A0A077ZH52_TRITR Loading...

Aldedh domain containing protein

AlphaFold DB (P37685), UniProt , Accession A0A077ZH52, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 512 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
1M49.9Very low63Low203 Ų20391.9 Ų91.9100%152%0.522SS*.  01080-70.2-169.5-152.400110.3E102M1-E102 PolarHBondContact N-OE1 3.15Å
2T51.1Low64.3Low67 Ų6786.5 Ų86.541%0.41149%0.493SS..  trans-89.1127.7179.450.20000110.9N4 G16T2-N4 PolarHBondContact O-N 2.76Å; T2-G16 VanDerWaalsContact OG1-C 3.24Å; T2-G16 PolarHBondContact OG1-O 3Å; T2-G16 VanDerWaalsContact OG1-O 3.11Å
3N53.6Low65.2Low167 Ų16782.2 Ų82.289%0.89348%0.48SS*.  trans-79.391.1165.4-81.1-17.1000107.4
4N57.2Low66.2Low44 Ų4484.9 Ų84.924%0.23549%0.486CS..  trans-59.4132172.4-69.2-43.5000109T2 A8 Y15 G16T2-N4 PolarHBondContact O-N 2.76Å; N4-A8 HydrophobicContact CB-CB 4.16Å; N4-Y15 HydrophobicContact CB-CD2 4.24Å; N4-Y15 HydrophobicContact CB-CE2 3.93Å; N4-Y15 WeakPolarHBondContact ND2-CE1 3.47Å; N4-Y15 WeakPolarHBondContact ND2-CE2 3.21Å; N4-G16 PolarHBondContact ND2-N 2.94Å; N4-G16 PolarHBondContact OD1-N 3.44Å
5P56.1Low67.2Low75 Ų7581.8 Ų81.849%0.48746%0.463SS..  trans-60.9150.717422.8-29.8000109.8S7 A8P5-S7 PolarHBondContact O-N 2.74Å; P5-A8 HydrophobicContact CG-CB 4.1Å; P5-A8 WeakPolarHBondContact O-CB 3.36Å; P5-A8 PolarHBondContact O-N 3.1Å
6P55.1Low67.8Low150 Ų15077.4 Ų77.497%0.97444%0.442SS*.THydrogen-bonded Turntrans-55.6-18.7179.5-24.532.6000114.4
7S56.3Low68.8Low102 Ų10276.2 Ų76.271%0.71343%0.431SS*.THydrogen-bonded Turntrans-94.3-1.9179.262.20000114.7P5 Q9P5-S7 PolarHBondContact O-N 2.74Å; S7-Q9 PolarHBondContact O-N 3.1Å
8A63.9Low69.2Low25 Ų2576.5 Ų76.521%0.20744%0.436CS..  trans-66.7123.6-179.900000110N4 P5 Y15N4-A8 HydrophobicContact CB-CB 4.16Å; P5-A8 HydrophobicContact CG-CB 4.1Å; P5-A8 WeakPolarHBondContact O-CB 3.36Å; P5-A8 PolarHBondContact O-N 3.1Å; A8-Y15 HydrophobicContact CB-CD2 3.98Å
9Q79.4Confident70Confident87 Ų8773 Ų7341%0.40742%0.416SS..  trans-72.2132.7172.7-69.2-177.9-2.900108.7S7 K11 Y15 E384S7-Q9 PolarHBondContact O-N 3.1Å; Q9-K11 HydrophobicContact CB-CD 3.95Å; Q9-K11 HydrophobicContact CB-CG 4.06Å; Q9-K11 PolarHBondContact O-N 3.42Å; Q9-Y15 WeakPolarHBondContact O-CB 3.42Å; Q9-E384 WeakPolarHBondContact CA-OE2 3.42Å; Q9-E384 VanDerWaalsContact CB-OE1 3.27Å; Q9-E384 WeakPolarHBondContact CB-OE1 3.18Å; Q9-E384 WeakPolarHBondContact CG-OE1 3.38Å
10I85.2Confident70.7Confident27 Ų2779.2 Ų79.214%0.13844%0.438CS..SBendtrans-69.776.2175-53.8172.4000108Y15 T49 W110 E384 L385I10-Y15 HydrophobicContact CG1-CD2 3.97Å; I10-Y15 HydrophobicContact CG1-CE2 4.02Å; I10-Y15 HydrophobicContact CG1-CG 4.38Å; I10-T49 HydrophobicContact CG2-CG2 4.18Å; I10-W110 HydrophobicContact CG2-CH2 3.86Å; I10-W110 HydrophobicContact CG2-CZ3 4.46Å; I10-E384 HydrophobicContact CB-CB 4.19Å; I10-E384 WeakPolarHBondContact CB-OE2 3.38Å; I10-E384 WeakPolarHBondContact CG1-OE2 3.49Å; I10-E384 PolarHBondContact N-OE2 3.01Å; I10-L385 HydrophobicContact CD1-CD2 4.05Å; I10-L385 HydrophobicContact CD1-CG 4.18Å; I10-L385 HydrophobicContact CG2-CD2 3.98Å
11K84.7Confident71.5Confident64 Ų6477.4 Ų77.428%0.27843%0.427SS..  trans-130.2144.1180-70.6179.1175178.10110.5Q9 G13 E14 Y15 W110Q9-K11 HydrophobicContact CB-CD 3.95Å; Q9-K11 HydrophobicContact CB-CG 4.06Å; Q9-K11 PolarHBondContact O-N 3.42Å; K11-G13 PolarHBondContact O-N 2.9Å; K11-E14 HydrophobicContact CB-CB 4.24Å; K11-E14 HydrophobicContact CB-CG 4.46Å; K11-E14 PolarHBondContact O-N 3.21Å; K11-Y15 PolarHBondContact O-N 3.4Å; K11-Y15 VanDerWaalsContact O-N 3.09Å; K11-W110 VanDerWaalsContact C-CH2 3.48Å; K11-W110 VanDerWaalsContact C-CZ2 3.48Å; K11-W110 WeakPolarHBondContact O-CZ2 3.35Å
12P78.7Confident73.6Confident27 Ų2772 Ų7218%0.17540%0.398CS..THydrogen-bonded Turntrans-53.5130.7172.8-25.834.6000111.8E14 L21 T46 L53 W110P12-E14 VanDerWaalsContact C-N 3.27Å; P12-E14 PolarHBondContact O-N 2.65Å; P12-L21 HydrophobicContact CB-CD1 3.74Å; P12-T46 HydrophobicContact CG-CG2 4.17Å; P12-L53 HydrophobicContact CB-CD2 3.57Å; P12-L53 HydrophobicContact CG-CD2 3.4Å; P12-L53 VanDerWaalsContact CG-CD2 3.4Å; P12-L53 HydrophobicContact CG-CG 4.44Å; P12-W110 HydrophobicContact CG-CD2 4.32Å; P12-W110 HydrophobicContact CG-CE3 4.03Å; P12-W110 HydrophobicContact CG-CH2 4.4Å; P12-W110 HydrophobicContact CG-CZ3 4.09Å
13G76.6Confident75.7Confident31 Ų3173 Ų7332%0.3241%0.413SS..THydrogen-bonded Turntrans83.9-17.4-178.300000115.6K11 L19K11-G13 PolarHBondContact O-N 2.9Å; G13-L19 WeakPolarHBondContact CA-O 3.46Å
14E79.3Confident77.8Confident120 Ų12070.2 Ų70.256%0.56139%0.39SS*.THydrogen-bonded Turntrans-106.6-31.2-179.7-64-177.6-159.600113.3K11 P12K11-E14 HydrophobicContact CB-CB 4.24Å; K11-E14 HydrophobicContact CB-CG 4.46Å; K11-E14 PolarHBondContact O-N 3.21Å; P12-E14 VanDerWaalsContact C-N 3.27Å; P12-E14 PolarHBondContact O-N 2.65Å
15Y81.2Confident79.7Confident38 Ų3868.2 Ų68.215%0.14938%0.379CS..SBendtrans-110.8133.3-178.6-168.8-84.7000112.6N4 A8 Q9 I10 K11 N338 L340N4-Y15 HydrophobicContact CB-CD2 4.24Å; N4-Y15 HydrophobicContact CB-CE2 3.93Å; N4-Y15 WeakPolarHBondContact ND2-CE1 3.47Å; N4-Y15 WeakPolarHBondContact ND2-CE2 3.21Å; A8-Y15 HydrophobicContact CB-CD2 3.98Å; Q9-Y15 WeakPolarHBondContact O-CB 3.42Å; I10-Y15 HydrophobicContact CG1-CD2 3.97Å; I10-Y15 HydrophobicContact CG1-CE2 4.02Å; I10-Y15 HydrophobicContact CG1-CG 4.38Å; K11-Y15 PolarHBondContact O-N 3.4Å; K11-Y15 VanDerWaalsContact O-N 3.09Å; Y15-N338 WeakPolarHBondContact CE1-ND2 3.12Å; Y15-N338 VanDerWaalsContact CZ-ND2 3.31Å; Y15-N338 PolarHBondContact OH-ND2 3.23Å; Y15-L340 HydrophobicContact CD1-CB 3.89Å; Y15-L340 HydrophobicContact CD1-CD1 3.77Å; Y15-L340 HydrophobicContact CD1-CG 4.48Å; Y15-L340 HydrophobicContact CE1-CB 3.71Å; Y15-L340 HydrophobicContact CE1-CD1 4.4Å
16G77.2Confident81.8Confident12 Ų1266.6 Ų66.612%0.12437%0.367CS..SBendtrans91.3-143.8178.500000112.1T2 N4T2-G16 VanDerWaalsContact OG1-C 3.24Å; T2-G16 PolarHBondContact OG1-O 3Å; T2-G16 VanDerWaalsContact OG1-O 3.11Å; N4-G16 PolarHBondContact ND2-N 2.94Å; N4-G16 PolarHBondContact OD1-N 3.44Å
17F83.5Confident83.8Confident57 Ų5759.4 Ų59.425%0.2532%0.32CS..SBendtrans-70.9135.5171.4-172.2-89.2000109.2L19 E102 L103 T106F17-L19 PolarHBondContact O-N 3.12Å; F17-E102 HydrophobicContact CD2-CB 3.55Å; F17-E102 HydrophobicContact CD2-CG 4.44Å; F17-E102 WeakPolarHBondContact CD2-OE2 3.47Å; F17-E102 HydrophobicContact CE2-CB 3.7Å; F17-E102 VanDerWaalsContact CE2-OE2 3.25Å; F17-E102 WeakPolarHBondContact CE2-OE2 3.41Å; F17-E102 HydrophobicContact CG-CB 4.09Å; F17-E102 HydrophobicContact CZ-CB 4.35Å; F17-L103 HydrophobicContact CD1-CB 4.24Å; F17-L103 HydrophobicContact CD1-CD1 4.29Å; F17-L103 HydrophobicContact CE1-CB 3.73Å; F17-L103 HydrophobicContact CE1-CD1 4.03Å; F17-L103 HydrophobicContact CE1-CG 4.48Å; F17-L103 HydrophobicContact CZ-CB 4.43Å; F17-T106 HydrophobicContact CB-CG2 4.05Å; F17-T106 VanDerWaalsContact CB-OG1 3.26Å; F17-T106 WeakPolarHBondContact CB-OG1 3.46Å
18P76.6Confident85.9Confident81 Ų8155 Ų5553%0.52629%0.288SS..  trans-63.1110.6-176.324.7-33.8000111.2
19L83.7Confident87.5Confident10 Ų1054.5 Ų54.55%0.05228%0.282CS..  trans-88.9113.4169.9-61.3-172.3000109.3G13 F17 L21 L103 T106 A107 W110G13-L19 WeakPolarHBondContact CA-O 3.46Å; F17-L19 PolarHBondContact O-N 3.12Å; L19-L21 HydrophobicContact CB-CD1 4.4Å; L19-L21 HydrophobicContact CB-CD2 3.98Å; L19-L21 HydrophobicContact CB-CG 3.77Å; L19-L21 HydrophobicContact CD1-CD1 4.4Å; L19-L21 HydrophobicContact CD1-CD2 4.14Å; L19-L21 HydrophobicContact CD1-CG 4.39Å; L19-L21 PolarHBondContact O-N 3.43Å; L19-L103 HydrophobicContact CD2-CD1 3.57Å; L19-T106 HydrophobicContact CD1-CG2 4.11Å; L19-T106 HydrophobicContact CD2-CG2 3.87Å; L19-T106 HydrophobicContact CG-CG2 3.9Å; L19-A107 HydrophobicContact CD2-CB 4.41Å; L19-W110 HydrophobicContact CD1-CB 4.45Å; L19-W110 HydrophobicContact CD1-CG 4.11Å
20K84.4Confident88.5Confident196 Ų19651.4 Ų51.485%0.85227%0.274SS*.  trans-79.765.8169.2-68.1-177.4180177.50109.9K22K20-K22 PolarHBondContact O-N 3.28Å
21L87.8Confident89.1Confident42 Ų4251.3 Ų51.322%0.2228%0.279CS..  trans-65.7129.1-178.2-63.3179.2000110.7P12 L19 L53 L201P12-L21 HydrophobicContact CB-CD1 3.74Å; L19-L21 HydrophobicContact CB-CD1 4.4Å; L19-L21 HydrophobicContact CB-CD2 3.98Å; L19-L21 HydrophobicContact CB-CG 3.77Å; L19-L21 HydrophobicContact CD1-CD1 4.4Å; L19-L21 HydrophobicContact CD1-CD2 4.14Å; L19-L21 HydrophobicContact CD1-CG 4.39Å; L19-L21 PolarHBondContact O-N 3.43Å; L21-L53 HydrophobicContact CD1-CD2 4.22Å; L21-L201 HydrophobicContact CD2-CD1 4Å; L21-L201 HydrophobicContact CD2-CD2 3.88Å; L21-L201 HydrophobicContact CD2-CG 4.5Å
22K93.6Very high89.8Confident90 Ų9054.5 Ų54.539%0.39130%0.295SS..  trans-69.6144.8162.9-62.6173.9178.4167.40108.5K20 R24 Y25 C54 E208K20-K22 PolarHBondContact O-N 3.28Å; K22-R24 VanDerWaalsContact CB-O 3.26Å; K22-R24 WeakPolarHBondContact CB-O 3.25Å; K22-R24 PolarHBondContact O-N 2.95Å; K22-R24 VanDerWaalsContact O-N 3.14Å; K22-Y25 HydrophobicContact CB-CD2 4.4Å; K22-Y25 HydrophobicContact CB-CE1 4.21Å; K22-Y25 HydrophobicContact CB-CE2 3.97Å; K22-Y25 HydrophobicContact CD-CD1 4.18Å; K22-Y25 HydrophobicContact CD-CE1 3.91Å; K22-Y25 HydrophobicContact CG-CE1 4.23Å; K22-Y25 PolarHBondContact N-OH 3.47Å; K22-Y25 WeakPolarHBondContact O-CE2 3.4Å; K22-C54 WeakPolarHBondContact O-CB 3.27Å; K22-E208 WeakPolarHBondContact CE-OE1 3.16Å; K22-E208 IonicContact NZ-OE1 3.68Å; K22-E208 PolarHBondContact NZ-OE1 3.18Å
23A94.9Very high90.7Very high88 Ų8856.9 Ų56.973%0.72730%0.3SS*.SBendtrans-58.1-26.9171.500000111.8E55A23-E55 PolarHBondContact O-N 2.89Å
24R97.7Very high91.8Very high108 Ų10857.5 Ų57.541%0.40830%0.298SS..EExtended strand (participates in β ladder)trans-147141.7-175.6173.6177.9-70.7-168.44.9111.4K22 Y41 E55K22-R24 VanDerWaalsContact CB-O 3.26Å; K22-R24 WeakPolarHBondContact CB-O 3.25Å; K22-R24 PolarHBondContact O-N 2.95Å; K22-R24 VanDerWaalsContact O-N 3.14Å; R24-Y41 HydrophobicContact CG-CD1 3.59Å; R24-Y41 HydrophobicContact CG-CE1 3.26Å; R24-Y41 VanDerWaalsContact NH1-CE2 3.29Å; R24-E55 CarbonylContact C-O 3.6Å; R24-E55 VanDerWaalsContact CA-O 3.26Å; R24-E55 WeakPolarHBondContact CA-O 3.18Å; R24-E55 HydrophobicContact CB-CB 4.32Å; R24-E55 HydrophobicContact CG-CB 4.44Å; R24-E55 IonicContact CZ-OE2 2.76Å; R24-E55 IonicContact NE-OE2 3.7Å; R24-E55 PolarHBondContact NE-OE2 3.42Å; R24-E55 VanDerWaalsContact NE-OE2 3.15Å; R24-E55 IonicContact NH2-OE2 2.94Å; R24-E55 PolarHBondContact NH2-OE2 2.7Å
25Y98.6Very high92.7Very high2 Ų254.1 Ų54.11%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-119.2128.9170.7-66.8-94.6000111.3K22 C54 E55 V56 A57 L201 L204 L205 E208K22-Y25 HydrophobicContact CB-CD2 4.4Å; K22-Y25 HydrophobicContact CB-CE1 4.21Å; K22-Y25 HydrophobicContact CB-CE2 3.97Å; K22-Y25 HydrophobicContact CD-CD1 4.18Å; K22-Y25 HydrophobicContact CD-CE1 3.91Å; K22-Y25 HydrophobicContact CG-CE1 4.23Å; K22-Y25 PolarHBondContact N-OH 3.47Å; K22-Y25 WeakPolarHBondContact O-CE2 3.4Å; Y25-C54 HydrophobicContact CD2-CB 3.95Å; Y25-C54 HydrophobicContact CE2-CB 3.92Å; Y25-E55 PolarHBondContact N-O 3.05Å; Y25-V56 WeakPolarHBondContact O-CA 3.32Å; Y25-A57 PolarHBondContact O-N 3.09Å; Y25-L201 HydrophobicContact CD2-CD1 4.37Å; Y25-L201 HydrophobicContact CE2-CD1 3.71Å; Y25-L204 HydrophobicContact CD1-CB 4.12Å; Y25-L204 HydrophobicContact CD1-CD1 4.41Å; Y25-L204 HydrophobicContact CG-CD1 4.02Å; Y25-L205 HydrophobicContact CE1-CD2 4.13Å; Y25-E208 WeakPolarHBondContact CE1-OE1 3.33Å
26D98.8Very high93.5Very high41 Ų4152.5 Ų52.522%0.21929%0.285CS..  trans-85.1179.7176.4-69.22.8000110.6W33 A35 Y41D26-W33 HydrophobicContact CB-CB 4.31Å; D26-W33 HydrophobicContact CB-CE3 4.37Å; D26-W33 WeakPolarHBondContact O-CZ3 3.23Å; D26-A35 PolarHBondContact OD2-N 2.99Å; D26-Y41 PolarHBondContact OD1-OH 3.22Å
27N98.9Very high94.5Very high0 Ų054.3 Ų54.30%030%0.298CS..EExtended strand (participates in β ladder)trans-75.1156.3168.8-61.9-51.8000110.6I29 W33 V34 S59 V221 N223N27-I29 HydrophobicContact CB-CD1 3.9Å; N27-I29 HydrophobicContact CB-CG1 4.03Å; N27-W33 CarbonylContact O-C 3.59Å; N27-W33 VanDerWaalsContact O-CA 3.3Å; N27-W33 WeakPolarHBondContact O-CA 3.5Å; N27-V34 WeakPolarHBondContact CB-O 3.33Å; N27-V34 PolarHBondContact N-O 2.86Å; N27-V34 PolarHBondContact O-N 3.37Å; N27-S59 PolarHBondContact ND2-OG 3.32Å; N27-S59 PolarHBondContact OD1-OG 3.48Å; N27-S59 VanDerWaalsContact OD1-OG 3.12Å; N27-V221 WeakPolarHBondContact CB-O 3.16Å; N27-N223 PolarHBondContact OD1-N 3.47Å
28F98.9Very high95.2Very high10 Ų1055.7 Ų55.74%0.04431%0.308CS..EExtended strand (participates in β ladder)trans-104.4103.4170.5-174-99.7000108.8E32 W33 M207 N220 V221F28-E32 CarbonylContact C-O 3.56Å; F28-E32 WeakPolarHBondContact CA-O 3.38Å; F28-W33 HydrophobicContact CB-CE3 4.4Å; F28-W33 HydrophobicContact CB-CH2 4.37Å; F28-W33 HydrophobicContact CB-CZ3 4.15Å; F28-W33 HydrophobicContact CD2-CD2 4.28Å; F28-W33 AromaticContact CD2-CE2 4Å; F28-W33 HydrophobicContact CD2-CH2 4.47Å; F28-W33 HydrophobicContact CD2-CZ2 4.09Å; F28-M207 HydrophobicContact CB-CB 4.29Å; F28-M207 HydrophobicContact CB-CG 4.18Å; F28-M207 HydrophobicContact CD1-CB 4.24Å; F28-M207 HydrophobicContact CD1-CG 4.02Å; F28-M207 HydrophobicContact CD1-SD 3.95Å; F28-M207 HydrophobicContact CD2-CB 4.09Å; F28-M207 HydrophobicContact CE1-SD 4.17Å; F28-M207 HydrophobicContact CE2-CB 4.49Å; F28-M207 HydrophobicContact CG-CB 3.95Å; F28-M207 HydrophobicContact CG-CG 4.05Å; F28-N220 CarbonylContact O-C 3.51Å; F28-N220 WeakPolarHBondContact O-CA 3.4Å; F28-V221 HydrophobicContact CB-CB 4.16Å; F28-V221 HydrophobicContact CB-CG2 4.49Å; F28-V221 PolarHBondContact N-O 2.91Å; F28-V221 PolarHBondContact O-N 2.91Å
29I98.9Very high96.2Very high13 Ų1354.2 Ų54.27%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-131.9126.8-173.5-64.3174.4000109.1N27 G31 E32 V34 L66 A67 A70 V222N27-I29 HydrophobicContact CB-CD1 3.9Å; N27-I29 HydrophobicContact CB-CG1 4.03Å; I29-G31 PolarHBondContact O-N 3.01Å; I29-E32 PolarHBondContact N-O 2.91Å; I29-E32 PolarHBondContact O-N 3.46Å; I29-E32 VanDerWaalsContact O-N 3.13Å; I29-V34 HydrophobicContact CB-CB 4.37Å; I29-V34 HydrophobicContact CB-CG2 4.04Å; I29-L66 HydrophobicContact CD1-CB 4.32Å; I29-L66 HydrophobicContact CG2-CB 4.3Å; I29-A67 HydrophobicContact CD1-CB 4.34Å; I29-A67 HydrophobicContact CG1-CB 4.22Å; I29-A67 HydrophobicContact CG2-CB 4.49Å; I29-A70 HydrophobicContact CG2-CB 4.11Å; I29-V222 HydrophobicContact CD1-CG2 4.18Å; I29-V222 HydrophobicContact CG1-CG2 4.31Å
30G98.6Very high96.9Very high23 Ų2359.4 Ų59.424%0.23733%0.332CS..THydrogen-bonded Turntrans62.331.1175.900000113.9E32 P216 N220G30-E32 VanDerWaalsContact C-N 3.3Å; G30-P216 WeakPolarHBondContact O-CB 3.44Å; G30-N220 PolarHBondContact N-OD1 2.9Å
31G98.4Very high97.6Very high24 Ų2452 Ų5225%0.24730%0.299CS..THydrogen-bonded Turntrans83-0.5-178.200000115I29I29-G31 PolarHBondContact O-N 3.01Å
32E98.7Very high98.1Very high131 Ų13150.8 Ų50.861%0.61229%0.291SS*.EExtended strand (participates in β ladder)trans-123.5157.4-174.6-62.4-63.2156.600111.7F28 I29 G30 V34F28-E32 CarbonylContact C-O 3.56Å; F28-E32 WeakPolarHBondContact CA-O 3.38Å; I29-E32 PolarHBondContact N-O 2.91Å; I29-E32 PolarHBondContact O-N 3.46Å; I29-E32 VanDerWaalsContact O-N 3.13Å; G30-E32 VanDerWaalsContact C-N 3.3Å; E32-V34 HydrophobicContact CB-CG2 4.32Å
33W98.7Very high98.3Very high77 Ų7752.4 Ų52.429%0.29230%0.3SS..EExtended strand (participates in β ladder)trans-83.2115.5170.4-6798.1000109.7D26 N27 F28 L204 M207 E208D26-W33 HydrophobicContact CB-CB 4.31Å; D26-W33 HydrophobicContact CB-CE3 4.37Å; D26-W33 WeakPolarHBondContact O-CZ3 3.23Å; N27-W33 CarbonylContact O-C 3.59Å; N27-W33 VanDerWaalsContact O-CA 3.3Å; N27-W33 WeakPolarHBondContact O-CA 3.5Å; F28-W33 HydrophobicContact CB-CE3 4.4Å; F28-W33 HydrophobicContact CB-CH2 4.37Å; F28-W33 HydrophobicContact CB-CZ3 4.15Å; F28-W33 HydrophobicContact CD2-CD2 4.28Å; F28-W33 AromaticContact CD2-CE2 4Å; F28-W33 HydrophobicContact CD2-CH2 4.47Å; F28-W33 HydrophobicContact CD2-CZ2 4.09Å; W33-L204 HydrophobicContact CH2-CB 4.38Å; W33-L204 HydrophobicContact CH2-CD2 4.12Å; W33-L204 WeakPolarHBondContact CH2-O 3.49Å; W33-L204 HydrophobicContact CZ3-CD2 3.73Å; W33-M207 HydrophobicContact CH2-CB 4.08Å; W33-M207 HydrophobicContact CZ2-CB 4.13Å; W33-E208 HydrophobicContact CH2-CG 4.15Å; W33-E208 HydrophobicContact CZ2-CB 4.46Å; W33-E208 HydrophobicContact CZ2-CG 3.4Å
34V98.8Very high98.4Very high44 Ų4448.5 Ų48.527%0.26727%0.267SS..EExtended strand (participates in β ladder)trans-122.2115.9-171.8-176.20000110N27 I29 E32N27-V34 WeakPolarHBondContact CB-O 3.33Å; N27-V34 PolarHBondContact N-O 2.86Å; N27-V34 PolarHBondContact O-N 3.37Å; I29-V34 HydrophobicContact CB-CB 4.37Å; I29-V34 HydrophobicContact CB-CG2 4.04Å; E32-V34 HydrophobicContact CB-CG2 4.32Å
35A98.7Very high98.4Very high49 Ų4946.5 Ų46.541%0.40526%0.264SS..  trans-55.3146.2173.700000111.2D26 A37D26-A35 PolarHBondContact OD2-N 2.99Å; A35-A37 PolarHBondContact O-N 3.44Å
36P98.7Very high98.3Very high5 Ų546.4 Ų46.43%0.03226%0.264CS..  trans-61.3138.2178.725.3-28.2000110.1D38 G39 E40 Y41 A57 D63P36-D38 PolarHBondContact O-N 3.4Å; P36-D38 VanDerWaalsContact O-N 3.1Å; P36-G39 WeakPolarHBondContact O-CA 3.41Å; P36-G39 PolarHBondContact O-N 2.89Å; P36-E40 WeakPolarHBondContact CG-O 3.47Å; P36-Y41 WeakPolarHBondContact CD-OH 3.39Å; P36-Y41 HydrophobicContact CG-CD2 4.26Å; P36-Y41 HydrophobicContact CG-CE1 4.27Å; P36-Y41 HydrophobicContact CG-CE2 3.74Å; P36-A57 HydrophobicContact CB-CB 4.1Å; P36-A57 HydrophobicContact CG-CB 3.84Å; P36-D63 WeakPolarHBondContact CA-OD1 3.39Å
37A98.4Very high98.3Very high49 Ų4944.5 Ų44.541%0.40525%0.253SS..THydrogen-bonded Turntrans-58-30.8-171.300000113.7A35 R62 D63A35-A37 PolarHBondContact O-N 3.44Å; A37-R62 HydrophobicContact CB-CB 3.81Å; A37-D63 PolarHBondContact N-OD1 2.97Å
38D97.3Very high98.2Very high87 Ų8744.5 Ų44.547%0.46525%0.253SS..THydrogen-bonded Turntrans-93.30.9179.4-59-35.5000112.6P36 E40 R62P36-D38 PolarHBondContact O-N 3.4Å; P36-D38 VanDerWaalsContact O-N 3.1Å; D38-E40 PolarHBondContact O-N 3.17Å; D38-R62 IonicContact OD1-NH1 3.93Å; D38-R62 PolarHBondContact OD1-NH1 3.35Å
39G97.6Very high98.1Very high49 Ų4944.1 Ų44.151%0.50525%0.252SS..  trans77.22.1176.500000115.6P36 Y41P36-G39 WeakPolarHBondContact O-CA 3.41Å; P36-G39 PolarHBondContact O-N 2.89Å; G39-Y41 WeakPolarHBondContact O-CD2 3.41Å; G39-Y41 WeakPolarHBondContact O-CE2 3.3Å
40E98.4Very high97.9Very high120 Ų12044.6 Ų44.656%0.56126%0.26SS*.  trans-85.3140.4-173-65.3-60.1146.400113.2P36 D38 S58P36-E40 WeakPolarHBondContact CG-O 3.47Å; D38-E40 PolarHBondContact O-N 3.17Å; E40-S58 WeakPolarHBondContact O-CA 3.39Å; E40-S58 WeakPolarHBondContact O-CB 3.23Å; E40-S58 PolarHBondContact O-N 3.1Å
41Y98.7Very high97.6Very high40 Ų4047.1 Ų47.116%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-131.1152.5176.1-69.3-100.3000110.2R24 D26 P36 G39 E55 V56 A57R24-Y41 HydrophobicContact CG-CD1 3.59Å; R24-Y41 HydrophobicContact CG-CE1 3.26Å; R24-Y41 VanDerWaalsContact NH1-CE2 3.29Å; D26-Y41 PolarHBondContact OD1-OH 3.22Å; P36-Y41 WeakPolarHBondContact CD-OH 3.39Å; P36-Y41 HydrophobicContact CG-CD2 4.26Å; P36-Y41 HydrophobicContact CG-CE1 4.27Å; P36-Y41 HydrophobicContact CG-CE2 3.74Å; G39-Y41 WeakPolarHBondContact O-CD2 3.41Å; G39-Y41 WeakPolarHBondContact O-CE2 3.3Å; Y41-E55 HydrophobicContact CD1-CB 4.4Å; Y41-V56 WeakPolarHBondContact CA-O 3.38Å; Y41-V56 VanDerWaalsContact CD1-C 3.46Å; Y41-A57 HydrophobicContact CD1-CB 4.46Å; Y41-A57 HydrophobicContact CE1-CB 4.13Å
42Y98.3Very high97.4Very high16 Ų1649.9 Ų49.96%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-114.8150.8170.267.3-88.8000111.3E55 V56 A57 R197Y42-E55 CarbonylContact O-C 3.55Å; Y42-E55 WeakPolarHBondContact O-CA 3.22Å; Y42-V56 VanDerWaalsContact CD1-O 3.25Å; Y42-V56 WeakPolarHBondContact CD1-O 3.21Å; Y42-V56 HydrophobicContact CE1-CB 3.89Å; Y42-V56 HydrophobicContact CE1-CG1 3.94Å; Y42-V56 HydrophobicContact CE2-CB 4.06Å; Y42-V56 PolarHBondContact N-O 2.81Å; Y42-V56 PolarHBondContact O-N 3.27Å; Y42-V56 WeakPolarHBondContact OH-CG1 3.3Å; Y42-A57 VanDerWaalsContact CE1-O 3.28Å; Y42-A57 WeakPolarHBondContact CE1-O 3.44Å; Y42-R197 HydrophobicContact CE1-CG 4.29Å; Y42-R197 HydrophobicContact CE2-CB 4.09Å; Y42-R197 HydrophobicContact CE2-CG 4.35Å; Y42-R197 VanDerWaalsContact CE2-O 3.32Å; Y42-R197 WeakPolarHBondContact CE2-O 3.43Å; Y42-R197 VanDerWaalsContact CG-NH2 3.31Å
43Q98.1Very high97.2Very high125 Ų12544.3 Ų44.358%0.58425%0.249SC*.EExtended strand (participates in β ladder)trans-75.7126.8174.1-70.8-175.9-12.800110.1L45 L52Q43-L45 HydrophobicContact CB-CD2 4.25Å; Q43-L52 HydrophobicContact CB-CD1 3.63Å; Q43-L52 HydrophobicContact CG-CD1 3.76Å
44N97.8Very high97.1Very high5 Ų540.7 Ų40.73%0.02724%0.235CC..EExtended strand (participates in β ladder)trans-99.6114.8170.6-172.330.8000108.7L53 C54 V56 D111 L198N44-L53 WeakPolarHBondContact O-CB 3.38Å; N44-L53 PolarHBondContact O-N 2.95Å; N44-C54 WeakPolarHBondContact CB-O 3.39Å; N44-C54 PolarHBondContact N-O 3.37Å; N44-C54 PolarHBondContact O-N 3.27Å; N44-V56 HydrophobicContact CB-CG2 4.1Å; N44-D111 PolarHBondContact ND2-OD1 2.81Å; N44-D111 PolarHBondContact OD1-OD1 2.9Å; N44-L198 PolarHBondContact OD1-O 2.63Å
45L96.9Very high97.1Very high67 Ų6741.3 Ų41.335%0.35124%0.235SC..EExtended strand (participates in β ladder)trans-103142.7-175.3-54-176.9000109.7Q43 Q51 L52Q43-L45 HydrophobicContact CB-CD2 4.25Å; L45-Q51 CarbonylContact C-O 3.52Å; L45-Q51 VanDerWaalsContact CA-O 3.28Å; L45-Q51 WeakPolarHBondContact CA-O 3.31Å; L45-L52 HydrophobicContact CD2-CB 4.15Å; L45-L52 HydrophobicContact CD2-CD1 3.98Å
46T97.5Very high97.1Very high0 Ų039 Ų390%022%0.216CC..  trans-78.2131.6171.1174.70000110.8P12 V48 T49 G50 Q51 L53 W110P12-T46 HydrophobicContact CG-CG2 4.17Å; T46-V48 PolarHBondContact O-N 3.37Å; T46-V48 WeakPolarHBondContact OG1-CB 3.42Å; T46-V48 WeakPolarHBondContact OG1-CG2 3.48Å; T46-V48 PolarHBondContact OG1-N 3.31Å; T46-V48 VanDerWaalsContact OG1-N 3.12Å; T46-T49 VanDerWaalsContact CG2-OG1 3.3Å; T46-T49 WeakPolarHBondContact CG2-OG1 3.49Å; T46-G50 WeakPolarHBondContact O-CA 3.21Å; T46-G50 PolarHBondContact O-N 2.88Å; T46-Q51 HydrophobicContact CG2-CB 4.39Å; T46-Q51 WeakPolarHBondContact CG2-O 3.34Å; T46-Q51 PolarHBondContact N-O 3Å; T46-L53 HydrophobicContact CG2-CD2 4.31Å; T46-L53 HydrophobicContact CG2-CG 4.23Å; T46-W110 WeakPolarHBondContact CB-O 3.49Å; T46-W110 HydrophobicContact CG2-CE3 4.22Å; T46-W110 HydrophobicContact CG2-CZ3 4.39Å; T46-W110 PolarHBondContact OG1-O 2.88Å
47P98Very high97.1Very high0 Ų038.7 Ų38.70%021%0.214CC..THydrogen-bonded Turntrans-67.5-15.9171.325.3-33.5000114.1D111 N112 A348 Q349 G388 Y389P47-D111 VanDerWaalsContact CD-O 3.25Å; P47-D111 WeakPolarHBondContact CD-O 3.49Å; P47-N112 VanDerWaalsContact CG-C 3.45Å; P47-N112 WeakPolarHBondContact CG-O 3.34Å; P47-A348 HydrophobicContact CB-CB 4.11Å; P47-A348 WeakPolarHBondContact O-CB 3.37Å; P47-Q349 WeakPolarHBondContact CB-O 3.06Å; P47-G388 VanDerWaalsContact O-CA 3.25Å; P47-G388 WeakPolarHBondContact O-CA 3.46Å; P47-Y389 HydrophobicContact CB-CD2 3.58Å; P47-Y389 HydrophobicContact CB-CE2 4.05Å; P47-Y389 HydrophobicContact CB-CG 4.5Å; P47-Y389 PolarHBondContact O-N 3.04Å; P47-Y389 VanDerWaalsContact O-N 3.09Å
48V97.3Very high97.1Very high0 Ų038.1 Ų38.10%021%0.207CC..THydrogen-bonded Turntrans-66.4-43.1-177.9-177.40000111.3T46 W110 P339 L385 G388 Y390T46-V48 PolarHBondContact O-N 3.37Å; T46-V48 WeakPolarHBondContact OG1-CB 3.42Å; T46-V48 WeakPolarHBondContact OG1-CG2 3.48Å; T46-V48 PolarHBondContact OG1-N 3.31Å; T46-V48 VanDerWaalsContact OG1-N 3.12Å; V48-W110 HydrophobicContact CB-CE3 4.11Å; V48-W110 HydrophobicContact CB-CZ3 3.97Å; V48-W110 HydrophobicContact CG1-CE3 4.48Å; V48-W110 HydrophobicContact CG1-CZ3 3.97Å; V48-W110 HydrophobicContact CG2-CE3 4.06Å; V48-W110 HydrophobicContact CG2-CZ3 4.38Å; V48-P339 HydrophobicContact CG1-CG 4.41Å; V48-P339 HydrophobicContact CG2-CG 4.02Å; V48-L385 HydrophobicContact CG1-CD2 3.89Å; V48-G388 WeakPolarHBondContact O-CA 3.45Å; V48-Y390 PolarHBondContact O-OH 3.11Å; V48-Y390 VanDerWaalsContact O-OH 3.05Å
49T95.7Very high97.2Very high3 Ų334.3 Ų34.32%0.01819%0.188CC..THydrogen-bonded Turntrans-129.3-5.8-176.262.30000113.7I10 T46 Q51 W110 E384 L385 D387I10-T49 HydrophobicContact CG2-CG2 4.18Å; T46-T49 VanDerWaalsContact CG2-OG1 3.3Å; T46-T49 WeakPolarHBondContact CG2-OG1 3.49Å; T49-Q51 PolarHBondContact O-N 3.17Å; T49-Q51 WeakPolarHBondContact OG1-CB 3.43Å; T49-Q51 WeakPolarHBondContact OG1-CG 3.41Å; T49-Q51 PolarHBondContact OG1-N 3.24Å; T49-W110 HydrophobicContact CG2-CZ3 4.49Å; T49-E384 WeakPolarHBondContact CG2-O 3.23Å; T49-L385 HydrophobicContact CG2-CD2 4.18Å; T49-D387 WeakPolarHBondContact O-CB 3.22Å
50G94.4Very high97.2Very high23 Ų2332.5 Ų32.524%0.23717%0.168CC..SBendtrans73.93.9-173.100000114.4T46T46-G50 WeakPolarHBondContact O-CA 3.21Å; T46-G50 PolarHBondContact O-N 2.88Å
51Q93.4Very high97.2Very high76 Ų7632.5 Ų32.536%0.35517%0.167SC..  trans-84.5161-177.2-64.7177.72.100112.5L45 T46 T49 L53L45-Q51 CarbonylContact C-O 3.52Å; L45-Q51 VanDerWaalsContact CA-O 3.28Å; L45-Q51 WeakPolarHBondContact CA-O 3.31Å; T46-Q51 HydrophobicContact CG2-CB 4.39Å; T46-Q51 WeakPolarHBondContact CG2-O 3.34Å; T46-Q51 PolarHBondContact N-O 3Å; T49-Q51 PolarHBondContact O-N 3.17Å; T49-Q51 WeakPolarHBondContact OG1-CB 3.43Å; T49-Q51 WeakPolarHBondContact OG1-CG 3.41Å; T49-Q51 PolarHBondContact OG1-N 3.24Å; Q51-L53 PolarHBondContact O-N 3.18Å
52L94.5Very high97.2Very high82 Ų8238.1 Ų38.143%0.42919%0.188SC..EExtended strand (participates in β ladder)trans-65.4126.8174.1-177.167.6000111.1Q43 L45 C54Q43-L52 HydrophobicContact CB-CD1 3.63Å; Q43-L52 HydrophobicContact CG-CD1 3.76Å; L45-L52 HydrophobicContact CD2-CB 4.15Å; L45-L52 HydrophobicContact CD2-CD1 3.98Å; L52-C54 WeakPolarHBondContact CD1-O 3.37Å
53L94.7Very high97.3Very high13 Ų1337.4 Ų37.47%0.06819%0.185CC..EExtended strand (participates in β ladder)trans-83.6-56.5166.7-74.7168.2000110.7P12 L21 N44 T46 Q51 W110 D111P12-L53 HydrophobicContact CB-CD2 3.57Å; P12-L53 HydrophobicContact CG-CD2 3.4Å; P12-L53 VanDerWaalsContact CG-CD2 3.4Å; P12-L53 HydrophobicContact CG-CG 4.44Å; L21-L53 HydrophobicContact CD1-CD2 4.22Å; N44-L53 WeakPolarHBondContact O-CB 3.38Å; N44-L53 PolarHBondContact O-N 2.95Å; T46-L53 HydrophobicContact CG2-CD2 4.31Å; T46-L53 HydrophobicContact CG2-CG 4.23Å; Q51-L53 PolarHBondContact O-N 3.18Å; L53-W110 HydrophobicContact CD2-CB 3.98Å; L53-W110 HydrophobicContact CD2-CG 4.45Å; L53-D111 HydrophobicContact CD1-CB 4.31Å; L53-D111 WeakPolarHBondContact CD1-OD1 3.41Å
54C96.7Very high97.3Very high2 Ų231.4 Ų31.41%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-165.5171.7-178.158.50000110.6K22 Y25 N44 L52K22-C54 WeakPolarHBondContact O-CB 3.27Å; Y25-C54 HydrophobicContact CD2-CB 3.95Å; Y25-C54 HydrophobicContact CE2-CB 3.92Å; N44-C54 WeakPolarHBondContact CB-O 3.39Å; N44-C54 PolarHBondContact N-O 3.37Å; N44-C54 PolarHBondContact O-N 3.27Å; L52-C54 WeakPolarHBondContact CD1-O 3.37Å
55E98.6Very high97.3Very high56 Ų5633.5 Ų33.526%0.26217%0.168SC..EExtended strand (participates in β ladder)trans-91.6145.8162.8-64.7-174.8147.100110.7A23 R24 Y25 Y41 Y42A23-E55 PolarHBondContact O-N 2.89Å; R24-E55 CarbonylContact C-O 3.6Å; R24-E55 VanDerWaalsContact CA-O 3.26Å; R24-E55 WeakPolarHBondContact CA-O 3.18Å; R24-E55 HydrophobicContact CB-CB 4.32Å; R24-E55 HydrophobicContact CG-CB 4.44Å; R24-E55 IonicContact CZ-OE2 2.76Å; R24-E55 IonicContact NE-OE2 3.7Å; R24-E55 PolarHBondContact NE-OE2 3.42Å; R24-E55 VanDerWaalsContact NE-OE2 3.15Å; R24-E55 IonicContact NH2-OE2 2.94Å; R24-E55 PolarHBondContact NH2-OE2 2.7Å; Y25-E55 PolarHBondContact N-O 3.05Å; Y41-E55 HydrophobicContact CD1-CB 4.4Å; Y42-E55 CarbonylContact O-C 3.55Å; Y42-E55 WeakPolarHBondContact O-CA 3.22Å
56V98.8Very high97.4Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-130.7141.6178.1-178.80000109.7Y25 Y41 Y42 N44 S58 P200 L204 N223Y25-V56 WeakPolarHBondContact O-CA 3.32Å; Y41-V56 WeakPolarHBondContact CA-O 3.38Å; Y41-V56 VanDerWaalsContact CD1-C 3.46Å; Y42-V56 VanDerWaalsContact CD1-O 3.25Å; Y42-V56 WeakPolarHBondContact CD1-O 3.21Å; Y42-V56 HydrophobicContact CE1-CB 3.89Å; Y42-V56 HydrophobicContact CE1-CG1 3.94Å; Y42-V56 HydrophobicContact CE2-CB 4.06Å; Y42-V56 PolarHBondContact N-O 2.81Å; Y42-V56 PolarHBondContact O-N 3.27Å; Y42-V56 WeakPolarHBondContact OH-CG1 3.3Å; N44-V56 HydrophobicContact CB-CG2 4.1Å; V56-S58 PolarHBondContact O-N 3.44Å; V56-P200 HydrophobicContact CB-CG 4.45Å; V56-P200 HydrophobicContact CG1-CB 4.32Å; V56-P200 HydrophobicContact CG1-CG 4.25Å; V56-P200 HydrophobicContact CG2-CG 3.82Å; V56-L204 HydrophobicContact CG1-CD1 4.1Å; V56-L204 HydrophobicContact CG2-CD1 4.27Å; V56-N223 HydrophobicContact CG1-CB 3.62Å
57A98.8Very high97.5Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-48.6127.7179.600000112.2Y25 P36 Y41 Y42 N223Y25-A57 PolarHBondContact O-N 3.09Å; P36-A57 HydrophobicContact CB-CB 4.1Å; P36-A57 HydrophobicContact CG-CB 3.84Å; Y41-A57 HydrophobicContact CD1-CB 4.46Å; Y41-A57 HydrophobicContact CE1-CB 4.13Å; Y42-A57 VanDerWaalsContact CE1-O 3.28Å; Y42-A57 WeakPolarHBondContact CE1-O 3.44Å; A57-N223 CarbonylContact O-C 3.32Å; A57-N223 VanDerWaalsContact O-C 3.3Å; A57-N223 WeakPolarHBondContact O-CB 3.35Å; A57-N223 VanDerWaalsContact O-O 3.04Å
58S98.6Very high97.6Very high37 Ų3734 Ų3426%0.25917%0.17SC..  trans-102.878.1175.3-172.70000109.6E40 V56E40-S58 WeakPolarHBondContact O-CA 3.39Å; E40-S58 WeakPolarHBondContact O-CB 3.23Å; E40-S58 PolarHBondContact O-N 3.1Å; V56-S58 PolarHBondContact O-N 3.44Å
59S98.8Very high97.6Very high7 Ų737 Ų375%0.04919%0.187CC..  trans-75.3156-169.2-51.30000114.2N27 D63 N223 I229N27-S59 PolarHBondContact ND2-OG 3.32Å; N27-S59 PolarHBondContact OD1-OG 3.48Å; N27-S59 VanDerWaalsContact OD1-OG 3.12Å; S59-D63 WeakPolarHBondContact CA-OD2 3.39Å; S59-D63 WeakPolarHBondContact CB-OD2 3.35Å; S59-N223 WeakPolarHBondContact CA-O 3.39Å; S59-N223 WeakPolarHBondContact CB-O 3.03Å; S59-N223 PolarHBondContact N-O 2.68Å; S59-N223 PolarHBondContact OG-O 3.48Å; S59-I229 WeakPolarHBondContact O-CG2 3.44Å
60G98Very high97.8Very high10 Ų1037.4 Ų37.410%0.10319%0.19CC..  trans-109.6-164.6171.800000112.7R62 D63 I229G60-R62 VanDerWaalsContact C-N 3.3Å; G60-R62 PolarHBondContact O-N 2.87Å; G60-D63 PolarHBondContact N-OD2 3.41Å; G60-D63 PolarHBondContact O-N 2.95Å; G60-I229 WeakPolarHBondContact O-CG2 3.21Å
61K98.4Very high98Very high120 Ų12036.3 Ų36.352%0.52218%0.179SC..Hα-helixtrans-63.5-34.9-180-63.2-176.5177.6-179.20112.6D63 I64 D65 Y232K61-D63 VanDerWaalsContact C-N 3.32Å; K61-D63 PolarHBondContact O-N 2.86Å; K61-I64 WeakPolarHBondContact O-CB 3.27Å; K61-I64 PolarHBondContact O-N 3.39Å; K61-D65 PolarHBondContact O-N 2.77Å; K61-Y232 HydrophobicContact CB-CD1 3.71Å; K61-Y232 HydrophobicContact CB-CD2 4.33Å; K61-Y232 HydrophobicContact CB-CE1 3.69Å; K61-Y232 HydrophobicContact CB-CE2 4.31Å; K61-Y232 HydrophobicContact CB-CG 4.04Å; K61-Y232 HydrophobicContact CD-CD1 4.49Å; K61-Y232 HydrophobicContact CD-CD2 3.64Å; K61-Y232 HydrophobicContact CD-CE2 3.87Å; K61-Y232 HydrophobicContact CD-CG 3.97Å; K61-Y232 HydrophobicContact CG-CD1 3.84Å; K61-Y232 HydrophobicContact CG-CD2 3.86Å; K61-Y232 HydrophobicContact CG-CE1 4.23Å; K61-Y232 HydrophobicContact CG-CE2 4.24Å; K61-Y232 HydrophobicContact CG-CG 3.64Å; K61-Y232 WeakPolarHBondContact O-CE1 3.42Å
62R98.6Very high98.3Very high159 Ų15935.6 Ų35.660%0.618%0.175SC*.Hα-helixtrans-59.7-40179.6-72.9176.1171.3164.8-5.8112.5A37 D38 G60 I64 D65 L66A37-R62 HydrophobicContact CB-CB 3.81Å; D38-R62 IonicContact OD1-NH1 3.93Å; D38-R62 PolarHBondContact OD1-NH1 3.35Å; G60-R62 VanDerWaalsContact C-N 3.3Å; G60-R62 PolarHBondContact O-N 2.87Å; R62-I64 VanDerWaalsContact C-N 3.34Å; R62-D65 WeakPolarHBondContact O-CB 3.43Å; R62-D65 PolarHBondContact O-N 2.8Å; R62-L66 WeakPolarHBondContact O-CG 3.37Å; R62-L66 PolarHBondContact O-N 2.75Å
63D98.9Very high98.5Very high0 Ų039.8 Ų39.80%019%0.19CC..Hα-helixtrans-68.5-35.3179.1-55.2-76.7000112.1P36 A37 S59 G60 K61 L66 A67 V222P36-D63 WeakPolarHBondContact CA-OD1 3.39Å; A37-D63 PolarHBondContact N-OD1 2.97Å; S59-D63 WeakPolarHBondContact CA-OD2 3.39Å; S59-D63 WeakPolarHBondContact CB-OD2 3.35Å; G60-D63 PolarHBondContact N-OD2 3.41Å; G60-D63 PolarHBondContact O-N 2.95Å; K61-D63 VanDerWaalsContact C-N 3.32Å; K61-D63 PolarHBondContact O-N 2.86Å; D63-L66 PolarHBondContact O-N 3.13Å; D63-A67 WeakPolarHBondContact O-CB 3.28Å; D63-A67 PolarHBondContact O-N 3.27Å; D63-V222 HydrophobicContact CB-CG1 3.92Å
64I98.9Very high98.7Very high0 Ų040.5 Ų40.50%020%0.195CC..Hα-helixtrans-64.3-42.5171.6-65.9-66.9000110.4K61 R62 L66 A67 L68 V192 V222 I229 Y232 L233K61-I64 WeakPolarHBondContact O-CB 3.27Å; K61-I64 PolarHBondContact O-N 3.39Å; R62-I64 VanDerWaalsContact C-N 3.34Å; I64-L66 VanDerWaalsContact C-N 3.34Å; I64-L66 PolarHBondContact O-N 2.66Å; I64-A67 PolarHBondContact O-N 2.85Å; I64-L68 HydrophobicContact CG2-CD1 3.73Å; I64-L68 HydrophobicContact CG2-CG 4.24Å; I64-L68 WeakPolarHBondContact O-CB 3.44Å; I64-L68 WeakPolarHBondContact O-CG 3.2Å; I64-L68 PolarHBondContact O-N 3.03Å; I64-V192 HydrophobicContact CD1-CG1 4.34Å; I64-V222 HydrophobicContact CD1-CB 3.87Å; I64-V222 HydrophobicContact CD1-CG1 3.81Å; I64-V222 HydrophobicContact CD1-CG2 4.12Å; I64-V222 HydrophobicContact CG1-CG1 4.33Å; I64-I229 HydrophobicContact CD1-CB 4.07Å; I64-I229 HydrophobicContact CG1-CB 3.85Å; I64-I229 HydrophobicContact CG1-CG2 4.13Å; I64-Y232 HydrophobicContact CB-CD1 3.77Å; I64-Y232 HydrophobicContact CB-CE1 4.11Å; I64-Y232 HydrophobicContact CG1-CD1 4.29Å; I64-Y232 HydrophobicContact CG2-CD1 3.66Å; I64-Y232 HydrophobicContact CG2-CE1 3.96Å; I64-L233 HydrophobicContact CD1-CB 4.41Å; I64-L233 HydrophobicContact CG2-CB 4.39Å; I64-L233 HydrophobicContact CG2-CD1 4.21Å
65D98.9Very high98.8Very high48 Ų4843 Ų4326%0.25721%0.206SC..Hα-helixtrans-61.7-41.1175.2-76.5-36.6000112.3K61 R62 L68 D69 Y232 R238K61-D65 PolarHBondContact O-N 2.77Å; R62-D65 WeakPolarHBondContact O-CB 3.43Å; R62-D65 PolarHBondContact O-N 2.8Å; D65-L68 PolarHBondContact O-N 2.73Å; D65-D69 WeakPolarHBondContact O-CB 3.42Å; D65-D69 PolarHBondContact O-N 3.13Å; D65-Y232 PolarHBondContact OD1-OH 3.48Å; D65-Y232 PolarHBondContact OD2-OH 2.62Å; D65-Y232 VanDerWaalsContact OD2-OH 3.13Å; D65-R238 IonicContact OD1-NH1 3.31Å
66L98.9Very high98.8Very high77 Ų7744.6 Ų44.640%0.40322%0.216SC..Hα-helixtrans-62-43.1174.5-69.6173000112I29 R62 D63 I64 D69 A70I29-L66 HydrophobicContact CD1-CB 4.32Å; I29-L66 HydrophobicContact CG2-CB 4.3Å; R62-L66 WeakPolarHBondContact O-CG 3.37Å; R62-L66 PolarHBondContact O-N 2.75Å; D63-L66 PolarHBondContact O-N 3.13Å; I64-L66 VanDerWaalsContact C-N 3.34Å; I64-L66 PolarHBondContact O-N 2.66Å; L66-D69 PolarHBondContact O-N 3.15Å; L66-A70 WeakPolarHBondContact O-CB 3.41Å; L66-A70 PolarHBondContact O-N 3.44Å
67A98.9Very high98.8Very high0 Ų052.1 Ų52.10%025%0.248CC..Hα-helixtrans-64.2-41.2175.300000112.3I29 D63 I64 A70 A71 V192 N220 V222I29-A67 HydrophobicContact CD1-CB 4.34Å; I29-A67 HydrophobicContact CG1-CB 4.22Å; I29-A67 HydrophobicContact CG2-CB 4.49Å; D63-A67 WeakPolarHBondContact O-CB 3.28Å; D63-A67 PolarHBondContact O-N 3.27Å; I64-A67 PolarHBondContact O-N 2.85Å; A67-A70 PolarHBondContact O-N 2.95Å; A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.41Å; A67-V192 HydrophobicContact CB-CG1 3.98Å; A67-V192 HydrophobicContact CB-CG2 4.16Å; A67-N220 HydrophobicContact CB-CB 3.82Å; A67-V222 HydrophobicContact CB-CG2 3.61Å
68L98.9Very high98.8Very high0 Ų052.2 Ų52.20%025%0.249CC..Hα-helixtrans-66.3-41.2175.5-70167.4000111.4I64 D65 A70 A71 H72 V163 V192 L233 S236 R238 I239I64-L68 HydrophobicContact CG2-CD1 3.73Å; I64-L68 HydrophobicContact CG2-CG 4.24Å; I64-L68 WeakPolarHBondContact O-CB 3.44Å; I64-L68 WeakPolarHBondContact O-CG 3.2Å; I64-L68 PolarHBondContact O-N 3.03Å; D65-L68 PolarHBondContact O-N 2.73Å; L68-A70 VanDerWaalsContact C-N 3.35Å; L68-A71 PolarHBondContact O-N 3.19Å; L68-H72 WeakPolarHBondContact O-CB 3.12Å; L68-H72 PolarHBondContact O-CD2 2.8Å; L68-H72 PolarHBondContact O-N 2.84Å; L68-V163 HydrophobicContact CD2-CG1 4.09Å; L68-V192 HydrophobicContact CD2-CG2 4Å; L68-V192 HydrophobicContact CG-CG2 4.47Å; L68-L233 HydrophobicContact CD2-CD1 4.34Å; L68-S236 WeakPolarHBondContact CD1-OG 3.46Å; L68-R238 HydrophobicContact CD1-CB 4.17Å; L68-R238 HydrophobicContact CD2-CB 4.27Å; L68-I239 HydrophobicContact CD2-CG2 3.65Å
69D98.9Very high98.7Very high65 Ų6551.7 Ų51.735%0.34825%0.247SC..Hα-helixtrans-59.7-46.1174.4-74.5-7.1000111.2D65 L66 K73 R238D65-D69 WeakPolarHBondContact O-CB 3.42Å; D65-D69 PolarHBondContact O-N 3.13Å; L66-D69 PolarHBondContact O-N 3.15Å; D69-K73 WeakPolarHBondContact O-CD 3.42Å; D69-K73 WeakPolarHBondContact O-CG 3.41Å; D69-K73 PolarHBondContact O-N 3.13Å; D69-K73 VanDerWaalsContact O-N 3.1Å; D69-R238 IonicContact OD1-CZ 2.66Å; D69-R238 IonicContact OD1-NH1 3.27Å; D69-R238 PolarHBondContact OD1-NH1 2.91Å; D69-R238 IonicContact OD1-NH2 2.72Å; D69-R238 PolarHBondContact OD1-NH2 3.21Å
70A98.9Very high98.7Very high11 Ų1159.2 Ų59.29%0.09128%0.281CS..Hα-helixtrans-60.8-46.7176.400000111.8I29 L66 A67 L68 K73 N220I29-A70 HydrophobicContact CG2-CB 4.11Å; L66-A70 WeakPolarHBondContact O-CB 3.41Å; L66-A70 PolarHBondContact O-N 3.44Å; A67-A70 PolarHBondContact O-N 2.95Å; L68-A70 VanDerWaalsContact C-N 3.35Å; A70-K73 PolarHBondContact O-N 2.79Å; A70-N220 WeakPolarHBondContact CB-OD1 3.34Å
71A99Very high98.8Very high0 Ų060.1 Ų60.10%028%0.284CS..Hα-helixtrans-63.4-46178.400000112.7A67 L68 K73 V74 K75 V163 C190 V192 G217A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.41Å; L68-A71 PolarHBondContact O-N 3.19Å; A71-K73 VanDerWaalsContact C-N 3.3Å; A71-K73 PolarHBondContact O-N 3.06Å; A71-V74 PolarHBondContact O-N 2.75Å; A71-K75 PolarHBondContact O-N 3.47Å; A71-V163 HydrophobicContact CB-CB 4.44Å; A71-V163 HydrophobicContact CB-CG1 3.68Å; A71-V163 HydrophobicContact CB-CG2 3.84Å; A71-C190 HydrophobicContact CB-CB 3.95Å; A71-V192 HydrophobicContact CB-CG2 4.45Å; A71-G217 WeakPolarHBondContact CA-O 3.32Å
72H98.9Very high98.7Very high60 Ų6056.4 Ų56.428%0.27827%0.273SS..Hα-helixtrans-65.6-31.6-179.8-86.7-78.5000113.1L68 V74 R238L68-H72 WeakPolarHBondContact O-CB 3.12Å; L68-H72 PolarHBondContact O-CD2 2.8Å; L68-H72 PolarHBondContact O-N 2.84Å; H72-V74 PolarHBondContact O-N 3.01Å; H72-R238 PolarHBondContact CE1-O 2.9Å; H72-R238 PolarHBondContact NE2-O 3.22Å
73K98.8Very high98.7Very high171 Ų17151.2 Ų51.274%0.74326%0.259SS*.Hα-helixtrans-62.1-26.2175.6-76.7166.7-172.4174.60113.2D69 A70 A71D69-K73 WeakPolarHBondContact O-CD 3.42Å; D69-K73 WeakPolarHBondContact O-CG 3.41Å; D69-K73 PolarHBondContact O-N 3.13Å; D69-K73 VanDerWaalsContact O-N 3.1Å; A70-K73 PolarHBondContact O-N 2.79Å; A71-K73 VanDerWaalsContact C-N 3.3Å; A71-K73 PolarHBondContact O-N 3.06Å
74V98.8Very high98.7Very high27 Ų2755.7 Ų55.716%0.16428%0.28CS..Hα-helixtrans-119.5-6.8-174-59.30000114.9A71 H72 D76 K77 W78 P216 V218A71-V74 PolarHBondContact O-N 2.75Å; H72-V74 PolarHBondContact O-N 3.01Å; V74-D76 VanDerWaalsContact C-N 3.31Å; V74-D76 PolarHBondContact O-N 3.47Å; V74-K77 PolarHBondContact O-N 3.28Å; V74-W78 PolarHBondContact O-N 2.99Å; V74-P216 WeakPolarHBondContact CG1-O 3.43Å; V74-P216 WeakPolarHBondContact CG2-O 3.48Å; V74-V218 HydrophobicContact CG2-CG2 4.03Å
75K98.7Very high98.7Very high56 Ų5660 Ų6024%0.24330%0.303CS..Hα-helixtrans-53.2-43.6-175.575.8-179.7179.768.80113.7A71 W78 A79 V163 C190A71-K75 PolarHBondContact O-N 3.47Å; K75-W78 PolarHBondContact O-N 3.38Å; K75-A79 VanDerWaalsContact O-CB 3.27Å; K75-A79 WeakPolarHBondContact O-CB 3.22Å; K75-A79 PolarHBondContact O-N 3.06Å; K75-V163 HydrophobicContact CB-CG2 4.05Å; K75-V163 HydrophobicContact CD-CG2 4.04Å; K75-C190 VanDerWaalsContact CA-SG 3.59Å
76D98.7Very high98.7Very high89 Ų8958.3 Ų58.348%0.47629%0.293SS..Hα-helixtrans-73.4-40.2-175.8-60.2-38.8000110.4V74 W78 A79 H80V74-D76 VanDerWaalsContact C-N 3.31Å; V74-D76 PolarHBondContact O-N 3.47Å; D76-W78 VanDerWaalsContact C-N 3.33Å; D76-W78 PolarHBondContact O-N 3.41Å; D76-A79 PolarHBondContact O-N 2.93Å; D76-H80 WeakPolarHBondContact O-CB 3.42Å; D76-H80 PolarHBondContact O-CD2 3.23Å; D76-H80 PolarHBondContact O-N 2.9Å
77K98.7Very high98.7Very high157 Ų15754.7 Ų54.768%0.68328%0.275SS*.Hα-helixtrans-61.7-41.7173.9-177.1178.3177.6-178.60111.5V74 H80 T81V74-K77 PolarHBondContact O-N 3.28Å; K77-H80 PolarHBondContact O-N 2.91Å; K77-T81 PolarHBondContact O-N 3.18Å; K77-T81 VanDerWaalsContact O-N 3.09Å; K77-T81 PolarHBondContact O-OG1 3.04Å
78W98.8Very high98.7Very high3 Ų356.8 Ų56.81%0.01129%0.292CS..Hα-helixtrans-69.4-42.1177.8-174.9-121.7000112.2V74 K75 D76 H80 T81 R86 I89 L185 G188 N189 P215 V218V74-W78 PolarHBondContact O-N 2.99Å; K75-W78 PolarHBondContact O-N 3.38Å; D76-W78 VanDerWaalsContact C-N 3.33Å; D76-W78 PolarHBondContact O-N 3.41Å; W78-H80 VanDerWaalsContact C-N 3.26Å; W78-H80 PolarHBondContact O-N 3.06Å; W78-T81 HydrophobicContact CE3-CG2 4.2Å; W78-T81 HydrophobicContact CZ3-CG2 3.96Å; W78-T81 VanDerWaalsContact O-CB 3.25Å; W78-T81 WeakPolarHBondContact O-CB 3.26Å; W78-T81 PolarHBondContact O-N 2.81Å; W78-T81 PolarHBondContact O-OG1 2.8Å; W78-R86 HydrophobicContact CH2-CB 4.18Å; W78-R86 HydrophobicContact CH2-CG 3.73Å; W78-R86 HydrophobicContact CZ2-CB 4.3Å; W78-R86 HydrophobicContact CZ2-CG 3.85Å; W78-R86 HydrophobicContact CZ3-CG 4.09Å; W78-I89 HydrophobicContact CH2-CD1 3.73Å; W78-I89 HydrophobicContact CZ3-CD1 3.69Å; W78-L185 HydrophobicContact CZ2-CB 4.48Å; W78-L185 HydrophobicContact CZ2-CD2 4.41Å; W78-G188 VanDerWaalsContact CD1-C 3.44Å; W78-N189 VanDerWaalsContact CD1-O 3.31Å; W78-N189 PolarHBondContact NE1-O 3.41Å; W78-P215 HydrophobicContact CE3-CG 3.97Å; W78-P215 HydrophobicContact CZ3-CG 4.09Å; W78-V218 HydrophobicContact CB-CG2 3.94Å; W78-V218 HydrophobicContact CD2-CG1 3.95Å; W78-V218 HydrophobicContact CD2-CG2 3.87Å; W78-V218 HydrophobicContact CE3-CG2 4.15Å; W78-V218 HydrophobicContact CG-CG1 4.11Å; W78-V218 HydrophobicContact CG-CG2 3.77Å; W78-V218 HydrophobicContact CZ2-CG1 4.17Å
79A98.5Very high98.7Very high26 Ų2658 Ų5822%0.21530%0.298CS..Hα-helixtrans-57.3-39173.800000112.5K75 D76 R86 P160K75-A79 VanDerWaalsContact O-CB 3.27Å; K75-A79 WeakPolarHBondContact O-CB 3.22Å; K75-A79 PolarHBondContact O-N 3.06Å; D76-A79 PolarHBondContact O-N 2.93Å; A79-R86 PolarHBondContact O-NH1 3.37Å; A79-P160 HydrophobicContact CB-CG 3.49Å; A79-P160 VanDerWaalsContact CB-CG 3.49Å
80H98.1Very high98.7Very high164 Ų16455 Ų5576%0.75928%0.282SS*.THydrogen-bonded Turntrans-83.1-6.9177.1-69.7-56.6000114.7D76 K77 W78 S82D76-H80 WeakPolarHBondContact O-CB 3.42Å; D76-H80 PolarHBondContact O-CD2 3.23Å; D76-H80 PolarHBondContact O-N 2.9Å; K77-H80 PolarHBondContact O-N 2.91Å; W78-H80 VanDerWaalsContact C-N 3.26Å; W78-H80 PolarHBondContact O-N 3.06Å; H80-S82 PolarHBondContact O-N 2.88Å
81T98.7Very high98.7Very high29 Ų2957.8 Ų57.818%0.17829%0.292CS..SBendtrans-64.7131.5172.3-610000108.6K77 W78 D85 R86K77-T81 PolarHBondContact O-N 3.18Å; K77-T81 VanDerWaalsContact O-N 3.09Å; K77-T81 PolarHBondContact O-OG1 3.04Å; W78-T81 HydrophobicContact CE3-CG2 4.2Å; W78-T81 HydrophobicContact CZ3-CG2 3.96Å; W78-T81 VanDerWaalsContact O-CB 3.25Å; W78-T81 WeakPolarHBondContact O-CB 3.26Å; W78-T81 PolarHBondContact O-N 2.81Å; W78-T81 PolarHBondContact O-OG1 2.8Å; T81-D85 HydrophobicContact CG2-CB 3.66Å; T81-R86 HydrophobicContact CG2-CG 3.78Å; T81-R86 PolarHBondContact O-NH1 3.25Å
82S98.3Very high98.7Very high42 Ų4263.2 Ų63.229%0.29432%0.316SS..  trans-60.2153-172.677.80000112.2H80 Q84 D85 R86H80-S82 PolarHBondContact O-N 2.88Å; S82-Q84 PolarHBondContact O-N 3.08Å; S82-D85 PolarHBondContact O-N 3.13Å; S82-D85 VanDerWaalsContact O-N 3.1Å; S82-D85 WeakPolarHBondContact OG-CB 3.41Å; S82-D85 PolarHBondContact OG-N 3.18Å; S82-D85 VanDerWaalsContact OG-N 3.1Å; S82-D85 PolarHBondContact OG-OD2 2.93Å; S82-R86 WeakPolarHBondContact O-CG 3.1Å; S82-R86 PolarHBondContact O-N 3.36Å
83V98.3Very high98.7Very high50 Ų5060.5 Ų60.530%0.30330%0.303SS..Hα-helixtrans-59.8-30.4176.6-63.60000112A87 I138V83-A87 WeakPolarHBondContact O-CB 3.5Å; V83-A87 PolarHBondContact O-N 3.07Å; V83-I138 HydrophobicContact CB-CG1 4.12Å; V83-I138 HydrophobicContact CG1-CD1 4.43Å; V83-I138 HydrophobicContact CG1-CG1 3.98Å
84Q98.8Very high98.7Very high95 Ų9552.3 Ų52.344%0.44427%0.268SS..Hα-helixtrans-61.1-52.3173-69.272.3-4.100110.6S82 A87 A88 R139S82-Q84 PolarHBondContact O-N 3.08Å; Q84-A87 PolarHBondContact O-N 3.48Å; Q84-A88 WeakPolarHBondContact O-CB 3.49Å; Q84-A88 PolarHBondContact O-N 3.41Å; Q84-R139 VanDerWaalsContact CG-NH1 3.26Å
85D98.9Very high98.7Very high89 Ų8954 Ų5448%0.47628%0.276SS..Hα-helixtrans-69.8-41.1-175.7-62.9-39.3000111.3T81 S82 A88 I89T81-D85 HydrophobicContact CG2-CB 3.66Å; S82-D85 PolarHBondContact O-N 3.13Å; S82-D85 VanDerWaalsContact O-N 3.1Å; S82-D85 WeakPolarHBondContact OG-CB 3.41Å; S82-D85 PolarHBondContact OG-N 3.18Å; S82-D85 VanDerWaalsContact OG-N 3.1Å; S82-D85 PolarHBondContact OG-OD2 2.93Å; D85-A88 PolarHBondContact O-N 2.89Å; D85-I89 WeakPolarHBondContact O-CG1 3.43Å; D85-I89 PolarHBondContact O-N 3.19Å
86R98.8Very high98.8Very high13 Ų1354.6 Ų54.65%0.04928%0.277CS..Hα-helixtrans-61-47.1174.4-62.8-159.8-53-99.17.3111W78 A79 T81 S82 A88 I89 L90 A186W78-R86 HydrophobicContact CH2-CB 4.18Å; W78-R86 HydrophobicContact CH2-CG 3.73Å; W78-R86 HydrophobicContact CZ2-CB 4.3Å; W78-R86 HydrophobicContact CZ2-CG 3.85Å; W78-R86 HydrophobicContact CZ3-CG 4.09Å; A79-R86 PolarHBondContact O-NH1 3.37Å; T81-R86 HydrophobicContact CG2-CG 3.78Å; T81-R86 PolarHBondContact O-NH1 3.25Å; S82-R86 WeakPolarHBondContact O-CG 3.1Å; S82-R86 PolarHBondContact O-N 3.36Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 2.95Å; R86-I89 PolarHBondContact O-N 2.73Å; R86-L90 WeakPolarHBondContact O-CG 3.26Å; R86-L90 PolarHBondContact O-N 3.14Å; R86-A186 VanDerWaalsContact CZ-O 3.3Å; R86-A186 PolarHBondContact NE-O 3.07Å; R86-A186 PolarHBondContact NH2-O 2.84Å
87A98.9Very high98.8Very high2 Ų250.4 Ų50.42%0.01725%0.254CS..Hα-helixtrans-60.4-41.8175.700000112.4V83 Q84 I89 L90 F91 A135 I138 R139V83-A87 WeakPolarHBondContact O-CB 3.5Å; V83-A87 PolarHBondContact O-N 3.07Å; Q84-A87 PolarHBondContact O-N 3.48Å; A87-I89 VanDerWaalsContact C-N 3.3Å; A87-I89 PolarHBondContact O-N 3.48Å; A87-L90 PolarHBondContact O-N 3.12Å; A87-F91 VanDerWaalsContact O-CD2 3.22Å; A87-F91 WeakPolarHBondContact O-CD2 3.5Å; A87-F91 PolarHBondContact O-N 2.63Å; A87-A135 HydrophobicContact CB-CB 4.25Å; A87-A135 VanDerWaalsContact CB-O 3.31Å; A87-A135 WeakPolarHBondContact CB-O 3.08Å; A87-I138 HydrophobicContact CB-CG2 3.94Å; A87-R139 HydrophobicContact CB-CG 3.65Å
88A98.9Very high98.8Very high43 Ų4348 Ų4836%0.35525%0.245SC..Hα-helixtrans-61.7-37.6177.200000112.3Q84 D85 R86 K92Q84-A88 WeakPolarHBondContact O-CB 3.49Å; Q84-A88 PolarHBondContact O-N 3.41Å; D85-A88 PolarHBondContact O-N 2.89Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 2.95Å; A88-K92 WeakPolarHBondContact O-CG 3.34Å; A88-K92 PolarHBondContact O-N 3.2Å; A88-K92 VanDerWaalsContact O-N 3.12Å
89I98.9Very high98.8Very high27 Ų2755 Ų5514%0.13828%0.278CS..Hα-helixtrans-65.6-45173.6-69.4164.9000110.8W78 D85 R86 A87 F91 K92 I93 L214W78-I89 HydrophobicContact CH2-CD1 3.73Å; W78-I89 HydrophobicContact CZ3-CD1 3.69Å; D85-I89 WeakPolarHBondContact O-CG1 3.43Å; D85-I89 PolarHBondContact O-N 3.19Å; R86-I89 PolarHBondContact O-N 2.73Å; A87-I89 VanDerWaalsContact C-N 3.3Å; A87-I89 PolarHBondContact O-N 3.48Å; I89-F91 VanDerWaalsContact C-N 3.33Å; I89-F91 PolarHBondContact O-N 2.98Å; I89-K92 PolarHBondContact O-N 2.85Å; I89-K92 VanDerWaalsContact O-N 3.13Å; I89-I93 HydrophobicContact CG2-CD1 4.03Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 WeakPolarHBondContact O-CG1 3.49Å; I89-I93 PolarHBondContact O-N 3.27Å; I89-L214 HydrophobicContact CG2-CD2 3.92Å
90L99Very high98.7Very high1 Ų156.2 Ų56.21%0.00528%0.281CS..Hα-helixtrans-61.6-39.2178-63.1177.5000112.5R86 A87 I93 A94 F131 A135 L185 A186R86-L90 WeakPolarHBondContact O-CG 3.26Å; R86-L90 PolarHBondContact O-N 3.14Å; A87-L90 PolarHBondContact O-N 3.12Å; L90-I93 HydrophobicContact CD2-CD1 4.34Å; L90-I93 PolarHBondContact O-N 2.96Å; L90-A94 PolarHBondContact O-N 3.24Å; L90-F131 HydrophobicContact CD2-CD1 3.85Å; L90-F131 HydrophobicContact CD2-CE1 4.22Å; L90-A135 HydrophobicContact CB-CB 3.71Å; L90-A135 HydrophobicContact CD1-CB 4.28Å; L90-L185 HydrophobicContact CD2-CB 3.78Å; L90-L185 HydrophobicContact CD2-CD1 4.1Å; L90-A186 HydrophobicContact CD1-CB 3.64Å
91F98.9Very high98.8Very high70 Ų7050.4 Ų50.431%0.30726%0.255SS..Hα-helixtrans-62.5-43.1172.3-75.4-55.4000112.2A87 I89 I93 A94 D95 R132 A135A87-F91 VanDerWaalsContact O-CD2 3.22Å; A87-F91 WeakPolarHBondContact O-CD2 3.5Å; A87-F91 PolarHBondContact O-N 2.63Å; I89-F91 VanDerWaalsContact C-N 3.33Å; I89-F91 PolarHBondContact O-N 2.98Å; F91-I93 VanDerWaalsContact C-N 3.33Å; F91-I93 PolarHBondContact O-N 2.76Å; F91-A94 WeakPolarHBondContact O-CB 3.44Å; F91-A94 PolarHBondContact O-N 2.8Å; F91-D95 PolarHBondContact O-N 3.31Å; F91-R132 HydrophobicContact CD1-CB 4.4Å; F91-R132 HydrophobicContact CD1-CG 4.31Å; F91-R132 HydrophobicContact CE1-CB 4.18Å; F91-A135 HydrophobicContact CD1-CB 3.9Å; F91-A135 HydrophobicContact CD2-CB 3.8Å; F91-A135 HydrophobicContact CE1-CB 3.72Å; F91-A135 HydrophobicContact CE2-CB 3.61Å; F91-A135 HydrophobicContact CG-CB 3.94Å; F91-A135 HydrophobicContact CZ-CB 3.57Å
92K98.9Very high98.6Very high114 Ų11453.1 Ų53.150%0.49627%0.266SS..Hα-helixtrans-64.5-36176.4-71.1174.3-177.2178.60112.8A88 I89 D95 R96 L213A88-K92 WeakPolarHBondContact O-CG 3.34Å; A88-K92 PolarHBondContact O-N 3.2Å; A88-K92 VanDerWaalsContact O-N 3.12Å; I89-K92 PolarHBondContact O-N 2.85Å; I89-K92 VanDerWaalsContact O-N 3.13Å; K92-D95 PolarHBondContact O-N 2.95Å; K92-R96 WeakPolarHBondContact O-CG 3.5Å; K92-R96 PolarHBondContact O-N 3.23Å; K92-L213 HydrophobicContact CB-CD1 3.75Å; K92-L213 HydrophobicContact CB-CD2 4.33Å; K92-L213 HydrophobicContact CD-CD2 4.35Å
93I99Very high98.5Very high2 Ų252.7 Ų52.71%0.0126%0.26CS..Hα-helixtrans-59.2-50.7172.7-71.4170.2000109.3I89 L90 F91 D95 R96 M97 F131 V210 L213 L214I89-I93 HydrophobicContact CG2-CD1 4.03Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 WeakPolarHBondContact O-CG1 3.49Å; I89-I93 PolarHBondContact O-N 3.27Å; L90-I93 HydrophobicContact CD2-CD1 4.34Å; L90-I93 PolarHBondContact O-N 2.96Å; F91-I93 VanDerWaalsContact C-N 3.33Å; F91-I93 PolarHBondContact O-N 2.76Å; I93-D95 VanDerWaalsContact C-N 3.35Å; I93-D95 PolarHBondContact O-N 2.99Å; I93-R96 PolarHBondContact O-N 3.03Å; I93-M97 HydrophobicContact CG2-CG 4.46Å; I93-M97 HydrophobicContact CG2-SD 3.82Å; I93-M97 VanDerWaalsContact O-CG 3.3Å; I93-M97 WeakPolarHBondContact O-CG 3.34Å; I93-M97 PolarHBondContact O-N 3.47Å; I93-F131 HydrophobicContact CB-CD1 4.4Å; I93-F131 HydrophobicContact CD1-CE1 4.35Å; I93-F131 HydrophobicContact CG2-CD1 3.82Å; I93-F131 HydrophobicContact CG2-CD2 3.93Å; I93-F131 HydrophobicContact CG2-CE1 3.84Å; I93-F131 HydrophobicContact CG2-CE2 3.93Å; I93-F131 HydrophobicContact CG2-CG 3.88Å; I93-F131 HydrophobicContact CG2-CZ 3.89Å; I93-V210 HydrophobicContact CB-CG1 4.5Å; I93-V210 HydrophobicContact CG1-CB 4.1Å; I93-V210 HydrophobicContact CG1-CG2 4.27Å; I93-V210 HydrophobicContact CG2-CB 4.45Å; I93-V210 HydrophobicContact CG2-CG1 4.18Å; I93-V210 HydrophobicContact CG2-CG2 4.3Å; I93-L213 HydrophobicContact CG1-CD1 4.02Å; I93-L214 HydrophobicContact CD1-CD1 4.48Å; I93-L214 HydrophobicContact CD1-CD2 4.19Å; I93-L214 HydrophobicContact CD1-CG 4.42Å
94A98.9Very high98.5Very high0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-58-44.8177.400000112.3L90 F91 R96 M97 E98 I128 F131 R132L90-A94 PolarHBondContact O-N 3.24Å; F91-A94 WeakPolarHBondContact O-CB 3.44Å; F91-A94 PolarHBondContact O-N 2.8Å; A94-R96 PolarHBondContact O-N 3.38Å; A94-M97 PolarHBondContact O-N 3.4Å; A94-E98 WeakPolarHBondContact O-CB 3.48Å; A94-E98 PolarHBondContact O-N 3.42Å; A94-I128 HydrophobicContact CB-CG2 4Å; A94-F131 HydrophobicContact CB-CB 4Å; A94-R132 HydrophobicContact CB-CG 3.53Å
95D98.9Very high98.4Very high62 Ų6245.8 Ų45.833%0.33223%0.225SC..Hα-helixtrans-61.9-43.2178.7-63.4-19.2000111.9F91 K92 I93 E98 Q99 R132F91-D95 PolarHBondContact O-N 3.31Å; K92-D95 PolarHBondContact O-N 2.95Å; I93-D95 VanDerWaalsContact C-N 3.35Å; I93-D95 PolarHBondContact O-N 2.99Å; D95-E98 PolarHBondContact O-N 2.78Å; D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.14Å; D95-R132 IonicContact OD1-CZ 4Å; D95-R132 VanDerWaalsContact OD1-CZ 3.25Å; D95-R132 IonicContact OD1-NH1 3.49Å; D95-R132 PolarHBondContact OD1-NH1 3.38Å; D95-R132 IonicContact OD1-NH2 3.64Å; D95-R132 PolarHBondContact OD1-NH2 2.96Å
96R98.9Very high98.3Very high69 Ų6941.8 Ų41.826%0.2620%0.204SC..Hα-helixtrans-70.8-34.2178.3-71.6-163.9-176.9-1793.3112.8K92 I93 A94 N100 I209 V210 D212 L213K92-R96 WeakPolarHBondContact O-CG 3.5Å; K92-R96 PolarHBondContact O-N 3.23Å; I93-R96 PolarHBondContact O-N 3.03Å; A94-R96 PolarHBondContact O-N 3.38Å; R96-N100 PolarHBondContact O-N 2.84Å; R96-N100 PolarHBondContact O-ND2 3.47Å; R96-I209 HydrophobicContact CB-CG2 3.78Å; R96-I209 WeakPolarHBondContact CD-O 3.48Å; R96-I209 PolarHBondContact NH1-O 3.34Å; R96-V210 HydrophobicContact CB-CG1 4.03Å; R96-D212 IonicContact CZ-OD1 2.77Å; R96-D212 IonicContact CZ-OD2 3.15Å; R96-D212 VanDerWaalsContact CZ-OD2 3.31Å; R96-D212 IonicContact NH1-OD1 3.79Å; R96-D212 PolarHBondContact NH1-OD1 3.37Å; R96-D212 IonicContact NH1-OD2 3.9Å; R96-D212 PolarHBondContact NH1-OD2 3.46Å; R96-D212 IonicContact NH2-OD1 3.98Å; R96-D212 IonicContact NH2-OD2 3.44Å; R96-D212 PolarHBondContact NH2-OD2 2.79Å; R96-L213 HydrophobicContact CG-CD1 4.31Å; R96-L213 VanDerWaalsContact CZ-CD2 3.44Å; R96-L213 VanDerWaalsContact NH2-CD2 3.27Å
97M98.8Very high98.2Very high0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-63.6-44.5171.6-72.6173.27100111.1I93 A94 Q99 N100 L101 L104 A127 I128 F131 L174 L206 V210I93-M97 HydrophobicContact CG2-CG 4.46Å; I93-M97 HydrophobicContact CG2-SD 3.82Å; I93-M97 VanDerWaalsContact O-CG 3.3Å; I93-M97 WeakPolarHBondContact O-CG 3.34Å; I93-M97 PolarHBondContact O-N 3.47Å; A94-M97 PolarHBondContact O-N 3.4Å; M97-Q99 PolarHBondContact O-N 2.84Å; M97-N100 CarbonylContact O-C 3.48Å; M97-N100 VanDerWaalsContact O-C 3.23Å; M97-N100 PolarHBondContact O-N 2.97Å; M97-L101 PolarHBondContact O-N 2.92Å; M97-L104 HydrophobicContact CB-CD1 4.17Å; M97-L104 HydrophobicContact CG-CD1 4.21Å; M97-A127 HydrophobicContact CE-CB 3.7Å; M97-I128 HydrophobicContact CB-CD1 4.24Å; M97-I128 HydrophobicContact CB-CG1 3.63Å; M97-I128 HydrophobicContact CE-CG1 4.22Å; M97-F131 HydrophobicContact CE-CD2 4.28Å; M97-F131 HydrophobicContact CE-CE2 4.18Å; M97-F131 HydrophobicContact SD-CD2 3.59Å; M97-F131 VanDerWaalsContact SD-CD2 3.59Å; M97-F131 HydrophobicContact SD-CE2 3.61Å; M97-L174 HydrophobicContact CE-CD1 4.38Å; M97-L174 HydrophobicContact CE-CD2 4.21Å; M97-L174 HydrophobicContact CE-CG 4.33Å; M97-L206 HydrophobicContact CE-CD1 4.17Å; M97-L206 HydrophobicContact CG-CD1 3.49Å; M97-L206 VanDerWaalsContact CG-CD1 3.49Å; M97-L206 HydrophobicContact SD-CD1 3.68Å; M97-V210 HydrophobicContact CG-CG1 4.43Å
98E98.8Very high98.2Very high108 Ų10841.1 Ų41.151%0.50520%0.2SC..Hα-helixtrans-61.3-42.8177.6-174.3166.7-144.700112.1A94 D95 N100 L101 I128 R132A94-E98 WeakPolarHBondContact O-CB 3.48Å; A94-E98 PolarHBondContact O-N 3.42Å; D95-E98 PolarHBondContact O-N 2.78Å; E98-N100 PolarHBondContact O-N 3.13Å; E98-L101 WeakPolarHBondContact O-CB 3.3Å; E98-L101 PolarHBondContact O-N 3.19Å; E98-I128 HydrophobicContact CB-CD1 3.91Å; E98-R132 IonicContact OE2-CZ 2.63Å; E98-R132 IonicContact OE2-NH2 3.15Å; E98-R132 PolarHBondContact OE2-NH2 2.83Å
99Q98.7Very high98.1Very high148 Ų14839 Ų3969%0.69218%0.184SC*.Hα-helixtrans-62.5-21.7174-70.61637.900113.7D95 M97D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.14Å; M97-Q99 PolarHBondContact O-N 2.84Å
100N98Very high98.1Very high52 Ų5237.8 Ų37.828%0.27818%0.177SC..THydrogen-bonded Turntrans-116.423.3-178.6-68.9-88.2000112.1R96 M97 E98 E102 L103 L104 I209R96-N100 PolarHBondContact O-N 2.84Å; R96-N100 PolarHBondContact O-ND2 3.47Å; M97-N100 CarbonylContact O-C 3.48Å; M97-N100 VanDerWaalsContact O-C 3.23Å; M97-N100 PolarHBondContact O-N 2.97Å; E98-N100 PolarHBondContact O-N 3.13Å; N100-E102 PolarHBondContact O-N 2.72Å; N100-L103 HydrophobicContact CB-CB 4.5Å; N100-L103 WeakPolarHBondContact O-CB 3.29Å; N100-L103 PolarHBondContact O-N 3.34Å; N100-L104 PolarHBondContact O-N 3.34Å; N100-I209 HydrophobicContact CB-CD1 3.71Å; N100-I209 HydrophobicContact CB-CG1 4.35Å; N100-I209 HydrophobicContact CB-CG2 4.41Å
101L98.4Very high98Very high43 Ų4337.7 Ų37.723%0.22518%0.177CC..Hα-helixtrans-58.4-49.5-173.6-178.5157.5000112.4M97 E98 L103 L104 A105 V124 P125 I128M97-L101 PolarHBondContact O-N 2.92Å; E98-L101 WeakPolarHBondContact O-CB 3.3Å; E98-L101 PolarHBondContact O-N 3.19Å; L101-L103 VanDerWaalsContact C-N 3.26Å; L101-L103 PolarHBondContact O-N 2.81Å; L101-L104 PolarHBondContact O-N 2.86Å; L101-A105 WeakPolarHBondContact O-CB 3.29Å; L101-A105 PolarHBondContact O-N 3.1Å; L101-V124 HydrophobicContact CB-CG1 4.26Å; L101-V124 HydrophobicContact CD1-CG1 4.4Å; L101-V124 HydrophobicContact CG-CB 4.19Å; L101-V124 HydrophobicContact CG-CG1 3.85Å; L101-P125 HydrophobicContact CD1-CG 4.1Å; L101-I128 HydrophobicContact CD1-CD1 4.36Å
102E95.8Very high98Very high85 Ų8534.4 Ų34.440%0.39716%0.162SC..Hα-helixtrans-62-35-179.2-67.6-167.8151.500111.8M1 F17 N100 T106M1-E102 PolarHBondContact N-OE1 3.15Å; F17-E102 HydrophobicContact CD2-CB 3.55Å; F17-E102 HydrophobicContact CD2-CG 4.44Å; F17-E102 WeakPolarHBondContact CD2-OE2 3.47Å; F17-E102 HydrophobicContact CE2-CB 3.7Å; F17-E102 VanDerWaalsContact CE2-OE2 3.25Å; F17-E102 WeakPolarHBondContact CE2-OE2 3.41Å; F17-E102 HydrophobicContact CG-CB 4.09Å; F17-E102 HydrophobicContact CZ-CB 4.35Å; N100-E102 PolarHBondContact O-N 2.72Å; E102-T106 WeakPolarHBondContact O-CB 3.35Å; E102-T106 PolarHBondContact O-N 3.35Å; E102-T106 PolarHBondContact O-OG1 2.87Å
103L95.9Very high97.9Very high33 Ų3329 Ų2917%0.17314%0.138CC..Hα-helixtrans-65.9-52.9176.317566.5000111.1F17 L19 N100 L101 A105 T106 A107 I209F17-L103 HydrophobicContact CD1-CB 4.24Å; F17-L103 HydrophobicContact CD1-CD1 4.29Å; F17-L103 HydrophobicContact CE1-CB 3.73Å; F17-L103 HydrophobicContact CE1-CD1 4.03Å; F17-L103 HydrophobicContact CE1-CG 4.48Å; F17-L103 HydrophobicContact CZ-CB 4.43Å; L19-L103 HydrophobicContact CD2-CD1 3.57Å; N100-L103 HydrophobicContact CB-CB 4.5Å; N100-L103 WeakPolarHBondContact O-CB 3.29Å; N100-L103 PolarHBondContact O-N 3.34Å; L101-L103 VanDerWaalsContact C-N 3.26Å; L101-L103 PolarHBondContact O-N 2.81Å; L103-A105 PolarHBondContact O-N 3.44Å; L103-T106 PolarHBondContact O-N 3.1Å; L103-A107 WeakPolarHBondContact O-CB 3.43Å; L103-A107 PolarHBondContact O-N 2.87Å; L103-I209 HydrophobicContact CD2-CD1 4.23Å
104L98Very high97.9Very high0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-62.5-42.9-179.9-72.6169.1000111.4M97 N100 L101 A107 E108 V124 L174 L205 I209M97-L104 HydrophobicContact CB-CD1 4.17Å; M97-L104 HydrophobicContact CG-CD1 4.21Å; N100-L104 PolarHBondContact O-N 3.34Å; L101-L104 PolarHBondContact O-N 2.86Å; L104-A107 PolarHBondContact O-N 2.95Å; L104-E108 WeakPolarHBondContact O-CG 3.42Å; L104-E108 PolarHBondContact O-N 3.38Å; L104-V124 HydrophobicContact CB-CG1 4.23Å; L104-V124 HydrophobicContact CB-CG2 3.94Å; L104-V124 HydrophobicContact CD1-CG1 4.27Å; L104-L174 HydrophobicContact CB-CD2 4.15Å; L104-L174 HydrophobicContact CD1-CD2 4.2Å; L104-L174 HydrophobicContact CD2-CD2 4.27Å; L104-L174 HydrophobicContact CG-CD2 4.45Å; L104-L205 HydrophobicContact CD2-CB 4.31Å; L104-I209 HydrophobicContact CD1-CD1 4.2Å; L104-I209 HydrophobicContact CD2-CD1 3.85Å; L104-I209 HydrophobicContact CG-CD1 3.96Å
105A98Very high97.8Very high0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-65.8-41179.700000112.2L101 L103 E108 T109 I116 T119 S120 V124L101-A105 WeakPolarHBondContact O-CB 3.29Å; L101-A105 PolarHBondContact O-N 3.1Å; L103-A105 PolarHBondContact O-N 3.44Å; A105-E108 PolarHBondContact O-N 2.91Å; A105-T109 PolarHBondContact O-N 2.8Å; A105-T109 PolarHBondContact O-OG1 3.09Å; A105-I116 HydrophobicContact CB-CD1 4.1Å; A105-T119 WeakPolarHBondContact O-CB 3.32Å; A105-T119 PolarHBondContact O-OG1 3.42Å; A105-T119 VanDerWaalsContact O-OG1 3.05Å; A105-S120 WeakPolarHBondContact CB-OG 3.43Å; A105-V124 HydrophobicContact CB-CG2 3.95Å
106T96.6Very high97.8Very high6 Ų627 Ų274%0.03713%0.128CC..Hα-helixtrans-67.5-39.9177-59.10000111.3F17 L19 E102 L103 T109 W110 L340F17-T106 HydrophobicContact CB-CG2 4.05Å; F17-T106 VanDerWaalsContact CB-OG1 3.26Å; F17-T106 WeakPolarHBondContact CB-OG1 3.46Å; L19-T106 HydrophobicContact CD1-CG2 4.11Å; L19-T106 HydrophobicContact CD2-CG2 3.87Å; L19-T106 HydrophobicContact CG-CG2 3.9Å; E102-T106 WeakPolarHBondContact O-CB 3.35Å; E102-T106 PolarHBondContact O-N 3.35Å; E102-T106 PolarHBondContact O-OG1 2.87Å; L103-T106 PolarHBondContact O-N 3.1Å; T106-T109 PolarHBondContact O-N 3.26Å; T106-W110 VanDerWaalsContact O-CD1 3.24Å; T106-W110 PolarHBondContact O-N 2.86Å; T106-L340 HydrophobicContact CG2-CD2 3.95Å
107A96.6Very high97.7Very high0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-63.1-46.7175.100000112.1L19 L103 L104 T109 W110 D111 L201 L205L19-A107 HydrophobicContact CD2-CB 4.41Å; L103-A107 WeakPolarHBondContact O-CB 3.43Å; L103-A107 PolarHBondContact O-N 2.87Å; L104-A107 PolarHBondContact O-N 2.95Å; A107-T109 VanDerWaalsContact C-N 3.33Å; A107-T109 PolarHBondContact O-N 2.93Å; A107-W110 PolarHBondContact O-N 3.47Å; A107-D111 VanDerWaalsContact O-CB 3.24Å; A107-D111 WeakPolarHBondContact O-CB 3.29Å; A107-D111 PolarHBondContact O-N 2.88Å; A107-L201 HydrophobicContact CB-CD2 4.12Å; A107-L201 HydrophobicContact CB-CG 4.26Å; A107-L205 HydrophobicContact CB-CD1 3.42Å; A107-L205 VanDerWaalsContact CB-CD1 3.42Å
108E97.6Very high97.6Very high0 Ų028.3 Ų28.30%013%0.134CC..Hα-helixtrans-53.5-48.7172.5-80.7-75.8-175.800111.9L104 A105 W110 D111 N112 T119 P173 L174 S202L104-E108 WeakPolarHBondContact O-CG 3.42Å; L104-E108 PolarHBondContact O-N 3.38Å; A105-E108 PolarHBondContact O-N 2.91Å; E108-W110 PolarHBondContact O-N 3.14Å; E108-D111 PolarHBondContact O-N 3.18Å; E108-N112 VanDerWaalsContact O-CB 3.25Å; E108-N112 WeakPolarHBondContact O-CB 3.25Å; E108-N112 PolarHBondContact O-N 3.21Å; E108-T119 HydrophobicContact CB-CG2 3.45Å; E108-T119 VanDerWaalsContact CB-CG2 3.45Å; E108-T119 HydrophobicContact CG-CG2 4.4Å; E108-P173 VanDerWaalsContact OE1-CG 3.31Å; E108-P173 WeakPolarHBondContact OE1-CG 3.23Å; E108-P173 WeakPolarHBondContact OE2-CD 2.88Å; E108-P173 WeakPolarHBondContact OE2-CG 3.32Å; E108-L174 HydrophobicContact CG-CB 4.47Å; E108-L174 WeakPolarHBondContact OE1-CA 3.44Å; E108-L174 WeakPolarHBondContact OE1-CB 3.31Å; E108-L174 PolarHBondContact OE1-N 3.41Å; E108-S202 VanDerWaalsContact CD-OG 3.29Å; E108-S202 WeakPolarHBondContact OE1-CB 3.41Å; E108-S202 PolarHBondContact OE1-OG 3.01Å
109T98.2Very high97.6Very high0 Ų023.2 Ų23.20%011%0.11CC..Hα-helixtrans-63.6-42.1-179.1-74.90000112.8A105 T106 A107 G113 K114 I116 T119 P339 L340A105-T109 PolarHBondContact O-N 2.8Å; A105-T109 PolarHBondContact O-OG1 3.09Å; T106-T109 PolarHBondContact O-N 3.26Å; A107-T109 VanDerWaalsContact C-N 3.33Å; A107-T109 PolarHBondContact O-N 2.93Å; T109-G113 VanDerWaalsContact O-CA 3.23Å; T109-G113 WeakPolarHBondContact O-CA 3.32Å; T109-G113 PolarHBondContact O-N 3.11Å; T109-K114 WeakPolarHBondContact CB-O 3.46Å; T109-K114 WeakPolarHBondContact CG2-O 3.07Å; T109-K114 PolarHBondContact OG1-O 2.92Å; T109-I116 HydrophobicContact CG2-CB 4.45Å; T109-I116 WeakPolarHBondContact OG1-CA 3.29Å; T109-I116 PolarHBondContact OG1-N 3.41Å; T109-T119 WeakPolarHBondContact OG1-CG2 3.41Å; T109-T119 PolarHBondContact OG1-OG1 3.47Å; T109-T119 VanDerWaalsContact OG1-OG1 3.04Å; T109-P339 HydrophobicContact CG2-CB 3.69Å; T109-L340 HydrophobicContact CG2-CD2 3.51Å; T109-L340 HydrophobicContact CG2-CG 3.77Å
110W97.4Very high97.6Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-65.8-39.8176.6-86.6113.2000112.3I10 K11 P12 L19 T46 V48 T49 L53 T106 A107 E108 L340I10-W110 HydrophobicContact CG2-CH2 3.86Å; I10-W110 HydrophobicContact CG2-CZ3 4.46Å; K11-W110 VanDerWaalsContact C-CH2 3.48Å; K11-W110 VanDerWaalsContact C-CZ2 3.48Å; K11-W110 WeakPolarHBondContact O-CZ2 3.35Å; P12-W110 HydrophobicContact CG-CD2 4.32Å; P12-W110 HydrophobicContact CG-CE3 4.03Å; P12-W110 HydrophobicContact CG-CH2 4.4Å; P12-W110 HydrophobicContact CG-CZ3 4.09Å; L19-W110 HydrophobicContact CD1-CB 4.45Å; L19-W110 HydrophobicContact CD1-CG 4.11Å; T46-W110 WeakPolarHBondContact CB-O 3.49Å; T46-W110 HydrophobicContact CG2-CE3 4.22Å; T46-W110 HydrophobicContact CG2-CZ3 4.39Å; T46-W110 PolarHBondContact OG1-O 2.88Å; V48-W110 HydrophobicContact CB-CE3 4.11Å; V48-W110 HydrophobicContact CB-CZ3 3.97Å; V48-W110 HydrophobicContact CG1-CE3 4.48Å; V48-W110 HydrophobicContact CG1-CZ3 3.97Å; V48-W110 HydrophobicContact CG2-CE3 4.06Å; V48-W110 HydrophobicContact CG2-CZ3 4.38Å; T49-W110 HydrophobicContact CG2-CZ3 4.49Å; L53-W110 HydrophobicContact CD2-CB 3.98Å; L53-W110 HydrophobicContact CD2-CG 4.45Å; T106-W110 VanDerWaalsContact O-CD1 3.24Å; T106-W110 PolarHBondContact O-N 2.86Å; A107-W110 PolarHBondContact O-N 3.47Å; E108-W110 PolarHBondContact O-N 3.14Å; W110-L340 HydrophobicContact CD2-CD1 3.75Å; W110-L340 HydrophobicContact CE3-CD1 4.17Å; W110-L340 HydrophobicContact CG-CD1 4.43Å; W110-L340 HydrophobicContact CH2-CD1 3.58Å; W110-L340 HydrophobicContact CZ2-CD1 3.09Å; W110-L340 HydrophobicContact CZ3-CD1 4.09Å
111D97.6Very high97.5Very high0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-80.1-42.1-172.8-151.727.7000112.1N44 P47 L53 A107 E108 T199 P200 L201N44-D111 PolarHBondContact ND2-OD1 2.81Å; N44-D111 PolarHBondContact OD1-OD1 2.9Å; P47-D111 VanDerWaalsContact CD-O 3.25Å; P47-D111 WeakPolarHBondContact CD-O 3.49Å; L53-D111 HydrophobicContact CD1-CB 4.31Å; L53-D111 WeakPolarHBondContact CD1-OD1 3.41Å; A107-D111 VanDerWaalsContact O-CB 3.24Å; A107-D111 WeakPolarHBondContact O-CB 3.29Å; A107-D111 PolarHBondContact O-N 2.88Å; E108-D111 PolarHBondContact O-N 3.18Å; D111-T199 WeakPolarHBondContact OD2-CA 3.3Å; D111-P200 WeakPolarHBondContact OD2-CD 3.43Å; D111-P200 VanDerWaalsContact OD2-N 3.12Å; D111-L201 HydrophobicContact CB-CB 4.11Å; D111-L201 HydrophobicContact CB-CD2 4.46Å; D111-L201 WeakPolarHBondContact OD2-CB 3.4Å; D111-L201 PolarHBondContact OD2-N 3.31Å
112N98.4Very high97.5Very high0 Ų018.4 Ų18.40%011%0.107CC..Hα-helixtrans-93.8-30.6-177.1177.6-87.9000113.5P47 E108 K114 W170 T199 N302 V350P47-N112 VanDerWaalsContact CG-C 3.45Å; P47-N112 WeakPolarHBondContact CG-O 3.34Å; E108-N112 VanDerWaalsContact O-CB 3.25Å; E108-N112 WeakPolarHBondContact O-CB 3.25Å; E108-N112 PolarHBondContact O-N 3.21Å; N112-K114 WeakPolarHBondContact OD1-CB 3.34Å; N112-K114 WeakPolarHBondContact OD1-CE 3.27Å; N112-K114 PolarHBondContact OD1-N 3.07Å; N112-W170 PolarHBondContact ND2-O 3.44Å; N112-T199 HydrophobicContact CB-CG2 3.87Å; N112-N302 PolarHBondContact OD1-OD1 3.05Å; N112-V350 WeakPolarHBondContact O-CA 3.19Å
113G98.1Very high97.6Very high0 Ų014.4 Ų14.40%09%0.088CC..  trans93.3-3.7-177.100000115T109 Q303 P339 G347 A348T109-G113 VanDerWaalsContact O-CA 3.23Å; T109-G113 WeakPolarHBondContact O-CA 3.32Å; T109-G113 PolarHBondContact O-N 3.11Å; G113-Q303 VanDerWaalsContact C-NE2 3.31Å; G113-Q303 PolarHBondContact O-NE2 3.41Å; G113-P339 VanDerWaalsContact O-CB 3.29Å; G113-P339 WeakPolarHBondContact O-CB 3.3Å; G113-P339 WeakPolarHBondContact O-CG 3.4Å; G113-G347 VanDerWaalsContact O-CA 3.29Å; G113-G347 WeakPolarHBondContact O-CA 3.36Å; G113-A348 PolarHBondContact O-N 2.7Å
114K97.8Very high97.7Very high0 Ų012.9 Ų12.90%08%0.08CC..  trans-73.2148.8178.673.3174.580-164.50114.9T109 N112 T119 D123 N171 F172 N302 Q303T109-K114 WeakPolarHBondContact CB-O 3.46Å; T109-K114 WeakPolarHBondContact CG2-O 3.07Å; T109-K114 PolarHBondContact OG1-O 2.92Å; N112-K114 WeakPolarHBondContact OD1-CB 3.34Å; N112-K114 WeakPolarHBondContact OD1-CE 3.27Å; N112-K114 PolarHBondContact OD1-N 3.07Å; K114-T119 HydrophobicContact CD-CG2 3.49Å; K114-T119 VanDerWaalsContact CD-CG2 3.49Å; K114-T119 HydrophobicContact CG-CG2 3.52Å; K114-D123 WeakPolarHBondContact CD-OD2 3.44Å; K114-D123 WeakPolarHBondContact CE-OD2 3.48Å; K114-D123 IonicContact NZ-OD1 3.78Å; K114-D123 IonicContact NZ-OD2 3.31Å; K114-D123 PolarHBondContact NZ-OD2 3.41Å; K114-N171 WeakPolarHBondContact CE-O 3.4Å; K114-N171 PolarHBondContact NZ-O 3.11Å; K114-F172 VanDerWaalsContact NZ-CE1 3.31Å; K114-N302 WeakPolarHBondContact CB-OD1 3.49Å; K114-N302 VanDerWaalsContact CD-OD1 3.26Å; K114-N302 WeakPolarHBondContact CD-OD1 3.31Å; K114-N302 WeakPolarHBondContact CE-OD1 3.49Å; K114-N302 PolarHBondContact NZ-OD1 3.28Å; K114-Q303 VanDerWaalsContact CA-NE2 3.25Å
115P98Very high97.8Very high0 Ų015 Ų150%09%0.094CC..  trans-55138.7-178.9-26.633.3000114.2R117 E118 T119 P339 T344P115-R117 HydrophobicContact CB-CG 3.92Å; P115-R117 PolarHBondContact O-N 3.17Å; P115-R117 VanDerWaalsContact O-N 3.1Å; P115-E118 HydrophobicContact CB-CG 4.25Å; P115-E118 WeakPolarHBondContact O-CB 3.48Å; P115-E118 PolarHBondContact O-N 3.42Å; P115-T119 PolarHBondContact O-N 2.77Å; P115-P339 CarbonylContact C-O 3.58Å; P115-P339 WeakPolarHBondContact CA-O 3.4Å; P115-T344 WeakPolarHBondContact CB-O 3.28Å; P115-T344 HydrophobicContact CG-CG2 4.45Å
116I97.4Very high97.8Very high24 Ų2416.5 Ų16.512%0.12310%0.102CC..Hα-helixtrans-58.4-28.1-179.7-170.457.6000112.8A105 T109 E118 T119 S120 P339A105-I116 HydrophobicContact CB-CD1 4.1Å; T109-I116 HydrophobicContact CG2-CB 4.45Å; T109-I116 WeakPolarHBondContact OG1-CA 3.29Å; T109-I116 PolarHBondContact OG1-N 3.41Å; I116-E118 VanDerWaalsContact C-N 3.27Å; I116-E118 PolarHBondContact O-N 2.83Å; I116-T119 WeakPolarHBondContact CA-OG1 3.21Å; I116-T119 PolarHBondContact O-OG1 2.99Å; I116-T119 VanDerWaalsContact O-OG1 3.07Å; I116-S120 WeakPolarHBondContact O-CB 3.42Å; I116-S120 PolarHBondContact O-N 3.02Å; I116-S120 PolarHBondContact O-OG 3.49Å; I116-P339 WeakPolarHBondContact CB-O 3.26Å; I116-P339 WeakPolarHBondContact CG2-O 3.5Å; I116-P339 PolarHBondContact N-O 3.36Å
117R96.7Very high97.9Very high80 Ų8016.2 Ų16.230%0.30210%0.1SC..Hα-helixtrans-66-30.5174.968.4169.973.1148.40.8112.4P115 A121 S342 V343 T344P115-R117 HydrophobicContact CB-CG 3.92Å; P115-R117 PolarHBondContact O-N 3.17Å; P115-R117 VanDerWaalsContact O-N 3.1Å; R117-A121 WeakPolarHBondContact O-CB 3.39Å; R117-A121 PolarHBondContact O-N 2.76Å; R117-A121 VanDerWaalsContact O-N 3.07Å; R117-S342 PolarHBondContact NE-O 2.8Å; R117-S342 VanDerWaalsContact NE-O 3.11Å; R117-S342 PolarHBondContact NH2-O 3.03Å; R117-V343 PolarHBondContact NH2-O 3.09Å; R117-T344 PolarHBondContact NE-O 3.08Å; R117-T344 VanDerWaalsContact NE-O 3.07Å; R117-T344 PolarHBondContact NH1-O 3.41Å; R117-T344 PolarHBondContact NH2-O 3.16Å
118E97.9Very high98Very high16 Ų1616.7 Ų16.78%0.07510%0.102CC..Hα-helixtrans-79.6-44.5-179.1-61.2-178.6-176.100109.2P115 I116 S120 A122 D123 F301 N302P115-E118 HydrophobicContact CB-CG 4.25Å; P115-E118 WeakPolarHBondContact O-CB 3.48Å; P115-E118 PolarHBondContact O-N 3.42Å; I116-E118 VanDerWaalsContact C-N 3.27Å; I116-E118 PolarHBondContact O-N 2.83Å; E118-S120 PolarHBondContact O-N 3.47Å; E118-A122 WeakPolarHBondContact O-CA 3.42Å; E118-A122 VanDerWaalsContact O-CB 3.28Å; E118-A122 WeakPolarHBondContact O-CB 3.39Å; E118-A122 PolarHBondContact O-N 3.22Å; E118-D123 PolarHBondContact O-N 2.91Å; E118-F301 HydrophobicContact CB-CE2 4.12Å; E118-F301 HydrophobicContact CG-CD2 4.14Å; E118-F301 HydrophobicContact CG-CE2 3.77Å; E118-N302 PolarHBondContact OE1-N 3.35Å; E118-N302 VanDerWaalsContact OE2-CA 3.22Å; E118-N302 WeakPolarHBondContact OE2-CA 3.25Å; E118-N302 PolarHBondContact OE2-N 2.81Å
119T98.5Very high98.1Very high0 Ų020 Ų200%012%0.12CC..Iπ-helixtrans-65.1-41176.652.50000112.3A105 E108 T109 K114 P115 I116 V124A105-T119 WeakPolarHBondContact O-CB 3.32Å; A105-T119 PolarHBondContact O-OG1 3.42Å; A105-T119 VanDerWaalsContact O-OG1 3.05Å; E108-T119 HydrophobicContact CB-CG2 3.45Å; E108-T119 VanDerWaalsContact CB-CG2 3.45Å; E108-T119 HydrophobicContact CG-CG2 4.4Å; T109-T119 WeakPolarHBondContact OG1-CG2 3.41Å; T109-T119 PolarHBondContact OG1-OG1 3.47Å; T109-T119 VanDerWaalsContact OG1-OG1 3.04Å; K114-T119 HydrophobicContact CD-CG2 3.49Å; K114-T119 VanDerWaalsContact CD-CG2 3.49Å; K114-T119 HydrophobicContact CG-CG2 3.52Å; P115-T119 PolarHBondContact O-N 2.77Å; I116-T119 WeakPolarHBondContact CA-OG1 3.21Å; I116-T119 PolarHBondContact O-OG1 2.99Å; I116-T119 VanDerWaalsContact O-OG1 3.07Å; T119-V124 WeakPolarHBondContact O-CG2 3.37Å; T119-V124 PolarHBondContact O-N 2.91Å; T119-V124 VanDerWaalsContact O-N 3.07Å
120S97.9Very high98.1Very high39 Ų3920 Ų2027%0.27312%0.12SC..Iπ-helixtrans-76.7-32-178.4-55.10000113.5A105 I116 E118 P125A105-S120 WeakPolarHBondContact CB-OG 3.43Å; I116-S120 WeakPolarHBondContact O-CB 3.42Å; I116-S120 PolarHBondContact O-N 3.02Å; I116-S120 PolarHBondContact O-OG 3.49Å; E118-S120 PolarHBondContact O-N 3.47Å; S120-P125 WeakPolarHBondContact O-CD 3.28Å; S120-P125 WeakPolarHBondContact O-CG 3.47Å
121A97.2Very high98.2Very high79 Ų7920.1 Ų20.165%0.65312%0.12SC*.Iπ-helixtrans-103.1-20.6-175.900000114.2R117R117-A121 WeakPolarHBondContact O-CB 3.39Å; R117-A121 PolarHBondContact O-N 2.76Å; R117-A121 VanDerWaalsContact O-N 3.07Å
122A97.2Very high98.2Very high25 Ų2523.1 Ų23.121%0.20713%0.132CC..Iπ-helixtrans-121.5-68.4-178.900000112E118 V124 P125 L126E118-A122 WeakPolarHBondContact O-CA 3.42Å; E118-A122 VanDerWaalsContact O-CB 3.28Å; E118-A122 WeakPolarHBondContact O-CB 3.39Å; E118-A122 PolarHBondContact O-N 3.22Å; A122-V124 PolarHBondContact O-N 3.13Å; A122-P125 WeakPolarHBondContact O-CD 3.49Å; A122-L126 HydrophobicContact CB-CD1 4.24Å; A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 WeakPolarHBondContact O-CD1 3.46Å; A122-L126 WeakPolarHBondContact O-CG 3.4Å; A122-L126 PolarHBondContact O-N 3.41Å
123D98.3Very high98.2Very high1 Ų124.4 Ų24.41%0.00514%0.137CC..Iπ-helixtrans-58.8-52.7-165.6-6612.7000113.2K114 E118 A127 F172K114-D123 WeakPolarHBondContact CD-OD2 3.44Å; K114-D123 WeakPolarHBondContact CE-OD2 3.48Å; K114-D123 IonicContact NZ-OD1 3.78Å; K114-D123 IonicContact NZ-OD2 3.31Å; K114-D123 PolarHBondContact NZ-OD2 3.41Å; E118-D123 PolarHBondContact O-N 2.91Å; D123-A127 VanDerWaalsContact O-CB 3.25Å; D123-A127 WeakPolarHBondContact O-CB 3.44Å; D123-A127 PolarHBondContact O-N 3.32Å; D123-F172 WeakPolarHBondContact OD1-CD1 3.37Å; D123-F172 WeakPolarHBondContact OD2-CD1 3.26Å
124V98.8Very high98.3Very high0 Ų024.4 Ų24.40%014%0.137CC..Hα-helixtrans-71.1-47.6-178.9-175.40000111.6L101 L104 A105 T119 A122 L126 A127 I128 L174L101-V124 HydrophobicContact CB-CG1 4.26Å; L101-V124 HydrophobicContact CD1-CG1 4.4Å; L101-V124 HydrophobicContact CG-CB 4.19Å; L101-V124 HydrophobicContact CG-CG1 3.85Å; L104-V124 HydrophobicContact CB-CG1 4.23Å; L104-V124 HydrophobicContact CB-CG2 3.94Å; L104-V124 HydrophobicContact CD1-CG1 4.27Å; A105-V124 HydrophobicContact CB-CG2 3.95Å; T119-V124 WeakPolarHBondContact O-CG2 3.37Å; T119-V124 PolarHBondContact O-N 2.91Å; T119-V124 VanDerWaalsContact O-N 3.07Å; A122-V124 PolarHBondContact O-N 3.13Å; V124-L126 VanDerWaalsContact C-N 3.34Å; V124-L126 PolarHBondContact O-N 2.81Å; V124-A127 WeakPolarHBondContact O-CB 3.35Å; V124-A127 PolarHBondContact O-N 3.26Å; V124-A127 VanDerWaalsContact O-N 3.17Å; V124-I128 HydrophobicContact CG1-CD1 3.89Å; V124-I128 HydrophobicContact CG1-CG1 4.44Å; V124-I128 WeakPolarHBondContact O-CD1 3.47Å; V124-I128 VanDerWaalsContact O-CG1 3.3Å; V124-I128 WeakPolarHBondContact O-CG1 3.39Å; V124-I128 PolarHBondContact O-N 3.2Å; V124-L174 HydrophobicContact CG1-CD2 4.47Å; V124-L174 HydrophobicContact CG2-CD2 4.01Å
125P98.8Very high98.3Very high45 Ų4524.4 Ų24.429%0.29214%0.137SC..Hα-helixtrans-55.9-43.2173.8-29.337.2000114.2L101 S120 A122 I128 D129L101-P125 HydrophobicContact CD1-CG 4.1Å; S120-P125 WeakPolarHBondContact O-CD 3.28Å; S120-P125 WeakPolarHBondContact O-CG 3.47Å; A122-P125 WeakPolarHBondContact O-CD 3.49Å; P125-I128 PolarHBondContact O-N 3.32Å; P125-D129 WeakPolarHBondContact O-CB 2.96Å; P125-D129 PolarHBondContact O-N 2.99Å
126L98.7Very high98.4Very high32 Ų3227.2 Ų27.217%0.16816%0.156CC..Hα-helixtrans-66.8-38.7177.2-69.7171.2000111.1A122 V124 D129 H130 L175 Y468A122-L126 HydrophobicContact CB-CD1 4.24Å; A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 WeakPolarHBondContact O-CD1 3.46Å; A122-L126 WeakPolarHBondContact O-CG 3.4Å; A122-L126 PolarHBondContact O-N 3.41Å; V124-L126 VanDerWaalsContact C-N 3.34Å; V124-L126 PolarHBondContact O-N 2.81Å; L126-D129 PolarHBondContact O-N 3.43Å; L126-H130 PolarHBondContact O-N 2.89Å; L126-H130 PolarHBondContact O-ND1 2.92Å; L126-L175 HydrophobicContact CB-CD1 3.54Å; L126-L175 HydrophobicContact CB-CD2 4.34Å; L126-L175 HydrophobicContact CD1-CD2 4.19Å; L126-Y468 WeakPolarHBondContact CD2-O 3.27Å
127A98.9Very high98.4Very high0 Ų026.8 Ų26.80%016%0.155CC..Hα-helixtrans-60.9-45.8175.700000111.5M97 D123 V124 H130 F131 L174 L175 S178M97-A127 HydrophobicContact CE-CB 3.7Å; D123-A127 VanDerWaalsContact O-CB 3.25Å; D123-A127 WeakPolarHBondContact O-CB 3.44Å; D123-A127 PolarHBondContact O-N 3.32Å; V124-A127 WeakPolarHBondContact O-CB 3.35Å; V124-A127 PolarHBondContact O-N 3.26Å; V124-A127 VanDerWaalsContact O-N 3.17Å; A127-H130 PolarHBondContact O-N 3.22Å; A127-F131 WeakPolarHBondContact O-CD2 3.4Å; A127-F131 PolarHBondContact O-N 3.11Å; A127-L174 HydrophobicContact CB-CD2 4.44Å; A127-L174 HydrophobicContact CB-CG 4.24Å; A127-L175 HydrophobicContact CB-CD1 4.18Å; A127-S178 WeakPolarHBondContact CB-OG 3.49Å
128I98.9Very high98.5Very high10 Ų1023.2 Ų23.25%0.05114%0.142CC..Hα-helixtrans-57.5-49.8173.7-67.9161.1000110.4A94 M97 E98 L101 V124 P125 H130 F131 R132A94-I128 HydrophobicContact CB-CG2 4Å; M97-I128 HydrophobicContact CB-CD1 4.24Å; M97-I128 HydrophobicContact CB-CG1 3.63Å; M97-I128 HydrophobicContact CE-CG1 4.22Å; E98-I128 HydrophobicContact CB-CD1 3.91Å; L101-I128 HydrophobicContact CD1-CD1 4.36Å; V124-I128 HydrophobicContact CG1-CD1 3.89Å; V124-I128 HydrophobicContact CG1-CG1 4.44Å; V124-I128 WeakPolarHBondContact O-CD1 3.47Å; V124-I128 VanDerWaalsContact O-CG1 3.3Å; V124-I128 WeakPolarHBondContact O-CG1 3.39Å; V124-I128 PolarHBondContact O-N 3.2Å; P125-I128 PolarHBondContact O-N 3.32Å; I128-H130 VanDerWaalsContact C-N 3.29Å; I128-H130 PolarHBondContact O-N 3.17Å; I128-F131 PolarHBondContact O-N 3.4Å; I128-R132 PolarHBondContact O-N 3.38Å; I128-R132 VanDerWaalsContact O-N 3.13Å
129D98.8Very high98.5Very high69 Ų6928.3 Ų28.337%0.36916%0.161SC..Hα-helixtrans-59.1-38.5-178.8-173.152.6000112.1P125 L126 F131 R132 Y133 A470P125-D129 WeakPolarHBondContact O-CB 2.96Å; P125-D129 PolarHBondContact O-N 2.99Å; L126-D129 PolarHBondContact O-N 3.43Å; D129-F131 PolarHBondContact O-N 3.02Å; D129-R132 PolarHBondContact O-N 3.41Å; D129-Y133 WeakPolarHBondContact O-CB 3.21Å; D129-Y133 PolarHBondContact O-N 3.41Å; D129-A470 VanDerWaalsContact OD2-CB 3.24Å; D129-A470 WeakPolarHBondContact OD2-CB 3.35Å
130H98.8Very high98.5Very high0 Ų032 Ų320%019%0.191CC..Hα-helixtrans-63.7-38.9177.4-79.175.2000113.2L126 A127 I128 Y133 F134 W179 T486L126-H130 PolarHBondContact O-N 2.89Å; L126-H130 PolarHBondContact O-ND1 2.92Å; A127-H130 PolarHBondContact O-N 3.22Å; I128-H130 VanDerWaalsContact C-N 3.29Å; I128-H130 PolarHBondContact O-N 3.17Å; H130-Y133 PolarHBondContact O-N 2.96Å; H130-F134 WeakPolarHBondContact O-CD2 3.46Å; H130-F134 PolarHBondContact O-N 3.42Å; H130-W179 AromaticContact CD2-CD1 3.45Å; H130-W179 VanDerWaalsContact CD2-CD1 3.45Å; H130-W179 AromaticContact CD2-NE1 3.73Å; H130-W179 AromaticContact CE1-CD1 3.71Å; H130-W179 AromaticContact CE1-NE1 3.18Å; H130-W179 PolarHBondContact CE1-NE1 3.17Å; H130-W179 AromaticContact CG-CD1 3.63Å; H130-W179 AromaticContact CG-NE1 3.91Å; H130-W179 AromaticContact ND1-CD1 3.76Å; H130-W179 AromaticContact ND1-NE1 3.57Å; H130-W179 AromaticContact NE2-CD1 3.52Å; H130-W179 AromaticContact NE2-NE1 3.28Å; H130-W179 PolarHBondContact NE2-NE1 3.34Å; H130-T486 VanDerWaalsContact NE2-CB 3.3Å; H130-T486 WeakPolarHBondContact NE2-CB 3.08Å; H130-T486 WeakPolarHBondContact NE2-CG2 3.36Å
131F98.9Very high98.5Very high3 Ų332.8 Ų32.81%0.01319%0.19CC..Hα-helixtrans-64.4-45.3173.2-79.4-73.2000111.6L90 I93 A94 M97 A127 I128 D129 Y133 A135 S178 M181 A182 L185L90-F131 HydrophobicContact CD2-CD1 3.85Å; L90-F131 HydrophobicContact CD2-CE1 4.22Å; I93-F131 HydrophobicContact CB-CD1 4.4Å; I93-F131 HydrophobicContact CD1-CE1 4.35Å; I93-F131 HydrophobicContact CG2-CD1 3.82Å; I93-F131 HydrophobicContact CG2-CD2 3.93Å; I93-F131 HydrophobicContact CG2-CE1 3.84Å; I93-F131 HydrophobicContact CG2-CE2 3.93Å; I93-F131 HydrophobicContact CG2-CG 3.88Å; I93-F131 HydrophobicContact CG2-CZ 3.89Å; A94-F131 HydrophobicContact CB-CB 4Å; M97-F131 HydrophobicContact CE-CD2 4.28Å; M97-F131 HydrophobicContact CE-CE2 4.18Å; M97-F131 HydrophobicContact SD-CD2 3.59Å; M97-F131 VanDerWaalsContact SD-CD2 3.59Å; M97-F131 HydrophobicContact SD-CE2 3.61Å; A127-F131 WeakPolarHBondContact O-CD2 3.4Å; A127-F131 PolarHBondContact O-N 3.11Å; I128-F131 PolarHBondContact O-N 3.4Å; D129-F131 PolarHBondContact O-N 3.02Å; F131-Y133 VanDerWaalsContact C-N 3.34Å; F131-Y133 PolarHBondContact O-N 2.91Å; F131-A135 VanDerWaalsContact O-CB 3.29Å; F131-A135 WeakPolarHBondContact O-CB 3.36Å; F131-A135 PolarHBondContact O-N 3.01Å; F131-S178 WeakPolarHBondContact CE2-OG 3.41Å; F131-M181 HydrophobicContact CZ-CB 4.33Å; F131-M181 HydrophobicContact CZ-CE 4.29Å; F131-A182 HydrophobicContact CD1-CB 3.74Å; F131-A182 HydrophobicContact CE1-CB 3.95Å; F131-A182 HydrophobicContact CG-CB 4.17Å; F131-L185 HydrophobicContact CE1-CD1 4.42Å
132R98.9Very high98.4Very high62 Ų6237 Ų3723%0.23420%0.196CC..Hα-helixtrans-62.4-41.8176.5-63.1-169.4-178.8-66.82.4112F91 A94 D95 E98 I128 D129 A135 S136F91-R132 HydrophobicContact CD1-CB 4.4Å; F91-R132 HydrophobicContact CD1-CG 4.31Å; F91-R132 HydrophobicContact CE1-CB 4.18Å; A94-R132 HydrophobicContact CB-CG 3.53Å; D95-R132 IonicContact OD1-CZ 4Å; D95-R132 VanDerWaalsContact OD1-CZ 3.25Å; D95-R132 IonicContact OD1-NH1 3.49Å; D95-R132 PolarHBondContact OD1-NH1 3.38Å; D95-R132 IonicContact OD1-NH2 3.64Å; D95-R132 PolarHBondContact OD1-NH2 2.96Å; E98-R132 IonicContact OE2-CZ 2.63Å; E98-R132 IonicContact OE2-NH2 3.15Å; E98-R132 PolarHBondContact OE2-NH2 2.83Å; I128-R132 PolarHBondContact O-N 3.38Å; I128-R132 VanDerWaalsContact O-N 3.13Å; D129-R132 PolarHBondContact O-N 3.41Å; R132-A135 WeakPolarHBondContact O-CB 3.34Å; R132-A135 PolarHBondContact O-N 2.86Å; R132-S136 PolarHBondContact O-N 2.8Å; R132-S136 PolarHBondContact O-OG 3.5Å
133Y98.9Very high98.1Very high28 Ų2838.3 Ų38.311%0.1121%0.212CC..Hα-helixtrans-64.7-49-179176.1-104.2000111.5D129 H130 F131 S136 C137 A470 H471 K488D129-Y133 WeakPolarHBondContact O-CB 3.21Å; D129-Y133 PolarHBondContact O-N 3.41Å; H130-Y133 PolarHBondContact O-N 2.96Å; F131-Y133 VanDerWaalsContact C-N 3.34Å; F131-Y133 PolarHBondContact O-N 2.91Å; Y133-S136 WeakPolarHBondContact O-CB 3.45Å; Y133-S136 PolarHBondContact O-N 3.19Å; Y133-S136 VanDerWaalsContact O-N 3.11Å; Y133-C137 WeakPolarHBondContact CE1-SG 3.28Å; Y133-C137 VanDerWaalsContact CE2-SG 3.56Å; Y133-C137 PolarHBondContact O-N 2.98Å; Y133-C137 PolarHBondContact O-SG 2.9Å; Y133-C137 PolarHBondContact OH-SG 2.91Å; Y133-A470 HydrophobicContact CD1-CB 3.8Å; Y133-A470 HydrophobicContact CD2-CB 3.92Å; Y133-A470 HydrophobicContact CG-CB 3.46Å; Y133-A470 VanDerWaalsContact CG-CB 3.46Å; Y133-H471 HydrophobicContact CD2-CB 4.23Å; Y133-H471 HydrophobicContact CE2-CB 3.43Å; Y133-H471 VanDerWaalsContact CE2-CB 3.43Å; Y133-H471 AromaticContact CE2-CG 3.77Å; Y133-H471 AromaticContact CE2-ND1 3.48Å; Y133-H471 WeakPolarHBondContact CE2-ND1 3.36Å; Y133-H471 AromaticContact CZ-ND1 3.52Å; Y133-H471 PolarHBondContact OH-ND1 2.96Å; Y133-K488 WeakPolarHBondContact OH-CB 3.34Å; Y133-K488 PolarHBondContact OH-N 3.02Å
134F98.9Very high97.8Very high0 Ų039.9 Ų39.90%023%0.229CC..Hα-helixtrans-72.8-27.9178.5-79.6-70.6000113.5H130 S136 C137 I138 A182 P183 A186 H487 M490 L491H130-F134 WeakPolarHBondContact O-CD2 3.46Å; H130-F134 PolarHBondContact O-N 3.42Å; F134-S136 PolarHBondContact O-N 2.99Å; F134-C137 HydrophobicContact CD1-CB 4.3Å; F134-C137 PolarHBondContact O-N 3.41Å; F134-I138 WeakPolarHBondContact O-CG2 3.45Å; F134-I138 PolarHBondContact O-N 3.44Å; F134-I138 VanDerWaalsContact O-N 3.09Å; F134-A182 HydrophobicContact CB-CB 4.2Å; F134-A182 HydrophobicContact CD2-CB 3.88Å; F134-A182 HydrophobicContact CG-CB 4.4Å; F134-P183 HydrophobicContact CD1-CB 3.77Å; F134-P183 HydrophobicContact CD2-CB 4.14Å; F134-P183 HydrophobicContact CD2-CG 4.28Å; F134-P183 HydrophobicContact CE1-CB 3.61Å; F134-P183 HydrophobicContact CE1-CG 4.43Å; F134-P183 HydrophobicContact CE2-CB 3.98Å; F134-P183 HydrophobicContact CE2-CG 3.96Å; F134-P183 HydrophobicContact CG-CB 4.04Å; F134-P183 HydrophobicContact CZ-CB 3.72Å; F134-P183 HydrophobicContact CZ-CG 4.05Å; F134-A186 HydrophobicContact CB-CB 4.07Å; F134-H487 WeakPolarHBondContact CZ-O 3.25Å; F134-M490 HydrophobicContact CE1-CB 4.17Å; F134-M490 HydrophobicContact CZ-CB 3.89Å; F134-L491 HydrophobicContact CD1-CD2 4.02Å; F134-L491 HydrophobicContact CD1-CG 4.25Å; F134-L491 HydrophobicContact CE1-CD2 4.43Å; F134-L491 HydrophobicContact CE1-CG 4.31Å
135A98.9Very high97.7Very high0 Ų045.9 Ų45.90%026%0.26CS..Hα-helixtrans-58.5-38.3166.500000111.8A87 L90 F91 F131 R132 I138 R139A87-A135 HydrophobicContact CB-CB 4.25Å; A87-A135 VanDerWaalsContact CB-O 3.31Å; A87-A135 WeakPolarHBondContact CB-O 3.08Å; L90-A135 HydrophobicContact CB-CB 3.71Å; L90-A135 HydrophobicContact CD1-CB 4.28Å; F91-A135 HydrophobicContact CD1-CB 3.9Å; F91-A135 HydrophobicContact CD2-CB 3.8Å; F91-A135 HydrophobicContact CE1-CB 3.72Å; F91-A135 HydrophobicContact CE2-CB 3.61Å; F91-A135 HydrophobicContact CG-CB 3.94Å; F91-A135 HydrophobicContact CZ-CB 3.57Å; F131-A135 VanDerWaalsContact O-CB 3.29Å; F131-A135 WeakPolarHBondContact O-CB 3.36Å; F131-A135 PolarHBondContact O-N 3.01Å; R132-A135 WeakPolarHBondContact O-CB 3.34Å; R132-A135 PolarHBondContact O-N 2.86Å; A135-I138 WeakPolarHBondContact O-CG2 3.39Å; A135-R139 VanDerWaalsContact O-CG 3.23Å; A135-R139 WeakPolarHBondContact O-CG 3.24Å
136S98.8Very high97.7Very high58 Ų5846.6 Ų46.641%0.40627%0.266SS..Hα-helixtrans-77.1-42.4177.6-54.40000112R132 Y133 F134 I138 R139 A140R132-S136 PolarHBondContact O-N 2.8Å; R132-S136 PolarHBondContact O-OG 3.5Å; Y133-S136 WeakPolarHBondContact O-CB 3.45Å; Y133-S136 PolarHBondContact O-N 3.19Å; Y133-S136 VanDerWaalsContact O-N 3.11Å; F134-S136 PolarHBondContact O-N 2.99Å; S136-I138 PolarHBondContact O-N 3.35Å; S136-R139 WeakPolarHBondContact O-CB 3.37Å; S136-R139 PolarHBondContact O-N 2.77Å; S136-R139 VanDerWaalsContact O-N 3.17Å; S136-A140 PolarHBondContact O-N 2.94Å
137C98.7Very high97.6Very high15 Ų1552.5 Ų52.510%0.10129%0.293CS..Hα-helixtrans-60.4-43.5-179.4-720000112.5Y133 F134 R139 A140 Q141 K488 L491Y133-C137 WeakPolarHBondContact CE1-SG 3.28Å; Y133-C137 VanDerWaalsContact CE2-SG 3.56Å; Y133-C137 PolarHBondContact O-N 2.98Å; Y133-C137 PolarHBondContact O-SG 2.9Å; Y133-C137 PolarHBondContact OH-SG 2.91Å; F134-C137 HydrophobicContact CD1-CB 4.3Å; F134-C137 PolarHBondContact O-N 3.41Å; C137-R139 VanDerWaalsContact C-N 3.26Å; C137-R139 PolarHBondContact O-N 2.88Å; C137-A140 CarbonylContact O-C 3.53Å; C137-A140 PolarHBondContact O-N 3.46Å; C137-Q141 PolarHBondContact O-N 3.06Å; C137-K488 HydrophobicContact CB-CB 4.2Å; C137-L491 HydrophobicContact CB-CD1 4.07Å
138I98.5Very high97.5Very high5 Ų556.9 Ų56.93%0.02632%0.319CS..Hα-helixtrans-68.3-26.9179.8-166.366.3000112.6V83 A87 F134 A135 S136 A140 A186 L491V83-I138 HydrophobicContact CB-CG1 4.12Å; V83-I138 HydrophobicContact CG1-CD1 4.43Å; V83-I138 HydrophobicContact CG1-CG1 3.98Å; A87-I138 HydrophobicContact CB-CG2 3.94Å; F134-I138 WeakPolarHBondContact O-CG2 3.45Å; F134-I138 PolarHBondContact O-N 3.44Å; F134-I138 VanDerWaalsContact O-N 3.09Å; A135-I138 WeakPolarHBondContact O-CG2 3.39Å; S136-I138 PolarHBondContact O-N 3.35Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A186 HydrophobicContact CB-CB 4.13Å; I138-A186 WeakPolarHBondContact CD1-O 3.42Å; I138-A186 WeakPolarHBondContact CG1-O 3.48Å; I138-A186 HydrophobicContact CG2-CB 4.32Å; I138-L491 HydrophobicContact CD1-CD1 4.44Å; I138-L491 HydrophobicContact CD1-CD2 4.41Å
139R98.3Very high97.4Very high124 Ų12460 Ų6047%0.46834%0.336SS..Hα-helixtrans-74.7-23.5175.3-67-68.9-60.4136.71.5112.9Q84 A87 A135 S136 C137Q84-R139 VanDerWaalsContact CG-NH1 3.26Å; A87-R139 HydrophobicContact CB-CG 3.65Å; A135-R139 VanDerWaalsContact O-CG 3.23Å; A135-R139 WeakPolarHBondContact O-CG 3.24Å; S136-R139 WeakPolarHBondContact O-CB 3.37Å; S136-R139 PolarHBondContact O-N 2.77Å; S136-R139 VanDerWaalsContact O-N 3.17Å; C137-R139 VanDerWaalsContact C-N 3.26Å; C137-R139 PolarHBondContact O-N 2.88Å
140A97.8Very high97.3Very high76 Ų7662.1 Ų62.163%0.62836%0.356SS*.SBendtrans-107.53.5179.600000113.1S136 C137 I138 E142S136-A140 PolarHBondContact O-N 2.94Å; C137-A140 CarbonylContact O-C 3.53Å; C137-A140 PolarHBondContact O-N 3.46Å; I138-A140 VanDerWaalsContact C-N 3.31Å; A140-E142 PolarHBondContact O-N 3.2Å
141Q97.8Very high97.2Very high56 Ų5665.9 Ų65.926%0.26237%0.374SS..PPolyproline II helixtrans-72.4125.4177.6-174.1-179.140.600109.2C137 L491C137-Q141 PolarHBondContact O-N 3.06Å; Q141-L491 HydrophobicContact CB-CD1 4.36Å; Q141-L491 HydrophobicContact CG-CD1 4.46Å
142E95.2Very high97.1Very high167 Ų16766.9 Ų66.978%0.7838%0.38SS*.PPolyproline II helixtrans-103.7147.3175.7-65.7175.2175.400110.2A140 H158A140-E142 PolarHBondContact O-N 3.2Å; E142-H158 PolarHBondContact O-NE2 3.17Å; E142-H158 VanDerWaalsContact O-NE2 3.14Å
143G89.8Confident97.1Very high53 Ų5365.1 Ų65.155%0.54638%0.376SS..PPolyproline II helixtrans-87.7167.3163.200000110.6
144G93.6Very high97Very high35 Ų3564.1 Ų64.136%0.36137%0.374SS..EExtended strand (participates in β ladder)trans-103.6147.8174.700000112H156G144-H156 WeakPolarHBondContact O-CB 3.18Å; G144-H156 PolarHBondContact O-N 3.11Å; G144-H156 PolarHBondContact O-ND1 3Å
145I96.3Very high97Very high125 Ų12567.1 Ų67.164%0.64139%0.386SS*.EExtended strand (participates in β ladder)trans-121143.216064.9172.9000109.2V153 A154 Y155I145-V153 HydrophobicContact CB-CG1 4.39Å; I145-A154 CarbonylContact C-O 3.43Å; I145-A154 VanDerWaalsContact CA-O 3.29Å; I145-A154 WeakPolarHBondContact CA-O 3.45Å; I145-Y155 HydrophobicContact CG2-CD1 3.72Å; I145-Y155 HydrophobicContact CG2-CE1 4.2Å
146S97.6Very high96.9Very high60 Ų6069.9 Ų69.942%0.4240%0.398SS..EExtended strand (participates in β ladder)trans-118.4114168.8-520000108.4V148 V153 A154S146-V148 PolarHBondContact O-N 2.93Å; S146-V153 WeakPolarHBondContact O-CA 3.43Å; S146-A154 PolarHBondContact N-O 2.89Å; S146-A154 PolarHBondContact O-N 2.69Å
147E97.3Very high96.8Very high157 Ų15772 Ų7273%0.73440%0.4SS*.EExtended strand (participates in β ladder)trans-73.8103.3165.6-172.1178153.700107.3D149E147-D149 WeakPolarHBondContact CG-O 3.38Å
148V97Very high96.7Very high91 Ų9173.9 Ų73.955%0.55241%0.408SS*.EExtended strand (participates in β ladder)trans-76.8-45.1-177.91800000109.1S146 T152 L501S146-V148 PolarHBondContact O-N 2.93Å; V148-T152 HydrophobicContact CB-CG2 4.13Å; V148-T152 WeakPolarHBondContact CB-O 3.42Å; V148-T152 HydrophobicContact CG2-CG2 4.35Å; V148-T152 PolarHBondContact N-O 3.07Å; V148-L501 HydrophobicContact CG2-CD1 4.17Å
149D96.4Very high96.7Very high76 Ų7676.2 Ų76.241%0.40642%0.418SS..EExtended strand (participates in β ladder)trans-154-174.5170.560.347.2000109.6E147 E151 T152E147-D149 WeakPolarHBondContact CG-O 3.38Å; D149-E151 PolarHBondContact O-N 3.16Å; D149-E151 VanDerWaalsContact O-N 3.1Å; D149-E151 WeakPolarHBondContact OD1-CA 3.33Å; D149-E151 PolarHBondContact OD1-N 3.19Å; D149-T152 PolarHBondContact N-O 3.36Å; D149-T152 PolarHBondContact O-N 3.34Å; D149-T152 VanDerWaalsContact OD1-CB 3.3Å; D149-T152 WeakPolarHBondContact OD1-CB 3.5Å; D149-T152 PolarHBondContact OD1-N 3.42Å; D149-T152 PolarHBondContact OD1-OG1 3.39Å; D149-T152 VanDerWaalsContact OD1-OG1 3.09Å; D149-T152 PolarHBondContact OD2-OG1 3.33Å
150S96.2Very high96.7Very high113 Ų11371.7 Ų71.779%0.7941%0.405SS*.THydrogen-bonded Turntrans-63.4-15.6-176.457.30000115.1
151E96.6Very high96.7Very high80 Ų8069.9 Ų69.937%0.37439%0.385SS..THydrogen-bonded Turntrans-122-4.1-178.7-62-173.6153.500112.4D149 S503 Y504 S505D149-E151 PolarHBondContact O-N 3.16Å; D149-E151 VanDerWaalsContact O-N 3.1Å; D149-E151 WeakPolarHBondContact OD1-CA 3.33Å; D149-E151 PolarHBondContact OD1-N 3.19Å; E151-S503 CarbonylContact O-C 3.35Å; E151-Y504 PolarHBondContact O-N 3.24Å; E151-S505 WeakPolarHBondContact OE2-CB 3.4Å; E151-S505 PolarHBondContact OE2-OG 2.95Å
152T97.7Very high96.8Very high23 Ų2367.8 Ų67.814%0.14138%0.378CS..EExtended strand (participates in β ladder)trans-127.8122.8-173.6-51.90000112.1V148 D149 L501 V502V148-T152 HydrophobicContact CB-CG2 4.13Å; V148-T152 WeakPolarHBondContact CB-O 3.42Å; V148-T152 HydrophobicContact CG2-CG2 4.35Å; V148-T152 PolarHBondContact N-O 3.07Å; D149-T152 PolarHBondContact N-O 3.36Å; D149-T152 PolarHBondContact O-N 3.34Å; D149-T152 VanDerWaalsContact OD1-CB 3.3Å; D149-T152 WeakPolarHBondContact OD1-CB 3.5Å; D149-T152 PolarHBondContact OD1-N 3.42Å; D149-T152 PolarHBondContact OD1-OG1 3.39Å; D149-T152 VanDerWaalsContact OD1-OG1 3.09Å; D149-T152 PolarHBondContact OD2-OG1 3.33Å; T152-L501 HydrophobicContact CG2-CD1 3.78Å; T152-L501 HydrophobicContact CG2-CG 4.22Å; T152-V502 WeakPolarHBondContact CA-O 3.45Å
153V98.4Very high97Very high25 Ų2560 Ų6015%0.15234%0.342CS..EExtended strand (participates in β ladder)trans-126.2134.9179.5-177.60000110.6I145 S146 Y155 V502 Y504I145-V153 HydrophobicContact CB-CG1 4.39Å; S146-V153 WeakPolarHBondContact O-CA 3.43Å; V153-Y155 HydrophobicContact CB-CE2 4.18Å; V153-Y155 HydrophobicContact CG1-CD1 4.35Å; V153-Y155 HydrophobicContact CG1-CD2 4.41Å; V153-Y155 HydrophobicContact CG1-CE1 3.95Å; V153-Y155 HydrophobicContact CG1-CE2 4.03Å; V153-V502 PolarHBondContact N-O 2.87Å; V153-V502 PolarHBondContact O-N 3.21Å; V153-Y504 HydrophobicContact CB-CE2 4.42Å; V153-Y504 HydrophobicContact CG2-CE2 4.31Å
154A98.3Very high97.4Very high7 Ų757.5 Ų57.56%0.05832%0.316CS..EExtended strand (participates in β ladder)trans-100.7113.7170.300000110.5I145 S146 H156 L501I145-A154 CarbonylContact C-O 3.43Å; I145-A154 VanDerWaalsContact CA-O 3.29Å; I145-A154 WeakPolarHBondContact CA-O 3.45Å; S146-A154 PolarHBondContact N-O 2.89Å; S146-A154 PolarHBondContact O-N 2.69Å; A154-H156 PolarHBondContact O-ND1 3.12Å; A154-L501 HydrophobicContact CB-CD1 3.75Å
155Y97.7Very high97.6Very high64 Ų6455.9 Ų55.925%0.25130%0.299SS..EExtended strand (participates in β ladder)trans-92.3132.3174.2-57.8-83.3000110.8I145 V153 F157 C499 L500 V502 Y504I145-Y155 HydrophobicContact CG2-CD1 3.72Å; I145-Y155 HydrophobicContact CG2-CE1 4.2Å; V153-Y155 HydrophobicContact CB-CE2 4.18Å; V153-Y155 HydrophobicContact CG1-CD1 4.35Å; V153-Y155 HydrophobicContact CG1-CD2 4.41Å; V153-Y155 HydrophobicContact CG1-CE1 3.95Å; V153-Y155 HydrophobicContact CG1-CE2 4.03Å; Y155-F157 VanDerWaalsContact CB-CE2 3.48Å; Y155-F157 HydrophobicContact CG-CE2 4.4Å; Y155-F157 HydrophobicContact CG-CZ 4.32Å; Y155-C499 CarbonylContact O-C 3.47Å; Y155-C499 VanDerWaalsContact O-CA 3.29Å; Y155-C499 WeakPolarHBondContact O-CA 3.14Å; Y155-L500 WeakPolarHBondContact CD2-O 3.2Å; Y155-L500 PolarHBondContact N-O 3.19Å; Y155-L500 PolarHBondContact O-N 3.39Å; Y155-V502 HydrophobicContact CD2-CG2 3.83Å; Y155-V502 HydrophobicContact CE2-CB 4.07Å; Y155-V502 HydrophobicContact CE2-CG2 3.73Å; Y155-Y504 PolarHBondContact OH-OH 3.14Å
156H97.3Very high97.8Very high57 Ų5749.9 Ų49.926%0.26427%0.268SS..EExtended strand (participates in β ladder)trans-112.1109.7177.8-59.483.2000110.3G144 A154 T497 K498G144-H156 WeakPolarHBondContact O-CB 3.18Å; G144-H156 PolarHBondContact O-N 3.11Å; G144-H156 PolarHBondContact O-ND1 3Å; A154-H156 PolarHBondContact O-ND1 3.12Å; H156-T497 HydrophobicContact CB-CG2 3.78Å; H156-K498 WeakPolarHBondContact CA-O 3.43Å
157F96Very high97.8Very high102 Ų10247.6 Ų47.645%0.44725%0.251SS..EExtended strand (participates in β ladder)trans-102.1138.5178.5-57.8-82.2000110.9Y155 T497 K498 L500Y155-F157 VanDerWaalsContact CB-CE2 3.48Å; Y155-F157 HydrophobicContact CG-CE2 4.4Å; Y155-F157 HydrophobicContact CG-CZ 4.32Å; F157-T497 CarbonylContact O-C 3.56Å; F157-T497 WeakPolarHBondContact O-CA 3.48Å; F157-K498 HydrophobicContact CB-CB 4.46Å; F157-K498 PolarHBondContact N-O 3.4Å; F157-K498 PolarHBondContact O-N 2.95Å; F157-L500 HydrophobicContact CD2-CB 4.41Å; F157-L500 HydrophobicContact CE2-CB 3.9Å; F157-L500 HydrophobicContact CE2-CD2 4.1Å
158H97.6Very high97.9Very high56 Ų5640.3 Ų40.326%0.25922%0.217SC..EExtended strand (participates in β ladder)trans-91.7120.7170.9-60.2-64.9000109.9E142 Q495E142-H158 PolarHBondContact O-NE2 3.17Å; E142-H158 VanDerWaalsContact O-NE2 3.14Å; H158-Q495 HydrophobicContact CB-CB 4.42Å
159E97.9Very high98Very high53 Ų5336.5 Ų36.525%0.24820%0.195CC..EExtended strand (participates in β ladder)trans-118.5139.6179.8-62.2-179155.400110.3Q495 Q496 K498E159-Q495 CarbonylContact O-C 3.59Å; E159-Q495 WeakPolarHBondContact O-CA 3.49Å; E159-Q495 WeakPolarHBondContact O-CB 3.4Å; E159-Q496 HydrophobicContact CB-CG 3.97Å; E159-Q496 PolarHBondContact N-O 3.37Å; E159-Q496 PolarHBondContact O-N 2.97Å; E159-Q496 PolarHBondContact OE2-NE2 2.9Å; E159-Q496 VanDerWaalsContact OE2-NE2 3.13Å; E159-K498 WeakPolarHBondContact OE1-CD 3.5Å; E159-K498 WeakPolarHBondContact OE1-CE 3.2Å; E159-K498 IonicContact OE1-NZ 3.35Å; E159-K498 PolarHBondContact OE1-NZ 2.89Å; E159-K498 WeakPolarHBondContact OE2-CE 3.15Å; E159-K498 IonicContact OE2-NZ 2.72Å; E159-K498 PolarHBondContact OE2-NZ 3.3Å
160P98.6Very high98.1Very high30 Ų3035.1 Ų35.120%0.19518%0.184CC..EExtended strand (participates in β ladder)trans-61151.7173.723-30.2000111.7A79 G162 A187 G188A79-P160 HydrophobicContact CB-CG 3.49Å; A79-P160 VanDerWaalsContact CB-CG 3.49Å; P160-G162 VanDerWaalsContact C-N 3.32Å; P160-A187 WeakPolarHBondContact CB-O 3.41Å; P160-G188 WeakPolarHBondContact CB-O 3.36Å
161L98.6Very high98.2Very high38 Ų3830 Ų3020%0.19915%0.147CC..  trans-71.3-28.6173.1-59.8177.1000112.4V164 N189 A240 K241 P264 Y494 Q496L161-V164 HydrophobicContact CB-CG1 4.47Å; L161-N189 WeakPolarHBondContact CA-OD1 3.14Å; L161-N189 PolarHBondContact N-OD1 3.36Å; L161-A240 HydrophobicContact CB-CB 3.86Å; L161-A240 VanDerWaalsContact O-CB 3.27Å; L161-A240 WeakPolarHBondContact O-CB 3.1Å; L161-K241 HydrophobicContact CD1-CB 3.84Å; L161-K241 HydrophobicContact CD1-CD 3.81Å; L161-K241 HydrophobicContact CD1-CG 4.46Å; L161-P264 HydrophobicContact CD1-CG 4.28Å; L161-Y494 PolarHBondContact N-O 3.16Å; L161-Q496 HydrophobicContact CD2-CB 4.19Å
162G98.7Very high98.3Very high12 Ų1226.7 Ų26.712%0.12413%0.132CC..  trans117-110.3178.700000112.1P160 N189 C190P160-G162 VanDerWaalsContact C-N 3.32Å; G162-N189 PolarHBondContact N-OD1 2.79Å; G162-N189 CarbonylContact O-C 3.56Å; G162-N189 WeakPolarHBondContact O-CA 3.41Å; G162-N189 VanDerWaalsContact O-CB 3.31Å; G162-N189 WeakPolarHBondContact O-CB 3.31Å; G162-C190 PolarHBondContact O-N 2.84Å
163V98.9Very high98.3Very high4 Ų425.6 Ų25.62%0.02413%0.125CC..EExtended strand (participates in β ladder)trans-98.3127.8178.7-1770000109.6L68 A71 K75 C190 V192 I239 A240L68-V163 HydrophobicContact CD2-CG1 4.09Å; A71-V163 HydrophobicContact CB-CB 4.44Å; A71-V163 HydrophobicContact CB-CG1 3.68Å; A71-V163 HydrophobicContact CB-CG2 3.84Å; K75-V163 HydrophobicContact CB-CG2 4.05Å; K75-V163 HydrophobicContact CD-CG2 4.04Å; V163-C190 CarbonylContact C-O 3.5Å; V163-C190 WeakPolarHBondContact CA-O 3.04Å; V163-C190 HydrophobicContact CG2-CB 4.37Å; V163-V192 HydrophobicContact CG1-CG2 4.32Å; V163-I239 HydrophobicContact CG1-CG2 4.41Å; V163-I239 CarbonylContact O-C 3.52Å; V163-I239 WeakPolarHBondContact O-CA 3.45Å; V163-A240 PolarHBondContact O-N 2.9Å
164V98.9Very high98.3Very high0 Ų024.4 Ų24.40%012%0.118CC..EExtended strand (participates in β ladder)trans-123.9141.3-177.7-53.90000111.5L161 Q166 A184 N189 C190 V191 V192 K241 Y494L161-V164 HydrophobicContact CB-CG1 4.47Å; V164-Q166 HydrophobicContact CG2-CG 4.49Å; V164-A184 HydrophobicContact CG2-CB 4.21Å; V164-N189 HydrophobicContact CG1-CB 4.16Å; V164-N189 HydrophobicContact CG2-CB 4.26Å; V164-C190 PolarHBondContact N-O 3.33Å; V164-V191 HydrophobicContact CG2-CG2 4.06Å; V164-V191 WeakPolarHBondContact O-CA 3.18Å; V164-V192 PolarHBondContact O-N 3.29Å; V164-K241 WeakPolarHBondContact CA-O 3.21Å; V164-K241 HydrophobicContact CB-CB 4.17Å; V164-K241 HydrophobicContact CG1-CB 3.79Å; V164-K241 HydrophobicContact CG1-CG 4.49Å; V164-Y494 HydrophobicContact CB-CE1 4.44Å; V164-Y494 HydrophobicContact CG1-CD1 4.27Å; V164-Y494 HydrophobicContact CG2-CD1 4.31Å; V164-Y494 HydrophobicContact CG2-CE1 3.99Å
165G98.9Very high98.3Very high0 Ų024.2 Ų24.20%012%0.116CC..EExtended strand (participates in β ladder)trans-91135.9173.100000111.3V192 K241 V242 A243G165-V192 WeakPolarHBondContact CA-O 3.26Å; G165-K241 PolarHBondContact N-O 2.94Å; G165-V242 CarbonylContact O-C 3.57Å; G165-V242 WeakPolarHBondContact O-CA 3.37Å; G165-A243 PolarHBondContact O-N 3.38Å
166Q98.8Very high98.4Very high0 Ų021.5 Ų21.50%011%0.106CC..EExtended strand (participates in β ladder)trans-129.2126.4177.8-63.9-176.2-14.900109.8V164 K180 V191 V192 L193 K194 A243 Y494V164-Q166 HydrophobicContact CG2-CG 4.49Å; Q166-K180 HydrophobicContact CB-CB 4.48Å; Q166-K180 HydrophobicContact CB-CD 4.23Å; Q166-K180 VanDerWaalsContact CD-CB 3.43Å; Q166-K180 HydrophobicContact CG-CB 4.16Å; Q166-K180 HydrophobicContact CG-CD 4.47Å; Q166-K180 PolarHBondContact NE2-O 2.93Å; Q166-V191 HydrophobicContact CB-CG1 4.3Å; Q166-V191 HydrophobicContact CG-CG1 4.03Å; Q166-V192 PolarHBondContact N-O 3.08Å; Q166-L193 HydrophobicContact CB-CD1 3.64Å; Q166-L193 CarbonylContact O-C 3.58Å; Q166-L193 WeakPolarHBondContact O-CA 3.24Å; Q166-K194 PolarHBondContact O-N 2.81Å; Q166-A243 WeakPolarHBondContact CA-O 3.41Å; Q166-A243 HydrophobicContact CG-CB 4.38Å; Q166-Y494 PolarHBondContact NE2-OH 2.91Å; Q166-Y494 VanDerWaalsContact NE2-OH 3.08Å
167I98.8Very high98.5Very high11 Ų1118.8 Ų18.86%0.0569%0.093CC..EExtended strand (participates in β ladder)trans-123.4121.2179.3-58.2169.1000107.3K194 V242 A243 F244 T245 I254I167-K194 HydrophobicContact CG1-CB 4.23Å; I167-K194 HydrophobicContact CG2-CD 4.03Å; I167-V242 HydrophobicContact CD1-CG2 4.39Å; I167-A243 PolarHBondContact N-O 3.23Å; I167-F244 HydrophobicContact CB-CD2 3.85Å; I167-F244 HydrophobicContact CG2-CD2 3.69Å; I167-F244 HydrophobicContact CG2-CE2 3.97Å; I167-F244 WeakPolarHBondContact O-CA 3.23Å; I167-T245 PolarHBondContact O-N 2.82Å; I167-I254 HydrophobicContact CD1-CD1 3.8Å
168I98.7Very high98.6Very high4 Ų414 Ų142%0.0217%0.072CC..  trans-117.3152.6-172.158.7170.2000111.9P173 M176 A177 K180 L193 K194 P195 A196 V203I168-P173 WeakPolarHBondContact CD1-O 3.42Å; I168-M176 HydrophobicContact CB-CB 4.23Å; I168-M176 HydrophobicContact CG2-CB 4.19Å; I168-A177 HydrophobicContact CD1-CB 3.74Å; I168-K180 HydrophobicContact CG2-CD 3.8Å; I168-L193 HydrophobicContact CD1-CD1 4.14Å; I168-L193 HydrophobicContact CD1-CD2 4.41Å; I168-L193 HydrophobicContact CG1-CD1 4.18Å; I168-L193 HydrophobicContact CG2-CD1 3.89Å; I168-K194 PolarHBondContact N-O 3.21Å; I168-P195 HydrophobicContact CD1-CB 4.42Å; I168-A196 PolarHBondContact O-N 2.88Å; I168-V203 HydrophobicContact CD1-CG2 3.97Å
169P98.3Very high98.6Very high12 Ų1211.5 Ų11.58%0.0786%0.06CC..  trans-82.9177.4-178.638.5-41.6000110.6N171 M176 T245P169-N171 WeakPolarHBondContact CB-OD1 3.46Å; P169-N171 WeakPolarHBondContact CG-OD1 3.29Å; P169-M176 HydrophobicContact CG-CB 4.32Å; P169-M176 HydrophobicContact CG-CG 3.77Å; P169-T245 HydrophobicContact CB-CG2 4.5Å; P169-T245 WeakPolarHBondContact CD-O 3.25Å; P169-T245 HydrophobicContact CG-CG2 3.69Å
170W98.4Very high98.7Very high47 Ų479 Ų918%0.1785%0.049CC..SBendtrans-91-13.2-178.248.9-102.6000114.2N112 A196 L198 T199 E305 V350 Q354 F410N112-W170 PolarHBondContact ND2-O 3.44Å; W170-A196 HydrophobicContact CB-CB 3.58Å; W170-A196 HydrophobicContact CG-CB 4.42Å; W170-L198 HydrophobicContact CB-CB 3.94Å; W170-L198 HydrophobicContact CD2-CD1 4.48Å; W170-L198 HydrophobicContact CG-CB 4.41Å; W170-L198 HydrophobicContact CG-CD1 4.1Å; W170-T199 WeakPolarHBondContact CA-OG1 3.5Å; W170-T199 HydrophobicContact CB-CG2 4.03Å; W170-T199 WeakPolarHBondContact CB-OG1 3.41Å; W170-T199 VanDerWaalsContact O-CG2 3.24Å; W170-T199 WeakPolarHBondContact O-CG2 3.27Å; W170-T199 PolarHBondContact O-OG1 3.43Å; W170-E305 HydrophobicContact CH2-CB 3.8Å; W170-E305 HydrophobicContact CH2-CG 3.75Å; W170-E305 HydrophobicContact CZ3-CB 3.67Å; W170-E305 HydrophobicContact CZ3-CG 3.88Å; W170-E305 VanDerWaalsContact CZ3-OE2 3.32Å; W170-E305 WeakPolarHBondContact CZ3-OE2 3.37Å; W170-V350 HydrophobicContact CB-CG2 4.5Å; W170-V350 HydrophobicContact CD2-CB 4.38Å; W170-V350 HydrophobicContact CD2-CG1 3.86Å; W170-V350 HydrophobicContact CD2-CG2 4.22Å; W170-V350 HydrophobicContact CE3-CB 3.64Å; W170-V350 HydrophobicContact CE3-CG1 3.5Å; W170-V350 HydrophobicContact CE3-CG2 3.66Å; W170-V350 HydrophobicContact CH2-CB 4.23Å; W170-V350 HydrophobicContact CH2-CG1 3.49Å; W170-V350 VanDerWaalsContact CH2-CG1 3.49Å; W170-V350 HydrophobicContact CZ2-CG1 3.9Å; W170-V350 HydrophobicContact CZ3-CB 3.58Å; W170-V350 HydrophobicContact CZ3-CG1 3.34Å; W170-V350 HydrophobicContact CZ3-CG2 4.15Å; W170-Q354 HydrophobicContact CH2-CG 4.24Å; W170-F410 AromaticContact CH2-CD1 3.31Å; W170-F410 HydrophobicContact CH2-CD1 3.31Å; W170-F410 AromaticContact CH2-CE1 3.24Å; W170-F410 HydrophobicContact CH2-CE1 3.24Å; W170-F410 AromaticContact CZ2-CD1 3.52Å; W170-F410 HydrophobicContact CZ2-CD1 3.52Å; W170-F410 AromaticContact CZ2-CE1 3.44Å; W170-F410 HydrophobicContact CZ2-CE1 3.44Å; W170-F410 VanDerWaalsContact CZ2-CE1 3.44Å; W170-F410 HydrophobicContact CZ3-CD1 4.27Å; W170-F410 AromaticContact CZ3-CE1 3.83Å; W170-F410 HydrophobicContact CZ3-CE1 3.83Å
171N98.5Very high98.7Very high5 Ų57.7 Ų7.73%0.0274%0.04CC..SBendtrans-84.1-25.6-167.867.7-39.1000114.1K114 P169 N302 E305 F410K114-N171 WeakPolarHBondContact CE-O 3.4Å; K114-N171 PolarHBondContact NZ-O 3.11Å; P169-N171 WeakPolarHBondContact CB-OD1 3.46Å; P169-N171 WeakPolarHBondContact CG-OD1 3.29Å; N171-N302 PolarHBondContact O-ND2 3.07Å; N171-E305 VanDerWaalsContact CB-O 3.28Å; N171-E305 WeakPolarHBondContact CB-O 3.41Å; N171-E305 PolarHBondContact ND2-O 3.02Å; N171-F410 HydrophobicContact CB-CE1 3.87Å; N171-F410 HydrophobicContact CB-CZ 4.01Å; N171-F410 VanDerWaalsContact ND2-CZ 3.34Å; N171-F410 WeakPolarHBondContact ND2-CZ 3.44Å
172F98.5Very high98.7Very high10 Ų105.9 Ų5.94%0.0443%0.03CC..SBendtrans-142.763.3173.9-67.7-83.6000109.4K114 D123 L174 L175 M176 F301 N302 V306K114-F172 VanDerWaalsContact NZ-CE1 3.31Å; D123-F172 WeakPolarHBondContact OD1-CD1 3.37Å; D123-F172 WeakPolarHBondContact OD2-CD1 3.26Å; F172-L174 PolarHBondContact O-N 3.42Å; F172-L175 HydrophobicContact CB-CB 4.18Å; F172-L175 HydrophobicContact CD1-CD2 4.31Å; F172-L175 PolarHBondContact O-N 3.21Å; F172-M176 HydrophobicContact CB-CE 4.14Å; F172-M176 HydrophobicContact CB-CG 3.98Å; F172-M176 VanDerWaalsContact O-CB 3.31Å; F172-M176 WeakPolarHBondContact O-CB 3.2Å; F172-M176 VanDerWaalsContact O-CG 3.24Å; F172-M176 WeakPolarHBondContact O-CG 3.48Å; F172-M176 PolarHBondContact O-N 3.17Å; F172-F301 HydrophobicContact CE1-CE1 4.12Å; F172-F301 HydrophobicContact CE1-CZ 4.33Å; F172-F301 AromaticContact CZ-CE1 3.86Å; F172-F301 HydrophobicContact CZ-CE1 3.86Å; F172-F301 HydrophobicContact CZ-CZ 4.5Å; F172-N302 HydrophobicContact CE1-CB 4.5Å; F172-N302 HydrophobicContact CZ-CB 3.98Å; F172-V306 HydrophobicContact CE2-CB 4.29Å; F172-V306 HydrophobicContact CE2-CG1 3.98Å; F172-V306 HydrophobicContact CE2-CG2 3.95Å; F172-V306 HydrophobicContact CZ-CG1 4.26Å; F172-V306 HydrophobicContact CZ-CG2 3.84Å
173P98.7Very high98.7Very high0 Ų05.3 Ų5.30%03%0.025CC..Hα-helixtrans-63.4-48.9-162.824-31.2000112.6E108 I168 A177 T199E108-P173 VanDerWaalsContact OE1-CG 3.31Å; E108-P173 WeakPolarHBondContact OE1-CG 3.23Å; E108-P173 WeakPolarHBondContact OE2-CD 2.88Å; E108-P173 WeakPolarHBondContact OE2-CG 3.32Å; I168-P173 WeakPolarHBondContact CD1-O 3.42Å; P173-A177 WeakPolarHBondContact O-CB 3.39Å; P173-A177 PolarHBondContact O-N 3.41Å; P173-T199 WeakPolarHBondContact CB-O 3.21Å; P173-T199 WeakPolarHBondContact CB-OG1 3.41Å; P173-T199 WeakPolarHBondContact CG-OG1 3.44Å
174L98.7Very high98.7Very high0 Ų05.1 Ų5.10%02%0.023CC..Hα-helixtrans-67.6-41.2178.2-174.168000112.2M97 L104 E108 V124 A127 F172 A177 S178 L206M97-L174 HydrophobicContact CE-CD1 4.38Å; M97-L174 HydrophobicContact CE-CD2 4.21Å; M97-L174 HydrophobicContact CE-CG 4.33Å; L104-L174 HydrophobicContact CB-CD2 4.15Å; L104-L174 HydrophobicContact CD1-CD2 4.2Å; L104-L174 HydrophobicContact CD2-CD2 4.27Å; L104-L174 HydrophobicContact CG-CD2 4.45Å; E108-L174 HydrophobicContact CG-CB 4.47Å; E108-L174 WeakPolarHBondContact OE1-CA 3.44Å; E108-L174 WeakPolarHBondContact OE1-CB 3.31Å; E108-L174 PolarHBondContact OE1-N 3.41Å; V124-L174 HydrophobicContact CG1-CD2 4.47Å; V124-L174 HydrophobicContact CG2-CD2 4.01Å; A127-L174 HydrophobicContact CB-CD2 4.44Å; A127-L174 HydrophobicContact CB-CG 4.24Å; F172-L174 PolarHBondContact O-N 3.42Å; L174-A177 PolarHBondContact O-N 3.49Å; L174-S178 WeakPolarHBondContact O-CB 3.34Å; L174-S178 PolarHBondContact O-N 3.13Å; L174-S178 PolarHBondContact O-OG 2.96Å; L174-L206 HydrophobicContact CD1-CB 3.89Å; L174-L206 HydrophobicContact CD1-CD1 4.33Å; L174-L206 HydrophobicContact CD1-CD2 3.71Å; L174-L206 HydrophobicContact CD1-CG 4.17Å
175L98.7Very high98.7Very high3 Ų35.3 Ų5.32%0.0162%0.024CC..Hα-helixtrans-67.2-45.3-178.7-179.761.2000111.4L126 A127 F172 S178 W179L126-L175 HydrophobicContact CB-CD1 3.54Å; L126-L175 HydrophobicContact CB-CD2 4.34Å; L126-L175 HydrophobicContact CD1-CD2 4.19Å; A127-L175 HydrophobicContact CB-CD1 4.18Å; F172-L175 HydrophobicContact CB-CB 4.18Å; F172-L175 HydrophobicContact CD1-CD2 4.31Å; F172-L175 PolarHBondContact O-N 3.21Å; L175-S178 WeakPolarHBondContact O-CB 3.08Å; L175-S178 PolarHBondContact O-N 3.3Å; L175-S178 VanDerWaalsContact O-N 3.12Å; L175-W179 VanDerWaalsContact CD1-NE1 3.27Å; L175-W179 HydrophobicContact CD2-CZ2 4.25Å; L175-W179 HydrophobicContact CG-CZ2 4.39Å; L175-W179 PolarHBondContact O-N 3.38Å
176M98.7Very high98.7Very high8 Ų85.3 Ų5.34%0.0392%0.024CC..Hα-helixtrans-68.8-34.4176-64.3-57.797.500112.1I168 P169 F172 S178 W179 K180 T245I168-M176 HydrophobicContact CB-CB 4.23Å; I168-M176 HydrophobicContact CG2-CB 4.19Å; P169-M176 HydrophobicContact CG-CB 4.32Å; P169-M176 HydrophobicContact CG-CG 3.77Å; F172-M176 HydrophobicContact CB-CE 4.14Å; F172-M176 HydrophobicContact CB-CG 3.98Å; F172-M176 VanDerWaalsContact O-CB 3.31Å; F172-M176 WeakPolarHBondContact O-CB 3.2Å; F172-M176 VanDerWaalsContact O-CG 3.24Å; F172-M176 WeakPolarHBondContact O-CG 3.48Å; F172-M176 PolarHBondContact O-N 3.17Å; M176-S178 VanDerWaalsContact C-N 3.26Å; M176-S178 PolarHBondContact O-N 3.32Å; M176-W179 HydrophobicContact CE-CD2 3.35Å; M176-W179 HydrophobicContact CE-CE3 3.27Å; M176-W179 HydrophobicContact CE-CG 4.06Å; M176-W179 HydrophobicContact CE-CH2 3.68Å; M176-W179 HydrophobicContact CE-CZ2 3.71Å; M176-W179 HydrophobicContact CE-CZ3 3.46Å; M176-W179 VanDerWaalsContact CE-CZ3 3.46Å; M176-W179 PolarHBondContact O-N 2.96Å; M176-W179 HydrophobicContact SD-CD2 4.13Å; M176-W179 HydrophobicContact SD-CE3 3.58Å; M176-W179 VanDerWaalsContact SD-CE3 3.58Å; M176-W179 HydrophobicContact SD-CZ3 3.88Å; M176-K180 WeakPolarHBondContact O-CG 3.12Å; M176-K180 PolarHBondContact O-N 3.02Å; M176-T245 HydrophobicContact SD-CG2 4.2Å
177A98.8Very high98.7Very high0 Ų05.3 Ų5.30%02%0.024CC..Hα-helixtrans-57.7-45.116900000110.1I168 P173 L174 K180 M181 L193 V203I168-A177 HydrophobicContact CD1-CB 3.74Å; P173-A177 WeakPolarHBondContact O-CB 3.39Å; P173-A177 PolarHBondContact O-N 3.41Å; L174-A177 PolarHBondContact O-N 3.49Å; A177-K180 PolarHBondContact O-N 3.31Å; A177-M181 HydrophobicContact CB-CE 3.69Å; A177-M181 VanDerWaalsContact O-CB 3.26Å; A177-M181 WeakPolarHBondContact O-CB 3.47Å; A177-M181 VanDerWaalsContact O-CG 3.29Å; A177-M181 WeakPolarHBondContact O-CG 3.25Å; A177-M181 PolarHBondContact O-N 3.39Å; A177-L193 HydrophobicContact CB-CD2 4.1Å; A177-V203 HydrophobicContact CB-CG2 3.95Å
178S98.8Very high98.7Very high0 Ų04.8 Ų4.80%02%0.022CC..Hα-helixtrans-69-40.8-178.8-55.50000112.6A127 F131 L174 L175 M176 K180 A182A127-S178 WeakPolarHBondContact CB-OG 3.49Å; F131-S178 WeakPolarHBondContact CE2-OG 3.41Å; L174-S178 WeakPolarHBondContact O-CB 3.34Å; L174-S178 PolarHBondContact O-N 3.13Å; L174-S178 PolarHBondContact O-OG 2.96Å; L175-S178 WeakPolarHBondContact O-CB 3.08Å; L175-S178 PolarHBondContact O-N 3.3Å; L175-S178 VanDerWaalsContact O-N 3.12Å; M176-S178 VanDerWaalsContact C-N 3.26Å; M176-S178 PolarHBondContact O-N 3.32Å; S178-K180 PolarHBondContact O-N 3.15Å; S178-A182 WeakPolarHBondContact O-CB 3.24Å; S178-A182 PolarHBondContact O-N 3.19Å
179W98.4Very high98.7Very high5 Ų54.6 Ų4.62%0.0192%0.021CC..Hα-helixtrans-56.8-31.9175-75.813.5000112.6H130 L175 M176 P183 Y468 F474 E485 T486H130-W179 AromaticContact CD2-CD1 3.45Å; H130-W179 VanDerWaalsContact CD2-CD1 3.45Å; H130-W179 AromaticContact CD2-NE1 3.73Å; H130-W179 AromaticContact CE1-CD1 3.71Å; H130-W179 AromaticContact CE1-NE1 3.18Å; H130-W179 PolarHBondContact CE1-NE1 3.17Å; H130-W179 AromaticContact CG-CD1 3.63Å; H130-W179 AromaticContact CG-NE1 3.91Å; H130-W179 AromaticContact ND1-CD1 3.76Å; H130-W179 AromaticContact ND1-NE1 3.57Å; H130-W179 AromaticContact NE2-CD1 3.52Å; H130-W179 AromaticContact NE2-NE1 3.28Å; H130-W179 PolarHBondContact NE2-NE1 3.34Å; L175-W179 VanDerWaalsContact CD1-NE1 3.27Å; L175-W179 HydrophobicContact CD2-CZ2 4.25Å; L175-W179 HydrophobicContact CG-CZ2 4.39Å; L175-W179 PolarHBondContact O-N 3.38Å; M176-W179 HydrophobicContact CE-CD2 3.35Å; M176-W179 HydrophobicContact CE-CE3 3.27Å; M176-W179 HydrophobicContact CE-CG 4.06Å; M176-W179 HydrophobicContact CE-CH2 3.68Å; M176-W179 HydrophobicContact CE-CZ2 3.71Å; M176-W179 HydrophobicContact CE-CZ3 3.46Å; M176-W179 VanDerWaalsContact CE-CZ3 3.46Å; M176-W179 PolarHBondContact O-N 2.96Å; M176-W179 HydrophobicContact SD-CD2 4.13Å; M176-W179 HydrophobicContact SD-CE3 3.58Å; M176-W179 VanDerWaalsContact SD-CE3 3.58Å; M176-W179 HydrophobicContact SD-CZ3 3.88Å; W179-P183 WeakPolarHBondContact O-CD 3Å; W179-P183 WeakPolarHBondContact O-CG 3.06Å; W179-Y468 AromaticContact CH2-CD1 3.99Å; W179-Y468 HydrophobicContact CH2-CD1 3.99Å; W179-Y468 HydrophobicContact CH2-CG 4.45Å; W179-Y468 HydrophobicContact CZ2-CD1 4.31Å; W179-Y468 HydrophobicContact CZ2-CG 4.33Å; W179-F474 HydrophobicContact CE3-CD1 4.46Å; W179-F474 HydrophobicContact CH2-CD1 4.1Å; W179-F474 HydrophobicContact CH2-CD2 4.26Å; W179-F474 HydrophobicContact CH2-CE1 4.31Å; W179-F474 HydrophobicContact CH2-CE2 4.46Å; W179-F474 HydrophobicContact CH2-CG 4.07Å; W179-F474 HydrophobicContact CH2-CZ 4.47Å; W179-F474 HydrophobicContact CZ3-CB 4.46Å; W179-F474 AromaticContact CZ3-CD1 3.52Å; W179-F474 HydrophobicContact CZ3-CD1 3.52Å; W179-F474 HydrophobicContact CZ3-CD2 4.49Å; W179-F474 AromaticContact CZ3-CE1 3.77Å; W179-F474 HydrophobicContact CZ3-CE1 3.77Å; W179-F474 AromaticContact CZ3-CG 3.91Å; W179-F474 HydrophobicContact CZ3-CG 3.91Å; W179-F474 HydrophobicContact CZ3-CZ 4.35Å; W179-E485 HydrophobicContact CE3-CB 4.17Å; W179-E485 VanDerWaalsContact CE3-OE2 3.3Å; W179-T486 HydrophobicContact CD2-CG2 3.38Å; W179-T486 HydrophobicContact CE3-CG2 3.72Å; W179-T486 HydrophobicContact CG-CG2 3.94Å; W179-T486 HydrophobicContact CH2-CG2 3.86Å; W179-T486 HydrophobicContact CZ2-CG2 3.54Å; W179-T486 HydrophobicContact CZ3-CG2 3.94Å
180K98.6Very high98.7Very high0 Ų04 Ų40%02%0.017CC..Hα-helixtrans-94-45.8179.5-61.3-172.9-171.3-58.30112.9Q166 I168 M176 A177 S178 A184 A243 T245 E485Q166-K180 HydrophobicContact CB-CB 4.48Å; Q166-K180 HydrophobicContact CB-CD 4.23Å; Q166-K180 VanDerWaalsContact CD-CB 3.43Å; Q166-K180 HydrophobicContact CG-CB 4.16Å; Q166-K180 HydrophobicContact CG-CD 4.47Å; Q166-K180 PolarHBondContact NE2-O 2.93Å; I168-K180 HydrophobicContact CG2-CD 3.8Å; M176-K180 WeakPolarHBondContact O-CG 3.12Å; M176-K180 PolarHBondContact O-N 3.02Å; A177-K180 PolarHBondContact O-N 3.31Å; S178-K180 PolarHBondContact O-N 3.15Å; K180-A184 WeakPolarHBondContact O-CB 3.41Å; K180-A184 PolarHBondContact O-N 2.73Å; K180-A243 HydrophobicContact CD-CB 4.04Å; K180-T245 WeakPolarHBondContact CE-OG1 3.07Å; K180-T245 PolarHBondContact NZ-OG1 3.28Å; K180-E485 IonicContact NZ-OE1 2.64Å; K180-E485 PolarHBondContact NZ-OE1 3.15Å; K180-E485 IonicContact NZ-OE2 2.87Å
181M98.8Very high98.8Very high3 Ų31.8 Ų1.82%0.0151%0.009CC..Hα-helixtrans-67.7-45.7-176.5-73.4-170.6-62.200111.9F131 A177 A184 L185 V191 L193 L206 V219F131-M181 HydrophobicContact CZ-CB 4.33Å; F131-M181 HydrophobicContact CZ-CE 4.29Å; A177-M181 HydrophobicContact CB-CE 3.69Å; A177-M181 VanDerWaalsContact O-CB 3.26Å; A177-M181 WeakPolarHBondContact O-CB 3.47Å; A177-M181 VanDerWaalsContact O-CG 3.29Å; A177-M181 WeakPolarHBondContact O-CG 3.25Å; A177-M181 PolarHBondContact O-N 3.39Å; M181-A184 PolarHBondContact O-N 2.98Å; M181-L185 HydrophobicContact CB-CD1 4.35Å; M181-L185 WeakPolarHBondContact O-CB 3.36Å; M181-L185 VanDerWaalsContact O-CG 3.23Å; M181-L185 WeakPolarHBondContact O-CG 3.13Å; M181-L185 PolarHBondContact O-N 2.74Å; M181-V191 HydrophobicContact CG-CG1 4.38Å; M181-L193 HydrophobicContact CE-CD2 4.3Å; M181-L193 HydrophobicContact SD-CD2 3.87Å; M181-L206 HydrophobicContact CE-CD2 3.66Å; M181-V219 HydrophobicContact SD-CG1 4.04Å
182A98.9Very high98.8Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-55.9-53.6-175.200000113.2F131 F134 S178 A186F131-A182 HydrophobicContact CD1-CB 3.74Å; F131-A182 HydrophobicContact CE1-CB 3.95Å; F131-A182 HydrophobicContact CG-CB 4.17Å; F134-A182 HydrophobicContact CB-CB 4.2Å; F134-A182 HydrophobicContact CD2-CB 3.88Å; F134-A182 HydrophobicContact CG-CB 4.4Å; S178-A182 WeakPolarHBondContact O-CB 3.24Å; S178-A182 PolarHBondContact O-N 3.19Å; A182-A186 VanDerWaalsContact O-CB 3.25Å; A182-A186 WeakPolarHBondContact O-CB 3.49Å; A182-A186 PolarHBondContact O-N 2.86Å
183P98.8Very high98.8Very high0 Ų01.1 Ų1.10%01%0.005CC..Hα-helixtrans-67.2-36.4176.523.7-32.4000113.5F134 W179 A186 A187 M490 Y494F134-P183 HydrophobicContact CD1-CB 3.77Å; F134-P183 HydrophobicContact CD2-CB 4.14Å; F134-P183 HydrophobicContact CD2-CG 4.28Å; F134-P183 HydrophobicContact CE1-CB 3.61Å; F134-P183 HydrophobicContact CE1-CG 4.43Å; F134-P183 HydrophobicContact CE2-CB 3.98Å; F134-P183 HydrophobicContact CE2-CG 3.96Å; F134-P183 HydrophobicContact CG-CB 4.04Å; F134-P183 HydrophobicContact CZ-CB 3.72Å; F134-P183 HydrophobicContact CZ-CG 4.05Å; W179-P183 WeakPolarHBondContact O-CD 3Å; W179-P183 WeakPolarHBondContact O-CG 3.06Å; P183-A186 PolarHBondContact O-N 3.32Å; P183-A187 VanDerWaalsContact O-CB 3.23Å; P183-A187 WeakPolarHBondContact O-CB 3.47Å; P183-A187 PolarHBondContact O-N 2.73Å; P183-M490 HydrophobicContact CB-CB 4.19Å; P183-M490 HydrophobicContact CB-CG 3.85Å; P183-M490 HydrophobicContact CG-CB 4.47Å; P183-M490 HydrophobicContact CG-CG 3.77Å; P183-Y494 HydrophobicContact CB-CD2 3.86Å; P183-Y494 HydrophobicContact CB-CE2 3.97Å; P183-Y494 HydrophobicContact CG-CD2 4.13Å; P183-Y494 HydrophobicContact CG-CE2 3.7Å
184A98.9Very high98.8Very high0 Ų01.7 Ų1.70%01%0.008CC..Hα-helixtrans-62.9-47179.500000111.7V164 K180 M181 A187 G188 N189 V191 Y494V164-A184 HydrophobicContact CG2-CB 4.21Å; K180-A184 WeakPolarHBondContact O-CB 3.41Å; K180-A184 PolarHBondContact O-N 2.73Å; M181-A184 PolarHBondContact O-N 2.98Å; A184-A187 PolarHBondContact O-N 2.92Å; A184-G188 PolarHBondContact O-N 3.46Å; A184-N189 HydrophobicContact CB-CB 4.43Å; A184-N189 WeakPolarHBondContact O-CB 3.22Å; A184-N189 PolarHBondContact O-N 2.94Å; A184-N189 PolarHBondContact O-ND2 3.32Å; A184-N189 VanDerWaalsContact O-ND2 3.11Å; A184-V191 HydrophobicContact CB-CG2 3.88Å; A184-Y494 HydrophobicContact CB-CD1 3.79Å; A184-Y494 HydrophobicContact CB-CD2 4.29Å; A184-Y494 HydrophobicContact CB-CE1 3.7Å; A184-Y494 HydrophobicContact CB-CE2 4.17Å; A184-Y494 HydrophobicContact CB-CG 4.1Å
185L99Very high98.8Very high3 Ų31.7 Ų1.72%0.0161%0.008CC..Hα-helixtrans-66.3-43177.1-66.9175.9000111.4W78 L90 F131 M181 A187 G188 V191 L214 V218 V219W78-L185 HydrophobicContact CZ2-CB 4.48Å; W78-L185 HydrophobicContact CZ2-CD2 4.41Å; L90-L185 HydrophobicContact CD2-CB 3.78Å; L90-L185 HydrophobicContact CD2-CD1 4.1Å; F131-L185 HydrophobicContact CE1-CD1 4.42Å; M181-L185 HydrophobicContact CB-CD1 4.35Å; M181-L185 WeakPolarHBondContact O-CB 3.36Å; M181-L185 VanDerWaalsContact O-CG 3.23Å; M181-L185 WeakPolarHBondContact O-CG 3.13Å; M181-L185 PolarHBondContact O-N 2.74Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-A187 PolarHBondContact O-N 3.12Å; L185-G188 PolarHBondContact O-N 3.44Å; L185-V191 HydrophobicContact CD2-CG2 4.47Å; L185-L214 HydrophobicContact CD1-CD2 4.37Å; L185-V218 HydrophobicContact CD2-CG1 3.44Å; L185-V218 VanDerWaalsContact CD2-CG1 3.44Å; L185-V219 HydrophobicContact CD1-CG2 4.05Å; L185-V219 HydrophobicContact CD2-CG2 3.8Å; L185-V219 HydrophobicContact CG-CG2 4.43Å
186A98.9Very high98.8Very high0 Ų02 Ų20%01%0.011CC..Hα-helixtrans-57.2-4617500000111.4R86 L90 F134 I138 A182 P183 G188 L491R86-A186 VanDerWaalsContact CZ-O 3.3Å; R86-A186 PolarHBondContact NE-O 3.07Å; R86-A186 PolarHBondContact NH2-O 2.84Å; L90-A186 HydrophobicContact CD1-CB 3.64Å; F134-A186 HydrophobicContact CB-CB 4.07Å; I138-A186 HydrophobicContact CB-CB 4.13Å; I138-A186 WeakPolarHBondContact CD1-O 3.42Å; I138-A186 WeakPolarHBondContact CG1-O 3.48Å; I138-A186 HydrophobicContact CG2-CB 4.32Å; A182-A186 VanDerWaalsContact O-CB 3.25Å; A182-A186 WeakPolarHBondContact O-CB 3.49Å; A182-A186 PolarHBondContact O-N 2.86Å; P183-A186 PolarHBondContact O-N 3.32Å; A186-G188 PolarHBondContact O-N 3.5Å; A186-L491 HydrophobicContact CB-CD2 3.98Å
187A98.7Very high98.7Very high0 Ų06.7 Ų6.70%03%0.028CC..Hα-helixtrans-67.2-14.1177.700000114.2P160 P183 A184 L185 N189 L491 Q495P160-A187 WeakPolarHBondContact CB-O 3.41Å; P183-A187 VanDerWaalsContact O-CB 3.23Å; P183-A187 WeakPolarHBondContact O-CB 3.47Å; P183-A187 PolarHBondContact O-N 2.73Å; A184-A187 PolarHBondContact O-N 2.92Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-A187 PolarHBondContact O-N 3.12Å; A187-N189 VanDerWaalsContact CB-ND2 3.32Å; A187-N189 WeakPolarHBondContact CB-ND2 3.39Å; A187-L491 HydrophobicContact CB-CD2 4.37Å; A187-Q495 HydrophobicContact CB-CG 3.64Å
188G98.8Very high98.7Very high1 Ų19.7 Ų9.71%0.014%0.044CC..THydrogen-bonded Turntrans96.422.7178.300000114.7W78 P160 A184 L185 A186W78-G188 VanDerWaalsContact CD1-C 3.44Å; P160-G188 WeakPolarHBondContact CB-O 3.36Å; A184-G188 PolarHBondContact O-N 3.46Å; L185-G188 PolarHBondContact O-N 3.44Å; A186-G188 PolarHBondContact O-N 3.5Å
189N98.9Very high98.7Very high0 Ų09.7 Ų9.70%04%0.044CC..  trans-95.9150.5-179.9-58.1-90.5000111.7W78 L161 G162 V164 A184 A187 Y494W78-N189 VanDerWaalsContact CD1-O 3.31Å; W78-N189 PolarHBondContact NE1-O 3.41Å; L161-N189 WeakPolarHBondContact CA-OD1 3.14Å; L161-N189 PolarHBondContact N-OD1 3.36Å; G162-N189 PolarHBondContact N-OD1 2.79Å; G162-N189 CarbonylContact O-C 3.56Å; G162-N189 WeakPolarHBondContact O-CA 3.41Å; G162-N189 VanDerWaalsContact O-CB 3.31Å; G162-N189 WeakPolarHBondContact O-CB 3.31Å; V164-N189 HydrophobicContact CG1-CB 4.16Å; V164-N189 HydrophobicContact CG2-CB 4.26Å; A184-N189 HydrophobicContact CB-CB 4.43Å; A184-N189 WeakPolarHBondContact O-CB 3.22Å; A184-N189 PolarHBondContact O-N 2.94Å; A184-N189 PolarHBondContact O-ND2 3.32Å; A184-N189 VanDerWaalsContact O-ND2 3.11Å; A187-N189 VanDerWaalsContact CB-ND2 3.32Å; A187-N189 WeakPolarHBondContact CB-ND2 3.39Å; N189-Y494 PolarHBondContact ND2-O 3.21Å; N189-Y494 PolarHBondContact OD1-O 3.25Å
190C99Very high98.7Very high0 Ų09.5 Ų9.50%04%0.043CC..EExtended strand (participates in β ladder)trans-90.7146.2165.2-61.70000110.2A71 K75 G162 V163 V164 V218A71-C190 HydrophobicContact CB-CB 3.95Å; K75-C190 VanDerWaalsContact CA-SG 3.59Å; G162-C190 PolarHBondContact O-N 2.84Å; V163-C190 CarbonylContact C-O 3.5Å; V163-C190 WeakPolarHBondContact CA-O 3.04Å; V163-C190 HydrophobicContact CG2-CB 4.37Å; V164-C190 PolarHBondContact N-O 3.33Å; C190-V218 CarbonylContact C-O 3.51Å; C190-V218 VanDerWaalsContact CA-O 3.27Å; C190-V218 WeakPolarHBondContact CA-O 3.43Å
191V99Very high98.7Very high0 Ų09.5 Ų9.50%04%0.043CC..EExtended strand (participates in β ladder)trans-117.1133.4-171.51760000110.7V164 Q166 M181 A184 L185 L193 V218 N220V164-V191 HydrophobicContact CG2-CG2 4.06Å; V164-V191 WeakPolarHBondContact O-CA 3.18Å; Q166-V191 HydrophobicContact CB-CG1 4.3Å; Q166-V191 HydrophobicContact CG-CG1 4.03Å; M181-V191 HydrophobicContact CG-CG1 4.38Å; A184-V191 HydrophobicContact CB-CG2 3.88Å; L185-V191 HydrophobicContact CD2-CG2 4.47Å; V191-L193 HydrophobicContact CG1-CB 3.97Å; V191-V218 PolarHBondContact N-O 3.16Å; V191-N220 PolarHBondContact O-N 3.31Å; V191-N220 PolarHBondContact O-ND2 3.4Å
192V99Very high98.7Very high0 Ų09.3 Ų9.30%04%0.043CC..EExtended strand (participates in β ladder)trans-108.6104.9157.7-178.20000107.4I64 A67 L68 A71 V163 V164 G165 Q166 N220 V222 L233I64-V192 HydrophobicContact CD1-CG1 4.34Å; A67-V192 HydrophobicContact CB-CG1 3.98Å; A67-V192 HydrophobicContact CB-CG2 4.16Å; L68-V192 HydrophobicContact CD2-CG2 4Å; L68-V192 HydrophobicContact CG-CG2 4.47Å; A71-V192 HydrophobicContact CB-CG2 4.45Å; V163-V192 HydrophobicContact CG1-CG2 4.32Å; V164-V192 PolarHBondContact O-N 3.29Å; G165-V192 WeakPolarHBondContact CA-O 3.26Å; Q166-V192 PolarHBondContact N-O 3.08Å; V192-N220 CarbonylContact C-O 3.41Å; V192-N220 WeakPolarHBondContact CA-O 3.45Å; V192-V222 HydrophobicContact CG1-CG2 4.38Å; V192-L233 HydrophobicContact CB-CD1 4.06Å; V192-L233 HydrophobicContact CB-CD2 4.45Å; V192-L233 HydrophobicContact CG1-CD1 3.93Å; V192-L233 HydrophobicContact CG1-CD2 4.1Å
193L98.9Very high98.7Very high0 Ų09.3 Ų9.30%04%0.043CC..EExtended strand (participates in β ladder)trans-97133.4-177.5-179.167.5000110.3Q166 I168 A177 M181 V191 V203 N220 V221 V222Q166-L193 HydrophobicContact CB-CD1 3.64Å; Q166-L193 CarbonylContact O-C 3.58Å; Q166-L193 WeakPolarHBondContact O-CA 3.24Å; I168-L193 HydrophobicContact CD1-CD1 4.14Å; I168-L193 HydrophobicContact CD1-CD2 4.41Å; I168-L193 HydrophobicContact CG1-CD1 4.18Å; I168-L193 HydrophobicContact CG2-CD1 3.89Å; A177-L193 HydrophobicContact CB-CD2 4.1Å; M181-L193 HydrophobicContact CE-CD2 4.3Å; M181-L193 HydrophobicContact SD-CD2 3.87Å; V191-L193 HydrophobicContact CG1-CB 3.97Å; L193-V203 HydrophobicContact CD2-CG1 3.66Å; L193-N220 PolarHBondContact N-O 2.8Å; L193-V221 HydrophobicContact CB-CG2 4.42Å; L193-V221 HydrophobicContact CD2-CG2 4.34Å; L193-V221 WeakPolarHBondContact O-CA 3.42Å; L193-V222 PolarHBondContact O-N 3.09Å
194K98.8Very high98.7Very high12 Ų129.3 Ų9.35%0.0524%0.043CC..EExtended strand (participates in β ladder)trans-117.2105173.5-172.2-95.2166.7-157.30109.3Q166 I167 I168 G224 I229Q166-K194 PolarHBondContact O-N 2.81Å; I167-K194 HydrophobicContact CG1-CB 4.23Å; I167-K194 HydrophobicContact CG2-CD 4.03Å; I168-K194 PolarHBondContact N-O 3.21Å; K194-G224 WeakPolarHBondContact CE-O 3.31Å; K194-G224 PolarHBondContact NZ-O 3.41Å; K194-I229 HydrophobicContact CD-CD1 4.47Å; K194-I229 HydrophobicContact CG-CD1 3.57Å; K194-I229 HydrophobicContact CG-CG1 4Å
195P98.8Very high98.6Very high1 Ų19.7 Ų9.71%0.0065%0.045CC..  trans-66161.3172.3-21.834.9000112.9I168 P200 V203 V221I168-P195 HydrophobicContact CD1-CB 4.42Å; P195-P200 HydrophobicContact CB-CB 4.35Å; P195-V203 HydrophobicContact CG-CB 4.29Å; P195-V203 HydrophobicContact CG-CG1 4.01Å; P195-V221 HydrophobicContact CG-CG1 3.59Å
196A98.4Very high98.6Very high9 Ų99.6 Ų9.67%0.0744%0.044CC..  trans-71.2145.616600000110.4I168 W170 L198 T199I168-A196 PolarHBondContact O-N 2.88Å; W170-A196 HydrophobicContact CB-CB 3.58Å; W170-A196 HydrophobicContact CG-CB 4.42Å; A196-L198 PolarHBondContact O-N 3.27Å; A196-T199 PolarHBondContact O-N 2.85Å
197R97.4Very high98.6Very high107 Ų1079.9 Ų9.940%0.4045%0.045SC..THydrogen-bonded Turntrans-66.3-27.1-178.3-76.2-174.468-160.83.6113.6Y42 G224Y42-R197 HydrophobicContact CE1-CG 4.29Å; Y42-R197 HydrophobicContact CE2-CB 4.09Å; Y42-R197 HydrophobicContact CE2-CG 4.35Å; Y42-R197 VanDerWaalsContact CE2-O 3.32Å; Y42-R197 WeakPolarHBondContact CE2-O 3.43Å; Y42-R197 VanDerWaalsContact CG-NH2 3.31Å; R197-G224 VanDerWaalsContact CG-O 3.31Å; R197-G224 WeakPolarHBondContact CG-O 3.45Å
198L98.1Very high98.6Very high63 Ų6313.3 Ų13.333%0.336%0.061SC..THydrogen-bonded Turntrans-77.6-25.2-176.3-66.3176.8000112.5N44 W170 A196 V350N44-L198 PolarHBondContact OD1-O 2.63Å; W170-L198 HydrophobicContact CB-CB 3.94Å; W170-L198 HydrophobicContact CD2-CD1 4.48Å; W170-L198 HydrophobicContact CG-CB 4.41Å; W170-L198 HydrophobicContact CG-CD1 4.1Å; A196-L198 PolarHBondContact O-N 3.27Å; L198-V350 HydrophobicContact CB-CG2 3.99Å; L198-V350 HydrophobicContact CD1-CG1 3.92Å; L198-V350 HydrophobicContact CD1-CG2 4.29Å
199T98.6Very high98.6Very high0 Ų014.1 Ų14.10%07%0.065CC..SBendtrans-142.859.8-176.165.60000113.4D111 N112 W170 P173 A196 V350D111-T199 WeakPolarHBondContact OD2-CA 3.3Å; N112-T199 HydrophobicContact CB-CG2 3.87Å; W170-T199 WeakPolarHBondContact CA-OG1 3.5Å; W170-T199 HydrophobicContact CB-CG2 4.03Å; W170-T199 WeakPolarHBondContact CB-OG1 3.41Å; W170-T199 VanDerWaalsContact O-CG2 3.24Å; W170-T199 WeakPolarHBondContact O-CG2 3.27Å; W170-T199 PolarHBondContact O-OG1 3.43Å; P173-T199 WeakPolarHBondContact CB-O 3.21Å; P173-T199 WeakPolarHBondContact CB-OG1 3.41Å; P173-T199 WeakPolarHBondContact CG-OG1 3.44Å; A196-T199 PolarHBondContact O-N 2.85Å; T199-V350 HydrophobicContact CG2-CG2 3.67Å
200P98.5Very high98.6Very high0 Ų014.2 Ų14.20%07%0.066CC..  trans-81.4-17.9-177.535.1-36.9000113.6V56 D111 P195 S202 V203 L204V56-P200 HydrophobicContact CB-CG 4.45Å; V56-P200 HydrophobicContact CG1-CB 4.32Å; V56-P200 HydrophobicContact CG1-CG 4.25Å; V56-P200 HydrophobicContact CG2-CG 3.82Å; D111-P200 WeakPolarHBondContact OD2-CD 3.43Å; D111-P200 VanDerWaalsContact OD2-N 3.12Å; P195-P200 HydrophobicContact CB-CB 4.35Å; P200-S202 PolarHBondContact O-N 2.7Å; P200-V203 PolarHBondContact O-N 3.02Å; P200-L204 HydrophobicContact CB-CD1 4.03Å; P200-L204 HydrophobicContact CG-CD1 4.48Å; P200-L204 WeakPolarHBondContact O-CG 3.3Å; P200-L204 PolarHBondContact O-N 3.05Å
201L98.3Very high98.6Very high0 Ų014.6 Ų14.60%07%0.07CC..Hα-helixtrans-65.6-45.9-160.2-177.361.6000113.1L21 Y25 A107 D111 V203 L204 L205L21-L201 HydrophobicContact CD2-CD1 4Å; L21-L201 HydrophobicContact CD2-CD2 3.88Å; L21-L201 HydrophobicContact CD2-CG 4.5Å; Y25-L201 HydrophobicContact CD2-CD1 4.37Å; Y25-L201 HydrophobicContact CE2-CD1 3.71Å; A107-L201 HydrophobicContact CB-CD2 4.12Å; A107-L201 HydrophobicContact CB-CG 4.26Å; D111-L201 HydrophobicContact CB-CB 4.11Å; D111-L201 HydrophobicContact CB-CD2 4.46Å; D111-L201 WeakPolarHBondContact OD2-CB 3.4Å; D111-L201 PolarHBondContact OD2-N 3.31Å; L201-V203 VanDerWaalsContact C-N 3.28Å; L201-V203 PolarHBondContact O-N 3.49Å; L201-L204 WeakPolarHBondContact O-CB 3.36Å; L201-L204 PolarHBondContact O-N 3.2Å; L201-L204 VanDerWaalsContact O-N 3.16Å; L201-L205 HydrophobicContact CD1-CD1 4.37Å; L201-L205 HydrophobicContact CD1-CG 4.27Å; L201-L205 HydrophobicContact CG-CD1 4.2Å; L201-L205 HydrophobicContact CG-CG 4.46Å; L201-L205 WeakPolarHBondContact O-CG 3.05Å; L201-L205 PolarHBondContact O-N 3.3Å
202S98.3Very high98.5Very high0 Ų019.8 Ų19.80%010%0.098CC..Hα-helixtrans-64.2-34.2-176.564.80000112.4E108 P200 L206E108-S202 VanDerWaalsContact CD-OG 3.29Å; E108-S202 WeakPolarHBondContact OE1-CB 3.41Å; E108-S202 PolarHBondContact OE1-OG 3.01Å; P200-S202 PolarHBondContact O-N 2.7Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 3.37Å
203V98.8Very high98.5Very high0 Ų021.3 Ų21.30%011%0.106CC..Hα-helixtrans-71.1-38.5175.2176.70000111.5I168 A177 L193 P195 P200 L201 L206 M207 V221I168-V203 HydrophobicContact CD1-CG2 3.97Å; A177-V203 HydrophobicContact CB-CG2 3.95Å; L193-V203 HydrophobicContact CD2-CG1 3.66Å; P195-V203 HydrophobicContact CG-CB 4.29Å; P195-V203 HydrophobicContact CG-CG1 4.01Å; P200-V203 PolarHBondContact O-N 3.02Å; L201-V203 VanDerWaalsContact C-N 3.28Å; L201-V203 PolarHBondContact O-N 3.49Å; V203-L206 WeakPolarHBondContact O-CB 3.12Å; V203-L206 PolarHBondContact O-N 2.83Å; V203-M207 PolarHBondContact O-N 3.47Å; V203-M207 VanDerWaalsContact O-N 3.14Å; V203-V221 HydrophobicContact CG1-CG1 4.04Å; V203-V221 HydrophobicContact CG1-CG2 4.22Å
204L98.8Very high98.5Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-64.4-46.5175.7-68.3163.6000111Y25 W33 V56 P200 L201 L206 M207 E208Y25-L204 HydrophobicContact CD1-CB 4.12Å; Y25-L204 HydrophobicContact CD1-CD1 4.41Å; Y25-L204 HydrophobicContact CG-CD1 4.02Å; W33-L204 HydrophobicContact CH2-CB 4.38Å; W33-L204 HydrophobicContact CH2-CD2 4.12Å; W33-L204 WeakPolarHBondContact CH2-O 3.49Å; W33-L204 HydrophobicContact CZ3-CD2 3.73Å; V56-L204 HydrophobicContact CG1-CD1 4.1Å; V56-L204 HydrophobicContact CG2-CD1 4.27Å; P200-L204 HydrophobicContact CB-CD1 4.03Å; P200-L204 HydrophobicContact CG-CD1 4.48Å; P200-L204 WeakPolarHBondContact O-CG 3.3Å; P200-L204 PolarHBondContact O-N 3.05Å; L201-L204 WeakPolarHBondContact O-CB 3.36Å; L201-L204 PolarHBondContact O-N 3.2Å; L201-L204 VanDerWaalsContact O-N 3.16Å; L204-L206 VanDerWaalsContact C-N 3.31Å; L204-L206 PolarHBondContact O-N 2.82Å; L204-M207 PolarHBondContact O-N 2.89Å; L204-M207 VanDerWaalsContact O-N 3.12Å; L204-E208 PolarHBondContact O-N 2.77Å
205L98.2Very high98.5Very high8 Ų823.2 Ų23.24%0.04212%0.118CC..Hα-helixtrans-64-36.3174.9-66.4-179.9000112.2Y25 L104 A107 L201 M207 E208 I209Y25-L205 HydrophobicContact CE1-CD2 4.13Å; L104-L205 HydrophobicContact CD2-CB 4.31Å; A107-L205 HydrophobicContact CB-CD1 3.42Å; A107-L205 VanDerWaalsContact CB-CD1 3.42Å; L201-L205 HydrophobicContact CD1-CD1 4.37Å; L201-L205 HydrophobicContact CD1-CG 4.27Å; L201-L205 HydrophobicContact CG-CD1 4.2Å; L201-L205 HydrophobicContact CG-CG 4.46Å; L201-L205 WeakPolarHBondContact O-CG 3.05Å; L201-L205 PolarHBondContact O-N 3.3Å; L205-M207 VanDerWaalsContact C-N 3.27Å; L205-M207 PolarHBondContact O-N 2.95Å; L205-E208 WeakPolarHBondContact O-CB 3.34Å; L205-E208 PolarHBondContact O-N 2.8Å; L205-E208 VanDerWaalsContact O-N 3.13Å; L205-I209 WeakPolarHBondContact O-CD1 3.12Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.24Å; L205-I209 PolarHBondContact O-N 3.15Å; L205-I209 VanDerWaalsContact O-N 3.08Å
206L98.7Very high98.5Very high1 Ų127.2 Ų27.21%0.00514%0.144CC..Hα-helixtrans-55.6-45.1172177.667.9000110.8M97 L174 M181 S202 V203 L204 E208 I209 V210M97-L206 HydrophobicContact CE-CD1 4.17Å; M97-L206 HydrophobicContact CG-CD1 3.49Å; M97-L206 VanDerWaalsContact CG-CD1 3.49Å; M97-L206 HydrophobicContact SD-CD1 3.68Å; L174-L206 HydrophobicContact CD1-CB 3.89Å; L174-L206 HydrophobicContact CD1-CD1 4.33Å; L174-L206 HydrophobicContact CD1-CD2 3.71Å; L174-L206 HydrophobicContact CD1-CG 4.17Å; M181-L206 HydrophobicContact CE-CD2 3.66Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 3.37Å; V203-L206 WeakPolarHBondContact O-CB 3.12Å; V203-L206 PolarHBondContact O-N 2.83Å; L204-L206 VanDerWaalsContact C-N 3.31Å; L204-L206 PolarHBondContact O-N 2.82Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 3.45Å; L206-I209 PolarHBondContact O-N 2.97Å; L206-I209 VanDerWaalsContact O-N 3.07Å; L206-V210 HydrophobicContact CD1-CG1 4.02Å; L206-V210 HydrophobicContact CD1-CG2 4.01Å; L206-V210 HydrophobicContact CG-CG2 4.09Å; L206-V210 WeakPolarHBondContact O-CG2 3.28Å; L206-V210 PolarHBondContact O-N 3.42Å
207M98.8Very high98.5Very high5 Ų526.9 Ų26.93%0.02514%0.141CC..Hα-helixtrans-65.6-31.7178.5-65.2-55.794.100112.7F28 W33 V203 L204 L205 I209 V210 G211 V219 V221F28-M207 HydrophobicContact CB-CB 4.29Å; F28-M207 HydrophobicContact CB-CG 4.18Å; F28-M207 HydrophobicContact CD1-CB 4.24Å; F28-M207 HydrophobicContact CD1-CG 4.02Å; F28-M207 HydrophobicContact CD1-SD 3.95Å; F28-M207 HydrophobicContact CD2-CB 4.09Å; F28-M207 HydrophobicContact CE1-SD 4.17Å; F28-M207 HydrophobicContact CE2-CB 4.49Å; F28-M207 HydrophobicContact CG-CB 3.95Å; F28-M207 HydrophobicContact CG-CG 4.05Å; W33-M207 HydrophobicContact CH2-CB 4.08Å; W33-M207 HydrophobicContact CZ2-CB 4.13Å; V203-M207 PolarHBondContact O-N 3.47Å; V203-M207 VanDerWaalsContact O-N 3.14Å; L204-M207 PolarHBondContact O-N 2.89Å; L204-M207 VanDerWaalsContact O-N 3.12Å; L205-M207 VanDerWaalsContact C-N 3.27Å; L205-M207 PolarHBondContact O-N 2.95Å; M207-I209 VanDerWaalsContact C-N 3.29Å; M207-I209 PolarHBondContact O-N 3.23Å; M207-V210 HydrophobicContact CE-CG2 4.15Å; M207-G211 VanDerWaalsContact O-CA 3.23Å; M207-G211 WeakPolarHBondContact O-CA 3.49Å; M207-G211 PolarHBondContact O-N 3.01Å; M207-V219 HydrophobicContact CE-CG1 4.37Å; M207-V219 HydrophobicContact SD-CB 4.46Å; M207-V219 HydrophobicContact SD-CG1 3.71Å; M207-V221 HydrophobicContact CG-CG2 3.61Å; M207-V221 HydrophobicContact SD-CG2 3.9Å
208E98.3Very high98.6Very high72 Ų7221.8 Ų21.834%0.33612%0.122SC..Hα-helixtrans-64.8-34.8171.2-63.7-173166.800112.5K22 Y25 W33 L204 L205 L206K22-E208 WeakPolarHBondContact CE-OE1 3.16Å; K22-E208 IonicContact NZ-OE1 3.68Å; K22-E208 PolarHBondContact NZ-OE1 3.18Å; Y25-E208 WeakPolarHBondContact CE1-OE1 3.33Å; W33-E208 HydrophobicContact CH2-CG 4.15Å; W33-E208 HydrophobicContact CZ2-CB 4.46Å; W33-E208 HydrophobicContact CZ2-CG 3.4Å; L204-E208 PolarHBondContact O-N 2.77Å; L205-E208 WeakPolarHBondContact O-CB 3.34Å; L205-E208 PolarHBondContact O-N 2.8Å; L205-E208 VanDerWaalsContact O-N 3.13Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 3.45Å
209I98.6Very high98.6Very high19 Ų1918.9 Ų18.910%0.09711%0.107CC..Hα-helixtrans-81.8-37.7-175.3-66.1159.8000111.8R96 N100 L103 L104 L205 L206 M207R96-I209 HydrophobicContact CB-CG2 3.78Å; R96-I209 WeakPolarHBondContact CD-O 3.48Å; R96-I209 PolarHBondContact NH1-O 3.34Å; N100-I209 HydrophobicContact CB-CD1 3.71Å; N100-I209 HydrophobicContact CB-CG1 4.35Å; N100-I209 HydrophobicContact CB-CG2 4.41Å; L103-I209 HydrophobicContact CD2-CD1 4.23Å; L104-I209 HydrophobicContact CD1-CD1 4.2Å; L104-I209 HydrophobicContact CD2-CD1 3.85Å; L104-I209 HydrophobicContact CG-CD1 3.96Å; L205-I209 WeakPolarHBondContact O-CD1 3.12Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.24Å; L205-I209 PolarHBondContact O-N 3.15Å; L205-I209 VanDerWaalsContact O-N 3.08Å; L206-I209 PolarHBondContact O-N 2.97Å; L206-I209 VanDerWaalsContact O-N 3.07Å; M207-I209 VanDerWaalsContact C-N 3.29Å; M207-I209 PolarHBondContact O-N 3.23Å
210V98.8Very high98.7Very high2 Ų218.9 Ų18.91%0.01211%0.107CC..Hα-helixtrans-122.9-6.2-169.6-47.10000114.9I93 R96 M97 L206 M207 D212 L213I93-V210 HydrophobicContact CB-CG1 4.5Å; I93-V210 HydrophobicContact CG1-CB 4.1Å; I93-V210 HydrophobicContact CG1-CG2 4.27Å; I93-V210 HydrophobicContact CG2-CB 4.45Å; I93-V210 HydrophobicContact CG2-CG1 4.18Å; I93-V210 HydrophobicContact CG2-CG2 4.3Å; R96-V210 HydrophobicContact CB-CG1 4.03Å; M97-V210 HydrophobicContact CG-CG1 4.43Å; L206-V210 HydrophobicContact CD1-CG1 4.02Å; L206-V210 HydrophobicContact CD1-CG2 4.01Å; L206-V210 HydrophobicContact CG-CG2 4.09Å; L206-V210 WeakPolarHBondContact O-CG2 3.28Å; L206-V210 PolarHBondContact O-N 3.42Å; M207-V210 HydrophobicContact CE-CG2 4.15Å; V210-D212 VanDerWaalsContact C-N 3.28Å; V210-D212 PolarHBondContact O-N 2.99Å; V210-L213 HydrophobicContact CB-CD1 4.25Å; V210-L213 WeakPolarHBondContact O-CB 3.24Å; V210-L213 PolarHBondContact O-N 2.97Å
211G98.7Very high98.7Very high8 Ų818.9 Ų18.98%0.08211%0.107CC..G310 helixtrans-58.3-36-173.700000113.9M207 L213 L214M207-G211 VanDerWaalsContact O-CA 3.23Å; M207-G211 WeakPolarHBondContact O-CA 3.49Å; M207-G211 PolarHBondContact O-N 3.01Å; G211-L213 VanDerWaalsContact C-N 3.27Å; G211-L213 PolarHBondContact O-N 3.22Å; G211-L214 PolarHBondContact O-N 3.44Å
212D98.7Very high98.7Very high109 Ų10918.9 Ų18.958%0.58311%0.107SC*.G310 helixtrans-72.1-15.7178.464-65.1000114.1R96 V210 L214R96-D212 IonicContact CZ-OD1 2.77Å; R96-D212 IonicContact CZ-OD2 3.15Å; R96-D212 VanDerWaalsContact CZ-OD2 3.31Å; R96-D212 IonicContact NH1-OD1 3.79Å; R96-D212 PolarHBondContact NH1-OD1 3.37Å; R96-D212 IonicContact NH1-OD2 3.9Å; R96-D212 PolarHBondContact NH1-OD2 3.46Å; R96-D212 IonicContact NH2-OD1 3.98Å; R96-D212 IonicContact NH2-OD2 3.44Å; R96-D212 PolarHBondContact NH2-OD2 2.79Å; V210-D212 VanDerWaalsContact C-N 3.28Å; V210-D212 PolarHBondContact O-N 2.99Å; D212-L214 VanDerWaalsContact C-N 3.26Å
213L98.8Very high98.7Very high32 Ų3219 Ų1917%0.16811%0.107CC..G310 helixtrans-74.5-21.6174.9-64.4178.9000112.5K92 I93 R96 V210 G211K92-L213 HydrophobicContact CB-CD1 3.75Å; K92-L213 HydrophobicContact CB-CD2 4.33Å; K92-L213 HydrophobicContact CD-CD2 4.35Å; I93-L213 HydrophobicContact CG1-CD1 4.02Å; R96-L213 HydrophobicContact CG-CD1 4.31Å; R96-L213 VanDerWaalsContact CZ-CD2 3.44Å; R96-L213 VanDerWaalsContact NH2-CD2 3.27Å; V210-L213 HydrophobicContact CB-CD1 4.25Å; V210-L213 WeakPolarHBondContact O-CB 3.24Å; V210-L213 PolarHBondContact O-N 2.97Å; G211-L213 VanDerWaalsContact C-N 3.27Å; G211-L213 PolarHBondContact O-N 3.22Å
214L98.7Very high98.7Very high14 Ų1419 Ų197%0.07311%0.107CC..SBendtrans-99142-173.1-68.2159.7000109.9I89 I93 L185 G211 D212 V218 V219I89-L214 HydrophobicContact CG2-CD2 3.92Å; I93-L214 HydrophobicContact CD1-CD1 4.48Å; I93-L214 HydrophobicContact CD1-CD2 4.19Å; I93-L214 HydrophobicContact CD1-CG 4.42Å; L185-L214 HydrophobicContact CD1-CD2 4.37Å; G211-L214 PolarHBondContact O-N 3.44Å; D212-L214 VanDerWaalsContact C-N 3.26Å; L214-V218 HydrophobicContact CD2-CG1 4.1Å; L214-V219 HydrophobicContact CD1-CB 4.04Å; L214-V219 HydrophobicContact CD1-CG2 3.67Å
215P98.5Very high98.6Very high38 Ų3820.5 Ų20.525%0.24712%0.12CC..PPolyproline II helixtrans-56.4135.9168.4-2231.7000110.6W78 G217 V218W78-P215 HydrophobicContact CE3-CG 3.97Å; W78-P215 HydrophobicContact CZ3-CG 4.09Å; P215-G217 PolarHBondContact O-N 2.95Å; P215-V218 HydrophobicContact CB-CG2 3.79Å; P215-V218 HydrophobicContact CG-CG2 4.02Å; P215-V218 WeakPolarHBondContact O-CB 3.08Å; P215-V218 WeakPolarHBondContact O-CG2 3.43Å; P215-V218 PolarHBondContact O-N 3.41Å
216P98.8Very high98.4Very high85 Ų8521.7 Ų21.755%0.55213%0.134SC*.THydrogen-bonded Turntrans-49.5121.6-179.9-32.237.3000112.5G30 V74G30-P216 WeakPolarHBondContact O-CB 3.44Å; V74-P216 WeakPolarHBondContact CG1-O 3.43Å; V74-P216 WeakPolarHBondContact CG2-O 3.48Å
217G98.8Very high98.2Very high1 Ų124.6 Ų24.61%0.0116%0.164CC..THydrogen-bonded Turntrans94.4-6.3-179.500000115.7A71 P215 N220A71-G217 WeakPolarHBondContact CA-O 3.32Å; P215-G217 PolarHBondContact O-N 2.95Å; G217-N220 PolarHBondContact O-ND2 3.16Å
218V98.9Very high98Very high0 Ų027.6 Ų27.60%018%0.183CC..SBendtrans-67.7-38.1175.6168.60000112V74 W78 L185 C190 V191 L214 P215V74-V218 HydrophobicContact CG2-CG2 4.03Å; W78-V218 HydrophobicContact CB-CG2 3.94Å; W78-V218 HydrophobicContact CD2-CG1 3.95Å; W78-V218 HydrophobicContact CD2-CG2 3.87Å; W78-V218 HydrophobicContact CE3-CG2 4.15Å; W78-V218 HydrophobicContact CG-CG1 4.11Å; W78-V218 HydrophobicContact CG-CG2 3.77Å; W78-V218 HydrophobicContact CZ2-CG1 4.17Å; L185-V218 HydrophobicContact CD2-CG1 3.44Å; L185-V218 VanDerWaalsContact CD2-CG1 3.44Å; C190-V218 CarbonylContact C-O 3.51Å; C190-V218 VanDerWaalsContact CA-O 3.27Å; C190-V218 WeakPolarHBondContact CA-O 3.43Å; V191-V218 PolarHBondContact N-O 3.16Å; L214-V218 HydrophobicContact CD2-CG1 4.1Å; P215-V218 HydrophobicContact CB-CG2 3.79Å; P215-V218 HydrophobicContact CG-CG2 4.02Å; P215-V218 WeakPolarHBondContact O-CB 3.08Å; P215-V218 WeakPolarHBondContact O-CG2 3.43Å; P215-V218 PolarHBondContact O-N 3.41Å
219V98.9Very high98.1Very high3 Ų324.1 Ų24.12%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-122132168.9177.70000108.1M181 L185 M207 L214 V221M181-V219 HydrophobicContact SD-CG1 4.04Å; L185-V219 HydrophobicContact CD1-CG2 4.05Å; L185-V219 HydrophobicContact CD2-CG2 3.8Å; L185-V219 HydrophobicContact CG-CG2 4.43Å; M207-V219 HydrophobicContact CE-CG1 4.37Å; M207-V219 HydrophobicContact SD-CB 4.46Å; M207-V219 HydrophobicContact SD-CG1 3.71Å; L214-V219 HydrophobicContact CD1-CB 4.04Å; L214-V219 HydrophobicContact CD1-CG2 3.67Å; V219-V221 HydrophobicContact CG1-CG2 4.32Å
220N99Very high98Very high0 Ų023.3 Ų23.30%016%0.163CC..EExtended strand (participates in β ladder)trans-130.8131.6175.3-50-92.1000108.1F28 G30 A67 A70 V191 V192 L193 G217F28-N220 CarbonylContact O-C 3.51Å; F28-N220 WeakPolarHBondContact O-CA 3.4Å; G30-N220 PolarHBondContact N-OD1 2.9Å; A67-N220 HydrophobicContact CB-CB 3.82Å; A70-N220 WeakPolarHBondContact CB-OD1 3.34Å; V191-N220 PolarHBondContact O-N 3.31Å; V191-N220 PolarHBondContact O-ND2 3.4Å; V192-N220 CarbonylContact C-O 3.41Å; V192-N220 WeakPolarHBondContact CA-O 3.45Å; L193-N220 PolarHBondContact N-O 2.8Å; G217-N220 PolarHBondContact O-ND2 3.16Å
221V99Very high97.9Very high0 Ų027.1 Ų27.10%018%0.181CC..EExtended strand (participates in β ladder)trans-116118.2-179.6-175.50000108.9N27 F28 L193 P195 V203 M207 V219N27-V221 WeakPolarHBondContact CB-O 3.16Å; F28-V221 HydrophobicContact CB-CB 4.16Å; F28-V221 HydrophobicContact CB-CG2 4.49Å; F28-V221 PolarHBondContact N-O 2.91Å; F28-V221 PolarHBondContact O-N 2.91Å; L193-V221 HydrophobicContact CB-CG2 4.42Å; L193-V221 HydrophobicContact CD2-CG2 4.34Å; L193-V221 WeakPolarHBondContact O-CA 3.42Å; P195-V221 HydrophobicContact CG-CG1 3.59Å; V203-V221 HydrophobicContact CG1-CG1 4.04Å; V203-V221 HydrophobicContact CG1-CG2 4.22Å; M207-V221 HydrophobicContact CG-CG2 3.61Å; M207-V221 HydrophobicContact SD-CG2 3.9Å; V219-V221 HydrophobicContact CG1-CG2 4.32Å
222V98.9Very high97.9Very high0 Ų029.5 Ų29.50%019%0.188CC..  trans-119.2123.1-179.7-1730000109.9I29 D63 I64 A67 V192 L193 I229I29-V222 HydrophobicContact CD1-CG2 4.18Å; I29-V222 HydrophobicContact CG1-CG2 4.31Å; D63-V222 HydrophobicContact CB-CG1 3.92Å; I64-V222 HydrophobicContact CD1-CB 3.87Å; I64-V222 HydrophobicContact CD1-CG1 3.81Å; I64-V222 HydrophobicContact CD1-CG2 4.12Å; I64-V222 HydrophobicContact CG1-CG1 4.33Å; A67-V222 HydrophobicContact CB-CG2 3.61Å; V192-V222 HydrophobicContact CG1-CG2 4.38Å; L193-V222 PolarHBondContact O-N 3.09Å; V222-I229 HydrophobicContact CG1-CD1 4.04Å
223N98.9Very high97.9Very high1 Ų124.3 Ų24.31%0.00516%0.16CC..  trans-100.8141.9-176.6-65-81.8000111.2N27 V56 A57 S59N27-N223 PolarHBondContact OD1-N 3.47Å; V56-N223 HydrophobicContact CG1-CB 3.62Å; A57-N223 CarbonylContact O-C 3.32Å; A57-N223 VanDerWaalsContact O-C 3.3Å; A57-N223 WeakPolarHBondContact O-CB 3.35Å; A57-N223 VanDerWaalsContact O-O 3.04Å; S59-N223 WeakPolarHBondContact CA-O 3.39Å; S59-N223 WeakPolarHBondContact CB-O 3.03Å; S59-N223 PolarHBondContact N-O 2.68Å; S59-N223 PolarHBondContact OG-O 3.48Å
224G98.2Very high97.9Very high0 Ų022.8 Ų22.80%015%0.152CC..SBendtrans158-176-178.800000113.7K194 R197 G226K194-G224 WeakPolarHBondContact CE-O 3.31Å; K194-G224 PolarHBondContact NZ-O 3.41Å; R197-G224 VanDerWaalsContact CG-O 3.31Å; R197-G224 WeakPolarHBondContact CG-O 3.45Å; G224-G226 PolarHBondContact O-N 3.32Å
225A96.5Very high97.8Very high32 Ų3223.5 Ų23.526%0.26416%0.157SC..  trans-66.2131.2-177.400000112.2G227 V228 I229A225-G227 PolarHBondContact O-N 3.46Å; A225-V228 HydrophobicContact CB-CB 4.17Å; A225-V228 HydrophobicContact CB-CG2 3.95Å; A225-V228 PolarHBondContact O-N 3.49Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.33Å; A225-I229 PolarHBondContact O-N 3.44Å
226G93.8Very high97.8Very high33 Ų3322.2 Ų22.234%0.3415%0.149SC..Iπ-helixtrans-57.1-48.117900000112.6G224 V228 G230 E231G224-G226 PolarHBondContact O-N 3.32Å; G226-V228 PolarHBondContact O-N 3.03Å; G226-G230 CarbonylContact O-C 3.56Å; G226-G230 WeakPolarHBondContact O-CA 3.44Å; G226-G230 PolarHBondContact O-N 3.12Å; G226-E231 PolarHBondContact O-N 2.91Å; G226-E231 VanDerWaalsContact O-N 3.12Å
227G94.3Very high97.7Very high62 Ų6226.9 Ų26.964%0.63916%0.16SC*.Iπ-helixtrans-70.65.8176.300000115.3A225A225-G227 PolarHBondContact O-N 3.46Å
228V96.1Very high97.7Very high68 Ų6830.5 Ų30.541%0.41217%0.174SC..Iπ-helixtrans-118-67.7173.2-1800000109.4A225 G226 Y232A225-V228 HydrophobicContact CB-CB 4.17Å; A225-V228 HydrophobicContact CB-CG2 3.95Å; A225-V228 PolarHBondContact O-N 3.49Å; G226-V228 PolarHBondContact O-N 3.03Å; V228-Y232 VanDerWaalsContact O-CB 3.24Å; V228-Y232 WeakPolarHBondContact O-CB 3.17Å; V228-Y232 PolarHBondContact O-N 2.94Å; V228-Y232 VanDerWaalsContact O-N 3.12Å
229I98.3Very high97.7Very high0 Ų030.8 Ų30.80%018%0.175CC..Iπ-helixtrans-83.3-28.5-174.462159.4000112.7S59 G60 I64 K194 V222 A225 L233S59-I229 WeakPolarHBondContact O-CG2 3.44Å; G60-I229 WeakPolarHBondContact O-CG2 3.21Å; I64-I229 HydrophobicContact CD1-CB 4.07Å; I64-I229 HydrophobicContact CG1-CB 3.85Å; I64-I229 HydrophobicContact CG1-CG2 4.13Å; K194-I229 HydrophobicContact CD-CD1 4.47Å; K194-I229 HydrophobicContact CG-CD1 3.57Å; K194-I229 HydrophobicContact CG-CG1 4Å; V222-I229 HydrophobicContact CG1-CD1 4.04Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.33Å; A225-I229 PolarHBondContact O-N 3.44Å; I229-L233 VanDerWaalsContact O-CB 3.22Å; I229-L233 WeakPolarHBondContact O-CB 3.37Å; I229-L233 PolarHBondContact O-N 3.32Å
230G97.7Very high97.7Very high2 Ų232.1 Ų32.12%0.02119%0.187CC..Iπ-helixtrans-70.1-47175.500000111.5G226 L233 A234G226-G230 CarbonylContact O-C 3.56Å; G226-G230 WeakPolarHBondContact O-CA 3.44Å; G226-G230 PolarHBondContact O-N 3.12Å; G230-L233 PolarHBondContact O-N 2.77Å; G230-A234 WeakPolarHBondContact O-CB 3.42Å; G230-A234 PolarHBondContact O-N 2.82Å
231E97.1Very high97.7Very high81 Ų8132.1 Ų32.138%0.37919%0.187SC..Hα-helixtrans-59.3-48.1172.3177.5179.6163.800111.3G226 L233 A234 T235 Y257G226-E231 PolarHBondContact O-N 2.91Å; G226-E231 VanDerWaalsContact O-N 3.12Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.43Å; E231-A234 PolarHBondContact O-N 2.86Å; E231-T235 HydrophobicContact CG-CG2 4.37Å; E231-T235 WeakPolarHBondContact O-CB 3.23Å; E231-T235 WeakPolarHBondContact O-CG2 3.5Å; E231-T235 PolarHBondContact O-N 3.46Å; E231-T235 PolarHBondContact O-OG1 3.35Å; E231-Y257 HydrophobicContact CB-CE2 4.02Å; E231-Y257 HydrophobicContact CG-CD1 4.42Å; E231-Y257 HydrophobicContact CG-CD2 4.21Å; E231-Y257 HydrophobicContact CG-CE1 4.01Å; E231-Y257 HydrophobicContact CG-CE2 3.81Å
232Y98.4Very high97.6Very high58 Ų5832.1 Ų32.123%0.22719%0.187CC..Hα-helixtrans-63-39.9-179.1-173-114.3000112.7K61 I64 D65 V228 T235 S236K61-Y232 HydrophobicContact CB-CD1 3.71Å; K61-Y232 HydrophobicContact CB-CD2 4.33Å; K61-Y232 HydrophobicContact CB-CE1 3.69Å; K61-Y232 HydrophobicContact CB-CE2 4.31Å; K61-Y232 HydrophobicContact CB-CG 4.04Å; K61-Y232 HydrophobicContact CD-CD1 4.49Å; K61-Y232 HydrophobicContact CD-CD2 3.64Å; K61-Y232 HydrophobicContact CD-CE2 3.87Å; K61-Y232 HydrophobicContact CD-CG 3.97Å; K61-Y232 HydrophobicContact CG-CD1 3.84Å; K61-Y232 HydrophobicContact CG-CD2 3.86Å; K61-Y232 HydrophobicContact CG-CE1 4.23Å; K61-Y232 HydrophobicContact CG-CE2 4.24Å; K61-Y232 HydrophobicContact CG-CG 3.64Å; K61-Y232 WeakPolarHBondContact O-CE1 3.42Å; I64-Y232 HydrophobicContact CB-CD1 3.77Å; I64-Y232 HydrophobicContact CB-CE1 4.11Å; I64-Y232 HydrophobicContact CG1-CD1 4.29Å; I64-Y232 HydrophobicContact CG2-CD1 3.66Å; I64-Y232 HydrophobicContact CG2-CE1 3.96Å; D65-Y232 PolarHBondContact OD1-OH 3.48Å; D65-Y232 PolarHBondContact OD2-OH 2.62Å; D65-Y232 VanDerWaalsContact OD2-OH 3.13Å; V228-Y232 VanDerWaalsContact O-CB 3.24Å; V228-Y232 WeakPolarHBondContact O-CB 3.17Å; V228-Y232 PolarHBondContact O-N 2.94Å; V228-Y232 VanDerWaalsContact O-N 3.12Å; Y232-T235 PolarHBondContact O-OG1 2.99Å; Y232-S236 WeakPolarHBondContact O-CB 3.25Å; Y232-S236 PolarHBondContact O-N 3.33Å; Y232-S236 VanDerWaalsContact O-N 3.16Å
233L98.5Very high97.6Very high0 Ų032.1 Ų32.10%019%0.187CC..Hα-helixtrans-62.4-48.5173.3-179.460.2000111.1I64 L68 V192 I229 G230 E231 T235 S236 I239I64-L233 HydrophobicContact CD1-CB 4.41Å; I64-L233 HydrophobicContact CG2-CB 4.39Å; I64-L233 HydrophobicContact CG2-CD1 4.21Å; L68-L233 HydrophobicContact CD2-CD1 4.34Å; V192-L233 HydrophobicContact CB-CD1 4.06Å; V192-L233 HydrophobicContact CB-CD2 4.45Å; V192-L233 HydrophobicContact CG1-CD1 3.93Å; V192-L233 HydrophobicContact CG1-CD2 4.1Å; I229-L233 VanDerWaalsContact O-CB 3.22Å; I229-L233 WeakPolarHBondContact O-CB 3.37Å; I229-L233 PolarHBondContact O-N 3.32Å; G230-L233 PolarHBondContact O-N 2.77Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.43Å; L233-T235 VanDerWaalsContact C-N 3.32Å; L233-T235 PolarHBondContact O-N 2.82Å; L233-S236 VanDerWaalsContact O-CB 3.28Å; L233-S236 WeakPolarHBondContact O-CB 3.24Å; L233-S236 PolarHBondContact O-N 3.35Å; L233-S236 VanDerWaalsContact O-N 3.16Å; L233-I239 HydrophobicContact CD1-CG2 3.79Å; L233-I239 WeakPolarHBondContact O-CD1 3.11Å
234A97.9Very high97.6Very high0 Ų032.7 Ų32.70%019%0.189CC..Hα-helixtrans-67.3-28.8-17700000113.8G230 E231 V242 I254 Y257G230-A234 WeakPolarHBondContact O-CB 3.42Å; G230-A234 PolarHBondContact O-N 2.82Å; E231-A234 PolarHBondContact O-N 2.86Å; A234-V242 HydrophobicContact CB-CG2 4.4Å; A234-I254 HydrophobicContact CB-CD1 4Å; A234-Y257 HydrophobicContact CB-CD2 4.06Å; A234-Y257 HydrophobicContact CB-CG 4.44Å
235T97.6Very high97.6Very high30 Ų3033.1 Ų33.118%0.18419%0.192CC..THydrogen-bonded Turntrans-89.7-1.9175.353.40000113.3E231 Y232 L233 K237 Y257 N261E231-T235 HydrophobicContact CG-CG2 4.37Å; E231-T235 WeakPolarHBondContact O-CB 3.23Å; E231-T235 WeakPolarHBondContact O-CG2 3.5Å; E231-T235 PolarHBondContact O-N 3.46Å; E231-T235 PolarHBondContact O-OG1 3.35Å; Y232-T235 PolarHBondContact O-OG1 2.99Å; L233-T235 VanDerWaalsContact C-N 3.32Å; L233-T235 PolarHBondContact O-N 2.82Å; T235-K237 PolarHBondContact O-N 3.06Å; T235-Y257 HydrophobicContact CG2-CD1 3.77Å; T235-Y257 HydrophobicContact CG2-CG 3.74Å; T235-N261 VanDerWaalsContact C-ND2 3.27Å; T235-N261 PolarHBondContact O-ND2 3.07Å
236S98.1Very high97.7Very high10 Ų1032.7 Ų32.77%0.0719%0.191CC..  trans-71128.6-177.8-175.60000111.9L68 Y232 L233 R238 I239 N261L68-S236 WeakPolarHBondContact CD1-OG 3.46Å; Y232-S236 WeakPolarHBondContact O-CB 3.25Å; Y232-S236 PolarHBondContact O-N 3.33Å; Y232-S236 VanDerWaalsContact O-N 3.16Å; L233-S236 VanDerWaalsContact O-CB 3.28Å; L233-S236 WeakPolarHBondContact O-CB 3.24Å; L233-S236 PolarHBondContact O-N 3.35Å; L233-S236 VanDerWaalsContact O-N 3.16Å; S236-R238 PolarHBondContact O-N 2.88Å; S236-R238 WeakPolarHBondContact OG-CB 3.48Å; S236-R238 PolarHBondContact OG-N 2.94Å; S236-I239 WeakPolarHBondContact O-CG1 3.41Å; S236-I239 PolarHBondContact O-N 2.98Å; S236-N261 PolarHBondContact O-ND2 3.37Å
237K97.7Very high97.8Very high184 Ų18433.4 Ų33.480%0.819%0.19SC*.THydrogen-bonded Turntrans-65.3-4.9170.1-71.6177.3-178.7-1750113.5T235 N261T235-K237 PolarHBondContact O-N 3.06Å; K237-N261 WeakPolarHBondContact CG-OD1 3.39Å; K237-N261 PolarHBondContact N-ND2 3.44Å
238R98.5Very high98Very high76 Ų7630.9 Ų30.929%0.28716%0.163SC..THydrogen-bonded Turntrans-102.4-1.2-173-54.9179.862.3-169.42.5112.9D65 L68 D69 H72 S236D65-R238 IonicContact OD1-NH1 3.31Å; L68-R238 HydrophobicContact CD1-CB 4.17Å; L68-R238 HydrophobicContact CD2-CB 4.27Å; D69-R238 IonicContact OD1-CZ 2.66Å; D69-R238 IonicContact OD1-NH1 3.27Å; D69-R238 PolarHBondContact OD1-NH1 2.91Å; D69-R238 IonicContact OD1-NH2 2.72Å; D69-R238 PolarHBondContact OD1-NH2 3.21Å; H72-R238 PolarHBondContact CE1-O 2.9Å; H72-R238 PolarHBondContact NE2-O 3.22Å; S236-R238 PolarHBondContact O-N 2.88Å; S236-R238 WeakPolarHBondContact OG-CB 3.48Å; S236-R238 PolarHBondContact OG-N 2.94Å
239I98.6Very high98Very high7 Ų734.7 Ų34.74%0.03618%0.176CC..  trans-105144.2168.157.4162.6000109.8L68 V163 L233 S236 V242 I263L68-I239 HydrophobicContact CD2-CG2 3.65Å; V163-I239 HydrophobicContact CG1-CG2 4.41Å; V163-I239 CarbonylContact O-C 3.52Å; V163-I239 WeakPolarHBondContact O-CA 3.45Å; L233-I239 HydrophobicContact CD1-CG2 3.79Å; L233-I239 WeakPolarHBondContact O-CD1 3.11Å; S236-I239 WeakPolarHBondContact O-CG1 3.41Å; S236-I239 PolarHBondContact O-N 2.98Å; I239-V242 HydrophobicContact CD1-CB 4.09Å; I239-I263 HydrophobicContact CD1-CD1 3.63Å; I239-I263 HydrophobicContact CG1-CD1 3.75Å
240A98.4Very high98Very high31 Ų3137.2 Ų37.226%0.25619%0.191SC..SBendtrans-93-9.3176.400000112.5L161 V163 P264L161-A240 HydrophobicContact CB-CB 3.86Å; L161-A240 VanDerWaalsContact O-CB 3.27Å; L161-A240 WeakPolarHBondContact O-CB 3.1Å; V163-A240 PolarHBondContact O-N 2.9Å; A240-P264 VanDerWaalsContact O-CD 3.29Å; A240-P264 WeakPolarHBondContact O-CD 3.28Å
241K98.5Very high98Very high0 Ų037.1 Ų37.10%019%0.19CC..EExtended strand (participates in β ladder)trans-162.7148.3-179.1168.5169.8179.259.20110.5L161 V164 G165 P264 T266 H493 Y494L161-K241 HydrophobicContact CD1-CB 3.84Å; L161-K241 HydrophobicContact CD1-CD 3.81Å; L161-K241 HydrophobicContact CD1-CG 4.46Å; V164-K241 WeakPolarHBondContact CA-O 3.21Å; V164-K241 HydrophobicContact CB-CB 4.17Å; V164-K241 HydrophobicContact CG1-CB 3.79Å; V164-K241 HydrophobicContact CG1-CG 4.49Å; G165-K241 PolarHBondContact N-O 2.94Å; K241-P264 HydrophobicContact CB-CG 4.16Å; K241-P264 HydrophobicContact CG-CG 4.47Å; K241-T266 PolarHBondContact NZ-OG1 2.83Å; K241-H493 WeakPolarHBondContact CD-O 3.26Å; K241-H493 WeakPolarHBondContact CE-O 3.33Å; K241-Y494 HydrophobicContact CD-CD1 3.78Å; K241-Y494 HydrophobicContact CD-CE1 3.75Å
242V98.6Very high98Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-116.9135.9161.862.60000110.9G165 I167 A234 I239 I254 A258 I263 P264 V265 T266G165-V242 CarbonylContact O-C 3.57Å; G165-V242 WeakPolarHBondContact O-CA 3.37Å; I167-V242 HydrophobicContact CD1-CG2 4.39Å; A234-V242 HydrophobicContact CB-CG2 4.4Å; I239-V242 HydrophobicContact CD1-CB 4.09Å; V242-I254 HydrophobicContact CG1-CG2 3.79Å; V242-I254 HydrophobicContact CG2-CG2 4.04Å; V242-A258 HydrophobicContact CG1-CB 3.96Å; V242-I263 HydrophobicContact CG1-CD1 4.46Å; V242-P264 PolarHBondContact N-O 3.48Å; V242-V265 HydrophobicContact CG1-CB 4.36Å; V242-V265 HydrophobicContact CG1-CG1 3.63Å; V242-V265 WeakPolarHBondContact O-CA 3.18Å; V242-T266 PolarHBondContact O-N 3.47Å; V242-T266 VanDerWaalsContact O-N 3.12Å
243A98.6Very high97.9Very high0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-117.5123.8168.900000108.9G165 Q166 I167 K180 T266G165-A243 PolarHBondContact O-N 3.38Å; Q166-A243 WeakPolarHBondContact CA-O 3.41Å; Q166-A243 HydrophobicContact CG-CB 4.38Å; I167-A243 PolarHBondContact N-O 3.23Å; K180-A243 HydrophobicContact CD-CB 4.04Å; A243-T266 WeakPolarHBondContact CA-O 3.45Å
244F98.6Very high97.9Very high12 Ų1239.5 Ų39.55%0.05320%0.203CC..EExtended strand (participates in β ladder)trans-126.9135.9-175.1171.4-95.4000110.5I167 V250 I254 T266 L267 E268 L269I167-F244 HydrophobicContact CB-CD2 3.85Å; I167-F244 HydrophobicContact CG2-CD2 3.69Å; I167-F244 HydrophobicContact CG2-CE2 3.97Å; I167-F244 WeakPolarHBondContact O-CA 3.23Å; F244-V250 HydrophobicContact CE1-CB 4.32Å; F244-V250 HydrophobicContact CE1-CG1 4.21Å; F244-V250 HydrophobicContact CE2-CB 4.45Å; F244-V250 HydrophobicContact CE2-CG1 3.61Å; F244-V250 HydrophobicContact CZ-CB 3.72Å; F244-V250 HydrophobicContact CZ-CG1 3.36Å; F244-I254 HydrophobicContact CB-CB 4.47Å; F244-I254 HydrophobicContact CB-CG1 4.19Å; F244-I254 HydrophobicContact CB-CG2 3.99Å; F244-I254 HydrophobicContact CD1-CG1 4.29Å; F244-I254 HydrophobicContact CD2-CD1 4.22Å; F244-I254 HydrophobicContact CD2-CG1 3.76Å; F244-I254 HydrophobicContact CE2-CG1 4.21Å; F244-I254 HydrophobicContact CG-CB 4.45Å; F244-I254 HydrophobicContact CG-CG1 3.81Å; F244-I254 HydrophobicContact CG-CG2 4.49Å; F244-T266 PolarHBondContact N-O 3.31Å; F244-L267 HydrophobicContact CB-CD2 4.01Å; F244-L267 HydrophobicContact CD1-CD2 4.26Å; F244-L267 WeakPolarHBondContact O-CA 3.25Å; F244-E268 PolarHBondContact O-N 2.89Å; F244-L269 HydrophobicContact CD1-CD2 3.72Å; F244-L269 HydrophobicContact CE1-CD2 3.66Å
245T98.6Very high97.8Very high10 Ų1043.4 Ų43.46%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-124.9128.7165.9-60.10000108.7I167 P169 M176 K180 E268I167-T245 PolarHBondContact O-N 2.82Å; P169-T245 HydrophobicContact CB-CG2 4.5Å; P169-T245 WeakPolarHBondContact CD-O 3.25Å; P169-T245 HydrophobicContact CG-CG2 3.69Å; M176-T245 HydrophobicContact SD-CG2 4.2Å; K180-T245 WeakPolarHBondContact CE-OG1 3.07Å; K180-T245 PolarHBondContact NZ-OG1 3.28Å; T245-E268 VanDerWaalsContact CA-O 3.23Å; T245-E268 WeakPolarHBondContact CA-O 3.48Å; T245-E268 HydrophobicContact CG2-CB 3.95Å; T245-E268 WeakPolarHBondContact CG2-O 3.34Å; T245-E268 WeakPolarHBondContact OG1-CB 3.49Å
246G97.5Very high97.7Very high23 Ų2348 Ų4824%0.23724%0.242CC..SBendtrans166.1-154.9-176.900000113E268 L269G246-E268 PolarHBondContact N-O 3.18Å; G246-E268 VanDerWaalsContact N-O 3.11Å; G246-L269 CarbonylContact O-C 3.47Å; G246-L269 VanDerWaalsContact O-CA 3.25Å; G246-L269 WeakPolarHBondContact O-CA 3.18Å
247S97Very high97.6Very high47 Ų4749.3 Ų49.333%0.32925%0.246SC..  trans-70.4153.1-177.969.40000112.5E249 V250 G251S247-E249 VanDerWaalsContact C-N 3.31Å; S247-E249 PolarHBondContact O-N 2.79Å; S247-V250 PolarHBondContact O-N 3.07Å; S247-V250 VanDerWaalsContact OG-CG2 3.31Å; S247-V250 WeakPolarHBondContact OG-CG2 3.34Å; S247-V250 PolarHBondContact OG-N 3.47Å; S247-G251 PolarHBondContact O-N 2.92Å
248T97.3Very high97.5Very high10 Ų1040.6 Ų40.66%0.06121%0.208CC..Hα-helixtrans-58.3-42.2178.1-63.70000112.5V250 G251 Q252 L269 G270 Q479T248-V250 PolarHBondContact O-N 3.07Å; T248-G251 PolarHBondContact O-N 2.81Å; T248-Q252 WeakPolarHBondContact O-CG 3.2Å; T248-Q252 PolarHBondContact O-N 2.75Å; T248-L269 HydrophobicContact CG2-CD1 4.47Å; T248-G270 PolarHBondContact OG1-N 3.4Å; T248-Q479 HydrophobicContact CG2-CB 4.04Å; T248-Q479 WeakPolarHBondContact CG2-O 3.27Å; T248-Q479 PolarHBondContact OG1-O 3.3Å
249E96.7Very high97.3Very high148 Ų14841.4 Ų41.469%0.69222%0.221SC*.Hα-helixtrans-60.7-46179.3-64.6164.4177.800111.9S247 Q252 Q253S247-E249 VanDerWaalsContact C-N 3.31Å; S247-E249 PolarHBondContact O-N 2.79Å; E249-Q252 PolarHBondContact O-N 2.87Å; E249-Q253 PolarHBondContact O-N 3.07Å
250V97.4Very high97Very high52 Ų5247.2 Ų47.232%0.31525%0.248SC..Hα-helixtrans-70.3-36.1176.5178.30000110.4F244 S247 T248 Q252 Q253 I254F244-V250 HydrophobicContact CE1-CB 4.32Å; F244-V250 HydrophobicContact CE1-CG1 4.21Å; F244-V250 HydrophobicContact CE2-CB 4.45Å; F244-V250 HydrophobicContact CE2-CG1 3.61Å; F244-V250 HydrophobicContact CZ-CB 3.72Å; F244-V250 HydrophobicContact CZ-CG1 3.36Å; S247-V250 PolarHBondContact O-N 3.07Å; S247-V250 VanDerWaalsContact OG-CG2 3.31Å; S247-V250 WeakPolarHBondContact OG-CG2 3.34Å; S247-V250 PolarHBondContact OG-N 3.47Å; T248-V250 PolarHBondContact O-N 3.07Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 3.12Å; V250-Q253 WeakPolarHBondContact O-CB 3.25Å; V250-Q253 PolarHBondContact O-N 3.04Å; V250-Q253 VanDerWaalsContact O-N 3.07Å; V250-I254 HydrophobicContact CG1-CG1 4.31Å; V250-I254 WeakPolarHBondContact O-CG1 3.32Å; V250-I254 PolarHBondContact O-N 3.1Å
251G97.8Very high96.8Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-56.3-40.8173.700000113.2S247 T248 I254 M255S247-G251 PolarHBondContact O-N 2.92Å; T248-G251 PolarHBondContact O-N 2.81Å; G251-I254 PolarHBondContact O-N 2.82Å; G251-M255 PolarHBondContact O-N 2.66Å
252Q97.1Very high96.7Very high96 Ų9654.9 Ų54.945%0.44928%0.283SS..Hα-helixtrans-63.3-42.8173.9-69.3176.3900111.7T248 E249 V250 M255 Q256T248-Q252 WeakPolarHBondContact O-CG 3.2Å; T248-Q252 PolarHBondContact O-N 2.75Å; E249-Q252 PolarHBondContact O-N 2.87Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 3.12Å; Q252-M255 PolarHBondContact O-N 2.76Å; Q252-Q256 WeakPolarHBondContact O-CG 3.35Å; Q252-Q256 PolarHBondContact O-N 2.72Å
253Q97.5Very high96.6Very high87 Ų8756 Ų5641%0.40729%0.289SS..Hα-helixtrans-61.7-45.2175.2-65.2172.9-4.500111.5E249 V250 M255 Q256 Y257E249-Q253 PolarHBondContact O-N 3.07Å; V250-Q253 WeakPolarHBondContact O-CB 3.25Å; V250-Q253 PolarHBondContact O-N 3.04Å; V250-Q253 VanDerWaalsContact O-N 3.07Å; Q253-M255 VanDerWaalsContact C-N 3.27Å; Q253-M255 PolarHBondContact O-N 2.91Å; Q253-Q256 WeakPolarHBondContact O-CB 3.43Å; Q253-Q256 PolarHBondContact O-N 3.2Å; Q253-Q256 VanDerWaalsContact O-N 3.08Å; Q253-Y257 HydrophobicContact CB-CE2 3.92Å; Q253-Y257 VanDerWaalsContact O-CD2 3.23Å; Q253-Y257 WeakPolarHBondContact O-CD2 3.44Å; Q253-Y257 PolarHBondContact O-N 3.05Å
254I97.5Very high96.5Very high6 Ų659.2 Ų59.23%0.03131%0.31CS..Hα-helixtrans-57.2-41.6175.9-66-64.1000111.3I167 A234 V242 F244 V250 G251 Y257 A258 L267I167-I254 HydrophobicContact CD1-CD1 3.8Å; A234-I254 HydrophobicContact CB-CD1 4Å; V242-I254 HydrophobicContact CG1-CG2 3.79Å; V242-I254 HydrophobicContact CG2-CG2 4.04Å; F244-I254 HydrophobicContact CB-CB 4.47Å; F244-I254 HydrophobicContact CB-CG1 4.19Å; F244-I254 HydrophobicContact CB-CG2 3.99Å; F244-I254 HydrophobicContact CD1-CG1 4.29Å; F244-I254 HydrophobicContact CD2-CD1 4.22Å; F244-I254 HydrophobicContact CD2-CG1 3.76Å; F244-I254 HydrophobicContact CE2-CG1 4.21Å; F244-I254 HydrophobicContact CG-CB 4.45Å; F244-I254 HydrophobicContact CG-CG1 3.81Å; F244-I254 HydrophobicContact CG-CG2 4.49Å; V250-I254 HydrophobicContact CG1-CG1 4.31Å; V250-I254 WeakPolarHBondContact O-CG1 3.32Å; V250-I254 PolarHBondContact O-N 3.1Å; G251-I254 PolarHBondContact O-N 2.82Å; I254-Y257 HydrophobicContact CD1-CD2 4.2Å; I254-Y257 PolarHBondContact O-N 3.46Å; I254-A258 WeakPolarHBondContact O-CB 3.46Å; I254-A258 PolarHBondContact O-N 2.95Å; I254-L267 HydrophobicContact CB-CD2 4.41Å; I254-L267 HydrophobicContact CG2-CD2 4.05Å
255M95.9Very high96.4Very high83 Ų8359.7 Ų59.741%0.40931%0.314SS..Hα-helixtrans-64.7-39.5176.6-167172.7179.200112.3G251 Q252 Q253 A258 T259 V265 L267 I482G251-M255 PolarHBondContact O-N 2.66Å; Q252-M255 PolarHBondContact O-N 2.76Å; Q253-M255 VanDerWaalsContact C-N 3.27Å; Q253-M255 PolarHBondContact O-N 2.91Å; M255-A258 PolarHBondContact O-N 3.46Å; M255-T259 PolarHBondContact O-N 3.35Å; M255-T259 VanDerWaalsContact O-N 3.07Å; M255-T259 PolarHBondContact O-OG1 3.34Å; M255-V265 HydrophobicContact CG-CG2 4.33Å; M255-L267 HydrophobicContact CB-CD1 4.24Å; M255-L267 HydrophobicContact SD-CD1 4.4Å; M255-I482 HydrophobicContact CE-CD1 4.23Å; M255-I482 HydrophobicContact SD-CD1 4.26Å
256Q97Very high96.4Very high125 Ų12559.2 Ų59.258%0.58431%0.311SS*.Hα-helixtrans-63.7-42.6174.7-68.9170.5-2.400111.8Q252 Q253 T259Q252-Q256 WeakPolarHBondContact O-CG 3.35Å; Q252-Q256 PolarHBondContact O-N 2.72Å; Q253-Q256 WeakPolarHBondContact O-CB 3.43Å; Q253-Q256 PolarHBondContact O-N 3.2Å; Q253-Q256 VanDerWaalsContact O-N 3.08Å; Q256-T259 PolarHBondContact O-N 3.26Å
257Y96Very high96.4Very high39 Ų3958.3 Ų58.315%0.15330%0.301CS..Hα-helixtrans-62.1-47.2176-59.6-29.1000112E231 A234 T235 Q253 I254 T259 Q260E231-Y257 HydrophobicContact CB-CE2 4.02Å; E231-Y257 HydrophobicContact CG-CD1 4.42Å; E231-Y257 HydrophobicContact CG-CD2 4.21Å; E231-Y257 HydrophobicContact CG-CE1 4.01Å; E231-Y257 HydrophobicContact CG-CE2 3.81Å; A234-Y257 HydrophobicContact CB-CD2 4.06Å; A234-Y257 HydrophobicContact CB-CG 4.44Å; T235-Y257 HydrophobicContact CG2-CD1 3.77Å; T235-Y257 HydrophobicContact CG2-CG 3.74Å; Q253-Y257 HydrophobicContact CB-CE2 3.92Å; Q253-Y257 VanDerWaalsContact O-CD2 3.23Å; Q253-Y257 WeakPolarHBondContact O-CD2 3.44Å; Q253-Y257 PolarHBondContact O-N 3.05Å; I254-Y257 HydrophobicContact CD1-CD2 4.2Å; I254-Y257 PolarHBondContact O-N 3.46Å; Y257-T259 VanDerWaalsContact C-N 3.26Å; Y257-T259 PolarHBondContact O-N 3.05Å; Y257-Q260 WeakPolarHBondContact O-CB 3.3Å; Y257-Q260 WeakPolarHBondContact O-CG 3.38Å; Y257-Q260 PolarHBondContact O-N 3.27Å; Y257-Q260 VanDerWaalsContact O-N 3.16Å
258A94.4Very high96.5Very high1 Ų156.3 Ų56.31%0.00829%0.286CS..Hα-helixtrans-62.2-32.7178.800000112.9V242 I254 M255 Q260 N261 I262 I263 V265V242-A258 HydrophobicContact CG1-CB 3.96Å; I254-A258 WeakPolarHBondContact O-CB 3.46Å; I254-A258 PolarHBondContact O-N 2.95Å; M255-A258 PolarHBondContact O-N 3.46Å; A258-Q260 PolarHBondContact O-N 3.16Å; A258-N261 PolarHBondContact O-N 3.36Å; A258-N261 VanDerWaalsContact O-N 3.15Å; A258-I262 PolarHBondContact O-N 2.92Å; A258-I263 HydrophobicContact CB-CD1 4.34Å; A258-I263 HydrophobicContact CB-CG1 3.76Å; A258-I263 PolarHBondContact O-N 3.05Å; A258-V265 HydrophobicContact CB-CG1 3.28Å
259T94.7Very high96.5Very high93 Ų9356.2 Ų56.257%0.57129%0.285SS*.Hα-helixtrans-62.9-28.2178.5-57.30000112.2M255 Q256 Y257 N261 I262M255-T259 PolarHBondContact O-N 3.35Å; M255-T259 VanDerWaalsContact O-N 3.07Å; M255-T259 PolarHBondContact O-OG1 3.34Å; Q256-T259 PolarHBondContact O-N 3.26Å; Y257-T259 VanDerWaalsContact C-N 3.26Å; Y257-T259 PolarHBondContact O-N 3.05Å; T259-N261 PolarHBondContact O-N 3.31Å; T259-I262 PolarHBondContact O-N 3.05Å
260Q92.8Very high96.5Very high128 Ų12849.2 Ų49.260%0.59825%0.253SS*.THydrogen-bonded Turntrans-59.6-29.2177.1-60.6-176.318.300112.8Y257 A258Y257-Q260 WeakPolarHBondContact O-CB 3.3Å; Y257-Q260 WeakPolarHBondContact O-CG 3.38Å; Y257-Q260 PolarHBondContact O-N 3.27Å; Y257-Q260 VanDerWaalsContact O-N 3.16Å; A258-Q260 PolarHBondContact O-N 3.16Å
261N93.7Very high96.5Very high36 Ų3646.9 Ų46.919%0.19324%0.239CC..THydrogen-bonded Turntrans-115.23.2-178.8-58.6-40.6000113.1T235 S236 K237 A258 T259 I263T235-N261 VanDerWaalsContact C-ND2 3.27Å; T235-N261 PolarHBondContact O-ND2 3.07Å; S236-N261 PolarHBondContact O-ND2 3.37Å; K237-N261 WeakPolarHBondContact CG-OD1 3.39Å; K237-N261 PolarHBondContact N-ND2 3.44Å; A258-N261 PolarHBondContact O-N 3.36Å; A258-N261 VanDerWaalsContact O-N 3.15Å; T259-N261 PolarHBondContact O-N 3.31Å; N261-I263 HydrophobicContact CB-CG2 4.1Å; N261-I263 PolarHBondContact O-N 2.92Å
262I95.3Very high96.6Very high156 Ų15647 Ų4780%0.824%0.24SC*.THydrogen-bonded Turntrans51.453.5-178.2-44.4180000111A258 T259A258-I262 PolarHBondContact O-N 2.92Å; T259-I262 PolarHBondContact O-N 3.05Å
263I97.1Very high96.6Very high25 Ų2542.5 Ų42.513%0.12822%0.219CC..  trans-107.6146176.864.3176.6000111.4I239 V242 A258 N261I239-I263 HydrophobicContact CD1-CD1 3.63Å; I239-I263 HydrophobicContact CG1-CD1 3.75Å; V242-I263 HydrophobicContact CG1-CD1 4.46Å; A258-I263 HydrophobicContact CB-CD1 4.34Å; A258-I263 HydrophobicContact CB-CG1 3.76Å; A258-I263 PolarHBondContact O-N 3.05Å; N261-I263 HydrophobicContact CB-CG2 4.1Å; N261-I263 PolarHBondContact O-N 2.92Å
264P96.8Very high96.7Very high66 Ų6638.7 Ų38.743%0.42920%0.201SC..  trans-62.5145.2175.325.7-36000112.1L161 A240 K241 V242L161-P264 HydrophobicContact CD1-CG 4.28Å; A240-P264 VanDerWaalsContact O-CD 3.29Å; A240-P264 WeakPolarHBondContact O-CD 3.28Å; K241-P264 HydrophobicContact CB-CG 4.16Å; K241-P264 HydrophobicContact CG-CG 4.47Å; V242-P264 PolarHBondContact N-O 3.48Å
265V97Very high96.8Very high22 Ų2238.4 Ų38.413%0.13320%0.2CC..EExtended strand (participates in β ladder)trans-117144.2173.9-56.50000110.9V242 M255 A258 L267V242-V265 HydrophobicContact CG1-CB 4.36Å; V242-V265 HydrophobicContact CG1-CG1 3.63Å; V242-V265 WeakPolarHBondContact O-CA 3.18Å; M255-V265 HydrophobicContact CG-CG2 4.33Å; A258-V265 HydrophobicContact CB-CG1 3.28Å; V265-L267 HydrophobicContact CB-CD2 4.24Å; V265-L267 HydrophobicContact CB-CG 4.26Å; V265-L267 HydrophobicContact CG2-CD1 4.12Å; V265-L267 HydrophobicContact CG2-CD2 4.44Å; V265-L267 HydrophobicContact CG2-CG 3.98Å
266T98.1Very high96.9Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-116.5126.7157.8-61.50000106.9K241 V242 A243 F244 I482 M490K241-T266 PolarHBondContact NZ-OG1 2.83Å; V242-T266 PolarHBondContact O-N 3.47Å; V242-T266 VanDerWaalsContact O-N 3.12Å; A243-T266 WeakPolarHBondContact CA-O 3.45Å; F244-T266 PolarHBondContact N-O 3.31Å; T266-I482 CarbonylContact C-O 3.53Å; T266-I482 WeakPolarHBondContact CA-O 3.44Å; T266-M490 HydrophobicContact CG2-CE 3.99Å
267L98.2Very high97Very high5 Ų528.5 Ų28.53%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-123.2118.7-175.6-57.6179.4000108.5F244 I254 M255 V265 L269 G481 I482F244-L267 HydrophobicContact CB-CD2 4.01Å; F244-L267 HydrophobicContact CD1-CD2 4.26Å; F244-L267 WeakPolarHBondContact O-CA 3.25Å; I254-L267 HydrophobicContact CB-CD2 4.41Å; I254-L267 HydrophobicContact CG2-CD2 4.05Å; M255-L267 HydrophobicContact CB-CD1 4.24Å; M255-L267 HydrophobicContact SD-CD1 4.4Å; V265-L267 HydrophobicContact CB-CD2 4.24Å; V265-L267 HydrophobicContact CB-CG 4.26Å; V265-L267 HydrophobicContact CG2-CD1 4.12Å; V265-L267 HydrophobicContact CG2-CD2 4.44Å; V265-L267 HydrophobicContact CG2-CG 3.98Å; L267-L269 HydrophobicContact CB-CD1 4.07Å; L267-L269 HydrophobicContact CB-CD2 4.02Å; L267-L269 HydrophobicContact CB-CG 3.95Å; L267-L269 HydrophobicContact CD1-CD1 4.4Å; L267-G481 CarbonylContact O-C 3.4Å; L267-G481 WeakPolarHBondContact O-CA 3.24Å; L267-I482 PolarHBondContact N-O 3.24Å; L267-I482 PolarHBondContact O-N 3Å
268E98.2Very high97.1Very high4 Ų426.9 Ų26.92%0.01915%0.147CC..EExtended strand (participates in β ladder)trans-113103.7170.6-70.8-63.713600107.8F244 T245 G246 F474 G475 E485F244-E268 PolarHBondContact O-N 2.89Å; T245-E268 VanDerWaalsContact CA-O 3.23Å; T245-E268 WeakPolarHBondContact CA-O 3.48Å; T245-E268 HydrophobicContact CG2-CB 3.95Å; T245-E268 WeakPolarHBondContact CG2-O 3.34Å; T245-E268 WeakPolarHBondContact OG1-CB 3.49Å; G246-E268 PolarHBondContact N-O 3.18Å; G246-E268 VanDerWaalsContact N-O 3.11Å; E268-F474 WeakPolarHBondContact OE2-CD1 3.37Å; E268-F474 WeakPolarHBondContact OE2-CE1 3.45Å; E268-G475 WeakPolarHBondContact OE1-CA 3.43Å; E268-G475 WeakPolarHBondContact OE2-CA 3.2Å; E268-E485 HydrophobicContact CG-CG 3.86Å
269L98.3Very high97.4Very high9 Ų927.9 Ų27.95%0.04716%0.155CC..  trans-110.7-167-162.7-52.8179000112.6F244 G246 T248 L267 L436 S480F244-L269 HydrophobicContact CD1-CD2 3.72Å; F244-L269 HydrophobicContact CE1-CD2 3.66Å; G246-L269 CarbonylContact O-C 3.47Å; G246-L269 VanDerWaalsContact O-CA 3.25Å; G246-L269 WeakPolarHBondContact O-CA 3.18Å; T248-L269 HydrophobicContact CG2-CD1 4.47Å; L267-L269 HydrophobicContact CB-CD1 4.07Å; L267-L269 HydrophobicContact CB-CD2 4.02Å; L267-L269 HydrophobicContact CB-CG 3.95Å; L267-L269 HydrophobicContact CD1-CD1 4.4Å; L269-L436 WeakPolarHBondContact O-CD2 3.35Å; L269-S480 PolarHBondContact N-O 3.04Å
270G96.6Very high97.5Very high1 Ų124.4 Ų24.41%0.0113%0.133CC..  trans-66.9168.3-177.300000113.8T248 E408 Y434 S480T248-G270 PolarHBondContact OG1-N 3.4Å; G270-E408 WeakPolarHBondContact CA-OE1 3.32Å; G270-E408 VanDerWaalsContact CA-OE2 3.27Å; G270-E408 WeakPolarHBondContact CA-OE2 3.18Å; G270-Y434 VanDerWaalsContact O-CD1 3.31Å; G270-Y434 WeakPolarHBondContact O-CD1 3.16Å; G270-S480 WeakPolarHBondContact O-CB 3.19Å; G270-S480 PolarHBondContact O-OG 2.92Å
271G97.6Very high97.8Very high3 Ų318.3 Ų18.33%0.03111%0.105CC..  trans-146.6163.7178.800000114.2C307 E408G271-C307 VanDerWaalsContact CA-O 3.3Å; G271-C307 WeakPolarHBondContact CA-O 3.48Å; G271-C307 PolarHBondContact N-O 3.37Å; G271-E408 PolarHBondContact N-OE1 2.72Å; G271-E408 WeakPolarHBondContact O-CB 3.38Å; G271-E408 WeakPolarHBondContact O-CG 3.47Å
272K98.2Very high98Very high2 Ų217.3 Ų17.31%0.00910%0.099CC..  trans-144.559.6172.3-164.557.1177.3-165.40110.1R312 V404 F405 E407 Y434K272-R312 HydrophobicContact CD-CG 4.45Å; K272-R312 HydrophobicContact CG-CG 4.16Å; K272-R312 PolarHBondContact O-NE 3.17Å; K272-R312 PolarHBondContact O-NH2 2.98Å; K272-V404 WeakPolarHBondContact CE-O 3.41Å; K272-V404 PolarHBondContact NZ-O 2.62Å; K272-F405 VanDerWaalsContact CE-O 3.29Å; K272-F405 WeakPolarHBondContact CE-O 3.46Å; K272-F405 WeakPolarHBondContact CG-O 3.12Å; K272-E407 VanDerWaalsContact CD-O 3.26Å; K272-E407 WeakPolarHBondContact CD-O 3.4Å; K272-E407 WeakPolarHBondContact CE-O 3.06Å; K272-E407 PolarHBondContact NZ-O 3.12Å; K272-Y434 HydrophobicContact CB-CD2 3.48Å; K272-Y434 VanDerWaalsContact CB-CD2 3.48Å; K272-Y434 HydrophobicContact CB-CE2 4.12Å; K272-Y434 HydrophobicContact CB-CG 4.15Å
273S98.7Very high98.2Very high2 Ų215.1 Ų15.11%0.0149%0.089CC..  trans-65.4127.2-159.8-50.80000112.5T308 C309 S311 R312 G437 Y465S273-T308 WeakPolarHBondContact OG-CA 3.3Å; S273-T308 PolarHBondContact OG-O 3.44Å; S273-C309 WeakPolarHBondContact CB-O 3.41Å; S273-S311 PolarHBondContact O-N 3.03Å; S273-R312 PolarHBondContact O-N 3.33Å; S273-G437 WeakPolarHBondContact CA-O 3.09Å; S273-G437 WeakPolarHBondContact CB-O 3.32Å; S273-G437 PolarHBondContact OG-O 3.09Å; S273-Y465 WeakPolarHBondContact CB-OH 3.48Å
274P98.8Very high98.2Very high6 Ų620 Ų204%0.03911%0.111CC..EExtended strand (participates in β ladder)trans-74.2144.9170.931.6-32.7000111I276 R312 L314 A429 A438 G439P274-I276 HydrophobicContact CB-CG1 4.48Å; P274-R312 CarbonylContact C-O 3.59Å; P274-R312 WeakPolarHBondContact CA-O 3.44Å; P274-L314 HydrophobicContact CB-CD1 4.44Å; P274-A429 HydrophobicContact CB-CB 3.91Å; P274-A429 HydrophobicContact CG-CB 3.83Å; P274-A438 HydrophobicContact CG-CB 3.92Å; P274-A438 CarbonylContact O-C 3.59Å; P274-A438 VanDerWaalsContact O-CA 3.27Å; P274-A438 WeakPolarHBondContact O-CA 3.24Å; P274-G439 PolarHBondContact O-N 3.08Å
275N98.9Very high98.1Very high1 Ų123.5 Ų23.51%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-132.3109.4176.1-163.215.9000108.3F277 G295 P310 R312 A313 L314 W441N275-F277 HydrophobicContact CB-CE2 4.08Å; N275-F277 VanDerWaalsContact ND2-CZ 3.35Å; N275-F277 WeakPolarHBondContact ND2-CZ 3.22Å; N275-F277 WeakPolarHBondContact O-CD2 3.44Å; N275-F277 WeakPolarHBondContact O-CE2 3.4Å; N275-G295 PolarHBondContact ND2-O 2.76Å; N275-P310 HydrophobicContact CB-CB 3.72Å; N275-P310 WeakPolarHBondContact ND2-CB 3.44Å; N275-R312 PolarHBondContact N-O 3.12Å; N275-A313 WeakPolarHBondContact O-CA 3.43Å; N275-L314 PolarHBondContact O-N 3.05Å; N275-W441 VanDerWaalsContact OD1-CD1 3.26Å; N275-W441 PolarHBondContact OD1-NE1 3.06Å
276I98.9Very high98.2Very high0 Ų025.6 Ų25.60%013%0.132CC..EExtended strand (participates in β ladder)trans-109.2125.6-161.3-49.4176.6000109.9P274 F278 L314 F419 A425 A429 G439 W441 M451 I455P274-I276 HydrophobicContact CB-CG1 4.48Å; I276-F278 HydrophobicContact CG2-CD2 4.16Å; I276-F278 HydrophobicContact CG2-CE2 3.61Å; I276-F278 HydrophobicContact CG2-CZ 4.06Å; I276-L314 CarbonylContact C-O 3.53Å; I276-L314 WeakPolarHBondContact CA-O 3.4Å; I276-L314 HydrophobicContact CD1-CD1 4.44Å; I276-L314 HydrophobicContact CG1-CB 4.33Å; I276-L314 HydrophobicContact CG1-CD1 4.15Å; I276-L314 HydrophobicContact CG1-CG 4.46Å; I276-L314 HydrophobicContact CG2-CB 4.41Å; I276-F419 HydrophobicContact CG2-CE1 3.63Å; I276-F419 HydrophobicContact CG2-CZ 3.73Å; I276-A425 HydrophobicContact CG2-CB 4.16Å; I276-A429 HydrophobicContact CD1-CB 3.79Å; I276-G439 PolarHBondContact N-O 2.84Å; I276-W441 PolarHBondContact O-N 2.89Å; I276-M451 HydrophobicContact CD1-CE 3.29Å; I276-M451 HydrophobicContact CG2-CE 4.3Å; I276-I455 HydrophobicContact CD1-CD1 3.68Å; I276-I455 HydrophobicContact CD1-CG1 4.31Å
277F98.9Very high98.2Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-116.8106.4-177.6-59.5-90.1000110.1N275 A292 F296 A313 L314 V315 Q316 F323 W441N275-F277 HydrophobicContact CB-CE2 4.08Å; N275-F277 VanDerWaalsContact ND2-CZ 3.35Å; N275-F277 WeakPolarHBondContact ND2-CZ 3.22Å; N275-F277 WeakPolarHBondContact O-CD2 3.44Å; N275-F277 WeakPolarHBondContact O-CE2 3.4Å; F277-A292 HydrophobicContact CD1-CB 4.47Å; F277-A292 HydrophobicContact CE1-CB 4.48Å; F277-A292 WeakPolarHBondContact CE1-O 3.06Å; F277-F296 HydrophobicContact CD2-CD2 4.35Å; F277-F296 HydrophobicContact CE1-CB 4.11Å; F277-F296 HydrophobicContact CE2-CB 4.28Å; F277-F296 AromaticContact CE2-CD2 3.77Å; F277-F296 HydrophobicContact CE2-CD2 3.77Å; F277-F296 HydrophobicContact CZ-CB 3.66Å; F277-F296 HydrophobicContact CZ-CD2 4.05Å; F277-F296 HydrophobicContact CZ-CG 4.35Å; F277-A313 HydrophobicContact CE2-CB 4.26Å; F277-L314 PolarHBondContact N-O 2.92Å; F277-V315 HydrophobicContact CB-CG2 4.44Å; F277-V315 HydrophobicContact CD2-CG2 4.17Å; F277-Q316 PolarHBondContact O-N 2.7Å; F277-F323 HydrophobicContact CB-CE2 4.43Å; F277-F323 HydrophobicContact CB-CZ 4.29Å; F277-F323 HydrophobicContact CD1-CE1 4.42Å; F277-F323 AromaticContact CD1-CE2 3.98Å; F277-F323 HydrophobicContact CD1-CE2 3.98Å; F277-F323 AromaticContact CD1-CZ 3.54Å; F277-F323 HydrophobicContact CD1-CZ 3.54Å; F277-F323 HydrophobicContact CD2-CZ 4.43Å; F277-F323 AromaticContact CE1-CZ 3.93Å; F277-F323 HydrophobicContact CE1-CZ 3.93Å; F277-F323 HydrophobicContact CG-CE1 4.32Å; F277-F323 HydrophobicContact CG-CE2 4.35Å; F277-F323 AromaticContact CG-CZ 3.82Å; F277-F323 HydrophobicContact CG-CZ 3.82Å; F277-W441 HydrophobicContact CD1-CB 3.72Å; F277-W441 AromaticContact CD1-CD1 3.59Å; F277-W441 HydrophobicContact CD1-CD2 4.47Å; F277-W441 AromaticContact CD1-CG 3.65Å; F277-W441 HydrophobicContact CD1-CG 3.65Å; F277-W441 HydrophobicContact CE1-CB 4.12Å; F277-W441 AromaticContact CE1-CD1 3.22Å; F277-W441 AromaticContact CE1-CD2 3.99Å; F277-W441 HydrophobicContact CE1-CD2 3.99Å; F277-W441 AromaticContact CE1-CG 3.51Å; F277-W441 HydrophobicContact CE1-CG 3.51Å; F277-W441 AromaticContact CE1-NE1 3.56Å; F277-W441 HydrophobicContact CG-CB 4.46Å; F277-W441 AromaticContact CZ-CD1 3.6Å; F277-W441 HydrophobicContact CZ-CG 4.32Å; F277-W441 AromaticContact CZ-NE1 3.68Å
278F98.9Very high98.2Very high4 Ų431.2 Ų31.22%0.01817%0.172CC..  trans-79.5157.5175.6-74.9-84.6000111.8I276 D280 V281 F419 M422 A425 V440 W441 L447 M451I276-F278 HydrophobicContact CG2-CD2 4.16Å; I276-F278 HydrophobicContact CG2-CE2 3.61Å; I276-F278 HydrophobicContact CG2-CZ 4.06Å; F278-D280 VanDerWaalsContact CB-OD1 3.25Å; F278-D280 WeakPolarHBondContact CB-OD1 3.34Å; F278-D280 PolarHBondContact O-N 3.48Å; F278-D280 VanDerWaalsContact O-N 3.16Å; F278-V281 WeakPolarHBondContact O-CG1 2.89Å; F278-V281 WeakPolarHBondContact O-CG2 3.11Å; F278-V281 PolarHBondContact O-N 3.16Å; F278-V281 VanDerWaalsContact O-N 3.15Å; F278-F419 AromaticContact CD1-CE2 3.77Å; F278-F419 HydrophobicContact CD1-CE2 3.77Å; F278-F419 AromaticContact CD1-CZ 3.82Å; F278-F419 HydrophobicContact CD1-CZ 3.82Å; F278-F419 AromaticContact CE1-CE2 3.52Å; F278-F419 HydrophobicContact CE1-CE2 3.52Å; F278-F419 AromaticContact CE1-CZ 3.8Å; F278-F419 HydrophobicContact CE1-CZ 3.8Å; F278-F419 HydrophobicContact CE2-CZ 4.49Å; F278-F419 HydrophobicContact CG-CZ 4.22Å; F278-F419 HydrophobicContact CZ-CE2 4.15Å; F278-F419 HydrophobicContact CZ-CZ 4.14Å; F278-M422 HydrophobicContact CE1-CB 4.32Å; F278-M422 HydrophobicContact CZ-CG 4.32Å; F278-A425 HydrophobicContact CZ-CB 4.25Å; F278-V440 HydrophobicContact CE2-CG1 4.38Å; F278-W441 PolarHBondContact N-O 3.21Å; F278-W441 VanDerWaalsContact N-O 3.09Å; F278-L447 HydrophobicContact CB-CD2 4.11Å; F278-L447 HydrophobicContact CD1-CD1 4.35Å; F278-L447 HydrophobicContact CD1-CD2 3.62Å; F278-L447 HydrophobicContact CD1-CG 4.29Å; F278-L447 HydrophobicContact CD2-CD2 4.16Å; F278-L447 HydrophobicContact CD2-CG 4.33Å; F278-L447 HydrophobicContact CE1-CD1 3.9Å; F278-L447 HydrophobicContact CE1-CD2 4.04Å; F278-L447 HydrophobicContact CE1-CG 4.28Å; F278-L447 HydrophobicContact CE2-CD1 4.44Å; F278-L447 HydrophobicContact CE2-CG 4.35Å; F278-L447 HydrophobicContact CG-CD2 3.67Å; F278-L447 HydrophobicContact CG-CG 4.3Å; F278-L447 HydrophobicContact CZ-CD1 3.96Å; F278-L447 HydrophobicContact CZ-CG 4.32Å; F278-M451 HydrophobicContact CE2-CE 4.15Å; F278-M451 HydrophobicContact CE2-CG 3.6Å; F278-M451 HydrophobicContact CE2-SD 4.18Å; F278-M451 HydrophobicContact CZ-CE 3.93Å; F278-M451 HydrophobicContact CZ-CG 3.58Å; F278-M451 HydrophobicContact CZ-SD 3.67Å
279A98.8Very high98.2Very high22 Ų2231.5 Ų31.518%0.18217%0.173CC..G310 helixtrans-56.1-34.6-176.100000113.1V281 M282 Q316 I319A279-V281 PolarHBondContact O-N 2.77Å; A279-V281 VanDerWaalsContact O-N 3.15Å; A279-M282 PolarHBondContact O-N 2.64Å; A279-Q316 HydrophobicContact CB-CB 4.44Å; A279-Q316 HydrophobicContact CB-CG 4.44Å; A279-Q316 VanDerWaalsContact CB-OE1 3.27Å; A279-I319 HydrophobicContact CB-CG2 3.68Å
280D98.6Very high98.2Very high21 Ų2134.9 Ų34.911%0.11219%0.191CC..G310 helixtrans-65.9-15.2-176.868.4-27.4000113.5F278 M282 D283 S442 R443 N444F278-D280 VanDerWaalsContact CB-OD1 3.25Å; F278-D280 WeakPolarHBondContact CB-OD1 3.34Å; F278-D280 PolarHBondContact O-N 3.48Å; F278-D280 VanDerWaalsContact O-N 3.16Å; D280-M282 PolarHBondContact O-N 2.83Å; D280-D283 WeakPolarHBondContact CB-OD2 3.16Å; D280-D283 WeakPolarHBondContact O-CB 3.26Å; D280-D283 PolarHBondContact O-N 3.34Å; D280-D283 VanDerWaalsContact O-N 3.14Å; D280-S442 WeakPolarHBondContact OD1-CA 3.04Å; D280-S442 PolarHBondContact OD1-OG 2.84Å; D280-S442 PolarHBondContact OD2-OG 2.95Å; D280-R443 HydrophobicContact CB-CB 4.49Å; D280-R443 WeakPolarHBondContact O-CD 3.37Å; D280-R443 WeakPolarHBondContact O-CG 3.39Å; D280-R443 PolarHBondContact O-NE 3.41Å; D280-R443 WeakPolarHBondContact OD2-CA 3.4Å; D280-R443 PolarHBondContact OD2-N 3.39Å; D280-N444 WeakPolarHBondContact OD2-CB 3.25Å; D280-N444 PolarHBondContact OD2-N 2.85Å
281V98.7Very high98.3Very high0 Ų039 Ų390%021%0.209CC..G310 helixtrans-57.8-29.9169.9-550000111.8F278 A279 F288 F289 A292 I319 F323 W441 R443F278-V281 WeakPolarHBondContact O-CG1 2.89Å; F278-V281 WeakPolarHBondContact O-CG2 3.11Å; F278-V281 PolarHBondContact O-N 3.16Å; F278-V281 VanDerWaalsContact O-N 3.15Å; A279-V281 PolarHBondContact O-N 2.77Å; A279-V281 VanDerWaalsContact O-N 3.15Å; V281-F288 HydrophobicContact CB-CE1 4.23Å; V281-F288 HydrophobicContact CG1-CE1 4.07Å; V281-F289 HydrophobicContact CG2-CD2 4.48Å; V281-A292 HydrophobicContact CB-CB 4.35Å; V281-I319 HydrophobicContact CG2-CD1 3.83Å; V281-F323 HydrophobicContact CG2-CD2 4.11Å; V281-F323 HydrophobicContact CG2-CE2 4.01Å; V281-W441 HydrophobicContact CG1-CB 3.82Å; V281-W441 WeakPolarHBondContact CG1-O 3.36Å; V281-R443 PolarHBondContact O-NH2 2.91Å
282M98.3Very high98.4Very high15 Ų1538.9 Ų38.97%0.07421%0.208CC..G310 helixtrans-98.812.1179.9-64.2-161.371.900114.3A279 D280 E284 F289 I319 R322 F323A279-M282 PolarHBondContact O-N 2.64Å; D280-M282 PolarHBondContact O-N 2.83Å; M282-E284 PolarHBondContact O-N 3.5Å; M282-F289 HydrophobicContact CE-CE1 4.03Å; M282-F289 HydrophobicContact CE-CE2 4.19Å; M282-F289 HydrophobicContact CE-CZ 3.57Å; M282-F289 HydrophobicContact CG-CD2 4.01Å; M282-F289 HydrophobicContact CG-CE2 3.56Å; M282-F289 HydrophobicContact CG-CZ 3.95Å; M282-F289 HydrophobicContact SD-CE2 4.17Å; M282-F289 HydrophobicContact SD-CZ 4.1Å; M282-I319 HydrophobicContact CB-CG2 4.37Å; M282-I319 HydrophobicContact CG-CB 4.44Å; M282-I319 HydrophobicContact CG-CD1 4.08Å; M282-I319 HydrophobicContact SD-CB 3.86Å; M282-I319 HydrophobicContact SD-CD1 4.26Å; M282-I319 HydrophobicContact SD-CG2 4.35Å; M282-R322 HydrophobicContact CE-CB 3.78Å; M282-R322 HydrophobicContact SD-CB 4.13Å; M282-F323 HydrophobicContact CG-CD2 4.26Å; M282-F323 HydrophobicContact SD-CB 3.78Å; M282-F323 HydrophobicContact SD-CD2 4.2Å
283D98.5Very high98.4Very high110 Ų11039.4 Ų39.459%0.58821%0.21SC*.SBendtrans-60.2-33.1174.8-76.3-9.3000111.5D280D280-D283 WeakPolarHBondContact CB-OD2 3.16Å; D280-D283 WeakPolarHBondContact O-CB 3.26Å; D280-D283 PolarHBondContact O-N 3.34Å; D280-D283 VanDerWaalsContact O-N 3.14Å
284E97.5Very high98.4Very high126 Ų12644.2 Ų44.259%0.58923%0.233SC*.SBendtrans-136.4140.5177.3-63.5-65.816800110.3M282 D286 F289 R443M282-E284 PolarHBondContact O-N 3.5Å; E284-D286 HydrophobicContact CB-CB 4.34Å; E284-D286 PolarHBondContact O-N 3.32Å; E284-D286 VanDerWaalsContact O-N 3.09Å; E284-F289 WeakPolarHBondContact O-CB 3.41Å; E284-R443 PolarHBondContact O-NH2 3.35Å
285E95.1Very high98.4Very high140 Ų14044 Ų4465%0.65423%0.231SC*.  trans-85.665.4172.9-66.5-163.8170.800111F289 R326E285-F289 HydrophobicContact CG-CD1 4.34Å; E285-R326 IonicContact OE1-CZ 3.17Å; E285-R326 IonicContact OE1-NE 3.04Å; E285-R326 IonicContact OE1-NH2 2.67Å; E285-R326 PolarHBondContact OE1-NH2 2.78Å
286D97.8Very high98.4Very high67 Ų6743.9 Ų43.936%0.35823%0.231SC..SBendtrans-114.8-171.7-174.568.95000112.9E284 F288 F289 D290 R443E284-D286 HydrophobicContact CB-CB 4.34Å; E284-D286 PolarHBondContact O-N 3.32Å; E284-D286 VanDerWaalsContact O-N 3.09Å; D286-F288 PolarHBondContact O-N 3.07Å; D286-F288 WeakPolarHBondContact OD1-CA 3.34Å; D286-F288 WeakPolarHBondContact OD1-CB 3.28Å; D286-F288 PolarHBondContact OD1-N 2.86Å; D286-F289 PolarHBondContact O-N 3.1Å; D286-F289 VanDerWaalsContact O-N 3.16Å; D286-F289 PolarHBondContact OD1-N 2.86Å; D286-D290 PolarHBondContact O-N 2.73Å; D286-R443 IonicContact OD1-CZ 3.12Å; D286-R443 IonicContact OD1-NH1 3.59Å; D286-R443 PolarHBondContact OD1-NH1 3.44Å; D286-R443 IonicContact OD1-NH2 2.7Å; D286-R443 PolarHBondContact OD1-NH2 2.99Å; D286-R443 IonicContact OD2-CZ 2.62Å; D286-R443 IonicContact OD2-NH1 2.7Å; D286-R443 PolarHBondContact OD2-NH1 2.9Å; D286-R443 IonicContact OD2-NH2 3.5Å; D286-R443 PolarHBondContact OD2-NH2 2.96Å
287A98.4Very high98.4Very high85 Ų8544.5 Ų44.570%0.70224%0.236SC*.Hα-helixtrans-61.3-25.9177.800000113.5K291A287-K291 WeakPolarHBondContact O-CB 3.4Å; A287-K291 PolarHBondContact O-N 3.08Å
288F98.6Very high98.4Very high38 Ų3846.5 Ų46.517%0.16725%0.247CC..Hα-helixtrans-73.4-40.3175.8177.1-98.8000111.2V281 D286 D290 K291 A292 R443 N463V281-F288 HydrophobicContact CB-CE1 4.23Å; V281-F288 HydrophobicContact CG1-CE1 4.07Å; D286-F288 PolarHBondContact O-N 3.07Å; D286-F288 WeakPolarHBondContact OD1-CA 3.34Å; D286-F288 WeakPolarHBondContact OD1-CB 3.28Å; D286-F288 PolarHBondContact OD1-N 2.86Å; F288-D290 VanDerWaalsContact C-N 3.34Å; F288-K291 WeakPolarHBondContact O-CB 3.29Å; F288-K291 PolarHBondContact O-N 2.94Å; F288-A292 PolarHBondContact O-N 3.03Å; F288-R443 HydrophobicContact CD1-CG 3.73Å; F288-R443 VanDerWaalsContact CD1-CZ 3.43Å; F288-R443 HydrophobicContact CE1-CG 3.49Å; F288-R443 VanDerWaalsContact CE1-CG 3.49Å; F288-R443 HydrophobicContact CZ-CG 4.3Å; F288-N463 HydrophobicContact CE2-CB 3.9Å; F288-N463 HydrophobicContact CZ-CB 4.48Å; F288-N463 WeakPolarHBondContact CZ-OD1 3.36Å
289F98.7Very high98.4Very high9 Ų946.3 Ų46.34%0.03925%0.246CC..Hα-helixtrans-63.5-42.6173.9179.6-134.1000111.4V281 M282 E284 E285 D286 K291 A292 L293 F323 R326V281-F289 HydrophobicContact CG2-CD2 4.48Å; M282-F289 HydrophobicContact CE-CE1 4.03Å; M282-F289 HydrophobicContact CE-CE2 4.19Å; M282-F289 HydrophobicContact CE-CZ 3.57Å; M282-F289 HydrophobicContact CG-CD2 4.01Å; M282-F289 HydrophobicContact CG-CE2 3.56Å; M282-F289 HydrophobicContact CG-CZ 3.95Å; M282-F289 HydrophobicContact SD-CE2 4.17Å; M282-F289 HydrophobicContact SD-CZ 4.1Å; E284-F289 WeakPolarHBondContact O-CB 3.41Å; E285-F289 HydrophobicContact CG-CD1 4.34Å; D286-F289 PolarHBondContact O-N 3.1Å; D286-F289 VanDerWaalsContact O-N 3.16Å; D286-F289 PolarHBondContact OD1-N 2.86Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 2.77Å; F289-A292 WeakPolarHBondContact O-CB 3.5Å; F289-A292 PolarHBondContact O-N 3.48Å; F289-A292 VanDerWaalsContact O-N 3.1Å; F289-L293 HydrophobicContact CD1-CD1 4.45Å; F289-L293 HydrophobicContact CD2-CG 4.34Å; F289-L293 HydrophobicContact CE1-CD1 4.02Å; F289-L293 HydrophobicContact CE2-CD1 4.17Å; F289-L293 HydrophobicContact CE2-CD2 3.94Å; F289-L293 HydrophobicContact CE2-CG 3.89Å; F289-L293 HydrophobicContact CZ-CD1 3.85Å; F289-L293 HydrophobicContact CZ-CD2 4.04Å; F289-L293 HydrophobicContact CZ-CG 4.04Å; F289-L293 WeakPolarHBondContact O-CG 3.23Å; F289-L293 PolarHBondContact O-N 3.02Å; F289-F323 AromaticContact CE2-CD2 3.77Å; F289-F323 HydrophobicContact CE2-CD2 3.77Å; F289-F323 AromaticContact CE2-CE2 3.95Å; F289-F323 HydrophobicContact CE2-CE2 3.95Å; F289-R326 VanDerWaalsContact CZ-CD 3.42Å
290D98.6Very high98.4Very high80 Ų8045.5 Ų45.543%0.42824%0.239SC..Hα-helixtrans-57.8-44.1173.7-16478.5000112.2D286 F288 A292 L293 E294 R330D286-D290 PolarHBondContact O-N 2.73Å; F288-D290 VanDerWaalsContact C-N 3.34Å; D290-A292 VanDerWaalsContact C-N 3.33Å; D290-A292 PolarHBondContact O-N 3.23Å; D290-L293 WeakPolarHBondContact O-CB 3.29Å; D290-L293 PolarHBondContact O-N 2.92Å; D290-E294 PolarHBondContact O-N 3.11Å; D290-R330 IonicContact OD1-CZ 2.8Å; D290-R330 IonicContact OD1-NH2 2.75Å; D290-R330 PolarHBondContact OD1-NH2 2.74Å; D290-R330 IonicContact OD2-CZ 2.73Å; D290-R330 IonicContact OD2-NH1 3.25Å; D290-R330 IonicContact OD2-NH2 2.79Å; D290-R330 PolarHBondContact OD2-NH2 3.32Å
291K98.6Very high98.3Very high89 Ų8946.1 Ų46.139%0.38724%0.241SC..Hα-helixtrans-62.3-37174.7-168.8-169.9-174.7-173.50112.6A287 F288 F289 E294 G295 W441 N463A287-K291 WeakPolarHBondContact O-CB 3.4Å; A287-K291 PolarHBondContact O-N 3.08Å; F288-K291 WeakPolarHBondContact O-CB 3.29Å; F288-K291 PolarHBondContact O-N 2.94Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 2.77Å; K291-E294 WeakPolarHBondContact O-CB 3.26Å; K291-E294 PolarHBondContact O-N 3.11Å; K291-G295 PolarHBondContact O-N 2.77Å; K291-W441 HydrophobicContact CD-CZ3 4.31Å; K291-W441 HydrophobicContact CG-CH2 4.43Å; K291-W441 HydrophobicContact CG-CZ3 4.03Å; K291-W441 WeakPolarHBondContact O-CZ3 3.4Å; K291-N463 VanDerWaalsContact CE-O 3.24Å; K291-N463 WeakPolarHBondContact CE-O 3.08Å; K291-N463 PolarHBondContact NZ-O 2.99Å
292A98.8Very high98.3Very high0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-67.5-39175.300000111.6F277 V281 F288 F289 D290 E294 G295 F296 W441F277-A292 HydrophobicContact CD1-CB 4.47Å; F277-A292 HydrophobicContact CE1-CB 4.48Å; F277-A292 WeakPolarHBondContact CE1-O 3.06Å; V281-A292 HydrophobicContact CB-CB 4.35Å; F288-A292 PolarHBondContact O-N 3.03Å; F289-A292 WeakPolarHBondContact O-CB 3.5Å; F289-A292 PolarHBondContact O-N 3.48Å; F289-A292 VanDerWaalsContact O-N 3.1Å; D290-A292 VanDerWaalsContact C-N 3.33Å; D290-A292 PolarHBondContact O-N 3.23Å; A292-E294 VanDerWaalsContact C-N 3.34Å; A292-G295 CarbonylContact O-C 3.58Å; A292-G295 WeakPolarHBondContact O-CA 3.35Å; A292-G295 PolarHBondContact O-N 3.08Å; A292-G295 VanDerWaalsContact O-N 3.17Å; A292-F296 PolarHBondContact O-N 3.26Å; A292-W441 HydrophobicContact CB-CD2 4.34Å; A292-W441 HydrophobicContact CB-CE3 3.85Å; A292-W441 HydrophobicContact CB-CZ3 4.41Å
293L98.8Very high98.3Very high12 Ų1245.4 Ų45.46%0.06324%0.237CC..Hα-helixtrans-64.5-38.3173.1-65.8173000111.9F289 D290 F296 A297 F323 R326 A327 R330F289-L293 HydrophobicContact CD1-CD1 4.45Å; F289-L293 HydrophobicContact CD2-CG 4.34Å; F289-L293 HydrophobicContact CE1-CD1 4.02Å; F289-L293 HydrophobicContact CE2-CD1 4.17Å; F289-L293 HydrophobicContact CE2-CD2 3.94Å; F289-L293 HydrophobicContact CE2-CG 3.89Å; F289-L293 HydrophobicContact CZ-CD1 3.85Å; F289-L293 HydrophobicContact CZ-CD2 4.04Å; F289-L293 HydrophobicContact CZ-CG 4.04Å; F289-L293 WeakPolarHBondContact O-CG 3.23Å; F289-L293 PolarHBondContact O-N 3.02Å; D290-L293 WeakPolarHBondContact O-CB 3.29Å; D290-L293 PolarHBondContact O-N 2.92Å; L293-F296 WeakPolarHBondContact O-CB 3.29Å; L293-F296 PolarHBondContact O-N 2.72Å; L293-A297 PolarHBondContact O-N 3.04Å; L293-A297 VanDerWaalsContact O-N 3.11Å; L293-F323 HydrophobicContact CD2-CD2 4.36Å; L293-F323 HydrophobicContact CD2-CE1 4.46Å; L293-F323 HydrophobicContact CD2-CE2 4Å; L293-F323 HydrophobicContact CD2-CZ 4.05Å; L293-R326 HydrophobicContact CD1-CB 3.88Å; L293-R326 HydrophobicContact CD2-CB 3.99Å; L293-A327 HydrophobicContact CD2-CB 3.98Å; L293-R330 WeakPolarHBondContact O-CD 3.32Å
294E98.6Very high98.3Very high103 Ų10340.2 Ų40.248%0.48121%0.209SC..Hα-helixtrans-60.2-48.5168.4-170.3173.9-126.100111.1D290 K291 A292 F296 A297 L298D290-E294 PolarHBondContact O-N 3.11Å; K291-E294 WeakPolarHBondContact O-CB 3.26Å; K291-E294 PolarHBondContact O-N 3.11Å; A292-E294 VanDerWaalsContact C-N 3.34Å; E294-F296 PolarHBondContact O-N 3.38Å; E294-A297 CarbonylContact O-C 3.58Å; E294-A297 WeakPolarHBondContact O-CA 3.44Å; E294-A297 PolarHBondContact O-N 3.04Å; E294-L298 WeakPolarHBondContact O-CG 3.39Å; E294-L298 PolarHBondContact O-N 3.04Å
295G98.7Very high98.3Very high1 Ų134.2 Ų34.21%0.0118%0.181CC..Hα-helixtrans-52.4-36.217500000114.4N275 K291 A292N275-G295 PolarHBondContact ND2-O 2.76Å; K291-G295 PolarHBondContact O-N 2.77Å; A292-G295 CarbonylContact O-C 3.58Å; A292-G295 WeakPolarHBondContact O-CA 3.35Å; A292-G295 PolarHBondContact O-N 3.08Å; A292-G295 VanDerWaalsContact O-N 3.17Å
296F98.9Very high98.5Very high0 Ų027.7 Ų27.70%015%0.151CC..Hα-helixtrans-68.9-45.6172.2-178.3-84.6000111.6F277 A292 L293 E294 L298 F299 A313 V315 F323 M324 A327 V331 I395 L414 V416F277-F296 HydrophobicContact CD2-CD2 4.35Å; F277-F296 HydrophobicContact CE1-CB 4.11Å; F277-F296 HydrophobicContact CE2-CB 4.28Å; F277-F296 AromaticContact CE2-CD2 3.77Å; F277-F296 HydrophobicContact CE2-CD2 3.77Å; F277-F296 HydrophobicContact CZ-CB 3.66Å; F277-F296 HydrophobicContact CZ-CD2 4.05Å; F277-F296 HydrophobicContact CZ-CG 4.35Å; A292-F296 PolarHBondContact O-N 3.26Å; L293-F296 WeakPolarHBondContact O-CB 3.29Å; L293-F296 PolarHBondContact O-N 2.72Å; E294-F296 PolarHBondContact O-N 3.38Å; F296-L298 PolarHBondContact O-N 3.01Å; F296-F299 WeakPolarHBondContact O-CD1 3.31Å; F296-A313 HydrophobicContact CD2-CB 3.94Å; F296-A313 HydrophobicContact CE2-CB 3.53Å; F296-A313 HydrophobicContact CZ-CB 4.45Å; F296-V315 HydrophobicContact CE2-CG2 4.45Å; F296-F323 HydrophobicContact CB-CE1 4.29Å; F296-F323 HydrophobicContact CB-CZ 4.22Å; F296-F323 AromaticContact CD2-CE1 3.63Å; F296-F323 HydrophobicContact CD2-CE1 3.63Å; F296-F323 HydrophobicContact CD2-CZ 4.27Å; F296-F323 HydrophobicContact CE2-CE1 4.16Å; F296-F323 HydrophobicContact CG-CE1 4.08Å; F296-F323 HydrophobicContact CG-CZ 4.49Å; F296-M324 HydrophobicContact CE2-CE 4.42Å; F296-M324 HydrophobicContact CE2-SD 3.87Å; F296-M324 HydrophobicContact CZ-CE 3.78Å; F296-M324 HydrophobicContact CZ-SD 3.81Å; F296-A327 HydrophobicContact CD1-CB 3.65Å; F296-A327 HydrophobicContact CE1-CB 3.75Å; F296-A327 HydrophobicContact CG-CB 4.06Å; F296-A327 HydrophobicContact CZ-CB 4.23Å; F296-V331 HydrophobicContact CD1-CG2 4.36Å; F296-V331 HydrophobicContact CE1-CG2 4.32Å; F296-I395 HydrophobicContact CE1-CD1 3.85Å; F296-I395 HydrophobicContact CZ-CD1 4.3Å; F296-L414 HydrophobicContact CD1-CD2 4.06Å; F296-L414 HydrophobicContact CD2-CD2 4.23Å; F296-L414 HydrophobicContact CE1-CD2 3.47Å; F296-L414 VanDerWaalsContact CE1-CD2 3.47Å; F296-L414 HydrophobicContact CE2-CD2 3.69Å; F296-L414 HydrophobicContact CG-CD2 4.41Å; F296-L414 HydrophobicContact CZ-CD2 3.27Å; F296-L414 HydrophobicContact CZ-CG 4.49Å; F296-V416 HydrophobicContact CE2-CG2 4.28Å; F296-V416 HydrophobicContact CZ-CG2 3.99Å
297A98.7Very high98.5Very high13 Ų1325.5 Ų25.511%0.10714%0.141CC..Hα-helixtrans-71.9-12.4-178.800000114.4L293 E294 F299 A300 R330 V331L293-A297 PolarHBondContact O-N 3.04Å; L293-A297 VanDerWaalsContact O-N 3.11Å; E294-A297 CarbonylContact O-C 3.58Å; E294-A297 WeakPolarHBondContact O-CA 3.44Å; E294-A297 PolarHBondContact O-N 3.04Å; A297-F299 PolarHBondContact O-N 3.18Å; A297-A300 PolarHBondContact O-N 3.31Å; A297-A300 VanDerWaalsContact O-N 3.08Å; A297-R330 HydrophobicContact CB-CG 4.17Å; A297-V331 HydrophobicContact CB-CG2 4.02Å
298L98.7Very high98.5Very high42 Ų4221.5 Ų21.522%0.2211%0.108CC..G310 helixtrans-63.5-8.2-179.1-79176.7000114.8E294 F296 A300 F301 P310 H466E294-L298 WeakPolarHBondContact O-CG 3.39Å; E294-L298 PolarHBondContact O-N 3.04Å; F296-L298 PolarHBondContact O-N 3.01Å; L298-A300 PolarHBondContact O-N 2.72Å; L298-A300 VanDerWaalsContact O-N 3.15Å; L298-F301 HydrophobicContact CD2-CB 4.43Å; L298-F301 VanDerWaalsContact O-CB 3.27Å; L298-F301 WeakPolarHBondContact O-CB 3.3Å; L298-F301 PolarHBondContact O-N 3.03Å; L298-F301 VanDerWaalsContact O-N 3.08Å; L298-P310 HydrophobicContact CB-CG 4.31Å; L298-H466 PolarHBondContact O-NE2 3.03Å
299F98.7Very high98.5Very high0 Ų020 Ų200%010%0.102CC..G310 helixtrans-61.7-17.4168.280.5-85.6000113.2F296 A297 G304 C309 P310 V331 P393 I395 P412 L414F296-F299 WeakPolarHBondContact O-CD1 3.31Å; A297-F299 PolarHBondContact O-N 3.18Å; F299-G304 WeakPolarHBondContact O-CA 3.41Å; F299-G304 PolarHBondContact O-N 3.37Å; F299-C309 PolarHBondContact O-SG 3.14Å; F299-P310 HydrophobicContact CB-CG 4.2Å; F299-V331 HydrophobicContact CE1-CG1 4.19Å; F299-V331 HydrophobicContact CE1-CG2 3.73Å; F299-V331 HydrophobicContact CZ-CG1 3.86Å; F299-V331 HydrophobicContact CZ-CG2 4.26Å; F299-P393 HydrophobicContact CE2-CB 4.24Å; F299-P393 HydrophobicContact CZ-CB 4.11Å; F299-I395 HydrophobicContact CE1-CG1 4.43Å; F299-I395 HydrophobicContact CZ-CG1 4.13Å; F299-P412 HydrophobicContact CE2-CB 4.46Å; F299-P412 WeakPolarHBondContact CE2-O 3.41Å; F299-L414 HydrophobicContact CB-CB 4.4Å; F299-L414 HydrophobicContact CB-CD1 4.44Å; F299-L414 HydrophobicContact CD1-CB 3.88Å; F299-L414 HydrophobicContact CD1-CD2 3.71Å; F299-L414 HydrophobicContact CD1-CG 4.31Å; F299-L414 HydrophobicContact CD2-CB 3.81Å; F299-L414 HydrophobicContact CE1-CB 4.02Å; F299-L414 HydrophobicContact CE1-CD2 3.93Å; F299-L414 HydrophobicContact CE2-CB 3.96Å; F299-L414 HydrophobicContact CG-CB 3.76Å; F299-L414 HydrophobicContact CG-CD2 4.3Å; F299-L414 HydrophobicContact CG-CG 4.45Å; F299-L414 HydrophobicContact CZ-CB 4.06Å
300A98.3Very high98.5Very high5 Ų519.5 Ų19.54%0.04110%0.1CC..G310 helixtrans-89.5-6.8176.400000113.8A297 L298 N302 Q303 I334 M346A297-A300 PolarHBondContact O-N 3.31Å; A297-A300 VanDerWaalsContact O-N 3.08Å; L298-A300 PolarHBondContact O-N 2.72Å; L298-A300 VanDerWaalsContact O-N 3.15Å; A300-N302 PolarHBondContact O-N 2.87Å; A300-Q303 WeakPolarHBondContact O-CA 3.22Å; A300-Q303 PolarHBondContact O-N 3Å; A300-I334 HydrophobicContact CB-CD1 3.67Å; A300-M346 HydrophobicContact CB-SD 4.07Å
301F98.1Very high98.5Very high34 Ų3416.2 Ų16.215%0.1498%0.083CC..G310 helixtrans-58.6134.3173.9174.2-109.7000109.9E118 F172 L298 Q303 G304 V306 H466E118-F301 HydrophobicContact CB-CE2 4.12Å; E118-F301 HydrophobicContact CG-CD2 4.14Å; E118-F301 HydrophobicContact CG-CE2 3.77Å; F172-F301 HydrophobicContact CE1-CE1 4.12Å; F172-F301 HydrophobicContact CE1-CZ 4.33Å; F172-F301 AromaticContact CZ-CE1 3.86Å; F172-F301 HydrophobicContact CZ-CE1 3.86Å; F172-F301 HydrophobicContact CZ-CZ 4.5Å; L298-F301 HydrophobicContact CD2-CB 4.43Å; L298-F301 VanDerWaalsContact O-CB 3.27Å; L298-F301 WeakPolarHBondContact O-CB 3.3Å; L298-F301 PolarHBondContact O-N 3.03Å; L298-F301 VanDerWaalsContact O-N 3.08Å; F301-Q303 PolarHBondContact O-N 3.08Å; F301-G304 PolarHBondContact O-N 3.4Å; F301-V306 HydrophobicContact CD1-CG2 3.94Å; F301-V306 HydrophobicContact CE1-CG2 4.39Å; F301-V306 WeakPolarHBondContact O-CG2 3.36Å; F301-H466 HydrophobicContact CD1-CB 4.41Å; F301-H466 AromaticContact CD1-CD2 3.6Å; F301-H466 AromaticContact CD1-CG 3.9Å; F301-H466 AromaticContact CD1-NE2 3.92Å; F301-H466 AromaticContact CG-CD2 3.92Å
302N97.8Very high98.5Very high0 Ų012 Ų120%07%0.065CC..G310 helixtrans49.837.2-171.5-164.747.2000112.8N112 K114 E118 N171 F172 A300 G304 E305 V306N112-N302 PolarHBondContact OD1-OD1 3.05Å; K114-N302 WeakPolarHBondContact CB-OD1 3.49Å; K114-N302 VanDerWaalsContact CD-OD1 3.26Å; K114-N302 WeakPolarHBondContact CD-OD1 3.31Å; K114-N302 WeakPolarHBondContact CE-OD1 3.49Å; K114-N302 PolarHBondContact NZ-OD1 3.28Å; E118-N302 PolarHBondContact OE1-N 3.35Å; E118-N302 VanDerWaalsContact OE2-CA 3.22Å; E118-N302 WeakPolarHBondContact OE2-CA 3.25Å; E118-N302 PolarHBondContact OE2-N 2.81Å; N171-N302 PolarHBondContact O-ND2 3.07Å; F172-N302 HydrophobicContact CE1-CB 4.5Å; F172-N302 HydrophobicContact CZ-CB 3.98Å; A300-N302 PolarHBondContact O-N 2.87Å; N302-G304 PolarHBondContact O-N 3.31Å; N302-E305 PolarHBondContact ND2-O 3.3Å; N302-E305 WeakPolarHBondContact O-CB 3.02Å; N302-E305 PolarHBondContact O-N 3.02Å; N302-V306 HydrophobicContact CB-CG2 3.67Å
303Q98Very high98.5Very high0 Ų012 Ų120%07%0.065CC..G310 helixtrans52.528.3-175.3-50.576.2-85.400113.4G113 K114 A300 F301 E305 M346 G347 A348 Q349 G411 P412G113-Q303 VanDerWaalsContact C-NE2 3.31Å; G113-Q303 PolarHBondContact O-NE2 3.41Å; K114-Q303 VanDerWaalsContact CA-NE2 3.25Å; A300-Q303 WeakPolarHBondContact O-CA 3.22Å; A300-Q303 PolarHBondContact O-N 3Å; F301-Q303 PolarHBondContact O-N 3.08Å; Q303-E305 PolarHBondContact O-N 3.16Å; Q303-M346 HydrophobicContact CB-CG 4.12Å; Q303-M346 HydrophobicContact CG-CG 3.72Å; Q303-G347 VanDerWaalsContact CG-C 3.42Å; Q303-G347 VanDerWaalsContact CG-N 3.34Å; Q303-G347 WeakPolarHBondContact CG-O 3.39Å; Q303-A348 PolarHBondContact NE2-O 2.87Å; Q303-Q349 VanDerWaalsContact CB-NE2 3.29Å; Q303-G411 CarbonylContact O-C 3.23Å; Q303-G411 WeakPolarHBondContact O-CA 3.43Å; Q303-P412 WeakPolarHBondContact O-CB 3.45Å; Q303-P412 WeakPolarHBondContact O-CD 3.47Å; Q303-P412 WeakPolarHBondContact O-CG 3.25Å
304G98.4Very high98.5Very high0 Ų011.4 Ų11.40%06%0.062CC..G310 helixtrans74.44.3-177.400000115.3F299 F301 N302 V306 F410 G411F299-G304 WeakPolarHBondContact O-CA 3.41Å; F299-G304 PolarHBondContact O-N 3.37Å; F301-G304 PolarHBondContact O-N 3.4Å; N302-G304 PolarHBondContact O-N 3.31Å; G304-V306 PolarHBondContact O-N 3.05Å; G304-F410 CarbonylContact O-C 3.6Å; G304-G411 PolarHBondContact O-N 3.49Å
305E98.7Very high98.5Very high0 Ų06.5 Ų6.50%04%0.039CC..  trans-80.558.3175.3-62.2179.6146.800110.3W170 N171 N302 Q303 Q349 V350 Q354 F410W170-E305 HydrophobicContact CH2-CB 3.8Å; W170-E305 HydrophobicContact CH2-CG 3.75Å; W170-E305 HydrophobicContact CZ3-CB 3.67Å; W170-E305 HydrophobicContact CZ3-CG 3.88Å; W170-E305 VanDerWaalsContact CZ3-OE2 3.32Å; W170-E305 WeakPolarHBondContact CZ3-OE2 3.37Å; N171-E305 VanDerWaalsContact CB-O 3.28Å; N171-E305 WeakPolarHBondContact CB-O 3.41Å; N171-E305 PolarHBondContact ND2-O 3.02Å; N302-E305 PolarHBondContact ND2-O 3.3Å; N302-E305 WeakPolarHBondContact O-CB 3.02Å; N302-E305 PolarHBondContact O-N 3.02Å; Q303-E305 PolarHBondContact O-N 3.16Å; E305-Q349 WeakPolarHBondContact OE1-CA 3.16Å; E305-Q349 PolarHBondContact OE1-OE1 3.48Å; E305-V350 PolarHBondContact OE1-N 3.09Å; E305-V350 PolarHBondContact OE2-N 3.03Å; E305-Q354 WeakPolarHBondContact OE1-CG 3.27Å; E305-F410 HydrophobicContact CB-CD1 3.88Å; E305-F410 HydrophobicContact CB-CE1 3.82Å; E305-F410 HydrophobicContact CG-CD1 4.21Å; E305-F410 WeakPolarHBondContact CG-O 3.37Å
306V98.6Very high98.5Very high3 Ų38.2 Ų8.22%0.0185%0.046CC..  trans-132.3127.4-175.9-171.30000109.3F172 F301 N302 G304 T308 C309 Y468F172-V306 HydrophobicContact CE2-CB 4.29Å; F172-V306 HydrophobicContact CE2-CG1 3.98Å; F172-V306 HydrophobicContact CE2-CG2 3.95Å; F172-V306 HydrophobicContact CZ-CG1 4.26Å; F172-V306 HydrophobicContact CZ-CG2 3.84Å; F301-V306 HydrophobicContact CD1-CG2 3.94Å; F301-V306 HydrophobicContact CE1-CG2 4.39Å; F301-V306 WeakPolarHBondContact O-CG2 3.36Å; N302-V306 HydrophobicContact CB-CG2 3.67Å; G304-V306 PolarHBondContact O-N 3.05Å; V306-T308 PolarHBondContact O-N 3.01Å; V306-T308 VanDerWaalsContact O-N 3.14Å; V306-C309 HydrophobicContact CB-CB 4.03Å; V306-C309 WeakPolarHBondContact O-CB 3.39Å; V306-C309 PolarHBondContact O-N 2.77Å; V306-Y468 WeakPolarHBondContact CG1-OH 3.17Å
307C98.1Very high98.5Very high22 Ų2212.8 Ų12.815%0.1497%0.068CC..THydrogen-bonded Turntrans-59.5-28.8179.154.60000113G271 F410 L436G271-C307 VanDerWaalsContact CA-O 3.3Å; G271-C307 WeakPolarHBondContact CA-O 3.48Å; G271-C307 PolarHBondContact N-O 3.37Å; C307-F410 HydrophobicContact CB-CE2 4.31Å; C307-L436 HydrophobicContact CB-CD2 3.57Å
308T98.4Very high98.5Very high0 Ų016 Ų160%09%0.09CC..THydrogen-bonded Turntrans-100.413.3173.553.70000113.7S273 V306 L436 W461 Y465 Y468 F474S273-T308 WeakPolarHBondContact OG-CA 3.3Å; S273-T308 PolarHBondContact OG-O 3.44Å; V306-T308 PolarHBondContact O-N 3.01Å; V306-T308 VanDerWaalsContact O-N 3.14Å; T308-L436 HydrophobicContact CG2-CB 4.17Å; T308-L436 HydrophobicContact CG2-CD2 3.48Å; T308-L436 VanDerWaalsContact CG2-CD2 3.48Å; T308-L436 HydrophobicContact CG2-CG 3.48Å; T308-L436 VanDerWaalsContact CG2-CG 3.48Å; T308-W461 HydrophobicContact CG2-CH2 3.87Å; T308-W461 HydrophobicContact CG2-CZ3 4.2Å; T308-Y465 VanDerWaalsContact O-CE1 3.29Å; T308-Y465 WeakPolarHBondContact O-CE1 3.2Å; T308-Y465 PolarHBondContact O-OH 2.7Å; T308-Y468 PolarHBondContact OG1-OH 3.39Å; T308-F474 HydrophobicContact CG2-CE2 3.71Å; T308-F474 HydrophobicContact CG2-CZ 3.62Å
309C98.6Very high98.5Very high6 Ų614.3 Ų14.34%0.0418%0.081CC..  trans-44.5127.6177.5179.70000110.4S273 F299 V306 S311S273-C309 WeakPolarHBondContact CB-O 3.41Å; F299-C309 PolarHBondContact O-SG 3.14Å; V306-C309 HydrophobicContact CB-CB 4.03Å; V306-C309 WeakPolarHBondContact O-CB 3.39Å; V306-C309 PolarHBondContact O-N 2.77Å; C309-S311 PolarHBondContact O-N 2.9Å; C309-S311 PolarHBondContact O-OG 3.37Å
310P98.6Very high98.6Very high0 Ų015.6 Ų15.60%09%0.086CC..  trans-71.458.8177.729.9-34.1000110.7N275 L298 F299 R312 L414 Y465 H466N275-P310 HydrophobicContact CB-CB 3.72Å; N275-P310 WeakPolarHBondContact ND2-CB 3.44Å; L298-P310 HydrophobicContact CB-CG 4.31Å; F299-P310 HydrophobicContact CB-CG 4.2Å; P310-R312 VanDerWaalsContact C-N 3.28Å; P310-R312 PolarHBondContact O-N 3.48Å; P310-L414 WeakPolarHBondContact O-CD1 3.49Å; P310-Y465 HydrophobicContact CB-CD1 4.31Å; P310-Y465 HydrophobicContact CB-CD2 4.46Å; P310-Y465 HydrophobicContact CB-CE1 3.79Å; P310-Y465 HydrophobicContact CB-CE2 3.88Å; P310-Y465 HydrophobicContact CG-CD1 4.06Å; P310-Y465 HydrophobicContact CG-CE1 3.84Å; P310-H466 WeakPolarHBondContact CD-NE2 3.23Å
311S98.6Very high98.6Very high11 Ų1122.3 Ų22.38%0.07712%0.116CC..  trans-84.21-166.649.40000113.8S273 C309 A415S273-S311 PolarHBondContact O-N 3.03Å; C309-S311 PolarHBondContact O-N 2.9Å; C309-S311 PolarHBondContact O-OG 3.37Å; S311-A415 PolarHBondContact O-N 2.74Å
312R98.8Very high98.6Very high0 Ų026.2 Ų26.20%013%0.13CC..EExtended strand (participates in β ladder)trans-122.8114.7163.5-71.5-167.3-69.8154.48.1109.7K272 S273 P274 N275 P310 N400 F405 A415 L428 A429K272-R312 HydrophobicContact CD-CG 4.45Å; K272-R312 HydrophobicContact CG-CG 4.16Å; K272-R312 PolarHBondContact O-NE 3.17Å; K272-R312 PolarHBondContact O-NH2 2.98Å; S273-R312 PolarHBondContact O-N 3.33Å; P274-R312 CarbonylContact C-O 3.59Å; P274-R312 WeakPolarHBondContact CA-O 3.44Å; N275-R312 PolarHBondContact N-O 3.12Å; P310-R312 VanDerWaalsContact C-N 3.28Å; P310-R312 PolarHBondContact O-N 3.48Å; R312-N400 PolarHBondContact NH1-OD1 3.19Å; R312-F405 VanDerWaalsContact CD-O 3.25Å; R312-F405 WeakPolarHBondContact CD-O 3.48Å; R312-F405 HydrophobicContact CG-CD1 4.11Å; R312-A415 CarbonylContact C-O 3.52Å; R312-A415 VanDerWaalsContact CA-O 3.27Å; R312-A415 WeakPolarHBondContact CA-O 3.49Å; R312-L428 PolarHBondContact NH1-O 3Å; R312-A429 PolarHBondContact NH2-O 2.75Å
313A98.9Very high98.6Very high0 Ų026.2 Ų26.20%013%0.13CC..EExtended strand (participates in β ladder)trans-97.3127.4169.400000110.5N275 F277 F296 L414 A415 V416 T417N275-A313 WeakPolarHBondContact O-CA 3.43Å; F277-A313 HydrophobicContact CE2-CB 4.26Å; F296-A313 HydrophobicContact CD2-CB 3.94Å; F296-A313 HydrophobicContact CE2-CB 3.53Å; F296-A313 HydrophobicContact CZ-CB 4.45Å; A313-L414 HydrophobicContact CB-CD1 3.94Å; A313-L414 HydrophobicContact CB-CD2 4.06Å; A313-L414 HydrophobicContact CB-CG 4.24Å; A313-A415 PolarHBondContact N-O 3.47Å; A313-V416 HydrophobicContact CB-CG1 4.42Å; A313-V416 HydrophobicContact CB-CG2 4.16Å; A313-V416 WeakPolarHBondContact O-CA 3.33Å; A313-T417 PolarHBondContact O-N 3.36Å
314L98.9Very high98.7Very high0 Ų026.5 Ų26.50%013%0.131CC..EExtended strand (participates in β ladder)trans-109.2114.3171.7-50.8-174000106.6P274 N275 I276 F277 T417 F419 L428 A429P274-L314 HydrophobicContact CB-CD1 4.44Å; N275-L314 PolarHBondContact O-N 3.05Å; I276-L314 CarbonylContact C-O 3.53Å; I276-L314 WeakPolarHBondContact CA-O 3.4Å; I276-L314 HydrophobicContact CD1-CD1 4.44Å; I276-L314 HydrophobicContact CG1-CB 4.33Å; I276-L314 HydrophobicContact CG1-CD1 4.15Å; I276-L314 HydrophobicContact CG1-CG 4.46Å; I276-L314 HydrophobicContact CG2-CB 4.41Å; F277-L314 PolarHBondContact N-O 2.92Å; L314-T417 HydrophobicContact CD2-CG2 3.48Å; L314-T417 VanDerWaalsContact CD2-CG2 3.48Å; L314-F419 HydrophobicContact CB-CD1 3.8Å; L314-F419 HydrophobicContact CB-CE1 4.08Å; L314-F419 WeakPolarHBondContact O-CE1 3.48Å; L314-L428 HydrophobicContact CD1-CB 3.76Å; L314-L428 HydrophobicContact CD2-CB 4.44Å; L314-A429 HydrophobicContact CD1-CB 4.17Å
315V98.9Very high98.7Very high0 Ų030.7 Ų30.70%015%0.151CC..EExtended strand (participates in β ladder)trans-113.4132.3-177.6-177.40000109.3F277 F296 E317 I319 Y320 F323 M324 V416 T417 T418 F419F277-V315 HydrophobicContact CB-CG2 4.44Å; F277-V315 HydrophobicContact CD2-CG2 4.17Å; F296-V315 HydrophobicContact CE2-CG2 4.45Å; V315-E317 PolarHBondContact O-N 2.92Å; V315-I319 HydrophobicContact CG1-CD1 4.2Å; V315-I319 HydrophobicContact CG1-CG1 4.04Å; V315-Y320 HydrophobicContact CB-CD2 4.35Å; V315-F323 HydrophobicContact CG1-CB 4.2Å; V315-F323 HydrophobicContact CG1-CD1 3.97Å; V315-F323 HydrophobicContact CG1-CG 4.12Å; V315-F323 HydrophobicContact CG2-CD1 4.13Å; V315-F323 HydrophobicContact CG2-CE1 4.21Å; V315-M324 HydrophobicContact CG2-SD 4.33Å; V315-V416 HydrophobicContact CG2-CG1 4.39Å; V315-T417 PolarHBondContact N-O 2.93Å; V315-T418 WeakPolarHBondContact O-CA 3.06Å; V315-T418 WeakPolarHBondContact O-CB 3.27Å; V315-F419 PolarHBondContact O-N 3.35Å
316Q98.9Very high98.7Very high36 Ų3633.7 Ų33.717%0.16816%0.162CC..EExtended strand (participates in β ladder)trans-63.5130.1-179.4-163.3166.39.100110.9F277 A279 S318 I319 Y320 F419 K420F277-Q316 PolarHBondContact O-N 2.7Å; A279-Q316 HydrophobicContact CB-CB 4.44Å; A279-Q316 HydrophobicContact CB-CG 4.44Å; A279-Q316 VanDerWaalsContact CB-OE1 3.27Å; Q316-S318 PolarHBondContact O-N 3.43Å; Q316-S318 VanDerWaalsContact O-N 3.1Å; Q316-I319 HydrophobicContact CB-CG1 4.36Å; Q316-I319 WeakPolarHBondContact O-CG1 3.24Å; Q316-I319 PolarHBondContact O-N 3.44Å; Q316-Y320 PolarHBondContact O-N 2.98Å; Q316-F419 CarbonylContact C-O 3.57Å; Q316-F419 VanDerWaalsContact CA-O 3.32Å; Q316-F419 WeakPolarHBondContact CA-O 3.34Å; Q316-F419 HydrophobicContact CB-CD2 4.41Å; Q316-F419 HydrophobicContact CB-CE1 4.1Å; Q316-F419 HydrophobicContact CB-CE2 3.77Å; Q316-F419 HydrophobicContact CB-CZ 3.62Å; Q316-F419 HydrophobicContact CG-CD2 4.16Å; Q316-F419 HydrophobicContact CG-CE2 3.72Å; Q316-F419 HydrophobicContact CG-CZ 4.12Å; Q316-F419 VanDerWaalsContact N-CE1 3.34Å; Q316-K420 PolarHBondContact NE2-O 3.03Å
317E98.8Very high98.7Very high96 Ų9633.6 Ų33.645%0.44916%0.161SC..G310 helixtrans-54.3-38-168.5-171.9-174.6-12200112.5V315 I319 Y320 F419 K420V315-E317 PolarHBondContact O-N 2.92Å; E317-I319 PolarHBondContact O-N 3.38Å; E317-I319 VanDerWaalsContact O-N 3.14Å; E317-Y320 WeakPolarHBondContact O-CB 3.35Å; E317-Y320 PolarHBondContact O-N 3.38Å; E317-F419 PolarHBondContact N-O 3.01Å; E317-K420 HydrophobicContact CB-CG 4.3Å; E317-K420 VanDerWaalsContact CD-CE 3.49Å; E317-K420 VanDerWaalsContact OE1-CE 3.24Å; E317-K420 WeakPolarHBondContact OE1-CE 3.25Å; E317-K420 IonicContact OE1-NZ 3.84Å; E317-K420 WeakPolarHBondContact OE2-CE 3.45Å; E317-K420 WeakPolarHBondContact OE2-CG 3.25Å; E317-K420 IonicContact OE2-NZ 3.93Å
318S98.7Very high98.7Very high82 Ų8234 Ų3457%0.57316%0.162SC*.G310 helixtrans-64.6-17.5-179590000115Q316Q316-S318 PolarHBondContact O-N 3.43Å; Q316-S318 VanDerWaalsContact O-N 3.1Å
319I98.7Very high98.7Very high5 Ų541.2 Ų41.23%0.02619%0.189CC..G310 helixtrans-114.9-5.917764.5158000113.3A279 V281 M282 V315 Q316 E317 E321 R322 F323A279-I319 HydrophobicContact CB-CG2 3.68Å; V281-I319 HydrophobicContact CG2-CD1 3.83Å; M282-I319 HydrophobicContact CB-CG2 4.37Å; M282-I319 HydrophobicContact CG-CB 4.44Å; M282-I319 HydrophobicContact CG-CD1 4.08Å; M282-I319 HydrophobicContact SD-CB 3.86Å; M282-I319 HydrophobicContact SD-CD1 4.26Å; M282-I319 HydrophobicContact SD-CG2 4.35Å; V315-I319 HydrophobicContact CG1-CD1 4.2Å; V315-I319 HydrophobicContact CG1-CG1 4.04Å; Q316-I319 HydrophobicContact CB-CG1 4.36Å; Q316-I319 WeakPolarHBondContact O-CG1 3.24Å; Q316-I319 PolarHBondContact O-N 3.44Å; E317-I319 PolarHBondContact O-N 3.38Å; E317-I319 VanDerWaalsContact O-N 3.14Å; I319-E321 PolarHBondContact O-N 3.32Å; I319-R322 PolarHBondContact O-N 2.87Å; I319-F323 HydrophobicContact CD1-CB 4.21Å; I319-F323 HydrophobicContact CD1-CD2 4.05Å; I319-F323 HydrophobicContact CD1-CG 4.33Å; I319-F323 HydrophobicContact CG1-CB 4.43Å; I319-F323 VanDerWaalsContact O-CB 3.27Å; I319-F323 WeakPolarHBondContact O-CB 3.37Å; I319-F323 PolarHBondContact O-N 3.49Å
320Y98.9Very high98.7Very high28 Ų2843.9 Ų43.911%0.1120%0.198CC..Hα-helixtrans-47.9-58.3-168.1173.6-99.9000113V315 Q316 E317 R322 F323 M324 F397 V416 T418V315-Y320 HydrophobicContact CB-CD2 4.35Å; Q316-Y320 PolarHBondContact O-N 2.98Å; E317-Y320 WeakPolarHBondContact O-CB 3.35Å; E317-Y320 PolarHBondContact O-N 3.38Å; Y320-R322 PolarHBondContact O-N 3.34Å; Y320-F323 PolarHBondContact O-N 3.2Å; Y320-M324 HydrophobicContact CD2-CG 3.61Å; Y320-M324 HydrophobicContact CE1-CG 4.43Å; Y320-M324 HydrophobicContact CE2-CG 3.38Å; Y320-M324 HydrophobicContact CE2-SD 4.26Å; Y320-M324 HydrophobicContact CG-CG 4.25Å; Y320-M324 VanDerWaalsContact O-CB 3.26Å; Y320-M324 WeakPolarHBondContact O-CB 3.48Å; Y320-M324 VanDerWaalsContact O-CG 3.27Å; Y320-M324 WeakPolarHBondContact O-CG 3.39Å; Y320-M324 PolarHBondContact O-N 3.11Å; Y320-F397 HydrophobicContact CE1-CE2 4.44Å; Y320-F397 AromaticContact CE2-CD2 3.85Å; Y320-F397 HydrophobicContact CE2-CD2 3.85Å; Y320-F397 AromaticContact CE2-CE2 3.69Å; Y320-F397 HydrophobicContact CE2-CE2 3.69Å; Y320-F397 AromaticContact CZ-CD2 3.69Å; Y320-F397 AromaticContact CZ-CE2 3.61Å; Y320-F397 WeakPolarHBondContact OH-CD2 3.48Å; Y320-F397 WeakPolarHBondContact OH-CE2 3.45Å; Y320-V416 HydrophobicContact CE2-CG1 4.2Å; Y320-T418 HydrophobicContact CD1-CG2 4.48Å; Y320-T418 HydrophobicContact CD2-CG2 3.32Å; Y320-T418 HydrophobicContact CE2-CG2 3.94Å; Y320-T418 HydrophobicContact CG-CG2 3.64Å
321E98.6Very high98.7Very high146 Ų14643.9 Ų43.968%0.68220%0.198SC*.Hα-helixtrans-56.9-50.8-176.5-65.2-61.6155.400112.3I319 F323 E325I319-E321 PolarHBondContact O-N 3.32Å; E321-F323 PolarHBondContact O-N 3.48Å; E321-E325 WeakPolarHBondContact O-CB 3.49Å; E321-E325 PolarHBondContact O-N 3.33Å; E321-E325 VanDerWaalsContact O-N 3.08Å
322R98.5Very high98.7Very high116 Ų11648.8 Ų48.844%0.43822%0.22SC..Hα-helixtrans-69-35.9-177.3-65.3-175.7-67.4121.30.3112.3M282 I319 Y320 R326M282-R322 HydrophobicContact CE-CB 3.78Å; M282-R322 HydrophobicContact SD-CB 4.13Å; I319-R322 PolarHBondContact O-N 2.87Å; Y320-R322 PolarHBondContact O-N 3.34Å; R322-R326 PolarHBondContact O-NH1 3.26Å
323F98.8Very high98.7Very high0 Ų052.3 Ų52.30%025%0.245CC..Hα-helixtrans-69.9-50.8178.3-175.2-86.8000110.4F277 V281 M282 F289 L293 F296 V315 I319 Y320 E321 E325 R326 A327F277-F323 HydrophobicContact CB-CE2 4.43Å; F277-F323 HydrophobicContact CB-CZ 4.29Å; F277-F323 HydrophobicContact CD1-CE1 4.42Å; F277-F323 AromaticContact CD1-CE2 3.98Å; F277-F323 HydrophobicContact CD1-CE2 3.98Å; F277-F323 AromaticContact CD1-CZ 3.54Å; F277-F323 HydrophobicContact CD1-CZ 3.54Å; F277-F323 HydrophobicContact CD2-CZ 4.43Å; F277-F323 AromaticContact CE1-CZ 3.93Å; F277-F323 HydrophobicContact CE1-CZ 3.93Å; F277-F323 HydrophobicContact CG-CE1 4.32Å; F277-F323 HydrophobicContact CG-CE2 4.35Å; F277-F323 AromaticContact CG-CZ 3.82Å; F277-F323 HydrophobicContact CG-CZ 3.82Å; V281-F323 HydrophobicContact CG2-CD2 4.11Å; V281-F323 HydrophobicContact CG2-CE2 4.01Å; M282-F323 HydrophobicContact CG-CD2 4.26Å; M282-F323 HydrophobicContact SD-CB 3.78Å; M282-F323 HydrophobicContact SD-CD2 4.2Å; F289-F323 AromaticContact CE2-CD2 3.77Å; F289-F323 HydrophobicContact CE2-CD2 3.77Å; F289-F323 AromaticContact CE2-CE2 3.95Å; F289-F323 HydrophobicContact CE2-CE2 3.95Å; L293-F323 HydrophobicContact CD2-CD2 4.36Å; L293-F323 HydrophobicContact CD2-CE1 4.46Å; L293-F323 HydrophobicContact CD2-CE2 4Å; L293-F323 HydrophobicContact CD2-CZ 4.05Å; F296-F323 HydrophobicContact CB-CE1 4.29Å; F296-F323 HydrophobicContact CB-CZ 4.22Å; F296-F323 AromaticContact CD2-CE1 3.63Å; F296-F323 HydrophobicContact CD2-CE1 3.63Å; F296-F323 HydrophobicContact CD2-CZ 4.27Å; F296-F323 HydrophobicContact CE2-CE1 4.16Å; F296-F323 HydrophobicContact CG-CE1 4.08Å; F296-F323 HydrophobicContact CG-CZ 4.49Å; V315-F323 HydrophobicContact CG1-CB 4.2Å; V315-F323 HydrophobicContact CG1-CD1 3.97Å; V315-F323 HydrophobicContact CG1-CG 4.12Å; V315-F323 HydrophobicContact CG2-CD1 4.13Å; V315-F323 HydrophobicContact CG2-CE1 4.21Å; I319-F323 HydrophobicContact CD1-CB 4.21Å; I319-F323 HydrophobicContact CD1-CD2 4.05Å; I319-F323 HydrophobicContact CD1-CG 4.33Å; I319-F323 HydrophobicContact CG1-CB 4.43Å; I319-F323 VanDerWaalsContact O-CB 3.27Å; I319-F323 WeakPolarHBondContact O-CB 3.37Å; I319-F323 PolarHBondContact O-N 3.49Å; Y320-F323 PolarHBondContact O-N 3.2Å; E321-F323 PolarHBondContact O-N 3.48Å; F323-E325 PolarHBondContact O-N 2.89Å; F323-R326 PolarHBondContact O-N 3.41Å; F323-R326 VanDerWaalsContact O-N 3.15Å; F323-A327 HydrophobicContact CD1-CB 4.19Å; F323-A327 HydrophobicContact CE1-CB 3.99Å; F323-A327 WeakPolarHBondContact O-CB 3.47Å; F323-A327 PolarHBondContact O-N 3.01Å
324M98.8Very high98.7Very high5 Ų553.3 Ų53.33%0.02525%0.25CC..Hα-helixtrans-64.9-37.5-176.3-72.6-54.4-61.800112.6F296 V315 Y320 R326 A327 I328 L373 I395 V416F296-M324 HydrophobicContact CE2-CE 4.42Å; F296-M324 HydrophobicContact CE2-SD 3.87Å; F296-M324 HydrophobicContact CZ-CE 3.78Å; F296-M324 HydrophobicContact CZ-SD 3.81Å; V315-M324 HydrophobicContact CG2-SD 4.33Å; Y320-M324 HydrophobicContact CD2-CG 3.61Å; Y320-M324 HydrophobicContact CE1-CG 4.43Å; Y320-M324 HydrophobicContact CE2-CG 3.38Å; Y320-M324 HydrophobicContact CE2-SD 4.26Å; Y320-M324 HydrophobicContact CG-CG 4.25Å; Y320-M324 VanDerWaalsContact O-CB 3.26Å; Y320-M324 WeakPolarHBondContact O-CB 3.48Å; Y320-M324 VanDerWaalsContact O-CG 3.27Å; Y320-M324 WeakPolarHBondContact O-CG 3.39Å; Y320-M324 PolarHBondContact O-N 3.11Å; M324-R326 VanDerWaalsContact C-N 3.26Å; M324-R326 PolarHBondContact O-N 3.44Å; M324-A327 PolarHBondContact O-N 3.17Å; M324-I328 HydrophobicContact CB-CD1 4.41Å; M324-I328 HydrophobicContact CE-CD1 4.25Å; M324-I328 HydrophobicContact CE-CG1 4.12Å; M324-I328 WeakPolarHBondContact O-CB 2.98Å; M324-I328 WeakPolarHBondContact O-CD1 3.42Å; M324-I328 WeakPolarHBondContact O-CG1 3.48Å; M324-I328 PolarHBondContact O-N 3.44Å; M324-L373 HydrophobicContact CE-CD1 3.61Å; M324-I395 HydrophobicContact CE-CG2 4.16Å; M324-V416 HydrophobicContact CE-CG1 4.16Å; M324-V416 HydrophobicContact CE-CG2 4.27Å; M324-V416 HydrophobicContact SD-CG1 3.98Å
325E98.6Very high98.6Very high88 Ų8860.7 Ų60.741%0.41128%0.278SS..Hα-helixtrans-51.5-46.9172.5-176.3-164.5172.600111.8E321 F323 R329E321-E325 WeakPolarHBondContact O-CB 3.49Å; E321-E325 PolarHBondContact O-N 3.33Å; E321-E325 VanDerWaalsContact O-N 3.08Å; F323-E325 PolarHBondContact O-N 2.89Å; E325-R329 WeakPolarHBondContact O-CG 3.4Å; E325-R329 PolarHBondContact O-N 2.76Å; E325-R329 IonicContact OE1-CZ 3.92Å; E325-R329 IonicContact OE1-NH1 2.72Å; E325-R329 PolarHBondContact OE1-NH1 3.23Å; E325-R329 IonicContact OE1-NH2 3.37Å; E325-R329 PolarHBondContact OE1-NH2 3.39Å
326R98.7Very high98.4Very high64 Ų6461.6 Ų61.624%0.24228%0.284CS..Hα-helixtrans-77.8-37.8-178.4-66165.4175.473.3-2.3111.8E285 F289 L293 R322 F323 M324 R329 R330E285-R326 IonicContact OE1-CZ 3.17Å; E285-R326 IonicContact OE1-NE 3.04Å; E285-R326 IonicContact OE1-NH2 2.67Å; E285-R326 PolarHBondContact OE1-NH2 2.78Å; F289-R326 VanDerWaalsContact CZ-CD 3.42Å; L293-R326 HydrophobicContact CD1-CB 3.88Å; L293-R326 HydrophobicContact CD2-CB 3.99Å; R322-R326 PolarHBondContact O-NH1 3.26Å; F323-R326 PolarHBondContact O-N 3.41Å; F323-R326 VanDerWaalsContact O-N 3.15Å; M324-R326 VanDerWaalsContact C-N 3.26Å; M324-R326 PolarHBondContact O-N 3.44Å; R326-R329 PolarHBondContact O-N 2.77Å; R326-R330 PolarHBondContact O-N 2.99Å; R326-R330 VanDerWaalsContact O-N 3.1Å
327A98.8Very high98.2Very high0 Ų060.4 Ų60.40%028%0.281CS..Hα-helixtrans-65.5-44.1179.400000111.9L293 F296 F323 M324 R330 V331L293-A327 HydrophobicContact CD2-CB 3.98Å; F296-A327 HydrophobicContact CD1-CB 3.65Å; F296-A327 HydrophobicContact CE1-CB 3.75Å; F296-A327 HydrophobicContact CG-CB 4.06Å; F296-A327 HydrophobicContact CZ-CB 4.23Å; F323-A327 HydrophobicContact CD1-CB 4.19Å; F323-A327 HydrophobicContact CE1-CB 3.99Å; F323-A327 WeakPolarHBondContact O-CB 3.47Å; F323-A327 PolarHBondContact O-N 3.01Å; M324-A327 PolarHBondContact O-N 3.17Å; A327-R330 PolarHBondContact O-N 3.34Å; A327-V331 WeakPolarHBondContact O-CG2 3.5Å; A327-V331 PolarHBondContact O-N 3.01Å
328I98.9Very high98.1Very high32 Ų3256.4 Ų56.416%0.16426%0.263CS..Hα-helixtrans-60.7-48.5176-68.5163.8000110.2M324 R330 V331 E332 L373 T374 I395M324-I328 HydrophobicContact CB-CD1 4.41Å; M324-I328 HydrophobicContact CE-CD1 4.25Å; M324-I328 HydrophobicContact CE-CG1 4.12Å; M324-I328 WeakPolarHBondContact O-CB 2.98Å; M324-I328 WeakPolarHBondContact O-CD1 3.42Å; M324-I328 WeakPolarHBondContact O-CG1 3.48Å; M324-I328 PolarHBondContact O-N 3.44Å; I328-R330 VanDerWaalsContact C-N 3.26Å; I328-R330 PolarHBondContact O-N 3.27Å; I328-V331 PolarHBondContact O-N 3.12Å; I328-E332 HydrophobicContact CG2-CG 4.18Å; I328-E332 WeakPolarHBondContact O-CG 3.45Å; I328-E332 PolarHBondContact O-N 2.81Å; I328-L373 HydrophobicContact CD1-CB 4.05Å; I328-L373 HydrophobicContact CD1-CD1 4.21Å; I328-T374 HydrophobicContact CG2-CG2 4.49Å; I328-I395 HydrophobicContact CG1-CD1 4.04Å
329R98.7Very high98Very high151 Ų15152.5 Ų52.557%0.5724%0.236SC*.Hα-helixtrans-55.7-41.1176.6-75177.8-176.515010.4112.4E325 R326 S333E325-R329 WeakPolarHBondContact O-CG 3.4Å; E325-R329 PolarHBondContact O-N 2.76Å; E325-R329 IonicContact OE1-CZ 3.92Å; E325-R329 IonicContact OE1-NH1 2.72Å; E325-R329 PolarHBondContact OE1-NH1 3.23Å; E325-R329 IonicContact OE1-NH2 3.37Å; E325-R329 PolarHBondContact OE1-NH2 3.39Å; R326-R329 PolarHBondContact O-N 2.77Å; R329-S333 WeakPolarHBondContact O-CB 3.42Å; R329-S333 PolarHBondContact O-N 2.83Å; R329-S333 VanDerWaalsContact O-N 3.11Å
330R98.4Very high97.8Very high61 Ų6153.1 Ų53.123%0.2324%0.239CC..Hα-helixtrans-64.8-44.2176.3179.2168.9-75.8-124.9-1.8111.4D290 L293 A297 R326 A327 I328 S333D290-R330 IonicContact OD1-CZ 2.8Å; D290-R330 IonicContact OD1-NH2 2.75Å; D290-R330 PolarHBondContact OD1-NH2 2.74Å; D290-R330 IonicContact OD2-CZ 2.73Å; D290-R330 IonicContact OD2-NH1 3.25Å; D290-R330 IonicContact OD2-NH2 2.79Å; D290-R330 PolarHBondContact OD2-NH2 3.32Å; L293-R330 WeakPolarHBondContact O-CD 3.32Å; A297-R330 HydrophobicContact CB-CG 4.17Å; R326-R330 PolarHBondContact O-N 2.99Å; R326-R330 VanDerWaalsContact O-N 3.1Å; A327-R330 PolarHBondContact O-N 3.34Å; I328-R330 VanDerWaalsContact C-N 3.26Å; I328-R330 PolarHBondContact O-N 3.27Å; R330-S333 WeakPolarHBondContact O-CB 3.46Å; R330-S333 PolarHBondContact O-N 3.06Å; R330-S333 PolarHBondContact O-OG 3.2Å
331V98.7Very high97.5Very high0 Ų054.7 Ų54.70%025%0.249CC..Hα-helixtrans-64.3-41.3178171.10000111.8F296 A297 F299 A327 I328 S333 I334 T374 P393 I395F296-V331 HydrophobicContact CD1-CG2 4.36Å; F296-V331 HydrophobicContact CE1-CG2 4.32Å; A297-V331 HydrophobicContact CB-CG2 4.02Å; F299-V331 HydrophobicContact CE1-CG1 4.19Å; F299-V331 HydrophobicContact CE1-CG2 3.73Å; F299-V331 HydrophobicContact CZ-CG1 3.86Å; F299-V331 HydrophobicContact CZ-CG2 4.26Å; A327-V331 WeakPolarHBondContact O-CG2 3.5Å; A327-V331 PolarHBondContact O-N 3.01Å; I328-V331 PolarHBondContact O-N 3.12Å; V331-S333 PolarHBondContact O-N 3.17Å; V331-I334 HydrophobicContact CB-CD1 4.44Å; V331-I334 HydrophobicContact CG1-CD1 4.29Å; V331-I334 VanDerWaalsContact O-CB 3.26Å; V331-I334 WeakPolarHBondContact O-CB 3.37Å; V331-I334 VanDerWaalsContact O-CG1 3.23Å; V331-I334 WeakPolarHBondContact O-CG1 3.45Å; V331-I334 PolarHBondContact O-N 2.91Å; V331-I334 VanDerWaalsContact O-N 3.13Å; V331-T374 HydrophobicContact CG1-CG2 4.06Å; V331-P393 HydrophobicContact CG1-CB 3.87Å; V331-P393 HydrophobicContact CG1-CG 3.92Å; V331-I395 HydrophobicContact CB-CD1 4.09Å; V331-I395 HydrophobicContact CG1-CD1 4.07Å; V331-I395 HydrophobicContact CG1-CG1 4.32Å; V331-I395 HydrophobicContact CG2-CD1 4.01Å
332E98.5Very high97.2Very high115 Ų11551.3 Ų51.354%0.53724%0.242SC..Hα-helixtrans-66-23.8175.6-71.1177160.600112.9I328 I334 T374I328-E332 HydrophobicContact CG2-CG 4.18Å; I328-E332 WeakPolarHBondContact O-CG 3.45Å; I328-E332 PolarHBondContact O-N 2.81Å; E332-I334 VanDerWaalsContact C-N 3.29Å; E332-I334 PolarHBondContact O-N 2.98Å; E332-T374 HydrophobicContact CG-CG2 4.45Å; E332-T374 VanDerWaalsContact CG-OG1 3.27Å; E332-T374 WeakPolarHBondContact CG-OG1 3.21Å; E332-T374 PolarHBondContact OE1-OG1 2.92Å
333S98.1Very high97.1Very high73 Ų7348.8 Ų48.851%0.5124%0.239SC..THydrogen-bonded Turntrans-79.2-7.6175.580.20000114.3R329 R330 V331 R335R329-S333 WeakPolarHBondContact O-CB 3.42Å; R329-S333 PolarHBondContact O-N 2.83Å; R329-S333 VanDerWaalsContact O-N 3.11Å; R330-S333 WeakPolarHBondContact O-CB 3.46Å; R330-S333 PolarHBondContact O-N 3.06Å; R330-S333 PolarHBondContact O-OG 3.2Å; V331-S333 PolarHBondContact O-N 3.17Å; S333-R335 PolarHBondContact O-N 2.98Å; S333-R335 VanDerWaalsContact O-N 3.15Å
334I98.4Very high97Very high21 Ų2149.1 Ų49.111%0.10824%0.241CC..  trans-61.7116-179.6-67173.5000110A300 V331 E332 S336 Q345 M346 P393A300-I334 HydrophobicContact CB-CD1 3.67Å; V331-I334 HydrophobicContact CB-CD1 4.44Å; V331-I334 HydrophobicContact CG1-CD1 4.29Å; V331-I334 VanDerWaalsContact O-CB 3.26Å; V331-I334 WeakPolarHBondContact O-CB 3.37Å; V331-I334 VanDerWaalsContact O-CG1 3.23Å; V331-I334 WeakPolarHBondContact O-CG1 3.45Å; V331-I334 PolarHBondContact O-N 2.91Å; V331-I334 VanDerWaalsContact O-N 3.13Å; E332-I334 VanDerWaalsContact C-N 3.29Å; E332-I334 PolarHBondContact O-N 2.98Å; I334-S336 PolarHBondContact O-N 2.97Å; I334-S336 VanDerWaalsContact O-N 3.11Å; I334-Q345 HydrophobicContact CG2-CB 4.21Å; I334-M346 HydrophobicContact CG2-CB 3.71Å; I334-P393 HydrophobicContact CD1-CB 4.43Å; I334-P393 HydrophobicContact CD1-CG 4.43Å
335R97.4Very high97Very high156 Ų15652.4 Ų52.459%0.58926%0.256SS*.  trans-77.799.6179.8-52.5179.4-179.1179.4-0.6111S333 T344 Q345 M346S333-R335 PolarHBondContact O-N 2.98Å; S333-R335 VanDerWaalsContact O-N 3.15Å; R335-T344 CarbonylContact O-C 3.43Å; R335-T344 WeakPolarHBondContact O-CA 3.25Å; R335-Q345 HydrophobicContact CB-CG 3.93Å; R335-Q345 HydrophobicContact CG-CG 4.38Å; R335-Q345 VanDerWaalsContact N-OE1 3.12Å; R335-Q345 PolarHBondContact O-N 2.85Å; R335-M346 PolarHBondContact O-N 3.22Å
336S95.4Very high97Very high18 Ų1848.2 Ų48.213%0.12624%0.237CC..BIsolated β-bridgetrans-88.8141.5168.8-5.40000111.3I334 M346 K379I334-S336 PolarHBondContact O-N 2.97Å; I334-S336 VanDerWaalsContact O-N 3.11Å; S336-M346 VanDerWaalsContact CA-O 3.24Å; S336-M346 WeakPolarHBondContact CA-O 3.32Å; S336-M346 WeakPolarHBondContact CB-O 3.16Å; S336-K379 PolarHBondContact OG-NZ 2.96Å
337G95Very high96.9Very high11 Ų1145.1 Ų45.111%0.11323%0.225CC..SBendtrans176.3-150.8-17700000112.8P339 M346 Y390G337-P339 WeakPolarHBondContact O-CD 3.41Å; G337-M346 PolarHBondContact N-O 3.28Å; G337-Y390 VanDerWaalsContact O-CE1 3.3Å; G337-Y390 WeakPolarHBondContact O-CE1 3.24Å
338N95.4Very high96.9Very high13 Ų1345.1 Ų45.17%0.0723%0.225CC..  trans-60.1115.6174.2-176.2-4.8000110Y15 L340 D341 T344 L385Y15-N338 WeakPolarHBondContact CE1-ND2 3.12Å; Y15-N338 VanDerWaalsContact CZ-ND2 3.31Å; Y15-N338 PolarHBondContact OH-ND2 3.23Å; N338-L340 PolarHBondContact O-N 3.25Å; N338-L340 WeakPolarHBondContact OD1-CB 3.42Å; N338-L340 PolarHBondContact OD1-N 2.96Å; N338-D341 HydrophobicContact CB-CB 4.34Å; N338-D341 WeakPolarHBondContact O-CB 3.45Å; N338-D341 PolarHBondContact O-N 3.32Å; N338-T344 VanDerWaalsContact O-CB 3.26Å; N338-T344 WeakPolarHBondContact O-CB 3.27Å; N338-T344 PolarHBondContact O-OG1 2.72Å; N338-L385 HydrophobicContact CB-CD1 3.98Å
339P96.7Very high96.9Very high0 Ų043.6 Ų43.60%022%0.217CC..THydrogen-bonded Turntrans-59.6-21.5-179.2-26.539.2000113.7V48 T109 G113 P115 I116 G337 D341V48-P339 HydrophobicContact CG1-CG 4.41Å; V48-P339 HydrophobicContact CG2-CG 4.02Å; T109-P339 HydrophobicContact CG2-CB 3.69Å; G113-P339 VanDerWaalsContact O-CB 3.29Å; G113-P339 WeakPolarHBondContact O-CB 3.3Å; G113-P339 WeakPolarHBondContact O-CG 3.4Å; P115-P339 CarbonylContact C-O 3.58Å; P115-P339 WeakPolarHBondContact CA-O 3.4Å; I116-P339 WeakPolarHBondContact CB-O 3.26Å; I116-P339 WeakPolarHBondContact CG2-O 3.5Å; I116-P339 PolarHBondContact N-O 3.36Å; G337-P339 WeakPolarHBondContact O-CD 3.41Å; P339-D341 VanDerWaalsContact C-N 3.32Å
340L94.9Very high96.9Very high17 Ų1736.7 Ų36.79%0.08919%0.192CC..THydrogen-bonded Turntrans-83.1-8177-64.9157.5000113.6Y15 T106 T109 W110 N338Y15-L340 HydrophobicContact CD1-CB 3.89Å; Y15-L340 HydrophobicContact CD1-CD1 3.77Å; Y15-L340 HydrophobicContact CD1-CG 4.48Å; Y15-L340 HydrophobicContact CE1-CB 3.71Å; Y15-L340 HydrophobicContact CE1-CD1 4.4Å; T106-L340 HydrophobicContact CG2-CD2 3.95Å; T109-L340 HydrophobicContact CG2-CD2 3.51Å; T109-L340 HydrophobicContact CG2-CG 3.77Å; W110-L340 HydrophobicContact CD2-CD1 3.75Å; W110-L340 HydrophobicContact CE3-CD1 4.17Å; W110-L340 HydrophobicContact CG-CD1 4.43Å; W110-L340 HydrophobicContact CH2-CD1 3.58Å; W110-L340 HydrophobicContact CZ2-CD1 3.09Å; W110-L340 HydrophobicContact CZ3-CD1 4.09Å; N338-L340 PolarHBondContact O-N 3.25Å; N338-L340 WeakPolarHBondContact OD1-CB 3.42Å; N338-L340 PolarHBondContact OD1-N 2.96Å
341D93.2Very high96.9Very high61 Ų6134.8 Ų34.833%0.32619%0.188SC..SBendtrans-79.6125.2169.3-170.1-21000109.7N338 P339 V343 T344N338-D341 HydrophobicContact CB-CB 4.34Å; N338-D341 WeakPolarHBondContact O-CB 3.45Å; N338-D341 PolarHBondContact O-N 3.32Å; P339-D341 VanDerWaalsContact C-N 3.32Å; D341-V343 PolarHBondContact O-N 3.15Å; D341-V343 VanDerWaalsContact O-N 3.08Å; D341-V343 WeakPolarHBondContact OD1-CG2 3.22Å; D341-V343 PolarHBondContact OD1-N 3.08Å; D341-T344 WeakPolarHBondContact O-CB 3.29Å; D341-T344 PolarHBondContact O-N 3.31Å
342S92.3Very high96.8Very high76 Ų7639.2 Ų39.253%0.53121%0.208SC..THydrogen-bonded Turntrans-53.1-27.9175.765.60000113.9R117R117-S342 PolarHBondContact NE-O 2.8Å; R117-S342 VanDerWaalsContact NE-O 3.11Å; R117-S342 PolarHBondContact NH2-O 3.03Å
343V95.4Very high96.8Very high63 Ų6335.8 Ų35.838%0.38220%0.204SC..THydrogen-bonded Turntrans-87.2-7.1179.8-52.10000114.4R117 D341R117-V343 PolarHBondContact NH2-O 3.09Å; D341-V343 PolarHBondContact O-N 3.15Å; D341-V343 VanDerWaalsContact O-N 3.08Å; D341-V343 WeakPolarHBondContact OD1-CG2 3.22Å; D341-V343 PolarHBondContact OD1-N 3.08Å
344T97.1Very high96.8Very high6 Ų633.7 Ų33.74%0.03719%0.186CC..  trans-76125.2173.1-71.40000112P115 R117 R335 N338 D341 M346P115-T344 WeakPolarHBondContact CB-O 3.28Å; P115-T344 HydrophobicContact CG-CG2 4.45Å; R117-T344 PolarHBondContact NE-O 3.08Å; R117-T344 VanDerWaalsContact NE-O 3.07Å; R117-T344 PolarHBondContact NH1-O 3.41Å; R117-T344 PolarHBondContact NH2-O 3.16Å; R335-T344 CarbonylContact O-C 3.43Å; R335-T344 WeakPolarHBondContact O-CA 3.25Å; N338-T344 VanDerWaalsContact O-CB 3.26Å; N338-T344 WeakPolarHBondContact O-CB 3.27Å; N338-T344 PolarHBondContact O-OG1 2.72Å; D341-T344 WeakPolarHBondContact O-CB 3.29Å; D341-T344 PolarHBondContact O-N 3.31Å; T344-M346 VanDerWaalsContact CG2-O 3.29Å; T344-M346 WeakPolarHBondContact CG2-O 3.43Å
345Q98Very high96.8Very high74 Ų7432.7 Ų32.735%0.34618%0.181SC..SBendtrans-102.6-14.6-179.6-23.4-171.3-99.600113.8I334 R335I334-Q345 HydrophobicContact CG2-CB 4.21Å; R335-Q345 HydrophobicContact CB-CG 3.93Å; R335-Q345 HydrophobicContact CG-CG 4.38Å; R335-Q345 VanDerWaalsContact N-OE1 3.12Å; R335-Q345 PolarHBondContact O-N 2.85Å
346M98.3Very high96.9Very high0 Ų029.5 Ų29.50%017%0.173CC..BIsolated β-bridgetrans-142.8124.6175.3-167.6177.377.800109.5A300 Q303 I334 R335 S336 G337 T344 L391 P393 P412A300-M346 HydrophobicContact CB-SD 4.07Å; Q303-M346 HydrophobicContact CB-CG 4.12Å; Q303-M346 HydrophobicContact CG-CG 3.72Å; I334-M346 HydrophobicContact CG2-CB 3.71Å; R335-M346 PolarHBondContact O-N 3.22Å; S336-M346 VanDerWaalsContact CA-O 3.24Å; S336-M346 WeakPolarHBondContact CA-O 3.32Å; S336-M346 WeakPolarHBondContact CB-O 3.16Å; G337-M346 PolarHBondContact N-O 3.28Å; T344-M346 VanDerWaalsContact CG2-O 3.29Å; T344-M346 WeakPolarHBondContact CG2-O 3.43Å; M346-L391 WeakPolarHBondContact CE-O 3.32Å; M346-P393 HydrophobicContact CE-CB 4.28Å; M346-P393 HydrophobicContact CE-CG 4.25Å; M346-P393 HydrophobicContact SD-CB 4.06Å; M346-P393 HydrophobicContact SD-CG 4.5Å; M346-P412 HydrophobicContact SD-CB 3.83Å; M346-P412 HydrophobicContact SD-CG 4.13Å
347G98.1Very high97.1Very high0 Ų031.5 Ų31.50%018%0.184CC..  trans-92.3-149.9-176.300000115G113 Q303G113-G347 VanDerWaalsContact O-CA 3.29Å; G113-G347 WeakPolarHBondContact O-CA 3.36Å; Q303-G347 VanDerWaalsContact CG-C 3.42Å; Q303-G347 VanDerWaalsContact CG-N 3.34Å; Q303-G347 WeakPolarHBondContact CG-O 3.39Å
348A98.4Very high97.2Very high0 Ų031 Ų310%018%0.179CC..  trans-93.6148.4176.700000111.1P47 G113 Q303 Y389 Y390P47-A348 HydrophobicContact CB-CB 4.11Å; P47-A348 WeakPolarHBondContact O-CB 3.37Å; G113-A348 PolarHBondContact O-N 2.7Å; Q303-A348 PolarHBondContact NE2-O 2.87Å; A348-Y389 CarbonylContact C-O 3.6Å; A348-Y389 WeakPolarHBondContact CA-O 3.49Å; A348-Y390 HydrophobicContact CB-CD1 3.97Å; A348-Y390 HydrophobicContact CB-CE1 3.68Å; A348-Y390 HydrophobicContact CB-CE2 4.43Å; A348-Y390 HydrophobicContact CB-CG 4.48Å
349Q98.8Very high97.4Very high0 Ų032.4 Ų32.40%019%0.186CC..  trans-62.3147.1167.8-54.5-53-61.600109.8P47 Q303 E305 S351 L355 I358 Y389P47-Q349 WeakPolarHBondContact CB-O 3.06Å; Q303-Q349 VanDerWaalsContact CB-NE2 3.29Å; E305-Q349 WeakPolarHBondContact OE1-CA 3.16Å; E305-Q349 PolarHBondContact OE1-OE1 3.48Å; Q349-S351 PolarHBondContact O-N 3.25Å; Q349-L355 HydrophobicContact CB-CB 4.49Å; Q349-L355 HydrophobicContact CG-CD1 4.14Å; Q349-I358 HydrophobicContact CG-CD1 3.88Å; Q349-Y389 WeakPolarHBondContact CG-O 3.48Å; Q349-Y389 PolarHBondContact N-O 2.87Å; Q349-Y389 WeakPolarHBondContact O-CB 3.31Å
350V98.6Very high97.5Very high5 Ų536.5 Ų36.53%0.0321%0.208CC..SBendtrans-57.6-26.8-171.972.80000114.3N112 W170 L198 T199 E305 Q354N112-V350 WeakPolarHBondContact O-CA 3.19Å; W170-V350 HydrophobicContact CB-CG2 4.5Å; W170-V350 HydrophobicContact CD2-CB 4.38Å; W170-V350 HydrophobicContact CD2-CG1 3.86Å; W170-V350 HydrophobicContact CD2-CG2 4.22Å; W170-V350 HydrophobicContact CE3-CB 3.64Å; W170-V350 HydrophobicContact CE3-CG1 3.5Å; W170-V350 HydrophobicContact CE3-CG2 3.66Å; W170-V350 HydrophobicContact CH2-CB 4.23Å; W170-V350 HydrophobicContact CH2-CG1 3.49Å; W170-V350 VanDerWaalsContact CH2-CG1 3.49Å; W170-V350 HydrophobicContact CZ2-CG1 3.9Å; W170-V350 HydrophobicContact CZ3-CB 3.58Å; W170-V350 HydrophobicContact CZ3-CG1 3.34Å; W170-V350 HydrophobicContact CZ3-CG2 4.15Å; L198-V350 HydrophobicContact CB-CG2 3.99Å; L198-V350 HydrophobicContact CD1-CG1 3.92Å; L198-V350 HydrophobicContact CD1-CG2 4.29Å; T199-V350 HydrophobicContact CG2-CG2 3.67Å; E305-V350 PolarHBondContact OE1-N 3.09Å; E305-V350 PolarHBondContact OE2-N 3.03Å; V350-Q354 HydrophobicContact CG1-CB 4.04Å; V350-Q354 HydrophobicContact CG1-CG 4.27Å
351S98.3Very high97.7Very high21 Ų2137.3 Ų37.315%0.14721%0.21CC..  trans-156.1160.1-177.570.40000112.8Q349 G353 Q354 L355 Y389Q349-S351 PolarHBondContact O-N 3.25Å; S351-G353 VanDerWaalsContact C-N 3.27Å; S351-G353 PolarHBondContact O-N 3.17Å; S351-Q354 PolarHBondContact O-N 3.15Å; S351-Q354 WeakPolarHBondContact OG-CB 3.37Å; S351-Q354 PolarHBondContact OG-N 3.48Å; S351-Q354 VanDerWaalsContact OG-N 3.08Å; S351-L355 PolarHBondContact O-N 3.03Å; S351-Y389 VanDerWaalsContact CA-CD2 3.45Å
352H97.4Very high97.9Very high93 Ų9334.5 Ų34.543%0.43120%0.195SC..Hα-helixtrans-59-40171.9179.353.4000111.8Q354 L355 E356 Y389H352-Q354 VanDerWaalsContact C-N 3.34Å; H352-Q354 PolarHBondContact O-N 3.13Å; H352-L355 WeakPolarHBondContact O-CB 3.13Å; H352-L355 PolarHBondContact O-N 2.88Å; H352-E356 IonicContact CE1-OE1 2.66Å; H352-E356 PolarHBondContact CE1-OE1 3.32Å; H352-E356 VanDerWaalsContact CE1-OE1 3.27Å; H352-E356 IonicContact ND1-OE1 2.77Å; H352-E356 WeakPolarHBondContact O-CG 3.47Å; H352-E356 PolarHBondContact O-N 3.48Å; H352-Y389 HydrophobicContact CB-CD1 4.29Å; H352-Y389 HydrophobicContact CB-CE1 3.89Å; H352-Y389 HydrophobicContact CB-CE2 4.31Å; H352-Y389 VanDerWaalsContact N-CD2 3.29Å
353G98.2Very high98.3Very high43 Ų4333.8 Ų33.844%0.44319%0.185SC..Hα-helixtrans-60.1-43.6176.500000112.3S351 E356 T357S351-G353 VanDerWaalsContact C-N 3.27Å; S351-G353 PolarHBondContact O-N 3.17Å; G353-E356 PolarHBondContact O-N 2.83Å; G353-T357 PolarHBondContact O-N 2.9Å; G353-T357 PolarHBondContact O-OG1 3.41Å
354Q98.4Very high98.4Very high29 Ų2931.6 Ų31.614%0.13617%0.171CC..Hα-helixtrans-65.4-40.9176.9-172.356.926.100111.9W170 E305 V350 S351 H352 E356 T357 I358 I409 F410W170-Q354 HydrophobicContact CH2-CG 4.24Å; E305-Q354 WeakPolarHBondContact OE1-CG 3.27Å; V350-Q354 HydrophobicContact CG1-CB 4.04Å; V350-Q354 HydrophobicContact CG1-CG 4.27Å; S351-Q354 PolarHBondContact O-N 3.15Å; S351-Q354 WeakPolarHBondContact OG-CB 3.37Å; S351-Q354 PolarHBondContact OG-N 3.48Å; S351-Q354 VanDerWaalsContact OG-N 3.08Å; H352-Q354 VanDerWaalsContact C-N 3.34Å; H352-Q354 PolarHBondContact O-N 3.13Å; Q354-E356 PolarHBondContact O-N 2.81Å; Q354-T357 WeakPolarHBondContact O-CB 3.33Å; Q354-T357 PolarHBondContact O-N 3.25Å; Q354-I358 HydrophobicContact CG-CD1 4Å; Q354-I358 WeakPolarHBondContact O-CD1 3.34Å; Q354-I358 VanDerWaalsContact O-CG1 3.24Å; Q354-I358 WeakPolarHBondContact O-CG1 3.06Å; Q354-I358 PolarHBondContact O-N 3.37Å; Q354-I409 PolarHBondContact NE2-O 2.87Å; Q354-F410 PolarHBondContact NE2-O 2.79Å
355L98.4Very high98.5Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-56.6-47.5173.8178.567.4000112Q349 S351 H352 I358 L359 R378 L391Q349-L355 HydrophobicContact CB-CB 4.49Å; Q349-L355 HydrophobicContact CG-CD1 4.14Å; S351-L355 PolarHBondContact O-N 3.03Å; H352-L355 WeakPolarHBondContact O-CB 3.13Å; H352-L355 PolarHBondContact O-N 2.88Å; L355-I358 PolarHBondContact O-N 3.31Å; L355-L359 HydrophobicContact CD1-CD1 4.39Å; L355-L359 HydrophobicContact CG-CD1 4.14Å; L355-L359 WeakPolarHBondContact O-CG 3.47Å; L355-L359 PolarHBondContact O-N 2.93Å; L355-R378 HydrophobicContact CD2-CG 4.31Å; L355-L391 HydrophobicContact CD1-CB 4.11Å; L355-L391 HydrophobicContact CD1-CD1 3.6Å; L355-L391 HydrophobicContact CD1-CG 4.46Å
356E98.6Very high98.5Very high90 Ų9032.2 Ų32.242%0.42117%0.172SC..Hα-helixtrans-64.2-41.2177.9-68.7-59.7135.300112H352 G353 Q354 I358 L359 N360H352-E356 IonicContact CE1-OE1 2.66Å; H352-E356 PolarHBondContact CE1-OE1 3.32Å; H352-E356 VanDerWaalsContact CE1-OE1 3.27Å; H352-E356 IonicContact ND1-OE1 2.77Å; H352-E356 WeakPolarHBondContact O-CG 3.47Å; H352-E356 PolarHBondContact O-N 3.48Å; G353-E356 PolarHBondContact O-N 2.83Å; Q354-E356 PolarHBondContact O-N 2.81Å; E356-I358 VanDerWaalsContact C-N 3.32Å; E356-I358 PolarHBondContact O-N 3.16Å; E356-L359 PolarHBondContact O-N 2.9Å; E356-N360 WeakPolarHBondContact O-CB 3.23Å; E356-N360 PolarHBondContact O-N 3.44Å
357T98.6Very high98.5Very high60 Ų6039.7 Ų39.737%0.36821%0.205SC..Hα-helixtrans-56.6-46.7173.9-660000111.4G353 Q354 N360 Y361G353-T357 PolarHBondContact O-N 2.9Å; G353-T357 PolarHBondContact O-OG1 3.41Å; Q354-T357 WeakPolarHBondContact O-CB 3.33Å; Q354-T357 PolarHBondContact O-N 3.25Å; T357-N360 PolarHBondContact O-N 3.27Å; T357-Y361 HydrophobicContact CG2-CD2 3.98Å; T357-Y361 HydrophobicContact CG2-CE2 3.91Å; T357-Y361 VanDerWaalsContact O-CD2 3.32Å; T357-Y361 WeakPolarHBondContact O-CD2 3.26Å; T357-Y361 PolarHBondContact O-N 2.98Å; T357-Y361 VanDerWaalsContact O-N 3.07Å
358I98.7Very high98.5Very high0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-65-45.8-179.9-64.3158.9000111Q349 Q354 L355 E356 N360 Y361 I362 L391 I409 V413Q349-I358 HydrophobicContact CG-CD1 3.88Å; Q354-I358 HydrophobicContact CG-CD1 4Å; Q354-I358 WeakPolarHBondContact O-CD1 3.34Å; Q354-I358 VanDerWaalsContact O-CG1 3.24Å; Q354-I358 WeakPolarHBondContact O-CG1 3.06Å; Q354-I358 PolarHBondContact O-N 3.37Å; L355-I358 PolarHBondContact O-N 3.31Å; E356-I358 VanDerWaalsContact C-N 3.32Å; E356-I358 PolarHBondContact O-N 3.16Å; I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 PolarHBondContact O-N 3.07Å; I358-Y361 PolarHBondContact O-N 3.36Å; I358-Y361 VanDerWaalsContact O-N 3.14Å; I358-I362 HydrophobicContact CG2-CD1 4.13Å; I358-I362 WeakPolarHBondContact O-CG1 3.31Å; I358-I362 PolarHBondContact O-N 3.38Å; I358-L391 HydrophobicContact CB-CD1 4.34Å; I358-L391 HydrophobicContact CG2-CD1 3.79Å; I358-L391 HydrophobicContact CG2-CD2 3.94Å; I358-I409 HydrophobicContact CB-CG2 4.43Å; I358-I409 HydrophobicContact CG1-CG2 4.16Å; I358-I409 HydrophobicContact CG2-CG2 4.26Å; I358-V413 HydrophobicContact CG2-CG2 3.65Å
359L98.7Very high98.5Very high42 Ų4245.8 Ų45.822%0.2225%0.248CC..Hα-helixtrans-60.1-39.4177.5-71.3170.5000111.9L355 E356 I362 D363 R378 L391L355-L359 HydrophobicContact CD1-CD1 4.39Å; L355-L359 HydrophobicContact CG-CD1 4.14Å; L355-L359 WeakPolarHBondContact O-CG 3.47Å; L355-L359 PolarHBondContact O-N 2.93Å; E356-L359 PolarHBondContact O-N 2.9Å; L359-I362 PolarHBondContact O-N 2.72Å; L359-D363 PolarHBondContact O-N 2.95Å; L359-R378 HydrophobicContact CD1-CB 4.4Å; L359-L391 HydrophobicContact CD2-CD1 3.72Å; L359-L391 HydrophobicContact CG-CD1 3.97Å
360N98.8Very high98.5Very high86 Ų8646.1 Ų46.146%0.4625%0.25SS..Hα-helixtrans-63.6-40174.9179.268.3000112.2E356 T357 I358 D363 I364E356-N360 WeakPolarHBondContact O-CB 3.23Å; E356-N360 PolarHBondContact O-N 3.44Å; T357-N360 PolarHBondContact O-N 3.27Å; I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 PolarHBondContact O-N 3.07Å; N360-D363 PolarHBondContact O-N 3.23Å; N360-I364 WeakPolarHBondContact ND2-CD1 3.35Å; N360-I364 VanDerWaalsContact O-CG1 3.31Å; N360-I364 WeakPolarHBondContact O-CG1 3.32Å; N360-I364 PolarHBondContact O-N 3.04Å
361Y98.8Very high98.5Very high34 Ų3450.7 Ų50.713%0.13327%0.274CS..Hα-helixtrans-66-36.9174.3-87.9-70.3000113.3T357 I358 D363 I364 G365 V404 E407 I409T357-Y361 HydrophobicContact CG2-CD2 3.98Å; T357-Y361 HydrophobicContact CG2-CE2 3.91Å; T357-Y361 VanDerWaalsContact O-CD2 3.32Å; T357-Y361 WeakPolarHBondContact O-CD2 3.26Å; T357-Y361 PolarHBondContact O-N 2.98Å; T357-Y361 VanDerWaalsContact O-N 3.07Å; I358-Y361 PolarHBondContact O-N 3.36Å; I358-Y361 VanDerWaalsContact O-N 3.14Å; Y361-D363 VanDerWaalsContact C-N 3.3Å; Y361-D363 PolarHBondContact O-N 3.08Å; Y361-I364 HydrophobicContact CD1-CD1 4.18Å; Y361-I364 PolarHBondContact O-N 2.86Å; Y361-G365 PolarHBondContact O-N 2.86Å; Y361-V404 VanDerWaalsContact O-CG1 3.27Å; Y361-V404 WeakPolarHBondContact O-CG1 3.26Å; Y361-E407 HydrophobicContact CE1-CB 3.9Å; Y361-E407 VanDerWaalsContact CE1-OE2 3.27Å; Y361-E407 WeakPolarHBondContact CE1-OE2 3.45Å; Y361-E407 PolarHBondContact OH-OE2 3.05Å; Y361-E407 VanDerWaalsContact OH-OE2 3.1Å; Y361-I409 HydrophobicContact CD1-CG1 3.95Å; Y361-I409 HydrophobicContact CD2-CB 4.24Å; Y361-I409 HydrophobicContact CD2-CG1 4.12Å; Y361-I409 HydrophobicContact CD2-CG2 3.93Å; Y361-I409 HydrophobicContact CE1-CG1 4.47Å; Y361-I409 HydrophobicContact CG-CB 4.33Å; Y361-I409 HydrophobicContact CG-CD1 4.39Å; Y361-I409 HydrophobicContact CG-CG1 3.75Å; Y361-I409 HydrophobicContact CG-CG2 4.06Å
362I98.8Very high98.5Very high2 Ų252.3 Ų52.31%0.0128%0.283CS..Hα-helixtrans-62.2-41.9173.5-66.7165.3000110.3I358 L359 G365 K366 L391 T394 V413I358-I362 HydrophobicContact CG2-CD1 4.13Å; I358-I362 WeakPolarHBondContact O-CG1 3.31Å; I358-I362 PolarHBondContact O-N 3.38Å; L359-I362 PolarHBondContact O-N 2.72Å; I362-G365 PolarHBondContact O-N 3.35Å; I362-K366 HydrophobicContact CG2-CD 4.42Å; I362-K366 WeakPolarHBondContact O-CG 2.97Å; I362-K366 PolarHBondContact O-N 3.04Å; I362-K366 VanDerWaalsContact O-N 3.08Å; I362-L391 HydrophobicContact CD1-CD1 4.4Å; I362-L391 HydrophobicContact CD1-CD2 4.19Å; I362-T394 HydrophobicContact CD1-CG2 4.33Å; I362-T394 HydrophobicContact CG1-CG2 4.33Å; I362-V413 HydrophobicContact CD1-CG2 3.94Å; I362-V413 HydrophobicContact CG1-CG1 4.36Å; I362-V413 HydrophobicContact CG1-CG2 3.88Å
363D98.7Very high98.6Very high61 Ų6150.4 Ų50.433%0.32628%0.276SS..Hα-helixtrans-66.1-40.4176.1-176.659.7000112.5L359 N360 Y361 G365 K366 K367L359-D363 PolarHBondContact O-N 2.95Å; N360-D363 PolarHBondContact O-N 3.23Å; Y361-D363 VanDerWaalsContact C-N 3.3Å; Y361-D363 PolarHBondContact O-N 3.08Å; D363-G365 VanDerWaalsContact C-N 3.35Å; D363-G365 PolarHBondContact O-N 3.28Å; D363-K366 PolarHBondContact O-N 2.93Å; D363-K367 WeakPolarHBondContact O-CG 3.39Å; D363-K367 PolarHBondContact O-N 2.92Å; D363-K367 IonicContact OD1-NZ 3.62Å; D363-K367 WeakPolarHBondContact OD2-CE 3.24Å; D363-K367 IonicContact OD2-NZ 2.63Å; D363-K367 PolarHBondContact OD2-NZ 3.45Å
364I98.7Very high98.6Very high18 Ų1849.3 Ų49.39%0.09226%0.261CS..Hα-helixtrans-57-48.7171.4-71.5159.7000110.4N360 Y361 K366 K367 E368 R403N360-I364 WeakPolarHBondContact ND2-CD1 3.35Å; N360-I364 VanDerWaalsContact O-CG1 3.31Å; N360-I364 WeakPolarHBondContact O-CG1 3.32Å; N360-I364 PolarHBondContact O-N 3.04Å; Y361-I364 HydrophobicContact CD1-CD1 4.18Å; Y361-I364 PolarHBondContact O-N 2.86Å; I364-K366 PolarHBondContact O-N 3.03Å; I364-K367 PolarHBondContact O-N 3.41Å; I364-K367 VanDerWaalsContact O-N 3.13Å; I364-E368 HydrophobicContact CG2-CG 4.43Å; I364-E368 WeakPolarHBondContact O-CG 3.48Å; I364-E368 PolarHBondContact O-N 3.06Å; I364-R403 HydrophobicContact CG2-CB 3.96Å
365G98.7Very high98.6Very high0 Ų048.9 Ų48.90%026%0.264CS..Hα-helixtrans-57.3-46.3178.400000112.5Y361 I362 D363 K367 E368 G369 A370Y361-G365 PolarHBondContact O-N 2.86Å; I362-G365 PolarHBondContact O-N 3.35Å; D363-G365 VanDerWaalsContact C-N 3.35Å; D363-G365 PolarHBondContact O-N 3.28Å; G365-K367 VanDerWaalsContact C-N 3.33Å; G365-K367 PolarHBondContact O-N 3.21Å; G365-E368 PolarHBondContact O-N 3.16Å; G365-G369 PolarHBondContact O-N 3.1Å; G365-A370 VanDerWaalsContact O-CB 3.26Å; G365-A370 WeakPolarHBondContact O-CB 3.37Å; G365-A370 PolarHBondContact O-N 3.39Å
366K98.5Very high98.6Very high93 Ų9349.1 Ų49.140%0.40427%0.267SS..Hα-helixtrans-59.6-42.3175.5-70.6168-178.9165.70112I362 D363 I364 E368 G369 V372 G376I362-K366 HydrophobicContact CG2-CD 4.42Å; I362-K366 WeakPolarHBondContact O-CG 2.97Å; I362-K366 PolarHBondContact O-N 3.04Å; I362-K366 VanDerWaalsContact O-N 3.08Å; D363-K366 PolarHBondContact O-N 2.93Å; I364-K366 PolarHBondContact O-N 3.03Å; K366-E368 VanDerWaalsContact C-N 3.34Å; K366-G369 PolarHBondContact O-N 2.89Å; K366-G369 VanDerWaalsContact O-N 3.16Å; K366-V372 HydrophobicContact CD-CG2 4.29Å; K366-V372 VanDerWaalsContact CE-CG2 3.44Å; K366-V372 HydrophobicContact CG-CG2 3.9Å; K366-G376 PolarHBondContact NZ-O 3.39Å
367K98.6Very high98.5Very high157 Ų15753.2 Ų53.268%0.68328%0.278SS*.Hα-helixtrans-68.6-30.9178.9-74.4169.9175.2168.10113.2D363 I364 G365 G369D363-K367 WeakPolarHBondContact O-CG 3.39Å; D363-K367 PolarHBondContact O-N 2.92Å; D363-K367 IonicContact OD1-NZ 3.62Å; D363-K367 WeakPolarHBondContact OD2-CE 3.24Å; D363-K367 IonicContact OD2-NZ 2.63Å; D363-K367 PolarHBondContact OD2-NZ 3.45Å; I364-K367 PolarHBondContact O-N 3.41Å; I364-K367 VanDerWaalsContact O-N 3.13Å; G365-K367 VanDerWaalsContact C-N 3.33Å; G365-K367 PolarHBondContact O-N 3.21Å; K367-G369 PolarHBondContact O-N 3.44Å
368E98.3Very high98.5Very high75 Ų7554.3 Ų54.335%0.3528%0.276SS..THydrogen-bonded Turntrans-80.1-3.2173.6-69.8-178.1170.300113I364 G365 K366 M402 R403I364-E368 HydrophobicContact CG2-CG 4.43Å; I364-E368 WeakPolarHBondContact O-CG 3.48Å; I364-E368 PolarHBondContact O-N 3.06Å; G365-E368 PolarHBondContact O-N 3.16Å; K366-E368 VanDerWaalsContact C-N 3.34Å; E368-M402 HydrophobicContact CB-CG 4.2Å; E368-M402 HydrophobicContact CB-SD 4.48Å; E368-M402 WeakPolarHBondContact O-CE 3Å; E368-M402 WeakPolarHBondContact OE2-CA 3.49Å; E368-M402 VanDerWaalsContact OE2-CB 3.26Å; E368-M402 WeakPolarHBondContact OE2-CB 3.42Å; E368-R403 VanDerWaalsContact OE1-CD 3.32Å; E368-R403 WeakPolarHBondContact OE1-CD 3.14Å; E368-R403 WeakPolarHBondContact OE1-CG 3.29Å; E368-R403 PolarHBondContact OE2-N 3.18Å
369G98.2Very high98.4Very high53 Ų5357.2 Ų57.255%0.54629%0.288SS..THydrogen-bonded Turntrans93.119.1175.100000114.6G365 K366 K367G365-G369 PolarHBondContact O-N 3.1Å; K366-G369 PolarHBondContact O-N 2.89Å; K366-G369 VanDerWaalsContact O-N 3.16Å; K367-G369 PolarHBondContact O-N 3.44Å
370A98.6Very high98.2Very high7 Ų761.4 Ų61.46%0.05831%0.31CS..  trans-73.2136.217200000111.4G365 L396 F397 M402G365-A370 VanDerWaalsContact O-CB 3.26Å; G365-A370 WeakPolarHBondContact O-CB 3.37Å; G365-A370 PolarHBondContact O-N 3.39Å; A370-L396 HydrophobicContact CB-CB 4.24Å; A370-F397 CarbonylContact C-O 3.53Å; A370-F397 WeakPolarHBondContact CA-O 3.36Å; A370-F397 WeakPolarHBondContact CB-O 3.07Å; A370-M402 HydrophobicContact CB-SD 4.07Å
371D98.7Very high98.1Very high100 Ų10058.9 Ų58.954%0.53530%0.297SS..EExtended strand (participates in β ladder)trans-80.7130.3174.5-68.9-46.5000110.2L373 L396 F397D371-L373 HydrophobicContact CB-CD2 4.39Å; D371-L373 PolarHBondContact O-N 2.83Å; D371-L396 CarbonylContact O-C 3.53Å; D371-L396 VanDerWaalsContact O-CA 3.3Å; D371-L396 WeakPolarHBondContact O-CA 3.41Å; D371-F397 HydrophobicContact CB-CB 4.34Å; D371-F397 PolarHBondContact N-O 2.72Å; D371-F397 PolarHBondContact O-N 2.73Å
372V98.7Very high97.8Very high55 Ų5565.8 Ų65.833%0.33333%0.33SS..EExtended strand (participates in β ladder)trans-82.3105.7172.2-174.90000108.6K366 T374 L396K366-V372 HydrophobicContact CD-CG2 4.29Å; K366-V372 VanDerWaalsContact CE-CG2 3.44Å; K366-V372 HydrophobicContact CG-CG2 3.9Å; V372-T374 WeakPolarHBondContact CG1-O 3.22Å; V372-L396 HydrophobicContact CB-CD2 4.32Å; V372-L396 HydrophobicContact CG1-CD2 4.45Å; V372-L396 HydrophobicContact CG2-CD2 3.76Å
373L98.8Very high97.4Very high53 Ų5368.4 Ų68.428%0.27736%0.358SS..EExtended strand (participates in β ladder)trans-78.5-33.6179.2-58.8-173.6000112.1M324 I328 D371 I395 F397M324-L373 HydrophobicContact CE-CD1 3.61Å; I328-L373 HydrophobicContact CD1-CB 4.05Å; I328-L373 HydrophobicContact CD1-CD1 4.21Å; D371-L373 HydrophobicContact CB-CD2 4.39Å; D371-L373 PolarHBondContact O-N 2.83Å; L373-I395 HydrophobicContact CB-CB 4.18Å; L373-I395 HydrophobicContact CB-CG2 4.14Å; L373-I395 HydrophobicContact CD1-CG2 3.9Å; L373-I395 HydrophobicContact CG-CG2 4.35Å; L373-I395 PolarHBondContact N-O 2.78Å; L373-F397 HydrophobicContact CD1-CB 3.94Å; L373-F397 HydrophobicContact CD2-CB 4.13Å; L373-F397 HydrophobicContact CG-CB 4Å
374T98.7Very high97Very high21 Ų2168.8 Ų68.813%0.12936%0.358CS..EExtended strand (participates in β ladder)trans-159.6160.4171.2-163.50000110.9I328 V331 E332 V372 T394 I395I328-T374 HydrophobicContact CG2-CG2 4.49Å; V331-T374 HydrophobicContact CG1-CG2 4.06Å; E332-T374 HydrophobicContact CG-CG2 4.45Å; E332-T374 VanDerWaalsContact CG-OG1 3.27Å; E332-T374 WeakPolarHBondContact CG-OG1 3.21Å; E332-T374 PolarHBondContact OE1-OG1 2.92Å; V372-T374 WeakPolarHBondContact CG1-O 3.22Å; T374-T394 WeakPolarHBondContact O-CA 3.32Å; T374-I395 HydrophobicContact CG2-CB 4.12Å; T374-I395 HydrophobicContact CG2-CD1 3.8Å; T374-I395 HydrophobicContact CG2-CG1 3.82Å; T374-I395 PolarHBondContact O-N 2.77Å; T374-I395 VanDerWaalsContact O-N 3.15Å
375G98.3Very high96.9Very high20 Ų2068.7 Ų68.721%0.20636%0.357CS..  trans67.6-133.9-179.700000114.5E392G375-E392 WeakPolarHBondContact CA-OE2 3.36Å
376G97.3Very high96.7Very high5 Ų574.5 Ų74.55%0.05238%0.382CS..  trans93.415.7173.900000115.3K366 T394K366-G376 PolarHBondContact NZ-O 3.39Å; G376-T394 WeakPolarHBondContact CA-OG1 3.46Å; G376-T394 PolarHBondContact N-OG1 2.88Å
377R97.5Very high96.5Very high175 Ų17574.5 Ų74.566%0.6639%0.387SS*.SBendtrans-144.2160.6-176.3-50.7178.5-166.2-177.64112.3E392R377-E392 WeakPolarHBondContact CB-OE2 3.48Å; R377-E392 PolarHBondContact O-N 3.38Å
378R97.5Very high96.4Very high84 Ų8467.1 Ų67.132%0.31736%0.355SS..BIsolated β-bridgetrans-61.2134.6165-176178.9178171.5-2.2108.9L355 L359 L380 G388 Y390L355-R378 HydrophobicContact CD2-CG 4.31Å; L359-R378 HydrophobicContact CD1-CB 4.4Å; R378-L380 HydrophobicContact CG-CD2 4.19Å; R378-G388 PolarHBondContact NH2-O 3.06Å; R378-G388 VanDerWaalsContact NH2-O 3.17Å; R378-Y390 VanDerWaalsContact CG-O 3.31Å; R378-Y390 WeakPolarHBondContact CG-O 3.42Å
379K97.1Very high96.4Very high60 Ų6065 Ų6526%0.26134%0.344SS..  trans-90.9116.5172.9-173.5165-177.1162.80108.6S336 L381 Y390 E392S336-K379 PolarHBondContact OG-NZ 2.96Å; K379-L381 HydrophobicContact CD-CD2 4.24Å; K379-L381 HydrophobicContact CG-CD2 3.93Å; K379-Y390 PolarHBondContact N-O 2.95Å; K379-Y390 WeakPolarHBondContact O-CB 3.28Å; K379-E392 HydrophobicContact CB-CG 4.13Å
380L95.5Very high96.4Very high130 Ų13062.6 Ų62.668%0.68132%0.319SS*.  trans-90.7112.2176.2-61.5177.9000108.4R378R378-L380 HydrophobicContact CG-CD2 4.19Å
381L95.2Very high96.4Very high33 Ų3362.3 Ų62.317%0.17332%0.316CS..  trans-89.7160.4171.7-58.3-170.9000109.9K379 L385 K386 Y390K379-L381 HydrophobicContact CD-CD2 4.24Å; K379-L381 HydrophobicContact CG-CD2 3.93Å; L381-L385 HydrophobicContact CB-CB 3.76Å; L381-L385 HydrophobicContact CD1-CB 4.07Å; L381-L385 HydrophobicContact CD1-CD1 3.72Å; L381-K386 WeakPolarHBondContact O-CA 3.36Å; L381-K386 WeakPolarHBondContact O-CB 3.47Å; L381-Y390 HydrophobicContact CB-CD2 4.42Å; L381-Y390 HydrophobicContact CD1-CD1 3.74Å; L381-Y390 HydrophobicContact CD1-CD2 3.59Å; L381-Y390 HydrophobicContact CD1-CE1 3.73Å; L381-Y390 HydrophobicContact CD1-CE2 3.59Å; L381-Y390 HydrophobicContact CD1-CG 3.66Å; L381-Y390 HydrophobicContact CG-CD2 3.83Å; L381-Y390 HydrophobicContact CG-CE2 4.24Å; L381-Y390 HydrophobicContact CG-CG 3.98Å
382E92.4Very high96.4Very high179 Ų17960.5 Ų60.584%0.83631%0.305SS*.  trans-97.7173.8-179.2-63.1-174.1171.900112.1E384 L385E382-E384 PolarHBondContact O-N 3.29Å; E382-L385 PolarHBondContact O-N 2.98Å
383G91.5Very high96.4Very high58 Ų5858.5 Ų58.560%0.59829%0.293SS*.G310 helixtrans63.6-134.217500000112.8L385 K386G383-L385 PolarHBondContact O-N 2.8Å; G383-K386 WeakPolarHBondContact O-CG 3.43Å; G383-K386 PolarHBondContact O-N 2.96Å
384E90.5Very high96.4Very high68 Ų6856 Ų5632%0.31828%0.28SS..G310 helixtrans-72.9-11.5-176.3-65.3177.113500113.5Q9 I10 T49 E382Q9-E384 WeakPolarHBondContact CA-OE2 3.42Å; Q9-E384 VanDerWaalsContact CB-OE1 3.27Å; Q9-E384 WeakPolarHBondContact CB-OE1 3.18Å; Q9-E384 WeakPolarHBondContact CG-OE1 3.38Å; I10-E384 HydrophobicContact CB-CB 4.19Å; I10-E384 WeakPolarHBondContact CB-OE2 3.38Å; I10-E384 WeakPolarHBondContact CG1-OE2 3.49Å; I10-E384 PolarHBondContact N-OE2 3.01Å; T49-E384 WeakPolarHBondContact CG2-O 3.23Å; E382-E384 PolarHBondContact O-N 3.29Å
385L95.2Very high96.4Very high16 Ų1655 Ų558%0.08427%0.273CS..G310 helixtrans-93.2-3.4178.8-56.3-176.9000113.5I10 V48 T49 N338 L381 E382 G383 D387 G388 Y390I10-L385 HydrophobicContact CD1-CD2 4.05Å; I10-L385 HydrophobicContact CD1-CG 4.18Å; I10-L385 HydrophobicContact CG2-CD2 3.98Å; V48-L385 HydrophobicContact CG1-CD2 3.89Å; T49-L385 HydrophobicContact CG2-CD2 4.18Å; N338-L385 HydrophobicContact CB-CD1 3.98Å; L381-L385 HydrophobicContact CB-CB 3.76Å; L381-L385 HydrophobicContact CD1-CB 4.07Å; L381-L385 HydrophobicContact CD1-CD1 3.72Å; E382-L385 PolarHBondContact O-N 2.98Å; G383-L385 PolarHBondContact O-N 2.8Å; L385-D387 PolarHBondContact O-N 2.87Å; L385-D387 VanDerWaalsContact O-N 3.16Å; L385-G388 PolarHBondContact O-N 2.77Å; L385-Y390 HydrophobicContact CB-CE2 4.04Å; L385-Y390 WeakPolarHBondContact O-CE2 3.5Å
386K95Very high96.4Very high122 Ų12254 Ų5453%0.5326%0.264SS..THydrogen-bonded Turntrans-58.7-30.8-17373.2-176.5-175.5175.90114.3L381 G383L381-K386 WeakPolarHBondContact O-CA 3.36Å; L381-K386 WeakPolarHBondContact O-CB 3.47Å; G383-K386 WeakPolarHBondContact O-CG 3.43Å; G383-K386 PolarHBondContact O-N 2.96Å
387D95.2Very high96.5Very high94 Ų9456.1 Ų56.150%0.50327%0.271SS..THydrogen-bonded Turntrans-95.6-1.5-177.6-62.4-46.8000112.2T49 L385 Y389T49-D387 WeakPolarHBondContact O-CB 3.22Å; L385-D387 PolarHBondContact O-N 2.87Å; L385-D387 VanDerWaalsContact O-N 3.16Å; D387-Y389 WeakPolarHBondContact O-CE1 3.47Å
388G96.9Very high96.6Very high1 Ų148 Ų481%0.0124%0.242CC..SBendtrans-74.1170.1173.400000113.7P47 V48 R378 L385 Y390P47-G388 VanDerWaalsContact O-CA 3.25Å; P47-G388 WeakPolarHBondContact O-CA 3.46Å; V48-G388 WeakPolarHBondContact O-CA 3.45Å; R378-G388 PolarHBondContact NH2-O 3.06Å; R378-G388 VanDerWaalsContact NH2-O 3.17Å; L385-G388 PolarHBondContact O-N 2.77Å; G388-Y390 PolarHBondContact O-N 2.64Å
389Y98.2Very high96.6Very high32 Ų3249.1 Ų49.113%0.12525%0.251CS..  trans-10464.7-167-49.2-32.8000112.7P47 A348 Q349 S351 H352 D387P47-Y389 HydrophobicContact CB-CD2 3.58Å; P47-Y389 HydrophobicContact CB-CE2 4.05Å; P47-Y389 HydrophobicContact CB-CG 4.5Å; P47-Y389 PolarHBondContact O-N 3.04Å; P47-Y389 VanDerWaalsContact O-N 3.09Å; A348-Y389 CarbonylContact C-O 3.6Å; A348-Y389 WeakPolarHBondContact CA-O 3.49Å; Q349-Y389 WeakPolarHBondContact CG-O 3.48Å; Q349-Y389 PolarHBondContact N-O 2.87Å; Q349-Y389 WeakPolarHBondContact O-CB 3.31Å; S351-Y389 VanDerWaalsContact CA-CD2 3.45Å; H352-Y389 HydrophobicContact CB-CD1 4.29Å; H352-Y389 HydrophobicContact CB-CE1 3.89Å; H352-Y389 HydrophobicContact CB-CE2 4.31Å; H352-Y389 VanDerWaalsContact N-CD2 3.29Å; D387-Y389 WeakPolarHBondContact O-CE1 3.47Å
390Y98.5Very high96.7Very high1 Ų146.7 Ų46.70%0.00424%0.241CC..  trans-96.1143.6-174.2-56.8-85.3000113.1V48 G337 A348 R378 K379 L381 L385 G388V48-Y390 PolarHBondContact O-OH 3.11Å; V48-Y390 VanDerWaalsContact O-OH 3.05Å; G337-Y390 VanDerWaalsContact O-CE1 3.3Å; G337-Y390 WeakPolarHBondContact O-CE1 3.24Å; A348-Y390 HydrophobicContact CB-CD1 3.97Å; A348-Y390 HydrophobicContact CB-CE1 3.68Å; A348-Y390 HydrophobicContact CB-CE2 4.43Å; A348-Y390 HydrophobicContact CB-CG 4.48Å; R378-Y390 VanDerWaalsContact CG-O 3.31Å; R378-Y390 WeakPolarHBondContact CG-O 3.42Å; K379-Y390 PolarHBondContact N-O 2.95Å; K379-Y390 WeakPolarHBondContact O-CB 3.28Å; L381-Y390 HydrophobicContact CB-CD2 4.42Å; L381-Y390 HydrophobicContact CD1-CD1 3.74Å; L381-Y390 HydrophobicContact CD1-CD2 3.59Å; L381-Y390 HydrophobicContact CD1-CE1 3.73Å; L381-Y390 HydrophobicContact CD1-CE2 3.59Å; L381-Y390 HydrophobicContact CD1-CG 3.66Å; L381-Y390 HydrophobicContact CG-CD2 3.83Å; L381-Y390 HydrophobicContact CG-CE2 4.24Å; L381-Y390 HydrophobicContact CG-CG 3.98Å; L385-Y390 HydrophobicContact CB-CE2 4.04Å; L385-Y390 WeakPolarHBondContact O-CE2 3.5Å; G388-Y390 PolarHBondContact O-N 2.64Å
391L98.2Very high96.8Very high1 Ų146.8 Ų46.81%0.00524%0.242CC..BIsolated β-bridgetrans-131.3154.4179.5-162.8121.2000109.9M346 L355 I358 L359 I362 P412M346-L391 WeakPolarHBondContact CE-O 3.32Å; L355-L391 HydrophobicContact CD1-CB 4.11Å; L355-L391 HydrophobicContact CD1-CD1 3.6Å; L355-L391 HydrophobicContact CD1-CG 4.46Å; I358-L391 HydrophobicContact CB-CD1 4.34Å; I358-L391 HydrophobicContact CG2-CD1 3.79Å; I358-L391 HydrophobicContact CG2-CD2 3.94Å; L359-L391 HydrophobicContact CD2-CD1 3.72Å; L359-L391 HydrophobicContact CG-CD1 3.97Å; I362-L391 HydrophobicContact CD1-CD1 4.4Å; I362-L391 HydrophobicContact CD1-CD2 4.19Å; L391-P412 HydrophobicContact CB-CG 4.44Å; L391-P412 HydrophobicContact CD2-CG 3.7Å
392E98.5Very high96.9Very high63 Ų6346.2 Ų46.229%0.29424%0.239SC..  trans-81.5133.6171.7-63.8177.3147.800110.3G375 R377 K379 T394G375-E392 WeakPolarHBondContact CA-OE2 3.36Å; R377-E392 WeakPolarHBondContact CB-OE2 3.48Å; R377-E392 PolarHBondContact O-N 3.38Å; K379-E392 HydrophobicContact CB-CG 4.13Å; E392-T394 PolarHBondContact O-N 3.22Å; E392-T394 VanDerWaalsContact O-N 3.1Å; E392-T394 PolarHBondContact O-OG1 2.98Å
393P98.6Very high97.2Very high13 Ų1342.1 Ų42.18%0.08422%0.216CC..  trans-60.4123.4175.129.2-31.6000108.2F299 V331 I334 M346F299-P393 HydrophobicContact CE2-CB 4.24Å; F299-P393 HydrophobicContact CZ-CB 4.11Å; V331-P393 HydrophobicContact CG1-CB 3.87Å; V331-P393 HydrophobicContact CG1-CG 3.92Å; I334-P393 HydrophobicContact CD1-CB 4.43Å; I334-P393 HydrophobicContact CD1-CG 4.43Å; M346-P393 HydrophobicContact CE-CB 4.28Å; M346-P393 HydrophobicContact CE-CG 4.25Å; M346-P393 HydrophobicContact SD-CB 4.06Å; M346-P393 HydrophobicContact SD-CG 4.5Å
394T98.9Very high97.6Very high0 Ų039.3 Ų39.30%019%0.187CC..EExtended strand (participates in β ladder)trans-114.4133.2-165.5-59.70000110.3I362 T374 G376 E392 L396 P412 V413 L414I362-T394 HydrophobicContact CD1-CG2 4.33Å; I362-T394 HydrophobicContact CG1-CG2 4.33Å; T374-T394 WeakPolarHBondContact O-CA 3.32Å; G376-T394 WeakPolarHBondContact CA-OG1 3.46Å; G376-T394 PolarHBondContact N-OG1 2.88Å; E392-T394 PolarHBondContact O-N 3.22Å; E392-T394 VanDerWaalsContact O-N 3.1Å; E392-T394 PolarHBondContact O-OG1 2.98Å; T394-L396 HydrophobicContact CG2-CD2 3.83Å; T394-L396 HydrophobicContact CG2-CG 4.13Å; T394-P412 PolarHBondContact N-O 3.1Å; T394-V413 HydrophobicContact CG2-CG1 4.32Å; T394-V413 CarbonylContact O-C 3.48Å; T394-V413 WeakPolarHBondContact O-CA 3.35Å; T394-L414 PolarHBondContact O-N 3.12Å
395I98.9Very high98Very high0 Ų036.1 Ų36.10%017%0.172CC..EExtended strand (participates in β ladder)trans-117125.5172.7-56.4173000108.5F296 F299 M324 I328 V331 L373 T374 L414 V416F296-I395 HydrophobicContact CE1-CD1 3.85Å; F296-I395 HydrophobicContact CZ-CD1 4.3Å; F299-I395 HydrophobicContact CE1-CG1 4.43Å; F299-I395 HydrophobicContact CZ-CG1 4.13Å; M324-I395 HydrophobicContact CE-CG2 4.16Å; I328-I395 HydrophobicContact CG1-CD1 4.04Å; V331-I395 HydrophobicContact CB-CD1 4.09Å; V331-I395 HydrophobicContact CG1-CD1 4.07Å; V331-I395 HydrophobicContact CG1-CG1 4.32Å; V331-I395 HydrophobicContact CG2-CD1 4.01Å; L373-I395 HydrophobicContact CB-CB 4.18Å; L373-I395 HydrophobicContact CB-CG2 4.14Å; L373-I395 HydrophobicContact CD1-CG2 3.9Å; L373-I395 HydrophobicContact CG-CG2 4.35Å; L373-I395 PolarHBondContact N-O 2.78Å; T374-I395 HydrophobicContact CG2-CB 4.12Å; T374-I395 HydrophobicContact CG2-CD1 3.8Å; T374-I395 HydrophobicContact CG2-CG1 3.82Å; T374-I395 PolarHBondContact O-N 2.77Å; T374-I395 VanDerWaalsContact O-N 3.15Å; I395-L414 WeakPolarHBondContact CA-O 3.37Å; I395-L414 HydrophobicContact CG1-CB 4.49Å; I395-V416 HydrophobicContact CG2-CB 4.44Å; I395-V416 HydrophobicContact CG2-CG2 3.4Å
396L98.9Very high98.1Very high0 Ų037.4 Ų37.40%018%0.178CC..EExtended strand (participates in β ladder)trans-114.2125.1177.2-57-179.3000109.4A370 D371 V372 T394 V404 V413 L414 A415 V416A370-L396 HydrophobicContact CB-CB 4.24Å; D371-L396 CarbonylContact O-C 3.53Å; D371-L396 VanDerWaalsContact O-CA 3.3Å; D371-L396 WeakPolarHBondContact O-CA 3.41Å; V372-L396 HydrophobicContact CB-CD2 4.32Å; V372-L396 HydrophobicContact CG1-CD2 4.45Å; V372-L396 HydrophobicContact CG2-CD2 3.76Å; T394-L396 HydrophobicContact CG2-CD2 3.83Å; T394-L396 HydrophobicContact CG2-CG 4.13Å; L396-V404 HydrophobicContact CD1-CB 4.28Å; L396-V404 HydrophobicContact CD1-CG1 4.09Å; L396-V404 HydrophobicContact CD1-CG2 4.25Å; L396-V413 HydrophobicContact CD1-CG1 3.83Å; L396-V413 HydrophobicContact CG-CG1 4.15Å; L396-L414 PolarHBondContact N-O 2.7Å; L396-A415 CarbonylContact O-C 3.47Å; L396-A415 WeakPolarHBondContact O-CA 3.23Å; L396-V416 PolarHBondContact O-N 3.1Å
397F98.9Very high98.3Very high49 Ų4934.2 Ų34.222%0.21517%0.165CC..EExtended strand (participates in β ladder)trans-94.1132.8170.7178.4-100.4000110.6Y320 A370 D371 L373 V416 T418Y320-F397 HydrophobicContact CE1-CE2 4.44Å; Y320-F397 AromaticContact CE2-CD2 3.85Å; Y320-F397 HydrophobicContact CE2-CD2 3.85Å; Y320-F397 AromaticContact CE2-CE2 3.69Å; Y320-F397 HydrophobicContact CE2-CE2 3.69Å; Y320-F397 AromaticContact CZ-CD2 3.69Å; Y320-F397 AromaticContact CZ-CE2 3.61Å; Y320-F397 WeakPolarHBondContact OH-CD2 3.48Å; Y320-F397 WeakPolarHBondContact OH-CE2 3.45Å; A370-F397 CarbonylContact C-O 3.53Å; A370-F397 WeakPolarHBondContact CA-O 3.36Å; A370-F397 WeakPolarHBondContact CB-O 3.07Å; D371-F397 HydrophobicContact CB-CB 4.34Å; D371-F397 PolarHBondContact N-O 2.72Å; D371-F397 PolarHBondContact O-N 2.73Å; L373-F397 HydrophobicContact CD1-CB 3.94Å; L373-F397 HydrophobicContact CD2-CB 4.13Å; L373-F397 HydrophobicContact CG-CB 4Å; F397-V416 WeakPolarHBondContact CA-O 3.39Å; F397-V416 HydrophobicContact CD2-CG1 4.5Å; F397-V416 WeakPolarHBondContact CD2-O 3.44Å; F397-T418 HydrophobicContact CE2-CG2 4.33Å
398G98.7Very high98.4Very high5 Ų531.6 Ų31.65%0.05215%0.149CC..  trans-172.6-152.9-176.900000114.4V416 T417G398-V416 PolarHBondContact N-O 2.8Å; G398-T417 VanDerWaalsContact O-CB 3.25Å; G398-T417 WeakPolarHBondContact O-CB 3.4Å; G398-T417 PolarHBondContact O-OG1 2.78Å
399Q98.4Very high98.5Very high107 Ų10731.9 Ų31.950%0.515%0.151SC..  trans-116.2144.9-175.4-61.3-61.8-26.900111N401 M402 F405Q399-N401 WeakPolarHBondContact CB-OD1 3.5Å; Q399-N401 PolarHBondContact O-N 3.1Å; Q399-M402 HydrophobicContact CB-CE 4.18Å; Q399-M402 HydrophobicContact CB-CG 4.45Å; Q399-M402 HydrophobicContact CG-CE 4.27Å; Q399-M402 PolarHBondContact N-SD 2.81Å; Q399-M402 WeakPolarHBondContact O-CB 3.27Å; Q399-M402 WeakPolarHBondContact O-CG 3.3Å; Q399-M402 PolarHBondContact O-N 3.24Å; Q399-F405 WeakPolarHBondContact O-CD2 3.37Å; Q399-F405 WeakPolarHBondContact O-CE2 3.4Å
400N98.2Very high98.5Very high9 Ų932.1 Ų32.15%0.04815%0.152CC..THydrogen-bonded Turntrans-60.4-23-172.7-169.565.5000114R312 M402 F405 Q406 L428 D431R312-N400 PolarHBondContact NH1-OD1 3.19Å; N400-M402 VanDerWaalsContact C-N 3.31Å; N400-M402 PolarHBondContact O-N 3.26Å; N400-F405 VanDerWaalsContact O-CB 3.22Å; N400-F405 WeakPolarHBondContact O-CB 3Å; N400-Q406 PolarHBondContact ND2-NE2 3.4Å; N400-Q406 WeakPolarHBondContact O-CG 3.4Å; N400-Q406 PolarHBondContact O-NE2 3.11Å; N400-L428 HydrophobicContact CB-CD2 3.78Å; N400-D431 PolarHBondContact ND2-O 3.15Å; N400-D431 PolarHBondContact ND2-OD2 3.36Å
401N97.6Very high98.5Very high132 Ų13232.2 Ų32.271%0.70615%0.153SC*.THydrogen-bonded Turntrans-79.7-7.4178.566.5-14.7000114.4Q399Q399-N401 WeakPolarHBondContact CB-OD1 3.5Å; Q399-N401 PolarHBondContact O-N 3.1Å
402M98.7Very high98.5Very high21 Ų2132.1 Ų32.110%0.10315%0.153CC..SBendtrans-69.7151.4175.5-66.5175.2178.700111.1E368 A370 Q399 N400 V404 F405 Q406E368-M402 HydrophobicContact CB-CG 4.2Å; E368-M402 HydrophobicContact CB-SD 4.48Å; E368-M402 WeakPolarHBondContact O-CE 3Å; E368-M402 WeakPolarHBondContact OE2-CA 3.49Å; E368-M402 VanDerWaalsContact OE2-CB 3.26Å; E368-M402 WeakPolarHBondContact OE2-CB 3.42Å; A370-M402 HydrophobicContact CB-SD 4.07Å; Q399-M402 HydrophobicContact CB-CE 4.18Å; Q399-M402 HydrophobicContact CB-CG 4.45Å; Q399-M402 HydrophobicContact CG-CE 4.27Å; Q399-M402 PolarHBondContact N-SD 2.81Å; Q399-M402 WeakPolarHBondContact O-CB 3.27Å; Q399-M402 WeakPolarHBondContact O-CG 3.3Å; Q399-M402 PolarHBondContact O-N 3.24Å; N400-M402 VanDerWaalsContact C-N 3.31Å; N400-M402 PolarHBondContact O-N 3.26Å; M402-V404 VanDerWaalsContact C-N 3.25Å; M402-V404 HydrophobicContact CB-CG2 4.19Å; M402-V404 PolarHBondContact O-N 2.92Å; M402-F405 HydrophobicContact CB-CD2 3.97Å; M402-F405 WeakPolarHBondContact O-CA 3.42Å; M402-F405 WeakPolarHBondContact O-CB 3.36Å; M402-F405 PolarHBondContact O-N 3.27Å; M402-F405 HydrophobicContact SD-CE2 4.37Å; M402-Q406 PolarHBondContact O-N 2.65Å
403R98.6Very high98.5Very high92 Ų9229.2 Ų29.235%0.34714%0.14SC..Hα-helixtrans-60.2-35.9-179.7-70.6-179.366.7-157-6.5112.4I364 E368 F405 Q406 E407I364-R403 HydrophobicContact CG2-CB 3.96Å; E368-R403 VanDerWaalsContact OE1-CD 3.32Å; E368-R403 WeakPolarHBondContact OE1-CD 3.14Å; E368-R403 WeakPolarHBondContact OE1-CG 3.29Å; E368-R403 PolarHBondContact OE2-N 3.18Å; R403-F405 PolarHBondContact O-N 3.43Å; R403-F405 VanDerWaalsContact O-N 3.16Å; R403-Q406 PolarHBondContact O-N 3.18Å; R403-E407 WeakPolarHBondContact CG-OE1 3.49Å; R403-E407 IonicContact CZ-OE1 3.49Å; R403-E407 IonicContact CZ-OE2 2.78Å; R403-E407 VanDerWaalsContact CZ-OE2 3.31Å; R403-E407 VanDerWaalsContact NE-CD 3.29Å; R403-E407 IonicContact NE-OE1 2.75Å; R403-E407 PolarHBondContact NE-OE1 2.84Å; R403-E407 IonicContact NE-OE2 3.56Å; R403-E407 PolarHBondContact NE-OE2 2.84Å; R403-E407 VanDerWaalsContact NE-OE2 3.12Å; R403-E407 IonicContact NH2-OE1 3.99Å; R403-E407 IonicContact NH2-OE2 3.55Å; R403-E407 PolarHBondContact NH2-OE2 3.01Å; R403-E407 WeakPolarHBondContact O-CB 3.45Å; R403-E407 PolarHBondContact O-N 3.29Å
404V98.4Very high98.5Very high0 Ų028.7 Ų28.70%014%0.136CC..Hα-helixtrans-65.7-15.7176.3-62.70000113.6K272 Y361 L396 M402 I409K272-V404 WeakPolarHBondContact CE-O 3.41Å; K272-V404 PolarHBondContact NZ-O 2.62Å; Y361-V404 VanDerWaalsContact O-CG1 3.27Å; Y361-V404 WeakPolarHBondContact O-CG1 3.26Å; L396-V404 HydrophobicContact CD1-CB 4.28Å; L396-V404 HydrophobicContact CD1-CG1 4.09Å; L396-V404 HydrophobicContact CD1-CG2 4.25Å; M402-V404 VanDerWaalsContact C-N 3.25Å; M402-V404 HydrophobicContact CB-CG2 4.19Å; M402-V404 PolarHBondContact O-N 2.92Å; V404-I409 HydrophobicContact CB-CD1 4.21Å; V404-I409 HydrophobicContact CG1-CD1 4.3Å
405F98.7Very high98.5Very high0 Ų028.7 Ų28.70%014%0.136CC..Hα-helixtrans-95-31.7168.7-72.4-102.8000112.2K272 R312 Q399 N400 M402 R403 A415 V416 T417K272-F405 VanDerWaalsContact CE-O 3.29Å; K272-F405 WeakPolarHBondContact CE-O 3.46Å; K272-F405 WeakPolarHBondContact CG-O 3.12Å; R312-F405 VanDerWaalsContact CD-O 3.25Å; R312-F405 WeakPolarHBondContact CD-O 3.48Å; R312-F405 HydrophobicContact CG-CD1 4.11Å; Q399-F405 WeakPolarHBondContact O-CD2 3.37Å; Q399-F405 WeakPolarHBondContact O-CE2 3.4Å; N400-F405 VanDerWaalsContact O-CB 3.22Å; N400-F405 WeakPolarHBondContact O-CB 3Å; M402-F405 HydrophobicContact CB-CD2 3.97Å; M402-F405 WeakPolarHBondContact O-CA 3.42Å; M402-F405 WeakPolarHBondContact O-CB 3.36Å; M402-F405 PolarHBondContact O-N 3.27Å; M402-F405 HydrophobicContact SD-CE2 4.37Å; R403-F405 PolarHBondContact O-N 3.43Å; R403-F405 VanDerWaalsContact O-N 3.16Å; F405-A415 HydrophobicContact CD1-CB 3.73Å; F405-A415 HydrophobicContact CD2-CB 3.72Å; F405-A415 HydrophobicContact CE1-CB 3.68Å; F405-A415 HydrophobicContact CE2-CB 3.7Å; F405-A415 HydrophobicContact CG-CB 3.77Å; F405-A415 HydrophobicContact CZ-CB 3.67Å; F405-V416 WeakPolarHBondContact CZ-O 3.01Å; F405-T417 HydrophobicContact CE1-CG2 3.93Å
406Q98.4Very high98.5Very high44 Ų4428.7 Ų28.721%0.20614%0.136CC..Hα-helixtrans-90.8-28-173.4-68.3-59.5-45.600114.4N400 M402 R403 D431 Y434N400-Q406 PolarHBondContact ND2-NE2 3.4Å; N400-Q406 WeakPolarHBondContact O-CG 3.4Å; N400-Q406 PolarHBondContact O-NE2 3.11Å; M402-Q406 PolarHBondContact O-N 2.65Å; R403-Q406 PolarHBondContact O-N 3.18Å; Q406-D431 PolarHBondContact NE2-O 2.69Å; Q406-Y434 WeakPolarHBondContact O-CE2 3.27Å
407E98.5Very high98.5Very high55 Ų5529 Ų2926%0.25714%0.138SC..SBendtrans-108.4144.2-173-63.4173.3-159.700111.8K272 Y361 R403 I409K272-E407 VanDerWaalsContact CD-O 3.26Å; K272-E407 WeakPolarHBondContact CD-O 3.4Å; K272-E407 WeakPolarHBondContact CE-O 3.06Å; K272-E407 PolarHBondContact NZ-O 3.12Å; Y361-E407 HydrophobicContact CE1-CB 3.9Å; Y361-E407 VanDerWaalsContact CE1-OE2 3.27Å; Y361-E407 WeakPolarHBondContact CE1-OE2 3.45Å; Y361-E407 PolarHBondContact OH-OE2 3.05Å; Y361-E407 VanDerWaalsContact OH-OE2 3.1Å; R403-E407 WeakPolarHBondContact CG-OE1 3.49Å; R403-E407 IonicContact CZ-OE1 3.49Å; R403-E407 IonicContact CZ-OE2 2.78Å; R403-E407 VanDerWaalsContact CZ-OE2 3.31Å; R403-E407 VanDerWaalsContact NE-CD 3.29Å; R403-E407 IonicContact NE-OE1 2.75Å; R403-E407 PolarHBondContact NE-OE1 2.84Å; R403-E407 IonicContact NE-OE2 3.56Å; R403-E407 PolarHBondContact NE-OE2 2.84Å; R403-E407 VanDerWaalsContact NE-OE2 3.12Å; R403-E407 IonicContact NH2-OE1 3.99Å; R403-E407 IonicContact NH2-OE2 3.55Å; R403-E407 PolarHBondContact NH2-OE2 3.01Å; R403-E407 WeakPolarHBondContact O-CB 3.45Å; R403-E407 PolarHBondContact O-N 3.29Å; E407-I409 PolarHBondContact O-N 2.85Å
408E98.4Very high98.5Very high38 Ų3828.1 Ų28.118%0.17814%0.136CC..  trans-73.4117.7175.4-175.5174.5-128.600109.4G270 G271 F410G270-E408 WeakPolarHBondContact CA-OE1 3.32Å; G270-E408 VanDerWaalsContact CA-OE2 3.27Å; G270-E408 WeakPolarHBondContact CA-OE2 3.18Å; G271-E408 PolarHBondContact N-OE1 2.72Å; G271-E408 WeakPolarHBondContact O-CB 3.38Å; G271-E408 WeakPolarHBondContact O-CG 3.47Å; E408-F410 HydrophobicContact CG-CB 4.26Å; E408-F410 HydrophobicContact CG-CD2 3.97Å; E408-F410 WeakPolarHBondContact OE1-CD2 3.4Å
409I98.3Very high98.5Very high7 Ų727.9 Ų27.94%0.03613%0.134CC..  trans-89.2-38.2179.1-57.9172.9000110.1Q354 I358 Y361 V404 E407 V413Q354-I409 PolarHBondContact NE2-O 2.87Å; I358-I409 HydrophobicContact CB-CG2 4.43Å; I358-I409 HydrophobicContact CG1-CG2 4.16Å; I358-I409 HydrophobicContact CG2-CG2 4.26Å; Y361-I409 HydrophobicContact CD1-CG1 3.95Å; Y361-I409 HydrophobicContact CD2-CB 4.24Å; Y361-I409 HydrophobicContact CD2-CG1 4.12Å; Y361-I409 HydrophobicContact CD2-CG2 3.93Å; Y361-I409 HydrophobicContact CE1-CG1 4.47Å; Y361-I409 HydrophobicContact CG-CB 4.33Å; Y361-I409 HydrophobicContact CG-CD1 4.39Å; Y361-I409 HydrophobicContact CG-CG1 3.75Å; Y361-I409 HydrophobicContact CG-CG2 4.06Å; V404-I409 HydrophobicContact CB-CD1 4.21Å; V404-I409 HydrophobicContact CG1-CD1 4.3Å; E407-I409 PolarHBondContact O-N 2.85Å; I409-V413 HydrophobicContact CD1-CB 4.07Å; I409-V413 HydrophobicContact CD1-CG1 3.94Å; I409-V413 HydrophobicContact CG2-CB 4.45Å; I409-V413 HydrophobicContact CG2-CG2 4.32Å
410F98.2Very high98.6Very high38 Ų3828.4 Ų28.417%0.16714%0.135CC..  trans60.652-179.7-143.4-100.9000113W170 N171 G304 E305 C307 Q354 E408W170-F410 AromaticContact CH2-CD1 3.31Å; W170-F410 HydrophobicContact CH2-CD1 3.31Å; W170-F410 AromaticContact CH2-CE1 3.24Å; W170-F410 HydrophobicContact CH2-CE1 3.24Å; W170-F410 AromaticContact CZ2-CD1 3.52Å; W170-F410 HydrophobicContact CZ2-CD1 3.52Å; W170-F410 AromaticContact CZ2-CE1 3.44Å; W170-F410 HydrophobicContact CZ2-CE1 3.44Å; W170-F410 VanDerWaalsContact CZ2-CE1 3.44Å; W170-F410 HydrophobicContact CZ3-CD1 4.27Å; W170-F410 AromaticContact CZ3-CE1 3.83Å; W170-F410 HydrophobicContact CZ3-CE1 3.83Å; N171-F410 HydrophobicContact CB-CE1 3.87Å; N171-F410 HydrophobicContact CB-CZ 4.01Å; N171-F410 VanDerWaalsContact ND2-CZ 3.34Å; N171-F410 WeakPolarHBondContact ND2-CZ 3.44Å; G304-F410 CarbonylContact O-C 3.6Å; E305-F410 HydrophobicContact CB-CD1 3.88Å; E305-F410 HydrophobicContact CB-CE1 3.82Å; E305-F410 HydrophobicContact CG-CD1 4.21Å; E305-F410 WeakPolarHBondContact CG-O 3.37Å; C307-F410 HydrophobicContact CB-CE2 4.31Å; Q354-F410 PolarHBondContact NE2-O 2.79Å; E408-F410 HydrophobicContact CG-CB 4.26Å; E408-F410 HydrophobicContact CG-CD2 3.97Å; E408-F410 WeakPolarHBondContact OE1-CD2 3.4Å
411G98.6Very high98.6Very high2 Ų231 Ų312%0.02115%0.151CC..SBendtrans-162-178.1177.800000110.1Q303 G304 V413Q303-G411 CarbonylContact O-C 3.23Å; Q303-G411 WeakPolarHBondContact O-CA 3.43Å; G304-G411 PolarHBondContact O-N 3.49Å; G411-V413 PolarHBondContact O-N 2.84Å
412P98.4Very high98.6Very high0 Ų026.7 Ų26.70%013%0.127CC..SBendtrans-85.263.3-170.134-28.9000109.5F299 Q303 M346 L391 T394F299-P412 HydrophobicContact CE2-CB 4.46Å; F299-P412 WeakPolarHBondContact CE2-O 3.41Å; Q303-P412 WeakPolarHBondContact O-CB 3.45Å; Q303-P412 WeakPolarHBondContact O-CD 3.47Å; Q303-P412 WeakPolarHBondContact O-CG 3.25Å; M346-P412 HydrophobicContact SD-CB 3.83Å; M346-P412 HydrophobicContact SD-CG 4.13Å; L391-P412 HydrophobicContact CB-CG 4.44Å; L391-P412 HydrophobicContact CD2-CG 3.7Å; T394-P412 PolarHBondContact N-O 3.1Å
413V98.9Very high98.6Very high2 Ų231.4 Ų31.41%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-127.7116.9179.9-1740000108.8I358 I362 T394 L396 I409 G411I358-V413 HydrophobicContact CG2-CG2 3.65Å; I362-V413 HydrophobicContact CD1-CG2 3.94Å; I362-V413 HydrophobicContact CG1-CG1 4.36Å; I362-V413 HydrophobicContact CG1-CG2 3.88Å; T394-V413 HydrophobicContact CG2-CG1 4.32Å; T394-V413 CarbonylContact O-C 3.48Å; T394-V413 WeakPolarHBondContact O-CA 3.35Å; L396-V413 HydrophobicContact CD1-CG1 3.83Å; L396-V413 HydrophobicContact CG-CG1 4.15Å; I409-V413 HydrophobicContact CD1-CB 4.07Å; I409-V413 HydrophobicContact CD1-CG1 3.94Å; I409-V413 HydrophobicContact CG2-CB 4.45Å; I409-V413 HydrophobicContact CG2-CG2 4.32Å; G411-V413 PolarHBondContact O-N 2.84Å
414L98.9Very high98.6Very high1 Ų130 Ų301%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-104.2123.3178.1-179.657.8000110.4F296 F299 P310 A313 T394 I395 L396 V416F296-L414 HydrophobicContact CD1-CD2 4.06Å; F296-L414 HydrophobicContact CD2-CD2 4.23Å; F296-L414 HydrophobicContact CE1-CD2 3.47Å; F296-L414 VanDerWaalsContact CE1-CD2 3.47Å; F296-L414 HydrophobicContact CE2-CD2 3.69Å; F296-L414 HydrophobicContact CG-CD2 4.41Å; F296-L414 HydrophobicContact CZ-CD2 3.27Å; F296-L414 HydrophobicContact CZ-CG 4.49Å; F299-L414 HydrophobicContact CB-CB 4.4Å; F299-L414 HydrophobicContact CB-CD1 4.44Å; F299-L414 HydrophobicContact CD1-CB 3.88Å; F299-L414 HydrophobicContact CD1-CD2 3.71Å; F299-L414 HydrophobicContact CD1-CG 4.31Å; F299-L414 HydrophobicContact CD2-CB 3.81Å; F299-L414 HydrophobicContact CE1-CB 4.02Å; F299-L414 HydrophobicContact CE1-CD2 3.93Å; F299-L414 HydrophobicContact CE2-CB 3.96Å; F299-L414 HydrophobicContact CG-CB 3.76Å; F299-L414 HydrophobicContact CG-CD2 4.3Å; F299-L414 HydrophobicContact CG-CG 4.45Å; F299-L414 HydrophobicContact CZ-CB 4.06Å; P310-L414 WeakPolarHBondContact O-CD1 3.49Å; A313-L414 HydrophobicContact CB-CD1 3.94Å; A313-L414 HydrophobicContact CB-CD2 4.06Å; A313-L414 HydrophobicContact CB-CG 4.24Å; T394-L414 PolarHBondContact O-N 3.12Å; I395-L414 WeakPolarHBondContact CA-O 3.37Å; I395-L414 HydrophobicContact CG1-CB 4.49Å; L396-L414 PolarHBondContact N-O 2.7Å; L414-V416 HydrophobicContact CD2-CG2 4.04Å; L414-V416 HydrophobicContact CG-CG2 3.84Å
415A98.9Very high98.7Very high1 Ų130 Ų301%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-91.2126.3169.600000109.7S311 R312 A313 L396 F405S311-A415 PolarHBondContact O-N 2.74Å; R312-A415 CarbonylContact C-O 3.52Å; R312-A415 VanDerWaalsContact CA-O 3.27Å; R312-A415 WeakPolarHBondContact CA-O 3.49Å; A313-A415 PolarHBondContact N-O 3.47Å; L396-A415 CarbonylContact O-C 3.47Å; L396-A415 WeakPolarHBondContact O-CA 3.23Å; F405-A415 HydrophobicContact CD1-CB 3.73Å; F405-A415 HydrophobicContact CD2-CB 3.72Å; F405-A415 HydrophobicContact CE1-CB 3.68Å; F405-A415 HydrophobicContact CE2-CB 3.7Å; F405-A415 HydrophobicContact CG-CB 3.77Å; F405-A415 HydrophobicContact CZ-CB 3.67Å
416V98.9Very high98.7Very high0 Ų031.6 Ų31.60%016%0.155CC..EExtended strand (participates in β ladder)trans-120.2131.6-173.7-174.10000110.3F296 A313 V315 Y320 M324 I395 L396 F397 G398 F405 L414F296-V416 HydrophobicContact CE2-CG2 4.28Å; F296-V416 HydrophobicContact CZ-CG2 3.99Å; A313-V416 HydrophobicContact CB-CG1 4.42Å; A313-V416 HydrophobicContact CB-CG2 4.16Å; A313-V416 WeakPolarHBondContact O-CA 3.33Å; V315-V416 HydrophobicContact CG2-CG1 4.39Å; Y320-V416 HydrophobicContact CE2-CG1 4.2Å; M324-V416 HydrophobicContact CE-CG1 4.16Å; M324-V416 HydrophobicContact CE-CG2 4.27Å; M324-V416 HydrophobicContact SD-CG1 3.98Å; I395-V416 HydrophobicContact CG2-CB 4.44Å; I395-V416 HydrophobicContact CG2-CG2 3.4Å; L396-V416 PolarHBondContact O-N 3.1Å; F397-V416 WeakPolarHBondContact CA-O 3.39Å; F397-V416 HydrophobicContact CD2-CG1 4.5Å; F397-V416 WeakPolarHBondContact CD2-O 3.44Å; G398-V416 PolarHBondContact N-O 2.8Å; F405-V416 WeakPolarHBondContact CZ-O 3.01Å; L414-V416 HydrophobicContact CD2-CG2 4.04Å; L414-V416 HydrophobicContact CG-CG2 3.84Å
417T98.8Very high98.7Very high6 Ų636.4 Ų36.44%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-140.9179.2168.3-161.20000110.5A313 L314 V315 G398 F405 L428A313-T417 PolarHBondContact O-N 3.36Å; L314-T417 HydrophobicContact CD2-CG2 3.48Å; L314-T417 VanDerWaalsContact CD2-CG2 3.48Å; V315-T417 PolarHBondContact N-O 2.93Å; G398-T417 VanDerWaalsContact O-CB 3.25Å; G398-T417 WeakPolarHBondContact O-CB 3.4Å; G398-T417 PolarHBondContact O-OG1 2.78Å; F405-T417 HydrophobicContact CE1-CG2 3.93Å; T417-L428 HydrophobicContact CG2-CD1 4.49Å
418T98.9Very high98.7Very high30 Ų3035.2 Ų35.218%0.18417%0.173CC..EExtended strand (participates in β ladder)trans-113.5163.2-178.960.50000112.7V315 Y320 F397V315-T418 WeakPolarHBondContact O-CA 3.06Å; V315-T418 WeakPolarHBondContact O-CB 3.27Å; Y320-T418 HydrophobicContact CD1-CG2 4.48Å; Y320-T418 HydrophobicContact CD2-CG2 3.32Å; Y320-T418 HydrophobicContact CE2-CG2 3.94Å; Y320-T418 HydrophobicContact CG-CG2 3.64Å; F397-T418 HydrophobicContact CE2-CG2 4.33Å
419F98.9Very high98.7Very high0 Ų033.5 Ų33.50%017%0.165CC..EExtended strand (participates in β ladder)trans-143.7158.1169.568.4-89.5000109.5I276 F278 L314 V315 Q316 E317 T421 E424 A425 L428I276-F419 HydrophobicContact CG2-CE1 3.63Å; I276-F419 HydrophobicContact CG2-CZ 3.73Å; F278-F419 AromaticContact CD1-CE2 3.77Å; F278-F419 HydrophobicContact CD1-CE2 3.77Å; F278-F419 AromaticContact CD1-CZ 3.82Å; F278-F419 HydrophobicContact CD1-CZ 3.82Å; F278-F419 AromaticContact CE1-CE2 3.52Å; F278-F419 HydrophobicContact CE1-CE2 3.52Å; F278-F419 AromaticContact CE1-CZ 3.8Å; F278-F419 HydrophobicContact CE1-CZ 3.8Å; F278-F419 HydrophobicContact CE2-CZ 4.49Å; F278-F419 HydrophobicContact CG-CZ 4.22Å; F278-F419 HydrophobicContact CZ-CE2 4.15Å; F278-F419 HydrophobicContact CZ-CZ 4.14Å; L314-F419 HydrophobicContact CB-CD1 3.8Å; L314-F419 HydrophobicContact CB-CE1 4.08Å; L314-F419 WeakPolarHBondContact O-CE1 3.48Å; V315-F419 PolarHBondContact O-N 3.35Å; Q316-F419 CarbonylContact C-O 3.57Å; Q316-F419 VanDerWaalsContact CA-O 3.32Å; Q316-F419 WeakPolarHBondContact CA-O 3.34Å; Q316-F419 HydrophobicContact CB-CD2 4.41Å; Q316-F419 HydrophobicContact CB-CE1 4.1Å; Q316-F419 HydrophobicContact CB-CE2 3.77Å; Q316-F419 HydrophobicContact CB-CZ 3.62Å; Q316-F419 HydrophobicContact CG-CD2 4.16Å; Q316-F419 HydrophobicContact CG-CE2 3.72Å; Q316-F419 HydrophobicContact CG-CZ 4.12Å; Q316-F419 VanDerWaalsContact N-CE1 3.34Å; E317-F419 PolarHBondContact N-O 3.01Å; F419-T421 VanDerWaalsContact CD2-O 3.23Å; F419-T421 WeakPolarHBondContact CD2-O 3.38Å; F419-E424 HydrophobicContact CB-CB 4.44Å; F419-E424 HydrophobicContact CB-CG 4.1Å; F419-A425 HydrophobicContact CB-CB 4.41Å; F419-A425 HydrophobicContact CD1-CB 4.19Å; F419-A425 HydrophobicContact CD2-CB 3.63Å; F419-A425 HydrophobicContact CE1-CB 4.34Å; F419-A425 HydrophobicContact CE2-CB 3.81Å; F419-A425 HydrophobicContact CG-CB 3.81Å; F419-A425 HydrophobicContact CZ-CB 4.14Å; F419-L428 HydrophobicContact CB-CD1 4.06Å
420K98.8Very high98.7Very high118 Ų11834.7 Ų34.751%0.51317%0.171SC..SBendtrans-102.9-42.3-179.7-60177.8-174.4-174.70111.9Q316 E317 E424Q316-K420 PolarHBondContact NE2-O 3.03Å; E317-K420 HydrophobicContact CB-CG 4.3Å; E317-K420 VanDerWaalsContact CD-CE 3.49Å; E317-K420 VanDerWaalsContact OE1-CE 3.24Å; E317-K420 WeakPolarHBondContact OE1-CE 3.25Å; E317-K420 IonicContact OE1-NZ 3.84Å; E317-K420 WeakPolarHBondContact OE2-CE 3.45Å; E317-K420 WeakPolarHBondContact OE2-CG 3.25Å; E317-K420 IonicContact OE2-NZ 3.93Å; K420-E424 WeakPolarHBondContact CB-OE2 3.42Å; K420-E424 PolarHBondContact N-OE2 3.09Å
421T98.7Very high98.8Very high64 Ų6437 Ų3739%0.39319%0.185SC..SBendtrans-121.6164-174.171.80000112.8F419 E423 E424 A425F419-T421 VanDerWaalsContact CD2-O 3.23Å; F419-T421 WeakPolarHBondContact CD2-O 3.38Å; T421-E423 WeakPolarHBondContact CB-OE2 3.35Å; T421-E423 PolarHBondContact O-N 3.31Å; T421-E423 PolarHBondContact OG1-OE2 3.14Å; T421-E424 PolarHBondContact O-N 3Å; T421-E424 PolarHBondContact OG1-N 2.85Å; T421-A425 PolarHBondContact O-N 3.35Å
422M98.5Very high98.7Very high42 Ų4237.6 Ų37.621%0.20719%0.188CC..Hα-helixtrans-60.9-38.1175.1-174.2-166.771.200111.3F278 A425 L426 L447 K450 M451F278-M422 HydrophobicContact CE1-CB 4.32Å; F278-M422 HydrophobicContact CZ-CG 4.32Å; M422-A425 WeakPolarHBondContact O-CB 3.45Å; M422-A425 PolarHBondContact O-N 3.31Å; M422-L426 PolarHBondContact O-N 3.01Å; M422-L447 HydrophobicContact CB-CD1 4.15Å; M422-L447 HydrophobicContact CG-CD1 3.67Å; M422-L447 HydrophobicContact SD-CD1 3.57Å; M422-L447 VanDerWaalsContact SD-CD1 3.57Å; M422-K450 HydrophobicContact SD-CB 4.06Å; M422-K450 HydrophobicContact SD-CD 4.31Å; M422-M451 HydrophobicContact CG-CG 4.02Å; M422-M451 HydrophobicContact CG-SD 3.32Å; M422-M451 WeakPolarHBondContact CG-SD 3.48Å; M422-M451 HydrophobicContact SD-SD 4.3Å
423E98.7Very high98.7Very high119 Ų11942.3 Ų42.356%0.55621%0.211SC*.Hα-helixtrans-63.9-45.6179.6-64.770-153.800111T421 L426 E427T421-E423 WeakPolarHBondContact CB-OE2 3.35Å; T421-E423 PolarHBondContact O-N 3.31Å; T421-E423 PolarHBondContact OG1-OE2 3.14Å; E423-L426 PolarHBondContact O-N 3.21Å; E423-E427 PolarHBondContact O-N 3.38Å
424E98.8Very high98.7Very high63 Ų6343.5 Ų43.529%0.29422%0.215SC..Hα-helixtrans-64.4-40.8174.9-175.7-179.6-171.400111.4F419 K420 T421 L426 E427 L428F419-E424 HydrophobicContact CB-CB 4.44Å; F419-E424 HydrophobicContact CB-CG 4.1Å; K420-E424 WeakPolarHBondContact CB-OE2 3.42Å; K420-E424 PolarHBondContact N-OE2 3.09Å; T421-E424 PolarHBondContact O-N 3Å; T421-E424 PolarHBondContact OG1-N 2.85Å; E424-L426 VanDerWaalsContact C-N 3.3Å; E424-L426 PolarHBondContact O-N 3.04Å; E424-E427 PolarHBondContact O-N 3.43Å; E424-L428 HydrophobicContact CG-CD1 4.13Å; E424-L428 HydrophobicContact CG-CG 4.45Å; E424-L428 WeakPolarHBondContact O-CB 3.37Å; E424-L428 WeakPolarHBondContact O-CG 3.39Å; E424-L428 PolarHBondContact O-N 3.13Å
425A98.9Very high98.6Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-59.6-40.9174.800000112.1I276 F278 F419 T421 M422 A429 M451I276-A425 HydrophobicContact CG2-CB 4.16Å; F278-A425 HydrophobicContact CZ-CB 4.25Å; F419-A425 HydrophobicContact CB-CB 4.41Å; F419-A425 HydrophobicContact CD1-CB 4.19Å; F419-A425 HydrophobicContact CD2-CB 3.63Å; F419-A425 HydrophobicContact CE1-CB 4.34Å; F419-A425 HydrophobicContact CE2-CB 3.81Å; F419-A425 HydrophobicContact CG-CB 3.81Å; F419-A425 HydrophobicContact CZ-CB 4.14Å; T421-A425 PolarHBondContact O-N 3.35Å; M422-A425 WeakPolarHBondContact O-CB 3.45Å; M422-A425 PolarHBondContact O-N 3.31Å; A425-A429 WeakPolarHBondContact O-CB 3.4Å; A425-A429 PolarHBondContact O-N 3.24Å; A425-M451 HydrophobicContact CB-CE 3.87Å
426L98.7Very high98.6Very high34 Ų3443.7 Ų43.718%0.17822%0.216CC..Hα-helixtrans-67.3-40.9176.2-78.4173.5000112.3M422 E423 E424 N430 M451 I455M422-L426 PolarHBondContact O-N 3.01Å; E423-L426 PolarHBondContact O-N 3.21Å; E424-L426 VanDerWaalsContact C-N 3.3Å; E424-L426 PolarHBondContact O-N 3.04Å; L426-N430 VanDerWaalsContact O-CB 3.24Å; L426-N430 WeakPolarHBondContact O-CB 3.16Å; L426-N430 VanDerWaalsContact O-CG 3.29Å; L426-N430 PolarHBondContact O-N 3.09Å; L426-N430 PolarHBondContact O-ND2 2.78Å; L426-N430 VanDerWaalsContact O-ND2 3.08Å; L426-M451 HydrophobicContact CD1-SD 4.2Å; L426-M451 HydrophobicContact CD2-CE 3.78Å; L426-M451 HydrophobicContact CD2-SD 3.76Å; L426-M451 HydrophobicContact CG-CE 3.94Å; L426-M451 HydrophobicContact CG-SD 3.59Å; L426-M451 VanDerWaalsContact CG-SD 3.59Å; L426-I455 HydrophobicContact CD2-CG1 3.98Å
427E98.8Very high98.6Very high145 Ų14543.8 Ų43.868%0.67822%0.217SC*.Hα-helixtrans-59.5-55.2175.7-175.7175.6177.400110.4E423 E424 A429 N430 D431E423-E427 PolarHBondContact O-N 3.38Å; E424-E427 PolarHBondContact O-N 3.43Å; E427-A429 PolarHBondContact O-N 3.49Å; E427-N430 CarbonylContact O-C 3.46Å; E427-N430 PolarHBondContact O-N 3Å; E427-D431 WeakPolarHBondContact O-CB 3.35Å; E427-D431 PolarHBondContact O-N 2.88Å
428L98.8Very high98.6Very high30 Ų3043.5 Ų43.516%0.15722%0.216CC..Hα-helixtrans-61-42.9179.3-68.9176.5000112.9R312 L314 N400 T417 F419 E424 N430 D431R312-L428 PolarHBondContact NH1-O 3Å; L314-L428 HydrophobicContact CD1-CB 3.76Å; L314-L428 HydrophobicContact CD2-CB 4.44Å; N400-L428 HydrophobicContact CB-CD2 3.78Å; T417-L428 HydrophobicContact CG2-CD1 4.49Å; F419-L428 HydrophobicContact CB-CD1 4.06Å; E424-L428 HydrophobicContact CG-CD1 4.13Å; E424-L428 HydrophobicContact CG-CG 4.45Å; E424-L428 WeakPolarHBondContact O-CB 3.37Å; E424-L428 WeakPolarHBondContact O-CG 3.39Å; E424-L428 PolarHBondContact O-N 3.13Å; L428-N430 VanDerWaalsContact C-N 3.28Å; L428-N430 PolarHBondContact O-N 3.05Å; L428-D431 PolarHBondContact O-N 3.15Å
429A98.8Very high98.6Very high2 Ų242 Ų422%0.01721%0.207CC..Hα-helixtrans-61.3-40.4178.800000111.6P274 I276 R312 L314 A425 E427 I455P274-A429 HydrophobicContact CB-CB 3.91Å; P274-A429 HydrophobicContact CG-CB 3.83Å; I276-A429 HydrophobicContact CD1-CB 3.79Å; R312-A429 PolarHBondContact NH2-O 2.75Å; L314-A429 HydrophobicContact CD1-CB 4.17Å; A425-A429 WeakPolarHBondContact O-CB 3.4Å; A425-A429 PolarHBondContact O-N 3.24Å; E427-A429 PolarHBondContact O-N 3.49Å; A429-I455 HydrophobicContact CB-CG1 4.29Å
430N98.8Very high98.6Very high32 Ų3242 Ų4217%0.17121%0.207CC..Hα-helixtrans-87.8-15-177-69.5-35.3000114.1L426 E427 L428 T432 G454 Q456 K478L426-N430 VanDerWaalsContact O-CB 3.24Å; L426-N430 WeakPolarHBondContact O-CB 3.16Å; L426-N430 VanDerWaalsContact O-CG 3.29Å; L426-N430 PolarHBondContact O-N 3.09Å; L426-N430 PolarHBondContact O-ND2 2.78Å; L426-N430 VanDerWaalsContact O-ND2 3.08Å; E427-N430 CarbonylContact O-C 3.46Å; E427-N430 PolarHBondContact O-N 3Å; L428-N430 VanDerWaalsContact C-N 3.28Å; L428-N430 PolarHBondContact O-N 3.05Å; N430-T432 PolarHBondContact O-N 2.88Å; N430-G454 PolarHBondContact ND2-O 2.83Å; N430-Q456 WeakPolarHBondContact OD1-CB 3.3Å; N430-Q456 PolarHBondContact OD1-N 3.15Å; N430-K478 PolarHBondContact O-NZ 2.87Å
431D98.5Very high98.6Very high86 Ų8636.6 Ų36.646%0.4618%0.183SC..SBendtrans-75.271.1175-177.136000111.4N400 Q406 E427 L428N400-D431 PolarHBondContact ND2-O 3.15Å; N400-D431 PolarHBondContact ND2-OD2 3.36Å; Q406-D431 PolarHBondContact NE2-O 2.69Å; E427-D431 WeakPolarHBondContact O-CB 3.35Å; E427-D431 PolarHBondContact O-N 2.88Å; L428-D431 PolarHBondContact O-N 3.15Å
432T98Very high98.6Very high14 Ų1433.5 Ų33.59%0.08616%0.164CC..SBendtrans-164.3152.5174.6179.50000109.1N430 Y434 K478N430-T432 PolarHBondContact O-N 2.88Å; T432-Y434 VanDerWaalsContact CG2-O 3.3Å; T432-Y434 WeakPolarHBondContact CG2-O 3.42Å; T432-Y434 PolarHBondContact O-N 3.18Å; T432-Y434 PolarHBondContact OG1-N 3.14Å; T432-K478 PolarHBondContact O-NZ 3.28Å
433Q97.5Very high98.6Very high100 Ų10035.1 Ų35.147%0.46717%0.168SC..SBendtrans-71.1-18.1171.866.4178.71.400113.5K478 Q479Q433-K478 WeakPolarHBondContact O-CB 3.26Å; Q433-Q479 HydrophobicContact CB-CG 4.31Å; Q433-Q479 PolarHBondContact O-N 3.21Å
434Y98.5Very high98.6Very high26 Ų2633.2 Ų33.210%0.10216%0.162CC..EExtended strand (participates in β ladder)trans-88153.7-176.5-61-71.6000112.2G270 K272 Q406 T432 S480G270-Y434 VanDerWaalsContact O-CD1 3.31Å; G270-Y434 WeakPolarHBondContact O-CD1 3.16Å; K272-Y434 HydrophobicContact CB-CD2 3.48Å; K272-Y434 VanDerWaalsContact CB-CD2 3.48Å; K272-Y434 HydrophobicContact CB-CE2 4.12Å; K272-Y434 HydrophobicContact CB-CG 4.15Å; Q406-Y434 WeakPolarHBondContact O-CE2 3.27Å; T432-Y434 VanDerWaalsContact CG2-O 3.3Å; T432-Y434 WeakPolarHBondContact CG2-O 3.42Å; T432-Y434 PolarHBondContact O-N 3.18Å; T432-Y434 PolarHBondContact OG1-N 3.14Å; Y434-S480 WeakPolarHBondContact CA-OG 3.25Å
435G98.1Very high98.5Very high3 Ų332.7 Ų32.73%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-155.737.4-17900000112.7Q456 A457 G458 Y477 S480G435-Q456 WeakPolarHBondContact CA-O 3.44Å; G435-A457 CarbonylContact O-C 3.43Å; G435-A457 VanDerWaalsContact O-CA 3.28Å; G435-A457 WeakPolarHBondContact O-CA 3.27Å; G435-G458 PolarHBondContact O-N 2.78Å; G435-Y477 PolarHBondContact O-N 2.82Å; G435-S480 PolarHBondContact N-OG 2.93Å
436L98.5Very high98.5Very high3 Ų338.5 Ų38.52%0.01620%0.204CC..SBendtrans-80.5-64.2-178.9-166.960.6000112.1L269 C307 T308 G458 R459 F474 S480L269-L436 WeakPolarHBondContact O-CD2 3.35Å; C307-L436 HydrophobicContact CB-CD2 3.57Å; T308-L436 HydrophobicContact CG2-CB 4.17Å; T308-L436 HydrophobicContact CG2-CD2 3.48Å; T308-L436 VanDerWaalsContact CG2-CD2 3.48Å; T308-L436 HydrophobicContact CG2-CG 3.48Å; T308-L436 VanDerWaalsContact CG2-CG 3.48Å; L436-G458 PolarHBondContact O-N 2.91Å; L436-R459 PolarHBondContact O-N 3.33Å; L436-F474 HydrophobicContact CD1-CE1 4.07Å; L436-F474 HydrophobicContact CD1-CZ 4.18Å; L436-F474 HydrophobicContact CD2-CE1 4.47Å; L436-F474 HydrophobicContact CD2-CZ 4.11Å; L436-F474 HydrophobicContact CG-CZ 4.15Å; L436-S480 PolarHBondContact N-OG 3.17Å
437G98.3Very high98.5Very high2 Ų238.5 Ų38.52%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-124.6158.5-175.300000112.6S273 R459S273-G437 WeakPolarHBondContact CA-O 3.09Å; S273-G437 WeakPolarHBondContact CB-O 3.32Å; S273-G437 PolarHBondContact OG-O 3.09Å; G437-R459 CarbonylContact C-O 3.3Å; G437-R459 VanDerWaalsContact CA-O 3.25Å; G437-R459 WeakPolarHBondContact CA-O 3.42Å
438A98.8Very high98.5Very high0 Ų031.8 Ų31.80%017%0.174CC..EExtended strand (participates in β ladder)trans-155.6157.7167.300000112.1P274 I455 A457 R459 V460 W461P274-A438 HydrophobicContact CG-CB 3.92Å; P274-A438 CarbonylContact O-C 3.59Å; P274-A438 VanDerWaalsContact O-CA 3.27Å; P274-A438 WeakPolarHBondContact O-CA 3.24Å; A438-I455 HydrophobicContact CB-CD1 4.22Å; A438-I455 HydrophobicContact CB-CG2 3.56Å; A438-A457 HydrophobicContact CB-CB 3.99Å; A438-R459 PolarHBondContact N-O 3.04Å; A438-V460 HydrophobicContact CB-CG1 4.27Å; A438-V460 HydrophobicContact CB-CG2 4.28Å; A438-V460 CarbonylContact O-C 3.54Å; A438-V460 WeakPolarHBondContact O-CA 3.32Å; A438-W461 PolarHBondContact O-N 3.08Å
439G98.8Very high98.5Very high0 Ų037.8 Ų37.80%020%0.195CC..EExtended strand (participates in β ladder)trans-124.3141.3178.500000112P274 I276 W461 Y465P274-G439 PolarHBondContact O-N 3.08Å; I276-G439 PolarHBondContact N-O 2.84Å; G439-W461 CarbonylContact C-O 3.56Å; G439-W461 VanDerWaalsContact CA-O 3.3Å; G439-W461 WeakPolarHBondContact CA-O 3.46Å; G439-Y465 VanDerWaalsContact CA-CE2 3.44Å
440V98.9Very high98.5Very high0 Ų043.7 Ų43.70%022%0.221CC..EExtended strand (participates in β ladder)trans-134.2125.7175.4-179.10000109.4F278 A448 M451 I455 V460 W461 T462 N463F278-V440 HydrophobicContact CE2-CG1 4.38Å; V440-A448 HydrophobicContact CG1-CB 4.42Å; V440-M451 HydrophobicContact CG1-CB 3.81Å; V440-M451 HydrophobicContact CG1-CG 4.43Å; V440-M451 HydrophobicContact CG2-CB 3.94Å; V440-I455 HydrophobicContact CG2-CD1 3.47Å; V440-I455 VanDerWaalsContact CG2-CD1 3.47Å; V440-V460 HydrophobicContact CG2-CG1 4.02Å; V440-W461 PolarHBondContact N-O 3.36Å; V440-T462 HydrophobicContact CB-CG2 4.47Å; V440-T462 CarbonylContact O-C 3.56Å; V440-T462 WeakPolarHBondContact O-CA 3.31Å; V440-N463 PolarHBondContact O-N 3.35Å
441W98.9Very high98.5Very high3 Ų342.1 Ų42.11%0.01121%0.212CC..EExtended strand (participates in β ladder)trans-120.9113.2178.5-58.586.2000109.7N275 I276 F277 F278 V281 K291 A292 N463N275-W441 VanDerWaalsContact OD1-CD1 3.26Å; N275-W441 PolarHBondContact OD1-NE1 3.06Å; I276-W441 PolarHBondContact O-N 2.89Å; F277-W441 HydrophobicContact CD1-CB 3.72Å; F277-W441 AromaticContact CD1-CD1 3.59Å; F277-W441 HydrophobicContact CD1-CD2 4.47Å; F277-W441 AromaticContact CD1-CG 3.65Å; F277-W441 HydrophobicContact CD1-CG 3.65Å; F277-W441 HydrophobicContact CE1-CB 4.12Å; F277-W441 AromaticContact CE1-CD1 3.22Å; F277-W441 AromaticContact CE1-CD2 3.99Å; F277-W441 HydrophobicContact CE1-CD2 3.99Å; F277-W441 AromaticContact CE1-CG 3.51Å; F277-W441 HydrophobicContact CE1-CG 3.51Å; F277-W441 AromaticContact CE1-NE1 3.56Å; F277-W441 HydrophobicContact CG-CB 4.46Å; F277-W441 AromaticContact CZ-CD1 3.6Å; F277-W441 HydrophobicContact CZ-CG 4.32Å; F277-W441 AromaticContact CZ-NE1 3.68Å; F278-W441 PolarHBondContact N-O 3.21Å; F278-W441 VanDerWaalsContact N-O 3.09Å; V281-W441 HydrophobicContact CG1-CB 3.82Å; V281-W441 WeakPolarHBondContact CG1-O 3.36Å; K291-W441 HydrophobicContact CD-CZ3 4.31Å; K291-W441 HydrophobicContact CG-CH2 4.43Å; K291-W441 HydrophobicContact CG-CZ3 4.03Å; K291-W441 WeakPolarHBondContact O-CZ3 3.4Å; A292-W441 HydrophobicContact CB-CD2 4.34Å; A292-W441 HydrophobicContact CB-CE3 3.85Å; A292-W441 HydrophobicContact CB-CZ3 4.41Å; W441-N463 WeakPolarHBondContact CA-OD1 3.46Å
442S98.8Very high98.5Very high0 Ų039 Ų390%020%0.201CC..  trans-161.4144.6177.8171.40000109.6D280 N444 N463D280-S442 WeakPolarHBondContact OD1-CA 3.04Å; D280-S442 PolarHBondContact OD1-OG 2.84Å; D280-S442 PolarHBondContact OD2-OG 2.95Å; S442-N444 VanDerWaalsContact C-N 3.34Å; S442-N444 PolarHBondContact OG-N 3.43Å; S442-N444 VanDerWaalsContact OG-N 3.09Å; S442-N444 PolarHBondContact OG-O 2.86Å; S442-N463 PolarHBondContact N-OD1 2.62Å; S442-N463 PolarHBondContact O-ND2 2.89Å; S442-N463 PolarHBondContact O-OD1 3.33Å; S442-N463 VanDerWaalsContact O-OD1 3.08Å
443R98.5Very high98.5Very high76 Ų7647 Ų4729%0.28723%0.229SC..SBendtrans-77-26.5171.2-61.8-176.2-174.2-94.8-3.4111.3D280 V281 E284 D286 F288 G445D280-R443 HydrophobicContact CB-CB 4.49Å; D280-R443 WeakPolarHBondContact O-CD 3.37Å; D280-R443 WeakPolarHBondContact O-CG 3.39Å; D280-R443 PolarHBondContact O-NE 3.41Å; D280-R443 WeakPolarHBondContact OD2-CA 3.4Å; D280-R443 PolarHBondContact OD2-N 3.39Å; V281-R443 PolarHBondContact O-NH2 2.91Å; E284-R443 PolarHBondContact O-NH2 3.35Å; D286-R443 IonicContact OD1-CZ 3.12Å; D286-R443 IonicContact OD1-NH1 3.59Å; D286-R443 PolarHBondContact OD1-NH1 3.44Å; D286-R443 IonicContact OD1-NH2 2.7Å; D286-R443 PolarHBondContact OD1-NH2 2.99Å; D286-R443 IonicContact OD2-CZ 2.62Å; D286-R443 IonicContact OD2-NH1 2.7Å; D286-R443 PolarHBondContact OD2-NH1 2.9Å; D286-R443 IonicContact OD2-NH2 3.5Å; D286-R443 PolarHBondContact OD2-NH2 2.96Å; F288-R443 HydrophobicContact CD1-CG 3.73Å; F288-R443 VanDerWaalsContact CD1-CZ 3.43Å; F288-R443 HydrophobicContact CE1-CG 3.49Å; F288-R443 VanDerWaalsContact CE1-CG 3.49Å; F288-R443 HydrophobicContact CZ-CG 4.3Å; R443-G445 PolarHBondContact O-N 2.94Å
444N98.5Very high98.5Very high78 Ų7843.6 Ų43.642%0.41722%0.221SC..  trans-80.1105.1179.7-173.3-43.2000111.5D280 S442 N446 L447 A448D280-N444 WeakPolarHBondContact OD2-CB 3.25Å; D280-N444 PolarHBondContact OD2-N 2.85Å; S442-N444 VanDerWaalsContact C-N 3.34Å; S442-N444 PolarHBondContact OG-N 3.43Å; S442-N444 VanDerWaalsContact OG-N 3.09Å; S442-N444 PolarHBondContact OG-O 2.86Å; N444-N446 VanDerWaalsContact C-N 3.26Å; N444-N446 PolarHBondContact O-N 3.28Å; N444-N446 WeakPolarHBondContact OD1-CB 3.44Å; N444-N446 PolarHBondContact OD1-N 2.9Å; N444-L447 HydrophobicContact CB-CB 3.88Å; N444-L447 WeakPolarHBondContact O-CB 3.4Å; N444-L447 PolarHBondContact O-N 3.48Å; N444-L447 VanDerWaalsContact O-N 3.13Å; N444-L447 PolarHBondContact OD1-N 2.99Å; N444-A448 WeakPolarHBondContact O-CB 3.46Å; N444-A448 PolarHBondContact O-N 2.85Å
445G97.9Very high98.6Very high53 Ų5342.8 Ų42.855%0.54622%0.218SC..Hα-helixtrans-58.2-32.3-179.900000114.7R443 Y449R443-G445 PolarHBondContact O-N 2.94Å; G445-Y449 WeakPolarHBondContact O-CB 3.43Å; G445-Y449 PolarHBondContact O-N 3.01Å
446N98.5Very high98.6Very high121 Ų12147.3 Ų47.365%0.64724%0.238SC*.Hα-helixtrans-70.5-41.8177.1-70-34000111.5N444 K450N444-N446 VanDerWaalsContact C-N 3.26Å; N444-N446 PolarHBondContact O-N 3.28Å; N444-N446 WeakPolarHBondContact OD1-CB 3.44Å; N444-N446 PolarHBondContact OD1-N 2.9Å; N446-K450 WeakPolarHBondContact O-CB 3.08Å; N446-K450 VanDerWaalsContact O-CG 3.23Å; N446-K450 WeakPolarHBondContact O-CG 3.48Å; N446-K450 PolarHBondContact O-N 2.92Å
447L98.6Very high98.6Very high34 Ų3447.5 Ų47.518%0.17824%0.24CC..Hα-helixtrans-63.9-49.817517855.6000110.3F278 M422 N444 Y449 K450 M451F278-L447 HydrophobicContact CB-CD2 4.11Å; F278-L447 HydrophobicContact CD1-CD1 4.35Å; F278-L447 HydrophobicContact CD1-CD2 3.62Å; F278-L447 HydrophobicContact CD1-CG 4.29Å; F278-L447 HydrophobicContact CD2-CD2 4.16Å; F278-L447 HydrophobicContact CD2-CG 4.33Å; F278-L447 HydrophobicContact CE1-CD1 3.9Å; F278-L447 HydrophobicContact CE1-CD2 4.04Å; F278-L447 HydrophobicContact CE1-CG 4.28Å; F278-L447 HydrophobicContact CE2-CD1 4.44Å; F278-L447 HydrophobicContact CE2-CG 4.35Å; F278-L447 HydrophobicContact CG-CD2 3.67Å; F278-L447 HydrophobicContact CG-CG 4.3Å; F278-L447 HydrophobicContact CZ-CD1 3.96Å; F278-L447 HydrophobicContact CZ-CG 4.32Å; M422-L447 HydrophobicContact CB-CD1 4.15Å; M422-L447 HydrophobicContact CG-CD1 3.67Å; M422-L447 HydrophobicContact SD-CD1 3.57Å; M422-L447 VanDerWaalsContact SD-CD1 3.57Å; N444-L447 HydrophobicContact CB-CB 3.88Å; N444-L447 WeakPolarHBondContact O-CB 3.4Å; N444-L447 PolarHBondContact O-N 3.48Å; N444-L447 VanDerWaalsContact O-N 3.13Å; N444-L447 PolarHBondContact OD1-N 2.99Å; L447-Y449 VanDerWaalsContact C-N 3.33Å; L447-Y449 PolarHBondContact O-N 2.81Å; L447-K450 PolarHBondContact O-N 3.19Å; L447-M451 HydrophobicContact CD1-CG 4.18Å; L447-M451 WeakPolarHBondContact O-CB 3.22Å; L447-M451 WeakPolarHBondContact O-CG 3.45Å; L447-M451 PolarHBondContact O-N 3Å
448A98.5Very high98.5Very high4 Ų448.4 Ų48.43%0.03325%0.25CC..Hα-helixtrans-58.1-44.217900000112.2V440 N444 G452 T462V440-A448 HydrophobicContact CG1-CB 4.42Å; N444-A448 WeakPolarHBondContact O-CB 3.46Å; N444-A448 PolarHBondContact O-N 2.85Å; A448-G452 PolarHBondContact O-N 2.75Å; A448-T462 HydrophobicContact CB-CG2 3.67Å
449Y98.5Very high98.5Very high157 Ų15749.3 Ų49.362%0.61625%0.253SS*.Hα-helixtrans-65.2-45.8176.1177.3-100000112.7G445 L447 M451 G452 R453G445-Y449 WeakPolarHBondContact O-CB 3.43Å; G445-Y449 PolarHBondContact O-N 3.01Å; L447-Y449 VanDerWaalsContact C-N 3.33Å; L447-Y449 PolarHBondContact O-N 2.81Å; Y449-M451 VanDerWaalsContact C-N 3.33Å; Y449-M451 PolarHBondContact O-N 2.88Å; Y449-G452 PolarHBondContact O-N 2.83Å; Y449-R453 HydrophobicContact CD1-CG 4.33Å; Y449-R453 HydrophobicContact CD2-CG 4.3Å; Y449-R453 HydrophobicContact CE1-CG 3.88Å; Y449-R453 HydrophobicContact CE2-CG 3.85Å; Y449-R453 WeakPolarHBondContact O-CB 3.27Å; Y449-R453 WeakPolarHBondContact O-CG 3.45Å; Y449-R453 PolarHBondContact O-N 3.16Å
450K98.7Very high98.5Very high125 Ų12551.2 Ų51.254%0.54327%0.265SS..Hα-helixtrans-60.3-44.1178-76.7174.6-178.8-177.10111.4M422 N446 L447 R453 G454M422-K450 HydrophobicContact SD-CB 4.06Å; M422-K450 HydrophobicContact SD-CD 4.31Å; N446-K450 WeakPolarHBondContact O-CB 3.08Å; N446-K450 VanDerWaalsContact O-CG 3.23Å; N446-K450 WeakPolarHBondContact O-CG 3.48Å; N446-K450 PolarHBondContact O-N 2.92Å; L447-K450 PolarHBondContact O-N 3.19Å; K450-R453 PolarHBondContact O-N 2.93Å; K450-G454 PolarHBondContact O-N 3.07Å
451M98.7Very high98.5Very high0 Ų051.9 Ų51.90%027%0.267CS..Hα-helixtrans-62.5-49.5174.3-72.7-61.1-61.500111.6I276 F278 M422 A425 L426 V440 L447 Y449 R453 G454 I455I276-M451 HydrophobicContact CD1-CE 3.29Å; I276-M451 HydrophobicContact CG2-CE 4.3Å; F278-M451 HydrophobicContact CE2-CE 4.15Å; F278-M451 HydrophobicContact CE2-CG 3.6Å; F278-M451 HydrophobicContact CE2-SD 4.18Å; F278-M451 HydrophobicContact CZ-CE 3.93Å; F278-M451 HydrophobicContact CZ-CG 3.58Å; F278-M451 HydrophobicContact CZ-SD 3.67Å; M422-M451 HydrophobicContact CG-CG 4.02Å; M422-M451 HydrophobicContact CG-SD 3.32Å; M422-M451 WeakPolarHBondContact CG-SD 3.48Å; M422-M451 HydrophobicContact SD-SD 4.3Å; A425-M451 HydrophobicContact CB-CE 3.87Å; L426-M451 HydrophobicContact CD1-SD 4.2Å; L426-M451 HydrophobicContact CD2-CE 3.78Å; L426-M451 HydrophobicContact CD2-SD 3.76Å; L426-M451 HydrophobicContact CG-CE 3.94Å; L426-M451 HydrophobicContact CG-SD 3.59Å; L426-M451 VanDerWaalsContact CG-SD 3.59Å; V440-M451 HydrophobicContact CG1-CB 3.81Å; V440-M451 HydrophobicContact CG1-CG 4.43Å; V440-M451 HydrophobicContact CG2-CB 3.94Å; L447-M451 HydrophobicContact CD1-CG 4.18Å; L447-M451 WeakPolarHBondContact O-CB 3.22Å; L447-M451 WeakPolarHBondContact O-CG 3.45Å; L447-M451 PolarHBondContact O-N 3Å; Y449-M451 VanDerWaalsContact C-N 3.33Å; Y449-M451 PolarHBondContact O-N 2.88Å; M451-R453 PolarHBondContact O-N 2.77Å; M451-G454 PolarHBondContact O-N 3.02Å; M451-I455 HydrophobicContact CE-CD1 4.28Å; M451-I455 HydrophobicContact CE-CG1 4.41Å; M451-I455 VanDerWaalsContact O-CG1 3.28Å; M451-I455 WeakPolarHBondContact O-CG1 3.48Å; M451-I455 PolarHBondContact O-N 2.88Å
452G98.4Very high98.4Very high21 Ų2154.3 Ų54.322%0.21628%0.282CS..Hα-helixtrans-58.5-33.617900000113.6A448 Y449A448-G452 PolarHBondContact O-N 2.75Å; Y449-G452 PolarHBondContact O-N 2.83Å
453R98.3Very high98.4Very high182 Ų18256.2 Ų56.269%0.68729%0.293SS*.Hα-helixtrans-78.4-31.4174.3-72.2-68.7-61.9151.71.1113.8Y449 K450 M451Y449-R453 HydrophobicContact CD1-CG 4.33Å; Y449-R453 HydrophobicContact CD2-CG 4.3Å; Y449-R453 HydrophobicContact CE1-CG 3.88Å; Y449-R453 HydrophobicContact CE2-CG 3.85Å; Y449-R453 WeakPolarHBondContact O-CB 3.27Å; Y449-R453 WeakPolarHBondContact O-CG 3.45Å; Y449-R453 PolarHBondContact O-N 3.16Å; K450-R453 PolarHBondContact O-N 2.93Å; M451-R453 PolarHBondContact O-N 2.77Å
454G98.6Very high98.4Very high28 Ų2854.7 Ų54.729%0.28929%0.293SS..Hα-helixtrans-83.6-26.1-176.300000114.1N430 K450 M451N430-G454 PolarHBondContact ND2-O 2.83Å; K450-G454 PolarHBondContact O-N 3.07Å; M451-G454 PolarHBondContact O-N 3.02Å
455I98.8Very high98.4Very high8 Ų851.8 Ų51.84%0.04128%0.277CS..SBendtrans-73.2129.7177.9-62161.1000109.9I276 L426 A429 A438 V440 M451 A457 V460I276-I455 HydrophobicContact CD1-CD1 3.68Å; I276-I455 HydrophobicContact CD1-CG1 4.31Å; L426-I455 HydrophobicContact CD2-CG1 3.98Å; A429-I455 HydrophobicContact CB-CG1 4.29Å; A438-I455 HydrophobicContact CB-CD1 4.22Å; A438-I455 HydrophobicContact CB-CG2 3.56Å; V440-I455 HydrophobicContact CG2-CD1 3.47Å; V440-I455 VanDerWaalsContact CG2-CD1 3.47Å; M451-I455 HydrophobicContact CE-CD1 4.28Å; M451-I455 HydrophobicContact CE-CG1 4.41Å; M451-I455 VanDerWaalsContact O-CG1 3.28Å; M451-I455 WeakPolarHBondContact O-CG1 3.48Å; M451-I455 PolarHBondContact O-N 2.88Å; I455-A457 VanDerWaalsContact C-N 3.27Å; I455-A457 HydrophobicContact CG2-CB 4.05Å; I455-A457 PolarHBondContact O-N 3.25Å; I455-V460 HydrophobicContact CB-CG2 4.44Å; I455-V460 HydrophobicContact CD1-CG1 4.42Å
456Q98.6Very high98.3Very high98 Ų9850.3 Ų50.346%0.45826%0.256SS..  trans-86.663.2-179.4-61.6177.4-5.600110.8N430 G435N430-Q456 WeakPolarHBondContact OD1-CB 3.3Å; N430-Q456 PolarHBondContact OD1-N 3.15Å; G435-Q456 WeakPolarHBondContact CA-O 3.44Å
457A98.4Very high98.1Very high7 Ų746.8 Ų46.86%0.05824%0.243CC..  trans-128.5148.2174.500000111.1G435 A438 I455 V460G435-A457 CarbonylContact O-C 3.43Å; G435-A457 VanDerWaalsContact O-CA 3.28Å; G435-A457 WeakPolarHBondContact O-CA 3.27Å; A438-A457 HydrophobicContact CB-CB 3.99Å; I455-A457 VanDerWaalsContact C-N 3.27Å; I455-A457 HydrophobicContact CG2-CB 4.05Å; I455-A457 PolarHBondContact O-N 3.25Å; A457-V460 HydrophobicContact CB-CG2 4.31Å
458G97.2Very high98Very high21 Ų2145.9 Ų45.922%0.21624%0.237CC..SBendtrans-78.5-19.4-17800000114.5G435 L436 G475 Y477G435-G458 PolarHBondContact O-N 2.78Å; L436-G458 PolarHBondContact O-N 2.91Å; G458-G475 CarbonylContact C-O 3.53Å; G458-G475 WeakPolarHBondContact CA-O 3.22Å; G458-Y477 VanDerWaalsContact CA-CE1 3.49Å
459R97.8Very high97.8Very high20 Ų2048.5 Ų48.58%0.07525%0.254CS..EExtended strand (participates in β ladder)trans-130.1127.1162.9-174.5170.7-76.9-1690.6111L436 G437 A438 W461 A467 A472 A473 T486L436-R459 PolarHBondContact O-N 3.33Å; G437-R459 CarbonylContact C-O 3.3Å; G437-R459 VanDerWaalsContact CA-O 3.25Å; G437-R459 WeakPolarHBondContact CA-O 3.42Å; A438-R459 PolarHBondContact N-O 3.04Å; R459-W461 HydrophobicContact CB-CH2 4.33Å; R459-W461 HydrophobicContact CB-CZ3 4.38Å; R459-W461 VanDerWaalsContact CD-CE2 3.47Å; R459-W461 HydrophobicContact CG-CD2 4.11Å; R459-W461 HydrophobicContact CG-CE3 4.2Å; R459-W461 HydrophobicContact CG-CH2 3.97Å; R459-W461 HydrophobicContact CG-CZ2 3.87Å; R459-W461 HydrophobicContact CG-CZ3 4.12Å; R459-A467 PolarHBondContact NH1-O 2.94Å; R459-A467 VanDerWaalsContact NH1-O 3.16Å; R459-A472 PolarHBondContact NH2-O 3.38Å; R459-A473 PolarHBondContact NE-O 2.98Å; R459-A473 VanDerWaalsContact NE-O 3.1Å; R459-A473 PolarHBondContact NH2-O 3.28Å; R459-T486 PolarHBondContact NH2-OG1 3.49Å
460V98.6Very high97.8Very high40 Ų4041.6 Ų41.624%0.24223%0.229CC..EExtended strand (participates in β ladder)trans-117.7117.9172.4-172.40000108.9A438 V440 I455 A457A438-V460 HydrophobicContact CB-CG1 4.27Å; A438-V460 HydrophobicContact CB-CG2 4.28Å; A438-V460 CarbonylContact O-C 3.54Å; A438-V460 WeakPolarHBondContact O-CA 3.32Å; V440-V460 HydrophobicContact CG2-CG1 4.02Å; I455-V460 HydrophobicContact CB-CG2 4.44Å; I455-V460 HydrophobicContact CD1-CG1 4.42Å; A457-V460 HydrophobicContact CB-CG2 4.31Å
461W98.7Very high97.7Very high13 Ų1341.2 Ų41.25%0.04923%0.229CC..EExtended strand (participates in β ladder)trans-87.9130.3170.1-64.4-93.1000109.4T308 A438 G439 V440 R459 C464 Y465 A467 Y468 F474T308-W461 HydrophobicContact CG2-CH2 3.87Å; T308-W461 HydrophobicContact CG2-CZ3 4.2Å; A438-W461 PolarHBondContact O-N 3.08Å; G439-W461 CarbonylContact C-O 3.56Å; G439-W461 VanDerWaalsContact CA-O 3.3Å; G439-W461 WeakPolarHBondContact CA-O 3.46Å; V440-W461 PolarHBondContact N-O 3.36Å; R459-W461 HydrophobicContact CB-CH2 4.33Å; R459-W461 HydrophobicContact CB-CZ3 4.38Å; R459-W461 VanDerWaalsContact CD-CE2 3.47Å; R459-W461 HydrophobicContact CG-CD2 4.11Å; R459-W461 HydrophobicContact CG-CE3 4.2Å; R459-W461 HydrophobicContact CG-CH2 3.97Å; R459-W461 HydrophobicContact CG-CZ2 3.87Å; R459-W461 HydrophobicContact CG-CZ3 4.12Å; W461-C464 WeakPolarHBondContact CB-O 3.32Å; W461-Y465 HydrophobicContact CB-CD2 4.19Å; W461-Y465 HydrophobicContact CE3-CD2 4.41Å; W461-Y465 HydrophobicContact CE3-CE1 4.15Å; W461-Y465 HydrophobicContact CE3-CE2 4.11Å; W461-Y465 AromaticContact CE3-CZ 3.95Å; W461-Y465 HydrophobicContact CZ3-CE1 4.2Å; W461-A467 PolarHBondContact NE1-O 2.99Å; W461-Y468 HydrophobicContact CH2-CE1 4.06Å; W461-Y468 HydrophobicContact CZ2-CD1 4.14Å; W461-Y468 AromaticContact CZ2-CE1 3.74Å; W461-Y468 HydrophobicContact CZ2-CE1 3.74Å; W461-F474 HydrophobicContact CH2-CE2 4.26Å
462T98.6Very high97.7Very high54 Ų5442.8 Ų42.833%0.33124%0.242SC..EExtended strand (participates in β ladder)trans-118.2124.4178.5-580000108.7V440 A448 C464V440-T462 HydrophobicContact CB-CG2 4.47Å; V440-T462 CarbonylContact O-C 3.56Å; V440-T462 WeakPolarHBondContact O-CA 3.31Å; A448-T462 HydrophobicContact CB-CG2 3.67Å; T462-C464 PolarHBondContact O-N 2.94Å; T462-C464 VanDerWaalsContact O-N 3.12Å; T462-C464 PolarHBondContact O-SG 3.47Å
463N98.3Very high97.6Very high41 Ų4143.6 Ų43.622%0.21925%0.247CC..SBendtrans54.827.7-176.6-64.3-22.3000113.6F288 K291 V440 W441 S442F288-N463 HydrophobicContact CE2-CB 3.9Å; F288-N463 HydrophobicContact CZ-CB 4.48Å; F288-N463 WeakPolarHBondContact CZ-OD1 3.36Å; K291-N463 VanDerWaalsContact CE-O 3.24Å; K291-N463 WeakPolarHBondContact CE-O 3.08Å; K291-N463 PolarHBondContact NZ-O 2.99Å; V440-N463 PolarHBondContact O-N 3.35Å; W441-N463 WeakPolarHBondContact CA-OD1 3.46Å; S442-N463 PolarHBondContact N-OD1 2.62Å; S442-N463 PolarHBondContact O-ND2 2.89Å; S442-N463 PolarHBondContact O-OD1 3.33Å; S442-N463 VanDerWaalsContact O-OD1 3.08Å
464C98.2Very high97.6Very high44 Ų4435.1 Ų35.130%0.29722%0.215SC..  trans-163.1174.3175.460.40000108.7W461 T462W461-C464 WeakPolarHBondContact CB-O 3.32Å; T462-C464 PolarHBondContact O-N 2.94Å; T462-C464 VanDerWaalsContact O-N 3.12Å; T462-C464 PolarHBondContact O-SG 3.47Å
465Y98.2Very high97.5Very high16 Ų1633.8 Ų33.86%0.06320%0.201CC..  trans-157.6163.3170.6-143.2-87.4000110.3S273 T308 P310 G439 W461 A467S273-Y465 WeakPolarHBondContact CB-OH 3.48Å; T308-Y465 VanDerWaalsContact O-CE1 3.29Å; T308-Y465 WeakPolarHBondContact O-CE1 3.2Å; T308-Y465 PolarHBondContact O-OH 2.7Å; P310-Y465 HydrophobicContact CB-CD1 4.31Å; P310-Y465 HydrophobicContact CB-CD2 4.46Å; P310-Y465 HydrophobicContact CB-CE1 3.79Å; P310-Y465 HydrophobicContact CB-CE2 3.88Å; P310-Y465 HydrophobicContact CG-CD1 4.06Å; P310-Y465 HydrophobicContact CG-CE1 3.84Å; G439-Y465 VanDerWaalsContact CA-CE2 3.44Å; W461-Y465 HydrophobicContact CB-CD2 4.19Å; W461-Y465 HydrophobicContact CE3-CD2 4.41Å; W461-Y465 HydrophobicContact CE3-CE1 4.15Å; W461-Y465 HydrophobicContact CE3-CE2 4.11Å; W461-Y465 AromaticContact CE3-CZ 3.95Å; W461-Y465 HydrophobicContact CZ3-CE1 4.2Å; Y465-A467 PolarHBondContact O-N 3.16Å
466H95.1Very high97.3Very high23 Ų2333.5 Ų33.511%0.10620%0.2CC..  trans53.924.7175.7-69.5-37.5000116.4L298 F301 P310 Y468L298-H466 PolarHBondContact O-NE2 3.03Å; F301-H466 HydrophobicContact CD1-CB 4.41Å; F301-H466 AromaticContact CD1-CD2 3.6Å; F301-H466 AromaticContact CD1-CG 3.9Å; F301-H466 AromaticContact CD1-NE2 3.92Å; F301-H466 AromaticContact CG-CD2 3.92Å; P310-H466 WeakPolarHBondContact CD-NE2 3.23Å; H466-Y468 HydrophobicContact CB-CE2 3.95Å; H466-Y468 AromaticContact ND1-CZ 3.66Å; H466-Y468 PolarHBondContact ND1-OH 3.41Å; H466-Y468 WeakPolarHBondContact O-CD2 3.32Å; H466-Y468 VanDerWaalsContact O-CE2 3.24Å; H466-Y468 WeakPolarHBondContact O-CE2 3.44Å
467A95Very high97.2Very high46 Ų4634 Ų3438%0.3820%0.199SC..  trans-83.1120.3166.400000110R459 W461 Y465 P469R459-A467 PolarHBondContact NH1-O 2.94Å; R459-A467 VanDerWaalsContact NH1-O 3.16Å; W461-A467 PolarHBondContact NE1-O 2.99Å; Y465-A467 PolarHBondContact O-N 3.16Å; A467-P469 WeakPolarHBondContact O-CD 3.34Å
468Y95.9Very high97.1Very high16 Ų1637.5 Ų37.56%0.06321%0.213CC..  trans-121.147.6177.9-48.3-84.2000114.1L126 W179 V306 T308 W461 H466 F474L126-Y468 WeakPolarHBondContact CD2-O 3.27Å; W179-Y468 AromaticContact CH2-CD1 3.99Å; W179-Y468 HydrophobicContact CH2-CD1 3.99Å; W179-Y468 HydrophobicContact CH2-CG 4.45Å; W179-Y468 HydrophobicContact CZ2-CD1 4.31Å; W179-Y468 HydrophobicContact CZ2-CG 4.33Å; V306-Y468 WeakPolarHBondContact CG1-OH 3.17Å; T308-Y468 PolarHBondContact OG1-OH 3.39Å; W461-Y468 HydrophobicContact CH2-CE1 4.06Å; W461-Y468 HydrophobicContact CZ2-CD1 4.14Å; W461-Y468 AromaticContact CZ2-CE1 3.74Å; W461-Y468 HydrophobicContact CZ2-CE1 3.74Å; H466-Y468 HydrophobicContact CB-CE2 3.95Å; H466-Y468 AromaticContact ND1-CZ 3.66Å; H466-Y468 PolarHBondContact ND1-OH 3.41Å; H466-Y468 WeakPolarHBondContact O-CD2 3.32Å; H466-Y468 VanDerWaalsContact O-CE2 3.24Å; H466-Y468 WeakPolarHBondContact O-CE2 3.44Å; Y468-F474 HydrophobicContact CD1-CD2 4.19Å; Y468-F474 HydrophobicContact CD1-CE2 4.05Å; Y468-F474 HydrophobicContact CE1-CD2 4.42Å; Y468-F474 AromaticContact CE1-CE2 3.82Å; Y468-F474 HydrophobicContact CE1-CE2 3.82Å
469P96.1Very high97.1Very high59 Ų5941 Ų4138%0.38322%0.223SC..  trans-63.6150.3-179.731.5-36.6000110.4A467 A472A467-P469 WeakPolarHBondContact O-CD 3.34Å; P469-A472 HydrophobicContact CG-CB 4.07Å
470A97.4Very high97.1Very high11 Ų1140.1 Ų40.19%0.09122%0.22CC..THydrogen-bonded Turntrans-60.7158.8161.400000109.7D129 Y133 A472 T486D129-A470 VanDerWaalsContact OD2-CB 3.24Å; D129-A470 WeakPolarHBondContact OD2-CB 3.35Å; Y133-A470 HydrophobicContact CD1-CB 3.8Å; Y133-A470 HydrophobicContact CD2-CB 3.92Å; Y133-A470 HydrophobicContact CG-CB 3.46Å; Y133-A470 VanDerWaalsContact CG-CB 3.46Å; A470-A472 VanDerWaalsContact C-N 3.25Å; A470-A472 PolarHBondContact O-N 3.27Å; A470-T486 CarbonylContact C-O 3.47Å; A470-T486 WeakPolarHBondContact CA-O 3.33Å
471H97.6Very high97Very high117 Ų11738.6 Ų38.654%0.54221%0.212SC..THydrogen-bonded Turntrans72.33-174.1-154.558.7000116.4Y133 T486 H487Y133-H471 HydrophobicContact CD2-CB 4.23Å; Y133-H471 HydrophobicContact CE2-CB 3.43Å; Y133-H471 VanDerWaalsContact CE2-CB 3.43Å; Y133-H471 AromaticContact CE2-CG 3.77Å; Y133-H471 AromaticContact CE2-ND1 3.48Å; Y133-H471 WeakPolarHBondContact CE2-ND1 3.36Å; Y133-H471 AromaticContact CZ-ND1 3.52Å; Y133-H471 PolarHBondContact OH-ND1 2.96Å; H471-T486 PolarHBondContact N-O 3.41Å; H471-H487 AromaticContact CE1-NE2 3.96Å; H471-H487 AromaticContact ND1-CD2 3.8Å; H471-H487 PolarHBondContact O-CD2 2.84Å
472A97.7Very high96.9Very high34 Ų3442.1 Ų42.128%0.28123%0.231SC..SBendtrans-108.4129.6165.600000108.3R459 P469 A470 F474 T486R459-A472 PolarHBondContact NH2-O 3.38Å; P469-A472 HydrophobicContact CG-CB 4.07Å; A470-A472 VanDerWaalsContact C-N 3.25Å; A470-A472 PolarHBondContact O-N 3.27Å; A472-F474 PolarHBondContact O-N 3.33Å; A472-T486 PolarHBondContact O-OG1 3.22Å
473A97.1Very high96.7Very high37 Ų3740 Ų4031%0.30622%0.22SC..  trans-68.9135.1-18000000111.3R459 H487 M489R459-A473 PolarHBondContact NE-O 2.98Å; R459-A473 VanDerWaalsContact NE-O 3.1Å; R459-A473 PolarHBondContact NH2-O 3.28Å; A473-H487 HydrophobicContact CB-CB 3.97Å; A473-M489 HydrophobicContact CB-SD 3.71Å
474F98.1Very high96.5Very high4 Ų441.1 Ų41.12%0.01822%0.221CC..BIsolated β-bridgetrans-117.8139.6174.6-173-93.2000108.5W179 E268 T308 L436 W461 Y468 A472 R484 E485 T486W179-F474 HydrophobicContact CE3-CD1 4.46Å; W179-F474 HydrophobicContact CH2-CD1 4.1Å; W179-F474 HydrophobicContact CH2-CD2 4.26Å; W179-F474 HydrophobicContact CH2-CE1 4.31Å; W179-F474 HydrophobicContact CH2-CE2 4.46Å; W179-F474 HydrophobicContact CH2-CG 4.07Å; W179-F474 HydrophobicContact CH2-CZ 4.47Å; W179-F474 HydrophobicContact CZ3-CB 4.46Å; W179-F474 AromaticContact CZ3-CD1 3.52Å; W179-F474 HydrophobicContact CZ3-CD1 3.52Å; W179-F474 HydrophobicContact CZ3-CD2 4.49Å; W179-F474 AromaticContact CZ3-CE1 3.77Å; W179-F474 HydrophobicContact CZ3-CE1 3.77Å; W179-F474 AromaticContact CZ3-CG 3.91Å; W179-F474 HydrophobicContact CZ3-CG 3.91Å; W179-F474 HydrophobicContact CZ3-CZ 4.35Å; E268-F474 WeakPolarHBondContact OE2-CD1 3.37Å; E268-F474 WeakPolarHBondContact OE2-CE1 3.45Å; T308-F474 HydrophobicContact CG2-CE2 3.71Å; T308-F474 HydrophobicContact CG2-CZ 3.62Å; L436-F474 HydrophobicContact CD1-CE1 4.07Å; L436-F474 HydrophobicContact CD1-CZ 4.18Å; L436-F474 HydrophobicContact CD2-CE1 4.47Å; L436-F474 HydrophobicContact CD2-CZ 4.11Å; L436-F474 HydrophobicContact CG-CZ 4.15Å; W461-F474 HydrophobicContact CH2-CE2 4.26Å; Y468-F474 HydrophobicContact CD1-CD2 4.19Å; Y468-F474 HydrophobicContact CD1-CE2 4.05Å; Y468-F474 HydrophobicContact CE1-CD2 4.42Å; Y468-F474 AromaticContact CE1-CE2 3.82Å; Y468-F474 HydrophobicContact CE1-CE2 3.82Å; A472-F474 PolarHBondContact O-N 3.33Å; F474-R484 CarbonylContact O-C 3.54Å; F474-R484 WeakPolarHBondContact O-CA 3.46Å; F474-E485 PolarHBondContact N-O 3.28Å; F474-E485 PolarHBondContact O-N 3.04Å; F474-T486 HydrophobicContact CB-CG2 4.04Å; F474-T486 VanDerWaalsContact CB-OG1 3.25Å; F474-T486 WeakPolarHBondContact CB-OG1 3.37Å; F474-T486 PolarHBondContact N-OG1 3.42Å
475G95.9Very high96.5Very high0 Ų039 Ų390%021%0.207CC..  trans158.3162.4176.600000112.6E268 G458E268-G475 WeakPolarHBondContact OE1-CA 3.43Å; E268-G475 WeakPolarHBondContact OE2-CA 3.2Å; G458-G475 CarbonylContact C-O 3.53Å; G458-G475 WeakPolarHBondContact CA-O 3.22Å
476G95.5Very high96.4Very high2 Ų238.3 Ų38.32%0.02120%0.204CC..  trans-91.5161.5-171.400000115.8R484G476-R484 PolarHBondContact O-NH1 2.67Å
477Y96Very high96.6Very high110 Ų11038.8 Ų38.843%0.43121%0.206SC..EExtended strand (participates in β ladder)trans-107.2171159.8-74.816.4000109.2G435 G458 Q479 S480 R484G435-Y477 PolarHBondContact O-N 2.82Å; G458-Y477 VanDerWaalsContact CA-CE1 3.49Å; Y477-Q479 PolarHBondContact O-N 3.48Å; Y477-S480 WeakPolarHBondContact O-CB 3.33Å; Y477-S480 PolarHBondContact O-N 3.3Å; Y477-R484 VanDerWaalsContact CE1-NH2 3.35Å
478K96.4Very high96.7Very high80 Ų8042.3 Ų42.335%0.34821%0.213SC..EExtended strand (participates in β ladder)trans52.8-128176.9-54.7177.1179174.50111.1N430 T432 Q433 S480N430-K478 PolarHBondContact O-NZ 2.87Å; T432-K478 PolarHBondContact O-NZ 3.28Å; Q433-K478 WeakPolarHBondContact O-CB 3.26Å; K478-S480 VanDerWaalsContact C-N 3.29Å; K478-S480 PolarHBondContact O-N 3.25Å
479Q97.2Very high96.7Very high95 Ų9544.9 Ų44.944%0.44423%0.227SC..THydrogen-bonded Turntrans-86.87.6179.2-58-64.7-300113.6T248 Q433 Y477 G481T248-Q479 HydrophobicContact CG2-CB 4.04Å; T248-Q479 WeakPolarHBondContact CG2-O 3.27Å; T248-Q479 PolarHBondContact OG1-O 3.3Å; Q433-Q479 HydrophobicContact CB-CG 4.31Å; Q433-Q479 PolarHBondContact O-N 3.21Å; Y477-Q479 PolarHBondContact O-N 3.48Å; Q479-G481 VanDerWaalsContact C-N 3.33Å
480S98.2Very high96.8Very high0 Ų042.1 Ų42.10%021%0.209CC..THydrogen-bonded Turntrans-88.85.7179.7-710000114.3L269 G270 Y434 G435 L436 Y477 K478L269-S480 PolarHBondContact N-O 3.04Å; G270-S480 WeakPolarHBondContact O-CB 3.19Å; G270-S480 PolarHBondContact O-OG 2.92Å; Y434-S480 WeakPolarHBondContact CA-OG 3.25Å; G435-S480 PolarHBondContact N-OG 2.93Å; L436-S480 PolarHBondContact N-OG 3.17Å; Y477-S480 WeakPolarHBondContact O-CB 3.33Å; Y477-S480 PolarHBondContact O-N 3.3Å; K478-S480 VanDerWaalsContact C-N 3.29Å; K478-S480 PolarHBondContact O-N 3.25Å
481G96.6Very high96.8Very high8 Ų841.8 Ų41.88%0.08221%0.205CC..EExtended strand (participates in β ladder)trans131.6-178.8169.200000115.8L267 Q479L267-G481 CarbonylContact O-C 3.4Å; L267-G481 WeakPolarHBondContact O-CA 3.24Å; Q479-G481 VanDerWaalsContact C-N 3.33Å
482I94.9Very high96.7Very high87 Ų8742.5 Ų42.545%0.44621%0.209SC..EExtended strand (participates in β ladder)trans-140.4130.5-176.7-58.1176.2000108.5M255 T266 L267M255-I482 HydrophobicContact CE-CD1 4.23Å; M255-I482 HydrophobicContact SD-CD1 4.26Å; T266-I482 CarbonylContact C-O 3.53Å; T266-I482 WeakPolarHBondContact CA-O 3.44Å; L267-I482 PolarHBondContact N-O 3.24Å; L267-I482 PolarHBondContact O-N 3Å
483G95.1Very high96.7Very high10 Ų1043.7 Ų43.710%0.10321%0.209CC..SBendtrans99.6-178.3-176.100000112.8
484R95.4Very high96.8Very high65 Ų6542 Ų4225%0.24519%0.194CC..  trans-140.7135.4-179.4-61.3-66.2177.6-101.70.7112.2F474 G476 Y477 M489 H493F474-R484 CarbonylContact O-C 3.54Å; F474-R484 WeakPolarHBondContact O-CA 3.46Å; G476-R484 PolarHBondContact O-NH1 2.67Å; Y477-R484 VanDerWaalsContact CE1-NH2 3.35Å; R484-M489 HydrophobicContact CB-CG 4.09Å; R484-M489 HydrophobicContact CB-SD 3.75Å; R484-M489 HydrophobicContact CG-SD 3.9Å; R484-H493 PolarHBondContact N-NE2 3.49Å
485E96.7Very high96.8Very high0 Ų042.5 Ų42.50%020%0.197CC..BIsolated β-bridgetrans-105.1176.5173.4-57.1-159.2149.400111.9W179 K180 E268 F474 H487W179-E485 HydrophobicContact CE3-CB 4.17Å; W179-E485 VanDerWaalsContact CE3-OE2 3.3Å; K180-E485 IonicContact NZ-OE1 2.64Å; K180-E485 PolarHBondContact NZ-OE1 3.15Å; K180-E485 IonicContact NZ-OE2 2.87Å; E268-E485 HydrophobicContact CG-CG 3.86Å; F474-E485 PolarHBondContact N-O 3.28Å; F474-E485 PolarHBondContact O-N 3.04Å; E485-H487 PolarHBondContact O-N 3.08Å
486T97.5Very high96.8Very high0 Ų047.1 Ų47.10%022%0.218CC..SBendtrans65.9-2.8171.367.90000117.5H130 W179 R459 A470 H471 A472 F474H130-T486 VanDerWaalsContact NE2-CB 3.3Å; H130-T486 WeakPolarHBondContact NE2-CB 3.08Å; H130-T486 WeakPolarHBondContact NE2-CG2 3.36Å; W179-T486 HydrophobicContact CD2-CG2 3.38Å; W179-T486 HydrophobicContact CE3-CG2 3.72Å; W179-T486 HydrophobicContact CG-CG2 3.94Å; W179-T486 HydrophobicContact CH2-CG2 3.86Å; W179-T486 HydrophobicContact CZ2-CG2 3.54Å; W179-T486 HydrophobicContact CZ3-CG2 3.94Å; R459-T486 PolarHBondContact NH2-OG1 3.49Å; A470-T486 CarbonylContact C-O 3.47Å; A470-T486 WeakPolarHBondContact CA-O 3.33Å; H471-T486 PolarHBondContact N-O 3.41Å; A472-T486 PolarHBondContact O-OG1 3.22Å; F474-T486 HydrophobicContact CB-CG2 4.04Å; F474-T486 VanDerWaalsContact CB-OG1 3.25Å; F474-T486 WeakPolarHBondContact CB-OG1 3.37Å; F474-T486 PolarHBondContact N-OG1 3.42Å
487H98.3Very high96.8Very high33 Ų3351 Ų5115%0.15324%0.242CC..SBendtrans-124.7161.8177.4178.9-105.7000112.6F134 H471 A473 E485 M489 M490F134-H487 WeakPolarHBondContact CZ-O 3.25Å; H471-H487 AromaticContact CE1-NE2 3.96Å; H471-H487 AromaticContact ND1-CD2 3.8Å; H471-H487 PolarHBondContact O-CD2 2.84Å; A473-H487 HydrophobicContact CB-CB 3.97Å; E485-H487 PolarHBondContact O-N 3.08Å; H487-M489 HydrophobicContact CB-CG 4.24Å; H487-M489 HydrophobicContact CB-SD 4.21Å; H487-M489 WeakPolarHBondContact ND1-CG 3.38Å; H487-M489 PolarHBondContact ND1-N 3.29Å; H487-M489 PolarHBondContact ND1-SD 2.89Å; H487-M489 PolarHBondContact O-N 3.04Å; H487-M490 WeakPolarHBondContact O-CB 3.41Å; H487-M490 PolarHBondContact O-N 2.83Å
488K97.5Very high96.9Very high120 Ų12050.5 Ų50.552%0.52224%0.242SC..G310 helixtrans-58.9-26.2-174.666.6174.5-178.2176.10113.3Y133 C137 M490 L491Y133-K488 WeakPolarHBondContact OH-CB 3.34Å; Y133-K488 PolarHBondContact OH-N 3.02Å; C137-K488 HydrophobicContact CB-CB 4.2Å; K488-M490 PolarHBondContact O-N 2.83Å; K488-M490 VanDerWaalsContact O-N 3.11Å; K488-L491 WeakPolarHBondContact O-CB 3.36Å; K488-L491 WeakPolarHBondContact O-CG 3.38Å; K488-L491 PolarHBondContact O-N 3.01Å
489M96Very high96.9Very high71 Ų7150 Ų5035%0.3525%0.248SC..G310 helixtrans-59-20.7175.473.2-157.8-15.800113.1A473 R484 H487 L491 E492A473-M489 HydrophobicContact CB-SD 3.71Å; R484-M489 HydrophobicContact CB-CG 4.09Å; R484-M489 HydrophobicContact CB-SD 3.75Å; R484-M489 HydrophobicContact CG-SD 3.9Å; H487-M489 HydrophobicContact CB-CG 4.24Å; H487-M489 HydrophobicContact CB-SD 4.21Å; H487-M489 WeakPolarHBondContact ND1-CG 3.38Å; H487-M489 PolarHBondContact ND1-N 3.29Å; H487-M489 PolarHBondContact ND1-SD 2.89Å; H487-M489 PolarHBondContact O-N 3.04Å; M489-L491 PolarHBondContact O-N 3.31Å; M489-E492 WeakPolarHBondContact O-CB 3.36Å; M489-E492 PolarHBondContact O-N 2.91Å; M489-E492 VanDerWaalsContact O-N 3.15Å
490M96.9Very high97Very high0 Ų049.9 Ų49.90%025%0.25CC..G310 helixtrans-64.3-19.7174.7-166.257.1-173.400113F134 P183 T266 H487 K488 E492 H493 Y494F134-M490 HydrophobicContact CE1-CB 4.17Å; F134-M490 HydrophobicContact CZ-CB 3.89Å; P183-M490 HydrophobicContact CB-CB 4.19Å; P183-M490 HydrophobicContact CB-CG 3.85Å; P183-M490 HydrophobicContact CG-CB 4.47Å; P183-M490 HydrophobicContact CG-CG 3.77Å; T266-M490 HydrophobicContact CG2-CE 3.99Å; H487-M490 WeakPolarHBondContact O-CB 3.41Å; H487-M490 PolarHBondContact O-N 2.83Å; K488-M490 PolarHBondContact O-N 2.83Å; K488-M490 VanDerWaalsContact O-N 3.11Å; M490-E492 VanDerWaalsContact C-N 3.28Å; M490-E492 PolarHBondContact O-N 3.46Å; M490-H493 HydrophobicContact CE-CB 3.83Å; M490-H493 WeakPolarHBondContact O-CB 3.16Å; M490-H493 PolarHBondContact O-N 3.49Å; M490-H493 VanDerWaalsContact O-N 3.17Å; M490-H493 HydrophobicContact SD-CB 3.57Å; M490-H493 VanDerWaalsContact SD-CB 3.57Å; M490-H493 VanDerWaalsContact SD-CD2 3.58Å; M490-Y494 HydrophobicContact CE-CD2 3.99Å; M490-Y494 HydrophobicContact CE-CE2 3.24Å; M490-Y494 HydrophobicContact CG-CD2 4.17Å; M490-Y494 HydrophobicContact CG-CE2 3.94Å; M490-Y494 WeakPolarHBondContact O-CD2 3.26Å; M490-Y494 HydrophobicContact SD-CE2 4.28Å
491L98.1Very high96.9Very high4 Ų455.3 Ų55.32%0.02128%0.278CS..G310 helixtrans-59-40.7172.5-68.9176.6000111.5F134 C137 I138 Q141 A186 A187 K488 M489 H493 Y494 Q495F134-L491 HydrophobicContact CD1-CD2 4.02Å; F134-L491 HydrophobicContact CD1-CG 4.25Å; F134-L491 HydrophobicContact CE1-CD2 4.43Å; F134-L491 HydrophobicContact CE1-CG 4.31Å; C137-L491 HydrophobicContact CB-CD1 4.07Å; I138-L491 HydrophobicContact CD1-CD1 4.44Å; I138-L491 HydrophobicContact CD1-CD2 4.41Å; Q141-L491 HydrophobicContact CB-CD1 4.36Å; Q141-L491 HydrophobicContact CG-CD1 4.46Å; A186-L491 HydrophobicContact CB-CD2 3.98Å; A187-L491 HydrophobicContact CB-CD2 4.37Å; K488-L491 WeakPolarHBondContact O-CB 3.36Å; K488-L491 WeakPolarHBondContact O-CG 3.38Å; K488-L491 PolarHBondContact O-N 3.01Å; M489-L491 PolarHBondContact O-N 3.31Å; L491-H493 PolarHBondContact O-N 3.4Å; L491-Y494 CarbonylContact O-C 3.5Å; L491-Y494 PolarHBondContact O-N 2.89Å; L491-Q495 WeakPolarHBondContact O-CG 3.33Å; L491-Q495 PolarHBondContact O-N 3.42Å; L491-Q495 VanDerWaalsContact O-N 3.13Å
492E95.9Very high97Very high133 Ų13356.5 Ų56.562%0.62128%0.284SS*.G310 helixtrans-65.3-27.9178.4-64.1174.3-177.800112.2M489 M490 Y494 Q495M489-E492 WeakPolarHBondContact O-CB 3.36Å; M489-E492 PolarHBondContact O-N 2.91Å; M489-E492 VanDerWaalsContact O-N 3.15Å; M490-E492 VanDerWaalsContact C-N 3.28Å; M490-E492 PolarHBondContact O-N 3.46Å; E492-Y494 PolarHBondContact O-N 3.33Å; E492-Q495 PolarHBondContact O-N 3.13Å
493H96.9Very high97.1Very high59 Ų5955.8 Ų55.827%0.27329%0.287SS..G310 helixtrans-71.7-13.2173.5-76.6-73.9000113.4K241 R484 M490 L491K241-H493 WeakPolarHBondContact CD-O 3.26Å; K241-H493 WeakPolarHBondContact CE-O 3.33Å; R484-H493 PolarHBondContact N-NE2 3.49Å; M490-H493 HydrophobicContact CE-CB 3.83Å; M490-H493 WeakPolarHBondContact O-CB 3.16Å; M490-H493 PolarHBondContact O-N 3.49Å; M490-H493 VanDerWaalsContact O-N 3.17Å; M490-H493 HydrophobicContact SD-CB 3.57Å; M490-H493 VanDerWaalsContact SD-CB 3.57Å; M490-H493 VanDerWaalsContact SD-CD2 3.58Å; L491-H493 PolarHBondContact O-N 3.4Å
494Y98.6Very high97.2Very high0 Ų061.7 Ų61.70%031%0.307CS..G310 helixtrans-118.510.3179.6-73.7-67.2000112.9L161 V164 Q166 P183 A184 N189 K241 M490 L491 E492L161-Y494 PolarHBondContact N-O 3.16Å; V164-Y494 HydrophobicContact CB-CE1 4.44Å; V164-Y494 HydrophobicContact CG1-CD1 4.27Å; V164-Y494 HydrophobicContact CG2-CD1 4.31Å; V164-Y494 HydrophobicContact CG2-CE1 3.99Å; Q166-Y494 PolarHBondContact NE2-OH 2.91Å; Q166-Y494 VanDerWaalsContact NE2-OH 3.08Å; P183-Y494 HydrophobicContact CB-CD2 3.86Å; P183-Y494 HydrophobicContact CB-CE2 3.97Å; P183-Y494 HydrophobicContact CG-CD2 4.13Å; P183-Y494 HydrophobicContact CG-CE2 3.7Å; A184-Y494 HydrophobicContact CB-CD1 3.79Å; A184-Y494 HydrophobicContact CB-CD2 4.29Å; A184-Y494 HydrophobicContact CB-CE1 3.7Å; A184-Y494 HydrophobicContact CB-CE2 4.17Å; A184-Y494 HydrophobicContact CB-CG 4.1Å; N189-Y494 PolarHBondContact ND2-O 3.21Å; N189-Y494 PolarHBondContact OD1-O 3.25Å; K241-Y494 HydrophobicContact CD-CD1 3.78Å; K241-Y494 HydrophobicContact CD-CE1 3.75Å; M490-Y494 HydrophobicContact CE-CD2 3.99Å; M490-Y494 HydrophobicContact CE-CE2 3.24Å; M490-Y494 HydrophobicContact CG-CD2 4.17Å; M490-Y494 HydrophobicContact CG-CE2 3.94Å; M490-Y494 WeakPolarHBondContact O-CD2 3.26Å; M490-Y494 HydrophobicContact SD-CE2 4.28Å; L491-Y494 CarbonylContact O-C 3.5Å; L491-Y494 PolarHBondContact O-N 2.89Å; E492-Y494 PolarHBondContact O-N 3.33Å
495Q98.4Very high97.2Very high15 Ų1560.1 Ų60.17%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-134.1164.3177.6-66175.8-51.500110.2H158 E159 A187 L491 E492H158-Q495 HydrophobicContact CB-CB 4.42Å; E159-Q495 CarbonylContact O-C 3.59Å; E159-Q495 WeakPolarHBondContact O-CA 3.49Å; E159-Q495 WeakPolarHBondContact O-CB 3.4Å; A187-Q495 HydrophobicContact CB-CG 3.64Å; L491-Q495 WeakPolarHBondContact O-CG 3.33Å; L491-Q495 PolarHBondContact O-N 3.42Å; L491-Q495 VanDerWaalsContact O-N 3.13Å; E492-Q495 PolarHBondContact O-N 3.13Å
496Q96.7Very high97.1Very high97 Ų9768.2 Ų68.245%0.45335%0.349SS..EExtended strand (participates in β ladder)trans-118.4148.2164.963-170.710.500108.9E159 L161E159-Q496 HydrophobicContact CB-CG 3.97Å; E159-Q496 PolarHBondContact N-O 3.37Å; E159-Q496 PolarHBondContact O-N 2.97Å; E159-Q496 PolarHBondContact OE2-NE2 2.9Å; E159-Q496 VanDerWaalsContact OE2-NE2 3.13Å; L161-Q496 HydrophobicContact CD2-CB 4.19Å
497T96.3Very high96.9Very high83 Ų8375.6 Ų75.651%0.50938%0.381SS..EExtended strand (participates in β ladder)trans-93.9113.3174.8-56.10000109.4H156 F157H156-T497 HydrophobicContact CB-CG2 3.78Å; F157-T497 CarbonylContact O-C 3.56Å; F157-T497 WeakPolarHBondContact O-CA 3.48Å
498K97.1Very high96.7Very high100 Ų10079.6 Ų79.644%0.43541%0.41SS..EExtended strand (participates in β ladder)trans-89.2117.6170.6-178.3164.3-71.6157.10109.8H156 F157 E159H156-K498 WeakPolarHBondContact CA-O 3.43Å; F157-K498 HydrophobicContact CB-CB 4.46Å; F157-K498 PolarHBondContact N-O 3.4Å; F157-K498 PolarHBondContact O-N 2.95Å; E159-K498 WeakPolarHBondContact OE1-CD 3.5Å; E159-K498 WeakPolarHBondContact OE1-CE 3.2Å; E159-K498 IonicContact OE1-NZ 3.35Å; E159-K498 PolarHBondContact OE1-NZ 2.89Å; E159-K498 WeakPolarHBondContact OE2-CE 3.15Å; E159-K498 IonicContact OE2-NZ 2.72Å; E159-K498 PolarHBondContact OE2-NZ 3.3Å
499C97.5Very high96.3Very high71 Ų7181.7 Ų81.748%0.4843%0.426SS..EExtended strand (participates in β ladder)trans-88.7117.2169.3-1790000109.7Y155Y155-C499 CarbonylContact O-C 3.47Å; Y155-C499 VanDerWaalsContact O-CA 3.29Å; Y155-C499 WeakPolarHBondContact O-CA 3.14Å
500L97.5Very high96.1Very high91 Ų9181.4 Ų81.448%0.47644%0.441SS..EExtended strand (participates in β ladder)trans-104.1102.3169-177.167.8000108.2Y155 F157 V502Y155-L500 WeakPolarHBondContact CD2-O 3.2Å; Y155-L500 PolarHBondContact N-O 3.19Å; Y155-L500 PolarHBondContact O-N 3.39Å; F157-L500 HydrophobicContact CD2-CB 4.41Å; F157-L500 HydrophobicContact CE2-CB 3.9Å; F157-L500 HydrophobicContact CE2-CD2 4.1Å; L500-V502 HydrophobicContact CD2-CG2 4.06Å; L500-V502 HydrophobicContact CG-CG2 3.77Å
501L97.6Very high95.8Very high114 Ų11487.7 Ų87.760%0.59747%0.474SS*.EExtended strand (participates in β ladder)trans-87.6117.2176-171.768.3000109.4V148 T152 A154V148-L501 HydrophobicContact CG2-CD1 4.17Å; T152-L501 HydrophobicContact CG2-CD1 3.78Å; T152-L501 HydrophobicContact CG2-CG 4.22Å; A154-L501 HydrophobicContact CB-CD1 3.75Å
502V97.8Very high95Very high34 Ų34100.2 Ų100.221%0.20653%0.528CS..EExtended strand (participates in β ladder)trans-119.2116.4-174.8-173.20000108.8T152 V153 Y155 L500 Y504T152-V502 WeakPolarHBondContact CA-O 3.45Å; V153-V502 PolarHBondContact N-O 2.87Å; V153-V502 PolarHBondContact O-N 3.21Å; Y155-V502 HydrophobicContact CD2-CG2 3.83Å; Y155-V502 HydrophobicContact CE2-CB 4.07Å; Y155-V502 HydrophobicContact CE2-CG2 3.73Å; L500-V502 HydrophobicContact CD2-CG2 4.06Å; L500-V502 HydrophobicContact CG-CG2 3.77Å; V502-Y504 HydrophobicContact CB-CE2 4.15Å; V502-Y504 HydrophobicContact CG1-CD1 4.33Å; V502-Y504 HydrophobicContact CG1-CD2 4.25Å; V502-Y504 HydrophobicContact CG1-CE1 3.91Å; V502-Y504 HydrophobicContact CG1-CE2 3.82Å; V502-Y504 HydrophobicContact CG1-CG 4.49Å
503S97.2Very high95Very high72 Ų7298.6 Ų98.650%0.50352%0.524SS..EExtended strand (participates in β ladder)trans-86.2127.7161.1176.70000108.5E151 S505E151-S503 CarbonylContact O-C 3.35Å; S503-S505 VanDerWaalsContact C-N 3.35Å; S503-S505 WeakPolarHBondContact OG-CB 3.24Å; S503-S505 PolarHBondContact OG-N 2.99Å; S503-S505 VanDerWaalsContact OG-N 3.15Å
504Y96.7Very high94.9Very high134 Ų134100.6 Ų100.653%0.52554%0.537SS..  trans-94.63.6169.1-64.8-78.9000111.9E151 V153 Y155 V502E151-Y504 PolarHBondContact O-N 3.24Å; V153-Y504 HydrophobicContact CB-CE2 4.42Å; V153-Y504 HydrophobicContact CG2-CE2 4.31Å; Y155-Y504 PolarHBondContact OH-OH 3.14Å; V502-Y504 HydrophobicContact CB-CE2 4.15Å; V502-Y504 HydrophobicContact CG1-CD1 4.33Å; V502-Y504 HydrophobicContact CG1-CD2 4.25Å; V502-Y504 HydrophobicContact CG1-CE1 3.91Å; V502-Y504 HydrophobicContact CG1-CE2 3.82Å; V502-Y504 HydrophobicContact CG1-CG 4.49Å
505S95.4Very high94.6Very high31 Ų31106.2 Ų106.222%0.21757%0.567CS.*  trans-77.3125.3172.8-155.60000110.5E151 S503 K507E151-S505 WeakPolarHBondContact OE2-CB 3.4Å; E151-S505 PolarHBondContact OE2-OG 2.95Å; S503-S505 VanDerWaalsContact C-N 3.35Å; S503-S505 WeakPolarHBondContact OG-CB 3.24Å; S503-S505 PolarHBondContact OG-N 2.99Å; S503-S505 VanDerWaalsContact OG-N 3.15Å; S505-K507 PolarHBondContact O-N 3.1Å
506D95.3Very high94.4Very high170 Ų170111.6 Ų111.691%0.90960%0.596SS**  trans-81.90.6171.1-66.9-36.5000112.5
507K93.9Very high94.3Very high156 Ų156112.5 Ų112.568%0.67861%0.605SS**SBendtrans-87143.3-175.2-66.3176.9-174.7162.10111.6S505S505-K507 PolarHBondContact O-N 3.1Å
508P92.5Very high94.1Very high117 Ų117114.5 Ų114.576%0.7661%0.611SS**  trans-67.2150.816930.4-34.7000110.6G510P508-G510 PolarHBondContact O-N 2.81Å
509L89.7Confident93.9Very high164 Ų164115.5 Ų115.586%0.85962%0.624SS**  trans-63.3-22.6171.7-77.6158.7000112.9L511L509-L511 HydrophobicContact CB-CD1 4.14Å; L509-L511 HydrophobicContact CB-CG 4.42Å; L509-L511 HydrophobicContact CD1-CD1 4.37Å; L509-L511 PolarHBondContact O-N 2.73Å
510G92.3Very high93.7Very high64 Ų64118.9 Ų118.966%0.6664%0.635SS**SBendtrans70.914-176.600000114.6P508 F512P508-G510 PolarHBondContact O-N 2.81Å; G510-F512 VanDerWaalsContact C-N 3.29Å
511L90.4Very high93.3Very high133 Ų133121.3 Ų121.370%0.69665%0.648SS**  trans-75.2-18.7174.8-78.9160.6000113L509L509-L511 HydrophobicContact CB-CD1 4.14Å; L509-L511 HydrophobicContact CB-CG 4.42Å; L509-L511 HydrophobicContact CD1-CD1 4.37Å; L509-L511 PolarHBondContact O-N 2.73Å
512F81.3Confident93Very high266 Ų266121.9 Ų121.9100%1.16765%0.653SS**  trans-137.90-177.3-59.4-66.4000111.7G510G510-F512 VanDerWaalsContact C-N 3.29Å

Retrieved 512 of 512 residues in 1111.3 ms (Link to these results)

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