; L741-F1026 HydrophobicContact CD2-CD2 4.22Å; L741-F1026 HydrophobicContact CD2-CE2 4.08Å; L741-L1105 HydrophobicContact CD1-CD2 4.07Å; L741-L1105 HydrophobicContact CD2-CD2 3.86Å; L741-F1106 HydrophobicContact CD1-CE1 3.78Å; L741-F1106 HydrophobicContact CD1-CE2 4.34Å; L741-F1106 HydrophobicContact CD1-CZ 3.53Å
742I90.8Very high89.5Confident11 Ų1133.8 Ų33.86%0.05617%0.169CC..Hα-helixtrans-54.5-36.4171.7-73159000110.8Y716 A720 H729 D744 I745 L746 L1024 F1026Y716-I742 HydrophobicContact CD1-CG1 4.28Å; Y716-I742 HydrophobicContact CD1-CG2 4.19Å; A720-I742 HydrophobicContact CB-CD1 4.12Å; A720-I742 HydrophobicContact CB-CG2 4.06Å; H729-I742 HydrophobicContact CB-CD1 4.16Å; H729-I742 PolarHBondContact CE1-N 3.47Å; H729-I742 PolarHBondContact NE2-N 3.08Å; I742-D744 VanDerWaalsContact C-N 3.34Å; I742-D744 PolarHBondContact O-N 2.73Å; I742-I745 PolarHBondContact O-N 2.83Å; I742-L746 HydrophobicContact CG2-CD1 3.8Å; I742-L746 HydrophobicContact CG2-CG 4.05Å; I742-L746 WeakPolarHBondContact O-CB 3.43Å; I742-L746 VanDerWaalsContact O-CG 3.29Å; I742-L746 WeakPolarHBondContact O-CG 3.44Å; I742-L746 PolarHBondContact O-N 3.49Å; I742-L1024 HydrophobicContact CG2-CD1 4.23Å; I742-F1026 HydrophobicContact CB-CZ 4.22Å
743T90.6Very high89.7Confident30 Ų3031.7 Ų31.718%0.18417%0.165CC..Hα-helixtrans-59.9-40.417548.60000112.9L741 S747 L1024 F1026L741-T743 WeakPolarHBondContact CB-OG1 3.14Å; L741-T743 PolarHBondContact O-N 3.06Å; T743-S747 VanDerWaalsContact O-CB 3.3Å; T743-S747 WeakPolarHBondContact O-CB 3.38Å; T743-S747 PolarHBondContact O-N 3.48Å; T743-L1024 HydrophobicContact CG2-CB 3.92Å; T743-L1024 WeakPolarHBondContact CG2-O 3.43Å; T743-F1026 HydrophobicContact CG2-CD1 4.3Å; T743-F1026 HydrophobicContact CG2-CD2 4.01Å; T743-F1026 HydrophobicContact CG2-CE1 4.12Å; T743-F1026 HydrophobicContact CG2-CE2 3.82Å; T743-F1026 HydrophobicContact CG2-CG 4.26Å; T743-F1026 HydrophobicContact CG2-CZ 3.89Å
744D91.6Very high89.8Confident38 Ų3832.9 Ų32.920%0.20317%0.173CC..Hα-helixtrans-67-41.4176.2-71.3-49.7000111.6K631 L741 I742 S747 A748K631-D744 HydrophobicContact CD-CB 3.93Å; L741-D744 WeakPolarHBondContact O-CB 3.38Å; L741-D744 PolarHBondContact O-N 2.81Å; I742-D744 VanDerWaalsContact C-N 3.34Å; I742-D744 PolarHBondContact O-N 2.73Å; D744-S747 PolarHBondContact O-N 2.89Å; D744-A748 WeakPolarHBondContact O-CB 3.38Å; D744-A748 PolarHBondContact O-N 3.31Å
745I92.1Very high89.9Confident4 Ų435.7 Ų35.72%0.02120%0.197CC..Hα-helixtrans-66.9-45.7177.7-60.3-60.1000110.8K631 M634 A635 Y716 Y740 L741 I742 S747 A748 L749K631-I745 HydrophobicContact CB-CD1 4.2Å; M634-I745 HydrophobicContact CB-CD1 4Å; M634-I745 HydrophobicContact CG-CD1 4Å; M634-I745 HydrophobicContact SD-CD1 3.84Å; A635-I745 HydrophobicContact CB-CG2 4.32Å; Y716-I745 HydrophobicContact CD1-CB 4.49Å; Y716-I745 HydrophobicContact CD1-CG2 4.04Å; Y716-I745 HydrophobicContact CE1-CB 4.34Å; Y716-I745 HydrophobicContact CE1-CG2 3.74Å; Y740-I745 HydrophobicContact CG-CD1 4.47Å; L741-I745 PolarHBondContact O-N 2.63Å; L741-I745 VanDerWaalsContact O-N 3.1Å; I742-I745 PolarHBondContact O-N 2.83Å; I745-S747 VanDerWaalsContact C-N 3.3Å; I745-S747 PolarHBondContact O-N 2.96Å; I745-A748 PolarHBondContact O-N 3.2Å; I745-L749 HydrophobicContact CG2-CD1 3.96Å; I745-L749 HydrophobicContact CG2-CG 4.3Å; I745-L749 WeakPolarHBondContact O-CB 3.25Å; I745-L749 VanDerWaalsContact O-CG 3.26Å; I745-L749 WeakPolarHBondContact O-CG 3.46Å; I745-L749 PolarHBondContact O-N 2.76Å
746L92.5Very high90.2Very high3 Ų337.6 Ų37.62%0.01621%0.208CC..Hα-helixtrans-59.3-41.1174.7-72.7173.8000111.7L713 Y717 I742 K750 L1024L713-L746 HydrophobicContact CD2-CD2 3.74Å; Y717-L746 HydrophobicContact CD2-CD1 4.42Å; I742-L746 HydrophobicContact CG2-CD1 3.8Å; I742-L746 HydrophobicContact CG2-CG 4.05Å; I742-L746 WeakPolarHBondContact O-CB 3.43Å; I742-L746 VanDerWaalsContact O-CG 3.29Å; I742-L746 WeakPolarHBondContact O-CG 3.44Å; I742-L746 PolarHBondContact O-N 3.49Å; L746-K750 WeakPolarHBondContact O-CG 3.36Å; L746-K750 PolarHBondContact O-N 3.02Å; L746-L1024 HydrophobicContact CD1-CD1 3.59Å; L746-L1024 HydrophobicContact CD1-CG 4.07Å
747S92.3Very high90.6Very high54 Ų5435.6 Ų35.638%0.37820%0.201SC..Hα-helixtrans-65.5-41.3176.1-177.30000112.3T743 D744 I745 N751T743-S747 VanDerWaalsContact O-CB 3.3Å; T743-S747 WeakPolarHBondContact O-CB 3.38Å; T743-S747 PolarHBondContact O-N 3.48Å; D744-S747 PolarHBondContact O-N 2.89Å; I745-S747 VanDerWaalsContact C-N 3.3Å; I745-S747 PolarHBondContact O-N 2.96Å; S747-N751 PolarHBondContact O-ND2 3.49Å
748A94.1Very high91Very high4 Ų435.5 Ų35.53%0.03321%0.206CC..Hα-helixtrans-62.1-52.6174.500000110.7K631 E632 A635 D744 I745 K750 N751 L752K631-A748 HydrophobicContact CG-CB 4.24Å; E632-A748 HydrophobicContact CG-CB 4.37Å; A635-A748 HydrophobicContact CB-CB 3.97Å; D744-A748 WeakPolarHBondContact O-CB 3.38Å; D744-A748 PolarHBondContact O-N 3.31Å; I745-A748 PolarHBondContact O-N 3.2Å; A748-K750 VanDerWaalsContact C-N 3.27Å; A748-K750 PolarHBondContact O-N 2.86Å; A748-K750 VanDerWaalsContact O-N 3.16Å; A748-N751 PolarHBondContact O-N 3.37Å; A748-L752 WeakPolarHBondContact O-CG 3.25Å
749L93.3Very high91.6Very high0 Ų035.9 Ų35.90%022%0.218CC..Hα-helixtrans-50.4-43.1-178.2-76.2167.8000113A635 L639 R709 V712 L713 I745 N751 L752A635-L749 HydrophobicContact CB-CD2 3.88Å; A635-L749 HydrophobicContact CB-CG 3.95Å; L639-L749 HydrophobicContact CD1-CD2 3.69Å; L639-L749 HydrophobicContact CD2-CD2 3.88Å; L639-L749 HydrophobicContact CG-CD2 3.61Å; R709-L749 VanDerWaalsContact CD-O 3.25Å; R709-L749 WeakPolarHBondContact CD-O 3.27Å; V712-L749 HydrophobicContact CG1-CD1 3.81Å; V712-L749 HydrophobicContact CG1-CD2 4.05Å; L713-L749 HydrophobicContact CD2-CB 3.58Å; L713-L749 HydrophobicContact CD2-CD1 4.03Å; L713-L749 HydrophobicContact CD2-CG 4.47Å; L713-L749 HydrophobicContact CG-CB 4.05Å; L713-L749 HydrophobicContact CG-CD1 4.41Å; I745-L749 HydrophobicContact CG2-CD1 3.96Å; I745-L749 HydrophobicContact CG2-CG 4.3Å; I745-L749 WeakPolarHBondContact O-CB 3.25Å; I745-L749 VanDerWaalsContact O-CG 3.26Å; I745-L749 WeakPolarHBondContact O-CG 3.46Å; I745-L749 PolarHBondContact O-N 2.76Å; L749-N751 PolarHBondContact O-N 2.87Å; L749-L752 HydrophobicContact CD2-CD1 4.33Å; L749-L752 PolarHBondContact O-N 3.09Å
750K90.1Very high92Very high68 Ų6835.3 Ų35.330%0.29621%0.212SC..Hα-helixtrans-58.3-29-179.9-72.2173.8-166.8-179.80114.3L713 L746 A748 S1021 Y1022 C1023L713-K750 HydrophobicContact CD1-CG 4.34Å; L713-K750 HydrophobicContact CD2-CG 4.1Å; L746-K750 WeakPolarHBondContact O-CG 3.36Å; L746-K750 PolarHBondContact O-N 3.02Å; A748-K750 VanDerWaalsContact C-N 3.27Å; A748-K750 PolarHBondContact O-N 2.86Å; A748-K750 VanDerWaalsContact O-N 3.16Å; K750-S1021 WeakPolarHBondContact CE-O 3.37Å; K750-S1021 PolarHBondContact NZ-O 3.2Å; K750-Y1022 WeakPolarHBondContact CE-O 3.31Å; K750-Y1022 VanDerWaalsContact NZ-C 3.31Å; K750-Y1022 PolarHBondContact NZ-O 3.21Å; K750-C1023 PolarHBondContact NZ-SG 3.35Å
751N90.5Very high92Very high132 Ų13233.6 Ų33.671%0.70621%0.206SC*.THydrogen-bonded Turntrans-102.50.1-172.1-62.9-57.8000113.5S747 A748 L749S747-N751 PolarHBondContact O-ND2 3.49Å; A748-N751 PolarHBondContact O-N 3.37Å; L749-N751 PolarHBondContact O-N 2.87Å
752L93.7Very high92.1Very high14 Ų1438.6 Ų38.67%0.07323%0.229CC..  trans-81.9148.4-178.4-62.5172.9000111.8E632 A635 L636 L639 F705 A748 L749 D756E632-L752 HydrophobicContact CB-CD2 4.46Å; A635-L752 HydrophobicContact CB-CD1 3.8Å; L636-L752 HydrophobicContact CD1-CD2 4.1Å; L636-L752 HydrophobicContact CD2-CB 4.32Å; L636-L752 HydrophobicContact CD2-CD1 3.73Å; L636-L752 HydrophobicContact CD2-CD2 3.91Å; L636-L752 HydrophobicContact CD2-CG 4.18Å; L636-L752 HydrophobicContact CG-CD1 3.78Å; L636-L752 HydrophobicContact CG-CD2 3.88Å; L636-L752 HydrophobicContact CG-CG 4.4Å; L639-L752 HydrophobicContact CD1-CB 4.47Å; L639-L752 HydrophobicContact CD1-CD1 3.69Å; F705-L752 VanDerWaalsContact CE1-O 3.32Å; F705-L752 WeakPolarHBondContact CE1-O 3.31Å; F705-L752 HydrophobicContact CZ-CB 4.09Å; A748-L752 WeakPolarHBondContact O-CG 3.25Å; L749-L752 HydrophobicContact CD2-CD1 4.33Å; L749-L752 PolarHBondContact O-N 3.09Å; L752-D756 HydrophobicContact CD2-CB 4.45Å
753S92.3Very high92.2Very high45 Ų4543.9 Ų43.932%0.31525%0.252SS..  trans-119.2165174.774.40000112.3F705 A755 D756 L757F705-S753 VanDerWaalsContact CE1-C 3.46Å; F705-S753 WeakPolarHBondContact CZ-O 3.35Å; S753-A755 PolarHBondContact O-N 2.92Å; S753-A755 PolarHBondContact OG-N 3.25Å; S753-D756 WeakPolarHBondContact CB-OD2 3.29Å; S753-D756 PolarHBondContact N-OD2 3.27Å; S753-D756 WeakPolarHBondContact O-CB 3.44Å; S753-D756 PolarHBondContact O-N 3.27Å; S753-D756 VanDerWaalsContact OG-CG 3.29Å; S753-D756 PolarHBondContact OG-N 2.85Å; S753-D756 PolarHBondContact OG-OD2 2.91Å; S753-L757 PolarHBondContact O-N 3.28Å
754V90.9Very high92.4Very high34 Ų3442.4 Ų42.421%0.20624%0.243CC..Hα-helixtrans-57.8-32.1173.966.20000112.5L700 F705 L757 A758L700-V754 HydrophobicContact CB-CG2 4.5Å; L700-V754 HydrophobicContact CD2-CG2 3.95Å; F705-V754 HydrophobicContact CB-CB 3.96Å; F705-V754 HydrophobicContact CB-CG2 4.11Å; F705-V754 HydrophobicContact CD1-CB 4.21Å; F705-V754 HydrophobicContact CD2-CB 4.15Å; F705-V754 HydrophobicContact CD2-CG2 4.49Å; F705-V754 HydrophobicContact CG-CB 3.81Å; F705-V754 HydrophobicContact CG-CG2 4.33Å; V754-L757 PolarHBondContact O-N 2.61Å; V754-A758 PolarHBondContact O-N 3.06Å
755A91.3Very high92.5Very high63 Ų6341.9 Ų41.952%0.52124%0.24SC..Hα-helixtrans-68.2-36.4176.800000112.1S753 A758 A759S753-A755 PolarHBondContact O-N 2.92Å; S753-A755 PolarHBondContact OG-N 3.25Å; A755-A758 PolarHBondContact O-N 3.02Å; A755-A759 WeakPolarHBondContact O-CB 3.34Å; A755-A759 PolarHBondContact O-N 3.5Å
756D94Very high92.6Very high67 Ų6744.1 Ų44.136%0.35826%0.256SS..Hα-helixtrans-66-41.3176-57.2-55000110.9L636 L752 S753 A759 Y760L636-D756 HydrophobicContact CD1-CB 4.25Å; L636-D756 HydrophobicContact CD2-CB 3.98Å; L752-D756 HydrophobicContact CD2-CB 4.45Å; S753-D756 WeakPolarHBondContact CB-OD2 3.29Å; S753-D756 PolarHBondContact N-OD2 3.27Å; S753-D756 WeakPolarHBondContact O-CB 3.44Å; S753-D756 PolarHBondContact O-N 3.27Å; S753-D756 VanDerWaalsContact OG-CG 3.29Å; S753-D756 PolarHBondContact OG-N 2.85Å; S753-D756 PolarHBondContact OG-OD2 2.91Å; D756-A759 PolarHBondContact O-N 3.07Å; D756-Y760 VanDerWaalsContact O-CB 3.23Å; D756-Y760 WeakPolarHBondContact O-CB 3.47Å; D756-Y760 PolarHBondContact O-N 3.4Å
757L92.2Very high92.7Very high21 Ų2145.7 Ų45.711%0.1127%0.266CS..Hα-helixtrans-63.3-45.4175.7-176.362.9000112.1L636 L639 M640 F705 S753 V754 A759 Y760 K761L636-L757 HydrophobicContact CD2-CB 4.11Å; L636-L757 HydrophobicContact CD2-CD1 4.32Å; L636-L757 WeakPolarHBondContact O-CD1 3.46Å; L639-L757 HydrophobicContact CB-CD1 4.32Å; M640-L757 HydrophobicContact CB-CD1 3.9Å; F705-L757 HydrophobicContact CD2-CB 4.3Å; F705-L757 HydrophobicContact CD2-CD2 3.81Å; F705-L757 HydrophobicContact CE2-CB 3.96Å; F705-L757 HydrophobicContact CE2-CD2 4.05Å; S753-L757 PolarHBondContact O-N 3.28Å; V754-L757 PolarHBondContact O-N 2.61Å; L757-A759 PolarHBondContact O-N 3.32Å; L757-Y760 PolarHBondContact O-N 3.11Å; L757-K761 WeakPolarHBondContact O-CB 3.44Å; L757-K761 PolarHBondContact O-N 3.09Å
758A90.2Very high92.9Very high29 Ų2943.1 Ų43.124%0.2425%0.248CC..Hα-helixtrans-60.3-47177.100000111.9L700 V754 A755 Y760 K761 Q762L700-A758 HydrophobicContact CD2-CB 3.72Å; V754-A758 PolarHBondContact O-N 3.06Å; A755-A758 PolarHBondContact O-N 3.02Å; A758-Y760 VanDerWaalsContact C-N 3.34Å; A758-Y760 PolarHBondContact O-N 2.72Å; A758-K761 PolarHBondContact O-N 2.83Å; A758-Q762 PolarHBondContact O-N 2.5Å
759A92.8Very high92.9Very high58 Ų5843.1 Ų43.148%0.47925%0.247SC..Hα-helixtrans-64-39.6177.400000111.9A755 D756 L757 K763A755-A759 WeakPolarHBondContact O-CB 3.34Å; A755-A759 PolarHBondContact O-N 3.5Å; D756-A759 PolarHBondContact O-N 3.07Å; L757-A759 PolarHBondContact O-N 3.32Å; A759-K763 WeakPolarHBondContact O-CB 3.13Å; A759-K763 PolarHBondContact O-N 2.89Å; A759-K763 VanDerWaalsContact O-N 3.09Å
760Y94.2Very high93Very high7 Ų743.1 Ų43.13%0.02725%0.247CC..Hα-helixtrans-65.2-47.3176.7177.3-95.6000112.5I626 V627 N633 L636 H637 D756 L757 A758 Q762 K763 F764I626-Y760 HydrophobicContact CD1-CE2 4.49Å; I626-Y760 HydrophobicContact CG1-CE2 4.45Å; I626-Y760 HydrophobicContact CG2-CE2 4.47Å; V627-Y760 WeakPolarHBondContact CG2-OH 3.31Å; N633-Y760 HydrophobicContact CB-CD2 4.29Å; N633-Y760 HydrophobicContact CB-CE2 3.7Å; L636-Y760 HydrophobicContact CB-CD1 3.77Å; L636-Y760 HydrophobicContact CB-CD2 4.05Å; L636-Y760 HydrophobicContact CB-CE1 4.29Å; L636-Y760 HydrophobicContact CB-CG 3.65Å; L636-Y760 HydrophobicContact CD1-CD2 4.22Å; L636-Y760 HydrophobicContact CD1-CG 4.11Å; L636-Y760 HydrophobicContact CG-CG 4.45Å; H637-Y760 HydrophobicContact CB-CE1 3.9Å; H637-Y760 WeakPolarHBondContact CB-OH 3.43Å; H637-Y760 AromaticContact ND1-CE1 3.74Å; H637-Y760 AromaticContact ND1-CZ 3.89Å; H637-Y760 PolarHBondContact ND1-OH 3.4Å; H637-Y760 VanDerWaalsContact ND1-OH 3.14Å; D756-Y760 VanDerWaalsContact O-CB 3.23Å; D756-Y760 WeakPolarHBondContact O-CB 3.47Å; D756-Y760 PolarHBondContact O-N 3.4Å; L757-Y760 PolarHBondContact O-N 3.11Å; A758-Y760 VanDerWaalsContact C-N 3.34Å; A758-Y760 PolarHBondContact O-N 2.72Å; Y760-Q762 VanDerWaalsContact C-N 3.3Å; Y760-Q762 PolarHBondContact O-N 2.88Å; Y760-K763 CarbonylContact O-C 3.53Å; Y760-K763 PolarHBondContact O-N 3.34Å; Y760-F764 HydrophobicContact CE1-CB 4.18Å; Y760-F764 WeakPolarHBondContact O-CB 3.47Å; Y760-F764 PolarHBondContact O-N 3.03Å
761K92.3Very high93.3Very high21 Ų2140.3 Ų40.39%0.09124%0.236CC..Hα-helixtrans-53.8-47.5178.3-174176.4-175.8178.90110.9M640 I693 D695 D699 L757 A758 K763 F764 L765M640-K761 HydrophobicContact SD-CB 4.2Å; M640-K761 HydrophobicContact SD-CG 3.99Å; I693-K761 WeakPolarHBondContact O-CE 3.43Å; I693-K761 PolarHBondContact O-NZ 3.07Å; D695-K761 PolarHBondContact O-NZ 3.33Å; D695-K761 VanDerWaalsContact O-NZ 3.09Å; D699-K761 IonicContact OD2-NZ 3.16Å; D699-K761 PolarHBondContact OD2-NZ 2.93Å; L757-K761 WeakPolarHBondContact O-CB 3.44Å; L757-K761 PolarHBondContact O-N 3.09Å; A758-K761 PolarHBondContact O-N 2.83Å; K761-K763 PolarHBondContact O-N 2.72Å; K761-F764 PolarHBondContact O-N 2.78Å; K761-L765 HydrophobicContact CG-CD1 4.26Å; K761-L765 WeakPolarHBondContact O-CG 3.47Å; K761-L765 PolarHBondContact O-N 2.76Å; K761-L765 VanDerWaalsContact O-N 3.1Å
762Q91.4Very high93.6Very high108 Ų10834 Ų3451%0.50520%0.202SC..Hα-helixtrans-61.8-44.5175.7-69-178.8100112.3A758 Y760 L765 S766A758-Q762 PolarHBondContact O-N 2.5Å; Y760-Q762 VanDerWaalsContact C-N 3.3Å; Y760-Q762 PolarHBondContact O-N 2.88Å; Q762-L765 PolarHBondContact O-N 3.08Å; Q762-S766 WeakPolarHBondContact O-CB 3.49Å; Q762-S766 PolarHBondContact O-N 3.46Å
763K93.8Very high93.8Very high121 Ų12133.4 Ų33.453%0.52620%0.199SC..Hα-helixtrans-67.9-39.2-178.5-163.6177.5170.7-163.60112.3I626 A759 Y760 K761 S766I626-K763 HydrophobicContact CD1-CB 4.05Å; I626-K763 HydrophobicContact CD1-CD 3.24Å; I626-K763 HydrophobicContact CD1-CG 3.38Å; A759-K763 WeakPolarHBondContact O-CB 3.13Å; A759-K763 PolarHBondContact O-N 2.89Å; A759-K763 VanDerWaalsContact O-N 3.09Å; Y760-K763 CarbonylContact O-C 3.53Å; Y760-K763 PolarHBondContact O-N 3.34Å; K761-K763 PolarHBondContact O-N 2.72Å; K763-S766 PolarHBondContact O-N 3.43Å; K763-S766 PolarHBondContact O-OG 3.42Å
764F94.5Very high94.1Very high0 Ų031.2 Ų31.20%018%0.184CC..Hα-helixtrans-60.3-51.6174.2169.3-104.6000111.2L622 I626 V627 H637 M640 L671 Y760 K761 S766 L768L622-F764 HydrophobicContact CB-CZ 4.26Å; L622-F764 WeakPolarHBondContact O-CZ 3.3Å; I626-F764 HydrophobicContact CG2-CB 4.48Å; I626-F764 HydrophobicContact CG2-CD2 4.27Å; V627-F764 HydrophobicContact CG2-CD2 4.05Å; V627-F764 HydrophobicContact CG2-CE2 4.04Å; H637-F764 AromaticContact CE1-CE2 3.63Å; H637-F764 AromaticContact CE1-CZ 3.78Å; M640-F764 HydrophobicContact CE-CD1 3.87Å; M640-F764 HydrophobicContact CE-CE1 3.99Å; M640-F764 HydrophobicContact CE-CG 4.46Å; M640-F764 HydrophobicContact SD-CD1 4.42Å; L671-F764 HydrophobicContact CB-CE1 4.2Å; L671-F764 HydrophobicContact CB-CZ 3.91Å; Y760-F764 HydrophobicContact CE1-CB 4.18Å; Y760-F764 WeakPolarHBondContact O-CB 3.47Å; Y760-F764 PolarHBondContact O-N 3.03Å; K761-F764 PolarHBondContact O-N 2.78Å; F764-S766 PolarHBondContact O-N 3.4Å; F764-L768 HydrophobicContact CE1-CD2 4.42Å; F764-L768 HydrophobicContact CE2-CD2 4.26Å; F764-L768 HydrophobicContact CZ-CD2 4.13Å; F764-L768 WeakPolarHBondContact O-CD2 3.02Å
765L93.9Very high94.4Very high26 Ų2629.7 Ų29.714%0.13617%0.174CC..Hα-helixtrans-69.8-17.9-178.9-66.2173.1000113.8L694 K761 Q762 T767 L768 I794L694-L765 HydrophobicContact CD2-CD1 3.72Å; L694-L765 HydrophobicContact CD2-CD2 4.47Å; K761-L765 HydrophobicContact CG-CD1 4.26Å; K761-L765 WeakPolarHBondContact O-CG 3.47Å; K761-L765 PolarHBondContact O-N 2.76Å; K761-L765 VanDerWaalsContact O-N 3.1Å; Q762-L765 PolarHBondContact O-N 3.08Å; L765-T767 PolarHBondContact O-N 3.26Å; L765-L768 HydrophobicContact CD2-CD1 4.34Å; L765-I794 HydrophobicContact CB-CG2 4.33Å; L765-I794 HydrophobicContact CD2-CG2 4.39Å
766S94.3Very high94.7Very high51 Ų5126.7 Ų26.736%0.35715%0.15SC..THydrogen-bonded Turntrans-67.5-29.1-17774.60000114.7Q762 K763 F764 I797Q762-S766 WeakPolarHBondContact O-CB 3.49Å; Q762-S766 PolarHBondContact O-N 3.46Å; K763-S766 PolarHBondContact O-N 3.43Å; K763-S766 PolarHBondContact O-OG 3.42Å; F764-S766 PolarHBondContact O-N 3.4Å; S766-I797 WeakPolarHBondContact O-CB 3.43Å; S766-I797 WeakPolarHBondContact O-CG1 3.34Å; S766-I797 PolarHBondContact O-N 2.7Å
767T94.6Very high94.8Very high36 Ų3623.9 Ų23.922%0.22114%0.135CC..EExtended strand (participates in β ladder)trans-143111.7-176.9-54.60000109.8S624 L765 I797 R799S624-T767 PolarHBondContact OG-O 3.19Å; L765-T767 PolarHBondContact O-N 3.26Å; T767-I797 WeakPolarHBondContact CA-O 3.48Å; T767-I797 HydrophobicContact CG2-CB 4.46Å; T767-R799 HydrophobicContact CG2-CB 4.23Å
768L95.8Very high95Very high0 Ų023.3 Ų23.30%013%0.131CC..EExtended strand (participates in β ladder)trans-133.4148.4-171.3-63.9175.6000112L622 W623 F764 L765 I770 I794 P796 I797 R799L622-L768 HydrophobicContact CB-CD1 4.34Å; L622-L768 HydrophobicContact CB-CD2 4.26Å; L622-L768 HydrophobicContact CD2-CD1 4.46Å; W623-L768 WeakPolarHBondContact O-CA 3.42Å; F764-L768 HydrophobicContact CE1-CD2 4.42Å; F764-L768 HydrophobicContact CE2-CD2 4.26Å; F764-L768 HydrophobicContact CZ-CD2 4.13Å; F764-L768 WeakPolarHBondContact O-CD2 3.02Å; L765-L768 HydrophobicContact CD2-CD1 4.34Å; L768-I770 HydrophobicContact CB-CG1 4.27Å; L768-I794 HydrophobicContact CD1-CD1 4.22Å; L768-I794 HydrophobicContact CD1-CG2 3.91Å; L768-P796 HydrophobicContact CB-CB 3.98Å; L768-P796 HydrophobicContact CB-CG 4.34Å; L768-P796 HydrophobicContact CD1-CB 4.08Å; L768-P796 HydrophobicContact CD1-CG 4.43Å; L768-P796 HydrophobicContact CG-CB 4.09Å; L768-I797 PolarHBondContact N-O 3.38Å; L768-R799 WeakPolarHBondContact O-CB 3.26Å; L768-R799 PolarHBondContact O-N 3.49Å
769H94.8Very high95.3Very high5 Ų524.1 Ų24.12%0.02313%0.133CC..EExtended strand (participates in β ladder)trans-105.2129.3154.6-178.286000107.5Y600 H602 W623 R799 S800Y600-H769 WeakPolarHBondContact O-CA 3.25Å; H602-H769 AromaticContact CD2-CE1 3.74Å; H602-H769 AromaticContact CD2-NE2 3.67Å; W623-H769 HydrophobicContact CB-CB 4.28Å; W623-H769 HydrophobicContact CE3-CB 3.91Å; W623-H769 PolarHBondContact N-O 2.99Å; W623-H769 PolarHBondContact O-N 3.46Å; H769-R799 HydrophobicContact CB-CB 4.38Å; H769-R799 WeakPolarHBondContact CB-O 3.31Å; H769-R799 PolarHBondContact ND1-O 3.45Å; H769-S800 PolarHBondContact CE1-O 3.32Å
770I95.8Very high95.5Very high0 Ų026.1 Ų26.10%013%0.129CC..EExtended strand (participates in β ladder)trans-112.9119.7-174.5-61.6166.2000109Y600 G601 H602 H621 L622 L768 I772 F787 T790 V791 P796Y600-I770 PolarHBondContact O-N 3.28Å; G601-I770 CarbonylContact C-O 3.51Å; G601-I770 VanDerWaalsContact CA-O 3.25Å; G601-I770 WeakPolarHBondContact CA-O 3.49Å; H602-I770 PolarHBondContact N-O 2.86Å; H621-I770 WeakPolarHBondContact O-CA 3.28Å; L622-I770 HydrophobicContact CD2-CD1 4.47Å; L622-I770 HydrophobicContact CD2-CG1 3.87Å; L622-I770 HydrophobicContact CD2-CG2 4.27Å; L768-I770 HydrophobicContact CB-CG1 4.27Å; I770-I772 HydrophobicContact CG2-CD1 4.18Å; I770-I772 HydrophobicContact CG2-CG1 3.94Å; I770-F787 HydrophobicContact CB-CE2 4.41Å; I770-F787 HydrophobicContact CG2-CD2 4.39Å; I770-F787 HydrophobicContact CG2-CE2 4.03Å; I770-T790 HydrophobicContact CD1-CG2 4.11Å; I770-T790 HydrophobicContact CG2-CG2 4.38Å; I770-V791 HydrophobicContact CD1-CG2 3.93Å; I770-P796 HydrophobicContact CD1-CG 4.17Å
771T95.6Very high95.6Very high9 Ų931.3 Ų31.36%0.05515%0.153CC..EExtended strand (participates in β ladder)trans-115.1123170.8-56.50000108.9H602 I620 H621 W956 I959H602-T771 HydrophobicContact CB-CG2 4.43Å; H602-T771 WeakPolarHBondContact O-CA 3.44Å; I620-T771 CarbonylContact C-O 3.56Å; H621-T771 PolarHBondContact N-O 3.39Å; H621-T771 PolarHBondContact O-N 2.7Å; T771-W956 HydrophobicContact CG2-CH2 4.02Å; T771-W956 HydrophobicContact CG2-CZ3 4.05Å; T771-I959 HydrophobicContact CG2-CG2 3.91Å
772I97.6Very high95.7Very high0 Ų033.5 Ų33.50%017%0.166CC..EExtended strand (participates in β ladder)trans-119141.4175.1-61.7-175.3000109.4H602 L603 W604 V618 M619 I620 I770 F787H602-I772 PolarHBondContact O-N 3.04Å; L603-I772 HydrophobicContact CD1-CB 3.77Å; L603-I772 HydrophobicContact CD1-CG2 3.71Å; W604-I772 PolarHBondContact N-O 3.46Å; V618-I772 HydrophobicContact CG1-CG2 3.81Å; M619-I772 CarbonylContact O-C 3.54Å; M619-I772 WeakPolarHBondContact O-CA 3.43Å; I620-I772 HydrophobicContact CB-CG1 4.23Å; I620-I772 HydrophobicContact CG1-CD1 3.98Å; I620-I772 HydrophobicContact CG1-CG1 3.9Å; I620-I772 HydrophobicContact CG1-CG2 4.28Å; I620-I772 HydrophobicContact CG2-CD1 4.22Å; I620-I772 HydrophobicContact CG2-CG1 3.95Å; I770-I772 HydrophobicContact CG2-CD1 4.18Å; I770-I772 HydrophobicContact CG2-CG1 3.94Å; I772-F787 HydrophobicContact CB-CD2 4.38Å; I772-F787 HydrophobicContact CD1-CB 4.06Å; I772-F787 HydrophobicContact CD1-CD2 3.85Å; I772-F787 HydrophobicContact CD1-CG 4.33Å; I772-F787 HydrophobicContact CG1-CD2 4.13Å
773Y97.9Very high96Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-127.8117.1167.6176.7-144.7000109.9P585 W604 Q606 V618 M619 F952 N955 W956 I959P585-Y773 HydrophobicContact CB-CE2 3.98Å; P585-Y773 HydrophobicContact CG-CE2 3.91Å; W604-Y773 HydrophobicContact CB-CD2 3.67Å; W604-Y773 HydrophobicContact CB-CG 4.19Å; W604-Y773 WeakPolarHBondContact O-CA 3.38Å; Q606-Y773 HydrophobicContact CB-CE2 4.04Å; Q606-Y773 PolarHBondContact OE1-OH 3.1Å; V618-Y773 CarbonylContact C-O 3.57Å; V618-Y773 VanDerWaalsContact CA-O 3.29Å; V618-Y773 WeakPolarHBondContact CA-O 3.26Å; M619-Y773 PolarHBondContact N-O 2.94Å; M619-Y773 PolarHBondContact O-N 2.96Å; Y773-F952 AromaticContact CD1-CD2 3.6Å; Y773-F952 HydrophobicContact CD1-CD2 3.6Å; Y773-F952 AromaticContact CD1-CE2 3.36Å; Y773-F952 HydrophobicContact CD1-CE2 3.36Å; Y773-F952 HydrophobicContact CD1-CZ 4.31Å; Y773-F952 AromaticContact CE1-CD2 3.29Å; Y773-F952 HydrophobicContact CE1-CD2 3.29Å; Y773-F952 AromaticContact CE1-CE2 3.61Å; Y773-F952 HydrophobicContact CE1-CE2 3.61Å; Y773-F952 HydrophobicContact CE1-CG 4.29Å; Y773-F952 WeakPolarHBondContact CE1-O 3.37Å; Y773-F952 HydrophobicContact CG-CE2 4.06Å; Y773-N955 HydrophobicContact CE1-CB 3.77Å; Y773-N955 WeakPolarHBondContact OH-CB 3.45Å; Y773-N955 PolarHBondContact OH-ND2 3.25Å; Y773-N955 VanDerWaalsContact OH-ND2 3.13Å; Y773-W956 HydrophobicContact CD1-CB 4.24Å; Y773-W956 HydrophobicContact CD1-CE3 4.11Å; Y773-W956 HydrophobicContact CG-CE3 4.32Å; Y773-I959 HydrophobicContact CD1-CD1 3.81Å; Y773-I959 HydrophobicContact CD2-CD1 3.84Å; Y773-I959 HydrophobicContact CE1-CD1 4.22Å; Y773-I959 HydrophobicContact CE2-CD1 4.27Å; Y773-I959 HydrophobicContact CG-CD1 3.6Å
774A98.3Very high96.2Very high0 Ų023.5 Ų23.50%012%0.121CC..EExtended strand (participates in β ladder)trans-110.2126.9177.400000110.8W604 F605 Q606 V618 I778 A783W604-A774 PolarHBondContact O-N 3.36Å; F605-A774 WeakPolarHBondContact CA-O 3.16Å; F605-A774 HydrophobicContact CD2-CB 4.48Å; Q606-A774 PolarHBondContact N-O 3.33Å; V618-A774 HydrophobicContact CG1-CB 4.38Å; V618-A774 HydrophobicContact CG2-CB 4.21Å; A774-I778 HydrophobicContact CB-CD1 4.28Å; A774-A783 HydrophobicContact CB-CB 3.7Å
775Y97.7Very high96.3Very high1 Ų125.4 Ų25.40%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-141.1146.7-172.2169.5-109.1000113.1Q606 F611 A616 S617 M948 E951 F952Q606-Y775 HydrophobicContact CB-CD2 3.94Å; Q606-Y775 HydrophobicContact CG-CD2 3.95Å; Q606-Y775 HydrophobicContact CG-CE2 4.26Å; Q606-Y775 VanDerWaalsContact O-CA 3.3Å; Q606-Y775 WeakPolarHBondContact O-CA 3.5Å; Q606-Y775 WeakPolarHBondContact O-CD2 3.4Å; F611-Y775 WeakPolarHBondContact CE2-OH 3.04Å; A616-Y775 CarbonylContact C-O 3.58Å; A616-Y775 WeakPolarHBondContact CA-O 3.41Å; S617-Y775 PolarHBondContact N-O 3.19Å; S617-Y775 PolarHBondContact O-N 3.33Å; Y775-M948 HydrophobicContact CD1-CE 3.41Å; Y775-M948 VanDerWaalsContact CD1-CE 3.41Å; Y775-M948 HydrophobicContact CD1-CG 3.98Å; Y775-M948 HydrophobicContact CE1-CB 4.36Å; Y775-M948 HydrophobicContact CE1-CE 3.64Å; Y775-M948 HydrophobicContact CE1-CG 3.24Å; Y775-M948 WeakPolarHBondContact CE1-O 3.35Å; Y775-M948 HydrophobicContact CE1-SD 4.28Å; Y775-M948 HydrophobicContact CG-CE 4.34Å; Y775-M948 WeakPolarHBondContact O-CE 3.43Å; Y775-E951 PolarHBondContact OH-OE2 2.95Å; Y775-F952 HydrophobicContact CD1-CB 3.66Å; Y775-F952 AromaticContact CD1-CD2 3.72Å; Y775-F952 HydrophobicContact CD1-CD2 3.72Å; Y775-F952 HydrophobicContact CD1-CG 4.04Å; Y775-F952 HydrophobicContact CE1-CB 3.94Å; Y775-F952 AromaticContact CG-CD2 3.97Å; Y775-F952 HydrophobicContact CG-CD2 3.97Å
776G96.6Very high96.5Very high1 Ų124.3 Ų24.31%0.0113%0.129CC..EExtended strand (participates in β ladder)trans106.7-142.4173.300000114.4Q606 S608 I778Q606-G776 PolarHBondContact O-N 3.42Å; S608-G776 PolarHBondContact N-O 3.2Å; S608-G776 VanDerWaalsContact N-O 3.09Å; S608-G776 CarbonylContact O-C 3.4Å; S608-G776 WeakPolarHBondContact O-CA 3.49Å; G776-I778 PolarHBondContact O-N 2.96Å
777N96.5Very high96.7Very high8 Ų821.9 Ų21.94%0.04311%0.112CC..SBendtrans-7759.7178.5-168.647.1000111.8S574 L575 L576 K615 S679S574-N777 PolarHBondContact O-ND2 3.17Å; L575-N777 WeakPolarHBondContact CA-OD1 3.21Å; L576-N777 WeakPolarHBondContact CG-OD1 3.3Å; L576-N777 PolarHBondContact N-OD1 2.86Å; K615-N777 VanDerWaalsContact O-CB 3.29Å; K615-N777 WeakPolarHBondContact O-CB 3.49Å; K615-N777 PolarHBondContact O-N 2.9Å; S679-N777 WeakPolarHBondContact CB-O 3.46Å; S679-N777 PolarHBondContact OG-ND2 2.8Å
778I96.2Very high96.8Very high8 Ų822.5 Ų22.54%0.04111%0.114CC..  trans-135.4137-175.4-173.6164.8000110.2F605 A616 V618 A774 G776 D782 F786F605-I778 HydrophobicContact CE2-CG2 4.29Å; A616-I778 HydrophobicContact CB-CB 3.83Å; A616-I778 HydrophobicContact CB-CG2 4.25Å; V618-I778 HydrophobicContact CG2-CD1 4.12Å; A774-I778 HydrophobicContact CB-CD1 4.28Å; G776-I778 PolarHBondContact O-N 2.96Å; I778-D782 HydrophobicContact CD1-CB 3.94Å; I778-D782 HydrophobicContact CG1-CB 3.53Å; I778-F786 HydrophobicContact CD1-CD2 4.08Å; I778-F786 HydrophobicContact CD1-CE2 3.59Å
779T96.5Very high96.9Very high46 Ų4624.2 Ų24.228%0.28212%0.121SC..  trans-80.3160.2179.775.80000111.2L576 Q781 D782 A783L576-T779 HydrophobicContact CD1-CG2 3.93Å; L576-T779 HydrophobicContact CD2-CG2 3.84Å; T779-Q781 PolarHBondContact O-N 3.02Å; T779-Q781 PolarHBondContact OG1-N 3.26Å; T779-D782 VanDerWaalsContact CB-OD2 3.31Å; T779-D782 WeakPolarHBondContact CB-OD2 3.44Å; T779-D782 WeakPolarHBondContact CG2-OD2 3.02Å; T779-D782 PolarHBondContact N-OD2 3.21Å; T779-D782 PolarHBondContact O-N 3.18Å; T779-D782 PolarHBondContact OG1-N 3.46Å; T779-D782 PolarHBondContact OG1-OD2 3.34Å; T779-A783 PolarHBondContact O-N 3.38Å; T779-A783 VanDerWaalsContact O-N 3.13Å
780R96.6Very high97Very high100 Ų10024 Ų2438%0.37712%0.119SC..Hα-helixtrans-56-37172.2-178.2179.2171.6106.96.9112.7L588 E591 F605 I784L588-R780 HydrophobicContact CD1-CG 4.06Å; L588-R780 VanDerWaalsContact CD2-CZ 3.49Å; E591-R780 IonicContact OE1-CZ 2.6Å; E591-R780 IonicContact OE1-NH1 3.62Å; E591-R780 PolarHBondContact OE1-NH1 3.28Å; E591-R780 IonicContact OE1-NH2 3.81Å; E591-R780 PolarHBondContact OE1-NH2 3.45Å; E591-R780 IonicContact OE2-CZ 2.73Å; E591-R780 IonicContact OE2-NH1 3.47Å; E591-R780 IonicContact OE2-NH2 3.99Å; E591-R780 PolarHBondContact OE2-NH2 3.2Å; F605-R780 HydrophobicContact CD1-CB 4.5Å; F605-R780 HydrophobicContact CE1-CB 3.87Å; F605-R780 HydrophobicContact CE1-CG 4.32Å; F605-R780 HydrophobicContact CE2-CB 4.47Å; F605-R780 HydrophobicContact CZ-CB 3.85Å; R780-I784 HydrophobicContact CG-CD1 4.48Å; R780-I784 WeakPolarHBondContact O-CG1 3.49Å; R780-I784 PolarHBondContact O-N 3.22Å
781Q96.4Very high97Very high116 Ų11624.8 Ų24.854%0.54212%0.124SC..Hα-helixtrans-70.9-39-179.9-176.155.560.200111.3T779 A783 I784 S785T779-Q781 PolarHBondContact O-N 3.02Å; T779-Q781 PolarHBondContact OG1-N 3.26Å; Q781-A783 VanDerWaalsContact C-N 3.34Å; Q781-A783 PolarHBondContact O-N 3.28Å; Q781-I784 PolarHBondContact O-N 2.77Å; Q781-S785 PolarHBondContact O-N 3.21Å; Q781-S785 PolarHBondContact O-OG 3.39Å
782D95.7Very high97Very high67 Ų6730.7 Ų30.736%0.35815%0.151SC..Hα-helixtrans-61.1-45.1175.7-57.4-40.6000110.6I778 T779 I784 S785 F786I778-D782 HydrophobicContact CD1-CB 3.94Å; I778-D782 HydrophobicContact CG1-CB 3.53Å; T779-D782 VanDerWaalsContact CB-OD2 3.31Å; T779-D782 WeakPolarHBondContact CB-OD2 3.44Å; T779-D782 WeakPolarHBondContact CG2-OD2 3.02Å; T779-D782 PolarHBondContact N-OD2 3.21Å; T779-D782 PolarHBondContact O-N 3.18Å; T779-D782 PolarHBondContact OG1-N 3.46Å; T779-D782 PolarHBondContact OG1-OD2 3.34Å; D782-I784 VanDerWaalsContact C-N 3.31Å; D782-I784 PolarHBondContact O-N 2.83Å; D782-S785 WeakPolarHBondContact O-CA 3.44Å; D782-S785 WeakPolarHBondContact O-CB 3.47Å; D782-S785 PolarHBondContact O-N 3.47Å; D782-F786 WeakPolarHBondContact O-CD2 3.23Å; D782-F786 PolarHBondContact O-N 2.9Å
783A97.4Very high96.9Very high0 Ų035 Ų350%017%0.17CC..Hα-helixtrans-57.3-42.2176.500000112.7F605 A774 T779 Q781 S785 F786 F787F605-A783 HydrophobicContact CD2-CB 3.58Å; F605-A783 HydrophobicContact CE2-CB 4.16Å; F605-A783 HydrophobicContact CG-CB 4.35Å; A774-A783 HydrophobicContact CB-CB 3.7Å; T779-A783 PolarHBondContact O-N 3.38Å; T779-A783 VanDerWaalsContact O-N 3.13Å; Q781-A783 VanDerWaalsContact C-N 3.34Å; Q781-A783 PolarHBondContact O-N 3.28Å; A783-S785 VanDerWaalsContact C-N 3.35Å; A783-F786 PolarHBondContact O-N 3.36Å; A783-F787 PolarHBondContact O-N 2.84Å
784I97.7Very high96.8Very high19 Ų1936.1 Ų36.110%0.09718%0.176CC..Hα-helixtrans-63.3-42.6173.6-67.6167.8000110.5L588 L603 R780 Q781 D782 F786 F787 D788L588-I784 HydrophobicContact CD1-CG1 4.06Å; L603-I784 HydrophobicContact CD2-CG1 4.09Å; R780-I784 HydrophobicContact CG-CD1 4.48Å; R780-I784 WeakPolarHBondContact O-CG1 3.49Å; R780-I784 PolarHBondContact O-N 3.22Å; Q781-I784 PolarHBondContact O-N 2.77Å; D782-I784 VanDerWaalsContact C-N 3.31Å; D782-I784 PolarHBondContact O-N 2.83Å; I784-F786 VanDerWaalsContact C-N 3.32Å; I784-F786 PolarHBondContact O-N 3.24Å; I784-F787 PolarHBondContact O-N 2.86Å; I784-F787 VanDerWaalsContact O-N 3.12Å; I784-D788 VanDerWaalsContact CG2-OD2 3.24Å; I784-D788 WeakPolarHBondContact CG2-OD2 3.38Å; I784-D788 WeakPolarHBondContact O-CB 3.37Å; I784-D788 PolarHBondContact O-N 3.37Å
785S97.4Very high96.6Very high41 Ų4143.6 Ų43.629%0.28721%0.211SC..Hα-helixtrans-60.5-37.5177.8-66.70000112.9F683 Q781 D782 A783 Y789F683-S785 WeakPolarHBondContact CE2-O 3.29Å; Q781-S785 PolarHBondContact O-N 3.21Å; Q781-S785 PolarHBondContact O-OG 3.39Å; D782-S785 WeakPolarHBondContact O-CA 3.44Å; D782-S785 WeakPolarHBondContact O-CB 3.47Å; D782-S785 PolarHBondContact O-N 3.47Å; A783-S785 VanDerWaalsContact C-N 3.35Å; S785-Y789 WeakPolarHBondContact O-CB 3.48Å; S785-Y789 PolarHBondContact O-N 3.17Å
786F97.7Very high96.5Very high2 Ų243.9 Ų43.91%0.00921%0.213CC..Hα-helixtrans-58.4-47.7172.1-80.4-83.8000111.8V618 I675 L682 F683 Y686 I778 D782 A783 I784 T790V618-F786 HydrophobicContact CG1-CD1 4.27Å; V618-F786 HydrophobicContact CG1-CG 4.34Å; V618-F786 HydrophobicContact CG2-CD2 4.39Å; V618-F786 HydrophobicContact CG2-CE1 4.32Å; V618-F786 HydrophobicContact CG2-CE2 4.1Å; V618-F786 HydrophobicContact CG2-CZ 4.04Å; I675-F786 HydrophobicContact CD1-CD1 4.47Å; I675-F786 HydrophobicContact CD1-CE1 3.6Å; I675-F786 HydrophobicContact CD1-CZ 4.19Å; L682-F786 HydrophobicContact CG-CZ 4.3Å; F683-F786 HydrophobicContact CB-CE1 4.45Å; F683-F786 HydrophobicContact CB-CE2 4.22Å; F683-F786 HydrophobicContact CB-CZ 3.86Å; F683-F786 HydrophobicContact CD2-CD1 4Å; F683-F786 HydrophobicContact CD2-CD2 4.01Å; F683-F786 AromaticContact CD2-CE1 3.93Å; F683-F786 HydrophobicContact CD2-CE1 3.93Å; F683-F786 AromaticContact CD2-CE2 3.9Å; F683-F786 HydrophobicContact CD2-CE2 3.9Å; F683-F786 HydrophobicContact CD2-CG 4.04Å; F683-F786 AromaticContact CD2-CZ 3.87Å; F683-F786 HydrophobicContact CD2-CZ 3.87Å; F683-F786 HydrophobicContact CE2-CD1 4.48Å; F683-F786 HydrophobicContact CE2-CG 4.41Å; F683-F786 HydrophobicContact CG-CZ 4.37Å; Y686-F786 VanDerWaalsContact CB-CE1 3.5Å; Y686-F786 AromaticContact CD1-CD1 3.44Å; Y686-F786 HydrophobicContact CD1-CD1 3.44Å; Y686-F786 VanDerWaalsContact CD1-CD1 3.44Å; Y686-F786 AromaticContact CD1-CE1 3.78Å; Y686-F786 HydrophobicContact CD1-CE1 3.78Å; Y686-F786 HydrophobicContact CD2-CD1 4.47Å; Y686-F786 AromaticContact CE1-CD1 3.99Å; Y686-F786 HydrophobicContact CE1-CD1 3.99Å; Y686-F786 AromaticContact CG-CD1 3.72Å; Y686-F786 HydrophobicContact CG-CD1 3.72Å; Y686-F786 AromaticContact CG-CE1 3.67Å; Y686-F786 HydrophobicContact CG-CE1 3.67Å; I778-F786 HydrophobicContact CD1-CD2 4.08Å; I778-F786 HydrophobicContact CD1-CE2 3.59Å; D782-F786 WeakPolarHBondContact O-CD2 3.23Å; D782-F786 PolarHBondContact O-N 2.9Å; A783-F786 PolarHBondContact O-N 3.36Å; I784-F786 VanDerWaalsContact C-N 3.32Å; I784-F786 PolarHBondContact O-N 3.24Å; F786-T790 WeakPolarHBondContact O-CB 3.46Å; F786-T790 PolarHBondContact O-N 2.96Å; F786-T790 VanDerWaalsContact O-N 3.09Å; F786-T790 PolarHBondContact O-OG1 2.92Å
787F97.6Very high96.5Very high1 Ų149 Ų490%0.00424%0.239CC..Hα-helixtrans-66.6-49.2-179.2-167.1-83.4000112.2N589 R597 L603 I770 I772 A783 I784 Y789 T790 V791N589-F787 WeakPolarHBondContact ND2-CE2 3.34Å; N589-F787 WeakPolarHBondContact ND2-CZ 3.39Å; R597-F787 HydrophobicContact CB-CD1 4.22Å; R597-F787 HydrophobicContact CB-CE1 3.7Å; R597-F787 HydrophobicContact CB-CZ 4.41Å; R597-F787 HydrophobicContact CG-CD1 4.03Å; R597-F787 HydrophobicContact CG-CE1 3.96Å; L603-F787 HydrophobicContact CB-CD2 3.85Å; L603-F787 HydrophobicContact CB-CE2 4.3Å; L603-F787 HydrophobicContact CB-CG 4.38Å; L603-F787 HydrophobicContact CD1-CB 4.19Å; L603-F787 HydrophobicContact CD1-CD2 4.3Å; L603-F787 HydrophobicContact CD2-CB 3.85Å; L603-F787 HydrophobicContact CD2-CG 4.29Å; L603-F787 HydrophobicContact CG-CB 4.45Å; L603-F787 HydrophobicContact CG-CD2 4.44Å; I770-F787 HydrophobicContact CB-CE2 4.41Å; I770-F787 HydrophobicContact CG2-CD2 4.39Å; I770-F787 HydrophobicContact CG2-CE2 4.03Å; I772-F787 HydrophobicContact CB-CD2 4.38Å; I772-F787 HydrophobicContact CD1-CB 4.06Å; I772-F787 HydrophobicContact CD1-CD2 3.85Å; I772-F787 HydrophobicContact CD1-CG 4.33Å; I772-F787 HydrophobicContact CG1-CD2 4.13Å; A783-F787 PolarHBondContact O-N 2.84Å; I784-F787 PolarHBondContact O-N 2.86Å; I784-F787 VanDerWaalsContact O-N 3.12Å; F787-Y789 PolarHBondContact O-N 2.93Å; F787-T790 WeakPolarHBondContact O-CB 3.41Å; F787-T790 PolarHBondContact O-N 2.79Å; F787-V791 HydrophobicContact CD1-CG2 4.01Å; F787-V791 HydrophobicContact CE1-CG2 3.72Å; F787-V791 HydrophobicContact CZ-CG2 4.36Å; F787-V791 WeakPolarHBondContact O-CG2 3.31Å; F787-V791 PolarHBondContact O-N 3.02Å
788D96.9Very high96.3Very high48 Ų4851 Ų5126%0.25725%0.252SS..Hα-helixtrans-63.1-44-178.9-71.4-14000110.5R597 I784 T790 V791 E792R597-D788 WeakPolarHBondContact CD-OD1 3.11Å; I784-D788 VanDerWaalsContact CG2-OD2 3.24Å; I784-D788 WeakPolarHBondContact CG2-OD2 3.38Å; I784-D788 WeakPolarHBondContact O-CB 3.37Å; I784-D788 PolarHBondContact O-N 3.37Å; D788-T790 VanDerWaalsContact C-N 3.32Å; D788-T790 PolarHBondContact O-N 2.87Å; D788-V791 PolarHBondContact O-N 3.04Å; D788-E792 VanDerWaalsContact O-CB 3.3Å; D788-E792 WeakPolarHBondContact O-CB 3.28Å; D788-E792 VanDerWaalsContact O-CG 3.26Å; D788-E792 WeakPolarHBondContact O-CG 3.13Å; D788-E792 PolarHBondContact O-N 2.69Å
789Y97.3Very high95.7Very high36 Ų3653.6 Ų53.614%0.14126%0.262CS..Hα-helixtrans-58.6-43.2175.1-172.5-97.1000112.3F683 Y686 L690 D691 S785 F787 K793F683-Y789 HydrophobicContact CE2-CG 4.46Å; F683-Y789 HydrophobicContact CZ-CD2 4.02Å; F683-Y789 AromaticContact CZ-CG 3.97Å; F683-Y789 HydrophobicContact CZ-CG 3.97Å; Y686-Y789 HydrophobicContact CD1-CD1 4.27Å; Y686-Y789 AromaticContact CE1-CD1 3.95Å; Y686-Y789 HydrophobicContact CE1-CD1 3.95Å; L690-Y789 HydrophobicContact CB-CE1 4.23Å; L690-Y789 HydrophobicContact CD2-CD1 3.69Å; L690-Y789 HydrophobicContact CD2-CE1 3.72Å; L690-Y789 HydrophobicContact CG-CE1 4.42Å; D691-Y789 PolarHBondContact OD1-OH 3.04Å; D691-Y789 PolarHBondContact OD2-OH 3.08Å; D691-Y789 VanDerWaalsContact OD2-OH 3.11Å; S785-Y789 WeakPolarHBondContact O-CB 3.48Å; S785-Y789 PolarHBondContact O-N 3.17Å; F787-Y789 PolarHBondContact O-N 2.93Å; Y789-K793 HydrophobicContact CD1-CG 4.13Å; Y789-K793 HydrophobicContact CD2-CG 4.26Å; Y789-K793 HydrophobicContact CE1-CG 3.81Å; Y789-K793 HydrophobicContact CE2-CD 4.37Å; Y789-K793 VanDerWaalsContact CE2-CE 3.5Å; Y789-K793 HydrophobicContact CE2-CG 3.96Å; Y789-K793 HydrophobicContact CG-CG 4.34Å; Y789-K793 VanDerWaalsContact CZ-CE 3.48Å; Y789-K793 VanDerWaalsContact O-CB 3.25Å; Y789-K793 WeakPolarHBondContact O-CB 3.45Å; Y789-K793 VanDerWaalsContact O-CG 3.29Å; Y789-K793 WeakPolarHBondContact O-CG 3.34Å; Y789-K793 PolarHBondContact O-N 3.18Å; Y789-K793 WeakPolarHBondContact OH-CE 3.24Å; Y789-K793 PolarHBondContact OH-NZ 2.87Å
790T97.3Very high94.4Very high0 Ų055.2 Ų55.20%028%0.275CS..Hα-helixtrans-58.7-49.8177-53.30000111.1L622 Y686 I770 F786 F787 D788 I794L622-T790 HydrophobicContact CD2-CG2 4.03Å; Y686-T790 PolarHBondContact OH-OG1 2.75Å; I770-T790 HydrophobicContact CD1-CG2 4.11Å; I770-T790 HydrophobicContact CG2-CG2 4.38Å; F786-T790 WeakPolarHBondContact O-CB 3.46Å; F786-T790 PolarHBondContact O-N 2.96Å; F786-T790 VanDerWaalsContact O-N 3.09Å; F786-T790 PolarHBondContact O-OG1 2.92Å; F787-T790 WeakPolarHBondContact O-CB 3.41Å; F787-T790 PolarHBondContact O-N 2.79Å; D788-T790 VanDerWaalsContact C-N 3.32Å; D788-T790 PolarHBondContact O-N 2.87Å; T790-I794 HydrophobicContact CG2-CD1 3.77Å; T790-I794 WeakPolarHBondContact O-CB 3.41Å; T790-I794 VanDerWaalsContact O-CG1 3.25Å; T790-I794 WeakPolarHBondContact O-CG1 3.46Å; T790-I794 PolarHBondContact O-N 3.42Å; T790-I794 VanDerWaalsContact O-N 3.11Å
791V96.7Very high93.5Very high17 Ų1755.2 Ų55.210%0.10329%0.286CS..Hα-helixtrans-68.7-43.2-177.21730000111.3Y600 I770 F787 D788 Q795Y600-V791 HydrophobicContact CD1-CG1 4.1Å; Y600-V791 HydrophobicContact CD1-CG2 4.35Å; Y600-V791 HydrophobicContact CD2-CG1 3.92Å; Y600-V791 HydrophobicContact CD2-CG2 4.21Å; Y600-V791 HydrophobicContact CE1-CG1 3.79Å; Y600-V791 HydrophobicContact CE2-CG1 3.58Å; Y600-V791 HydrophobicContact CG-CG1 4.17Å; Y600-V791 HydrophobicContact CG-CG2 4.03Å; I770-V791 HydrophobicContact CD1-CG2 3.93Å; F787-V791 HydrophobicContact CD1-CG2 4.01Å; F787-V791 HydrophobicContact CE1-CG2 3.72Å; F787-V791 HydrophobicContact CZ-CG2 4.36Å; F787-V791 WeakPolarHBondContact O-CG2 3.31Å; F787-V791 PolarHBondContact O-N 3.02Å; D788-V791 PolarHBondContact O-N 3.04Å; V791-Q795 WeakPolarHBondContact O-CA 3.42Å; V791-Q795 PolarHBondContact O-N 3.34Å
792E95.9Very high92.7Very high133 Ų13351.7 Ų51.762%0.62127%0.268SS*.Hα-helixtrans-66.4-38.3-178.7-74.5-179.5175.400112.8D788 Q795D788-E792 VanDerWaalsContact O-CB 3.3Å; D788-E792 WeakPolarHBondContact O-CB 3.28Å; D788-E792 VanDerWaalsContact O-CG 3.26Å; D788-E792 WeakPolarHBondContact O-CG 3.13Å; D788-E792 PolarHBondContact O-N 2.69Å; E792-Q795 WeakPolarHBondContact O-CG 3.18Å; E792-Q795 PolarHBondContact O-NE2 3.07Å
793K95.4Very high91.8Very high91 Ų9152.7 Ų52.740%0.39627%0.269SS..Hα-helixtrans-76-41.8179.5-73.9-73.3-176.7130.30112.9L690 D691 L694 Y789L690-K793 HydrophobicContact CD2-CB 4Å; L690-K793 HydrophobicContact CD2-CG 4.42Å; D691-K793 IonicContact OD1-NZ 2.91Å; D691-K793 PolarHBondContact OD1-NZ 3.3Å; D691-K793 IonicContact OD2-NZ 2.67Å; D691-K793 PolarHBondContact OD2-NZ 3.45Å; L694-K793 HydrophobicContact CD1-CB 3.75Å; Y789-K793 HydrophobicContact CD1-CG 4.13Å; Y789-K793 HydrophobicContact CD2-CG 4.26Å; Y789-K793 HydrophobicContact CE1-CG 3.81Å; Y789-K793 HydrophobicContact CE2-CD 4.37Å; Y789-K793 VanDerWaalsContact CE2-CE 3.5Å; Y789-K793 HydrophobicContact CE2-CG 3.96Å; Y789-K793 HydrophobicContact CG-CG 4.34Å; Y789-K793 VanDerWaalsContact CZ-CE 3.48Å; Y789-K793 VanDerWaalsContact O-CB 3.25Å; Y789-K793 WeakPolarHBondContact O-CB 3.45Å; Y789-K793 VanDerWaalsContact O-CG 3.29Å; Y789-K793 WeakPolarHBondContact O-CG 3.34Å; Y789-K793 PolarHBondContact O-N 3.18Å; Y789-K793 WeakPolarHBondContact OH-CE 3.24Å; Y789-K793 PolarHBondContact OH-NZ 2.87Å
794I95.6Very high90.7Very high23 Ų2355.8 Ų55.812%0.11829%0.285CS..Hα-helixtrans-82-39.6-177.5-58.6176.6000111.8L622 L690 L694 L765 L768 T790 P796L622-I794 HydrophobicContact CD1-CD1 3.95Å; L622-I794 HydrophobicContact CD2-CD1 4.25Å; L690-I794 HydrophobicContact CD1-CD1 4.2Å; L690-I794 HydrophobicContact CD1-CG1 4.34Å; L694-I794 HydrophobicContact CD1-CG1 4.06Å; L694-I794 HydrophobicContact CD2-CG1 4.04Å; L765-I794 HydrophobicContact CB-CG2 4.33Å; L765-I794 HydrophobicContact CD2-CG2 4.39Å; L768-I794 HydrophobicContact CD1-CD1 4.22Å; L768-I794 HydrophobicContact CD1-CG2 3.91Å; T790-I794 HydrophobicContact CG2-CD1 3.77Å; T790-I794 WeakPolarHBondContact O-CB 3.41Å; T790-I794 VanDerWaalsContact O-CG1 3.25Å; T790-I794 WeakPolarHBondContact O-CG1 3.46Å; T790-I794 PolarHBondContact O-N 3.42Å; T790-I794 VanDerWaalsContact O-N 3.11Å; I794-P796 HydrophobicContact CG2-CB 4.11Å; I794-P796 HydrophobicContact CG2-CG 4.22Å
795Q94.6Very high89.6Confident157 Ų15756 Ų5673%0.73429%0.286SS*.  trans52.950.8-173.1-52.4-175.8-8.400114.2V791 E792V791-Q795 WeakPolarHBondContact O-CA 3.42Å; V791-Q795 PolarHBondContact O-N 3.34Å; E792-Q795 WeakPolarHBondContact O-CG 3.18Å; E792-Q795 PolarHBondContact O-NE2 3.07Å
796P95.2Very high88.4Confident7 Ų754.3 Ų54.35%0.04527%0.274CS..PPolyproline II helixtrans-75.1157.2-176.133.7-34.6000111.5Y600 L768 I770 I794 P798Y600-P796 HydrophobicContact CD1-CG 4.08Å; Y600-P796 HydrophobicContact CE1-CG 4.19Å; Y600-P796 WeakPolarHBondContact CE1-O 3.44Å; L768-P796 HydrophobicContact CB-CB 3.98Å; L768-P796 HydrophobicContact CB-CG 4.34Å; L768-P796 HydrophobicContact CD1-CB 4.08Å; L768-P796 HydrophobicContact CD1-CG 4.43Å; L768-P796 HydrophobicContact CG-CB 4.09Å; I770-P796 HydrophobicContact CD1-CG 4.17Å; I794-P796 HydrophobicContact CG2-CB 4.11Å; I794-P796 HydrophobicContact CG2-CG 4.22Å; P796-P798 WeakPolarHBondContact O-CD 3.36Å
797I95.2Very high87.6Confident108 Ų10854.8 Ų54.855%0.55428%0.277SS*.EExtended strand (participates in β ladder)trans-67.6122.4160.9-61.1172.8000107.2S766 T767 L768S766-I797 WeakPolarHBondContact O-CB 3.43Å; S766-I797 WeakPolarHBondContact O-CG1 3.34Å; S766-I797 PolarHBondContact O-N 2.7Å; T767-I797 WeakPolarHBondContact CA-O 3.48Å; T767-I797 HydrophobicContact CG2-CB 4.46Å; L768-I797 PolarHBondContact N-O 3.38Å
798P92.7Very high86.7Confident51 Ų5155.2 Ų55.233%0.33128%0.28SS..EExtended strand (participates in β ladder)trans-66.1137.9-176.2-7.315.7000111.8K599 Y600 P796K599-P798 HydrophobicContact CB-CB 4.33Å; K599-P798 HydrophobicContact CD-CG 4.26Å; K599-P798 HydrophobicContact CG-CB 4.12Å; K599-P798 HydrophobicContact CG-CG 4.11Å; K599-P798 WeakPolarHBondContact O-CB 3.26Å; Y600-P798 HydrophobicContact CD1-CB 3.79Å; Y600-P798 HydrophobicContact CD1-CG 3.89Å; Y600-P798 HydrophobicContact CE1-CB 4.05Å; Y600-P798 HydrophobicContact CE1-CG 3.59Å; Y600-P798 HydrophobicContact CG-CB 4.26Å; P796-P798 WeakPolarHBondContact O-CD 3.36Å
799R84.4Confident85.9Confident63 Ų6356.6 Ų56.624%0.23829%0.287CS..  trans-118.7109.8168.6-169.4160.2-176.6160.7-1.6109.5W623 D625 T767 L768 H769 T801W623-R799 HydrophobicContact CZ3-CG 4.43Å; D625-R799 VanDerWaalsContact CG-CZ 3.41Å; D625-R799 IonicContact OD1-CZ 3.75Å; D625-R799 IonicContact OD1-NH1 3.72Å; D625-R799 PolarHBondContact OD1-NH1 3.32Å; D625-R799 IonicContact OD1-NH2 3.19Å; D625-R799 IonicContact OD2-CZ 3.45Å; D625-R799 IonicContact OD2-NH1 3.33Å; D625-R799 PolarHBondContact OD2-NH1 3.31Å; D625-R799 VanDerWaalsContact OD2-NH1 3.08Å; D625-R799 IonicContact OD2-NH2 2.74Å; D625-R799 PolarHBondContact OD2-NH2 3.26Å; T767-R799 HydrophobicContact CG2-CB 4.23Å; L768-R799 WeakPolarHBondContact O-CB 3.26Å; L768-R799 PolarHBondContact O-N 3.49Å; H769-R799 HydrophobicContact CB-CB 4.38Å; H769-R799 WeakPolarHBondContact CB-O 3.31Å; H769-R799 PolarHBondContact ND1-O 3.45Å; R799-T801 VanDerWaalsContact C-N 3.3Å; R799-T801 PolarHBondContact O-N 3.28Å
800S68.1Low85.3Confident79 Ų7955.6 Ų55.655%0.55228%0.283SS*.  trans-66.5-28.5-17056.60000114.1H769H769-S800 PolarHBondContact CE1-O 3.32Å
801T77.4Confident84.8Confident100 Ų10061 Ų6161%0.61331%0.313SS*.  trans-135.2136.4-176.255.40000113R799R799-T801 VanDerWaalsContact C-N 3.3Å; R799-T801 PolarHBondContact O-N 3.28Å
802R81Confident84.5Confident42 Ų4262.4 Ų62.416%0.15832%0.322CS..PPolyproline II helixtrans-73.5134.5167.9179.5175171.1-142.4-3.1109.6W623 D668 P882 M960W623-R802 HydrophobicContact CD2-CB 4.37Å; W623-R802 HydrophobicContact CD2-CG 3.89Å; W623-R802 HydrophobicContact CE3-CG 4.48Å; W623-R802 HydrophobicContact CG-CG 4.11Å; W623-R802 HydrophobicContact CZ2-CG 4.16Å; D668-R802 IonicContact OD2-NH2 3.7Å; R802-P882 PolarHBondContact NH2-O 3.03Å; R802-M960 VanDerWaalsContact NH1-CE 3.3Å; R802-M960 PolarHBondContact NH1-O 3.49Å
803K76.4Confident84.2Confident88 Ų8856.2 Ų56.238%0.38329%0.293SS..PPolyproline II helixtrans-87.2126.3172.7-174.3-166.3168.5-159.60109.1W623 E738W623-K803 HydrophobicContact CH2-CB 3.81Å; W623-K803 VanDerWaalsContact CH2-N 3.28Å; W623-K803 HydrophobicContact CZ2-CB 3.99Å; E738-K803 IonicContact OE1-NZ 2.7Å; E738-K803 PolarHBondContact OE1-NZ 2.88Å
804L74.3Confident84Confident66 Ų6652.2 Ų52.235%0.34628%0.277SS..PPolyproline II helixtrans-69.5149.1172.7-61178.1000111.2D806 G883L804-D806 PolarHBondContact O-N 3.39Å; L804-G883 CarbonylContact C-O 3.47Å; L804-G883 WeakPolarHBondContact CA-O 3.39Å; L804-G883 VanDerWaalsContact CB-O 3.23Å; L804-G883 WeakPolarHBondContact CB-O 3.31Å; L804-G883 WeakPolarHBondContact CD2-O 3.35Å
805I74.6Confident83.9Confident23 Ų2351.7 Ų51.712%0.11827%0.273CS..PPolyproline II helixtrans-71125.2176.8-60176.1000108.6R736 T807 G883R736-I805 HydrophobicContact CB-CG2 4.29Å; R736-I805 HydrophobicContact CG-CG2 4.36Å; I805-T807 PolarHBondContact O-N 3.32Å; I805-G883 PolarHBondContact N-O 2.98Å
806D73.2Confident83.9Confident5 Ų544.6 Ų44.63%0.02724%0.24CC..PPolyproline II helixtrans-74.3120.4178.9-166.617.6000110.5K737 L804 Y1114 Q1115 T1116K737-D806 HydrophobicContact CB-CB 3.99Å; K737-D806 WeakPolarHBondContact CB-O 3.48Å; K737-D806 HydrophobicContact CD-CB 3.77Å; K737-D806 WeakPolarHBondContact CD-OD2 3.41Å; K737-D806 PolarHBondContact N-O 2.97Å; K737-D806 IonicContact NZ-OD2 3.77Å; K737-D806 PolarHBondContact NZ-OD2 2.94Å; L804-D806 PolarHBondContact O-N 3.39Å; D806-Y1114 VanDerWaalsContact OD2-CB 3.22Å; D806-Y1114 WeakPolarHBondContact OD2-CB 3.39Å; D806-Q1115 WeakPolarHBondContact OD1-CA 3.13Å; D806-Q1115 WeakPolarHBondContact OD1-CB 3.36Å; D806-Q1115 PolarHBondContact OD1-N 3.15Å; D806-T1116 HydrophobicContact CB-CG2 4.21Å; D806-T1116 PolarHBondContact OD1-N 3.17Å; D806-T1116 WeakPolarHBondContact OD2-CB 3.44Å; D806-T1116 PolarHBondContact OD2-N 2.93Å; D806-T1116 PolarHBondContact OD2-OG1 3.05Å
807T79.1Confident83.9Confident13 Ų1344.3 Ų44.38%0.0824%0.238CC..BIsolated β-bridgetrans-96.5155.5-177.7620000112L735 I805 T885 H887 Y1114 Q1115L735-T807 WeakPolarHBondContact O-CA 3.44Å; I805-T807 PolarHBondContact O-N 3.32Å; T807-T885 PolarHBondContact OG1-OG1 3.36Å; T807-H887 PolarHBondContact OG1-CE1 2.95Å; T807-H887 VanDerWaalsContact OG1-CE1 3.28Å; T807-H887 PolarHBondContact OG1-NE2 2.86Å; T807-Y1114 WeakPolarHBondContact O-CA 3.21Å; T807-Y1114 WeakPolarHBondContact O-CD1 3.48Å; T807-Q1115 PolarHBondContact O-N 3.43Å; T807-Q1115 VanDerWaalsContact OG1-CD 3.3Å; T807-Q1115 PolarHBondContact OG1-OE1 3.47Å
808S79.1Confident83.8Confident9 Ų940.8 Ų40.86%0.06322%0.218CC..EExtended strand (participates in β ladder)trans-68135.2177.760.70000111.6L735 I1112L735-S808 WeakPolarHBondContact CA-OG 3.48Å; L735-S808 PolarHBondContact O-N 2.91Å; S808-I1112 VanDerWaalsContact CB-CG2 3.49Å
809I80.2Confident83.8Confident78 Ų7838.4 Ų38.440%0.420%0.202SC..EExtended strand (participates in β ladder)trans-93.8109.4163.8-59174.5000106.7Q1113 Q1115I809-Q1113 PolarHBondContact N-O 3.28Å; I809-Q1115 HydrophobicContact CD1-CB 4.42Å; I809-Q1115 HydrophobicContact CD1-CG 3.95Å; I809-Q1115 HydrophobicContact CG1-CG 3.81Å
810L84.6Confident84.2Confident14 Ų1437.7 Ų37.77%0.07320%0.202CC..PPolyproline II helixtrans-100.6130.6174.3-61.9-176.2000109.7L735 Y815 L836 R999 I1112L735-L810 HydrophobicContact CD2-CD1 4.34Å; L810-Y815 HydrophobicContact CB-CE2 3.88Å; L810-Y815 HydrophobicContact CD1-CD2 4.14Å; L810-Y815 HydrophobicContact CD1-CE2 4.08Å; L810-Y815 HydrophobicContact CD2-CE1 4.25Å; L810-Y815 HydrophobicContact CG-CE2 4.41Å; L810-L836 HydrophobicContact CD1-CD1 3.7Å; L810-R999 WeakPolarHBondContact O-CD 3.21Å; L810-R999 PolarHBondContact O-NE 3.29Å; L810-I1112 HydrophobicContact CD2-CG2 4.48Å
811D87.4Confident85.2Confident115 Ų11534.6 Ų34.662%0.61518%0.18SC*.PPolyproline II helixtrans-64.2153.8170-69.3-39.1000110.2G813 Y815D811-G813 PolarHBondContact O-N 2.96Å; D811-Y815 PolarHBondContact N-OH 3.4Å; D811-Y815 VanDerWaalsContact N-OH 3.16Å; D811-Y815 WeakPolarHBondContact O-CE2 3.35Å; D811-Y815 PolarHBondContact O-OH 3.27Å
812P89.9Confident85.5Confident46 Ų4631 Ų3130%0.29916%0.158SC..SBendtrans-49.3132.4174.5-25.934.1000112.1K996 Q998P812-K996 WeakPolarHBondContact CG-O 3.33Å; P812-Q998 CarbonylContact C-O 2.98Å; P812-Q998 VanDerWaalsContact CA-O 3.29Å; P812-Q998 WeakPolarHBondContact CA-O 3.42Å
813G90.6Very high85.5Confident2 Ų230.7 Ų30.72%0.02116%0.16CC..EExtended strand (participates in β ladder)trans154.4173.5-177.300000114.2D811 Q998 R999 S1000 T1098D811-G813 PolarHBondContact O-N 2.96Å; G813-Q998 PolarHBondContact N-O 3.28Å; G813-R999 WeakPolarHBondContact O-CA 3.01Å; G813-S1000 PolarHBondContact O-N 3.16Å; G813-T1098 CarbonylContact C-O 3.3Å; G813-T1098 WeakPolarHBondContact CA-O 3.4Å
814T91.2Very high85.4Confident8 Ų828.9 Ų28.95%0.04916%0.157CC..EExtended strand (participates in β ladder)trans-110115.8172.5-56.90000109.7Y816 Q998 S1000 T1098 I1100T814-Y816 HydrophobicContact CG2-CD2 3.9Å; T814-Y816 HydrophobicContact CG2-CE2 3.28Å; T814-Y816 WeakPolarHBondContact O-CD2 3.48Å; T814-Q998 PolarHBondContact OG1-NE2 3.47Å; T814-S1000 CarbonylContact C-O 3.42Å; T814-S1000 WeakPolarHBondContact CA-O 3.28Å; T814-S1000 WeakPolarHBondContact CG2-OG 3.27Å; T814-S1000 PolarHBondContact OG1-OG 2.84Å; T814-S1000 VanDerWaalsContact OG1-OG 3.06Å; T814-T1098 PolarHBondContact N-O 3.2Å; T814-I1100 PolarHBondContact O-N 3.11Å
815Y93.5Very high85.2Confident11 Ų1128.3 Ų28.34%0.04315%0.154CC..EExtended strand (participates in β ladder)trans-95.1114.9-177.7-63.5-99000109.7L810 D811 S1000 F1002 I1100 F1108L810-Y815 HydrophobicContact CB-CE2 3.88Å; L810-Y815 HydrophobicContact CD1-CD2 4.14Å; L810-Y815 HydrophobicContact CD1-CE2 4.08Å; L810-Y815 HydrophobicContact CD2-CE1 4.25Å; L810-Y815 HydrophobicContact CG-CE2 4.41Å; D811-Y815 PolarHBondContact N-OH 3.4Å; D811-Y815 VanDerWaalsContact N-OH 3.16Å; D811-Y815 WeakPolarHBondContact O-CE2 3.35Å; D811-Y815 PolarHBondContact O-OH 3.27Å; Y815-S1000 PolarHBondContact N-O 3.42Å; Y815-F1002 PolarHBondContact O-N 3.49Å; Y815-I1100 CarbonylContact C-O 3.57Å; Y815-I1100 WeakPolarHBondContact CA-O 3.33Å; Y815-I1100 HydrophobicContact CD1-CB 3.77Å; Y815-I1100 HydrophobicContact CD1-CD1 3.91Å; Y815-I1100 HydrophobicContact CD1-CG1 4.45Å; Y815-I1100 HydrophobicContact CD1-CG2 3.61Å; Y815-I1100 HydrophobicContact CD2-CD1 4.44Å; Y815-I1100 HydrophobicContact CE1-CB 4.04Å; Y815-I1100 HydrophobicContact CE1-CD1 3.32Å; Y815-I1100 HydrophobicContact CE1-CG1 4.26Å; Y815-I1100 HydrophobicContact CE1-CG2 3.8Å; Y815-I1100 HydrophobicContact CE2-CD1 3.91Å; Y815-I1100 HydrophobicContact CG-CB 4.3Å; Y815-I1100 HydrophobicContact CG-CD1 4.44Å; Y815-F1108 HydrophobicContact CD1-CE1 4.23Å; Y815-F1108 AromaticContact CD1-CE2 3.85Å; Y815-F1108 HydrophobicContact CD1-CE2 3.85Å; Y815-F1108 AromaticContact CD1-CZ 3.33Å; Y815-F1108 HydrophobicContact CD1-CZ 3.33Å; Y815-F1108 AromaticContact CE1-CE2 3.88Å; Y815-F1108 HydrophobicContact CE1-CE2 3.88Å; Y815-F1108 AromaticContact CE1-CZ 3.46Å; Y815-F1108 HydrophobicContact CE1-CZ 3.46Å; Y815-F1108 VanDerWaalsContact CE1-CZ 3.46Å
816Y93.9Very high85.5Confident8 Ų827.9 Ų27.93%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-99.6122.1-177.6-72.4-98.9000110.6T814 F1002 L1036 M1099 I1100 F1101 I1102T814-Y816 HydrophobicContact CG2-CD2 3.9Å; T814-Y816 HydrophobicContact CG2-CE2 3.28Å; T814-Y816 WeakPolarHBondContact O-CD2 3.48Å; Y816-F1002 HydrophobicContact CD1-CB 4.28Å; Y816-F1002 HydrophobicContact CD1-CD1 4Å; Y816-F1002 HydrophobicContact CD1-CG 4.48Å; Y816-F1002 HydrophobicContact CE1-CB 4.47Å; Y816-F1002 AromaticContact CE1-CD1 3.58Å; Y816-F1002 HydrophobicContact CE1-CD1 3.58Å; Y816-F1002 HydrophobicContact CE1-CE1 4.31Å; Y816-F1002 HydrophobicContact CE1-CG 4.44Å; Y816-L1036 HydrophobicContact CD1-CD2 4.21Å; Y816-L1036 HydrophobicContact CE1-CD1 4.29Å; Y816-L1036 HydrophobicContact CE1-CD2 3.93Å; Y816-L1036 HydrophobicContact CE2-CD1 4.43Å; Y816-M1099 HydrophobicContact CE2-CB 4.42Å; Y816-M1099 HydrophobicContact CE2-CE 4.47Å; Y816-M1099 HydrophobicContact CE2-CG 4.07Å; Y816-M1099 HydrophobicContact CE2-SD 4.41Å; Y816-I1100 PolarHBondContact N-O 3.03Å; Y816-F1101 HydrophobicContact CD2-CE1 4.43Å; Y816-F1101 HydrophobicContact CG-CD1 4.49Å; Y816-I1102 WeakPolarHBondContact O-CA 3.25Å; Y816-I1102 WeakPolarHBondContact O-CB 3.38Å; Y816-I1102 PolarHBondContact O-N 3.01Å
817L94.5Very high86Confident1 Ų128.7 Ų28.71%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-124.3120.4170.2173.963.4000109.1L730 L734 V819 F1002 V1003 Q1004 T1028 I1102 L1105L730-L817 HydrophobicContact CB-CD2 3.99Å; L730-L817 HydrophobicContact CD1-CD2 4.11Å; L730-L817 HydrophobicContact CD2-CD2 4.44Å; L730-L817 HydrophobicContact CG-CD2 4.41Å; L734-L817 HydrophobicContact CD1-CD2 3.94Å; L817-V819 HydrophobicContact CD1-CG1 3.93Å; L817-V819 HydrophobicContact CG-CG1 4.17Å; L817-F1002 PolarHBondContact N-O 2.86Å; L817-V1003 HydrophobicContact CD2-CG1 4.29Å; L817-V1003 CarbonylContact O-C 3.59Å; L817-V1003 WeakPolarHBondContact O-CA 3.29Å; L817-Q1004 PolarHBondContact O-N 2.94Å; L817-T1028 HydrophobicContact CD1-CG2 4.14Å; L817-I1102 HydrophobicContact CB-CB 4.25Å; L817-I1102 HydrophobicContact CB-CD1 4.29Å; L817-I1102 HydrophobicContact CD1-CB 4.18Å; L817-I1102 HydrophobicContact CD1-CG2 3.95Å; L817-L1105 HydrophobicContact CD1-CD1 4.31Å; L817-L1105 HydrophobicContact CD2-CD1 3.98Å
818R93.9Very high86.4Confident34 Ų3428.7 Ų28.713%0.12816%0.157CC..EExtended strand (participates in β ladder)trans-119.5129.7173-169.5173.2170.4171.3-11.3110.1D904 Q1004 D1006 I1029R818-D904 IonicContact CZ-OD1 3.73Å; R818-D904 IonicContact NH1-OD1 2.71Å; R818-D904 PolarHBondContact NH1-OD1 2.81Å; R818-Q1004 WeakPolarHBondContact CA-O 3.43Å; R818-Q1004 HydrophobicContact CB-CB 4.26Å; R818-Q1004 HydrophobicContact CG-CB 4.04Å; R818-D1006 HydrophobicContact CG-CB 4.44Å; R818-D1006 IonicContact CZ-OD2 3.19Å; R818-D1006 IonicContact NE-OD2 2.9Å; R818-D1006 PolarHBondContact NE-OD2 2.9Å; R818-D1006 IonicContact NH2-OD2 3.56Å; R818-D1006 PolarHBondContact NH2-OD2 3.21Å; R818-I1029 HydrophobicContact CB-CB 4.21Å; R818-I1029 HydrophobicContact CG-CB 4Å; R818-I1029 HydrophobicContact CG-CD1 3.94Å; R818-I1029 HydrophobicContact CG-CG1 4.38Å; R818-I1029 PolarHBondContact O-N 3.41Å
819V93.3Very high87Confident1 Ų128.3 Ų28.31%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-133.3149.1179.5-60.90000110.1L726 L730 L817 Q1004 V1005 D1006 N1027L726-V819 HydrophobicContact CD2-CG2 4.25Å; L730-V819 HydrophobicContact CD1-CB 4.4Å; L730-V819 HydrophobicContact CD1-CG1 3.95Å; L730-V819 HydrophobicContact CD1-CG2 3.6Å; L817-V819 HydrophobicContact CD1-CG1 3.93Å; L817-V819 HydrophobicContact CG-CG1 4.17Å; V819-Q1004 PolarHBondContact N-O 3.4Å; V819-V1005 HydrophobicContact CG2-CB 4.44Å; V819-V1005 HydrophobicContact CG2-CG2 3.87Å; V819-V1005 WeakPolarHBondContact O-CA 3.44Å; V819-D1006 PolarHBondContact O-N 3.19Å; V819-N1027 WeakPolarHBondContact CA-O 3.42Å
820M91.6Very high87.7Confident48 Ų4824.7 Ų24.724%0.23614%0.136CC..EExtended strand (participates in β ladder)trans-76141.4167.6-70.9-60.8-57.700110.4D1006 I1008 N1027 I1029M820-D1006 CarbonylContact C-O 3.54Å; M820-D1006 HydrophobicContact SD-CB 4.02Å; M820-I1008 HydrophobicContact CE-CG1 3.9Å; M820-N1027 HydrophobicContact CB-CB 4.27Å; M820-N1027 PolarHBondContact N-O 3.14Å; M820-I1029 HydrophobicContact CG-CD1 3.7Å; M820-I1029 HydrophobicContact CG-CG1 3.94Å; M820-I1029 HydrophobicContact SD-CD1 3.37Å; M820-I1029 WeakPolarHBondContact SD-CD1 3.46Å; M820-I1029 HydrophobicContact SD-CG1 4.25Å
821N88.7Confident88.2Confident15 Ų1524 Ų248%0.0813%0.132CC..  trans-61.8146.1170.5-168.822.5000110.8L721 N823 V1005 D1006 V1007L721-N821 PolarHBondContact O-ND2 3.29Å; L721-N821 PolarHBondContact O-OD1 2.96Å; N821-N823 VanDerWaalsContact C-N 3.3Å; N821-N823 PolarHBondContact ND2-O 3.21Å; N821-V1005 HydrophobicContact CB-CG1 3.77Å; N821-D1006 WeakPolarHBondContact CB-O 3.17Å; N821-D1006 PolarHBondContact N-O 2.94Å; N821-V1007 HydrophobicContact CB-CG1 3.72Å
822C84.7Confident88.6Confident23 Ų2318.6 Ų18.616%0.15510%0.103CC..SBendtrans-76.2-19.6177.1-64.50000112.9L721 P824 L1024L721-C822 HydrophobicContact CD2-CB 3.9Å; C822-P824 WeakPolarHBondContact O-CD 3.47Å; C822-L1024 HydrophobicContact CB-CD2 3.89Å
823N80.7Confident88.9Confident36 Ų3616.5 Ų16.519%0.1939%0.089CC..  trans-97.3106.5173-174.74.6000110.8L721 N821 N825 D826L721-N823 HydrophobicContact CB-CB 4.07Å; L721-N823 HydrophobicContact CD2-CB 4.24Å; L721-N823 WeakPolarHBondContact O-CB 3.28Å; N821-N823 VanDerWaalsContact C-N 3.3Å; N821-N823 PolarHBondContact ND2-O 3.21Å; N823-N825 PolarHBondContact O-N 3.03Å; N823-N825 WeakPolarHBondContact OD1-CB 3.48Å; N823-N825 PolarHBondContact OD1-N 2.97Å; N823-N825 VanDerWaalsContact OD1-N 3.07Å; N823-D826 HydrophobicContact CB-CB 4.19Å; N823-D826 PolarHBondContact O-N 2.84Å
824P73.6Confident89Confident50 Ų5016.6 Ų16.633%0.3259%0.089SC..THydrogen-bonded Turntrans-70-15.5179.829.1-34.6000113.6C822 P1011 T1016C822-P824 WeakPolarHBondContact O-CD 3.47Å; P824-P1011 WeakPolarHBondContact O-CB 3.24Å; P824-T1016 HydrophobicContact CG-CG2 3.83Å
825N71.9Confident89.1Confident54 Ų5416.2 Ų16.229%0.2899%0.087SC..THydrogen-bonded Turntrans-90.3-12.3-179.5-63-47000113.3N823 T1016N823-N825 PolarHBondContact O-N 3.03Å; N823-N825 WeakPolarHBondContact OD1-CB 3.48Å; N823-N825 PolarHBondContact OD1-N 2.97Å; N823-N825 VanDerWaalsContact OD1-N 3.07Å; N825-T1016 PolarHBondContact ND2-OG1 3.26Å; N825-T1016 VanDerWaalsContact ND2-OG1 3.16Å; N825-T1016 PolarHBondContact OD1-OG1 3.01Å; N825-T1016 VanDerWaalsContact OD1-OG1 3.12Å
826D79.6Confident89Confident15 Ų1516.4 Ų16.48%0.089%0.089CC..  trans-83.8117.5175.8-165.4-12.6000109.2P723 N823 N828 V1007P723-D826 WeakPolarHBondContact CD-OD2 3.41Å; P723-D826 WeakPolarHBondContact CG-OD2 3.34Å; N823-D826 HydrophobicContact CB-CB 4.19Å; N823-D826 PolarHBondContact O-N 2.84Å; D826-N828 VanDerWaalsContact C-N 3.28Å; D826-N828 VanDerWaalsContact OD1-CB 3.28Å; D826-N828 WeakPolarHBondContact OD1-CB 3.21Å; D826-N828 PolarHBondContact OD1-N 3.09Å; D826-N828 PolarHBondContact OD1-ND2 3.26Å; D826-V1007 WeakPolarHBondContact O-CB 3.17Å; D826-V1007 WeakPolarHBondContact O-CG1 3.28Å
827V85Confident88.7Confident21 Ų2116.7 Ų16.713%0.1279%0.091CC..  trans-870.3179.3-61.70000112.5P897 A898 V1007 P1011V827-P897 CarbonylContact O-C 3.52Å; V827-P897 WeakPolarHBondContact O-CA 3.45Å; V827-A898 PolarHBondContact O-N 3.4Å; V827-V1007 WeakPolarHBondContact O-CG2 3.34Å; V827-P1011 HydrophobicContact CG1-CG 3.86Å
828N86.2Confident88Confident13 Ų1317 Ų177%0.079%0.094CC..EExtended strand (participates in β ladder)trans-89.6118-179.6-60.7-71.3000111.5P723 D826 V1007P723-N828 WeakPolarHBondContact CG-O 3.46Å; D826-N828 VanDerWaalsContact C-N 3.28Å; D826-N828 VanDerWaalsContact OD1-CB 3.28Å; D826-N828 WeakPolarHBondContact OD1-CB 3.21Å; D826-N828 PolarHBondContact OD1-N 3.09Å; D826-N828 PolarHBondContact OD1-ND2 3.26Å; N828-V1007 WeakPolarHBondContact O-CG1 3.16Å
829M92.5Very high87.4Confident2 Ų221.6 Ų21.61%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-78.6152.4168.4-56174.5-62.400109.9L831 Y895 S896 A898 Y901 I903 V906 V1005 V1007M829-L831 HydrophobicContact CB-CD1 3.97Å; M829-Y895 VanDerWaalsContact O-CA 3.31Å; M829-Y895 WeakPolarHBondContact O-CA 3.42Å; M829-S896 WeakPolarHBondContact CB-O 3.49Å; M829-S896 WeakPolarHBondContact CE-O 3.48Å; M829-S896 PolarHBondContact N-O 3.44Å; M829-S896 PolarHBondContact O-N 3.07Å; M829-S896 VanDerWaalsContact O-N 3.16Å; M829-A898 HydrophobicContact CE-CB 4.28Å; M829-A898 HydrophobicContact CG-CB 3.94Å; M829-A898 HydrophobicContact SD-CB 3.85Å; M829-Y901 VanDerWaalsContact CE-O 3.28Å; M829-Y901 WeakPolarHBondContact CE-O 3.39Å; M829-I903 HydrophobicContact SD-CB 3.55Å; M829-I903 VanDerWaalsContact SD-CB 3.55Å; M829-I903 HydrophobicContact SD-CD1 4.4Å; M829-I903 HydrophobicContact SD-CG1 4.03Å; M829-V906 HydrophobicContact CE-CG2 4.23Å; M829-V1005 WeakPolarHBondContact CA-O 3.44Å; M829-V1007 HydrophobicContact CG-CG2 3.61Å
830C94.3Very high87Confident2 Ų221.8 Ų21.81%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-126.8116170.7175.30000110.5P723 N727 Y895 V1005P723-C830 HydrophobicContact CB-CB 3.72Å; N727-C830 HydrophobicContact CB-CB 4.38Å; N727-C830 VanDerWaalsContact CB-SG 3.58Å; N727-C830 PolarHBondContact ND2-O 3.18Å; N727-C830 VanDerWaalsContact ND2-O 3.08Å; C830-Y895 HydrophobicContact CB-CD1 3.77Å; C830-Y895 HydrophobicContact CB-CE1 3.7Å; C830-Y895 WeakPolarHBondContact SG-CE1 3.46Å; C830-V1005 HydrophobicContact CB-CB 4.28Å; C830-V1005 PolarHBondContact N-O 3.17Å; C830-V1005 PolarHBondContact O-N 3.39Å
831L95.7Very high86.8Confident0 Ų023.8 Ų23.80%013%0.13CC..EExtended strand (participates in β ladder)trans-113.8128.6177.4-61.987.6000109.3M829 V893 A894 I903 V906 A907 L910 F1002 Q1004M829-L831 HydrophobicContact CB-CD1 3.97Å; L831-V893 VanDerWaalsContact O-CA 3.28Å; L831-V893 WeakPolarHBondContact O-CA 3.47Å; L831-V893 WeakPolarHBondContact O-CG1 3.36Å; L831-A894 PolarHBondContact N-O 2.84Å; L831-A894 PolarHBondContact O-N 3.1Å; L831-I903 HydrophobicContact CD1-CG1 4.06Å; L831-I903 HydrophobicContact CD2-CG1 3.72Å; L831-I903 HydrophobicContact CG-CD1 4.45Å; L831-I903 HydrophobicContact CG-CG1 3.97Å; L831-V906 HydrophobicContact CD1-CB 4.25Å; L831-V906 HydrophobicContact CD1-CG1 3.88Å; L831-V906 HydrophobicContact CD2-CB 4.06Å; L831-V906 HydrophobicContact CD2-CG1 4.03Å; L831-V906 HydrophobicContact CG-CG1 4.48Å; L831-A907 HydrophobicContact CD2-CB 3.81Å; L831-L910 HydrophobicContact CB-CD1 3.85Å; L831-F1002 HydrophobicContact CB-CE2 4.17Å; L831-F1002 HydrophobicContact CD2-CE2 4.44Å; L831-F1002 HydrophobicContact CD2-CZ 4.37Å; L831-Q1004 HydrophobicContact CD2-CG 4.31Å; L831-Q1004 HydrophobicContact CG-CG 4.39Å
832A95.4Very high86.8Confident1 Ų124.9 Ų24.91%0.00814%0.136CC..EExtended strand (participates in β ladder)trans-133.6117.3177.300000110.5N727 I834 V893 F1002 V1003N727-A832 WeakPolarHBondContact OD1-CB 3.28Å; A832-I834 HydrophobicContact CB-CD1 4.12Å; A832-V893 HydrophobicContact CB-CG1 4.39Å; A832-V893 HydrophobicContact CB-CG2 3.85Å; A832-F1002 WeakPolarHBondContact O-CD2 3.11Å; A832-V1003 PolarHBondContact N-O 2.9Å; A832-V1003 PolarHBondContact O-N 3.49Å
833R95.1Very high87.2Confident1 Ų128.9 Ų28.90%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-99.5111.2170.8-166.3175.8-171.3134.24.5109.1H835 S891 L892 T911 F1002R833-H835 PolarHBondContact NE-CE1 3.05Å; R833-S891 WeakPolarHBondContact O-CA 3.49Å; R833-L892 PolarHBondContact N-O 2.77Å; R833-L892 PolarHBondContact O-N 2.81Å; R833-T911 VanDerWaalsContact NH1-CG2 3.35Å; R833-T911 PolarHBondContact NH1-OG1 2.77Å; R833-F1002 HydrophobicContact CB-CD2 4.11Å; R833-F1002 HydrophobicContact CB-CE2 4.24Å; R833-F1002 HydrophobicContact CB-CG 4.46Å; R833-F1002 HydrophobicContact CG-CG 4.4Å
834I93.5Very high87.8Confident5 Ų529.5 Ų29.53%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-103.7113-177.3-46.4-58.4000108.5Q731 A832 L836 W878 S891 S1000 L1001Q731-I834 HydrophobicContact CG-CG1 4.17Å; A832-I834 HydrophobicContact CB-CD1 4.12Å; I834-L836 HydrophobicContact CG2-CD2 3.84Å; I834-W878 HydrophobicContact CG2-CZ2 3.87Å; I834-S891 VanDerWaalsContact CD1-CB 3.4Å; I834-S1000 CarbonylContact O-C 3.6Å; I834-S1000 WeakPolarHBondContact O-CA 3.5Å; I834-S1000 WeakPolarHBondContact O-CB 3.29Å; I834-L1001 HydrophobicContact CB-CB 4.39Å; I834-L1001 PolarHBondContact N-O 3.36Å; I834-L1001 PolarHBondContact O-N 2.9Å
835H94.2Very high88.7Confident0 Ų027.2 Ų27.20%014%0.137CC..EExtended strand (participates in β ladder)trans-90.1122.5174.9-58.8-81.8000109.1R833 G889 I890 W914 Y992R833-H835 PolarHBondContact NE-CE1 3.05Å; H835-G889 VanDerWaalsContact O-CA 3.23Å; H835-G889 WeakPolarHBondContact O-CA 3.33Å; H835-I890 WeakPolarHBondContact CB-O 3.5Å; H835-I890 PolarHBondContact N-O 2.78Å; H835-I890 PolarHBondContact O-N 2.98Å; H835-W914 HydrophobicContact CB-CZ2 4.2Å; H835-W914 AromaticContact CD2-CD2 3.82Å; H835-W914 AromaticContact CD2-CE2 3.58Å; H835-W914 AromaticContact CD2-CZ2 3.69Å; H835-W914 AromaticContact CE1-CD1 3.18Å; H835-W914 AromaticContact CE1-CD2 3.68Å; H835-W914 AromaticContact CE1-CE2 3.37Å; H835-W914 AromaticContact CE1-CG 3.54Å; H835-W914 AromaticContact CE1-NE1 3.06Å; H835-W914 PolarHBondContact CE1-NE1 2.84Å; H835-W914 AromaticContact CG-CE2 3.71Å; H835-W914 AromaticContact CG-CZ2 3.65Å; H835-W914 AromaticContact CG-NE1 3.96Å; H835-W914 AromaticContact ND1-CD1 3.93Å; H835-W914 AromaticContact ND1-CE2 3.58Å; H835-W914 AromaticContact ND1-CZ2 3.94Å; H835-W914 AromaticContact ND1-NE1 3.34Å; H835-W914 PolarHBondContact ND1-NE1 2.99Å; H835-W914 AromaticContact NE2-CD1 3.62Å; H835-W914 AromaticContact NE2-CD2 3.35Å; H835-W914 VanDerWaalsContact NE2-CD2 3.35Å; H835-W914 AromaticContact NE2-CE2 3.4Å; H835-W914 AromaticContact NE2-CE3 3.98Å; H835-W914 AromaticContact NE2-CG 3.48Å; H835-W914 AromaticContact NE2-NE1 3.58Å; H835-Y992 HydrophobicContact CB-CD1 3.65Å; H835-Y992 HydrophobicContact CB-CE1 3.51Å
836L90.7Very high89.8Confident14 Ų1424.6 Ų24.67%0.07312%0.123CC..EExtended strand (participates in β ladder)trans-105.1120.5-173.1-52.8170.8000109L735 L810 I834 W878 R999L735-L836 HydrophobicContact CD1-CD2 4.18Å; L735-L836 HydrophobicContact CD2-CD1 3.96Å; L735-L836 HydrophobicContact CD2-CD2 4.09Å; L810-L836 HydrophobicContact CD1-CD1 3.7Å; I834-L836 HydrophobicContact CG2-CD2 3.84Å; L836-W878 HydrophobicContact CD2-CH2 3.65Å; L836-W878 HydrophobicContact CD2-CZ2 3.5Å; L836-R999 HydrophobicContact CB-CB 3.98Å; L836-R999 HydrophobicContact CD1-CB 4.46Å; L836-R999 PolarHBondContact N-O 2.92Å
837L88.4Confident90.6Very high14 Ų1424.8 Ų24.87%0.07312%0.123CC..EExtended strand (participates in β ladder)trans-82.3-30.6170.7-167.863000111.4Q844 S888 F987 E991L837-Q844 HydrophobicContact CD2-CB 3.65Å; L837-Q844 HydrophobicContact CD2-CG 4.08Å; L837-S888 VanDerWaalsContact CB-O 3.26Å; L837-S888 WeakPolarHBondContact CB-O 3.22Å; L837-S888 PolarHBondContact N-O 3.4Å; L837-F987 HydrophobicContact CD1-CE2 4.43Å; L837-F987 HydrophobicContact CD1-CZ 4.25Å; L837-F987 HydrophobicContact CD2-CE2 4.38Å; L837-F987 HydrophobicContact CD2-CZ 4.02Å; L837-E991 HydrophobicContact CD1-CB 3.63Å; L837-E991 HydrophobicContact CD1-CG 3.82Å
838G79.5Confident91Very high8 Ų823.8 Ų23.88%0.08212%0.117CC..EExtended strand (participates in β ladder)trans93.1-161.8-167.100000110.8S840 H887 S888G838-S840 PolarHBondContact O-N 2.82Å; G838-H887 WeakPolarHBondContact O-CA 3.41Å; G838-S888 PolarHBondContact O-N 2.92Å
839E80.1Confident91.4Very high131 Ų13125.2 Ų25.261%0.61212%0.123SC*.EExtended strand (participates in β ladder)trans-53.8127.9171.3-177.3173.6-173.600109.9
840S84.8Confident91.6Very high5 Ų525.1 Ų25.14%0.03512%0.122CC..  trans-133.7134.2-168.159.30000113G838 Q844 Q845 L886 S888G838-S840 PolarHBondContact O-N 2.82Å; S840-Q844 VanDerWaalsContact CA-OE1 3.25Å; S840-Q845 PolarHBondContact O-NE2 3.26Å; S840-L886 PolarHBondContact N-O 3.04Å; S840-L886 PolarHBondContact OG-O 3.08Å; S840-S888 VanDerWaalsContact CB-OG 3.25Å; S840-S888 WeakPolarHBondContact CB-OG 3.34Å; S840-S888 VanDerWaalsContact OG-CB 3.3Å; S840-S888 WeakPolarHBondContact OG-CB 3.37Å; S840-S888 PolarHBondContact OG-N 3.04Å; S840-S888 PolarHBondContact OG-OG 3.2Å
841D88.5Confident91.6Very high89 Ų8925 Ų2548%0.47612%0.121SC..  trans-78.7171.8172.769.224.8000112K843 Q844 Q845D841-K843 PolarHBondContact O-N 3.34Å; D841-K843 WeakPolarHBondContact OD1-CA 3.28Å; D841-K843 VanDerWaalsContact OD1-CB 3.32Å; D841-K843 WeakPolarHBondContact OD1-CB 3.31Å; D841-K843 PolarHBondContact OD1-N 3.14Å; D841-Q844 VanDerWaalsContact N-OE1 3.1Å; D841-Q844 PolarHBondContact O-N 3.32Å; D841-Q844 WeakPolarHBondContact OD1-CB 3.3Å; D841-Q844 WeakPolarHBondContact OD1-CG 2.97Å; D841-Q844 PolarHBondContact OD1-N 2.86Å; D841-Q845 VanDerWaalsContact O-CG 3.23Å; D841-Q845 WeakPolarHBondContact O-CG 3.3Å; D841-Q845 PolarHBondContact O-N 3.18Å
842I88.7Confident91.6Very high38 Ų3825.5 Ų25.520%0.19513%0.125CC..Hα-helixtrans-61-34.2-179.2-55.1179.5000110.7Q845 C846 Y968 E971 I975I842-Q845 PolarHBondContact O-N 3.13Å; I842-C846 PolarHBondContact O-N 3.14Å; I842-C846 PolarHBondContact O-SG 3.21Å; I842-C846 VanDerWaalsContact O-SG 3.33Å; I842-Y968 HydrophobicContact CD1-CD2 4.21Å; I842-Y968 HydrophobicContact CD1-CE2 4.48Å; I842-Y968 HydrophobicContact CG1-CD2 4.43Å; I842-Y968 HydrophobicContact CG1-CE2 4.21Å; I842-Y968 HydrophobicContact CG2-CD2 4.46Å; I842-Y968 HydrophobicContact CG2-CE2 4.07Å; I842-E971 WeakPolarHBondContact CD1-OE2 3.37Å; I842-I975 HydrophobicContact CB-CD1 3.98Å; I842-I975 HydrophobicContact CG2-CD1 3.6Å
843K93.7Very high91.4Very high107 Ų10727.1 Ų27.147%0.46513%0.132SC..Hα-helixtrans-61.7-55.3178.5-178.5175.3-179.9176.70110.3D841 Q845 C846 Y847 I975D841-K843 PolarHBondContact O-N 3.34Å; D841-K843 WeakPolarHBondContact OD1-CA 3.28Å; D841-K843 VanDerWaalsContact OD1-CB 3.32Å; D841-K843 WeakPolarHBondContact OD1-CB 3.31Å; D841-K843 PolarHBondContact OD1-N 3.14Å; K843-Q845 VanDerWaalsContact C-N 3.26Å; K843-Q845 PolarHBondContact O-N 3Å; K843-C846 WeakPolarHBondContact O-CA 3.09Å; K843-C846 WeakPolarHBondContact O-CB 3.44Å; K843-C846 PolarHBondContact O-N 2.81Å; K843-Y847 HydrophobicContact CD-CE2 4.29Å; K843-Y847 HydrophobicContact CG-CD2 4Å; K843-Y847 HydrophobicContact CG-CE2 3.69Å; K843-Y847 VanDerWaalsContact O-CD2 3.24Å; K843-Y847 WeakPolarHBondContact O-CD2 3.32Å; K843-Y847 PolarHBondContact O-N 3.21Å; K843-I975 HydrophobicContact CB-CG2 4.34Å; K843-I975 HydrophobicContact CG-CG2 4.21Å
844Q93.3Very high91.3Very high49 Ų4927.6 Ų27.623%0.22914%0.135CC..Hα-helixtrans-57.7-38176.5-72.9177-42.500112.7L837 S840 D841 Y847 N848 F987L837-Q844 HydrophobicContact CD2-CB 3.65Å; L837-Q844 HydrophobicContact CD2-CG 4.08Å; S840-Q844 VanDerWaalsContact CA-OE1 3.25Å; D841-Q844 VanDerWaalsContact N-OE1 3.1Å; D841-Q844 PolarHBondContact O-N 3.32Å; D841-Q844 WeakPolarHBondContact OD1-CB 3.3Å; D841-Q844 WeakPolarHBondContact OD1-CG 2.97Å; D841-Q844 PolarHBondContact OD1-N 2.86Å; Q844-Y847 PolarHBondContact O-N 2.78Å; Q844-N848 PolarHBondContact O-N 3.07Å; Q844-F987 HydrophobicContact CB-CE2 4.45Å; Q844-F987 HydrophobicContact CG-CE2 4.15Å
845Q91.6Very high91.3Very high2 Ų227.3 Ų27.31%0.00913%0.133CC..Hα-helixtrans-63.8-41.3173.9-67.3170.732.600111.8S840 D841 I842 K843 N848 K849 Y968S840-Q845 PolarHBondContact O-NE2 3.26Å; D841-Q845 VanDerWaalsContact O-CG 3.23Å; D841-Q845 WeakPolarHBondContact O-CG 3.3Å; D841-Q845 PolarHBondContact O-N 3.18Å; I842-Q845 PolarHBondContact O-N 3.13Å; K843-Q845 VanDerWaalsContact C-N 3.26Å; K843-Q845 PolarHBondContact O-N 3Å; Q845-N848 PolarHBondContact O-N 2.93Å; Q845-K849 WeakPolarHBondContact O-CB 3.49Å; Q845-K849 VanDerWaalsContact O-CG 3.28Å; Q845-K849 WeakPolarHBondContact O-CG 3.49Å; Q845-K849 PolarHBondContact O-N 2.82Å; Q845-Y968 PolarHBondContact OE1-OH 2.93Å
846C94.5Very high91.2Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-62.2-42.2173.5-71.60000112.3I842 K843 N848 K849 L850 C972 I975 L976 I979I842-C846 PolarHBondContact O-N 3.14Å; I842-C846 PolarHBondContact O-SG 3.21Å; I842-C846 VanDerWaalsContact O-SG 3.33Å; K843-C846 WeakPolarHBondContact O-CA 3.09Å; K843-C846 WeakPolarHBondContact O-CB 3.44Å; K843-C846 PolarHBondContact O-N 2.81Å; C846-N848 PolarHBondContact O-N 3.05Å; C846-K849 PolarHBondContact O-N 3.1Å; C846-L850 WeakPolarHBondContact O-CB 3.34Å; C846-L850 PolarHBondContact O-N 3.04Å; C846-C972 VanDerWaalsContact SG-SG 3.62Å; C846-I975 HydrophobicContact CB-CG2 3.66Å; C846-L976 HydrophobicContact CB-CD2 3.94Å; C846-L976 HydrophobicContact CB-CG 4.21Å; C846-I979 HydrophobicContact CB-CD1 4.21Å
847Y96.2Very high91.1Very high19 Ų1929.4 Ų29.48%0.07515%0.146CC..Hα-helixtrans-57.8-47.4173.1-83.3-89.8000111.3K843 Q844 L850 L851 I979 S983 L984 F987K843-Y847 HydrophobicContact CD-CE2 4.29Å; K843-Y847 HydrophobicContact CG-CD2 4Å; K843-Y847 HydrophobicContact CG-CE2 3.69Å; K843-Y847 VanDerWaalsContact O-CD2 3.24Å; K843-Y847 WeakPolarHBondContact O-CD2 3.32Å; K843-Y847 PolarHBondContact O-N 3.21Å; Q844-Y847 PolarHBondContact O-N 2.78Å; Y847-L850 PolarHBondContact O-N 2.93Å; Y847-L851 WeakPolarHBondContact O-CG 3.22Å; Y847-L851 PolarHBondContact O-N 2.89Å; Y847-I979 HydrophobicContact CD1-CD1 4.45Å; Y847-I979 HydrophobicContact CD1-CG2 4.31Å; Y847-I979 HydrophobicContact CD2-CD1 4.13Å; Y847-I979 HydrophobicContact CE1-CD1 4.44Å; Y847-I979 HydrophobicContact CE1-CG2 3.74Å; Y847-I979 HydrophobicContact CE2-CD1 4.1Å; Y847-I979 HydrophobicContact CE2-CG1 4.2Å; Y847-I979 HydrophobicContact CG-CD1 4.27Å; Y847-S983 WeakPolarHBondContact CE1-O 3.38Å; Y847-S983 WeakPolarHBondContact OH-CB 3.39Å; Y847-S983 PolarHBondContact OH-OG 3.4Å; Y847-L984 HydrophobicContact CD1-CB 4.46Å; Y847-L984 HydrophobicContact CD1-CD1 3.59Å; Y847-L984 HydrophobicContact CE1-CB 4.42Å; Y847-L984 HydrophobicContact CE1-CD1 4.32Å; Y847-L984 HydrophobicContact CG-CD1 4.44Å; Y847-F987 HydrophobicContact CD1-CB 3.64Å; Y847-F987 AromaticContact CD1-CD1 3.9Å; Y847-F987 HydrophobicContact CD1-CD1 3.9Å; Y847-F987 HydrophobicContact CD1-CD2 4.3Å; Y847-F987 AromaticContact CD1-CG 3.68Å; Y847-F987 HydrophobicContact CD1-CG 3.68Å; Y847-F987 HydrophobicContact CE1-CB 3.97Å; Y847-F987 HydrophobicContact CE1-CG 4.42Å; Y847-F987 HydrophobicContact CG-CB 4.3Å; Y847-F987 HydrophobicContact CG-CD1 4Å; Y847-F987 HydrophobicContact CG-CD2 4.11Å; Y847-F987 HydrophobicContact CG-CE1 4.37Å; Y847-F987 HydrophobicContact CG-CE2 4.47Å; Y847-F987 AromaticContact CG-CG 3.86Å; Y847-F987 HydrophobicContact CG-CG 3.86Å
848N95.2Very high91.2Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-66.2-38.1178.9-76.8-22.7000113.5Q844 Q845 C846 L850 A852 Y877 S888 I890 F987 Y992Q844-N848 PolarHBondContact O-N 3.07Å; Q845-N848 PolarHBondContact O-N 2.93Å; C846-N848 PolarHBondContact O-N 3.05Å; N848-L850 VanDerWaalsContact C-N 3.35Å; N848-A852 WeakPolarHBondContact O-CB 3.42Å; N848-A852 PolarHBondContact O-N 3.4Å; N848-Y877 HydrophobicContact CB-CD2 3.66Å; N848-Y877 HydrophobicContact CB-CE2 4.02Å; N848-S888 PolarHBondContact ND2-OG 2.75Å; N848-I890 HydrophobicContact CB-CD1 4.44Å; N848-I890 HydrophobicContact CB-CG1 4.37Å; N848-F987 WeakPolarHBondContact OD1-CE1 3.28Å; N848-Y992 VanDerWaalsContact CG-OH 3.3Å; N848-Y992 PolarHBondContact ND2-OH 3.46Å; N848-Y992 VanDerWaalsContact ND2-OH 3.15Å; N848-Y992 WeakPolarHBondContact OD1-CE2 3.23Å; N848-Y992 PolarHBondContact OD1-OH 3.48Å
849K93.8Very high91.8Very high43 Ų4328.6 Ų28.619%0.18714%0.141CC..Hα-helixtrans-61.1-44.6173.4-73.5169.7-179.6-71.20110.7Q845 C846 A852 F853 Y877 L937 Y968Q845-K849 WeakPolarHBondContact O-CB 3.49Å; Q845-K849 VanDerWaalsContact O-CG 3.28Å; Q845-K849 WeakPolarHBondContact O-CG 3.49Å; Q845-K849 PolarHBondContact O-N 2.82Å; C846-K849 PolarHBondContact O-N 3.1Å; K849-A852 PolarHBondContact O-N 3.27Å; K849-F853 WeakPolarHBondContact O-CB 3.1Å; K849-F853 PolarHBondContact O-N 3.34Å; K849-Y877 HydrophobicContact CG-CD1 3.98Å; K849-Y877 HydrophobicContact CG-CD2 4.36Å; K849-Y877 HydrophobicContact CG-CE1 4.08Å; K849-Y877 HydrophobicContact CG-CE2 4.4Å; K849-Y877 HydrophobicContact CG-CG 4.1Å; K849-L937 HydrophobicContact CB-CD2 3.84Å; K849-Y968 WeakPolarHBondContact CE-OH 3.31Å
850L95.8Very high92.1Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-67.7-42.2178.7-175.360.4000112.5C846 Y847 N848 A852 F853 I854 F930 V934 L937 L976 I979 L984C846-L850 WeakPolarHBondContact O-CB 3.34Å; C846-L850 PolarHBondContact O-N 3.04Å; Y847-L850 PolarHBondContact O-N 2.93Å; N848-L850 VanDerWaalsContact C-N 3.35Å; L850-A852 PolarHBondContact O-N 3.43Å; L850-F853 PolarHBondContact O-N 2.91Å; L850-I854 HydrophobicContact CD1-CD1 3.96Å; L850-I854 HydrophobicContact CD1-CG1 4.34Å; L850-I854 HydrophobicContact CG-CD1 3.94Å; L850-I854 WeakPolarHBondContact O-CB 3.49Å; L850-I854 WeakPolarHBondContact O-CG1 3.5Å; L850-I854 PolarHBondContact O-N 3.13Å; L850-F930 HydrophobicContact CD2-CE2 4.13Å; L850-F930 HydrophobicContact CD2-CZ 4.13Å; L850-V934 HydrophobicContact CD1-CG2 4.08Å; L850-V934 HydrophobicContact CD2-CG2 3.85Å; L850-L937 HydrophobicContact CB-CD2 3.85Å; L850-L937 HydrophobicContact CD1-CD2 4.13Å; L850-L976 HydrophobicContact CB-CD2 4.46Å; L850-I979 HydrophobicContact CD2-CB 4.34Å; L850-I979 HydrophobicContact CD2-CD1 4.32Å; L850-I979 HydrophobicContact CD2-CG2 3.84Å; L850-L984 HydrophobicContact CB-CD1 4.41Å; L850-L984 HydrophobicContact CD2-CD1 4.17Å; L850-L984 HydrophobicContact CD2-CD2 3.92Å; L850-L984 HydrophobicContact CG-CD1 4.4Å; L850-L984 HydrophobicContact CG-CD2 4.03Å
851L96Very high92.1Very high0 Ų025.3 Ų25.30%012%0.124CC..Hα-helixtrans-58-47.8172.8-76.3176000111.6Y847 F853 I854 L855 I890 I922 L984 F987 F988 Y992Y847-L851 WeakPolarHBondContact O-CG 3.22Å; Y847-L851 PolarHBondContact O-N 2.89Å; L851-F853 VanDerWaalsContact C-N 3.34Å; L851-I854 PolarHBondContact O-N 3.31Å; L851-L855 HydrophobicContact CD2-CD1 4.45Å; L851-L855 VanDerWaalsContact O-CB 3.28Å; L851-L855 WeakPolarHBondContact O-CB 3.44Å; L851-L855 VanDerWaalsContact O-CG 3.3Å; L851-L855 WeakPolarHBondContact O-CG 3.46Å; L851-L855 PolarHBondContact O-N 3.03Å; L851-I890 HydrophobicContact CB-CD1 3.62Å; L851-I890 HydrophobicContact CD1-CD1 3.8Å; L851-I890 HydrophobicContact CG-CD1 4.39Å; L851-I922 HydrophobicContact CD2-CD1 3.46Å; L851-I922 VanDerWaalsContact CD2-CD1 3.46Å; L851-I922 HydrophobicContact CD2-CG1 4.44Å; L851-L984 HydrophobicContact CD2-CD1 3.73Å; L851-L984 HydrophobicContact CD2-CD2 4.1Å; L851-L984 HydrophobicContact CD2-CG 3.79Å; L851-L984 HydrophobicContact CG-CD1 3.69Å; L851-L984 HydrophobicContact CG-CG 4.32Å; L851-F987 HydrophobicContact CD1-CD1 3.91Å; L851-F987 HydrophobicContact CD1-CE1 3.83Å; L851-F988 HydrophobicContact CD1-CD2 3.91Å; L851-F988 HydrophobicContact CD2-CB 4.36Å; L851-F988 HydrophobicContact CD2-CD2 3.85Å; L851-Y992 HydrophobicContact CD1-CD2 4.41Å; L851-Y992 HydrophobicContact CD1-CE2 4.05Å
852A94.5Very high92.1Very high10 Ų1021.7 Ų21.78%0.08310%0.104CC..Hα-helixtrans-64.4-40.3178.700000111.9N848 K849 L850 S856 L875N848-A852 WeakPolarHBondContact O-CB 3.42Å; N848-A852 PolarHBondContact O-N 3.4Å; K849-A852 PolarHBondContact O-N 3.27Å; L850-A852 PolarHBondContact O-N 3.43Å; A852-S856 WeakPolarHBondContact O-CB 3.48Å; A852-S856 PolarHBondContact O-N 2.94Å; A852-S856 PolarHBondContact O-OG 3Å; A852-L875 HydrophobicContact CB-CD2 4.04Å
853F91.6Very high92.2Very high35 Ų3519.9 Ų19.915%0.15410%0.095CC..Hα-helixtrans-59.2-46.9175.8-170-92000111.5K849 L850 L851 S856 L937K849-F853 WeakPolarHBondContact O-CB 3.1Å; K849-F853 PolarHBondContact O-N 3.34Å; L850-F853 PolarHBondContact O-N 2.91Å; L851-F853 VanDerWaalsContact C-N 3.34Å; F853-S856 PolarHBondContact O-OG 3.45Å; F853-L937 HydrophobicContact CD2-CD1 4.33Å
854I92.9Very high91.8Very high10 Ų1017.6 Ų17.65%0.0518%0.083CC..Hα-helixtrans-70.4-42.4-179.7-73.2168.2000112.7L850 L851 P858 M925 F930 L984L850-I854 HydrophobicContact CD1-CD1 3.96Å; L850-I854 HydrophobicContact CD1-CG1 4.34Å; L850-I854 HydrophobicContact CG-CD1 3.94Å; L850-I854 WeakPolarHBondContact O-CB 3.49Å; L850-I854 WeakPolarHBondContact O-CG1 3.5Å; L850-I854 PolarHBondContact O-N 3.13Å; L851-I854 PolarHBondContact O-N 3.31Å; I854-P858 WeakPolarHBondContact O-CD 3.46Å; I854-P858 WeakPolarHBondContact O-CG 3.21Å; I854-M925 HydrophobicContact CB-CE 4.39Å; I854-M925 HydrophobicContact CD1-CE 4.45Å; I854-M925 HydrophobicContact CG1-CE 4.21Å; I854-M925 HydrophobicContact CG2-CE 3.44Å; I854-M925 VanDerWaalsContact CG2-CE 3.44Å; I854-F930 HydrophobicContact CD1-CD2 4.19Å; I854-F930 HydrophobicContact CD1-CE2 4.26Å; I854-L984 HydrophobicContact CD1-CD2 3.7Å
855L94.3Very high91.1Very high0 Ų015.8 Ų15.80%08%0.076CC..Hα-helixtrans-92.6-11.5-168.2-63.7172.1000114.2L851 A859 L875 W914 A918 I921 I922 F988L851-L855 HydrophobicContact CD2-CD1 4.45Å; L851-L855 VanDerWaalsContact O-CB 3.28Å; L851-L855 WeakPolarHBondContact O-CB 3.44Å; L851-L855 VanDerWaalsContact O-CG 3.3Å; L851-L855 WeakPolarHBondContact O-CG 3.46Å; L851-L855 PolarHBondContact O-N 3.03Å; L855-A859 WeakPolarHBondContact O-CB 3.4Å; L855-A859 PolarHBondContact O-N 3.02Å; L855-L875 HydrophobicContact CB-CD1 3.78Å; L855-L875 HydrophobicContact CB-CD2 4.1Å; L855-W914 HydrophobicContact CD1-CZ3 4.47Å; L855-A918 HydrophobicContact CD1-CB 3.99Å; L855-A918 HydrophobicContact CD2-CB 3.87Å; L855-I921 HydrophobicContact CD2-CB 4.3Å; L855-I921 HydrophobicContact CD2-CD1 4.49Å; L855-I921 HydrophobicContact CD2-CG2 4.05Å; L855-I922 HydrophobicContact CD1-CD1 4.47Å; L855-I922 HydrophobicContact CD2-CG1 4.37Å; L855-F988 HydrophobicContact CD1-CE2 4.25Å
856S91.2Very high90.8Very high34 Ų3419.3 Ų19.324%0.2389%0.091CC..Hα-helixtrans-61.2-51-17655.80000113.6A852 F853 A859 F860A852-S856 WeakPolarHBondContact O-CB 3.48Å; A852-S856 PolarHBondContact O-N 2.94Å; A852-S856 PolarHBondContact O-OG 3Å; F853-S856 PolarHBondContact O-OG 3.45Å; S856-A859 PolarHBondContact O-N 3.26Å; S856-F860 PolarHBondContact O-N 3.4Å; S856-F860 VanDerWaalsContact O-N 3.08Å
857E88.2Confident90.3Very high24 Ų2420.5 Ų20.511%0.11210%0.096CC..Hα-helixtrans-72.5-44.4179.8-171.9-77150.600113S125 A859 F860 D861S125-E857 WeakPolarHBondContact OG-CB 3.38Å; E857-A859 PolarHBondContact O-N 3.28Å; E857-F860 CarbonylContact O-C 3.51Å; E857-F860 WeakPolarHBondContact O-CA 3.46Å; E857-F860 WeakPolarHBondContact O-CB 3.36Å; E857-F860 PolarHBondContact O-N 2.64Å; E857-D861 PolarHBondContact O-N 2.87Å
858P90.6Very high89.8Confident5 Ų520.8 Ų20.83%0.03210%0.1CC..Hα-helixtrans-58.7-34.4172.6-27.434.9000113.3I854 Y862 F913 I921I854-P858 WeakPolarHBondContact O-CD 3.46Å; I854-P858 WeakPolarHBondContact O-CG 3.21Å; P858-Y862 WeakPolarHBondContact O-CB 3.38Å; P858-Y862 PolarHBondContact O-N 3.48Å; P858-F913 HydrophobicContact CB-CZ 4.48Å; P858-I921 HydrophobicContact CB-CD1 3.69Å; P858-I921 HydrophobicContact CG-CD1 4.48Å
859A91.9Very high89.2Confident0 Ų020.8 Ų20.80%010%0.1CC..Hα-helixtrans-65.3-42.8173.200000111.6L855 S856 E857 L863 L875 L892 F913L855-A859 WeakPolarHBondContact O-CB 3.4Å; L855-A859 PolarHBondContact O-N 3.02Å; S856-A859 PolarHBondContact O-N 3.26Å; E857-A859 PolarHBondContact O-N 3.28Å; A859-L863 HydrophobicContact CB-CD1 4.49Å; A859-L863 WeakPolarHBondContact O-CB 3.42Å; A859-L863 WeakPolarHBondContact O-CG 3.4Å; A859-L863 PolarHBondContact O-N 3.05Å; A859-L875 HydrophobicContact CB-CB 4.03Å; A859-L875 HydrophobicContact CB-CD1 4.29Å; A859-L892 HydrophobicContact CB-CD1 4.3Å; A859-F913 HydrophobicContact CB-CD1 4.33Å; A859-F913 HydrophobicContact CB-CE1 3.54Å; A859-F913 HydrophobicContact CB-CE2 4.17Å; A859-F913 HydrophobicContact CB-CZ 3.45Å; A859-F913 VanDerWaalsContact CB-CZ 3.45Å
860F86.7Confident88.3Confident58 Ų5818.8 Ų18.825%0.2549%0.092SC..Hα-helixtrans-65.8-54178-174.7-87.6000111.5S856 E857 Y862 R864 T865 V873S856-F860 PolarHBondContact O-N 3.4Å; S856-F860 VanDerWaalsContact O-N 3.08Å; E857-F860 CarbonylContact O-C 3.51Å; E857-F860 WeakPolarHBondContact O-CA 3.46Å; E857-F860 WeakPolarHBondContact O-CB 3.36Å; E857-F860 PolarHBondContact O-N 2.64Å; F860-Y862 PolarHBondContact O-N 3.17Å; F860-R864 VanDerWaalsContact CZ-NE 3.33Å; F860-R864 WeakPolarHBondContact O-CA 3.12Å; F860-R864 WeakPolarHBondContact O-CB 3.49Å; F860-R864 PolarHBondContact O-N 3.06Å; F860-T865 PolarHBondContact O-N 3.22Å; F860-V873 WeakPolarHBondContact CD2-O 3.34Å
861D84.4Confident87Confident9 Ų921.9 Ų21.95%0.04810%0.104CC..Iπ-helixtrans-59.7-47.7-179178.361.7000112N118 E857 T865 K866N118-D861 PolarHBondContact ND2-OD1 2.65Å; E857-D861 PolarHBondContact O-N 2.87Å; D861-T865 WeakPolarHBondContact O-CA 3.41Å; D861-T865 VanDerWaalsContact O-CB 3.24Å; D861-T865 WeakPolarHBondContact O-CB 3.33Å; D861-T865 PolarHBondContact O-N 2.86Å; D861-T865 VanDerWaalsContact O-N 3.1Å; D861-K866 PolarHBondContact O-N 3.24Å; D861-K866 IonicContact OD1-NZ 2.81Å; D861-K866 WeakPolarHBondContact OD2-CE 3.35Å; D861-K866 IonicContact OD2-NZ 3.49Å; D861-K866 PolarHBondContact OD2-NZ 2.97Å
862Y89.1Confident86.4Confident13 Ų1324.1 Ų24.15%0.05112%0.118CC..Iπ-helixtrans-66.1-54-179.8-176.3-103.9000112.3P858 F860 E867 F913 I917 A1051 T1054P858-Y862 WeakPolarHBondContact O-CB 3.38Å; P858-Y862 PolarHBondContact O-N 3.48Å; F860-Y862 PolarHBondContact O-N 3.17Å; Y862-E867 HydrophobicContact CD1-CG 4.37Å; Y862-E867 HydrophobicContact CE1-CG 3.99Å; Y862-E867 HydrophobicContact CE2-CG 4.42Å; Y862-E867 WeakPolarHBondContact O-CB 3.48Å; Y862-E867 WeakPolarHBondContact O-CG 2.93Å; Y862-E867 PolarHBondContact O-N 2.87Å; Y862-E867 PolarHBondContact OH-OE1 3.06Å; Y862-F913 AromaticContact CD1-CD2 3.79Å; Y862-F913 HydrophobicContact CD1-CD2 3.79Å; Y862-F913 HydrophobicContact CG-CD2 4.38Å; Y862-I917 HydrophobicContact CD1-CD1 4.07Å; Y862-I917 HydrophobicContact CE1-CD1 3.54Å; Y862-I917 HydrophobicContact CE2-CD1 4.24Å; Y862-A1051 HydrophobicContact CD2-CB 4.28Å; Y862-A1051 HydrophobicContact CE2-CB 3.42Å; Y862-A1051 VanDerWaalsContact CE2-CB 3.42Å; Y862-T1054 HydrophobicContact CD2-CG2 4Å
863L90.9Very high86.1Confident0 Ų023.8 Ų23.80%012%0.115CC..Iπ-helixtrans-82.5-34.7-170.7-60.9169.8000113.3A859 T868 L869 V873 L892 R909 L910 F913A859-L863 HydrophobicContact CB-CD1 4.49Å; A859-L863 WeakPolarHBondContact O-CB 3.42Å; A859-L863 WeakPolarHBondContact O-CG 3.4Å; A859-L863 PolarHBondContact O-N 3.05Å; L863-T868 PolarHBondContact O-N 3.5Å; L863-L869 HydrophobicContact CB-CD1 4.07Å; L863-L869 HydrophobicContact CD2-CD1 3.71Å; L863-L869 HydrophobicContact CG-CD1 4.48Å; L863-L869 WeakPolarHBondContact O-CB 3.4Å; L863-L869 VanDerWaalsContact O-CG 3.28Å; L863-L869 WeakPolarHBondContact O-CG 3.22Å; L863-L869 PolarHBondContact O-N 2.95Å; L863-V873 HydrophobicContact CB-CG1 3.87Å; L863-V873 HydrophobicContact CB-CG2 4.34Å; L863-V873 HydrophobicContact CD1-CG1 3.86Å; L863-L892 HydrophobicContact CD1-CD1 3.98Å; L863-R909 HydrophobicContact CD2-CB 4.15Å; L863-L910 HydrophobicContact CD1-CD2 3.73Å; L863-L910 HydrophobicContact CD2-CD2 4.47Å; L863-F913 HydrophobicContact CD1-CB 4.34Å; L863-F913 HydrophobicContact CD1-CD1 4.49Å; L863-F913 HydrophobicContact CD1-CG 4.19Å; L863-F913 HydrophobicContact CD2-CB 4.24Å; L863-F913 HydrophobicContact CG-CD2 4.48Å
864R84.8Confident86.1Confident58 Ų5825.1 Ų25.122%0.21912%0.119CC..Iπ-helixtrans-93.7-57.8177.3171.4-169.9162.9153.3-12111.8F860 K866 T868 G870 Y871 V873F860-R864 VanDerWaalsContact CZ-NE 3.33Å; F860-R864 WeakPolarHBondContact O-CA 3.12Å; F860-R864 WeakPolarHBondContact O-CB 3.49Å; F860-R864 PolarHBondContact O-N 3.06Å; R864-K866 PolarHBondContact O-N 2.9Å; R864-T868 WeakPolarHBondContact O-CA 3.46Å; R864-T868 PolarHBondContact O-N 3.06Å; R864-G870 WeakPolarHBondContact CG-O 3.5Å; R864-Y871 VanDerWaalsContact CD-O 3.31Å; R864-Y871 WeakPolarHBondContact CD-O 3.24Å; R864-Y871 PolarHBondContact NH1-O 3.13Å; R864-V873 HydrophobicContact CB-CB 4.25Å; R864-V873 HydrophobicContact CB-CG2 4.08Å
865T79.4Confident86.2Confident12 Ų1225.1 Ų25.17%0.07412%0.119CC..Iπ-helixtrans-69.7-36.7-169.5-52.90000112N118 F860 D861N118-T865 PolarHBondContact ND2-OG1 3.47Å; F860-T865 PolarHBondContact O-N 3.22Å; D861-T865 WeakPolarHBondContact O-CA 3.41Å; D861-T865 VanDerWaalsContact O-CB 3.24Å; D861-T865 WeakPolarHBondContact O-CB 3.33Å; D861-T865 PolarHBondContact O-N 2.86Å; D861-T865 VanDerWaalsContact O-N 3.1Å
866K84.1Confident86.1Confident75 Ų7530.8 Ų30.833%0.32614%0.141SC..Iπ-helixtrans-108-48.6-169.5-64-179.5178.2151.80113.9D861 R864 T868 T1054D861-K866 PolarHBondContact O-N 3.24Å; D861-K866 IonicContact OD1-NZ 2.81Å; D861-K866 WeakPolarHBondContact OD2-CE 3.35Å; D861-K866 IonicContact OD2-NZ 3.49Å; D861-K866 PolarHBondContact OD2-NZ 2.97Å; R864-K866 PolarHBondContact O-N 2.9Å; K866-T868 VanDerWaalsContact C-N 3.25Å; K866-T1054 HydrophobicContact CB-CG2 4.35Å; K866-T1054 HydrophobicContact CD-CG2 2.94Å; K866-T1054 HydrophobicContact CG-CG2 4.23Å; K866-T1054 PolarHBondContact NZ-O 3.24Å
867E85.2Confident86.2Confident25 Ų2531.3 Ų31.312%0.11714%0.138CC..SBendtrans-73.5-21.8172.3-66.9-99.5-158.200111.3Y862 L869 Y901 Y905 R909Y862-E867 HydrophobicContact CD1-CG 4.37Å; Y862-E867 HydrophobicContact CE1-CG 3.99Å; Y862-E867 HydrophobicContact CE2-CG 4.42Å; Y862-E867 WeakPolarHBondContact O-CB 3.48Å; Y862-E867 WeakPolarHBondContact O-CG 2.93Å; Y862-E867 PolarHBondContact O-N 2.87Å; Y862-E867 PolarHBondContact OH-OE1 3.06Å; E867-L869 HydrophobicContact CB-CD1 4.44Å; E867-L869 HydrophobicContact CB-CD2 4.06Å; E867-L869 HydrophobicContact CB-CG 3.81Å; E867-L869 PolarHBondContact O-N 3.1Å; E867-Y901 PolarHBondContact O-OH 3.44Å; E867-Y905 PolarHBondContact OE2-OH 3.43Å; E867-R909 IonicContact OE1-CZ 3.51Å; E867-R909 IonicContact OE1-NE 2.6Å; E867-R909 IonicContact OE1-NH1 3.38Å; E867-R909 PolarHBondContact OE1-NH1 2.84Å; E867-R909 IonicContact OE2-CZ 3.49Å; E867-R909 IonicContact OE2-NE 2.77Å; E867-R909 IonicContact OE2-NH1 2.75Å; E867-R909 PolarHBondContact OE2-NH1 2.88Å
868T84.4Confident86.2Confident25 Ų2532.5 Ų32.515%0.15314%0.141CC..  trans55.933.6179.566.30000113.9R174 L863 R864 K866 G870 K900 Y901R174-T868 HydrophobicContact CG-CG2 4.21Å; L863-T868 PolarHBondContact O-N 3.5Å; R864-T868 WeakPolarHBondContact O-CA 3.46Å; R864-T868 PolarHBondContact O-N 3.06Å; K866-T868 VanDerWaalsContact C-N 3.25Å; T868-G870 PolarHBondContact O-N 3.49Å; T868-K900 PolarHBondContact O-NZ 2.9Å; T868-K900 VanDerWaalsContact O-NZ 3.11Å; T868-K900 PolarHBondContact OG1-NZ 3.17Å; T868-Y901 WeakPolarHBondContact O-CE2 3.4Å; T868-Y901 PolarHBondContact O-OH 3.23Å; T868-Y901 PolarHBondContact OG1-OH 2.85Å
869L84.4Confident85.8Confident0 Ų034.8 Ų34.80%015%0.149CC..  trans-60.2-29.6-176.9-61.4-176.3000112.4L863 E867 S896 Y901 Y905 V906 R909L863-L869 HydrophobicContact CB-CD1 4.07Å; L863-L869 HydrophobicContact CD2-CD1 3.71Å; L863-L869 HydrophobicContact CG-CD1 4.48Å; L863-L869 WeakPolarHBondContact O-CB 3.4Å; L863-L869 VanDerWaalsContact O-CG 3.28Å; L863-L869 WeakPolarHBondContact O-CG 3.22Å; L863-L869 PolarHBondContact O-N 2.95Å; E867-L869 HydrophobicContact CB-CD1 4.44Å; E867-L869 HydrophobicContact CB-CD2 4.06Å; E867-L869 HydrophobicContact CB-CG 3.81Å; E867-L869 PolarHBondContact O-N 3.1Å; L869-S896 VanDerWaalsContact O-CA 3.29Å; L869-S896 WeakPolarHBondContact O-CA 3.31Å; L869-S896 WeakPolarHBondContact O-CB 3.46Å; L869-S896 PolarHBondContact O-OG 3.4Å; L869-Y901 HydrophobicContact CD2-CD1 4.41Å; L869-Y901 HydrophobicContact CD2-CE1 4.22Å; L869-Y901 HydrophobicContact CD2-CE2 4.44Å; L869-Y905 HydrophobicContact CD2-CD1 4.18Å; L869-Y905 HydrophobicContact CD2-CE1 3.65Å; L869-V906 HydrophobicContact CD1-CG1 4.39Å; L869-R909 HydrophobicContact CD1-CB 3.7Å; L869-R909 HydrophobicContact CD1-CG 4.16Å; L869-R909 HydrophobicContact CD2-CG 4.19Å
870G75Confident84.9Confident2 Ų235.9 Ų35.92%0.02116%0.157CC..  trans166176.4169.800000111.8R864 T868 T872 Y895R864-G870 WeakPolarHBondContact CG-O 3.5Å; T868-G870 PolarHBondContact O-N 3.49Å; G870-T872 PolarHBondContact O-N 2.89Å; G870-Y895 WeakPolarHBondContact CA-O 3.48Å
871Y68.1Low83.8Confident64 Ų6435.5 Ų35.525%0.25116%0.162SC..SBendtrans-67.1-38.4-171.1-178.7-95.9000113E182 L185 R864E182-Y871 HydrophobicContact CB-CD2 4.01Å; E182-Y871 HydrophobicContact CB-CE2 3.85Å; E182-Y871 HydrophobicContact CG-CD2 4.3Å; E182-Y871 HydrophobicContact CG-CE2 3.76Å; E182-Y871 WeakPolarHBondContact OE2-CE2 3.4Å; E182-Y871 PolarHBondContact OE2-OH 3.03Å; L185-Y871 HydrophobicContact CD1-CD1 3.53Å; L185-Y871 HydrophobicContact CD1-CE1 4.34Å; L185-Y871 HydrophobicContact CD1-CG 3.92Å; R864-Y871 VanDerWaalsContact CD-O 3.31Å; R864-Y871 WeakPolarHBondContact CD-O 3.24Å; R864-Y871 PolarHBondContact NH1-O 3.13Å
872T82.7Confident82.2Confident47 Ų4735.8 Ų35.829%0.28816%0.164SC..EExtended strand (participates in β ladder)trans-111.2109.1-176.9-59.30000110.1G870 Y874 Y895G870-T872 PolarHBondContact O-N 2.89Å; T872-Y874 HydrophobicContact CG2-CD1 4.04Å; T872-Y874 HydrophobicContact CG2-CE1 4.32Å; T872-Y895 HydrophobicContact CG2-CD2 3.33Å; T872-Y895 HydrophobicContact CG2-CE2 3.43Å; T872-Y895 VanDerWaalsContact CG2-CE2 3.43Å; T872-Y895 WeakPolarHBondContact O-CD2 3.39Å; T872-Y895 PolarHBondContact O-N 2.62Å
873V88.9Confident80.4Confident4 Ų435.3 Ų35.32%0.02416%0.163CC..EExtended strand (participates in β ladder)trans-129.7134.3168.9-179.50000107.7F860 L863 R864 V893 A894F860-V873 WeakPolarHBondContact CD2-O 3.34Å; L863-V873 HydrophobicContact CB-CG1 3.87Å; L863-V873 HydrophobicContact CB-CG2 4.34Å; L863-V873 HydrophobicContact CD1-CG1 3.86Å; R864-V873 HydrophobicContact CB-CB 4.25Å; R864-V873 HydrophobicContact CB-CG2 4.08Å; V873-V893 WeakPolarHBondContact CA-O 3.47Å; V873-A894 HydrophobicContact CG2-CB 4.03Å
874Y91.5Very high78.6Confident63 Ų6335.9 Ų35.925%0.24717%0.169CC..EExtended strand (participates in β ladder)trans-151151.9174.963-94.6000112.1T872 R876 V893 Y895T872-Y874 HydrophobicContact CG2-CD1 4.04Å; T872-Y874 HydrophobicContact CG2-CE1 4.32Å; Y874-R876 HydrophobicContact CD2-CB 4.44Å; Y874-R876 HydrophobicContact CD2-CG 4.01Å; Y874-R876 HydrophobicContact CE2-CG 4Å; Y874-V893 HydrophobicContact CD1-CB 4.3Å; Y874-V893 HydrophobicContact CD2-CB 4.29Å; Y874-V893 HydrophobicContact CD2-CG2 4.4Å; Y874-V893 HydrophobicContact CE1-CB 3.81Å; Y874-V893 HydrophobicContact CE1-CG1 3.9Å; Y874-V893 HydrophobicContact CE1-CG2 4.42Å; Y874-V893 HydrophobicContact CE2-CB 3.79Å; Y874-V893 HydrophobicContact CE2-CG2 3.61Å; Y874-V893 PolarHBondContact N-O 2.98Å; Y874-V893 PolarHBondContact O-N 2.91Å; Y874-Y895 HydrophobicContact CE1-CE2 4.04Å
875L94.5Very high77.4Confident9 Ų934.6 Ų34.65%0.04717%0.167CC..EExtended strand (participates in β ladder)trans-120.6127.4169.4-177.9158.7000107.9A852 L855 A859 I890 S891 L892 F913 W914A852-L875 HydrophobicContact CB-CD2 4.04Å; L855-L875 HydrophobicContact CB-CD1 3.78Å; L855-L875 HydrophobicContact CB-CD2 4.1Å; A859-L875 HydrophobicContact CB-CB 4.03Å; A859-L875 HydrophobicContact CB-CD1 4.29Å; L875-I890 HydrophobicContact CD2-CG2 3.75Å; L875-I890 HydrophobicContact CG-CG2 3.9Å; L875-S891 VanDerWaalsContact CA-O 3.32Å; L875-S891 WeakPolarHBondContact CA-O 3.41Å; L875-L892 HydrophobicContact CB-CD1 4.07Å; L875-L892 HydrophobicContact CD1-CD1 4.36Å; L875-F913 HydrophobicContact CD1-CE1 4.03Å; L875-W914 HydrophobicContact CD1-CE3 4.35Å; L875-W914 HydrophobicContact CD1-CZ3 4.07Å
876R92.7Very high76.7Confident119 Ų11936 Ų3645%0.44917%0.174SC..EExtended strand (participates in β ladder)trans-142.4150.1-177.666.8176.3-177.1-175-0.6113.3Y874 I890 S891Y874-R876 HydrophobicContact CD2-CB 4.44Å; Y874-R876 HydrophobicContact CD2-CG 4.01Å; Y874-R876 HydrophobicContact CE2-CG 4Å; R876-I890 CarbonylContact O-C 3.6Å; R876-I890 WeakPolarHBondContact O-CA 3.32Å; R876-S891 WeakPolarHBondContact CG-OG 3.29Å; R876-S891 PolarHBondContact N-O 3Å; R876-S891 PolarHBondContact NE-OG 2.96Å; R876-S891 PolarHBondContact O-N 2.69Å
877Y92.2Very high76.6Confident46 Ų4633.7 Ų33.718%0.1817%0.165CC..EExtended strand (participates in β ladder)trans-69.4143162.1163-105000110.3N848 K849 R879N848-Y877 HydrophobicContact CB-CD2 3.66Å; N848-Y877 HydrophobicContact CB-CE2 4.02Å; K849-Y877 HydrophobicContact CG-CD1 3.98Å; K849-Y877 HydrophobicContact CG-CD2 4.36Å; K849-Y877 HydrophobicContact CG-CE1 4.08Å; K849-Y877 HydrophobicContact CG-CE2 4.4Å; K849-Y877 HydrophobicContact CG-CG 4.1Å; Y877-R879 HydrophobicContact CE1-CB 4.28Å
878W88.2Confident76.7Confident49 Ų4932.5 Ų32.519%0.18616%0.159CC..EExtended strand (participates in β ladder)trans-136.5149.9169.364-89000110.9I834 L836 H887 S888 G889I834-W878 HydrophobicContact CG2-CZ2 3.87Å; L836-W878 HydrophobicContact CD2-CH2 3.65Å; L836-W878 HydrophobicContact CD2-CZ2 3.5Å; W878-H887 HydrophobicContact CZ3-CB 4.46Å; W878-S888 CarbonylContact O-C 3.52Å; W878-S888 VanDerWaalsContact O-CA 3.27Å; W878-S888 WeakPolarHBondContact O-CA 3.3Å; W878-S888 WeakPolarHBondContact O-CB 3.38Å; W878-G889 VanDerWaalsContact CD1-C 3.49Å; W878-G889 PolarHBondContact N-O 3.21Å; W878-G889 PolarHBondContact O-N 3.38Å
879R83.1Confident77.1Confident53 Ų5331.3 Ų31.320%0.215%0.152CC..EExtended strand (participates in β ladder)trans-128.3141.9173.3-170.6-179.7-179.5178.3-0108.4Y877 S881 H887 E961Y877-R879 HydrophobicContact CE1-CB 4.28Å; R879-S881 PolarHBondContact O-N 2.96Å; R879-H887 CarbonylContact C-O 3.56Å; R879-H887 WeakPolarHBondContact CA-O 3.47Å; R879-E961 IonicContact CZ-OE1 2.78Å; R879-E961 IonicContact CZ-OE2 2.78Å; R879-E961 IonicContact NE-OE1 2.84Å; R879-E961 PolarHBondContact NE-OE1 3.38Å; R879-E961 IonicContact NE-OE2 2.79Å; R879-E961 IonicContact NH1-OE1 2.61Å; R879-E961 PolarHBondContact NH1-OE1 2.96Å; R879-E961 IonicContact NH1-OE2 2.7Å; R879-E961 PolarHBondContact NH1-OE2 3.4Å; R879-E961 IonicContact NH2-OE1 2.69Å; R879-E961 PolarHBondContact NH2-OE1 2.92Å; R879-E961 IonicContact NH2-OE2 2.9Å; R879-E961 PolarHBondContact NH2-OE2 3.19Å
880S73.6Confident77.6Confident23 Ų2331.3 Ų31.316%0.16115%0.152CC..  trans-61136.7175.361.50000110.1H887S880-H887 PolarHBondContact N-O 3.28Å; S880-H887 PolarHBondContact OG-N 3.5Å; S880-H887 PolarHBondContact OG-O 2.93Å
881S61.9Low78.5Confident50 Ų5031.3 Ų31.335%0.3515%0.151SC..  trans-50.8154.7-176.9-50.20000114R736 R879 G883 G884R736-S881 PolarHBondContact NH2-OG 3.02Å; R879-S881 PolarHBondContact O-N 2.96Å; S881-G883 PolarHBondContact O-N 2.59Å; S881-G884 PolarHBondContact O-N 3.09Å
882P50.8Low79.8Confident15 Ų1528.3 Ų28.310%0.09714%0.139CC..THydrogen-bonded Turntrans-53.7111.1175.5-25.133.8000111.4R802 M960 E961R802-P882 PolarHBondContact NH2-O 3.03Å; P882-M960 HydrophobicContact CB-CB 3.38Å; P882-M960 HydrophobicContact CG-CB 4.23Å; P882-E961 HydrophobicContact CB-CG 4.07Å; P882-E961 HydrophobicContact CG-CG 4.32Å
883G51.7Low80.4Confident3 Ų326.2 Ų26.23%0.03113%0.127CC..THydrogen-bonded Turntrans121.2-11.3-17000000114.9L804 I805 S881L804-G883 CarbonylContact C-O 3.47Å; L804-G883 WeakPolarHBondContact CA-O 3.39Å; L804-G883 VanDerWaalsContact CB-O 3.23Å; L804-G883 WeakPolarHBondContact CB-O 3.31Å; L804-G883 WeakPolarHBondContact CD2-O 3.35Å; I805-G883 PolarHBondContact N-O 2.98Å; S881-G883 PolarHBondContact O-N 2.59Å
884G54.4Low80.7Confident12 Ų1226 Ų2612%0.12413%0.126CC..SBendtrans-91.5178168.900000113.1S881 L886S881-G884 PolarHBondContact O-N 3.09Å; G884-L886 VanDerWaalsContact C-N 3.29Å; G884-L886 PolarHBondContact O-N 2.93Å; G884-L886 VanDerWaalsContact O-N 3.17Å
885T57.9Low80.6Confident30 Ų3024.9 Ų24.918%0.18412%0.121CC..  trans-89.347.3-175.947.30000113.6T807 H887 Q1115T807-T885 PolarHBondContact OG1-OG1 3.36Å; T885-H887 PolarHBondContact O-N 3.11Å; T885-H887 VanDerWaalsContact O-N 3.11Å; T885-H887 PolarHBondContact O-ND1 3.32Å; T885-H887 PolarHBondContact OG1-CE1 3.37Å; T885-H887 PolarHBondContact OG1-ND1 3.06Å; T885-Q1115 PolarHBondContact OG1-NE2 3.47Å; T885-Q1115 PolarHBondContact OG1-OE1 3.01Å
886L66.2Low80.3Confident42 Ų4224.5 Ų24.522%0.2212%0.119CC..  trans53.336.1173.8-62.4170.7000114.4S840 G884S840-L886 PolarHBondContact N-O 3.04Å; S840-L886 PolarHBondContact OG-O 3.08Å; G884-L886 VanDerWaalsContact C-N 3.29Å; G884-L886 PolarHBondContact O-N 2.93Å; G884-L886 VanDerWaalsContact O-N 3.17Å
887H80.7Confident80Confident27 Ų2719 Ų1913%0.12510%0.099CC..EExtended strand (participates in β ladder)trans-76.8142.5177.6-72.844.3000110.9T807 G838 W878 R879 S880 T885 Q1115T807-H887 PolarHBondContact OG1-CE1 2.95Å; T807-H887 VanDerWaalsContact OG1-CE1 3.28Å; T807-H887 PolarHBondContact OG1-NE2 2.86Å; G838-H887 WeakPolarHBondContact O-CA 3.41Å; W878-H887 HydrophobicContact CZ3-CB 4.46Å; R879-H887 CarbonylContact C-O 3.56Å; R879-H887 WeakPolarHBondContact CA-O 3.47Å; S880-H887 PolarHBondContact N-O 3.28Å; S880-H887 PolarHBondContact OG-N 3.5Å; S880-H887 PolarHBondContact OG-O 2.93Å; T885-H887 PolarHBondContact O-N 3.11Å; T885-H887 VanDerWaalsContact O-N 3.11Å; T885-H887 PolarHBondContact O-ND1 3.32Å; T885-H887 PolarHBondContact OG1-CE1 3.37Å; T885-H887 PolarHBondContact OG1-ND1 3.06Å; H887-Q1115 PolarHBondContact CE1-NE2 3.48Å
888S88.1Confident79.7Confident0 Ų017.4 Ų17.40%010%0.095CC..EExtended strand (participates in β ladder)trans-139.9171.2172.671.30000113.2L837 G838 S840 N848 W878L837-S888 VanDerWaalsContact CB-O 3.26Å; L837-S888 WeakPolarHBondContact CB-O 3.22Å; L837-S888 PolarHBondContact N-O 3.4Å; G838-S888 PolarHBondContact O-N 2.92Å; S840-S888 VanDerWaalsContact CB-OG 3.25Å; S840-S888 WeakPolarHBondContact CB-OG 3.34Å; S840-S888 VanDerWaalsContact OG-CB 3.3Å; S840-S888 WeakPolarHBondContact OG-CB 3.37Å; S840-S888 PolarHBondContact OG-N 3.04Å; S840-S888 PolarHBondContact OG-OG 3.2Å; N848-S888 PolarHBondContact ND2-OG 2.75Å; W878-S888 CarbonylContact O-C 3.52Å; W878-S888 VanDerWaalsContact O-CA 3.27Å; W878-S888 WeakPolarHBondContact O-CA 3.3Å; W878-S888 WeakPolarHBondContact O-CB 3.38Å
889G92.4Very high79.5Confident0 Ų018 Ų180%010%0.102CC..EExtended strand (participates in β ladder)trans175.9-162.1176.200000113.4H835 W878H835-G889 VanDerWaalsContact O-CA 3.23Å; H835-G889 WeakPolarHBondContact O-CA 3.33Å; W878-G889 VanDerWaalsContact CD1-C 3.49Å; W878-G889 PolarHBondContact N-O 3.21Å; W878-G889 PolarHBondContact O-N 3.38Å
890I95.2Very high79.5Confident0 Ų019.5 Ų19.50%011%0.11CC..EExtended strand (participates in β ladder)trans-127.8140.7179.8-65.1169.7000108.9H835 N848 L851 L875 R876 W914 Y992H835-I890 WeakPolarHBondContact CB-O 3.5Å; H835-I890 PolarHBondContact N-O 2.78Å; H835-I890 PolarHBondContact O-N 2.98Å; N848-I890 HydrophobicContact CB-CD1 4.44Å; N848-I890 HydrophobicContact CB-CG1 4.37Å; L851-I890 HydrophobicContact CB-CD1 3.62Å; L851-I890 HydrophobicContact CD1-CD1 3.8Å; L851-I890 HydrophobicContact CG-CD1 4.39Å; L875-I890 HydrophobicContact CD2-CG2 3.75Å; L875-I890 HydrophobicContact CG-CG2 3.9Å; R876-I890 CarbonylContact O-C 3.6Å; R876-I890 WeakPolarHBondContact O-CA 3.32Å; I890-W914 HydrophobicContact CB-CH2 3.9Å; I890-W914 HydrophobicContact CB-CZ3 4.36Å; I890-W914 HydrophobicContact CD1-CH2 3.86Å; I890-W914 HydrophobicContact CG1-CH2 4.47Å; I890-W914 HydrophobicContact CG2-CH2 3.75Å; I890-W914 HydrophobicContact CG2-CZ3 3.69Å; I890-Y992 HydrophobicContact CD1-CE2 4.23Å
891S94.4Very high80.2Confident2 Ų219.9 Ų19.91%0.01411%0.108CC..EExtended strand (participates in β ladder)trans-119.5130.8174.262.70000110.4R833 I834 L875 R876R833-S891 WeakPolarHBondContact O-CA 3.49Å; I834-S891 VanDerWaalsContact CD1-CB 3.4Å; L875-S891 VanDerWaalsContact CA-O 3.32Å; L875-S891 WeakPolarHBondContact CA-O 3.41Å; R876-S891 WeakPolarHBondContact CG-OG 3.29Å; R876-S891 PolarHBondContact N-O 3Å; R876-S891 PolarHBondContact NE-OG 2.96Å; R876-S891 PolarHBondContact O-N 2.69Å
892L95.9Very high81.5Confident0 Ų020.7 Ų20.70%011%0.114CC..EExtended strand (participates in β ladder)trans-110120.2169.7176.163.2000108.7R833 A859 L863 L875 L910 F913R833-L892 PolarHBondContact N-O 2.77Å; R833-L892 PolarHBondContact O-N 2.81Å; A859-L892 HydrophobicContact CB-CD1 4.3Å; L863-L892 HydrophobicContact CD1-CD1 3.98Å; L875-L892 HydrophobicContact CB-CD1 4.07Å; L875-L892 HydrophobicContact CD1-CD1 4.36Å; L892-L910 HydrophobicContact CD1-CD2 4.43Å; L892-L910 HydrophobicContact CD2-CB 4.02Å; L892-L910 HydrophobicContact CD2-CD2 4Å; L892-L910 HydrophobicContact CG-CD2 4Å; L892-F913 HydrophobicContact CD2-CD1 4.01Å
893V95.1Very high83.5Confident4 Ų420.1 Ų20.12%0.02411%0.11CC..EExtended strand (participates in β ladder)trans-129.2137.4-171.5-175.40000110.6L831 A832 V873 Y874 Y895L831-V893 VanDerWaalsContact O-CA 3.28Å; L831-V893 WeakPolarHBondContact O-CA 3.47Å; L831-V893 WeakPolarHBondContact O-CG1 3.36Å; A832-V893 HydrophobicContact CB-CG1 4.39Å; A832-V893 HydrophobicContact CB-CG2 3.85Å; V873-V893 WeakPolarHBondContact CA-O 3.47Å; Y874-V893 HydrophobicContact CD1-CB 4.3Å; Y874-V893 HydrophobicContact CD2-CB 4.29Å; Y874-V893 HydrophobicContact CD2-CG2 4.4Å; Y874-V893 HydrophobicContact CE1-CB 3.81Å; Y874-V893 HydrophobicContact CE1-CG1 3.9Å; Y874-V893 HydrophobicContact CE1-CG2 4.42Å; Y874-V893 HydrophobicContact CE2-CB 3.79Å; Y874-V893 HydrophobicContact CE2-CG2 3.61Å; Y874-V893 PolarHBondContact N-O 2.98Å; Y874-V893 PolarHBondContact O-N 2.91Å; V893-Y895 HydrophobicContact CG1-CE2 4.24Å
894A93.7Very high85.4Confident0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-134.3137.6171.800000111.8L831 V873 V906 L910L831-A894 PolarHBondContact N-O 2.84Å; L831-A894 PolarHBondContact O-N 3.1Å; V873-A894 HydrophobicContact CG2-CB 4.03Å; A894-V906 HydrophobicContact CB-CG1 4.2Å; A894-L910 HydrophobicContact CB-CD1 4.2Å; A894-L910 HydrophobicContact CB-CD2 3.95Å
895Y89.7Confident87.2Confident39 Ų3923.5 Ų23.515%0.15312%0.12CC..EExtended strand (participates in β ladder)trans-105.5119.5166.9-58.2-78.2000109N724 M829 C830 G870 T872 Y874 V893N724-Y895 HydrophobicContact CB-CE1 3.42Å; N724-Y895 VanDerWaalsContact CB-CE1 3.42Å; N724-Y895 WeakPolarHBondContact CB-OH 3.44Å; M829-Y895 VanDerWaalsContact O-CA 3.31Å; M829-Y895 WeakPolarHBondContact O-CA 3.42Å; C830-Y895 HydrophobicContact CB-CD1 3.77Å; C830-Y895 HydrophobicContact CB-CE1 3.7Å; C830-Y895 WeakPolarHBondContact SG-CE1 3.46Å; G870-Y895 WeakPolarHBondContact CA-O 3.48Å; T872-Y895 HydrophobicContact CG2-CD2 3.33Å; T872-Y895 HydrophobicContact CG2-CE2 3.43Å; T872-Y895 VanDerWaalsContact CG2-CE2 3.43Å; T872-Y895 WeakPolarHBondContact O-CD2 3.39Å; T872-Y895 PolarHBondContact O-N 2.62Å; Y874-Y895 HydrophobicContact CE1-CE2 4.04Å; V893-Y895 HydrophobicContact CG1-CE2 4.24Å
896S88.7Confident88.9Confident0 Ų022 Ų220%011%0.111CC..EExtended strand (participates in β ladder)trans-131.6136-172.4173.50000110.5M829 L869 A898 V906M829-S896 WeakPolarHBondContact CB-O 3.49Å; M829-S896 WeakPolarHBondContact CE-O 3.48Å; M829-S896 PolarHBondContact N-O 3.44Å; M829-S896 PolarHBondContact O-N 3.07Å; M829-S896 VanDerWaalsContact O-N 3.16Å; L869-S896 VanDerWaalsContact O-CA 3.29Å; L869-S896 WeakPolarHBondContact O-CA 3.31Å; L869-S896 WeakPolarHBondContact O-CB 3.46Å; L869-S896 PolarHBondContact O-OG 3.4Å; S896-A898 PolarHBondContact O-N 3.35Å; S896-V906 WeakPolarHBondContact OG-CG2 3.44Å
897P85.5Confident90.2Very high4 Ų420 Ų203%0.02610%0.101CC..EExtended strand (participates in β ladder)trans-71.7125.6173.628.2-31.7000110.4V827 N899 K900 Y901V827-P897 CarbonylContact O-C 3.52Å; V827-P897 WeakPolarHBondContact O-CA 3.45Å; P897-N899 PolarHBondContact O-N 3.25Å; P897-K900 HydrophobicContact CG-CB 4.13Å; P897-K900 PolarHBondContact O-N 2.75Å; P897-K900 VanDerWaalsContact O-N 3.15Å; P897-Y901 PolarHBondContact O-N 3.24Å
898A87.5Confident90.7Very high13 Ų1318.8 Ų18.811%0.10710%0.095CC..THydrogen-bonded Turntrans-65.8-19.1177.600000113.2V827 M829 S896 K900 Y901 V1007 A1009V827-A898 PolarHBondContact O-N 3.4Å; M829-A898 HydrophobicContact CE-CB 4.28Å; M829-A898 HydrophobicContact CG-CB 3.94Å; M829-A898 HydrophobicContact SD-CB 3.85Å; S896-A898 PolarHBondContact O-N 3.35Å; A898-K900 PolarHBondContact O-N 3.14Å; A898-Y901 WeakPolarHBondContact CA-O 3.35Å; A898-V1007 HydrophobicContact CB-CG2 3.31Å; A898-A1009 HydrophobicContact CB-CB 4.09Å; A898-A1009 WeakPolarHBondContact O-CB 3.28Å
899N82.9Confident91Very high61 Ų6119.9 Ų19.933%0.32610%0.099SC..THydrogen-bonded Turntrans-67.6-22.7175.5-63.3-13.9000112.5P897 N1010P897-N899 PolarHBondContact O-N 3.25Å; N899-N1010 PolarHBondContact OD1-N 3.24Å; N899-N1010 PolarHBondContact OD1-OD1 2.95Å
900K83Confident91.1Very high85 Ų8519.9 Ų19.937%0.3710%0.099SC..THydrogen-bonded Turntrans-108.4-41.8-176.5-169.6177172.3-158.30112.8T868 P897 A898T868-K900 PolarHBondContact O-NZ 2.9Å; T868-K900 VanDerWaalsContact O-NZ 3.11Å; T868-K900 PolarHBondContact OG1-NZ 3.17Å; P897-K900 HydrophobicContact CG-CB 4.13Å; P897-K900 PolarHBondContact O-N 2.75Å; P897-K900 VanDerWaalsContact O-N 3.15Å; A898-K900 PolarHBondContact O-N 3.14Å
901Y87.9Confident90.9Very high31 Ų3120 Ų2012%0.12210%0.1CC..SBendtrans-126.4144.6-177.5-58.5-76.2000111.3M829 E867 T868 L869 P897 A898 Y905 V906M829-Y901 VanDerWaalsContact CE-O 3.28Å; M829-Y901 WeakPolarHBondContact CE-O 3.39Å; E867-Y901 PolarHBondContact O-OH 3.44Å; T868-Y901 WeakPolarHBondContact O-CE2 3.4Å; T868-Y901 PolarHBondContact O-OH 3.23Å; T868-Y901 PolarHBondContact OG1-OH 2.85Å; L869-Y901 HydrophobicContact CD2-CD1 4.41Å; L869-Y901 HydrophobicContact CD2-CE1 4.22Å; L869-Y901 HydrophobicContact CD2-CE2 4.44Å; P897-Y901 PolarHBondContact O-N 3.24Å; A898-Y901 WeakPolarHBondContact CA-O 3.35Å; Y901-Y905 AromaticContact CD1-CD1 3.42Å; Y901-Y905 HydrophobicContact CD1-CD1 3.42Å; Y901-Y905 VanDerWaalsContact CD1-CD1 3.42Å; Y901-Y905 AromaticContact CD1-CE1 3.33Å; Y901-Y905 HydrophobicContact CD1-CE1 3.33Å; Y901-Y905 HydrophobicContact CD1-CG 4.42Å; Y901-Y905 HydrophobicContact CE1-CD1 4.14Å; Y901-Y905 AromaticContact CE1-CE1 3.56Å; Y901-Y905 HydrophobicContact CE1-CE1 3.56Å; Y901-Y905 HydrophobicContact CG-CD1 4.08Å; Y901-Y905 HydrophobicContact CG-CE1 4.3Å; Y901-V906 HydrophobicContact CG-CG2 4.36Å
902S90.4Very high90.8Very high66 Ų6620 Ų2046%0.46210%0.1SC..  trans-73.6149.5164.667.90000110.2D904 Y905 V906S902-D904 PolarHBondContact O-N 3.1Å; S902-Y905 WeakPolarHBondContact O-CB 3.33Å; S902-Y905 PolarHBondContact O-N 2.92Å; S902-Y905 VanDerWaalsContact O-N 3.1Å; S902-Y905 WeakPolarHBondContact OG-CB 3.28Å; S902-Y905 PolarHBondContact OG-N 3.12Å; S902-V906 PolarHBondContact O-N 2.92Å
903I91.6Very high90.7Very high4 Ų420 Ų202%0.02110%0.1CC..Hα-helixtrans-59.7-35.9176.6-162.8168.4000112.3M829 L831 Y905 V906 A907 Q1004 D1006M829-I903 HydrophobicContact SD-CB 3.55Å; M829-I903 VanDerWaalsContact SD-CB 3.55Å; M829-I903 HydrophobicContact SD-CD1 4.4Å; M829-I903 HydrophobicContact SD-CG1 4.03Å; L831-I903 HydrophobicContact CD1-CG1 4.06Å; L831-I903 HydrophobicContact CD2-CG1 3.72Å; L831-I903 HydrophobicContact CG-CD1 4.45Å; L831-I903 HydrophobicContact CG-CG1 3.97Å; I903-Y905 VanDerWaalsContact C-N 3.3Å; I903-Y905 PolarHBondContact O-N 3.42Å; I903-V906 PolarHBondContact O-N 2.53Å; I903-A907 VanDerWaalsContact O-CB 3.27Å; I903-A907 WeakPolarHBondContact O-CB 3.41Å; I903-A907 PolarHBondContact O-N 3.12Å; I903-Q1004 HydrophobicContact CD1-CB 3.86Å; I903-D1006 HydrophobicContact CD1-CB 3.68Å
904D91.9Very high90.7Very high21 Ų2119.8 Ų19.811%0.11210%0.099CC..Hα-helixtrans-64.5-37177.7-49.6-37.8000111R818 S902 G908 N1038 E1039R818-D904 IonicContact CZ-OD1 3.73Å; R818-D904 IonicContact NH1-OD1 2.71Å; R818-D904 PolarHBondContact NH1-OD1 2.81Å; S902-D904 PolarHBondContact O-N 3.1Å; D904-G908 PolarHBondContact O-N 2.99Å; D904-N1038 HydrophobicContact CB-CB 3.64Å; D904-N1038 PolarHBondContact OD2-ND2 2.82Å; D904-E1039 WeakPolarHBondContact O-CA 3.23Å
905Y92.8Very high90.5Very high64 Ų6421.3 Ų21.325%0.25110%0.104SC..Hα-helixtrans-63.2-52.3175.8177-93.7000110.6E867 L869 Y901 S902 I903 A907 G908 R909 S1042E867-Y905 PolarHBondContact OE2-OH 3.43Å; L869-Y905 HydrophobicContact CD2-CD1 4.18Å; L869-Y905 HydrophobicContact CD2-CE1 3.65Å; Y901-Y905 AromaticContact CD1-CD1 3.42Å; Y901-Y905 HydrophobicContact CD1-CD1 3.42Å; Y901-Y905 VanDerWaalsContact CD1-CD1 3.42Å; Y901-Y905 AromaticContact CD1-CE1 3.33Å; Y901-Y905 HydrophobicContact CD1-CE1 3.33Å; Y901-Y905 HydrophobicContact CD1-CG 4.42Å; Y901-Y905 HydrophobicContact CE1-CD1 4.14Å; Y901-Y905 AromaticContact CE1-CE1 3.56Å; Y901-Y905 HydrophobicContact CE1-CE1 3.56Å; Y901-Y905 HydrophobicContact CG-CD1 4.08Å; Y901-Y905 HydrophobicContact CG-CE1 4.3Å; S902-Y905 WeakPolarHBondContact O-CB 3.33Å; S902-Y905 PolarHBondContact O-N 2.92Å; S902-Y905 VanDerWaalsContact O-N 3.1Å; S902-Y905 WeakPolarHBondContact OG-CB 3.28Å; S902-Y905 PolarHBondContact OG-N 3.12Å; I903-Y905 VanDerWaalsContact C-N 3.3Å; I903-Y905 PolarHBondContact O-N 3.42Å; Y905-A907 VanDerWaalsContact C-N 3.34Å; Y905-A907 PolarHBondContact O-N 2.98Å; Y905-G908 PolarHBondContact O-N 3.42Å; Y905-G908 VanDerWaalsContact O-N 3.16Å; Y905-R909 HydrophobicContact CD1-CG 4.29Å; Y905-R909 HydrophobicContact CE1-CG 3.97Å; Y905-R909 VanDerWaalsContact CZ-NE 3.3Å; Y905-R909 WeakPolarHBondContact O-CG 3.36Å; Y905-R909 PolarHBondContact O-N 2.65Å; Y905-R909 VanDerWaalsContact O-N 3.08Å; Y905-R909 PolarHBondContact OH-NE 3.07Å; Y905-R909 PolarHBondContact OH-NH2 3.14Å; Y905-S1042 PolarHBondContact O-OG 3.22Å
906V93.2Very high90.5Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-61.2-44.2179.8-176.90000110.7M829 L831 L869 A894 S896 Y901 S902 I903 G908 R909 L910M829-V906 HydrophobicContact CE-CG2 4.23Å; L831-V906 HydrophobicContact CD1-CB 4.25Å; L831-V906 HydrophobicContact CD1-CG1 3.88Å; L831-V906 HydrophobicContact CD2-CB 4.06Å; L831-V906 HydrophobicContact CD2-CG1 4.03Å; L831-V906 HydrophobicContact CG-CG1 4.48Å; L869-V906 HydrophobicContact CD1-CG1 4.39Å; A894-V906 HydrophobicContact CB-CG1 4.2Å; S896-V906 WeakPolarHBondContact OG-CG2 3.44Å; Y901-V906 HydrophobicContact CG-CG2 4.36Å; S902-V906 PolarHBondContact O-N 2.92Å; I903-V906 PolarHBondContact O-N 2.53Å; V906-G908 VanDerWaalsContact C-N 3.26Å; V906-G908 PolarHBondContact O-N 3.19Å; V906-R909 PolarHBondContact O-N 3.34Å; V906-R909 VanDerWaalsContact O-N 3.13Å; V906-L910 WeakPolarHBondContact O-CG 3.46Å; V906-L910 PolarHBondContact O-N 3.09Å
907A93.1Very high90.6Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-56.3-43.3176.900000111.5L831 I903 Y905 R909 L910 T911 F1002 E1039L831-A907 HydrophobicContact CD2-CB 3.81Å; I903-A907 VanDerWaalsContact O-CB 3.27Å; I903-A907 WeakPolarHBondContact O-CB 3.41Å; I903-A907 PolarHBondContact O-N 3.12Å; Y905-A907 VanDerWaalsContact C-N 3.34Å; Y905-A907 PolarHBondContact O-N 2.98Å; A907-R909 PolarHBondContact O-N 3.15Å; A907-L910 PolarHBondContact O-N 2.71Å; A907-T911 WeakPolarHBondContact O-CB 3.47Å; A907-T911 PolarHBondContact O-N 3.15Å; A907-T911 PolarHBondContact O-OG1 3.13Å; A907-F1002 HydrophobicContact CB-CE1 3.9Å; A907-F1002 HydrophobicContact CB-CZ 3.71Å; A907-E1039 HydrophobicContact CB-CG 3.98Å
908G92.2Very high91Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-66.2-37.4178.400000113.1D904 Y905 V906 T911 A912 I1043D904-G908 PolarHBondContact O-N 2.99Å; Y905-G908 PolarHBondContact O-N 3.42Å; Y905-G908 VanDerWaalsContact O-N 3.16Å; V906-G908 VanDerWaalsContact C-N 3.26Å; V906-G908 PolarHBondContact O-N 3.19Å; G908-T911 PolarHBondContact O-N 2.89Å; G908-A912 VanDerWaalsContact O-CB 3.28Å; G908-A912 WeakPolarHBondContact O-CB 3.45Å; G908-A912 PolarHBondContact O-N 3.48Å; G908-I1043 VanDerWaalsContact O-CG1 3.31Å; G908-I1043 WeakPolarHBondContact O-CG1 3.49Å
909R93.6Very high91.3Very high23 Ų2320.2 Ų20.29%0.08710%0.096CC..Hα-helixtrans-65-42.6174.6-60.5-53.9173151.1-15.9112.1L863 E867 L869 Y905 V906 A907 A912 F913 S1042 S1045L863-R909 HydrophobicContact CD2-CB 4.15Å; E867-R909 IonicContact OE1-CZ 3.51Å; E867-R909 IonicContact OE1-NE 2.6Å; E867-R909 IonicContact OE1-NH1 3.38Å; E867-R909 PolarHBondContact OE1-NH1 2.84Å; E867-R909 IonicContact OE2-CZ 3.49Å; E867-R909 IonicContact OE2-NE 2.77Å; E867-R909 IonicContact OE2-NH1 2.75Å; E867-R909 PolarHBondContact OE2-NH1 2.88Å; L869-R909 HydrophobicContact CD1-CB 3.7Å; L869-R909 HydrophobicContact CD1-CG 4.16Å; L869-R909 HydrophobicContact CD2-CG 4.19Å; Y905-R909 HydrophobicContact CD1-CG 4.29Å; Y905-R909 HydrophobicContact CE1-CG 3.97Å; Y905-R909 VanDerWaalsContact CZ-NE 3.3Å; Y905-R909 WeakPolarHBondContact O-CG 3.36Å; Y905-R909 PolarHBondContact O-N 2.65Å; Y905-R909 VanDerWaalsContact O-N 3.08Å; Y905-R909 PolarHBondContact OH-NE 3.07Å; Y905-R909 PolarHBondContact OH-NH2 3.14Å; V906-R909 PolarHBondContact O-N 3.34Å; V906-R909 VanDerWaalsContact O-N 3.13Å; A907-R909 PolarHBondContact O-N 3.15Å; R909-A912 PolarHBondContact O-N 3.06Å; R909-F913 WeakPolarHBondContact O-CB 3.38Å; R909-F913 PolarHBondContact O-N 3.47Å; R909-S1042 PolarHBondContact NE-OG 2.75Å; R909-S1045 PolarHBondContact NH2-OG 3.35Å
910L94Very high91.8Very high0 Ų017.4 Ų17.40%08%0.081CC..Hα-helixtrans-62.6-45.5174.4-61.9-172.3000111.8L831 L863 L892 A894 V906 A907 F913 W914 F1002L831-L910 HydrophobicContact CB-CD1 3.85Å; L863-L910 HydrophobicContact CD1-CD2 3.73Å; L863-L910 HydrophobicContact CD2-CD2 4.47Å; L892-L910 HydrophobicContact CD1-CD2 4.43Å; L892-L910 HydrophobicContact CD2-CB 4.02Å; L892-L910 HydrophobicContact CD2-CD2 4Å; L892-L910 HydrophobicContact CG-CD2 4Å; A894-L910 HydrophobicContact CB-CD1 4.2Å; A894-L910 HydrophobicContact CB-CD2 3.95Å; V906-L910 WeakPolarHBondContact O-CG 3.46Å; V906-L910 PolarHBondContact O-N 3.09Å; A907-L910 PolarHBondContact O-N 2.71Å; L910-F913 PolarHBondContact O-N 2.75Å; L910-W914 PolarHBondContact O-N 2.83Å; L910-W914 VanDerWaalsContact O-N 3.08Å; L910-F1002 HydrophobicContact CD1-CE2 4.46Å; L910-F1002 HydrophobicContact CD1-CZ 4.46Å
911T92.4Very high92.3Very high4 Ų413.4 Ų13.43%0.0256%0.064CC..Hα-helixtrans-60.9-45.9177.9-630000111.5R833 A907 G908 W914 R915 E1039 I1043R833-T911 VanDerWaalsContact NH1-CG2 3.35Å; R833-T911 PolarHBondContact NH1-OG1 2.77Å; A907-T911 WeakPolarHBondContact O-CB 3.47Å; A907-T911 PolarHBondContact O-N 3.15Å; A907-T911 PolarHBondContact O-OG1 3.13Å; G908-T911 PolarHBondContact O-N 2.89Å; T911-W914 PolarHBondContact O-N 3.47Å; T911-R915 HydrophobicContact CG2-CG 4.4Å; T911-R915 WeakPolarHBondContact O-CB 3.37Å; T911-R915 VanDerWaalsContact O-CG 3.31Å; T911-R915 WeakPolarHBondContact O-CG 3.47Å; T911-R915 PolarHBondContact O-N 3.46Å; T911-E1039 PolarHBondContact OG1-OE1 2.93Å; T911-I1043 HydrophobicContact CG2-CD1 3.5Å; T911-I1043 HydrophobicContact CG2-CG1 4.09Å
912A91.9Very high92.5Very high1 Ų112 Ų121%0.0086%0.058CC..Hα-helixtrans-69.6-39.1-179.700000112.6G908 R909 W914 R916 I917 I1043 I1046G908-A912 VanDerWaalsContact O-CB 3.28Å; G908-A912 WeakPolarHBondContact O-CB 3.45Å; G908-A912 PolarHBondContact O-N 3.48Å; R909-A912 PolarHBondContact O-N 3.06Å; A912-W914 PolarHBondContact O-N 3.07Å; A912-R916 WeakPolarHBondContact O-CA 3.36Å; A912-R916 WeakPolarHBondContact O-CB 3.34Å; A912-R916 PolarHBondContact O-N 2.99Å; A912-I917 PolarHBondContact O-N 3.19Å; A912-I1043 HydrophobicContact CB-CG2 4.3Å; A912-I1046 HydrophobicContact CB-CD1 3.11Å; A912-I1046 HydrophobicContact CB-CG1 4.48Å
913F93.9Very high92.6Very high0 Ų09 Ų90%04%0.038CC..Iπ-helixtrans-56.8-52.3172.9-179.2-90.7000110.9P858 A859 Y862 L863 L875 L892 R909 L910 I917 A918 I921P858-F913 HydrophobicContact CB-CZ 4.48Å; A859-F913 HydrophobicContact CB-CD1 4.33Å; A859-F913 HydrophobicContact CB-CE1 3.54Å; A859-F913 HydrophobicContact CB-CE2 4.17Å; A859-F913 HydrophobicContact CB-CZ 3.45Å; A859-F913 VanDerWaalsContact CB-CZ 3.45Å; Y862-F913 AromaticContact CD1-CD2 3.79Å; Y862-F913 HydrophobicContact CD1-CD2 3.79Å; Y862-F913 HydrophobicContact CG-CD2 4.38Å; L863-F913 HydrophobicContact CD1-CB 4.34Å; L863-F913 HydrophobicContact CD1-CD1 4.49Å; L863-F913 HydrophobicContact CD1-CG 4.19Å; L863-F913 HydrophobicContact CD2-CB 4.24Å; L863-F913 HydrophobicContact CG-CD2 4.48Å; L875-F913 HydrophobicContact CD1-CE1 4.03Å; L892-F913 HydrophobicContact CD2-CD1 4.01Å; R909-F913 WeakPolarHBondContact O-CB 3.38Å; R909-F913 PolarHBondContact O-N 3.47Å; L910-F913 PolarHBondContact O-N 2.75Å; F913-I917 HydrophobicContact CD2-CB 4.24Å; F913-I917 HydrophobicContact CD2-CD1 4.29Å; F913-I917 HydrophobicContact CD2-CG2 4.24Å; F913-I917 HydrophobicContact CE2-CG2 4.31Å; F913-I917 PolarHBondContact O-N 3.41Å; F913-A918 HydrophobicContact CE1-CB 4.44Å; F913-A918 WeakPolarHBondContact O-CB 3.32Å; F913-A918 PolarHBondContact O-N 2.92Å; F913-I921 HydrophobicContact CE2-CD1 4.26Å; F913-I921 HydrophobicContact CZ-CD1 4.4Å
914W94.1Very high92.6Very high0 Ų09.4 Ų9.40%04%0.042CC..Iπ-helixtrans-64.2-44.9-178.6-175.2-98.8000113.2H835 L855 L875 I890 L910 T911 A912 P919 F988 Y992H835-W914 HydrophobicContact CB-CZ2 4.2Å; H835-W914 AromaticContact CD2-CD2 3.82Å; H835-W914 AromaticContact CD2-CE2 3.58Å; H835-W914 AromaticContact CD2-CZ2 3.69Å; H835-W914 AromaticContact CE1-CD1 3.18Å; H835-W914 AromaticContact CE1-CD2 3.68Å; H835-W914 AromaticContact CE1-CE2 3.37Å; H835-W914 AromaticContact CE1-CG 3.54Å; H835-W914 AromaticContact CE1-NE1 3.06Å; H835-W914 PolarHBondContact CE1-NE1 2.84Å; H835-W914 AromaticContact CG-CE2 3.71Å; H835-W914 AromaticContact CG-CZ2 3.65Å; H835-W914 AromaticContact CG-NE1 3.96Å; H835-W914 AromaticContact ND1-CD1 3.93Å; H835-W914 AromaticContact ND1-CE2 3.58Å; H835-W914 AromaticContact ND1-CZ2 3.94Å; H835-W914 AromaticContact ND1-NE1 3.34Å; H835-W914 PolarHBondContact ND1-NE1 2.99Å; H835-W914 AromaticContact NE2-CD1 3.62Å; H835-W914 AromaticContact NE2-CD2 3.35Å; H835-W914 VanDerWaalsContact NE2-CD2 3.35Å; H835-W914 AromaticContact NE2-CE2 3.4Å; H835-W914 AromaticContact NE2-CE3 3.98Å; H835-W914 AromaticContact NE2-CG 3.48Å; H835-W914 AromaticContact NE2-NE1 3.58Å; L855-W914 HydrophobicContact CD1-CZ3 4.47Å; L875-W914 HydrophobicContact CD1-CE3 4.35Å; L875-W914 HydrophobicContact CD1-CZ3 4.07Å; I890-W914 HydrophobicContact CB-CH2 3.9Å; I890-W914 HydrophobicContact CB-CZ3 4.36Å; I890-W914 HydrophobicContact CD1-CH2 3.86Å; I890-W914 HydrophobicContact CG1-CH2 4.47Å; I890-W914 HydrophobicContact CG2-CH2 3.75Å; I890-W914 HydrophobicContact CG2-CZ3 3.69Å; L910-W914 PolarHBondContact O-N 2.83Å; L910-W914 VanDerWaalsContact O-N 3.08Å; T911-W914 PolarHBondContact O-N 3.47Å; A912-W914 PolarHBondContact O-N 3.07Å; W914-P919 WeakPolarHBondContact O-CD 3.46Å; W914-F988 HydrophobicContact CD2-CE2 4.33Å; W914-F988 HydrophobicContact CD2-CZ 4.04Å; W914-F988 AromaticContact CE2-CE2 3.89Å; W914-F988 AromaticContact CE2-CZ 3.7Å; W914-F988 HydrophobicContact CE3-CE2 4.34Å; W914-F988 HydrophobicContact CE3-CZ 4.39Å; W914-F988 HydrophobicContact CH2-CD2 4.46Å; W914-F988 AromaticContact CH2-CE2 3.58Å; W914-F988 HydrophobicContact CH2-CE2 3.58Å; W914-F988 HydrophobicContact CH2-CZ 4.23Å; W914-F988 HydrophobicContact CZ2-CD2 4.42Å; W914-F988 AromaticContact CZ2-CE2 3.53Å; W914-F988 HydrophobicContact CZ2-CE2 3.53Å; W914-F988 AromaticContact CZ2-CZ 3.84Å; W914-F988 HydrophobicContact CZ2-CZ 3.84Å; W914-F988 AromaticContact CZ3-CE2 3.98Å; W914-F988 HydrophobicContact CZ3-CE2 3.98Å; W914-F988 HydrophobicContact CZ3-CZ 4.47Å; W914-F988 AromaticContact NE1-CZ 3.98Å; W914-F988 WeakPolarHBondContact O-CZ 3.01Å; W914-Y992 HydrophobicContact CH2-CD2 4.46Å; W914-Y992 HydrophobicContact CZ2-CD1 4.15Å; W914-Y992 AromaticContact CZ2-CD2 3.91Å; W914-Y992 HydrophobicContact CZ2-CD2 3.91Å; W914-Y992 HydrophobicContact CZ2-CE2 4.46Å; W914-Y992 AromaticContact CZ2-CG 3.73Å; W914-Y992 HydrophobicContact CZ2-CG 3.73Å
915R90.2Very high92.6Very high31 Ų318.9 Ų8.912%0.1174%0.039CC..Iπ-helixtrans-91.7-31.3-169-57.6-176.874.8-168.70.2114.4T911 P919 L993 L1086 E1095T911-R915 HydrophobicContact CG2-CG 4.4Å; T911-R915 WeakPolarHBondContact O-CB 3.37Å; T911-R915 VanDerWaalsContact O-CG 3.31Å; T911-R915 WeakPolarHBondContact O-CG 3.47Å; T911-R915 PolarHBondContact O-N 3.46Å; R915-P919 WeakPolarHBondContact O-CG 3.45Å; R915-L993 HydrophobicContact CB-CD2 4.15Å; R915-L993 HydrophobicContact CG-CD2 3.96Å; R915-L1086 HydrophobicContact CB-CD1 3.71Å; R915-E1095 IonicContact CZ-OE1 3.11Å; R915-E1095 IonicContact CZ-OE2 3.92Å; R915-E1095 IonicContact NH1-OE1 3.36Å; R915-E1095 PolarHBondContact NH1-OE1 2.99Å; R915-E1095 IonicContact NH1-OE2 3.42Å; R915-E1095 PolarHBondContact NH1-OE2 3.13Å; R915-E1095 IonicContact NH2-OE1 3.8Å; R915-E1095 PolarHBondContact NH2-OE1 2.9Å; R915-E1095 IonicContact NH2-OE2 2.66Å
916R89.3Confident92.5Very high33 Ų339.2 Ų9.213%0.1255%0.049CC..Iπ-helixtrans-107.7-41.6-173.6-64.2-179.4171.6176.3-0.2112.5A912 R920 I1043 N1044 I1048 L1086A912-R916 WeakPolarHBondContact O-CA 3.36Å; A912-R916 WeakPolarHBondContact O-CB 3.34Å; A912-R916 PolarHBondContact O-N 2.99Å; R916-R920 WeakPolarHBondContact O-CD 3.19Å; R916-R920 WeakPolarHBondContact O-CG 3.5Å; R916-R920 PolarHBondContact O-NH1 2.78Å; R916-I1043 PolarHBondContact NH1-O 2.91Å; R916-I1043 VanDerWaalsContact NH1-O 3.1Å; R916-N1044 PolarHBondContact NH1-OD1 2.69Å; R916-N1044 PolarHBondContact NH2-OD1 3.13Å; R916-I1048 HydrophobicContact CB-CD1 4.23Å; R916-I1048 HydrophobicContact CG-CD1 4.49Å; R916-L1086 HydrophobicContact CG-CD1 3.55Å
917I92.4Very high92.3Very high0 Ų013.4 Ų13.40%08%0.078CC..Iπ-helixtrans-88.8-53.4-172.5-55173.8000111.3Y862 A912 F913 R920 I921 I1046 A1051 L1052Y862-I917 HydrophobicContact CD1-CD1 4.07Å; Y862-I917 HydrophobicContact CE1-CD1 3.54Å; Y862-I917 HydrophobicContact CE2-CD1 4.24Å; A912-I917 PolarHBondContact O-N 3.19Å; F913-I917 HydrophobicContact CD2-CB 4.24Å; F913-I917 HydrophobicContact CD2-CD1 4.29Å; F913-I917 HydrophobicContact CD2-CG2 4.24Å; F913-I917 HydrophobicContact CE2-CG2 4.31Å; F913-I917 PolarHBondContact O-N 3.41Å; I917-R920 CarbonylContact O-C 3.09Å; I917-R920 WeakPolarHBondContact O-CA 3.09Å; I917-R920 WeakPolarHBondContact O-CB 3.41Å; I917-R920 PolarHBondContact O-N 2.78Å; I917-I921 HydrophobicContact CG2-CD1 3.71Å; I917-I921 HydrophobicContact CG2-CG1 4.06Å; I917-I921 PolarHBondContact O-N 3.27Å; I917-I1046 HydrophobicContact CD1-CG2 4.46Å; I917-A1051 HydrophobicContact CD1-CB 3.67Å; I917-A1051 HydrophobicContact CG1-CB 4.21Å; I917-L1052 HydrophobicContact CG2-CD2 4.1Å
918A93.6Very high92.1Very high0 Ų019.2 Ų19.20%011%0.105CC..Hα-helixtrans-52.4-48.4-17700000115.2L855 F913 R920 I921 I922 F988L855-A918 HydrophobicContact CD1-CB 3.99Å; L855-A918 HydrophobicContact CD2-CB 3.87Å; F913-A918 HydrophobicContact CE1-CB 4.44Å; F913-A918 WeakPolarHBondContact O-CB 3.32Å; F913-A918 PolarHBondContact O-N 2.92Å; A918-R920 VanDerWaalsContact C-N 3.28Å; A918-R920 PolarHBondContact O-N 3.48Å; A918-I921 WeakPolarHBondContact O-CB 3.28Å; A918-I921 PolarHBondContact O-N 3.38Å; A918-I922 WeakPolarHBondContact O-CG1 3.38Å; A918-I922 PolarHBondContact O-N 3.03Å; A918-I922 VanDerWaalsContact O-N 3.11Å; A918-F988 HydrophobicContact CB-CE2 4.43Å; A918-F988 HydrophobicContact CB-CZ 4.05Å
919P93.3Very high91.9Very high0 Ų020.8 Ų20.80%012%0.115CC..Hα-helixtrans-64.2-33.3176.723.9-33.6000112.6W914 R915 I922 A923 L985 F988 L989 L993W914-P919 WeakPolarHBondContact O-CD 3.46Å; R915-P919 WeakPolarHBondContact O-CG 3.45Å; P919-I922 PolarHBondContact O-N 2.98Å; P919-A923 WeakPolarHBondContact O-CB 3.48Å; P919-A923 PolarHBondContact O-N 2.88Å; P919-L985 HydrophobicContact CB-CD1 4.21Å; P919-F988 HydrophobicContact CB-CD1 4.07Å; P919-F988 HydrophobicContact CB-CE1 3.99Å; P919-F988 HydrophobicContact CG-CE1 4.12Å; P919-L989 HydrophobicContact CB-CD2 4.19Å; P919-L993 HydrophobicContact CG-CD1 4.31Å
920R93Very high91.8Very high3 Ų320.5 Ų20.51%0.01111%0.114CC..Hα-helixtrans-72.7-33.3176.8-71.4178.8176.667.7-0.2111.9R916 I917 A918 A923 A924 L1052 A1062 M1066 E1087R916-R920 WeakPolarHBondContact O-CD 3.19Å; R916-R920 WeakPolarHBondContact O-CG 3.5Å; R916-R920 PolarHBondContact O-NH1 2.78Å; I917-R920 CarbonylContact O-C 3.09Å; I917-R920 WeakPolarHBondContact O-CA 3.09Å; I917-R920 WeakPolarHBondContact O-CB 3.41Å; I917-R920 PolarHBondContact O-N 2.78Å; A918-R920 VanDerWaalsContact C-N 3.28Å; A918-R920 PolarHBondContact O-N 3.48Å; R920-A923 PolarHBondContact O-N 2.95Å; R920-A924 WeakPolarHBondContact O-CB 3.29Å; R920-A924 PolarHBondContact O-N 2.86Å; R920-L1052 HydrophobicContact CB-CD1 3.65Å; R920-L1052 HydrophobicContact CB-CD2 3.71Å; R920-L1052 HydrophobicContact CB-CG 4.27Å; R920-L1052 HydrophobicContact CG-CD1 4.24Å; R920-A1062 HydrophobicContact CB-CB 4.05Å; R920-A1062 HydrophobicContact CG-CB 4.29Å; R920-M1066 HydrophobicContact CG-CE 3.78Å; R920-E1087 IonicContact NH2-OE1 3.34Å; R920-E1087 PolarHBondContact NH2-OE1 3.22Å
921I93Very high91.7Very high0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-59.2-50.5169.6-71.5171.8000110.2L855 P858 F913 I917 A918 A923 A924 M925 L1052 C1055 Y1057L855-I921 HydrophobicContact CD2-CB 4.3Å; L855-I921 HydrophobicContact CD2-CD1 4.49Å; L855-I921 HydrophobicContact CD2-CG2 4.05Å; P858-I921 HydrophobicContact CB-CD1 3.69Å; P858-I921 HydrophobicContact CG-CD1 4.48Å; F913-I921 HydrophobicContact CE2-CD1 4.26Å; F913-I921 HydrophobicContact CZ-CD1 4.4Å; I917-I921 HydrophobicContact CG2-CD1 3.71Å; I917-I921 HydrophobicContact CG2-CG1 4.06Å; I917-I921 PolarHBondContact O-N 3.27Å; A918-I921 WeakPolarHBondContact O-CB 3.28Å; A918-I921 PolarHBondContact O-N 3.38Å; I921-A923 VanDerWaalsContact C-N 3.27Å; I921-A923 PolarHBondContact O-N 3.49Å; I921-A924 PolarHBondContact O-N 2.51Å; I921-M925 WeakPolarHBondContact O-CB 3.29Å; I921-M925 PolarHBondContact O-N 2.89Å; I921-L1052 HydrophobicContact CG1-CD2 3.86Å; I921-C1055 HydrophobicContact CD1-CB 4.19Å; I921-C1055 HydrophobicContact CG1-CB 4.47Å; I921-Y1057 HydrophobicContact CB-CD2 4.24Å; I921-Y1057 HydrophobicContact CB-CE2 4.24Å; I921-Y1057 HydrophobicContact CG1-CD2 3.78Å; I921-Y1057 HydrophobicContact CG1-CE2 4.03Å; I921-Y1057 HydrophobicContact CG2-CD2 4.04Å; I921-Y1057 HydrophobicContact CG2-CE2 3.53Å
922I93.7Very high91.5Very high2 Ų226.5 Ų26.51%0.0114%0.142CC..Hα-helixtrans-60.2-40.4179.6-61.1163.3000110.5L851 L855 A918 P919 Q981 L984 L985 F988L851-I922 HydrophobicContact CD2-CD1 3.46Å; L851-I922 VanDerWaalsContact CD2-CD1 3.46Å; L851-I922 HydrophobicContact CD2-CG1 4.44Å; L855-I922 HydrophobicContact CD1-CD1 4.47Å; L855-I922 HydrophobicContact CD2-CG1 4.37Å; A918-I922 WeakPolarHBondContact O-CG1 3.38Å; A918-I922 PolarHBondContact O-N 3.03Å; A918-I922 VanDerWaalsContact O-N 3.11Å; P919-I922 PolarHBondContact O-N 2.98Å; I922-Q981 PolarHBondContact O-NE2 2.78Å; I922-L984 HydrophobicContact CG2-CD2 4.31Å; I922-L985 HydrophobicContact CB-CD1 4.29Å; I922-L985 HydrophobicContact CG2-CB 3.98Å; I922-L985 HydrophobicContact CG2-CD1 4.25Å; I922-F988 HydrophobicContact CD1-CB 4.29Å; I922-F988 HydrophobicContact CD1-CD2 4.05Å; I922-F988 HydrophobicContact CD1-CG 4.15Å
923A92.5Very high91.4Very high3 Ų326.6 Ų26.63%0.02514%0.142CC..Hα-helixtrans-73.6-38.1-179.600000114P919 R920 I921 L985 A1062 F1065 M1066P919-A923 WeakPolarHBondContact O-CB 3.48Å; P919-A923 PolarHBondContact O-N 2.88Å; R920-A923 PolarHBondContact O-N 2.95Å; I921-A923 VanDerWaalsContact C-N 3.27Å; I921-A923 PolarHBondContact O-N 3.49Å; A923-L985 HydrophobicContact CB-CD2 4.03Å; A923-A1062 HydrophobicContact CB-CB 4.23Å; A923-F1065 HydrophobicContact CB-CB 4.37Å; A923-F1065 HydrophobicContact CB-CD1 3.92Å; A923-F1065 HydrophobicContact CB-CG 4.48Å; A923-F1065 VanDerWaalsContact O-CB 3.31Å; A923-F1065 WeakPolarHBondContact O-CB 3.47Å; A923-F1065 WeakPolarHBondContact O-CG 3.32Å; A923-M1066 HydrophobicContact CB-CE 4.35Å; A923-M1066 HydrophobicContact CB-CG 3.72Å; A923-M1066 HydrophobicContact CB-SD 4.22Å
924A91.7Very high91.4Very high13 Ų1327.1 Ų27.111%0.10715%0.146CC..Hα-helixtrans-83-14.9-177.100000113.8R920 I921 Y1057 A1062R920-A924 WeakPolarHBondContact O-CB 3.29Å; R920-A924 PolarHBondContact O-N 2.86Å; I921-A924 PolarHBondContact O-N 2.51Å; A924-Y1057 HydrophobicContact CB-CD1 4.14Å; A924-Y1057 HydrophobicContact CB-CG 4.29Å; A924-A1062 HydrophobicContact CB-CB 3.79Å
925M90.4Very high91.2Very high9 Ų930.4 Ų30.44%0.04416%0.161CC..SBendtrans-59.4130.9-178.6-179.5-178.6-69.700111.3I854 I921 T929 F930 Q981 Y1057I854-M925 HydrophobicContact CB-CE 4.39Å; I854-M925 HydrophobicContact CD1-CE 4.45Å; I854-M925 HydrophobicContact CG1-CE 4.21Å; I854-M925 HydrophobicContact CG2-CE 3.44Å; I854-M925 VanDerWaalsContact CG2-CE 3.44Å; I921-M925 WeakPolarHBondContact O-CB 3.29Å; I921-M925 PolarHBondContact O-N 2.89Å; M925-T929 HydrophobicContact CE-CG2 4.24Å; M925-T929 HydrophobicContact CG-CG2 3.81Å; M925-T929 HydrophobicContact SD-CG2 3.88Å; M925-F930 HydrophobicContact CG-CB 4.46Å; M925-F930 VanDerWaalsContact SD-CA 3.55Å; M925-F930 HydrophobicContact SD-CB 3.86Å; M925-F930 HydrophobicContact SD-CD2 4.39Å; M925-F930 PolarHBondContact SD-N 3.36Å; M925-Q981 PolarHBondContact O-NE2 2.94Å; M925-Y1057 HydrophobicContact CB-CE1 3.95Å; M925-Y1057 HydrophobicContact CG-CE1 4.3Å
926P91.1Very high91Very high72 Ų7228.9 Ų28.947%0.46816%0.155SC..  trans-59.3144.3172.4-23.233.5000111.9E928 T929 F930P926-E928 PolarHBondContact O-N 3.38Å; P926-E928 VanDerWaalsContact O-N 3.17Å; P926-T929 WeakPolarHBondContact O-CB 3.25Å; P926-T929 PolarHBondContact O-N 3.02Å; P926-F930 PolarHBondContact O-N 3.5Å
927S89.6Confident90.9Very high88 Ų8827.9 Ų27.962%0.61515%0.152SC*.Hα-helixtrans-58.2-33-178.4-55.20000113.2F930 K931S927-F930 PolarHBondContact O-N 3.4Å; S927-K931 WeakPolarHBondContact O-CB 3.1Å; S927-K931 PolarHBondContact O-N 3.46Å
928E88.9Confident90.9Very high121 Ų12129 Ų2957%0.56516%0.158SC*.Hα-helixtrans-67.5-40.3176-168.554.5-141.100112.4P926 F930 K931 T932P926-E928 PolarHBondContact O-N 3.38Å; P926-E928 VanDerWaalsContact O-N 3.17Å; E928-F930 VanDerWaalsContact C-N 3.33Å; E928-F930 PolarHBondContact O-N 3.27Å; E928-K931 PolarHBondContact O-N 3.23Å; E928-T932 WeakPolarHBondContact O-CB 3.33Å; E928-T932 PolarHBondContact O-N 3.18Å; E928-T932 PolarHBondContact O-OG1 3.08Å
929T87.1Confident90.4Very high34 Ų3429.6 Ų29.621%0.20916%0.162CC..Hα-helixtrans-65.3-38.7174.7-51.10000111.1M925 P926 S933M925-T929 HydrophobicContact CE-CG2 4.24Å; M925-T929 HydrophobicContact CG-CG2 3.81Å; M925-T929 HydrophobicContact SD-CG2 3.88Å; P926-T929 WeakPolarHBondContact O-CB 3.25Å; P926-T929 PolarHBondContact O-N 3.02Å; T929-S933 WeakPolarHBondContact O-CB 3.2Å; T929-S933 PolarHBondContact O-N 3.46Å; T929-S933 PolarHBondContact O-OG 3.41Å
930F92.6Very high89.9Confident16 Ų1632 Ų327%0.0718%0.177CC..Hα-helixtrans-63.8-48.9174.8179.2-96.3000111.3L850 I854 M925 P926 S927 E928 T932 S933 V934 I979 T980 Q981 L984L850-F930 HydrophobicContact CD2-CE2 4.13Å; L850-F930 HydrophobicContact CD2-CZ 4.13Å; I854-F930 HydrophobicContact CD1-CD2 4.19Å; I854-F930 HydrophobicContact CD1-CE2 4.26Å; M925-F930 HydrophobicContact CG-CB 4.46Å; M925-F930 VanDerWaalsContact SD-CA 3.55Å; M925-F930 HydrophobicContact SD-CB 3.86Å; M925-F930 HydrophobicContact SD-CD2 4.39Å; M925-F930 PolarHBondContact SD-N 3.36Å; P926-F930 PolarHBondContact O-N 3.5Å; S927-F930 PolarHBondContact O-N 3.4Å; E928-F930 VanDerWaalsContact C-N 3.33Å; E928-F930 PolarHBondContact O-N 3.27Å; F930-T932 VanDerWaalsContact C-N 3.34Å; F930-T932 PolarHBondContact O-N 3.22Å; F930-S933 WeakPolarHBondContact O-CB 3.5Å; F930-S933 PolarHBondContact O-N 2.79Å; F930-S933 VanDerWaalsContact O-N 3.08Å; F930-V934 HydrophobicContact CD1-CG2 4.19Å; F930-V934 HydrophobicContact CE1-CG2 3.65Å; F930-V934 HydrophobicContact CE2-CG2 4.27Å; F930-V934 HydrophobicContact CZ-CG2 3.69Å; F930-V934 WeakPolarHBondContact O-CG2 3.27Å; F930-V934 PolarHBondContact O-N 3.3Å; F930-I979 WeakPolarHBondContact CE1-O 3.45Å; F930-I979 HydrophobicContact CZ-CG2 4.32Å; F930-T980 VanDerWaalsContact CZ-C 3.47Å; F930-Q981 HydrophobicContact CD1-CB 4.04Å; F930-Q981 HydrophobicContact CD2-CB 3.95Å; F930-Q981 HydrophobicContact CD2-CG 4.14Å; F930-Q981 HydrophobicContact CE1-CB 4.16Å; F930-Q981 VanDerWaalsContact CE1-N 3.32Å; F930-Q981 HydrophobicContact CE2-CB 4.07Å; F930-Q981 HydrophobicContact CG-CB 3.94Å; F930-Q981 HydrophobicContact CG-CG 4.35Å; F930-Q981 HydrophobicContact CZ-CB 4.19Å; F930-Q981 VanDerWaalsContact CZ-N 3.27Å; F930-L984 HydrophobicContact CE2-CB 4.43Å; F930-L984 HydrophobicContact CE2-CD2 3.74Å
931K92.3Very high89.6Confident111 Ų11132.9 Ų32.948%0.48318%0.181SC..Hα-helixtrans-57.9-46.4176.7-173.7-178.1175.8-172.10111.4S927 E928 S933 V934 E935S927-K931 WeakPolarHBondContact O-CB 3.1Å; S927-K931 PolarHBondContact O-N 3.46Å; E928-K931 PolarHBondContact O-N 3.23Å; K931-S933 VanDerWaalsContact C-N 3.27Å; K931-S933 PolarHBondContact O-N 3.4Å; K931-V934 PolarHBondContact O-N 2.99Å; K931-E935 WeakPolarHBondContact CE-OE1 3.39Å; K931-E935 HydrophobicContact CG-CG 4.49Å; K931-E935 WeakPolarHBondContact O-CB 3.47Å; K931-E935 WeakPolarHBondContact O-CG 3.35Å; K931-E935 PolarHBondContact O-N 3.35Å
932T88Confident89.3Confident19 Ų1937 Ų3712%0.11720%0.2CC..Hα-helixtrans-58-38.8175.1-62.40000112R127 E928 F930 S936R127-T932 HydrophobicContact CG-CG2 4.44Å; E928-T932 WeakPolarHBondContact O-CB 3.33Å; E928-T932 PolarHBondContact O-N 3.18Å; E928-T932 PolarHBondContact O-OG1 3.08Å; F930-T932 VanDerWaalsContact C-N 3.34Å; F930-T932 PolarHBondContact O-N 3.22Å; T932-S936 WeakPolarHBondContact O-CB 3.28Å; T932-S936 PolarHBondContact O-N 2.83Å; T932-S936 PolarHBondContact O-OG 3.05Å
933S88.9Confident88.7Confident3 Ų338.5 Ų38.52%0.02121%0.208CC..Hα-helixtrans-68.9-41.6177.9-58.70000112.1T929 F930 K931 S936 L937T929-S933 WeakPolarHBondContact O-CB 3.2Å; T929-S933 PolarHBondContact O-N 3.46Å; T929-S933 PolarHBondContact O-OG 3.41Å; F930-S933 WeakPolarHBondContact O-CB 3.5Å; F930-S933 PolarHBondContact O-N 2.79Å; F930-S933 VanDerWaalsContact O-N 3.08Å; K931-S933 VanDerWaalsContact C-N 3.27Å; K931-S933 PolarHBondContact O-N 3.4Å; S933-S936 PolarHBondContact O-N 2.77Å; S933-L937 PolarHBondContact O-N 3.19Å
934V93Very high88.2Confident12 Ų1240.5 Ų40.57%0.07322%0.217CC..Hα-helixtrans-65-52.9176.2172.20000111.1L850 F930 K931 S936 L937 I938 L976L850-V934 HydrophobicContact CD1-CG2 4.08Å; L850-V934 HydrophobicContact CD2-CG2 3.85Å; F930-V934 HydrophobicContact CD1-CG2 4.19Å; F930-V934 HydrophobicContact CE1-CG2 3.65Å; F930-V934 HydrophobicContact CE2-CG2 4.27Å; F930-V934 HydrophobicContact CZ-CG2 3.69Å; F930-V934 WeakPolarHBondContact O-CG2 3.27Å; F930-V934 PolarHBondContact O-N 3.3Å; K931-V934 PolarHBondContact O-N 2.99Å; V934-S936 PolarHBondContact O-N 2.95Å; V934-L937 PolarHBondContact O-N 2.95Å; V934-L937 VanDerWaalsContact O-N 3.13Å; V934-I938 HydrophobicContact CG1-CD1 3.87Å; V934-I938 HydrophobicContact CG1-CG1 4.49Å; V934-I938 WeakPolarHBondContact O-CG1 3.45Å; V934-I938 PolarHBondContact O-N 3.38Å; V934-L976 VanDerWaalsContact CG1-O 3.31Å; V934-L976 WeakPolarHBondContact CG1-O 3.39Å
935E89.8Confident87.8Confident68 Ų6840.3 Ų40.332%0.31821%0.214SC..Hα-helixtrans-55.1-38.1174.1-72.9177.7-17200110.7K149 K931 I938 S939K149-E935 IonicContact NZ-OE2 3.14Å; K149-E935 PolarHBondContact NZ-OE2 3.05Å; K931-E935 WeakPolarHBondContact CE-OE1 3.39Å; K931-E935 HydrophobicContact CG-CG 4.49Å; K931-E935 WeakPolarHBondContact O-CB 3.47Å; K931-E935 WeakPolarHBondContact O-CG 3.35Å; K931-E935 PolarHBondContact O-N 3.35Å; E935-I938 PolarHBondContact O-N 3.43Å; E935-S939 WeakPolarHBondContact O-CB 3.48Å; E935-S939 PolarHBondContact O-N 2.91Å
936S85.9Confident87.3Confident0 Ų041.7 Ų41.70%022%0.224CC..Hα-helixtrans-67.1-44.2179.3-71.30000112.2Q126 K147 T932 S933 V934 I938 S939 V940Q126-S936 PolarHBondContact O-OG 2.82Å; K147-S936 PolarHBondContact NZ-O 2.91Å; K147-S936 PolarHBondContact NZ-OG 3.25Å; T932-S936 WeakPolarHBondContact O-CB 3.28Å; T932-S936 PolarHBondContact O-N 2.83Å; T932-S936 PolarHBondContact O-OG 3.05Å; S933-S936 PolarHBondContact O-N 2.77Å; V934-S936 PolarHBondContact O-N 2.95Å; S936-I938 VanDerWaalsContact C-N 3.35Å; S936-S939 PolarHBondContact O-N 2.66Å; S936-S939 PolarHBondContact O-OG 3.45Å; S936-V940 WeakPolarHBondContact O-CG2 3.42Å; S936-V940 PolarHBondContact O-N 3.23Å; S936-V940 VanDerWaalsContact O-N 3.11Å
937L88.7Confident87Confident12 Ų1239.7 Ų39.76%0.06321%0.209CC..Hα-helixtrans-67.9-37.5177.2-174.957.4000112K849 L850 F853 S933 V934 S939 V940 H941 L976K849-L937 HydrophobicContact CB-CD2 3.84Å; L850-L937 HydrophobicContact CB-CD2 3.85Å; L850-L937 HydrophobicContact CD1-CD2 4.13Å; F853-L937 HydrophobicContact CD2-CD1 4.33Å; S933-L937 PolarHBondContact O-N 3.19Å; V934-L937 PolarHBondContact O-N 2.95Å; V934-L937 VanDerWaalsContact O-N 3.13Å; L937-S939 VanDerWaalsContact C-N 3.31Å; L937-S939 PolarHBondContact O-N 3.35Å; L937-V940 PolarHBondContact O-N 2.91Å; L937-H941 PolarHBondContact O-CD2 3.21Å; L937-H941 VanDerWaalsContact O-CD2 3.3Å; L937-H941 PolarHBondContact O-N 3.28Å; L937-L976 HydrophobicContact CB-CD1 4.37Å; L937-L976 HydrophobicContact CD2-CD1 4.13Å; L937-L976 HydrophobicContact CD2-CD2 3.58Å; L937-L976 HydrophobicContact CG-CD1 3.79Å; L937-L976 HydrophobicContact CG-CD2 4.15Å
938I91.2Very high87.1Confident23 Ų2335.9 Ų35.912%0.11818%0.182CC..Hα-helixtrans-55.3-49.6172.7-76.3169.8000110.3V934 E935 S936 V940 H941 Q942 V973 L976V934-I938 HydrophobicContact CG1-CD1 3.87Å; V934-I938 HydrophobicContact CG1-CG1 4.49Å; V934-I938 WeakPolarHBondContact O-CG1 3.45Å; V934-I938 PolarHBondContact O-N 3.38Å; E935-I938 PolarHBondContact O-N 3.43Å; S936-I938 VanDerWaalsContact C-N 3.35Å; I938-V940 VanDerWaalsContact C-N 3.31Å; I938-V940 PolarHBondContact O-N 3.16Å; I938-H941 CarbonylContact O-C 3.59Å; I938-H941 WeakPolarHBondContact O-CA 3.36Å; I938-H941 WeakPolarHBondContact O-CB 3.22Å; I938-H941 PolarHBondContact O-N 3.05Å; I938-Q942 HydrophobicContact CG2-CG 4.48Å; I938-Q942 WeakPolarHBondContact O-CG 3.36Å; I938-Q942 PolarHBondContact O-N 3.11Å; I938-Q942 VanDerWaalsContact O-N 3.12Å; I938-V973 HydrophobicContact CG2-CG1 3.85Å; I938-V973 HydrophobicContact CG2-CG2 4.2Å; I938-L976 HydrophobicContact CD1-CB 4.09Å; I938-L976 HydrophobicContact CG1-CB 3.55Å; I938-L976 HydrophobicContact CG1-CD1 4.08Å; I938-L976 HydrophobicContact CG1-CG 4.47Å
939S83.9Confident87.2Confident12 Ų1232.9 Ų32.98%0.08417%0.168CC..Hα-helixtrans-71-29.5-173.899.70000112.3E76 K147 E935 S936 L937 H941 Q942 L943E76-S939 WeakPolarHBondContact OE2-CB 3.29Å; E76-S939 PolarHBondContact OE2-OG 2.98Å; K147-S939 VanDerWaalsContact CD-OG 3.28Å; K147-S939 WeakPolarHBondContact CD-OG 3.31Å; K147-S939 WeakPolarHBondContact CE-OG 3.39Å; K147-S939 PolarHBondContact NZ-OG 3.18Å; E935-S939 WeakPolarHBondContact O-CB 3.48Å; E935-S939 PolarHBondContact O-N 2.91Å; S936-S939 PolarHBondContact O-N 2.66Å; S936-S939 PolarHBondContact O-OG 3.45Å; L937-S939 VanDerWaalsContact C-N 3.31Å; L937-S939 PolarHBondContact O-N 3.35Å; S939-H941 VanDerWaalsContact C-N 3.27Å; S939-H941 PolarHBondContact O-N 3.21Å; S939-Q942 CarbonylContact O-C 3.49Å; S939-Q942 WeakPolarHBondContact O-CA 3.16Å; S939-Q942 PolarHBondContact O-N 3.22Å; S939-L943 PolarHBondContact O-N 2.84Å
940V83.2Confident87.2Confident52 Ų5233.4 Ų33.432%0.31517%0.172SC..Hα-helixtrans-58.5-39.5167.4170.30000111.5S936 L937 I938 Q942S936-V940 WeakPolarHBondContact O-CG2 3.42Å; S936-V940 PolarHBondContact O-N 3.23Å; S936-V940 VanDerWaalsContact O-N 3.11Å; L937-V940 PolarHBondContact O-N 2.91Å; I938-V940 VanDerWaalsContact C-N 3.31Å; I938-V940 PolarHBondContact O-N 3.16Å; V940-Q942 VanDerWaalsContact C-N 3.26Å; V940-Q942 PolarHBondContact O-N 3.3Å
941H85.7Confident87.2Confident21 Ų2133.1 Ų33.110%0.09717%0.17CC..Hα-helixtrans-73-15.7174.4-80.2-80.4000113.7L937 I938 S939 R969 V973L937-H941 PolarHBondContact O-CD2 3.21Å; L937-H941 VanDerWaalsContact O-CD2 3.3Å; L937-H941 PolarHBondContact O-N 3.28Å; I938-H941 CarbonylContact O-C 3.59Å; I938-H941 WeakPolarHBondContact O-CA 3.36Å; I938-H941 WeakPolarHBondContact O-CB 3.22Å; I938-H941 PolarHBondContact O-N 3.05Å; S939-H941 VanDerWaalsContact C-N 3.27Å; S939-H941 PolarHBondContact O-N 3.21Å; H941-R969 WeakPolarHBondContact O-CD 3.22Å; H941-V973 HydrophobicContact CB-CG2 3.8Å
942Q87.1Confident87.3Confident87 Ų8727.9 Ų27.941%0.40715%0.148SC..Hα-helixtrans-99.7-4.5177.2-65.9174.8-47.100113.8I938 S939 V940 E944 V973I938-Q942 HydrophobicContact CG2-CG 4.48Å; I938-Q942 WeakPolarHBondContact O-CG 3.36Å; I938-Q942 PolarHBondContact O-N 3.11Å; I938-Q942 VanDerWaalsContact O-N 3.12Å; S939-Q942 CarbonylContact O-C 3.49Å; S939-Q942 WeakPolarHBondContact O-CA 3.16Å; S939-Q942 PolarHBondContact O-N 3.22Å; V940-Q942 VanDerWaalsContact C-N 3.26Å; V940-Q942 PolarHBondContact O-N 3.3Å; Q942-E944 PolarHBondContact O-N 3.43Å; Q942-V973 HydrophobicContact CG-CG2 3.79Å
943L80.7Confident87.5Confident33 Ų3331.8 Ų31.817%0.17316%0.164CC..BIsolated β-bridgetrans-55.5138.1177.7-72.9174.2000111.1E76 K78 S939E76-L943 HydrophobicContact CB-CD2 4.3Å; E76-L943 WeakPolarHBondContact O-CA 3.47Å; E76-L943 VanDerWaalsContact O-CD2 3.24Å; E76-L943 WeakPolarHBondContact O-CD2 3.25Å; K78-L943 HydrophobicContact CG-CD2 4.25Å; S939-L943 PolarHBondContact O-N 2.84Å
944E81.6Confident87.5Confident45 Ų4534.5 Ų34.521%0.2117%0.174CC..PPolyproline II helixtrans-62.9141.5170.3-63.1-158.5160.600110.7K37 Q75 E76 Q942 P946K37-E944 WeakPolarHBondContact CE-OE2 3.34Å; K37-E944 IonicContact NZ-OE1 2.74Å; K37-E944 PolarHBondContact NZ-OE1 3.48Å; K37-E944 IonicContact NZ-OE2 3.66Å; K37-E944 PolarHBondContact NZ-OE2 2.81Å; Q75-E944 HydrophobicContact CB-CB 4.39Å; Q75-E944 HydrophobicContact CB-CG 3.11Å; Q75-E944 WeakPolarHBondContact CB-OE1 3.48Å; Q75-E944 HydrophobicContact CG-CG 3.99Å; Q75-E944 PolarHBondContact OE1-OE1 3.34Å; E76-E944 PolarHBondContact O-N 3.46Å; Q942-E944 PolarHBondContact O-N 3.43Å; E944-P946 WeakPolarHBondContact O-CD 3.22Å
945D85.1Confident87.5Confident8 Ų834.1 Ų34.14%0.04317%0.172CC..PPolyproline II helixtrans-71116.7164.7-59.6-39.6000107F611 N947 T950 E951 R954 R969F611-D945 WeakPolarHBondContact CE1-O 3.44Å; F611-D945 WeakPolarHBondContact CZ-O 3.33Å; D945-N947 VanDerWaalsContact C-N 3.33Å; D945-N947 PolarHBondContact O-N 2.88Å; D945-T950 HydrophobicContact CB-CG2 4.31Å; D945-E951 HydrophobicContact CB-CB 3.97Å; D945-R954 IonicContact OD1-NE 2.87Å; D945-R954 IonicContact OD2-CZ 3.86Å; D945-R954 IonicContact OD2-NE 2.79Å; D945-R954 PolarHBondContact OD2-NE 2.95Å; D945-R954 VanDerWaalsContact OD2-NE 3.13Å; D945-R954 IonicContact OD2-NH2 3.08Å; D945-R954 PolarHBondContact OD2-NH2 3.24Å; D945-R969 IonicContact OD1-CZ 2.98Å; D945-R969 IonicContact OD1-NH1 3.34Å; D945-R969 PolarHBondContact OD1-NH1 2.84Å; D945-R969 IonicContact OD1-NH2 3.04Å; D945-R969 PolarHBondContact OD1-NH2 2.93Å; D945-R969 IonicContact OD2-NH1 3.28Å
946P79.8Confident87.7Confident38 Ų3831 Ų3125%0.24716%0.157CC..  trans-73-25-169.333.2-44.1000113.7E460 E944E460-P946 HydrophobicContact CG-CG 4.3Å; E460-P946 VanDerWaalsContact OE1-CG 3.26Å; E460-P946 WeakPolarHBondContact OE1-CG 3.35Å; E944-P946 WeakPolarHBondContact O-CD 3.22Å
947N85Confident87.7Confident30 Ų3034.1 Ų34.116%0.1617%0.174CC..SBendtrans-146.1167.6-171.769.455.8000110E457 F611 D945 M949 T950E457-N947 HydrophobicContact CB-CB 4.36Å; E457-N947 WeakPolarHBondContact OE2-CB 3.36Å; F611-N947 VanDerWaalsContact CZ-C 3.45Å; F611-N947 VanDerWaalsContact CZ-O 3.32Å; F611-N947 WeakPolarHBondContact CZ-O 3.44Å; D945-N947 VanDerWaalsContact C-N 3.33Å; D945-N947 PolarHBondContact O-N 2.88Å; N947-M949 PolarHBondContact O-N 2.59Å; N947-M949 PolarHBondContact OD1-N 2.9Å; N947-M949 VanDerWaalsContact OD1-N 3.11Å; N947-T950 PolarHBondContact ND2-OG1 3.29Å; N947-T950 PolarHBondContact OD1-N 2.85Å; N947-T950 PolarHBondContact OD1-OG1 2.7Å
948M91Very high87.7Confident9 Ų934.4 Ų34.44%0.04418%0.175CC..Hα-helixtrans-64.8-39.6-173.7-176-176.1157.800112E457 F611 K615 Y775 E951 F952E457-M948 VanDerWaalsContact OE1-CB 3.29Å; E457-M948 WeakPolarHBondContact OE1-CB 3.47Å; E457-M948 WeakPolarHBondContact OE2-CB 3.31Å; E457-M948 PolarHBondContact OE2-N 3.47Å; F611-M948 HydrophobicContact CD2-CB 3.84Å; F611-M948 HydrophobicContact CD2-CG 4.35Å; F611-M948 HydrophobicContact CE2-CB 4.28Å; F611-M948 HydrophobicContact CG-CB 4.36Å; K615-M948 HydrophobicContact CB-SD 4.4Å; Y775-M948 HydrophobicContact CD1-CE 3.41Å; Y775-M948 VanDerWaalsContact CD1-CE 3.41Å; Y775-M948 HydrophobicContact CD1-CG 3.98Å; Y775-M948 HydrophobicContact CE1-CB 4.36Å; Y775-M948 HydrophobicContact CE1-CE 3.64Å; Y775-M948 HydrophobicContact CE1-CG 3.24Å; Y775-M948 WeakPolarHBondContact CE1-O 3.35Å; Y775-M948 HydrophobicContact CE1-SD 4.28Å; Y775-M948 HydrophobicContact CG-CE 4.34Å; Y775-M948 WeakPolarHBondContact O-CE 3.43Å; M948-E951 PolarHBondContact O-N 2.96Å; M948-F952 WeakPolarHBondContact O-CB 3.49Å; M948-F952 PolarHBondContact O-N 3.46Å
949M89.9Confident87.6Confident58 Ų5834 Ų3429%0.28617%0.173SC..Hα-helixtrans-67.9-37.5-177.2-73.3-59-64.700112.8S617 N947 E951 F952 E953S617-M949 PolarHBondContact OG-SD 3.3Å; N947-M949 PolarHBondContact O-N 2.59Å; N947-M949 PolarHBondContact OD1-N 2.9Å; N947-M949 VanDerWaalsContact OD1-N 3.11Å; M949-E951 PolarHBondContact O-N 3.08Å; M949-F952 HydrophobicContact CE-CD1 4.01Å; M949-F952 HydrophobicContact CE-CE1 4.47Å; M949-F952 WeakPolarHBondContact O-CB 3.45Å; M949-F952 PolarHBondContact O-N 3.13Å; M949-F952 HydrophobicContact SD-CD1 4.13Å; M949-E953 WeakPolarHBondContact O-CG 3.22Å; M949-E953 PolarHBondContact O-N 3.45Å
950T88.7Confident87.7Confident45 Ų4533.8 Ų33.828%0.27617%0.17SC..Hα-helixtrans-62.9-42.6177.1-57.80000112D945 N947 R954D945-T950 HydrophobicContact CB-CG2 4.31Å; N947-T950 PolarHBondContact ND2-OG1 3.29Å; N947-T950 PolarHBondContact OD1-N 2.85Å; N947-T950 PolarHBondContact OD1-OG1 2.7Å; T950-R954 WeakPolarHBondContact O-CB 3.42Å; T950-R954 PolarHBondContact O-N 3.19Å
951E91.4Very high87.3Confident10 Ų1032.3 Ų32.35%0.04716%0.16CC..Hα-helixtrans-65.2-44175-174.9-178.517400111.1Q606 R610 F611 Y775 D945 M948 M949 R954 N955Q606-E951 PolarHBondContact NE2-OE1 3.45Å; R610-E951 IonicContact CZ-OE2 4Å; R610-E951 IonicContact NE-OE2 2.78Å; R610-E951 IonicContact NH2-OE2 3.69Å; R610-E951 PolarHBondContact NH2-OE2 3.04Å; F611-E951 WeakPolarHBondContact CE2-OE2 3.25Å; Y775-E951 PolarHBondContact OH-OE2 2.95Å; D945-E951 HydrophobicContact CB-CB 3.97Å; M948-E951 PolarHBondContact O-N 2.96Å; M949-E951 PolarHBondContact O-N 3.08Å; E951-R954 PolarHBondContact O-N 2.75Å; E951-N955 WeakPolarHBondContact O-CB 3.4Å; E951-N955 PolarHBondContact O-N 3.16Å; E951-N955 PolarHBondContact O-ND2 2.71Å
952F94.3Very high86.2Confident0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-60.1-49.7180178.2-117.4000112.9M619 Y773 Y775 M948 M949 N955 W956M619-F952 HydrophobicContact CB-CE1 4.34Å; M619-F952 HydrophobicContact CB-CE2 4.44Å; M619-F952 HydrophobicContact CB-CZ 3.66Å; M619-F952 HydrophobicContact CE-CE1 3.78Å; M619-F952 HydrophobicContact CE-CZ 4.27Å; Y773-F952 AromaticContact CD1-CD2 3.6Å; Y773-F952 HydrophobicContact CD1-CD2 3.6Å; Y773-F952 AromaticContact CD1-CE2 3.36Å; Y773-F952 HydrophobicContact CD1-CE2 3.36Å; Y773-F952 HydrophobicContact CD1-CZ 4.31Å; Y773-F952 AromaticContact CE1-CD2 3.29Å; Y773-F952 HydrophobicContact CE1-CD2 3.29Å; Y773-F952 AromaticContact CE1-CE2 3.61Å; Y773-F952 HydrophobicContact CE1-CE2 3.61Å; Y773-F952 HydrophobicContact CE1-CG 4.29Å; Y773-F952 WeakPolarHBondContact CE1-O 3.37Å; Y773-F952 HydrophobicContact CG-CE2 4.06Å; Y775-F952 HydrophobicContact CD1-CB 3.66Å; Y775-F952 AromaticContact CD1-CD2 3.72Å; Y775-F952 HydrophobicContact CD1-CD2 3.72Å; Y775-F952 HydrophobicContact CD1-CG 4.04Å; Y775-F952 HydrophobicContact CE1-CB 3.94Å; Y775-F952 AromaticContact CG-CD2 3.97Å; Y775-F952 HydrophobicContact CG-CD2 3.97Å; M948-F952 WeakPolarHBondContact O-CB 3.49Å; M948-F952 PolarHBondContact O-N 3.46Å; M949-F952 HydrophobicContact CE-CD1 4.01Å; M949-F952 HydrophobicContact CE-CE1 4.47Å; M949-F952 WeakPolarHBondContact O-CB 3.45Å; M949-F952 PolarHBondContact O-N 3.13Å; M949-F952 HydrophobicContact SD-CD1 4.13Å; F952-N955 PolarHBondContact O-N 3.41Å; F952-W956 WeakPolarHBondContact O-CB 3.39Å; F952-W956 PolarHBondContact O-N 3.36Å
953E92.1Very high85.5Confident101 Ų10135.3 Ų35.347%0.47219%0.19SC..Hα-helixtrans-66.9-39.7-179.5-71.1-172.4157.700111.9M949 N955 W956 D957M949-E953 WeakPolarHBondContact O-CG 3.22Å; M949-E953 PolarHBondContact O-N 3.45Å; E953-N955 PolarHBondContact O-N 2.67Å; E953-W956 PolarHBondContact O-N 2.63Å; E953-D957 PolarHBondContact O-N 3.34Å
954R90.3Very high85.5Confident61 Ų6134.8 Ų34.823%0.2319%0.19CC..Hα-helixtrans-57.5-50.4173.9173.7172.669.384-1.1111.8D945 T950 E951 W956 D957 E958D945-R954 IonicContact OD1-NE 2.87Å; D945-R954 IonicContact OD2-CZ 3.86Å; D945-R954 IonicContact OD2-NE 2.79Å; D945-R954 PolarHBondContact OD2-NE 2.95Å; D945-R954 VanDerWaalsContact OD2-NE 3.13Å; D945-R954 IonicContact OD2-NH2 3.08Å; D945-R954 PolarHBondContact OD2-NH2 3.24Å; T950-R954 WeakPolarHBondContact O-CB 3.42Å; T950-R954 PolarHBondContact O-N 3.19Å; E951-R954 PolarHBondContact O-N 2.75Å; R954-W956 VanDerWaalsContact C-N 3.3Å; R954-W956 PolarHBondContact O-N 3.5Å; R954-D957 PolarHBondContact O-N 2.85Å; R954-E958 PolarHBondContact O-N 3.13Å
955N93Very high85.8Confident4 Ų434.1 Ų34.12%0.02119%0.188CC..Hα-helixtrans-65.9-35.7179.9-71.6-19.8000111.4P585 Q606 Y773 E951 F952 E953 E958 I959 F966P585-N955 HydrophobicContact CG-CB 4.02Å; Q606-N955 PolarHBondContact OE1-ND2 3.33Å; Y773-N955 HydrophobicContact CE1-CB 3.77Å; Y773-N955 WeakPolarHBondContact OH-CB 3.45Å; Y773-N955 PolarHBondContact OH-ND2 3.25Å; Y773-N955 VanDerWaalsContact OH-ND2 3.13Å; E951-N955 WeakPolarHBondContact O-CB 3.4Å; E951-N955 PolarHBondContact O-N 3.16Å; E951-N955 PolarHBondContact O-ND2 2.71Å; F952-N955 PolarHBondContact O-N 3.41Å; E953-N955 PolarHBondContact O-N 2.67Å; N955-E958 PolarHBondContact O-N 2.89Å; N955-I959 WeakPolarHBondContact O-CD1 3.26Å; N955-I959 VanDerWaalsContact O-CG1 3.29Å; N955-I959 WeakPolarHBondContact O-CG1 3.5Å; N955-I959 PolarHBondContact O-N 3.43Å; N955-F966 HydrophobicContact CB-CD1 4.48Å; N955-F966 HydrophobicContact CB-CE1 4.29Å
956W92.6Very high86Confident3 Ų334.9 Ų34.91%0.01119%0.191CC..Hα-helixtrans-63.5-41.7175.4178.3-106.4000113M619 H621 T771 Y773 F952 E953 R954 E958 I959 M960M619-W956 HydrophobicContact CB-CD2 4.02Å; M619-W956 HydrophobicContact CB-CE3 3.81Å; M619-W956 HydrophobicContact CB-CH2 4.18Å; M619-W956 HydrophobicContact CB-CZ2 4.4Å; M619-W956 HydrophobicContact CB-CZ3 3.88Å; M619-W956 HydrophobicContact CE-CG 4.45Å; M619-W956 HydrophobicContact CG-CD2 3.54Å; M619-W956 HydrophobicContact CG-CE3 3.76Å; M619-W956 HydrophobicContact CG-CG 4.21Å; M619-W956 HydrophobicContact CG-CH2 3.63Å; M619-W956 HydrophobicContact CG-CZ2 3.42Å; M619-W956 VanDerWaalsContact CG-CZ2 3.42Å; M619-W956 HydrophobicContact CG-CZ3 3.79Å; H621-W956 HydrophobicContact CB-CH2 3.95Å; H621-W956 HydrophobicContact CB-CZ2 4.01Å; T771-W956 HydrophobicContact CG2-CH2 4.02Å; T771-W956 HydrophobicContact CG2-CZ3 4.05Å; Y773-W956 HydrophobicContact CD1-CB 4.24Å; Y773-W956 HydrophobicContact CD1-CE3 4.11Å; Y773-W956 HydrophobicContact CG-CE3 4.32Å; F952-W956 WeakPolarHBondContact O-CB 3.39Å; F952-W956 PolarHBondContact O-N 3.36Å; E953-W956 PolarHBondContact O-N 2.63Å; R954-W956 VanDerWaalsContact C-N 3.3Å; R954-W956 PolarHBondContact O-N 3.5Å; W956-E958 VanDerWaalsContact C-N 3.32Å; W956-E958 PolarHBondContact O-N 2.69Å; W956-I959 HydrophobicContact CE3-CB 4.45Å; W956-I959 HydrophobicContact CE3-CD1 4.5Å; W956-I959 HydrophobicContact CE3-CG2 4.15Å; W956-I959 HydrophobicContact CZ3-CG2 4.12Å; W956-I959 WeakPolarHBondContact O-CB 3.21Å; W956-I959 PolarHBondContact O-N 3.24Å; W956-M960 HydrophobicContact CD2-CG 4Å; W956-M960 VanDerWaalsContact CE2-CG 3.41Å; W956-M960 HydrophobicContact CG-CG 4.48Å; W956-M960 HydrophobicContact CH2-CG 4.26Å; W956-M960 HydrophobicContact CH2-SD 3.82Å; W956-M960 HydrophobicContact CZ2-CE 4.34Å; W956-M960 HydrophobicContact CZ2-CG 3.58Å; W956-M960 HydrophobicContact CZ2-SD 3.44Å; W956-M960 WeakPolarHBondContact CZ2-SD 3.3Å; W956-M960 WeakPolarHBondContact O-CG 3.35Å; W956-M960 PolarHBondContact O-N 3.42Å
957D87.2Confident86.4Confident64 Ų6435.8 Ų35.834%0.34219%0.194SC..Hα-helixtrans-62.8-40.7177.1-78.7-20000111R667 E953 R954 M960 E961R667-D957 IonicContact CZ-OD1 2.71Å; R667-D957 IonicContact NH2-OD1 3.8Å; R667-D957 PolarHBondContact NH2-OD1 3.11Å; E953-D957 PolarHBondContact O-N 3.34Å; R954-D957 PolarHBondContact O-N 2.85Å; D957-M960 PolarHBondContact O-N 2.96Å; D957-E961 WeakPolarHBondContact O-CG 3.31Å; D957-E961 PolarHBondContact O-N 3.48Å; D957-E961 VanDerWaalsContact O-N 3.14Å
958E87.8Confident86.5Confident19 Ų1935.3 Ų35.39%0.08919%0.19CC..Hα-helixtrans-63.3-40.8172.8-66.3-60149.500112.6R954 N955 W956 M960 E961 A964 N965 F966R954-E958 PolarHBondContact O-N 3.13Å; N955-E958 PolarHBondContact O-N 2.89Å; W956-E958 VanDerWaalsContact C-N 3.32Å; W956-E958 PolarHBondContact O-N 2.69Å; E958-M960 VanDerWaalsContact C-N 3.31Å; E958-M960 PolarHBondContact O-N 2.89Å; E958-E961 PolarHBondContact O-N 3.45Å; E958-E961 VanDerWaalsContact O-O 3.12Å; E958-A964 VanDerWaalsContact O-CA 3.27Å; E958-A964 WeakPolarHBondContact O-CA 3.17Å; E958-A964 PolarHBondContact O-N 3.32Å; E958-N965 PolarHBondContact OE2-N 3.36Å; E958-F966 HydrophobicContact CB-CD1 4.16Å; E958-F966 HydrophobicContact CB-CE1 4.1Å
959I90Very high86.4Confident15 Ų1538 Ų388%0.07720%0.2CC..Hα-helixtrans-61.8-38.6176.5-75.5163.5000111.9W604 T771 Y773 N955 W956 E961 F966W604-I959 HydrophobicContact CB-CD1 3.68Å; W604-I959 HydrophobicContact CB-CG1 4.47Å; W604-I959 VanDerWaalsContact CD1-CG2 3.47Å; W604-I959 HydrophobicContact CD2-CD1 3.95Å; W604-I959 HydrophobicContact CD2-CG1 3.77Å; W604-I959 HydrophobicContact CD2-CG2 4.43Å; W604-I959 HydrophobicContact CE3-CD1 4.42Å; W604-I959 HydrophobicContact CE3-CG1 4.24Å; W604-I959 HydrophobicContact CG-CD1 3.61Å; W604-I959 HydrophobicContact CG-CG1 3.87Å; W604-I959 HydrophobicContact CG-CG2 4.09Å; T771-I959 HydrophobicContact CG2-CG2 3.91Å; Y773-I959 HydrophobicContact CD1-CD1 3.81Å; Y773-I959 HydrophobicContact CD2-CD1 3.84Å; Y773-I959 HydrophobicContact CE1-CD1 4.22Å; Y773-I959 HydrophobicContact CE2-CD1 4.27Å; Y773-I959 HydrophobicContact CG-CD1 3.6Å; N955-I959 WeakPolarHBondContact O-CD1 3.26Å; N955-I959 VanDerWaalsContact O-CG1 3.29Å; N955-I959 WeakPolarHBondContact O-CG1 3.5Å; N955-I959 PolarHBondContact O-N 3.43Å; W956-I959 HydrophobicContact CE3-CB 4.45Å; W956-I959 HydrophobicContact CE3-CD1 4.5Å; W956-I959 HydrophobicContact CE3-CG2 4.15Å; W956-I959 HydrophobicContact CZ3-CG2 4.12Å; W956-I959 WeakPolarHBondContact O-CB 3.21Å; W956-I959 PolarHBondContact O-N 3.24Å; I959-E961 VanDerWaalsContact C-N 3.28Å; I959-F966 HydrophobicContact CD1-CE1 4.43Å; I959-F966 HydrophobicContact CD1-CZ 4.38Å; I959-F966 HydrophobicContact CG1-CE1 3.96Å; I959-F966 HydrophobicContact CG1-CZ 3.81Å
960M85.7Confident86.4Confident6 Ų640.5 Ų40.53%0.0321%0.21CC..Hα-helixtrans-78.4-17.3-178.9-71.9-62-72.700112.8H621 R802 P882 W956 D957 E958H621-M960 WeakPolarHBondContact ND1-CE 3.46Å; R802-M960 VanDerWaalsContact NH1-CE 3.3Å; R802-M960 PolarHBondContact NH1-O 3.49Å; P882-M960 HydrophobicContact CB-CB 3.38Å; P882-M960 HydrophobicContact CG-CB 4.23Å; W956-M960 HydrophobicContact CD2-CG 4Å; W956-M960 VanDerWaalsContact CE2-CG 3.41Å; W956-M960 HydrophobicContact CG-CG 4.48Å; W956-M960 HydrophobicContact CH2-CG 4.26Å; W956-M960 HydrophobicContact CH2-SD 3.82Å; W956-M960 HydrophobicContact CZ2-CE 4.34Å; W956-M960 HydrophobicContact CZ2-CG 3.58Å; W956-M960 HydrophobicContact CZ2-SD 3.44Å; W956-M960 WeakPolarHBondContact CZ2-SD 3.3Å; W956-M960 WeakPolarHBondContact O-CG 3.35Å; W956-M960 PolarHBondContact O-N 3.42Å; D957-M960 PolarHBondContact O-N 2.96Å; E958-M960 VanDerWaalsContact C-N 3.31Å; E958-M960 PolarHBondContact O-N 2.89Å
961E75.5Confident86.6Confident21 Ų2141.8 Ų41.810%0.09821%0.213CC..SBendtrans-79150.3164.7-68.5-168.517800110.9R879 P882 D957 E958 I959 T963R879-E961 IonicContact CZ-OE1 2.78Å; R879-E961 IonicContact CZ-OE2 2.78Å; R879-E961 IonicContact NE-OE1 2.84Å; R879-E961 PolarHBondContact NE-OE1 3.38Å; R879-E961 IonicContact NE-OE2 2.79Å; R879-E961 IonicContact NH1-OE1 2.61Å; R879-E961 PolarHBondContact NH1-OE1 2.96Å; R879-E961 IonicContact NH1-OE2 2.7Å; R879-E961 PolarHBondContact NH1-OE2 3.4Å; R879-E961 IonicContact NH2-OE1 2.69Å; R879-E961 PolarHBondContact NH2-OE1 2.92Å; R879-E961 IonicContact NH2-OE2 2.9Å; R879-E961 PolarHBondContact NH2-OE2 3.19Å; P882-E961 HydrophobicContact CB-CG 4.07Å; P882-E961 HydrophobicContact CG-CG 4.32Å; D957-E961 WeakPolarHBondContact O-CG 3.31Å; D957-E961 PolarHBondContact O-N 3.48Å; D957-E961 VanDerWaalsContact O-N 3.14Å; E958-E961 PolarHBondContact O-N 3.45Å; E958-E961 VanDerWaalsContact O-O 3.12Å; I959-E961 VanDerWaalsContact C-N 3.28Å; E961-T963 PolarHBondContact O-N 3.46Å
962S61.9Low86.6Confident88 Ų8841.3 Ų41.362%0.61521%0.211SC*.THydrogen-bonded Turntrans-68.6-8.2-173.251.40000114.8
963T71.2Confident86.6Confident83 Ų8342.5 Ų42.551%0.50922%0.218SC..THydrogen-bonded Turntrans-104.9-20.1-173.847.90000114.7E961 N965E961-T963 PolarHBondContact O-N 3.46Å; T963-N965 VanDerWaalsContact C-N 3.26Å; T963-N965 PolarHBondContact O-N 3.5Å
964A82.1Confident86.7Confident22 Ų2244.7 Ų44.718%0.18223%0.226CC..  trans43.649.7-174.800000113.2W604 E958 F966W604-A964 HydrophobicContact CH2-CB 3.57Å; W604-A964 HydrophobicContact CZ2-CB 3.93Å; W604-A964 HydrophobicContact CZ3-CB 4.41Å; E958-A964 VanDerWaalsContact O-CA 3.27Å; E958-A964 WeakPolarHBondContact O-CA 3.17Å; E958-A964 PolarHBondContact O-N 3.32Å; A964-F966 HydrophobicContact CB-CE2 4.24Å; A964-F966 HydrophobicContact CB-CZ 4.14Å; A964-F966 WeakPolarHBondContact O-CD2 3.42Å; A964-F966 PolarHBondContact O-N 2.67Å; A964-F966 VanDerWaalsContact O-N 3.1Å
965N86.5Confident87Confident32 Ų3243.5 Ų43.517%0.17122%0.224CC..  trans-86.182-172.8-174.84000110.8E958 T963 N967 Y968 E971E958-N965 PolarHBondContact OE2-N 3.36Å; T963-N965 VanDerWaalsContact C-N 3.26Å; T963-N965 PolarHBondContact O-N 3.5Å; N965-N967 PolarHBondContact O-N 3Å; N965-N967 VanDerWaalsContact O-N 3.08Å; N965-N967 PolarHBondContact OD1-N 2.84Å; N965-Y968 VanDerWaalsContact O-CB 3.23Å; N965-Y968 WeakPolarHBondContact O-CB 3.1Å; N965-Y968 PolarHBondContact O-N 3.4Å; N965-Y968 PolarHBondContact OD1-N 3.47Å; N965-E971 PolarHBondContact ND2-OE2 2.87Å
966F89.4Confident87.1Confident24 Ų2443.3 Ų43.311%0.10522%0.223CC..THydrogen-bonded Turntrans-65.2-12.7178.9-54.5-61.5000114.2Q584 P585 W604 N955 E958 I959 A964Q584-F966 HydrophobicContact CB-CB 4.43Å; Q584-F966 HydrophobicContact CB-CD2 4.42Å; Q584-F966 HydrophobicContact CG-CB 4.14Å; P585-F966 HydrophobicContact CB-CE1 4.09Å; P585-F966 HydrophobicContact CB-CE2 4Å; P585-F966 HydrophobicContact CB-CZ 3.65Å; P585-F966 HydrophobicContact CG-CD1 4.01Å; P585-F966 HydrophobicContact CG-CE1 3.59Å; P585-F966 HydrophobicContact CG-CE2 4.21Å; P585-F966 HydrophobicContact CG-CZ 3.7Å; W604-F966 HydrophobicContact CE3-CE2 4.19Å; W604-F966 AromaticContact CE3-CZ 3.92Å; W604-F966 HydrophobicContact CE3-CZ 3.92Å; W604-F966 HydrophobicContact CH2-CE2 4.23Å; W604-F966 HydrophobicContact CH2-CZ 4.26Å; W604-F966 AromaticContact CZ3-CE2 3.58Å; W604-F966 HydrophobicContact CZ3-CE2 3.58Å; W604-F966 AromaticContact CZ3-CZ 3.67Å; W604-F966 HydrophobicContact CZ3-CZ 3.67Å; N955-F966 HydrophobicContact CB-CD1 4.48Å; N955-F966 HydrophobicContact CB-CE1 4.29Å; E958-F966 HydrophobicContact CB-CD1 4.16Å; E958-F966 HydrophobicContact CB-CE1 4.1Å; I959-F966 HydrophobicContact CD1-CE1 4.43Å; I959-F966 HydrophobicContact CD1-CZ 4.38Å; I959-F966 HydrophobicContact CG1-CE1 3.96Å; I959-F966 HydrophobicContact CG1-CZ 3.81Å; A964-F966 HydrophobicContact CB-CE2 4.24Å; A964-F966 HydrophobicContact CB-CZ 4.14Å; A964-F966 WeakPolarHBondContact O-CD2 3.42Å; A964-F966 PolarHBondContact O-N 2.67Å; A964-F966 VanDerWaalsContact O-N 3.1Å
967N88.7Confident87.1Confident56 Ų5647 Ų4730%0.29925%0.249SC..THydrogen-bonded Turntrans-94.67.9174.2-65.3-15.5000113.1Q584 N965 R969 E970 E971Q584-N967 PolarHBondContact NE2-OD1 3Å; N965-N967 PolarHBondContact O-N 3Å; N965-N967 VanDerWaalsContact O-N 3.08Å; N965-N967 PolarHBondContact OD1-N 2.84Å; N967-R969 PolarHBondContact O-N 3.43Å; N967-R969 VanDerWaalsContact O-N 3.13Å; N967-E970 WeakPolarHBondContact O-CB 3.22Å; N967-E970 PolarHBondContact O-N 3.16Å; N967-E970 PolarHBondContact OD1-OE2 3.38Å; N967-E971 PolarHBondContact O-N 2.86Å
968Y87.9Confident87.6Confident21 Ų2148.4 Ų48.48%0.08226%0.26CS..Hα-helixtrans-51.3-41.3-175.7177.2-98.5000113.2I842 Q845 K849 N965 E970 E971 C972I842-Y968 HydrophobicContact CD1-CD2 4.21Å; I842-Y968 HydrophobicContact CD1-CE2 4.48Å; I842-Y968 HydrophobicContact CG1-CD2 4.43Å; I842-Y968 HydrophobicContact CG1-CE2 4.21Å; I842-Y968 HydrophobicContact CG2-CD2 4.46Å; I842-Y968 HydrophobicContact CG2-CE2 4.07Å; Q845-Y968 PolarHBondContact OE1-OH 2.93Å; K849-Y968 WeakPolarHBondContact CE-OH 3.31Å; N965-Y968 VanDerWaalsContact O-CB 3.23Å; N965-Y968 WeakPolarHBondContact O-CB 3.1Å; N965-Y968 PolarHBondContact O-N 3.4Å; N965-Y968 PolarHBondContact OD1-N 3.47Å; Y968-E970 PolarHBondContact O-N 3.26Å; Y968-E971 PolarHBondContact O-N 3.08Å; Y968-C972 VanDerWaalsContact CE1-SG 3.57Å; Y968-C972 VanDerWaalsContact CZ-SG 3.6Å; Y968-C972 WeakPolarHBondContact O-CB 3.41Å; Y968-C972 PolarHBondContact O-N 2.87Å; Y968-C972 PolarHBondContact O-SG 3.49Å; Y968-C972 VanDerWaalsContact O-SG 3.35Å
969R88.3Confident87.9Confident66 Ų6648 Ų4825%0.24926%0.258CS..Hα-helixtrans-61-44.4176.7-76.1-178.6171175.12.7112.1H941 D945 N967 C972 V973H941-R969 WeakPolarHBondContact O-CD 3.22Å; D945-R969 IonicContact OD1-CZ 2.98Å; D945-R969 IonicContact OD1-NH1 3.34Å; D945-R969 PolarHBondContact OD1-NH1 2.84Å; D945-R969 IonicContact OD1-NH2 3.04Å; D945-R969 PolarHBondContact OD1-NH2 2.93Å; D945-R969 IonicContact OD2-NH1 3.28Å; N967-R969 PolarHBondContact O-N 3.43Å; N967-R969 VanDerWaalsContact O-N 3.13Å; R969-C972 WeakPolarHBondContact O-CB 3.36Å; R969-C972 PolarHBondContact O-N 3.09Å; R969-V973 WeakPolarHBondContact O-CG2 3.49Å; R969-V973 PolarHBondContact O-N 3.25Å
970E90.3Very high88.2Confident109 Ų10950.8 Ų50.851%0.50928%0.277SS..Hα-helixtrans-67.4-38.5-179.6-59.7167.3174.200111.5N967 Y968 V973 K974N967-E970 WeakPolarHBondContact O-CB 3.22Å; N967-E970 PolarHBondContact O-N 3.16Å; N967-E970 PolarHBondContact OD1-OE2 3.38Å; Y968-E970 PolarHBondContact O-N 3.26Å; E970-V973 PolarHBondContact O-N 2.77Å; E970-K974 WeakPolarHBondContact O-CG 3.37Å; E970-K974 PolarHBondContact O-N 3.48Å; E970-K974 VanDerWaalsContact O-N 3.14Å
971E91.8Very high88.6Confident72 Ų7251.2 Ų51.234%0.33628%0.278SS..Hα-helixtrans-66.5-42.2173.9-68.3-173.9165.600111.7I842 N965 N967 Y968 V973 K974 I975I842-E971 WeakPolarHBondContact CD1-OE2 3.37Å; N965-E971 PolarHBondContact ND2-OE2 2.87Å; N967-E971 PolarHBondContact O-N 2.86Å; Y968-E971 PolarHBondContact O-N 3.08Å; E971-V973 VanDerWaalsContact C-N 3.33Å; E971-V973 PolarHBondContact O-N 2.84Å; E971-K974 PolarHBondContact O-N 3.36Å; E971-I975 WeakPolarHBondContact O-CG1 3.26Å; E971-I975 PolarHBondContact O-N 3.27Å
972C92.9Very high89.4Confident0 Ų053.1 Ų53.10%029%0.287CS..Hα-helixtrans-58.3-44.3173.3-76.30000111.8C846 Y968 R969 I975 L976C846-C972 VanDerWaalsContact SG-SG 3.62Å; Y968-C972 VanDerWaalsContact CE1-SG 3.57Å; Y968-C972 VanDerWaalsContact CZ-SG 3.6Å; Y968-C972 WeakPolarHBondContact O-CB 3.41Å; Y968-C972 PolarHBondContact O-N 2.87Å; Y968-C972 PolarHBondContact O-SG 3.49Å; Y968-C972 VanDerWaalsContact O-SG 3.35Å; R969-C972 WeakPolarHBondContact O-CB 3.36Å; R969-C972 PolarHBondContact O-N 3.09Å; C972-I975 PolarHBondContact O-N 3.28Å; C972-L976 WeakPolarHBondContact O-CB 3.45Å; C972-L976 WeakPolarHBondContact O-CD1 3.48Å; C972-L976 WeakPolarHBondContact O-CG 3.43Å; C972-L976 PolarHBondContact O-N 2.76Å
973V93.4Very high90.9Very high26 Ų2650.3 Ų50.316%0.15827%0.268CS..Hα-helixtrans-58.6-49.6177.9168.10000111.1I938 H941 Q942 R969 E970 E971 I975 L976 S977I938-V973 HydrophobicContact CG2-CG1 3.85Å; I938-V973 HydrophobicContact CG2-CG2 4.2Å; H941-V973 HydrophobicContact CB-CG2 3.8Å; Q942-V973 HydrophobicContact CG-CG2 3.79Å; R969-V973 WeakPolarHBondContact O-CG2 3.49Å; R969-V973 PolarHBondContact O-N 3.25Å; E970-V973 PolarHBondContact O-N 2.77Å; E971-V973 VanDerWaalsContact C-N 3.33Å; E971-V973 PolarHBondContact O-N 2.84Å; V973-I975 VanDerWaalsContact C-N 3.28Å; V973-I975 PolarHBondContact O-N 3.3Å; V973-L976 PolarHBondContact O-N 3.09Å; V973-S977 PolarHBondContact O-N 3.43Å; V973-S977 VanDerWaalsContact O-N 3.11Å; V973-S977 PolarHBondContact O-OG 3.11Å
974K94.7Very high92.1Very high147 Ų14746.3 Ų46.364%0.63924%0.243SC*.Hα-helixtrans-60.1-36.5178.2-71.2173.3-177174.20112.8E970 E971 S977 T978E970-K974 WeakPolarHBondContact O-CG 3.37Å; E970-K974 PolarHBondContact O-N 3.48Å; E970-K974 VanDerWaalsContact O-N 3.14Å; E971-K974 PolarHBondContact O-N 3.36Å; K974-S977 PolarHBondContact O-OG 3.21Å; K974-T978 WeakPolarHBondContact O-CG2 3.28Å
975I95.4Very high92.7Very high36 Ų3645.4 Ų45.419%0.18524%0.235CC..Hα-helixtrans-74-48.1178.5-71.9166.7000110.3I842 K843 C846 E971 C972 V973 S977 T978I842-I975 HydrophobicContact CB-CD1 3.98Å; I842-I975 HydrophobicContact CG2-CD1 3.6Å; K843-I975 HydrophobicContact CB-CG2 4.34Å; K843-I975 HydrophobicContact CG-CG2 4.21Å; C846-I975 HydrophobicContact CB-CG2 3.66Å; E971-I975 WeakPolarHBondContact O-CG1 3.26Å; E971-I975 PolarHBondContact O-N 3.27Å; C972-I975 PolarHBondContact O-N 3.28Å; V973-I975 VanDerWaalsContact C-N 3.28Å; V973-I975 PolarHBondContact O-N 3.3Å; I975-S977 VanDerWaalsContact C-N 3.26Å; I975-S977 PolarHBondContact O-N 2.9Å; I975-T978 PolarHBondContact O-N 2.87Å; I975-T978 PolarHBondContact O-OG1 3.28Å
976L95.4Very high93Very high0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-57.8-39.2-177.7-75.3167.5000111.8C846 L850 V934 L937 I938 C972 V973 T978 I979C846-L976 HydrophobicContact CB-CD2 3.94Å; C846-L976 HydrophobicContact CB-CG 4.21Å; L850-L976 HydrophobicContact CB-CD2 4.46Å; V934-L976 VanDerWaalsContact CG1-O 3.31Å; V934-L976 WeakPolarHBondContact CG1-O 3.39Å; L937-L976 HydrophobicContact CB-CD1 4.37Å; L937-L976 HydrophobicContact CD2-CD1 4.13Å; L937-L976 HydrophobicContact CD2-CD2 3.58Å; L937-L976 HydrophobicContact CG-CD1 3.79Å; L937-L976 HydrophobicContact CG-CD2 4.15Å; I938-L976 HydrophobicContact CD1-CB 4.09Å; I938-L976 HydrophobicContact CG1-CB 3.55Å; I938-L976 HydrophobicContact CG1-CD1 4.08Å; I938-L976 HydrophobicContact CG1-CG 4.47Å; C972-L976 WeakPolarHBondContact O-CB 3.45Å; C972-L976 WeakPolarHBondContact O-CD1 3.48Å; C972-L976 WeakPolarHBondContact O-CG 3.43Å; C972-L976 PolarHBondContact O-N 2.76Å; V973-L976 PolarHBondContact O-N 3.09Å; L976-T978 PolarHBondContact O-N 3.32Å; L976-T978 VanDerWaalsContact O-N 3.1Å; L976-I979 HydrophobicContact CD2-CD1 4.09Å; L976-I979 PolarHBondContact O-N 2.88Å; L976-I979 VanDerWaalsContact O-N 3.16Å
977S93.8Very high93.2Very high79 Ų7945.7 Ų45.755%0.55224%0.237SC*.THydrogen-bonded Turntrans-64.4-13.1177.462.10000114V973 K974 I975V973-S977 PolarHBondContact O-N 3.43Å; V973-S977 VanDerWaalsContact O-N 3.11Å; V973-S977 PolarHBondContact O-OG 3.11Å; K974-S977 PolarHBondContact O-OG 3.21Å; I975-S977 VanDerWaalsContact C-N 3.26Å; I975-S977 PolarHBondContact O-N 2.9Å
978T95.9Very high93.5Very high95 Ų9543 Ų4358%0.58322%0.223SC*.THydrogen-bonded Turntrans-99.7-9.1178.269.10000113.9K974 I975 L976 T980K974-T978 WeakPolarHBondContact O-CG2 3.28Å; I975-T978 PolarHBondContact O-N 2.87Å; I975-T978 PolarHBondContact O-OG1 3.28Å; L976-T978 PolarHBondContact O-N 3.32Å; L976-T978 VanDerWaalsContact O-N 3.1Å; T978-T980 PolarHBondContact O-N 3.49Å
979I95.5Very high93.7Very high9 Ų942.2 Ų42.25%0.04622%0.22CC..  trans-77.6124.5-175-58.8-177.7000110C846 Y847 L850 F930 L976 L984C846-I979 HydrophobicContact CB-CD1 4.21Å; Y847-I979 HydrophobicContact CD1-CD1 4.45Å; Y847-I979 HydrophobicContact CD1-CG2 4.31Å; Y847-I979 HydrophobicContact CD2-CD1 4.13Å; Y847-I979 HydrophobicContact CE1-CD1 4.44Å; Y847-I979 HydrophobicContact CE1-CG2 3.74Å; Y847-I979 HydrophobicContact CE2-CD1 4.1Å; Y847-I979 HydrophobicContact CE2-CG1 4.2Å; Y847-I979 HydrophobicContact CG-CD1 4.27Å; L850-I979 HydrophobicContact CD2-CB 4.34Å; L850-I979 HydrophobicContact CD2-CD1 4.32Å; L850-I979 HydrophobicContact CD2-CG2 3.84Å; F930-I979 WeakPolarHBondContact CE1-O 3.45Å; F930-I979 HydrophobicContact CZ-CG2 4.32Å; L976-I979 HydrophobicContact CD2-CD1 4.09Å; L976-I979 PolarHBondContact O-N 2.88Å; L976-I979 VanDerWaalsContact O-N 3.16Å; I979-L984 HydrophobicContact CG2-CB 4.23Å
980T95.1Very high93.8Very high75 Ų7540.8 Ų40.846%0.4622%0.219SC..  trans-98155.8171.2690000111.3F930 T978 E982 S983 L984F930-T980 VanDerWaalsContact CZ-C 3.47Å; T978-T980 PolarHBondContact O-N 3.49Å; T980-E982 VanDerWaalsContact C-N 3.27Å; T980-E982 PolarHBondContact O-N 2.83Å; T980-S983 PolarHBondContact N-OG 2.95Å; T980-S983 VanDerWaalsContact N-OG 3.12Å; T980-S983 PolarHBondContact O-N 3.01Å; T980-S983 VanDerWaalsContact O-N 3.08Å; T980-S983 PolarHBondContact O-OG 3.16Å; T980-S983 WeakPolarHBondContact OG1-CB 3.38Å; T980-S983 PolarHBondContact OG1-N 2.95Å; T980-S983 VanDerWaalsContact OG1-N 3.14Å; T980-S983 PolarHBondContact OG1-OG 2.86Å; T980-L984 PolarHBondContact O-N 2.72Å
981Q94.4Very high93.9Very high14 Ų1437.4 Ų37.47%0.06520%0.203CC..Hα-helixtrans-55-42.3175.9-174.51794.100112I922 M925 F930 L984 L985 F1065I922-Q981 PolarHBondContact O-NE2 2.78Å; M925-Q981 PolarHBondContact O-NE2 2.94Å; F930-Q981 HydrophobicContact CD1-CB 4.04Å; F930-Q981 HydrophobicContact CD2-CB 3.95Å; F930-Q981 HydrophobicContact CD2-CG 4.14Å; F930-Q981 HydrophobicContact CE1-CB 4.16Å; F930-Q981 VanDerWaalsContact CE1-N 3.32Å; F930-Q981 HydrophobicContact CE2-CB 4.07Å; F930-Q981 HydrophobicContact CG-CB 3.94Å; F930-Q981 HydrophobicContact CG-CG 4.35Å; F930-Q981 HydrophobicContact CZ-CB 4.19Å; F930-Q981 VanDerWaalsContact CZ-N 3.27Å; Q981-L984 PolarHBondContact O-N 2.97Å; Q981-L985 PolarHBondContact O-N 2.99Å; Q981-F1065 HydrophobicContact CB-CZ 4.21Å; Q981-F1065 HydrophobicContact CG-CE1 4.35Å; Q981-F1065 HydrophobicContact CG-CE2 4.33Å; Q981-F1065 HydrophobicContact CG-CZ 3.82Å
982E92.6Very high93.9Very high61 Ų6134 Ų3429%0.28519%0.187SC..Hα-helixtrans-62.7-44.1175.6-177.9176.7-17800111.7T980 L984 L985 N986 F1065T980-E982 VanDerWaalsContact C-N 3.27Å; T980-E982 PolarHBondContact O-N 2.83Å; E982-L984 VanDerWaalsContact C-N 3.31Å; E982-L984 PolarHBondContact O-N 3.33Å; E982-L985 PolarHBondContact O-N 2.96Å; E982-N986 WeakPolarHBondContact O-CB 3.47Å; E982-N986 VanDerWaalsContact O-CG 3.31Å; E982-N986 PolarHBondContact O-N 3.28Å; E982-N986 PolarHBondContact O-ND2 3.01Å; E982-F1065 HydrophobicContact CB-CZ 4.33Å
983S94.5Very high93.7Very high29 Ų2934.4 Ų34.420%0.20319%0.189CC..Hα-helixtrans-64.9-36.1177.878.90000112.3Y847 T980 F987Y847-S983 WeakPolarHBondContact CE1-O 3.38Å; Y847-S983 WeakPolarHBondContact OH-CB 3.39Å; Y847-S983 PolarHBondContact OH-OG 3.4Å; T980-S983 PolarHBondContact N-OG 2.95Å; T980-S983 VanDerWaalsContact N-OG 3.12Å; T980-S983 PolarHBondContact O-N 3.01Å; T980-S983 VanDerWaalsContact O-N 3.08Å; T980-S983 PolarHBondContact O-OG 3.16Å; T980-S983 WeakPolarHBondContact OG1-CB 3.38Å; T980-S983 PolarHBondContact OG1-N 2.95Å; T980-S983 VanDerWaalsContact OG1-N 3.14Å; T980-S983 PolarHBondContact OG1-OG 2.86Å; S983-F987 WeakPolarHBondContact O-CB 3.47Å; S983-F987 PolarHBondContact O-N 3.23Å
984L95.4Very high93.3Very high0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-68.4-45178.1-17568.7000111.2Y847 L850 L851 I854 I922 F930 I979 T980 Q981 E982 F987 F988Y847-L984 HydrophobicContact CD1-CB 4.46Å; Y847-L984 HydrophobicContact CD1-CD1 3.59Å; Y847-L984 HydrophobicContact CE1-CB 4.42Å; Y847-L984 HydrophobicContact CE1-CD1 4.32Å; Y847-L984 HydrophobicContact CG-CD1 4.44Å; L850-L984 HydrophobicContact CB-CD1 4.41Å; L850-L984 HydrophobicContact CD2-CD1 4.17Å; L850-L984 HydrophobicContact CD2-CD2 3.92Å; L850-L984 HydrophobicContact CG-CD1 4.4Å; L850-L984 HydrophobicContact CG-CD2 4.03Å; L851-L984 HydrophobicContact CD2-CD1 3.73Å; L851-L984 HydrophobicContact CD2-CD2 4.1Å; L851-L984 HydrophobicContact CD2-CG 3.79Å; L851-L984 HydrophobicContact CG-CD1 3.69Å; L851-L984 HydrophobicContact CG-CG 4.32Å; I854-L984 HydrophobicContact CD1-CD2 3.7Å; I922-L984 HydrophobicContact CG2-CD2 4.31Å; F930-L984 HydrophobicContact CE2-CB 4.43Å; F930-L984 HydrophobicContact CE2-CD2 3.74Å; I979-L984 HydrophobicContact CG2-CB 4.23Å; T980-L984 PolarHBondContact O-N 2.72Å; Q981-L984 PolarHBondContact O-N 2.97Å; E982-L984 VanDerWaalsContact C-N 3.31Å; E982-L984 PolarHBondContact O-N 3.33Å; L984-F987 PolarHBondContact O-N 3.1Å; L984-F988 PolarHBondContact O-N 3.05Å
985L94.4Very high92.8Very high2 Ų230.9 Ų30.91%0.0118%0.178CC..Hα-helixtrans-62-48175.7-179.261.3000111P919 I922 A923 Q981 E982 F987 F988 L989 F1065 M1066P919-L985 HydrophobicContact CB-CD1 4.21Å; I922-L985 HydrophobicContact CB-CD1 4.29Å; I922-L985 HydrophobicContact CG2-CB 3.98Å; I922-L985 HydrophobicContact CG2-CD1 4.25Å; A923-L985 HydrophobicContact CB-CD2 4.03Å; Q981-L985 PolarHBondContact O-N 2.99Å; E982-L985 PolarHBondContact O-N 2.96Å; L985-F987 VanDerWaalsContact C-N 3.3Å; L985-F987 PolarHBondContact O-N 3.16Å; L985-F988 WeakPolarHBondContact O-CB 3.42Å; L985-F988 PolarHBondContact O-N 2.95Å; L985-F988 VanDerWaalsContact O-N 3.09Å; L985-L989 HydrophobicContact CD1-CD1 4.41Å; L985-L989 HydrophobicContact CD1-CD2 4.47Å; L985-L989 HydrophobicContact CD1-CG 4.22Å; L985-L989 HydrophobicContact CG-CD1 4.17Å; L985-L989 HydrophobicContact CG-CG 4.37Å; L985-L989 WeakPolarHBondContact O-CG 3.44Å; L985-L989 PolarHBondContact O-N 3.09Å; L985-F1065 HydrophobicContact CD2-CD1 3.95Å; L985-F1065 HydrophobicContact CD2-CE1 3.81Å; L985-M1066 HydrophobicContact CD2-CG 4.06Å
986N93Very high92.3Very high39 Ų3936.9 Ų36.921%0.20920%0.203CC..Hα-helixtrans-60.9-39.6178.2-75.7-24.3000112.2E982 T990E982-N986 WeakPolarHBondContact O-CB 3.47Å; E982-N986 VanDerWaalsContact O-CG 3.31Å; E982-N986 PolarHBondContact O-N 3.28Å; E982-N986 PolarHBondContact O-ND2 3.01Å; N986-T990 WeakPolarHBondContact O-CB 3.43Å; N986-T990 PolarHBondContact O-N 2.78Å; N986-T990 PolarHBondContact O-OG1 3.12Å
987F94.7Very high91.9Very high23 Ų2340.9 Ų40.910%0.10122%0.22CC..Hα-helixtrans-59.7-47172.6173.2-95.1000111.3L837 Q844 Y847 N848 L851 S983 L984 L985 T990 E991 Y992L837-F987 HydrophobicContact CD1-CE2 4.43Å; L837-F987 HydrophobicContact CD1-CZ 4.25Å; L837-F987 HydrophobicContact CD2-CE2 4.38Å; L837-F987 HydrophobicContact CD2-CZ 4.02Å; Q844-F987 HydrophobicContact CB-CE2 4.45Å; Q844-F987 HydrophobicContact CG-CE2 4.15Å; Y847-F987 HydrophobicContact CD1-CB 3.64Å; Y847-F987 AromaticContact CD1-CD1 3.9Å; Y847-F987 HydrophobicContact CD1-CD1 3.9Å; Y847-F987 HydrophobicContact CD1-CD2 4.3Å; Y847-F987 AromaticContact CD1-CG 3.68Å; Y847-F987 HydrophobicContact CD1-CG 3.68Å; Y847-F987 HydrophobicContact CE1-CB 3.97Å; Y847-F987 HydrophobicContact CE1-CG 4.42Å; Y847-F987 HydrophobicContact CG-CB 4.3Å; Y847-F987 HydrophobicContact CG-CD1 4Å; Y847-F987 HydrophobicContact CG-CD2 4.11Å; Y847-F987 HydrophobicContact CG-CE1 4.37Å; Y847-F987 HydrophobicContact CG-CE2 4.47Å; Y847-F987 AromaticContact CG-CG 3.86Å; Y847-F987 HydrophobicContact CG-CG 3.86Å; N848-F987 WeakPolarHBondContact OD1-CE1 3.28Å; L851-F987 HydrophobicContact CD1-CD1 3.91Å; L851-F987 HydrophobicContact CD1-CE1 3.83Å; S983-F987 WeakPolarHBondContact O-CB 3.47Å; S983-F987 PolarHBondContact O-N 3.23Å; L984-F987 PolarHBondContact O-N 3.1Å; L985-F987 VanDerWaalsContact C-N 3.3Å; L985-F987 PolarHBondContact O-N 3.16Å; F987-T990 PolarHBondContact O-N 2.75Å; F987-E991 HydrophobicContact CD2-CG 3.79Å; F987-E991 HydrophobicContact CE2-CB 4.36Å; F987-E991 HydrophobicContact CE2-CG 3.67Å; F987-E991 HydrophobicContact CG-CG 4.48Å; F987-E991 HydrophobicContact CZ-CB 4.5Å; F987-E991 HydrophobicContact CZ-CG 4.28Å; F987-E991 WeakPolarHBondContact O-CB 3.43Å; F987-E991 PolarHBondContact O-N 2.9Å; F987-Y992 AromaticContact CE1-CE2 3.99Å; F987-Y992 HydrophobicContact CE1-CE2 3.99Å
988F94.1Very high91.7Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-60-50.7177.6-173.4-83.1000112.2L851 L855 W914 A918 P919 I922 L984 L985 T990 Y992 L993L851-F988 HydrophobicContact CD1-CD2 3.91Å; L851-F988 HydrophobicContact CD2-CB 4.36Å; L851-F988 HydrophobicContact CD2-CD2 3.85Å; L855-F988 HydrophobicContact CD1-CE2 4.25Å; W914-F988 HydrophobicContact CD2-CE2 4.33Å; W914-F988 HydrophobicContact CD2-CZ 4.04Å; W914-F988 AromaticContact CE2-CE2 3.89Å; W914-F988 AromaticContact CE2-CZ 3.7Å; W914-F988 HydrophobicContact CE3-CE2 4.34Å; W914-F988 HydrophobicContact CE3-CZ 4.39Å; W914-F988 HydrophobicContact CH2-CD2 4.46Å; W914-F988 AromaticContact CH2-CE2 3.58Å; W914-F988 HydrophobicContact CH2-CE2 3.58Å; W914-F988 HydrophobicContact CH2-CZ 4.23Å; W914-F988 HydrophobicContact CZ2-CD2 4.42Å; W914-F988 AromaticContact CZ2-CE2 3.53Å; W914-F988 HydrophobicContact CZ2-CE2 3.53Å; W914-F988 AromaticContact CZ2-CZ 3.84Å; W914-F988 HydrophobicContact CZ2-CZ 3.84Å; W914-F988 AromaticContact CZ3-CE2 3.98Å; W914-F988 HydrophobicContact CZ3-CE2 3.98Å; W914-F988 HydrophobicContact CZ3-CZ 4.47Å; W914-F988 AromaticContact NE1-CZ 3.98Å; W914-F988 WeakPolarHBondContact O-CZ 3.01Å; A918-F988 HydrophobicContact CB-CE2 4.43Å; A918-F988 HydrophobicContact CB-CZ 4.05Å; P919-F988 HydrophobicContact CB-CD1 4.07Å; P919-F988 HydrophobicContact CB-CE1 3.99Å; P919-F988 HydrophobicContact CG-CE1 4.12Å; I922-F988 HydrophobicContact CD1-CB 4.29Å; I922-F988 HydrophobicContact CD1-CD2 4.05Å; I922-F988 HydrophobicContact CD1-CG 4.15Å; L984-F988 PolarHBondContact O-N 3.05Å; L985-F988 WeakPolarHBondContact O-CB 3.42Å; L985-F988 PolarHBondContact O-N 2.95Å; L985-F988 VanDerWaalsContact O-N 3.09Å; F988-T990 VanDerWaalsContact C-N 3.35Å; F988-T990 PolarHBondContact O-N 3.17Å; F988-Y992 HydrophobicContact CD2-CD2 4.23Å; F988-Y992 WeakPolarHBondContact O-CB 3.32Å; F988-Y992 PolarHBondContact O-N 3.21Å; F988-L993 HydrophobicContact CD1-CD1 4.11Å; F988-L993 HydrophobicContact CD1-CG 4.29Å; F988-L993 HydrophobicContact CE1-CD1 3.76Å; F988-L993 HydrophobicContact CE1-CD2 4.39Å; F988-L993 HydrophobicContact CE1-CG 3.93Å
989L92Very high91.5Very high4 Ų436.8 Ų36.82%0.02118%0.182CC..Iπ-helixtrans-60.5-45.7-179.7-64.2179.2000111.2P919 L985 L993 D994P919-L989 HydrophobicContact CB-CD2 4.19Å; L985-L989 HydrophobicContact CD1-CD1 4.41Å; L985-L989 HydrophobicContact CD1-CD2 4.47Å; L985-L989 HydrophobicContact CD1-CG 4.22Å; L985-L989 HydrophobicContact CG-CD1 4.17Å; L985-L989 HydrophobicContact CG-CG 4.37Å; L985-L989 WeakPolarHBondContact O-CG 3.44Å; L985-L989 PolarHBondContact O-N 3.09Å; L989-L993 HydrophobicContact CD2-CD1 3.86Å; L989-L993 CarbonylContact O-C 3.58Å; L989-L993 WeakPolarHBondContact O-CA 3.4Å; L989-L993 WeakPolarHBondContact O-CB 3.22Å; L989-L993 PolarHBondContact O-N 3Å; L989-D994 PolarHBondContact O-N 2.8Å
990T91Very high91.3Very high37 Ų3736.3 Ų36.323%0.22718%0.18CC..Iπ-helixtrans-72.7-46.3-174.6-57.20000112.4N986 F987 F988 D994 K997N986-T990 WeakPolarHBondContact O-CB 3.43Å; N986-T990 PolarHBondContact O-N 2.78Å; N986-T990 PolarHBondContact O-OG1 3.12Å; F987-T990 PolarHBondContact O-N 2.75Å; F988-T990 VanDerWaalsContact C-N 3.35Å; F988-T990 PolarHBondContact O-N 3.17Å; T990-D994 VanDerWaalsContact O-CB 3.26Å; T990-D994 WeakPolarHBondContact O-CB 3.46Å; T990-K997 HydrophobicContact CG2-CD 3.72Å; T990-K997 WeakPolarHBondContact O-CB 3.42Å; T990-K997 VanDerWaalsContact O-CD 3.23Å; T990-K997 WeakPolarHBondContact O-CD 3.35Å
991E91.2Very high91.2Very high38 Ų3832.9 Ų32.918%0.17816%0.159CC..Iπ-helixtrans-88.5-26.4-171.9-60-56.8142.500112.8L837 F987 K997L837-E991 HydrophobicContact CD1-CB 3.63Å; L837-E991 HydrophobicContact CD1-CG 3.82Å; F987-E991 HydrophobicContact CD2-CG 3.79Å; F987-E991 HydrophobicContact CE2-CB 4.36Å; F987-E991 HydrophobicContact CE2-CG 3.67Å; F987-E991 HydrophobicContact CG-CG 4.48Å; F987-E991 HydrophobicContact CZ-CB 4.5Å; F987-E991 HydrophobicContact CZ-CG 4.28Å; F987-E991 WeakPolarHBondContact O-CB 3.43Å; F987-E991 PolarHBondContact O-N 2.9Å; E991-K997 IonicContact OE1-NZ 3.58Å; E991-K997 PolarHBondContact OE1-NZ 2.56Å; E991-K997 IonicContact OE2-NZ 2.65Å
992Y91.7Very high91.3Very high0 Ų032.2 Ų32.20%016%0.155CC..Iπ-helixtrans-114.9-15.4-174.1-65.8-56.7000116.2H835 N848 L851 I890 W914 F987 F988 Q998H835-Y992 HydrophobicContact CB-CD1 3.65Å; H835-Y992 HydrophobicContact CB-CE1 3.51Å; N848-Y992 VanDerWaalsContact CG-OH 3.3Å; N848-Y992 PolarHBondContact ND2-OH 3.46Å; N848-Y992 VanDerWaalsContact ND2-OH 3.15Å; N848-Y992 WeakPolarHBondContact OD1-CE2 3.23Å; N848-Y992 PolarHBondContact OD1-OH 3.48Å; L851-Y992 HydrophobicContact CD1-CD2 4.41Å; L851-Y992 HydrophobicContact CD1-CE2 4.05Å; I890-Y992 HydrophobicContact CD1-CE2 4.23Å; W914-Y992 HydrophobicContact CH2-CD2 4.46Å; W914-Y992 HydrophobicContact CZ2-CD1 4.15Å; W914-Y992 AromaticContact CZ2-CD2 3.91Å; W914-Y992 HydrophobicContact CZ2-CD2 3.91Å; W914-Y992 HydrophobicContact CZ2-CE2 4.46Å; W914-Y992 AromaticContact CZ2-CG 3.73Å; W914-Y992 HydrophobicContact CZ2-CG 3.73Å; F987-Y992 AromaticContact CE1-CE2 3.99Å; F987-Y992 HydrophobicContact CE1-CE2 3.99Å; F988-Y992 HydrophobicContact CD2-CD2 4.23Å; F988-Y992 WeakPolarHBondContact O-CB 3.32Å; F988-Y992 PolarHBondContact O-N 3.21Å; Y992-Q998 VanDerWaalsContact O-CD 3.26Å; Y992-Q998 VanDerWaalsContact O-CG 3.26Å; Y992-Q998 WeakPolarHBondContact O-CG 3.41Å; Y992-Q998 PolarHBondContact O-OE1 2.86Å
993L88.9Confident91.4Very high9 Ų929.3 Ų29.35%0.04714%0.142CC..Iπ-helixtrans-121.9-22.8-179.8-61.7-175.9000114.6R915 P919 F988 L989 V995 L1084R915-L993 HydrophobicContact CB-CD2 4.15Å; R915-L993 HydrophobicContact CG-CD2 3.96Å; P919-L993 HydrophobicContact CG-CD1 4.31Å; F988-L993 HydrophobicContact CD1-CD1 4.11Å; F988-L993 HydrophobicContact CD1-CG 4.29Å; F988-L993 HydrophobicContact CE1-CD1 3.76Å; F988-L993 HydrophobicContact CE1-CD2 4.39Å; F988-L993 HydrophobicContact CE1-CG 3.93Å; L989-L993 HydrophobicContact CD2-CD1 3.86Å; L989-L993 CarbonylContact O-C 3.58Å; L989-L993 WeakPolarHBondContact O-CA 3.4Å; L989-L993 WeakPolarHBondContact O-CB 3.22Å; L989-L993 PolarHBondContact O-N 3Å; L993-V995 PolarHBondContact O-N 3.44Å; L993-L1084 HydrophobicContact CB-CD2 3.75Å
994D85.8Confident91.4Very high46 Ų4628.2 Ų28.225%0.24613%0.134CC..  trans-63.1119.1173-176.9-14.4000109.8L989 T990 K996 K997 Q998L989-D994 PolarHBondContact O-N 2.8Å; T990-D994 VanDerWaalsContact O-CB 3.26Å; T990-D994 WeakPolarHBondContact O-CB 3.46Å; D994-K996 PolarHBondContact O-N 3.25Å; D994-K996 WeakPolarHBondContact OD1-CB 3.45Å; D994-K996 PolarHBondContact OD1-N 2.76Å; D994-K997 HydrophobicContact CB-CB 4.39Å; D994-K997 PolarHBondContact O-N 3.4Å; D994-Q998 WeakPolarHBondContact O-CB 3.39Å; D994-Q998 PolarHBondContact O-N 3.45Å
995V83.3Confident91.4Very high53 Ų5328.2 Ų28.232%0.32113%0.134SC..THydrogen-bonded Turntrans-53.4-27.9179.9-176.20000112.4L993 T1098L993-V995 PolarHBondContact O-N 3.44Å; V995-T1098 HydrophobicContact CG1-CG2 3.32Å
996K85.6Confident91.3Very high162 Ų16228.9 Ų28.970%0.70414%0.137SC*.THydrogen-bonded Turntrans-81.1-14.8179-62.5175.8-175.3165.80114P812 D994P812-K996 WeakPolarHBondContact CG-O 3.33Å; D994-K996 PolarHBondContact O-N 3.25Å; D994-K996 WeakPolarHBondContact OD1-CB 3.45Å; D994-K996 PolarHBondContact OD1-N 2.76Å
997K87.6Confident91Very high83 Ų8327.6 Ų27.636%0.36113%0.131SC..THydrogen-bonded Turntrans-121.4-35.9-175.6-74.6-176.7163.4-165.80113.4T990 E991 D994 R999T990-K997 HydrophobicContact CG2-CD 3.72Å; T990-K997 WeakPolarHBondContact O-CB 3.42Å; T990-K997 VanDerWaalsContact O-CD 3.23Å; T990-K997 WeakPolarHBondContact O-CD 3.35Å; E991-K997 IonicContact OE1-NZ 3.58Å; E991-K997 PolarHBondContact OE1-NZ 2.56Å; E991-K997 IonicContact OE2-NZ 2.65Å; D994-K997 HydrophobicContact CB-CB 4.39Å; D994-K997 PolarHBondContact O-N 3.4Å; K997-R999 PolarHBondContact O-N 3.07Å
998Q88.6Confident90.4Very high9 Ų930.9 Ų30.94%0.04215%0.148CC..  trans-53124.1-174.4176.6-177.2-9.100110.8P812 G813 T814 Y992 D994P812-Q998 CarbonylContact C-O 2.98Å; P812-Q998 VanDerWaalsContact CA-O 3.29Å; P812-Q998 WeakPolarHBondContact CA-O 3.42Å; G813-Q998 PolarHBondContact N-O 3.28Å; T814-Q998 PolarHBondContact OG1-NE2 3.47Å; Y992-Q998 VanDerWaalsContact O-CD 3.26Å; Y992-Q998 VanDerWaalsContact O-CG 3.26Å; Y992-Q998 WeakPolarHBondContact O-CG 3.41Å; Y992-Q998 PolarHBondContact O-OE1 2.86Å; D994-Q998 WeakPolarHBondContact O-CB 3.39Å; D994-Q998 PolarHBondContact O-N 3.45Å
999R91.6Very high89.7Confident79 Ų7933.1 Ų33.130%0.29817%0.167SC..EExtended strand (participates in β ladder)trans-125121.7169.5-66.3163.5-177.8151.11.7108.2L810 G813 L836 K997L810-R999 WeakPolarHBondContact O-CD 3.21Å; L810-R999 PolarHBondContact O-NE 3.29Å; G813-R999 WeakPolarHBondContact O-CA 3.01Å; L836-R999 HydrophobicContact CB-CB 3.98Å; L836-R999 HydrophobicContact CD1-CB 4.46Å; L836-R999 PolarHBondContact N-O 2.92Å; K997-R999 PolarHBondContact O-N 3.07Å
1000S92.3Very high89Confident0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-141.4141.6173.857.60000112.9G813 T814 Y815 I834G813-S1000 PolarHBondContact O-N 3.16Å; T814-S1000 CarbonylContact C-O 3.42Å; T814-S1000 WeakPolarHBondContact CA-O 3.28Å; T814-S1000 WeakPolarHBondContact CG2-OG 3.27Å; T814-S1000 PolarHBondContact OG1-OG 2.84Å; T814-S1000 VanDerWaalsContact OG1-OG 3.06Å; Y815-S1000 PolarHBondContact N-O 3.42Å; I834-S1000 CarbonylContact O-C 3.6Å; I834-S1000 WeakPolarHBondContact O-CA 3.5Å; I834-S1000 WeakPolarHBondContact O-CB 3.29Å
1001L93.8Very high87.9Confident2 Ų238 Ų381%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-109118.5173176.265.7000108.2Q731 L734 L735 I834 V1003 I1102Q731-L1001 HydrophobicContact CB-CD2 4.34Å; Q731-L1001 HydrophobicContact CG-CD2 4.26Å; L734-L1001 HydrophobicContact CB-CD2 4.35Å; L734-L1001 HydrophobicContact CD1-CD1 3.66Å; L734-L1001 HydrophobicContact CD1-CD2 4.06Å; L735-L1001 HydrophobicContact CG-CD2 4.47Å; I834-L1001 HydrophobicContact CB-CB 4.39Å; I834-L1001 PolarHBondContact N-O 3.36Å; I834-L1001 PolarHBondContact O-N 2.9Å; L1001-V1003 HydrophobicContact CD1-CG2 4.19Å; L1001-V1003 HydrophobicContact CD2-CG2 3.95Å; L1001-V1003 HydrophobicContact CG-CG2 3.78Å; L1001-I1102 HydrophobicContact CD1-CD1 4.25Å
1002F95Very high86.4Confident0 Ų043.7 Ų43.70%022%0.22CC..EExtended strand (participates in β ladder)trans-108.4101.6177.8-161.2175.7000109.6Y815 Y816 L817 L831 A832 R833 A907 L910 Q1004Y815-F1002 PolarHBondContact O-N 3.49Å; Y816-F1002 HydrophobicContact CD1-CB 4.28Å; Y816-F1002 HydrophobicContact CD1-CD1 4Å; Y816-F1002 HydrophobicContact CD1-CG 4.48Å; Y816-F1002 HydrophobicContact CE1-CB 4.47Å; Y816-F1002 AromaticContact CE1-CD1 3.58Å; Y816-F1002 HydrophobicContact CE1-CD1 3.58Å; Y816-F1002 HydrophobicContact CE1-CE1 4.31Å; Y816-F1002 HydrophobicContact CE1-CG 4.44Å; L817-F1002 PolarHBondContact N-O 2.86Å; L831-F1002 HydrophobicContact CB-CE2 4.17Å; L831-F1002 HydrophobicContact CD2-CE2 4.44Å; L831-F1002 HydrophobicContact CD2-CZ 4.37Å; A832-F1002 WeakPolarHBondContact O-CD2 3.11Å; R833-F1002 HydrophobicContact CB-CD2 4.11Å; R833-F1002 HydrophobicContact CB-CE2 4.24Å; R833-F1002 HydrophobicContact CB-CG 4.46Å; R833-F1002 HydrophobicContact CG-CG 4.4Å; A907-F1002 HydrophobicContact CB-CE1 3.9Å; A907-F1002 HydrophobicContact CB-CZ 3.71Å; L910-F1002 HydrophobicContact CD1-CE2 4.46Å; L910-F1002 HydrophobicContact CD1-CZ 4.46Å; F1002-Q1004 HydrophobicContact CD2-CG 4Å; F1002-Q1004 HydrophobicContact CE2-CG 3.95Å; F1002-Q1004 HydrophobicContact CZ-CG 4.43Å
1003V95.4Very high84.5Confident0 Ų049.4 Ų49.40%025%0.25CC..EExtended strand (participates in β ladder)trans-99.7125178.2-172.90000109.4N727 L730 Q731 L817 A832 L1001N727-V1003 PolarHBondContact ND2-O 3.44Å; L730-V1003 HydrophobicContact CB-CG1 4.22Å; L730-V1003 HydrophobicContact CD1-CG1 4.32Å; Q731-V1003 HydrophobicContact CG-CB 4.43Å; Q731-V1003 HydrophobicContact CG-CG2 3.75Å; L817-V1003 HydrophobicContact CD2-CG1 4.29Å; L817-V1003 CarbonylContact O-C 3.59Å; L817-V1003 WeakPolarHBondContact O-CA 3.29Å; A832-V1003 PolarHBondContact N-O 2.9Å; A832-V1003 PolarHBondContact O-N 3.49Å; L1001-V1003 HydrophobicContact CD1-CG2 4.19Å; L1001-V1003 HydrophobicContact CD2-CG2 3.95Å; L1001-V1003 HydrophobicContact CG-CG2 3.78Å
1004Q95.3Very high82.2Confident6 Ų653.2 Ų53.23%0.02827%0.273CS..EExtended strand (participates in β ladder)trans-122118.8-178.3-63.6179.317.500109.2L817 R818 V819 L831 I903 F1002L817-Q1004 PolarHBondContact O-N 2.94Å; R818-Q1004 WeakPolarHBondContact CA-O 3.43Å; R818-Q1004 HydrophobicContact CB-CB 4.26Å; R818-Q1004 HydrophobicContact CG-CB 4.04Å; V819-Q1004 PolarHBondContact N-O 3.4Å; L831-Q1004 HydrophobicContact CD2-CG 4.31Å; L831-Q1004 HydrophobicContact CG-CG 4.39Å; I903-Q1004 HydrophobicContact CD1-CB 3.86Å; F1002-Q1004 HydrophobicContact CD2-CG 4Å; F1002-Q1004 HydrophobicContact CE2-CG 3.95Å; F1002-Q1004 HydrophobicContact CZ-CG 4.43Å
1005V94.2Very high80.3Confident0 Ų053.7 Ų53.70%028%0.278CS..EExtended strand (participates in β ladder)trans-102.1110.5170.1-179.10000107.7P723 L726 N727 V819 N821 M829 C830P723-V1005 HydrophobicContact CB-CB 4.42Å; P723-V1005 HydrophobicContact CB-CG1 4.01Å; L726-V1005 HydrophobicContact CB-CG2 4.46Å; L726-V1005 HydrophobicContact CD2-CG1 4.15Å; L726-V1005 HydrophobicContact CD2-CG2 4.4Å; L726-V1005 HydrophobicContact CG-CG2 4.3Å; N727-V1005 HydrophobicContact CB-CG2 3.73Å; V819-V1005 HydrophobicContact CG2-CB 4.44Å; V819-V1005 HydrophobicContact CG2-CG2 3.87Å; V819-V1005 WeakPolarHBondContact O-CA 3.44Å; N821-V1005 HydrophobicContact CB-CG1 3.77Å; M829-V1005 WeakPolarHBondContact CA-O 3.44Å; C830-V1005 HydrophobicContact CB-CB 4.28Å; C830-V1005 PolarHBondContact N-O 3.17Å; C830-V1005 PolarHBondContact O-N 3.39Å
1006D91.9Very high78.4Confident17 Ų1754.4 Ų54.49%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-96.6157.8-174.5-157.90.8000111.3R818 V819 M820 N821 I903 I1029R818-D1006 HydrophobicContact CG-CB 4.44Å; R818-D1006 IonicContact CZ-OD2 3.19Å; R818-D1006 IonicContact NE-OD2 2.9Å; R818-D1006 PolarHBondContact NE-OD2 2.9Å; R818-D1006 IonicContact NH2-OD2 3.56Å; R818-D1006 PolarHBondContact NH2-OD2 3.21Å; V819-D1006 PolarHBondContact O-N 3.19Å; M820-D1006 CarbonylContact C-O 3.54Å; M820-D1006 HydrophobicContact SD-CB 4.02Å; N821-D1006 WeakPolarHBondContact CB-O 3.17Å; N821-D1006 PolarHBondContact N-O 2.94Å; I903-D1006 HydrophobicContact CD1-CB 3.68Å; D1006-I1029 HydrophobicContact CB-CD1 3.84Å
1007V87.3Confident76.6Confident12 Ų1249.5 Ų49.57%0.07327%0.266CS..  trans-142.4165.1-176-55.80000110.9N821 D826 V827 N828 M829 A898N821-V1007 HydrophobicContact CB-CG1 3.72Å; D826-V1007 WeakPolarHBondContact O-CB 3.17Å; D826-V1007 WeakPolarHBondContact O-CG1 3.28Å; V827-V1007 WeakPolarHBondContact O-CG2 3.34Å; N828-V1007 WeakPolarHBondContact O-CG1 3.16Å; M829-V1007 HydrophobicContact CG-CG2 3.61Å; A898-V1007 HydrophobicContact CB-CG2 3.31Å
1008I82Confident74.8Confident91 Ų9147 Ų4747%0.46726%0.258SS..  trans-82.6121.9175.5-59.1174.2000108M820M820-I1008 HydrophobicContact CE-CG1 3.9Å
1009A80.3Confident72.9Confident48 Ų4849.4 Ų49.440%0.39728%0.276SS..SBendtrans-70.5138171.400000110.5A898A898-A1009 HydrophobicContact CB-CB 4.09Å; A898-A1009 WeakPolarHBondContact O-CB 3.28Å
1010N75.7Confident71.3Confident118 Ų11849.5 Ų49.563%0.63128%0.282SS*.SBendtrans47.860.2-178.5-58.3-54000112.6N899 E1012N899-N1010 PolarHBondContact OD1-N 3.24Å; N899-N1010 PolarHBondContact OD1-OD1 2.95Å; N1010-E1012 PolarHBondContact O-N 3.12Å
1011P68.3Low70.1Confident25 Ų2552.1 Ų52.116%0.16230%0.301CS..  trans-58.9134.2178.327.2-32.8000108.5P824 V827 L1013P824-P1011 WeakPolarHBondContact O-CB 3.24Å; V827-P1011 HydrophobicContact CG1-CG 3.86Å; P1011-L1013 PolarHBondContact O-N 3.21Å
1012E59.3Low69.2Low158 Ų15854 Ų5474%0.73831%0.308SS*.  trans-57.2115.9164.7-71.3-175.417700106.1N1010 T1014N1010-E1012 PolarHBondContact O-N 3.12Å; E1012-T1014 HydrophobicContact CB-CG2 4.31Å; E1012-T1014 PolarHBondContact O-N 2.83Å; E1012-T1014 PolarHBondContact O-OG1 3.17Å
1013L52.2Low68.3Low120 Ų12057.8 Ų57.863%0.62833%0.333SS*.  trans-68.244.9174.4-71.5162.7000110.2P1011P1011-L1013 PolarHBondContact O-N 3.21Å
1014T41.6Very low67.6Low88 Ų8859 Ų5954%0.5434%0.34SS..SBendtrans-81.2135164.3540000106.8E1012 T1016E1012-T1014 HydrophobicContact CB-CG2 4.31Å; E1012-T1014 PolarHBondContact O-N 2.83Å; E1012-T1014 PolarHBondContact O-OG1 3.17Å; T1014-T1016 VanDerWaalsContact C-N 3.3Å; T1014-T1016 PolarHBondContact O-N 3.32Å; T1014-T1016 PolarHBondContact O-OG1 3.07Å
1015T46Very low66.7Low57 Ų5764.1 Ų64.135%0.3537%0.367SS..  trans-51.782.2-174.149.10000113K521 T1017K521-T1015 WeakPolarHBondContact CE-O 3.46Å; K521-T1015 WeakPolarHBondContact CE-OG1 3.46Å; K521-T1015 PolarHBondContact NZ-O 3.03Å; T1015-T1017 PolarHBondContact O-N 2.96Å
1016T43.6Very low66.1Low68 Ų6865.2 Ų65.242%0.41737%0.372SS..  trans-72.391.5167.23.50000106.4P824 N825 T1014 V1018P824-T1016 HydrophobicContact CG-CG2 3.83Å; N825-T1016 PolarHBondContact ND2-OG1 3.26Å; N825-T1016 VanDerWaalsContact ND2-OG1 3.16Å; N825-T1016 PolarHBondContact OD1-OG1 3.01Å; N825-T1016 VanDerWaalsContact OD1-OG1 3.12Å; T1014-T1016 VanDerWaalsContact C-N 3.3Å; T1014-T1016 PolarHBondContact O-N 3.32Å; T1014-T1016 PolarHBondContact O-OG1 3.07Å; T1016-V1018 PolarHBondContact O-N 2.94Å; T1016-V1018 VanDerWaalsContact O-N 3.16Å
1017T45.9Very low65.8Low58 Ų5868.5 Ų68.536%0.35639%0.39SS..PPolyproline II helixtrans-59.5120.7169.733.20000107.4S518 K521 T1015 S1019S518-T1017 VanDerWaalsContact OG-CG2 3.26Å; S518-T1017 WeakPolarHBondContact OG-CG2 3.45Å; K521-T1017 HydrophobicContact CD-CG2 3.58Å; K521-T1017 HydrophobicContact CG-CG2 4.43Å; K521-T1017 VanDerWaalsContact NZ-CG2 3.35Å; K521-T1017 PolarHBondContact NZ-OG1 3.47Å; T1015-T1017 PolarHBondContact O-N 2.96Å; T1017-S1019 PolarHBondContact O-N 3.11Å; T1017-S1019 VanDerWaalsContact O-N 3.09Å
1018V50Low65.7Low32 Ų3269.9 Ų69.919%0.19440%0.398CS..PPolyproline II helixtrans-56.5117.1160-169.40000107.3V303 Y717 T1016 N1020V303-V1018 HydrophobicContact CG2-CB 3.46Å; V303-V1018 VanDerWaalsContact CG2-CB 3.46Å; V303-V1018 HydrophobicContact CG2-CG1 3.16Å; V303-V1018 HydrophobicContact CG2-CG2 4.18Å; Y717-V1018 HydrophobicContact CD1-CG1 4.12Å; Y717-V1018 HydrophobicContact CE1-CG1 3.13Å; Y717-V1018 WeakPolarHBondContact OH-CG1 3.17Å; T1016-V1018 PolarHBondContact O-N 2.94Å; T1016-V1018 VanDerWaalsContact O-N 3.16Å; V1018-N1020 PolarHBondContact O-N 3Å
1019S50.2Low66Low58 Ų5867.6 Ų67.641%0.40639%0.386SS..PPolyproline II helixtrans-69.1127.3-178.6171.70000109.7T1017 S1021 Y1022T1017-S1019 PolarHBondContact O-N 3.11Å; T1017-S1019 VanDerWaalsContact O-N 3.09Å; S1019-S1021 PolarHBondContact O-N 3.35Å; S1019-S1021 WeakPolarHBondContact OG-CB 3.39Å; S1019-S1021 PolarHBondContact OG-N 3.33Å; S1019-S1021 VanDerWaalsContact OG-N 3.12Å; S1019-S1021 PolarHBondContact OG-OG 3.24Å; S1019-Y1022 PolarHBondContact O-N 3.36Å
1020N56.8Low66.4Low82 Ų8270.7 Ų70.744%0.43940%0.396SS..THydrogen-bonded Turntrans-62.30.8169.9-73.6-3.3000113.2V1018 Y1022V1018-N1020 PolarHBondContact O-N 3Å; N1020-Y1022 WeakPolarHBondContact O-CD2 3.13Å; N1020-Y1022 PolarHBondContact O-N 3.15Å
1021S67.3Low66.7Low55 Ų5565.3 Ų65.339%0.38537%0.367SS..THydrogen-bonded Turntrans-69.3-12.4175.467.50000113.9K750 S1019 C1023K750-S1021 WeakPolarHBondContact CE-O 3.37Å; K750-S1021 PolarHBondContact NZ-O 3.2Å; S1019-S1021 PolarHBondContact O-N 3.35Å; S1019-S1021 WeakPolarHBondContact OG-CB 3.39Å; S1019-S1021 PolarHBondContact OG-N 3.33Å; S1019-S1021 VanDerWaalsContact OG-N 3.12Å; S1019-S1021 PolarHBondContact OG-OG 3.24Å; S1021-C1023 PolarHBondContact O-N 3Å; S1021-C1023 PolarHBondContact O-SG 3.39Å; S1021-C1023 PolarHBondContact OG-N 3.31Å
1022Y75.5Confident67.5Low41 Ų4167.2 Ų67.216%0.16138%0.377CS..  trans47.933.2-172-55.1-69.5000112.7L713 Q714 Y717 K750 S1019 N1020L713-Y1022 HydrophobicContact CB-CD1 4.29Å; L713-Y1022 HydrophobicContact CB-CD2 4.16Å; L713-Y1022 HydrophobicContact CB-CE1 4.4Å; L713-Y1022 HydrophobicContact CB-CE2 4.26Å; L713-Y1022 HydrophobicContact CB-CG 4.16Å; L713-Y1022 HydrophobicContact CD1-CD2 4.16Å; L713-Y1022 HydrophobicContact CD1-CE2 4.39Å; Q714-Y1022 HydrophobicContact CB-CE1 4.1Å; Y717-Y1022 HydrophobicContact CD2-CD1 4.18Å; Y717-Y1022 HydrophobicContact CG-CD1 4.03Å; K750-Y1022 WeakPolarHBondContact CE-O 3.31Å; K750-Y1022 VanDerWaalsContact NZ-C 3.31Å; K750-Y1022 PolarHBondContact NZ-O 3.21Å; S1019-Y1022 PolarHBondContact O-N 3.36Å; N1020-Y1022 WeakPolarHBondContact O-CD2 3.13Å; N1020-Y1022 PolarHBondContact O-N 3.15Å
1023C75.5Confident68.5Low79 Ų7963.6 Ų63.653%0.53436%0.362SS..  trans-97.4126.8175.4-67.40000108.4K750 S1021K750-C1023 PolarHBondContact NZ-SG 3.35Å; S1021-C1023 PolarHBondContact O-N 3Å; S1021-C1023 PolarHBondContact O-SG 3.39Å; S1021-C1023 PolarHBondContact OG-N 3.31Å
1024L80.7Confident69.7Low27 Ų2765.5 Ų65.514%0.14137%0.367CS..  trans-116.7143.1172.7-66.7173.9000108.2Y717 A720 L721 I742 T743 L746 C822 F1026Y717-L1024 HydrophobicContact CD2-CD1 4.14Å; Y717-L1024 HydrophobicContact CD2-CD2 3.8Å; Y717-L1024 HydrophobicContact CD2-CG 3.73Å; Y717-L1024 HydrophobicContact CE1-CD2 4.42Å; Y717-L1024 HydrophobicContact CE2-CD1 4.47Å; Y717-L1024 HydrophobicContact CE2-CD2 3.32Å; Y717-L1024 HydrophobicContact CE2-CG 3.63Å; A720-L1024 HydrophobicContact CB-CD1 3.41Å; A720-L1024 VanDerWaalsContact CB-CD1 3.41Å; L721-L1024 HydrophobicContact CD2-CD2 4.34Å; I742-L1024 HydrophobicContact CG2-CD1 4.23Å; T743-L1024 HydrophobicContact CG2-CB 3.92Å; T743-L1024 WeakPolarHBondContact CG2-O 3.43Å; L746-L1024 HydrophobicContact CD1-CD1 3.59Å; L746-L1024 HydrophobicContact CD1-CG 4.07Å; C822-L1024 HydrophobicContact CB-CD2 3.89Å; L1024-F1026 HydrophobicContact CB-CE1 4.36Å; L1024-F1026 HydrophobicContact CD1-CE1 4.49Å
1025D75.5Confident71.2Confident113 Ų11363.3 Ų63.360%0.60435%0.354SS*.  trans-122.4125.7171.2-159.6-2.9000109N1027D1025-N1027 PolarHBondContact O-N 3.26Å; D1025-N1027 PolarHBondContact OD2-OD1 2.97Å
1026F83.1Confident73Confident22 Ų2260.8 Ų60.810%0.09634%0.338CS..  trans-93.481.4-179.8-67.2-19.2000108.6L726 L741 I742 T743 L1024 T1028L726-F1026 HydrophobicContact CD1-CD1 4.14Å; L726-F1026 HydrophobicContact CD1-CE1 3.66Å; L726-F1026 HydrophobicContact CD1-CE2 4.33Å; L726-F1026 HydrophobicContact CD1-CZ 3.76Å; L741-F1026 HydrophobicContact CB-CE2 4.24Å; L741-F1026 HydrophobicContact CD1-CD2 4.38Å; L741-F1026 HydrophobicContact CD2-CD2 4.22Å; L741-F1026 HydrophobicContact CD2-CE2 4.08Å; I742-F1026 HydrophobicContact CB-CZ 4.22Å; T743-F1026 HydrophobicContact CG2-CD1 4.3Å; T743-F1026 HydrophobicContact CG2-CD2 4.01Å; T743-F1026 HydrophobicContact CG2-CE1 4.12Å; T743-F1026 HydrophobicContact CG2-CE2 3.82Å; T743-F1026 HydrophobicContact CG2-CG 4.26Å; T743-F1026 HydrophobicContact CG2-CZ 3.89Å; L1024-F1026 HydrophobicContact CB-CE1 4.36Å; L1024-F1026 HydrophobicContact CD1-CE1 4.49Å; F1026-T1028 PolarHBondContact O-N 3.14Å
1027N84.1Confident74.9Confident87 Ų8764.1 Ų64.147%0.46535%0.347SS..  trans-68.3102.6-178.9-67.8-38.6000110.1V819 M820 D1025V819-N1027 WeakPolarHBondContact CA-O 3.42Å; M820-N1027 HydrophobicContact CB-CB 4.27Å; M820-N1027 PolarHBondContact N-O 3.14Å; D1025-N1027 PolarHBondContact O-N 3.26Å; D1025-N1027 PolarHBondContact OD2-OD1 2.97Å
1028T87.1Confident76.8Confident40 Ų4065.4 Ų65.425%0.24535%0.352CS..BIsolated β-bridgetrans-75.9130.7174.7-53.90000109.1L817 F1026 I1102L817-T1028 HydrophobicContact CD1-CG2 4.14Å; F1026-T1028 PolarHBondContact O-N 3.14Å; T1028-I1102 WeakPolarHBondContact CG2-O 3.28Å
1029I88.3Confident78.7Confident44 Ų4464.1 Ų64.123%0.22634%0.344CS..  trans-91.1121.7177.4-57.6177.4000107.8R818 M820 D1006 T1031R818-I1029 HydrophobicContact CB-CB 4.21Å; R818-I1029 HydrophobicContact CG-CB 4Å; R818-I1029 HydrophobicContact CG-CD1 3.94Å; R818-I1029 HydrophobicContact CG-CG1 4.38Å; R818-I1029 PolarHBondContact O-N 3.41Å; M820-I1029 HydrophobicContact CG-CD1 3.7Å; M820-I1029 HydrophobicContact CG-CG1 3.94Å; M820-I1029 HydrophobicContact SD-CD1 3.37Å; M820-I1029 WeakPolarHBondContact SD-CD1 3.46Å; M820-I1029 HydrophobicContact SD-CG1 4.25Å; D1006-I1029 HydrophobicContact CB-CD1 3.84Å; I1029-T1031 PolarHBondContact O-N 3.48Å; I1029-T1031 PolarHBondContact O-OG1 2.79Å
1030N86.8Confident80.4Confident112 Ų11263 Ų6360%0.59933%0.331SS*.  trans-61.2112.5177.7-75.2-37.8000110N1103N1030-N1103 WeakPolarHBondContact CA-OD1 3.37Å; N1030-N1103 WeakPolarHBondContact OD1-CB 3.24Å
1031T83.9Confident81.9Confident5 Ų564 Ų643%0.03134%0.335CS..  trans-103138.9176.4-48.40000108.9I1029 T1035 L1036 F1101 N1103I1029-T1031 PolarHBondContact O-N 3.48Å; I1029-T1031 PolarHBondContact O-OG1 2.79Å; T1031-T1035 WeakPolarHBondContact CG2-OG1 3.11Å; T1031-L1036 HydrophobicContact CG2-CD2 4.26Å; T1031-L1036 HydrophobicContact CG2-CG 4.44Å; T1031-F1101 HydrophobicContact CG2-CD1 3.72Å; T1031-F1101 HydrophobicContact CG2-CE1 3.88Å; T1031-F1101 WeakPolarHBondContact O-CB 3.36Å; T1031-F1101 WeakPolarHBondContact O-CG 3.3Å; T1031-N1103 PolarHBondContact N-OD1 2.7Å; T1031-N1103 PolarHBondContact O-ND2 3.48Å; T1031-N1103 PolarHBondContact O-OD1 3.17Å
1032N84.1Confident82.9Confident66 Ų6661.5 Ų61.535%0.35332%0.318SS..  trans-151179.1176.563.242.2000110.3E1034 T1035 L1036N1032-E1034 PolarHBondContact O-N 2.75Å; N1032-E1034 WeakPolarHBondContact OD1-CA 3.39Å; N1032-E1034 VanDerWaalsContact OD1-CB 3.22Å; N1032-E1034 WeakPolarHBondContact OD1-CB 3.33Å; N1032-E1034 PolarHBondContact OD1-N 3.25Å; N1032-T1035 PolarHBondContact N-OG1 2.93Å; N1032-T1035 PolarHBondContact O-N 3.18Å; N1032-T1035 VanDerWaalsContact O-N 3.13Å; N1032-T1035 PolarHBondContact O-OG1 3.3Å; N1032-T1035 PolarHBondContact OD1-N 3.36Å; N1032-L1036 PolarHBondContact O-N 3.34Å; N1032-L1036 VanDerWaalsContact O-N 3.13Å
1033L81.2Confident83.5Confident82 Ų8260.1 Ų60.143%0.42931%0.313SS..Hα-helixtrans-57.7-34179.3-71168.3000113.5L1036 K1037 Q1096 M1099 F1101L1033-L1036 PolarHBondContact O-N 3.28Å; L1033-K1037 PolarHBondContact O-N 3.38Å; L1033-Q1096 HydrophobicContact CD2-CB 4.18Å; L1033-Q1096 HydrophobicContact CD2-CG 3.78Å; L1033-M1099 HydrophobicContact CD2-SD 4.2Å; L1033-F1101 HydrophobicContact CD2-CZ 4.34Å; L1033-F1101 HydrophobicContact CG-CE2 4.38Å; L1033-F1101 HydrophobicContact CG-CZ 4.36Å
1034E76.4Confident84Confident159 Ų15960.2 Ų60.274%0.74331%0.308SS*.Hα-helixtrans-68.2-40.9177.7-169.9175.3-167.500111.3N1032 L1036 K1037N1032-E1034 PolarHBondContact O-N 2.75Å; N1032-E1034 WeakPolarHBondContact OD1-CA 3.39Å; N1032-E1034 VanDerWaalsContact OD1-CB 3.22Å; N1032-E1034 WeakPolarHBondContact OD1-CB 3.33Å; N1032-E1034 PolarHBondContact OD1-N 3.25Å; E1034-L1036 VanDerWaalsContact C-N 3.28Å; E1034-L1036 PolarHBondContact O-N 3.44Å; E1034-K1037 WeakPolarHBondContact O-CB 3.34Å; E1034-K1037 PolarHBondContact O-N 3.1Å
1035T73.8Confident84.4Confident42 Ų4262 Ų6226%0.25832%0.323SS..Hα-helixtrans-66.4-30175.559.50000112.7T1031 N1032 K1037T1031-T1035 WeakPolarHBondContact CG2-OG1 3.11Å; N1032-T1035 PolarHBondContact N-OG1 2.93Å; N1032-T1035 PolarHBondContact O-N 3.18Å; N1032-T1035 VanDerWaalsContact O-N 3.13Å; N1032-T1035 PolarHBondContact O-OG1 3.3Å; N1032-T1035 PolarHBondContact OD1-N 3.36Å; T1035-K1037 VanDerWaalsContact C-N 3.29Å; T1035-K1037 PolarHBondContact O-N 3.41Å
1036L82.4Confident84.9Confident5 Ų557.3 Ų57.33%0.02630%0.298CS..Hα-helixtrans-78.4-10.4176.5-68.9-173.8000113.5Y816 T1031 N1032 L1033 E1034 N1038 E1039 Y1040 M1099 F1101Y816-L1036 HydrophobicContact CD1-CD2 4.21Å; Y816-L1036 HydrophobicContact CE1-CD1 4.29Å; Y816-L1036 HydrophobicContact CE1-CD2 3.93Å; Y816-L1036 HydrophobicContact CE2-CD1 4.43Å; T1031-L1036 HydrophobicContact CG2-CD2 4.26Å; T1031-L1036 HydrophobicContact CG2-CG 4.44Å; N1032-L1036 PolarHBondContact O-N 3.34Å; N1032-L1036 VanDerWaalsContact O-N 3.13Å; L1033-L1036 PolarHBondContact O-N 3.28Å; E1034-L1036 VanDerWaalsContact C-N 3.28Å; E1034-L1036 PolarHBondContact O-N 3.44Å; L1036-N1038 PolarHBondContact O-N 3.4Å; L1036-E1039 HydrophobicContact CD2-CB 4.37Å; L1036-E1039 VanDerWaalsContact CD2-OE2 3.28Å; L1036-E1039 WeakPolarHBondContact CD2-OE2 3.28Å; L1036-E1039 WeakPolarHBondContact O-CA 3.42Å; L1036-E1039 VanDerWaalsContact O-CB 3.31Å; L1036-E1039 WeakPolarHBondContact O-CB 3.42Å; L1036-E1039 PolarHBondContact O-N 3.2Å; L1036-Y1040 HydrophobicContact CB-CD2 4.22Å; L1036-Y1040 HydrophobicContact CB-CE2 4.31Å; L1036-Y1040 WeakPolarHBondContact O-CD2 3.46Å; L1036-Y1040 PolarHBondContact O-N 3.47Å; L1036-M1099 HydrophobicContact CD1-CE 4.07Å; L1036-M1099 HydrophobicContact CD1-SD 3.5Å; L1036-M1099 WeakPolarHBondContact CD1-SD 3.41Å; L1036-F1101 HydrophobicContact CD1-CE1 3.62Å; L1036-F1101 HydrophobicContact CD1-CZ 3.86Å; L1036-F1101 HydrophobicContact CG-CE1 4.14Å
1037K84.9Confident85.2Confident137 Ų13761.5 Ų61.560%0.59632%0.321SS*.Hα-helixtrans-55-39.5179.7-172.8-179.8179.1-177.90112L1033 E1034 T1035 Y1040 I1041L1033-K1037 PolarHBondContact O-N 3.38Å; E1034-K1037 WeakPolarHBondContact O-CB 3.34Å; E1034-K1037 PolarHBondContact O-N 3.1Å; T1035-K1037 VanDerWaalsContact C-N 3.29Å; T1035-K1037 PolarHBondContact O-N 3.41Å; K1037-Y1040 PolarHBondContact O-N 3.43Å; K1037-I1041 HydrophobicContact CG-CD1 4.32Å; K1037-I1041 VanDerWaalsContact O-CG1 3.27Å; K1037-I1041 WeakPolarHBondContact O-CG1 3.08Å; K1037-I1041 PolarHBondContact O-N 3.28Å
1038N86.1Confident85.3Confident86 Ų8658.7 Ų58.746%0.4631%0.306SS..Hα-helixtrans-69.2-35.7176.3-68-19.3000112.4D904 L1036 I1041 S1042D904-N1038 HydrophobicContact CB-CB 3.64Å; D904-N1038 PolarHBondContact OD2-ND2 2.82Å; L1036-N1038 PolarHBondContact O-N 3.4Å; N1038-I1041 PolarHBondContact O-N 3.38Å; N1038-S1042 PolarHBondContact O-N 3.17Å
1039E88.2Confident85.2Confident4 Ų457.5 Ų57.52%0.01930%0.301CS..Hα-helixtrans-61.6-46.5172.6-169.6-179.1145.900110.2D904 A907 T911 L1036 I1041 S1042 I1043D904-E1039 WeakPolarHBondContact O-CA 3.23Å; A907-E1039 HydrophobicContact CB-CG 3.98Å; T911-E1039 PolarHBondContact OG1-OE1 2.93Å; L1036-E1039 HydrophobicContact CD2-CB 4.37Å; L1036-E1039 VanDerWaalsContact CD2-OE2 3.28Å; L1036-E1039 WeakPolarHBondContact CD2-OE2 3.28Å; L1036-E1039 WeakPolarHBondContact O-CA 3.42Å; L1036-E1039 VanDerWaalsContact O-CB 3.31Å; L1036-E1039 WeakPolarHBondContact O-CB 3.42Å; L1036-E1039 PolarHBondContact O-N 3.2Å; E1039-I1041 PolarHBondContact O-N 2.9Å; E1039-S1042 WeakPolarHBondContact O-CA 3.18Å; E1039-S1042 WeakPolarHBondContact O-CB 3.09Å; E1039-S1042 PolarHBondContact O-N 3.27Å; E1039-S1042 VanDerWaalsContact O-N 3.11Å; E1039-I1043 HydrophobicContact CG-CD1 4.08Å; E1039-I1043 VanDerWaalsContact O-CG1 3.3Å; E1039-I1043 WeakPolarHBondContact O-CG1 3.43Å; E1039-I1043 PolarHBondContact O-N 2.94Å
1040Y85.8Confident85.1Confident36 Ų3660.1 Ų60.114%0.14132%0.316CS..Hα-helixtrans-62.3-39.6175.9-84.1-76.7000113.2L1036 K1037 S1042 I1043 N1044 M1099L1036-Y1040 HydrophobicContact CB-CD2 4.22Å; L1036-Y1040 HydrophobicContact CB-CE2 4.31Å; L1036-Y1040 WeakPolarHBondContact O-CD2 3.46Å; L1036-Y1040 PolarHBondContact O-N 3.47Å; K1037-Y1040 PolarHBondContact O-N 3.43Å; Y1040-S1042 VanDerWaalsContact C-N 3.31Å; Y1040-S1042 PolarHBondContact O-N 2.9Å; Y1040-I1043 HydrophobicContact CD1-CD1 4.47Å; Y1040-I1043 PolarHBondContact O-N 3.02Å; Y1040-N1044 WeakPolarHBondContact O-CB 3.22Å; Y1040-N1044 PolarHBondContact O-N 2.96Å; Y1040-N1044 PolarHBondContact O-ND2 3.13Å; Y1040-M1099 HydrophobicContact CE2-CE 4Å; Y1040-M1099 WeakPolarHBondContact OH-CE 3.28Å
1041I88.4Confident85Confident101 Ų10154.9 Ų54.952%0.51829%0.288SS..Hα-helixtrans-60-44.3172.3-69.6163.7000110K1037 N1038 E1039 N1044 S1045K1037-I1041 HydrophobicContact CG-CD1 4.32Å; K1037-I1041 VanDerWaalsContact O-CG1 3.27Å; K1037-I1041 WeakPolarHBondContact O-CG1 3.08Å; K1037-I1041 PolarHBondContact O-N 3.28Å; N1038-I1041 PolarHBondContact O-N 3.38Å; E1039-I1041 PolarHBondContact O-N 2.9Å; I1041-N1044 PolarHBondContact O-N 3.4Å; I1041-S1045 VanDerWaalsContact O-CB 3.28Å; I1041-S1045 WeakPolarHBondContact O-CB 3.37Å; I1041-S1045 PolarHBondContact O-N 3.39Å; I1041-S1045 PolarHBondContact O-OG 3.41Å
1042S89.5Confident85.2Confident4 Ų454.6 Ų54.63%0.02829%0.286CS..Hα-helixtrans-61.7-46.7176.2-177.20000111.7Y905 R909 N1038 E1039 Y1040 N1044 S1045Y905-S1042 PolarHBondContact O-OG 3.22Å; R909-S1042 PolarHBondContact NE-OG 2.75Å; N1038-S1042 PolarHBondContact O-N 3.17Å; E1039-S1042 WeakPolarHBondContact O-CA 3.18Å; E1039-S1042 WeakPolarHBondContact O-CB 3.09Å; E1039-S1042 PolarHBondContact O-N 3.27Å; E1039-S1042 VanDerWaalsContact O-N 3.11Å; Y1040-S1042 VanDerWaalsContact C-N 3.31Å; Y1040-S1042 PolarHBondContact O-N 2.9Å; S1042-N1044 PolarHBondContact O-N 2.91Å; S1042-S1045 PolarHBondContact O-N 2.84Å; S1042-S1045 PolarHBondContact O-OG 2.76Å
1043I87.8Confident85.2Confident11 Ų1157.1 Ų57.16%0.05630%0.297CS..Hα-helixtrans-57.6-47.3176.8-68.5162.9000111.5G908 T911 A912 R916 E1039 Y1040 S1045G908-I1043 VanDerWaalsContact O-CG1 3.31Å; G908-I1043 WeakPolarHBondContact O-CG1 3.49Å; T911-I1043 HydrophobicContact CG2-CD1 3.5Å; T911-I1043 HydrophobicContact CG2-CG1 4.09Å; A912-I1043 HydrophobicContact CB-CG2 4.3Å; R916-I1043 PolarHBondContact NH1-O 2.91Å; R916-I1043 VanDerWaalsContact NH1-O 3.1Å; E1039-I1043 HydrophobicContact CG-CD1 4.08Å; E1039-I1043 VanDerWaalsContact O-CG1 3.3Å; E1039-I1043 WeakPolarHBondContact O-CG1 3.43Å; E1039-I1043 PolarHBondContact O-N 2.94Å; Y1040-I1043 HydrophobicContact CD1-CD1 4.47Å; Y1040-I1043 PolarHBondContact O-N 3.02Å; I1043-S1045 VanDerWaalsContact C-N 3.3Å; I1043-S1045 PolarHBondContact O-N 3.39Å
1044N86.3Confident85.1Confident81 Ų8154.8 Ų54.843%0.43329%0.287SS..Hα-helixtrans-79.7-10.5-176.6-70.1-24.8000113.6R916 Y1040 I1041 S1042 I1046R916-N1044 PolarHBondContact NH1-OD1 2.69Å; R916-N1044 PolarHBondContact NH2-OD1 3.13Å; Y1040-N1044 WeakPolarHBondContact O-CB 3.22Å; Y1040-N1044 PolarHBondContact O-N 2.96Å; Y1040-N1044 PolarHBondContact O-ND2 3.13Å; I1041-N1044 PolarHBondContact O-N 3.4Å; S1042-N1044 PolarHBondContact O-N 2.91Å; N1044-I1046 VanDerWaalsContact C-N 3.31Å
1045S89.5Confident85.3Confident65 Ų6548 Ų4846%0.45526%0.256SS..THydrogen-bonded Turntrans-81.2-7.1174.672.30000114.3R909 I1041 S1042 I1043R909-S1045 PolarHBondContact NH2-OG 3.35Å; I1041-S1045 VanDerWaalsContact O-CB 3.28Å; I1041-S1045 WeakPolarHBondContact O-CB 3.37Å; I1041-S1045 PolarHBondContact O-N 3.39Å; I1041-S1045 PolarHBondContact O-OG 3.41Å; S1042-S1045 PolarHBondContact O-N 2.84Å; S1042-S1045 PolarHBondContact O-OG 2.76Å; I1043-S1045 VanDerWaalsContact C-N 3.3Å; I1043-S1045 PolarHBondContact O-N 3.39Å
1046I86.4Confident85.7Confident15 Ų1549 Ų498%0.07728%0.276CS..  trans-81.2124.5179.6-72161.4000110.5A912 I917 N1044 I1048 A1051A912-I1046 HydrophobicContact CB-CD1 3.11Å; A912-I1046 HydrophobicContact CB-CG1 4.48Å; I917-I1046 HydrophobicContact CD1-CG2 4.46Å; N1044-I1046 VanDerWaalsContact C-N 3.31Å; I1046-I1048 PolarHBondContact O-N 2.87Å; I1046-A1051 HydrophobicContact CG2-CB 4.1Å
1047D87.8Confident85.9Confident109 Ų10949.7 Ų49.758%0.58328%0.278SS*.  trans-77.3105.2161.9-177.9-23.8000108.6G1049 N1050 A1051D1047-G1049 VanDerWaalsContact C-N 3.35Å; D1047-G1049 PolarHBondContact O-N 2.84Å; D1047-G1049 PolarHBondContact OD1-N 3.18Å; D1047-G1049 VanDerWaalsContact OD1-N 3.13Å; D1047-N1050 HydrophobicContact CB-CB 3.91Å; D1047-N1050 PolarHBondContact O-N 2.81Å; D1047-N1050 PolarHBondContact OD1-N 3.46Å; D1047-A1051 WeakPolarHBondContact O-CB 3.34Å; D1047-A1051 PolarHBondContact O-N 2.7Å
1048I86Confident85.9Confident29 Ų2946.5 Ų46.515%0.14927%0.267CS..Hα-helixtrans-63.3-41.9-175.7-60.5174.4000111R916 I1046 A1051 L1052R916-I1048 HydrophobicContact CB-CD1 4.23Å; R916-I1048 HydrophobicContact CG-CD1 4.49Å; I1046-I1048 PolarHBondContact O-N 2.87Å; I1048-A1051 PolarHBondContact O-N 2.92Å; I1048-L1052 HydrophobicContact CG2-CD1 3.95Å; I1048-L1052 HydrophobicContact CG2-CG 4.47Å; I1048-L1052 WeakPolarHBondContact O-CG 3.5Å; I1048-L1052 PolarHBondContact O-N 3.1Å
1049G84.7Confident85.9Confident14 Ų1445.3 Ų45.314%0.14426%0.259CS..Hα-helixtrans-62.6-45.7179.300000111D1047 A1051 L1052 M1053 E1059D1047-G1049 VanDerWaalsContact C-N 3.35Å; D1047-G1049 PolarHBondContact O-N 2.84Å; D1047-G1049 PolarHBondContact OD1-N 3.18Å; D1047-G1049 VanDerWaalsContact OD1-N 3.13Å; G1049-A1051 PolarHBondContact O-N 3.1Å; G1049-L1052 PolarHBondContact O-N 3.48Å; G1049-M1053 WeakPolarHBondContact O-CB 3.25Å; G1049-M1053 VanDerWaalsContact O-CG 3.28Å; G1049-M1053 WeakPolarHBondContact O-CG 3.33Å; G1049-M1053 PolarHBondContact O-N 3.42Å; G1049-E1059 VanDerWaalsContact CA-OE2 3.23Å; G1049-E1059 WeakPolarHBondContact CA-OE2 3.36Å; G1049-E1059 PolarHBondContact N-OE2 3.01Å
1050N86.5Confident85.8Confident99 Ų9952.9 Ų52.953%0.52929%0.292SS..Hα-helixtrans-64.3-40.1174.6-171.140.7000112.1D1047 M1053 T1054D1047-N1050 HydrophobicContact CB-CB 3.91Å; D1047-N1050 PolarHBondContact O-N 2.81Å; D1047-N1050 PolarHBondContact OD1-N 3.46Å; N1050-M1053 PolarHBondContact O-N 2.94Å; N1050-T1054 WeakPolarHBondContact O-CB 3.48Å; N1050-T1054 PolarHBondContact O-N 3.39Å; N1050-T1054 PolarHBondContact O-OG1 2.84Å
1051A86.4Confident85.8Confident2 Ų255.4 Ų55.42%0.01731%0.305CS..Hα-helixtrans-64.8-37.8178.300000113.1Y862 I917 I1046 D1047 I1048 G1049 T1054 C1055Y862-A1051 HydrophobicContact CD2-CB 4.28Å; Y862-A1051 HydrophobicContact CE2-CB 3.42Å; Y862-A1051 VanDerWaalsContact CE2-CB 3.42Å; I917-A1051 HydrophobicContact CD1-CB 3.67Å; I917-A1051 HydrophobicContact CG1-CB 4.21Å; I1046-A1051 HydrophobicContact CG2-CB 4.1Å; D1047-A1051 WeakPolarHBondContact O-CB 3.34Å; D1047-A1051 PolarHBondContact O-N 2.7Å; I1048-A1051 PolarHBondContact O-N 2.92Å; G1049-A1051 PolarHBondContact O-N 3.1Å; A1051-T1054 VanDerWaalsContact O-CB 3.3Å; A1051-T1054 WeakPolarHBondContact O-CB 3.31Å; A1051-C1055 PolarHBondContact O-N 2.97Å; A1051-C1055 PolarHBondContact O-SG 3.04Å
1052L86.4Confident85.7Confident0 Ų050.6 Ų50.60%028%0.28CS..Hα-helixtrans-70.9-46.8174.6-75.7167.3000112I917 R920 I921 I1048 G1049 T1054 C1055 G1056 Y1057 E1059I917-L1052 HydrophobicContact CG2-CD2 4.1Å; R920-L1052 HydrophobicContact CB-CD1 3.65Å; R920-L1052 HydrophobicContact CB-CD2 3.71Å; R920-L1052 HydrophobicContact CB-CG 4.27Å; R920-L1052 HydrophobicContact CG-CD1 4.24Å; I921-L1052 HydrophobicContact CG1-CD2 3.86Å; I1048-L1052 HydrophobicContact CG2-CD1 3.95Å; I1048-L1052 HydrophobicContact CG2-CG 4.47Å; I1048-L1052 WeakPolarHBondContact O-CG 3.5Å; I1048-L1052 PolarHBondContact O-N 3.1Å; G1049-L1052 PolarHBondContact O-N 3.48Å; L1052-T1054 PolarHBondContact O-N 2.65Å; L1052-C1055 CarbonylContact O-C 3.55Å; L1052-C1055 WeakPolarHBondContact O-CA 3.42Å; L1052-C1055 PolarHBondContact O-N 3.25Å; L1052-G1056 PolarHBondContact O-N 3.17Å; L1052-Y1057 CarbonylContact C-O 3.56Å; L1052-Y1057 WeakPolarHBondContact CB-O 3.09Å; L1052-Y1057 PolarHBondContact O-N 2.81Å; L1052-Y1057 VanDerWaalsContact O-O 3.08Å; L1052-E1059 HydrophobicContact CD1-CB 3.78Å; L1052-E1059 HydrophobicContact CD1-CG 4.04Å
1053M84Confident85.4Confident119 Ų11952.6 Ų52.659%0.58629%0.29SS*.Hα-helixtrans-55.8-39.2175.1-78.5-63.6-56.100110.8G1049 N1050 G1056 Y1057G1049-M1053 WeakPolarHBondContact O-CB 3.25Å; G1049-M1053 VanDerWaalsContact O-CG 3.28Å; G1049-M1053 WeakPolarHBondContact O-CG 3.33Å; G1049-M1053 PolarHBondContact O-N 3.42Å; N1050-M1053 PolarHBondContact O-N 2.94Å; M1053-G1056 PolarHBondContact O-N 2.93Å; M1053-Y1057 WeakPolarHBondContact CA-O 3.49Å; M1053-Y1057 PolarHBondContact N-O 3.2Å
1054T79.3Confident85.3Confident33 Ų3358 Ų5820%0.20231%0.313CS..Hα-helixtrans-59.8-45.4173.4-71.10000111.8Y862 K866 N1050 A1051 L1052 G1056Y862-T1054 HydrophobicContact CD2-CG2 4Å; K866-T1054 HydrophobicContact CB-CG2 4.35Å; K866-T1054 HydrophobicContact CD-CG2 2.94Å; K866-T1054 HydrophobicContact CG-CG2 4.23Å; K866-T1054 PolarHBondContact NZ-O 3.24Å; N1050-T1054 WeakPolarHBondContact O-CB 3.48Å; N1050-T1054 PolarHBondContact O-N 3.39Å; N1050-T1054 PolarHBondContact O-OG1 2.84Å; A1051-T1054 VanDerWaalsContact O-CB 3.3Å; A1051-T1054 WeakPolarHBondContact O-CB 3.31Å; L1052-T1054 PolarHBondContact O-N 2.65Å; T1054-G1056 PolarHBondContact O-N 2.89Å
1055C80.8Confident85.2Confident16 Ų1656.5 Ų56.511%0.10830%0.303CS..THydrogen-bonded Turntrans-75.24174.4-59.30000113.7I921 A1051 L1052 Y1057I921-C1055 HydrophobicContact CD1-CB 4.19Å; I921-C1055 HydrophobicContact CG1-CB 4.47Å; A1051-C1055 PolarHBondContact O-N 2.97Å; A1051-C1055 PolarHBondContact O-SG 3.04Å; L1052-C1055 CarbonylContact O-C 3.55Å; L1052-C1055 WeakPolarHBondContact O-CA 3.42Å; L1052-C1055 PolarHBondContact O-N 3.25Å; C1055-Y1057 HydrophobicContact CB-CD2 3.78Å; C1055-Y1057 HydrophobicContact CB-CE2 4.19Å; C1055-Y1057 WeakPolarHBondContact O-CD2 3.45Å; C1055-Y1057 WeakPolarHBondContact O-CE2 3.35Å
1056G81.8Confident84.9Confident64 Ų6453.6 Ų53.666%0.6628%0.282SS*.THydrogen-bonded Turntrans84.217.5-178.600000115.5L1052 M1053 T1054L1052-G1056 PolarHBondContact O-N 3.17Å; M1053-G1056 PolarHBondContact O-N 2.93Å; T1054-G1056 PolarHBondContact O-N 2.89Å
1057Y86.7Confident84.3Confident18 Ų1858.9 Ų58.97%0.07131%0.308CS..  trans-122.7149.1-175.9-60.4-73.3000112.9I921 A924 M925 L1052 M1053 C1055I921-Y1057 HydrophobicContact CB-CD2 4.24Å; I921-Y1057 HydrophobicContact CB-CE2 4.24Å; I921-Y1057 HydrophobicContact CG1-CD2 3.78Å; I921-Y1057 HydrophobicContact CG1-CE2 4.03Å; I921-Y1057 HydrophobicContact CG2-CD2 4.04Å; I921-Y1057 HydrophobicContact CG2-CE2 3.53Å; A924-Y1057 HydrophobicContact CB-CD1 4.14Å; A924-Y1057 HydrophobicContact CB-CG 4.29Å; M925-Y1057 HydrophobicContact CB-CE1 3.95Å; M925-Y1057 HydrophobicContact CG-CE1 4.3Å; L1052-Y1057 CarbonylContact C-O 3.56Å; L1052-Y1057 WeakPolarHBondContact CB-O 3.09Å; L1052-Y1057 PolarHBondContact O-N 2.81Å; L1052-Y1057 VanDerWaalsContact O-O 3.08Å; M1053-Y1057 WeakPolarHBondContact CA-O 3.49Å; M1053-Y1057 PolarHBondContact N-O 3.2Å; C1055-Y1057 HydrophobicContact CB-CD2 3.78Å; C1055-Y1057 HydrophobicContact CB-CE2 4.19Å; C1055-Y1057 WeakPolarHBondContact O-CD2 3.45Å; C1055-Y1057 WeakPolarHBondContact O-CE2 3.35Å
1058D86.1Confident83.6Confident71 Ų7160.4 Ų60.438%0.3831%0.309SS..  trans-98.7124.5176.6-170.9-27.5000110.9K1060 E1061 A1062D1058-K1060 VanDerWaalsContact C-N 3.27Å; D1058-K1060 PolarHBondContact O-N 3.07Å; D1058-K1060 WeakPolarHBondContact OD1-CB 3.41Å; D1058-K1060 PolarHBondContact OD1-N 3.29Å; D1058-E1061 HydrophobicContact CB-CB 4.45Å; D1058-E1061 HydrophobicContact CB-CG 4.41Å; D1058-E1061 PolarHBondContact O-N 3.03Å; D1058-A1062 PolarHBondContact O-N 3.21Å; D1058-A1062 VanDerWaalsContact O-N 3.11Å
1059E85.8Confident82.6Confident60 Ų6059.4 Ų59.428%0.2831%0.305SS..Hα-helixtrans-57.3-36.7176.4-173.9173.2-154.600113.2G1049 L1052 A1062 M1063G1049-E1059 VanDerWaalsContact CA-OE2 3.23Å; G1049-E1059 WeakPolarHBondContact CA-OE2 3.36Å; G1049-E1059 PolarHBondContact N-OE2 3.01Å; L1052-E1059 HydrophobicContact CD1-CB 3.78Å; L1052-E1059 HydrophobicContact CD1-CG 4.04Å; E1059-A1062 VanDerWaalsContact O-CB 3.25Å; E1059-A1062 WeakPolarHBondContact O-CB 3.32Å; E1059-A1062 PolarHBondContact O-N 2.74Å; E1059-M1063 HydrophobicContact CG-CG 4.48Å; E1059-M1063 WeakPolarHBondContact O-CG 3.34Å; E1059-M1063 PolarHBondContact O-N 3.15Å
1060K85.2Confident81.4Confident163 Ų16361 Ų6171%0.70931%0.307SS*.Hα-helixtrans-66-40.6-179.9-67.7177.4-178.5169.30111.8D1058 A1062 M1063 K1064D1058-K1060 VanDerWaalsContact C-N 3.27Å; D1058-K1060 PolarHBondContact O-N 3.07Å; D1058-K1060 WeakPolarHBondContact OD1-CB 3.41Å; D1058-K1060 PolarHBondContact OD1-N 3.29Å; K1060-A1062 VanDerWaalsContact C-N 3.34Å; K1060-M1063 PolarHBondContact O-N 3.4Å; K1060-K1064 VanDerWaalsContact O-CB 3.31Å; K1060-K1064 WeakPolarHBondContact O-CB 3.28Å; K1060-K1064 PolarHBondContact O-N 2.68Å
1061E86.7Confident79.8Confident90 Ų9060.2 Ų60.242%0.42131%0.309SS..Hα-helixtrans-68.3-37.4175.6-69.7-58.213800110.6D1058 M1063 K1064 F1065D1058-E1061 HydrophobicContact CB-CB 4.45Å; D1058-E1061 HydrophobicContact CB-CG 4.41Å; D1058-E1061 PolarHBondContact O-N 3.03Å; E1061-M1063 PolarHBondContact O-N 3.12Å; E1061-K1064 PolarHBondContact O-N 2.8Å; E1061-K1064 IonicContact OE1-NZ 3.7Å; E1061-K1064 PolarHBondContact OE1-NZ 3.33Å; E1061-K1064 IonicContact OE2-NZ 2.95Å; E1061-K1064 PolarHBondContact OE2-NZ 3.3Å; E1061-F1065 WeakPolarHBondContact O-CB 3.32Å; E1061-F1065 PolarHBondContact O-N 3Å
1062A86.1Confident78.1Confident0 Ų065.3 Ų65.30%034%0.336CS..Hα-helixtrans-54.8-53.5171.500000111.6R920 A923 A924 D1058 E1059 K1060 K1064 F1065 M1066R920-A1062 HydrophobicContact CB-CB 4.05Å; R920-A1062 HydrophobicContact CG-CB 4.29Å; A923-A1062 HydrophobicContact CB-CB 4.23Å; A924-A1062 HydrophobicContact CB-CB 3.79Å; D1058-A1062 PolarHBondContact O-N 3.21Å; D1058-A1062 VanDerWaalsContact O-N 3.11Å; E1059-A1062 VanDerWaalsContact O-CB 3.25Å; E1059-A1062 WeakPolarHBondContact O-CB 3.32Å; E1059-A1062 PolarHBondContact O-N 2.74Å; K1060-A1062 VanDerWaalsContact C-N 3.34Å; A1062-K1064 VanDerWaalsContact C-N 3.35Å; A1062-K1064 PolarHBondContact O-N 3.42Å; A1062-F1065 PolarHBondContact O-N 2.69Å; A1062-M1066 HydrophobicContact CB-CE 3.92Å; A1062-M1066 WeakPolarHBondContact O-CE 3.36Å; A1062-M1066 WeakPolarHBondContact O-CG 3.45Å; A1062-M1066 PolarHBondContact O-N 2.98Å
1063M84Confident76.3Confident45 Ų4568 Ų6822%0.22235%0.353CS..Hα-helixtrans-64.1-39.9-177.4-68.3-60.5-84.300112E1059 K1060 E1061 M1066 M1067E1059-M1063 HydrophobicContact CG-CG 4.48Å; E1059-M1063 WeakPolarHBondContact O-CG 3.34Å; E1059-M1063 PolarHBondContact O-N 3.15Å; K1060-M1063 PolarHBondContact O-N 3.4Å; E1061-M1063 PolarHBondContact O-N 3.12Å; M1063-M1066 HydrophobicContact CG-CE 4.41Å; M1063-M1066 PolarHBondContact O-N 3.42Å; M1063-M1066 HydrophobicContact SD-CE 3.57Å; M1063-M1066 VanDerWaalsContact SD-CE 3.57Å; M1063-M1067 WeakPolarHBondContact O-CB 3.43Å; M1063-M1067 VanDerWaalsContact O-CG 3.3Å; M1063-M1067 WeakPolarHBondContact O-CG 3.5Å; M1063-M1067 PolarHBondContact O-N 3.48Å
1064K84.1Confident74.2Confident126 Ų12668.9 Ų68.955%0.54836%0.359SS..Hα-helixtrans-63.2-43.5175.8-178.7-176.4168.1-159.60112.2K1060 E1061 A1062 K1068K1060-K1064 VanDerWaalsContact O-CB 3.31Å; K1060-K1064 WeakPolarHBondContact O-CB 3.28Å; K1060-K1064 PolarHBondContact O-N 2.68Å; E1061-K1064 PolarHBondContact O-N 2.8Å; E1061-K1064 IonicContact OE1-NZ 3.7Å; E1061-K1064 PolarHBondContact OE1-NZ 3.33Å; E1061-K1064 IonicContact OE2-NZ 2.95Å; E1061-K1064 PolarHBondContact OE2-NZ 3.3Å; A1062-K1064 VanDerWaalsContact C-N 3.35Å; A1062-K1064 PolarHBondContact O-N 3.42Å; K1064-K1068 WeakPolarHBondContact O-CB 3.34Å; K1064-K1068 PolarHBondContact O-N 3.15Å
1065F85.3Confident72.3Confident49 Ų4974.5 Ų74.522%0.21539%0.388CS..Hα-helixtrans-64.8-45.4176.3-176.2-87.1000111.7A923 Q981 E982 L985 E1061 A1062 K1068 S1069A923-F1065 HydrophobicContact CB-CB 4.37Å; A923-F1065 HydrophobicContact CB-CD1 3.92Å; A923-F1065 HydrophobicContact CB-CG 4.48Å; A923-F1065 VanDerWaalsContact O-CB 3.31Å; A923-F1065 WeakPolarHBondContact O-CB 3.47Å; A923-F1065 WeakPolarHBondContact O-CG 3.32Å; Q981-F1065 HydrophobicContact CB-CZ 4.21Å; Q981-F1065 HydrophobicContact CG-CE1 4.35Å; Q981-F1065 HydrophobicContact CG-CE2 4.33Å; Q981-F1065 HydrophobicContact CG-CZ 3.82Å; E982-F1065 HydrophobicContact CB-CZ 4.33Å; L985-F1065 HydrophobicContact CD2-CD1 3.95Å; L985-F1065 HydrophobicContact CD2-CE1 3.81Å; E1061-F1065 WeakPolarHBondContact O-CB 3.32Å; E1061-F1065 PolarHBondContact O-N 3Å; A1062-F1065 PolarHBondContact O-N 2.69Å; F1065-K1068 PolarHBondContact O-N 3.3Å; F1065-S1069 WeakPolarHBondContact CE1-OG 3.16Å; F1065-S1069 PolarHBondContact O-N 3.03Å; F1065-S1069 PolarHBondContact O-OG 3.31Å
1066M82Confident70Confident4 Ų480.7 Ų80.72%0.0242%0.42CS..Hα-helixtrans-58.4-53.2176.9-72.1-174.8-78.400110.4R920 A923 L985 A1062 M1063 K1068 S1069 Y1070 L1085R920-M1066 HydrophobicContact CG-CE 3.78Å; A923-M1066 HydrophobicContact CB-CE 4.35Å; A923-M1066 HydrophobicContact CB-CG 3.72Å; A923-M1066 HydrophobicContact CB-SD 4.22Å; L985-M1066 HydrophobicContact CD2-CG 4.06Å; A1062-M1066 HydrophobicContact CB-CE 3.92Å; A1062-M1066 WeakPolarHBondContact O-CE 3.36Å; A1062-M1066 WeakPolarHBondContact O-CG 3.45Å; A1062-M1066 PolarHBondContact O-N 2.98Å; M1063-M1066 HydrophobicContact CG-CE 4.41Å; M1063-M1066 PolarHBondContact O-N 3.42Å; M1063-M1066 HydrophobicContact SD-CE 3.57Å; M1063-M1066 VanDerWaalsContact SD-CE 3.57Å; M1066-K1068 VanDerWaalsContact C-N 3.28Å; M1066-K1068 PolarHBondContact O-N 2.97Å; M1066-S1069 PolarHBondContact O-N 3.23Å; M1066-S1069 VanDerWaalsContact O-N 3.09Å; M1066-Y1070 WeakPolarHBondContact O-CD2 2.84Å; M1066-Y1070 PolarHBondContact O-N 2.78Å; M1066-L1085 HydrophobicContact CE-CD2 4.25Å; M1066-L1085 HydrophobicContact SD-CD1 3.93Å; M1066-L1085 HydrophobicContact SD-CD2 3.56Å; M1066-L1085 VanDerWaalsContact SD-CD2 3.56Å; M1066-L1085 HydrophobicContact SD-CG 4.37Å
1067M75Confident67.6Low126 Ų12683.3 Ų83.362%0.62143%0.428SS*.Hα-helixtrans-58.1-35.8177.8-72.1-178.3-179.300113.7M1063 S1071M1063-M1067 WeakPolarHBondContact O-CB 3.43Å; M1063-M1067 VanDerWaalsContact O-CG 3.3Å; M1063-M1067 WeakPolarHBondContact O-CG 3.5Å; M1063-M1067 PolarHBondContact O-N 3.48Å; M1067-S1071 PolarHBondContact O-N 3.34Å; M1067-S1071 PolarHBondContact O-OG 3.24Å
1068K73.5Confident65Low140 Ų14089.6 Ų89.661%0.60946%0.463SS*.Hα-helixtrans-68-40.9176.4-171.5-178.2176.8-171.70111.8K1064 F1065 M1066 Y1070 S1071 N1072K1064-K1068 WeakPolarHBondContact O-CB 3.34Å; K1064-K1068 PolarHBondContact O-N 3.15Å; F1065-K1068 PolarHBondContact O-N 3.3Å; M1066-K1068 VanDerWaalsContact C-N 3.28Å; M1066-K1068 PolarHBondContact O-N 2.97Å; K1068-Y1070 VanDerWaalsContact C-N 3.33Å; K1068-S1071 WeakPolarHBondContact CA-OG 3.4Å; K1068-S1071 PolarHBondContact O-N 3.03Å; K1068-S1071 PolarHBondContact O-OG 3.24Å; K1068-N1072 PolarHBondContact O-N 2.88Å
1069S65.2Low62.5Low9 Ų991.6 Ų91.66%0.06348%0.478CS..Hα-helixtrans-66.6-36.4177.6-52.90000111.5F1065 M1066 S1071 T1073F1065-S1069 WeakPolarHBondContact CE1-OG 3.16Å; F1065-S1069 PolarHBondContact O-N 3.03Å; F1065-S1069 PolarHBondContact O-OG 3.31Å; M1066-S1069 PolarHBondContact O-N 3.23Å; M1066-S1069 VanDerWaalsContact O-N 3.09Å; S1069-S1071 PolarHBondContact O-N 3.19Å; S1069-T1073 PolarHBondContact O-OG1 3.42Å; S1069-T1073 VanDerWaalsContact O-OG1 3.05Å
1070Y58.7Low60.4Low48 Ų4891.8 Ų91.819%0.18848%0.48CS..Hα-helixtrans-63.5-36.3172.8-85.2-78000113.6M1066 K1068 T1073 I1080 L1085M1066-Y1070 WeakPolarHBondContact O-CD2 2.84Å; M1066-Y1070 PolarHBondContact O-N 2.78Å; K1068-Y1070 VanDerWaalsContact C-N 3.33Å; Y1070-T1073 PolarHBondContact O-OG1 3.23Å; Y1070-I1080 HydrophobicContact CE1-CB 4.13Å; Y1070-I1080 HydrophobicContact CE1-CG2 3.57Å; Y1070-L1085 HydrophobicContact CE2-CD1 4.36Å
1071S53.3Low58.4Low81 Ų8188.4 Ų88.457%0.56647%0.47SS*.Hα-helixtrans-77.2-25.8-178.140.10000113.7M1067 K1068 S1069M1067-S1071 PolarHBondContact O-N 3.34Å; M1067-S1071 PolarHBondContact O-OG 3.24Å; K1068-S1071 WeakPolarHBondContact CA-OG 3.4Å; K1068-S1071 PolarHBondContact O-N 3.03Å; K1068-S1071 PolarHBondContact O-OG 3.24Å; S1069-S1071 PolarHBondContact O-N 3.19Å
1072N49.7Very low56.2Low110 Ų11090.5 Ų90.559%0.58848%0.484SS*.Hα-helixtrans-79.6-23.1177.1-81.3-13.6000114.3K1068K1068-N1072 PolarHBondContact O-N 2.88Å
1073T49Very low54.2Low57 Ų5792.8 Ų92.835%0.3550%0.496SS..Hα-helixtrans-85.2-15-176.239.70000113.8S1069 Y1070 N1075S1069-T1073 PolarHBondContact O-OG1 3.42Å; S1069-T1073 VanDerWaalsContact O-OG1 3.05Å; Y1070-T1073 PolarHBondContact O-OG1 3.23Å; T1073-N1075 VanDerWaalsContact C-N 3.29Å; T1073-N1075 PolarHBondContact O-N 2.8Å
1074N39.1Very low52.5Low136 Ų13692 Ų9273%0.72749%0.493SS*.THydrogen-bonded Turntrans-8124.2-169-105.4-21.2000117.2
1075N40.6Very low51Low151 Ų15187.3 Ų87.381%0.80747%0.474SS*.THydrogen-bonded Turntrans-109.4-6.5174.2-91.1-25.7000115.4T1073T1073-N1075 VanDerWaalsContact C-N 3.29Å; T1073-N1075 PolarHBondContact O-N 2.8Å
1076N31.8Very low49.2Very low147 Ų14786.6 Ų86.679%0.78647%0.472SS*.SBendtrans-160.6120.6170.9-88.4-40.3000111.7
1077S32Very low47.6Very low118 Ų11892.1 Ų92.183%0.82550%0.498SS*.SBendtrans83.5141.9168.479.50000118.5
1078N30.8Very low45.8Very low150 Ų15091.6 Ų91.680%0.80249%0.494SS*.  trans-74.2150.4-161.1-72.7-36.8000114.8
1079T35Very low44.1Very low113 Ų11393.4 Ų93.469%0.69350%0.504SS*.  trans71.584.3153.553.90000118.5
1080I41.9Very low42.6Very low64 Ų64100 Ų10033%0.32853%0.534SS..  trans-120.799138.5-58.9-178.2000104.7Y1070 L1084Y1070-I1080 HydrophobicContact CE1-CB 4.13Å; Y1070-I1080 HydrophobicContact CE1-CG2 3.57Å; I1080-L1084 HydrophobicContact CG2-CD1 3.48Å; I1080-L1084 VanDerWaalsContact CG2-CD1 3.48Å
1081D43.3Very low42Very low93 Ų9398.6 Ų98.650%0.49753%0.53SS..  trans-69.4147.6-171.9-154.3-2.8000110.4N1083 L1084D1081-N1083 HydrophobicContact CB-CB 4.04Å; D1081-N1083 PolarHBondContact O-N 2.98Å; D1081-N1083 PolarHBondContact OD2-ND2 3.08Å; D1081-L1084 PolarHBondContact O-N 3.5Å
1082D40.6Very low41.8Very low134 Ų13498.3 Ų98.372%0.71752%0.519SS*.G310 helixtrans-53.4-14.4172.5-87.4-30.1000111.9L1084D1082-L1084 PolarHBondContact O-N 2.84Å
1083N42.8Very low41.9Very low47 Ų4795.8 Ų95.825%0.25151%0.511SS..G310 helixtrans-67.9-18.1179.8-75.4-32.7000116.6D1081 L1085 N1091D1081-N1083 HydrophobicContact CB-CB 4.04Å; D1081-N1083 PolarHBondContact O-N 2.98Å; D1081-N1083 PolarHBondContact OD2-ND2 3.08Å; N1083-L1085 VanDerWaalsContact C-N 3.29Å; N1083-L1085 PolarHBondContact O-N 3.31Å; N1083-N1091 VanDerWaalsContact CA-ND2 3.35Å; N1083-N1091 WeakPolarHBondContact CA-ND2 2.92Å; N1083-N1091 WeakPolarHBondContact CB-ND2 3.34Å; N1083-N1091 WeakPolarHBondContact CB-OD1 3.47Å; N1083-N1091 PolarHBondContact O-ND2 3.49Å; N1083-N1091 PolarHBondContact OD1-ND2 3.05Å; N1083-N1091 PolarHBondContact OD1-OD1 2.6Å
1084L49.2Very low42.2Very low29 Ų2996.5 Ų96.515%0.15251%0.512CS..G310 helixtrans-72.8-17.4-174.4-90.2152.2000114.6L993 I1080 D1081 D1082L993-L1084 HydrophobicContact CB-CD2 3.75Å; I1080-L1084 HydrophobicContact CG2-CD1 3.48Å; I1080-L1084 VanDerWaalsContact CG2-CD1 3.48Å; D1081-L1084 PolarHBondContact O-N 3.5Å; D1082-L1084 PolarHBondContact O-N 2.84Å
1085L52.8Low43.2Very low27 Ų2790.7 Ų90.714%0.14148%0.481CS..G310 helixtrans-99.734-178.5-75169000114.1M1066 Y1070 N1083 E1087M1066-L1085 HydrophobicContact CE-CD2 4.25Å; M1066-L1085 HydrophobicContact SD-CD1 3.93Å; M1066-L1085 HydrophobicContact SD-CD2 3.56Å; M1066-L1085 VanDerWaalsContact SD-CD2 3.56Å; M1066-L1085 HydrophobicContact SD-CG 4.37Å; Y1070-L1085 HydrophobicContact CE2-CD1 4.36Å; N1083-L1085 VanDerWaalsContact C-N 3.29Å; N1083-L1085 PolarHBondContact O-N 3.31Å; L1085-E1087 WeakPolarHBondContact O-CG 3.2Å; L1085-E1087 PolarHBondContact O-N 3Å
1086L47.2Very low44.4Very low34 Ų3487.8 Ų87.818%0.17846%0.462CS..SBendtrans50.49.5160.5-76.9173.9000119.3R915 R916 E1095R915-L1086 HydrophobicContact CB-CD1 3.71Å; R916-L1086 HydrophobicContact CG-CD1 3.55Å; L1086-E1095 WeakPolarHBondContact CD2-OE1 3.06Å
1087E47.7Very low46Very low120 Ų12088 Ų8856%0.56146%0.456SS*.  trans-95.54.6-173.5-78.8175-15300113.9R920 L1085R920-E1087 IonicContact NH2-OE1 3.34Å; R920-E1087 PolarHBondContact NH2-OE1 3.22Å; L1085-E1087 WeakPolarHBondContact O-CG 3.2Å; L1085-E1087 PolarHBondContact O-N 3Å
1088H38.6Very low48.2Very low116 Ų11683.9 Ų83.954%0.53743%0.426SS..  trans-121.1129.4178.2-72.2-46.1000113.4E1090 N1091H1088-E1090 PolarHBondContact O-N 3.43Å; H1088-N1091 PolarHBondContact O-N 2.77Å; H1088-N1091 VanDerWaalsContact O-N 3.09Å
1089E36.6Very low50.8Low177 Ų17777.8 Ų77.883%0.82739%0.393SS*.THydrogen-bonded Turntrans-51.7-23.4174.7-70.9-178.9157.400113.3N1091 E1092E1089-N1091 VanDerWaalsContact C-N 3.3Å; E1089-N1091 PolarHBondContact O-N 3.28Å; E1089-E1092 PolarHBondContact O-N 2.94Å
1090E35Very low53.5Low149 Ų14974.9 Ų74.970%0.69637%0.373SS*.Hα-helixtrans-65.8-30178.7-67.9-172.3159.700112.9H1088 S1093H1088-E1090 PolarHBondContact O-N 3.43Å; E1090-S1093 PolarHBondContact O-N 3.12Å; E1090-S1093 PolarHBondContact O-OG 3.08Å
1091N45.6Very low55.8Low17 Ų1774.5 Ų74.59%0.09137%0.369CS..Hα-helixtrans-75.9-24.8179.3-73.5-49.7000113.8N1083 H1088 E1089 S1093 D1094 E1095N1083-N1091 VanDerWaalsContact CA-ND2 3.35Å; N1083-N1091 WeakPolarHBondContact CA-ND2 2.92Å; N1083-N1091 WeakPolarHBondContact CB-ND2 3.34Å; N1083-N1091 WeakPolarHBondContact CB-OD1 3.47Å; N1083-N1091 PolarHBondContact O-ND2 3.49Å; N1083-N1091 PolarHBondContact OD1-ND2 3.05Å; N1083-N1091 PolarHBondContact OD1-OD1 2.6Å; H1088-N1091 PolarHBondContact O-N 2.77Å; H1088-N1091 VanDerWaalsContact O-N 3.09Å; E1089-N1091 VanDerWaalsContact C-N 3.3Å; E1089-N1091 PolarHBondContact O-N 3.28Å; N1091-S1093 PolarHBondContact O-N 3.29Å; N1091-D1094 PolarHBondContact O-N 2.96Å; N1091-E1095 WeakPolarHBondContact O-CB 3.47Å; N1091-E1095 WeakPolarHBondContact O-CG 3.37Å; N1091-E1095 PolarHBondContact O-N 2.78Å
1092E49.4Very low58.1Low75 Ų7570.1 Ų70.135%0.3535%0.345SS..Hα-helixtrans-60.6-33.8174-71.7-168.6160.600111E1089 Q1096E1089-E1092 PolarHBondContact O-N 2.94Å; E1092-Q1096 WeakPolarHBondContact O-CG 3.36Å; E1092-Q1096 PolarHBondContact O-N 3.01Å
1093S50.6Low60.4Low58 Ų5866.3 Ų66.341%0.40633%0.325SS..Hα-helixtrans-71.7-33.1179.982.50000113.4E1090 N1091 K1097E1090-S1093 PolarHBondContact O-N 3.12Å; E1090-S1093 PolarHBondContact O-OG 3.08Å; N1091-S1093 PolarHBondContact O-N 3.29Å; S1093-K1097 WeakPolarHBondContact O-CE 3.37Å; S1093-K1097 WeakPolarHBondContact O-CG 3.4Å
1094D55.2Low62.6Low72 Ų7268 Ų6839%0.38533%0.334SS..Hα-helixtrans-83.4-30.9177.4-80.1-16.9000111.9N1091 K1097 T1098N1091-D1094 PolarHBondContact O-N 2.96Å; D1094-K1097 WeakPolarHBondContact O-CB 3.41Å; D1094-K1097 PolarHBondContact O-N 3.25Å; D1094-K1097 IonicContact OD1-NZ 3.63Å; D1094-K1097 PolarHBondContact OD1-NZ 3.07Å; D1094-T1098 PolarHBondContact O-N 3.34Å
1095E60.5Low64.3Low14 Ų1466.9 Ų66.97%0.06533%0.328CS..Hα-helixtrans-63.9-46.1170.4-80.5-179.1-164.700112.8R915 L1086 N1091 K1097 T1098 M1099R915-E1095 IonicContact CZ-OE1 3.11Å; R915-E1095 IonicContact CZ-OE2 3.92Å; R915-E1095 IonicContact NH1-OE1 3.36Å; R915-E1095 PolarHBondContact NH1-OE1 2.99Å; R915-E1095 IonicContact NH1-OE2 3.42Å; R915-E1095 PolarHBondContact NH1-OE2 3.13Å; R915-E1095 IonicContact NH2-OE1 3.8Å; R915-E1095 PolarHBondContact NH2-OE1 2.9Å; R915-E1095 IonicContact NH2-OE2 2.66Å; L1086-E1095 WeakPolarHBondContact CD2-OE1 3.06Å; N1091-E1095 WeakPolarHBondContact O-CB 3.47Å; N1091-E1095 WeakPolarHBondContact O-CG 3.37Å; N1091-E1095 PolarHBondContact O-N 2.78Å; E1095-K1097 PolarHBondContact O-N 2.77Å; E1095-K1097 VanDerWaalsContact O-N 3.09Å; E1095-T1098 PolarHBondContact O-N 2.83Å; E1095-T1098 PolarHBondContact O-OG1 3Å; E1095-M1099 PolarHBondContact O-N 3.32Å
1096Q66Low65.8Low89 Ų8971.2 Ų71.242%0.41635%0.346SS..Hα-helixtrans-57.4-27.7177.2-74.81769.500112L1033 E1092 T1098L1033-Q1096 HydrophobicContact CD2-CB 4.18Å; L1033-Q1096 HydrophobicContact CD2-CG 3.78Å; E1092-Q1096 WeakPolarHBondContact O-CG 3.36Å; E1092-Q1096 PolarHBondContact O-N 3.01Å; Q1096-T1098 VanDerWaalsContact C-N 3.34Å
1097K64.9Low67.7Low151 Ų15176.9 Ų76.966%0.65737%0.369SS*.Hα-helixtrans-75.9-18175.8-65.3170-162.5156.90113.8S1093 D1094 E1095S1093-K1097 WeakPolarHBondContact O-CE 3.37Å; S1093-K1097 WeakPolarHBondContact O-CG 3.4Å; D1094-K1097 WeakPolarHBondContact O-CB 3.41Å; D1094-K1097 PolarHBondContact O-N 3.25Å; D1094-K1097 IonicContact OD1-NZ 3.63Å; D1094-K1097 PolarHBondContact OD1-NZ 3.07Å; E1095-K1097 PolarHBondContact O-N 2.77Å; E1095-K1097 VanDerWaalsContact O-N 3.09Å
1098T79.9Confident69.5Low32 Ų3272.6 Ų72.620%0.19635%0.349CS..Hα-helixtrans-1022.4179.760.50000114G813 T814 V995 D1094 E1095 Q1096G813-T1098 CarbonylContact C-O 3.3Å; G813-T1098 WeakPolarHBondContact CA-O 3.4Å; T814-T1098 PolarHBondContact N-O 3.2Å; V995-T1098 HydrophobicContact CG1-CG2 3.32Å; D1094-T1098 PolarHBondContact O-N 3.34Å; E1095-T1098 PolarHBondContact O-N 2.83Å; E1095-T1098 PolarHBondContact O-OG1 3Å; Q1096-T1098 VanDerWaalsContact C-N 3.34Å
1099M85.2Confident71.7Confident23 Ų2367.7 Ų67.711%0.11333%0.326CS..EExtended strand (participates in β ladder)trans-82.1128.9174.1-66.7-174.7168.500111.5Y816 L1033 L1036 Y1040 E1095 F1101Y816-M1099 HydrophobicContact CE2-CB 4.42Å; Y816-M1099 HydrophobicContact CE2-CE 4.47Å; Y816-M1099 HydrophobicContact CE2-CG 4.07Å; Y816-M1099 HydrophobicContact CE2-SD 4.41Å; L1033-M1099 HydrophobicContact CD2-SD 4.2Å; L1036-M1099 HydrophobicContact CD1-CE 4.07Å; L1036-M1099 HydrophobicContact CD1-SD 3.5Å; L1036-M1099 WeakPolarHBondContact CD1-SD 3.41Å; Y1040-M1099 HydrophobicContact CE2-CE 4Å; Y1040-M1099 WeakPolarHBondContact OH-CE 3.28Å; E1095-M1099 PolarHBondContact O-N 3.32Å; M1099-F1101 HydrophobicContact CB-CE2 4.36Å; M1099-F1101 HydrophobicContact CB-CZ 4.12Å; M1099-F1101 HydrophobicContact SD-CZ 4.4Å
1100I90.4Very high74Confident51 Ų5162.4 Ų62.426%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-123.5114.7-178.6-59.2163.2000108.5T814 Y815 Y816 F1108T814-I1100 PolarHBondContact O-N 3.11Å; Y815-I1100 CarbonylContact C-O 3.57Å; Y815-I1100 WeakPolarHBondContact CA-O 3.33Å; Y815-I1100 HydrophobicContact CD1-CB 3.77Å; Y815-I1100 HydrophobicContact CD1-CD1 3.91Å; Y815-I1100 HydrophobicContact CD1-CG1 4.45Å; Y815-I1100 HydrophobicContact CD1-CG2 3.61Å; Y815-I1100 HydrophobicContact CD2-CD1 4.44Å; Y815-I1100 HydrophobicContact CE1-CB 4.04Å; Y815-I1100 HydrophobicContact CE1-CD1 3.32Å; Y815-I1100 HydrophobicContact CE1-CG1 4.26Å; Y815-I1100 HydrophobicContact CE1-CG2 3.8Å; Y815-I1100 HydrophobicContact CE2-CD1 3.91Å; Y815-I1100 HydrophobicContact CG-CB 4.3Å; Y815-I1100 HydrophobicContact CG-CD1 4.44Å; Y816-I1100 PolarHBondContact N-O 3.03Å; I1100-F1108 HydrophobicContact CG2-CE2 3.95Å
1101F91.7Very high76.4Confident56 Ų5659.7 Ų59.725%0.24630%0.302CS..EExtended strand (participates in β ladder)trans-94117-176.7-57.4-71.6000111.9Y816 T1031 L1033 L1036 M1099 N1103Y816-F1101 HydrophobicContact CD2-CE1 4.43Å; Y816-F1101 HydrophobicContact CG-CD1 4.49Å; T1031-F1101 HydrophobicContact CG2-CD1 3.72Å; T1031-F1101 HydrophobicContact CG2-CE1 3.88Å; T1031-F1101 WeakPolarHBondContact O-CB 3.36Å; T1031-F1101 WeakPolarHBondContact O-CG 3.3Å; L1033-F1101 HydrophobicContact CD2-CZ 4.34Å; L1033-F1101 HydrophobicContact CG-CE2 4.38Å; L1033-F1101 HydrophobicContact CG-CZ 4.36Å; L1036-F1101 HydrophobicContact CD1-CE1 3.62Å; L1036-F1101 HydrophobicContact CD1-CZ 3.86Å; L1036-F1101 HydrophobicContact CG-CE1 4.14Å; M1099-F1101 HydrophobicContact CB-CE2 4.36Å; M1099-F1101 HydrophobicContact CB-CZ 4.12Å; M1099-F1101 HydrophobicContact SD-CZ 4.4Å; F1101-N1103 VanDerWaalsContact C-N 3.34Å; F1101-N1103 PolarHBondContact O-N 2.77Å; F1101-N1103 VanDerWaalsContact O-N 3.13Å
1102I91.3Very high78.2Confident1 Ų159.1 Ų59.11%0.00530%0.299CS..  trans-87.775.3176.5-52.5177.1000108.9L734 Y816 L817 L1001 T1028 L1105 F1108L734-I1102 HydrophobicContact CD1-CD1 3.82Å; L734-I1102 HydrophobicContact CD2-CD1 4.42Å; Y816-I1102 WeakPolarHBondContact O-CA 3.25Å; Y816-I1102 WeakPolarHBondContact O-CB 3.38Å; Y816-I1102 PolarHBondContact O-N 3.01Å; L817-I1102 HydrophobicContact CB-CB 4.25Å; L817-I1102 HydrophobicContact CB-CD1 4.29Å; L817-I1102 HydrophobicContact CD1-CB 4.18Å; L817-I1102 HydrophobicContact CD1-CG2 3.95Å; L1001-I1102 HydrophobicContact CD1-CD1 4.25Å; T1028-I1102 WeakPolarHBondContact CG2-O 3.28Å; I1102-L1105 HydrophobicContact CG2-CD1 4.23Å; I1102-F1108 HydrophobicContact CB-CG 4.43Å; I1102-F1108 HydrophobicContact CD1-CD1 3.64Å; I1102-F1108 HydrophobicContact CD1-CE1 3.57Å; I1102-F1108 HydrophobicContact CD1-CG 4.25Å; I1102-F1108 HydrophobicContact CD1-CZ 4.13Å; I1102-F1108 HydrophobicContact CG1-CD1 3.82Å; I1102-F1108 HydrophobicContact CG1-CD2 4.13Å; I1102-F1108 HydrophobicContact CG1-CE1 4.02Å; I1102-F1108 HydrophobicContact CG1-CE2 4.33Å; I1102-F1108 HydrophobicContact CG1-CG 3.89Å; I1102-F1108 HydrophobicContact CG1-CZ 4.29Å; I1102-F1108 HydrophobicContact CG2-CB 3.76Å; I1102-F1108 HydrophobicContact CG2-CD1 3.98Å; I1102-F1108 HydrophobicContact CG2-CG 3.93Å
1103N88.9Confident79.7Confident54 Ų5461.3 Ų61.329%0.28931%0.309SS..SBendtrans-84.6-11.1-180-70.2-22.1000113.7N1030 T1031 F1101N1030-N1103 WeakPolarHBondContact CA-OD1 3.37Å; N1030-N1103 WeakPolarHBondContact OD1-CB 3.24Å; T1031-N1103 PolarHBondContact N-OD1 2.7Å; T1031-N1103 PolarHBondContact O-ND2 3.48Å; T1031-N1103 PolarHBondContact O-OD1 3.17Å; F1101-N1103 VanDerWaalsContact C-N 3.34Å; F1101-N1103 PolarHBondContact O-N 2.77Å; F1101-N1103 VanDerWaalsContact O-N 3.13Å
1104N87.4Confident81Confident82 Ų8258.8 Ų58.844%0.43929%0.291SS..SBendtrans-144.2107.8171.1-177.6-53.3000108.5F1106 K1107 F1108N1104-F1106 VanDerWaalsContact C-N 3.34Å; N1104-F1106 PolarHBondContact O-N 3.11Å; N1104-F1106 PolarHBondContact OD1-N 2.99Å; N1104-K1107 HydrophobicContact CB-CB 3.9Å; N1104-K1107 PolarHBondContact O-N 2.93Å; N1104-K1107 WeakPolarHBondContact OD1-CB 3.28Å; N1104-K1107 PolarHBondContact OD1-N 3.49Å; N1104-F1108 WeakPolarHBondContact O-CB 3.17Å; N1104-F1108 PolarHBondContact O-N 3.03Å
1105L86.5Confident81.7Confident7 Ų758.4 Ų58.44%0.03729%0.287CS..Hα-helixtrans-59.1-43.1-172.7-172.466000112.6L730 Y733 L734 L741 L817 I1102 R1109L730-L1105 HydrophobicContact CD2-CD2 3.74Å; Y733-L1105 HydrophobicContact CD1-CD1 4.24Å; Y733-L1105 HydrophobicContact CD1-CD2 4.02Å; Y733-L1105 HydrophobicContact CD1-CG 4.14Å; Y733-L1105 HydrophobicContact CE1-CD1 4.35Å; Y733-L1105 HydrophobicContact CE1-CD2 3.9Å; Y733-L1105 HydrophobicContact CE1-CG 3.84Å; L734-L1105 HydrophobicContact CD1-CD1 4.45Å; L734-L1105 HydrophobicContact CD2-CD1 3.73Å; L734-L1105 HydrophobicContact CG-CD1 4.17Å; L741-L1105 HydrophobicContact CD1-CD2 4.07Å; L741-L1105 HydrophobicContact CD2-CD2 3.86Å; L817-L1105 HydrophobicContact CD1-CD1 4.31Å; L817-L1105 HydrophobicContact CD2-CD1 3.98Å; I1102-L1105 HydrophobicContact CG2-CD1 4.23Å; L1105-R1109 WeakPolarHBondContact O-CB 3.26Å; L1105-R1109 PolarHBondContact O-N 3.48Å
1106F84Confident81.9Confident117 Ų11761.4 Ų61.451%0.51331%0.306SS..Hα-helixtrans-68-45.9179.9-66.3-78.1000112.2L741 N1104 F1108 R1109 S1110L741-F1106 HydrophobicContact CD1-CE1 3.78Å; L741-F1106 HydrophobicContact CD1-CE2 4.34Å; L741-F1106 HydrophobicContact CD1-CZ 3.53Å; N1104-F1106 VanDerWaalsContact C-N 3.34Å; N1104-F1106 PolarHBondContact O-N 3.11Å; N1104-F1106 PolarHBondContact OD1-N 2.99Å; F1106-F1108 VanDerWaalsContact C-N 3.33Å; F1106-F1108 PolarHBondContact O-N 2.91Å; F1106-R1109 PolarHBondContact O-N 3.02Å; F1106-S1110 PolarHBondContact O-N 2.85Å; F1106-S1110 VanDerWaalsContact O-N 3.16Å
1107K85.5Confident81.4Confident153 Ų15360.5 Ų60.567%0.66532%0.32SS*.Hα-helixtrans-60.4-45.9177.8-174.8-178.6177.6-176.30110.6N1104 S1110N1104-K1107 HydrophobicContact CB-CB 3.9Å; N1104-K1107 PolarHBondContact O-N 2.93Å; N1104-K1107 WeakPolarHBondContact OD1-CB 3.28Å; N1104-K1107 PolarHBondContact OD1-N 3.49Å; K1107-S1110 PolarHBondContact O-N 2.54Å; K1107-S1110 PolarHBondContact O-OG 3.18Å
1108F86.8Confident80.6Confident30 Ų3062.1 Ų62.113%0.13232%0.322CS..Hα-helixtrans-65.6-41.4177.8-177.8-100.9000112L734 Y815 I1100 I1102 N1104 F1106 S1110 T1111 I1112L734-F1108 HydrophobicContact CD2-CD1 3.83Å; L734-F1108 HydrophobicContact CD2-CE1 4.09Å; Y815-F1108 HydrophobicContact CD1-CE1 4.23Å; Y815-F1108 AromaticContact CD1-CE2 3.85Å; Y815-F1108 HydrophobicContact CD1-CE2 3.85Å; Y815-F1108 AromaticContact CD1-CZ 3.33Å; Y815-F1108 HydrophobicContact CD1-CZ 3.33Å; Y815-F1108 AromaticContact CE1-CE2 3.88Å; Y815-F1108 HydrophobicContact CE1-CE2 3.88Å; Y815-F1108 AromaticContact CE1-CZ 3.46Å; Y815-F1108 HydrophobicContact CE1-CZ 3.46Å; Y815-F1108 VanDerWaalsContact CE1-CZ 3.46Å; I1100-F1108 HydrophobicContact CG2-CE2 3.95Å; I1102-F1108 HydrophobicContact CB-CG 4.43Å; I1102-F1108 HydrophobicContact CD1-CD1 3.64Å; I1102-F1108 HydrophobicContact CD1-CE1 3.57Å; I1102-F1108 HydrophobicContact CD1-CG 4.25Å; I1102-F1108 HydrophobicContact CD1-CZ 4.13Å; I1102-F1108 HydrophobicContact CG1-CD1 3.82Å; I1102-F1108 HydrophobicContact CG1-CD2 4.13Å; I1102-F1108 HydrophobicContact CG1-CE1 4.02Å; I1102-F1108 HydrophobicContact CG1-CE2 4.33Å; I1102-F1108 HydrophobicContact CG1-CG 3.89Å; I1102-F1108 HydrophobicContact CG1-CZ 4.29Å; I1102-F1108 HydrophobicContact CG2-CB 3.76Å; I1102-F1108 HydrophobicContact CG2-CD1 3.98Å; I1102-F1108 HydrophobicContact CG2-CG 3.93Å; N1104-F1108 WeakPolarHBondContact O-CB 3.17Å; N1104-F1108 PolarHBondContact O-N 3.03Å; F1106-F1108 VanDerWaalsContact C-N 3.33Å; F1106-F1108 PolarHBondContact O-N 2.91Å; F1108-S1110 PolarHBondContact O-N 3.38Å; F1108-T1111 PolarHBondContact O-N 2.58Å; F1108-T1111 PolarHBondContact O-OG1 3.49Å; F1108-I1112 HydrophobicContact CD1-CD1 4.06Å; F1108-I1112 HydrophobicContact CD1-CG1 4.29Å; F1108-I1112 HydrophobicContact CE1-CD1 3.74Å; F1108-I1112 HydrophobicContact CE1-CG1 3.89Å; F1108-I1112 HydrophobicContact CZ-CG1 4.31Å; F1108-I1112 PolarHBondContact O-N 3.01Å
1109R84.8Confident79.3Confident13 Ų1365.7 Ų65.75%0.04934%0.34CS..Hα-helixtrans-55.2-39.1175.7-174.6-176.8-170.582.111.5112.4Y733 R736 K737 A739 L1105 F1106 T1111 I1112Y733-R1109 VanDerWaalsContact CD1-NH1 3.26Å; Y733-R1109 HydrophobicContact CE1-CB 4.48Å; Y733-R1109 HydrophobicContact CE1-CG 4.49Å; Y733-R1109 VanDerWaalsContact CE1-NH1 3.28Å; Y733-R1109 VanDerWaalsContact CE2-CZ 3.44Å; Y733-R1109 PolarHBondContact O-NH1 3.26Å; Y733-R1109 WeakPolarHBondContact OH-CD 3.39Å; R736-R1109 PolarHBondContact O-NH2 3.26Å; K737-R1109 PolarHBondContact O-NH2 2.97Å; A739-R1109 PolarHBondContact O-NH2 3.21Å; A739-R1109 VanDerWaalsContact O-NH2 3.08Å; L1105-R1109 WeakPolarHBondContact O-CB 3.26Å; L1105-R1109 PolarHBondContact O-N 3.48Å; F1106-R1109 PolarHBondContact O-N 3.02Å; R1109-T1111 PolarHBondContact O-N 3.24Å; R1109-I1112 PolarHBondContact O-N 3.23Å
1110S84.7Confident77.9Confident66 Ų6669.7 Ų69.746%0.46237%0.366SS..THydrogen-bonded Turntrans-66.8-15178.973.70000114.4F1106 K1107 F1108F1106-S1110 PolarHBondContact O-N 2.85Å; F1106-S1110 VanDerWaalsContact O-N 3.16Å; K1107-S1110 PolarHBondContact O-N 2.54Å; K1107-S1110 PolarHBondContact O-OG 3.18Å; F1108-S1110 PolarHBondContact O-N 3.38Å
1111T84.7Confident77.3Confident92 Ų9270.7 Ų70.756%0.56437%0.371SS*.THydrogen-bonded Turntrans-95.1-11.3177.162.80000113.5F1108 R1109 Q1113F1108-T1111 PolarHBondContact O-N 2.58Å; F1108-T1111 PolarHBondContact O-OG1 3.49Å; R1109-T1111 PolarHBondContact O-N 3.24Å; T1111-Q1113 PolarHBondContact O-N 3.1Å
1112I83.3Confident76.5Confident5 Ų571.4 Ų71.43%0.02638%0.378CS..  trans-72128.4-177.4-61.4174.8000109.9L734 S808 L810 F1108 R1109 Y1114L734-I1112 HydrophobicContact CD2-CD1 4.19Å; S808-I1112 VanDerWaalsContact CB-CG2 3.49Å; L810-I1112 HydrophobicContact CD2-CG2 4.48Å; F1108-I1112 HydrophobicContact CD1-CD1 4.06Å; F1108-I1112 HydrophobicContact CD1-CG1 4.29Å; F1108-I1112 HydrophobicContact CE1-CD1 3.74Å; F1108-I1112 HydrophobicContact CE1-CG1 3.89Å; F1108-I1112 HydrophobicContact CZ-CG1 4.31Å; F1108-I1112 PolarHBondContact O-N 3.01Å; R1109-I1112 PolarHBondContact O-N 3.23Å; I1112-Y1114 HydrophobicContact CB-CE2 3.87Å; I1112-Y1114 HydrophobicContact CG2-CD1 4.47Å; I1112-Y1114 HydrophobicContact CG2-CD2 4.22Å; I1112-Y1114 HydrophobicContact CG2-CE1 3.97Å; I1112-Y1114 HydrophobicContact CG2-CE2 3.65Å; I1112-Y1114 WeakPolarHBondContact O-CD2 3.46Å; I1112-Y1114 VanDerWaalsContact O-CE2 3.31Å; I1112-Y1114 WeakPolarHBondContact O-CE2 3.47Å
1113Q81.9Confident75.7Confident122 Ų12275.3 Ų75.357%0.5740%0.399SS*.EExtended strand (participates in β ladder)trans-85.5147168.2-64.7-173.51.800109.9I809 T1111I809-Q1113 PolarHBondContact N-O 3.28Å; T1111-Q1113 PolarHBondContact O-N 3.1Å
1114Y78.2Confident74.9Confident4 Ų476.6 Ų76.62%0.01641%0.405CS..EExtended strand (participates in β ladder)trans-124.9153.7177.5-61.3-92.5000109.5K737 D806 T807 I1112 T1116 G1117 V1120K737-Y1114 HydrophobicContact CB-CD1 3.53Å; K737-Y1114 HydrophobicContact CB-CE1 3.66Å; K737-Y1114 HydrophobicContact CB-CG 4Å; K737-Y1114 HydrophobicContact CD-CD1 4.38Å; K737-Y1114 HydrophobicContact CD-CD2 4.37Å; K737-Y1114 HydrophobicContact CD-CG 4.03Å; K737-Y1114 HydrophobicContact CG-CD1 4.18Å; K737-Y1114 HydrophobicContact CG-CD2 4.31Å; K737-Y1114 HydrophobicContact CG-CE1 4.34Å; K737-Y1114 HydrophobicContact CG-CE2 4.5Å; K737-Y1114 HydrophobicContact CG-CG 4.15Å; D806-Y1114 VanDerWaalsContact OD2-CB 3.22Å; D806-Y1114 WeakPolarHBondContact OD2-CB 3.39Å; T807-Y1114 WeakPolarHBondContact O-CA 3.21Å; T807-Y1114 WeakPolarHBondContact O-CD1 3.48Å; I1112-Y1114 HydrophobicContact CB-CE2 3.87Å; I1112-Y1114 HydrophobicContact CG2-CD1 4.47Å; I1112-Y1114 HydrophobicContact CG2-CD2 4.22Å; I1112-Y1114 HydrophobicContact CG2-CE1 3.97Å; I1112-Y1114 HydrophobicContact CG2-CE2 3.65Å; I1112-Y1114 WeakPolarHBondContact O-CD2 3.46Å; I1112-Y1114 VanDerWaalsContact O-CE2 3.31Å; I1112-Y1114 WeakPolarHBondContact O-CE2 3.47Å; Y1114-T1116 PolarHBondContact O-N 2.79Å; Y1114-T1116 VanDerWaalsContact O-N 3.08Å; Y1114-G1117 PolarHBondContact O-N 3.04Å; Y1114-V1120 HydrophobicContact CD2-CG2 4.04Å; Y1114-V1120 HydrophobicContact CE2-CB 4.39Å; Y1114-V1120 HydrophobicContact CE2-CG2 3.31Å
1115Q68.9Low74.1Confident65 Ų6576.3 Ų76.330%0.30440%0.403SS..THydrogen-bonded Turntrans-56.4-29.5-171.2-61.8175.6-54.300114.2D806 T807 I809 T885 H887 G1117D806-Q1115 WeakPolarHBondContact OD1-CA 3.13Å; D806-Q1115 WeakPolarHBondContact OD1-CB 3.36Å; D806-Q1115 PolarHBondContact OD1-N 3.15Å; T807-Q1115 PolarHBondContact O-N 3.43Å; T807-Q1115 VanDerWaalsContact OG1-CD 3.3Å; T807-Q1115 PolarHBondContact OG1-OE1 3.47Å; I809-Q1115 HydrophobicContact CD1-CB 4.42Å; I809-Q1115 HydrophobicContact CD1-CG 3.95Å; I809-Q1115 HydrophobicContact CG1-CG 3.81Å; T885-Q1115 PolarHBondContact OG1-NE2 3.47Å; T885-Q1115 PolarHBondContact OG1-OE1 3.01Å; H887-Q1115 PolarHBondContact CE1-NE2 3.48Å; Q1115-G1117 PolarHBondContact O-N 3.02Å
1116T64.8Low73.3Confident76 Ų7680.9 Ų80.947%0.46643%0.428SS..THydrogen-bonded Turntrans-77.56.2175.169.10000115K737 D806 Y1114 R1118K737-T1116 PolarHBondContact NZ-OG1 3.49Å; D806-T1116 HydrophobicContact CB-CG2 4.21Å; D806-T1116 PolarHBondContact OD1-N 3.17Å; D806-T1116 WeakPolarHBondContact OD2-CB 3.44Å; D806-T1116 PolarHBondContact OD2-N 2.93Å; D806-T1116 PolarHBondContact OD2-OG1 3.05Å; Y1114-T1116 PolarHBondContact O-N 2.79Å; Y1114-T1116 VanDerWaalsContact O-N 3.08Å; T1116-R1118 PolarHBondContact O-N 3.4Å
1117G54.9Low72.5Confident70 Ų7078.3 Ų78.372%0.72242%0.421SS*.SBendtrans71.110.6174.500000115.3Y1114 Q1115Y1114-G1117 PolarHBondContact O-N 3.04Å; Q1115-G1117 PolarHBondContact O-N 3.02Å
1118R49.6Very low71.5Confident185 Ų18572.5 Ų72.570%0.69840%0.403SS*.  trans-106120.4175.1-64.5175.2-174.5178.41.9109.7K737 T1116K737-R1118 PolarHBondContact NZ-O 3.08Å; T1116-R1118 PolarHBondContact O-N 3.4Å
1119N52.8Low70.3Confident107 Ų10776.1 Ų76.157%0.57243%0.425SS*.  trans-63.5152.5166.6-63.9-12.5000110.2
1120V54.5Low68.9Low108 Ų10881.8 Ų81.866%0.65546%0.459SS*.  trans-71.50175.4170.40000111.1K737 Y1114K737-V1120 HydrophobicContact CG-CG2 4.07Å; Y1114-V1120 HydrophobicContact CD2-CG2 4.04Å; Y1114-V1120 HydrophobicContact CE2-CB 4.39Å; Y1114-V1120 HydrophobicContact CE2-CG2 3.31Å

Retrieved 1,120 of 1,120 residues in 1207.6 ms (Link to these results)

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