A0A087X6C3_POEFO Loading...

AVL9 homolog (S. cerevisiase)

AlphaFold DB , UniProt , Accession A0A087X6C3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 629 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
1V39Very low34.7Very low157 Ų157133.5 Ų133.595%0.95268%0.676SS**  0-43.20-169.30000110.9E4V1-E4 PolarHBondContact O-N 3.41Å
2E26.7Very low37.2Very low170 Ų170133.5 Ų133.579%0.79467%0.668SS**Hα-helixtrans-67.6-33172-75.4175.5151.200114.9E4 S5E2-E4 VanDerWaalsContact C-N 3.26Å; E2-E4 PolarHBondContact O-N 2.71Å; E2-S5 PolarHBondContact O-OG 3.3Å
3M25.3Very low40.7Very low170 Ų170123.7 Ų123.784%0.83762%0.621SS**Hα-helixtrans-71.6-16.7174-78.6-177.282.900113.9
4E26.7Very low44.2Very low130 Ų130115.8 Ų115.861%0.60758%0.583SS**Hα-helixtrans-90.2-18.6178.7-78-176.9142.600113.1V1 E2V1-E4 PolarHBondContact O-N 3.41Å; E2-E4 VanDerWaalsContact C-N 3.26Å; E2-E4 PolarHBondContact O-N 2.71Å
5S32.4Very low47.4Very low73 Ų73108.1 Ų108.151%0.5155%0.545SS..Hα-helixtrans-79-40.3175.459.30000111.7E2 G7 R8 D9E2-S5 PolarHBondContact O-OG 3.3Å; S5-G7 PolarHBondContact O-N 3.02Å; S5-R8 PolarHBondContact O-N 3.46Å; S5-D9 PolarHBondContact O-N 3.4Å
6Q31.2Very low50.4Low144 Ų144102.7 Ų102.767%0.67352%0.517SS*.Hα-helixtrans-61.5-41.4175.7-76.4179-2100112.2R8 D9 E10Q6-R8 VanDerWaalsContact C-N 3.32Å; Q6-R8 PolarHBondContact O-N 3.04Å; Q6-D9 PolarHBondContact O-N 3.18Å; Q6-E10 PolarHBondContact O-N 2.86Å
7G27.9Very low53Low39 Ų3998.2 Ų98.240%0.40249%0.494SS..Hα-helixtrans-70.5-18.6179.100000115.6S5S5-G7 PolarHBondContact O-N 3.02Å
8R37.2Very low55.5Low186 Ų18692.8 Ų92.870%0.70247%0.467SS*.Hα-helixtrans-84.1-25.9172.7-75-174.8-157.1-1766.4112.7S5 Q6S5-R8 PolarHBondContact O-N 3.46Å; Q6-R8 VanDerWaalsContact C-N 3.32Å; Q6-R8 PolarHBondContact O-N 3.04Å
9D44.6Very low57.7Low81 Ų8187.9 Ų87.943%0.43344%0.442SS..Hα-helixtrans-79.5-31.1-176.7-129.311000112.3S5 Q6 M11 K12 R122S5-D9 PolarHBondContact O-N 3.4Å; Q6-D9 PolarHBondContact O-N 3.18Å; D9-M11 VanDerWaalsContact C-N 3.27Å; D9-M11 PolarHBondContact O-N 3.03Å; D9-K12 PolarHBondContact O-N 3.22Å; D9-K12 VanDerWaalsContact O-O 3.13Å; D9-R122 PolarHBondContact O-NH1 3.27Å; D9-R122 IonicContact OD1-CZ 3.09Å; D9-R122 IonicContact OD1-NH1 3.53Å; D9-R122 PolarHBondContact OD1-NH1 3.44Å; D9-R122 IonicContact OD1-NH2 2.71Å; D9-R122 PolarHBondContact OD1-NH2 2.97Å
10E42.6Very low59.7Low170 Ų17083.5 Ų83.579%0.79442%0.42SS*.THydrogen-bonded Turntrans-64.9-23.6171.7-71.2-172.4157.800114Q6 K12Q6-E10 PolarHBondContact O-N 2.86Å; E10-K12 VanDerWaalsContact C-N 3.32Å
11M48.7Very low61.5Low148 Ų14879.5 Ų79.573%0.72940%0.4SS*.THydrogen-bonded Turntrans-75.3-20.3176.9-83.1-158.3-170.900113.7D9D9-M11 VanDerWaalsContact C-N 3.27Å; D9-M11 PolarHBondContact O-N 3.03Å
12K64.3Low64.1Low134 Ų13472.1 Ų72.158%0.58336%0.355SS*.SBendtrans-101.9118.7-178.5-71.8177.9-178.4-178.30107.9D9 E10 R122D9-K12 PolarHBondContact O-N 3.22Å; D9-K12 VanDerWaalsContact O-O 3.13Å; E10-K12 VanDerWaalsContact C-N 3.32Å; K12-R122 VanDerWaalsContact CB-NH1 3.26Å; K12-R122 PolarHBondContact O-NH1 3.32Å; K12-R122 VanDerWaalsContact O-NH1 3.09Å
13G82.5Confident67.2Low6 Ų667.5 Ų67.56%0.06233%0.333CS..  trans-60.8177.5-179.100000113.3V15 N160G13-V15 PolarHBondContact O-N 3.44Å; G13-N160 WeakPolarHBondContact CA-OD1 3.42Å
14P89.3Confident70.2Confident13 Ų1361 Ų618%0.08430%0.3CS..SBendtrans-63.6-27.1-172.922.9-31.9000114S121 R122 V123 N160 L163P14-S121 CarbonylContact O-C 3.54Å; P14-S121 WeakPolarHBondContact O-CA 3.38Å; P14-S121 PolarHBondContact O-OG 3.07Å; P14-R122 PolarHBondContact O-N 3.1Å; P14-V123 HydrophobicContact CB-CG2 3.33Å; P14-N160 WeakPolarHBondContact CD-OD1 3.41Å; P14-N160 VanDerWaalsContact N-OD1 3.17Å; P14-L163 HydrophobicContact CG-CB 3.39Å; P14-L163 HydrophobicContact CG-CD1 4.01Å; P14-L163 HydrophobicContact CG-CG 4.35Å
15V93.6Very high72.8Confident1 Ų157.8 Ų57.81%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-87122.3179.1176.70000110.2G13 I18 V119 L129 Y156 M159 N160G13-V15 PolarHBondContact O-N 3.44Å; V15-I18 HydrophobicContact CG1-CD1 4.06Å; V15-V119 HydrophobicContact CB-CG1 4.33Å; V15-V119 HydrophobicContact CG1-CG1 3.67Å; V15-V119 HydrophobicContact CG2-CG1 3.79Å; V15-L129 HydrophobicContact CG2-CD2 4.4Å; V15-Y156 HydrophobicContact CG1-CD2 3.87Å; V15-Y156 HydrophobicContact CG1-CE2 4.14Å; V15-Y156 WeakPolarHBondContact O-CE2 3.31Å; V15-M159 HydrophobicContact CG2-CB 3.83Å; V15-M159 HydrophobicContact CG2-CE 4.5Å; V15-M159 HydrophobicContact CG2-SD 4.32Å; V15-N160 WeakPolarHBondContact CB-OD1 3.34Å; V15-N160 PolarHBondContact N-OD1 2.99Å; V15-N160 PolarHBondContact O-ND2 3.48Å; V15-N160 PolarHBondContact O-OD1 3.36Å
16L94.1Very high75.2Confident21 Ų2162.5 Ų62.511%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-81.3-51.9176.3-68.1171.1000112.1P36 V87 L120 R122L16-P36 WeakPolarHBondContact O-CD 3.18Å; L16-V87 HydrophobicContact CD1-CB 4.43Å; L16-V87 HydrophobicContact CD1-CG1 3.88Å; L16-V87 HydrophobicContact CD1-CG2 3.68Å; L16-L120 HydrophobicContact CB-CB 4.42Å; L16-L120 WeakPolarHBondContact CB-O 3.49Å; L16-L120 PolarHBondContact N-O 3.44Å; L16-R122 HydrophobicContact CD1-CG 3.95Å; L16-R122 HydrophobicContact CD2-CG 3.61Å; L16-R122 HydrophobicContact CG-CG 3.63Å
17H95.7Very high77.8Confident27 Ų2762.2 Ų62.213%0.12529%0.293CS..EExtended strand (participates in β ladder)trans-148.5145.6-173.2-55.5-83.2000111V19 Y35 P36 P37 L38 L120H17-V19 HydrophobicContact CB-CG2 4.09Å; H17-Y35 CarbonylContact C-O 3.58Å; H17-Y35 WeakPolarHBondContact CA-O 3.28Å; H17-P36 PolarHBondContact ND1-O 3.46Å; H17-P37 PolarHBondContact CE1-O 2.84Å; H17-L38 HydrophobicContact CB-CD2 3.94Å; H17-L120 HydrophobicContact CB-CB 4.24Å; H17-L120 HydrophobicContact CB-CD1 4.23Å; H17-L120 HydrophobicContact CB-CG 4.41Å; H17-L120 PolarHBondContact N-O 3.02Å; H17-L120 PolarHBondContact O-N 3.41Å
18I97.1Very high80.8Confident0 Ų061.3 Ų61.30%028%0.284CS..EExtended strand (participates in β ladder)trans-98.9130.8157.8-54.3-60.2000107.2V15 S34 Y35 V117 C118 V119 L152 L155 Y156 M159V15-I18 HydrophobicContact CG1-CD1 4.06Å; I18-S34 CarbonylContact O-C 3.51Å; I18-S34 VanDerWaalsContact O-CA 3.26Å; I18-S34 WeakPolarHBondContact O-CA 3.46Å; I18-Y35 PolarHBondContact N-O 3.29Å; I18-Y35 PolarHBondContact O-N 2.74Å; I18-V117 HydrophobicContact CG2-CG1 3.99Å; I18-C118 CarbonylContact C-O 3.56Å; I18-C118 VanDerWaalsContact CA-O 3.32Å; I18-C118 WeakPolarHBondContact CA-O 3.47Å; I18-V119 HydrophobicContact CD1-CB 4.39Å; I18-V119 HydrophobicContact CD1-CG1 4.28Å; I18-V119 HydrophobicContact CD1-CG2 3.76Å; I18-L152 HydrophobicContact CG2-CB 4.24Å; I18-L152 HydrophobicContact CG2-CD2 4.42Å; I18-L155 HydrophobicContact CD1-CD2 4.04Å; I18-L155 HydrophobicContact CD1-CG 4.13Å; I18-L155 HydrophobicContact CG2-CD2 4.43Å; I18-Y156 HydrophobicContact CG1-CD2 4.19Å; I18-Y156 HydrophobicContact CG1-CG 4.45Å; I18-M159 HydrophobicContact CD1-CE 3.49Å; I18-M159 VanDerWaalsContact CD1-CE 3.49Å
19V97.8Very high83.5Confident0 Ų053.4 Ų53.40%026%0.257CS..EExtended strand (participates in β ladder)trans-128.4134.7-176.7-175.20000109.1H17 V21 V31 F33 L38 L56 C118 L120H17-V19 HydrophobicContact CB-CG2 4.09Å; V19-V21 HydrophobicContact CG1-CG2 3.99Å; V19-V31 HydrophobicContact CG1-CB 4.39Å; V19-V31 HydrophobicContact CG1-CG1 3.77Å; V19-V31 HydrophobicContact CG1-CG2 3.79Å; V19-F33 CarbonylContact C-O 3.5Å; V19-F33 WeakPolarHBondContact CA-O 3.43Å; V19-L38 HydrophobicContact CG2-CD1 4.28Å; V19-L38 HydrophobicContact CG2-CD2 3.97Å; V19-L38 HydrophobicContact CG2-CG 4.46Å; V19-L56 HydrophobicContact CG1-CD2 4.36Å; V19-C118 HydrophobicContact CB-CB 4.3Å; V19-C118 PolarHBondContact N-O 3.07Å; V19-C118 PolarHBondContact O-N 3.36Å; V19-L120 HydrophobicContact CG2-CD1 4.04Å; V19-L120 HydrophobicContact CG2-CG 4.22Å
20V97.2Very high85.8Confident0 Ų052.1 Ų52.10%025%0.248CC..EExtended strand (participates in β ladder)trans-104.2125.6167-178.40000108.4E32 F33 K115 S116 Y140 L152V20-E32 PolarHBondContact O-N 3.47Å; V20-F33 HydrophobicContact CB-CB 3.98Å; V20-F33 HydrophobicContact CG2-CB 4.13Å; V20-F33 HydrophobicContact CG2-CD1 4.08Å; V20-F33 PolarHBondContact N-O 2.65Å; V20-F33 PolarHBondContact O-N 2.9Å; V20-K115 HydrophobicContact CG1-CB 4.45Å; V20-K115 HydrophobicContact CG1-CD 4.41Å; V20-S116 VanDerWaalsContact CA-O 3.27Å; V20-S116 WeakPolarHBondContact CA-O 3.5Å; V20-Y140 HydrophobicContact CG1-CE1 4.46Å; V20-L152 HydrophobicContact CG2-CD1 3.4Å
21V96.9Very high88.4Confident0 Ų044.2 Ų44.20%021%0.211CC..EExtended strand (participates in β ladder)trans-112.8129.4173.7-174.70000108.2V19 C29 Q30 V31 P57 A60 L61 K115 S116V19-V21 HydrophobicContact CG1-CG2 3.99Å; V21-C29 HydrophobicContact CG1-CB 4.23Å; V21-Q30 CarbonylContact C-O 3.53Å; V21-Q30 VanDerWaalsContact CA-O 3.31Å; V21-Q30 WeakPolarHBondContact CA-O 3.36Å; V21-Q30 VanDerWaalsContact CG1-O 3.3Å; V21-Q30 WeakPolarHBondContact CG1-O 3.47Å; V21-V31 HydrophobicContact CG2-CG2 4.21Å; V21-P57 HydrophobicContact CG1-CB 3.82Å; V21-A60 HydrophobicContact CB-CB 4.13Å; V21-A60 HydrophobicContact CG2-CB 3.64Å; V21-L61 HydrophobicContact CB-CD1 4.31Å; V21-L61 HydrophobicContact CB-CG 4.34Å; V21-L61 HydrophobicContact CG1-CD1 3.85Å; V21-L61 HydrophobicContact CG1-CG 4.1Å; V21-L61 WeakPolarHBondContact O-CD1 3.43Å; V21-K115 CarbonylContact O-C 3.45Å; V21-K115 WeakPolarHBondContact O-CA 3.35Å; V21-S116 PolarHBondContact N-O 3.3Å; V21-S116 PolarHBondContact O-N 3.06Å
22G94.4Very high90.5Very high1 Ų139.8 Ų39.81%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-120.3163.7175.200000112.3C29 Q30 E32G22-C29 CarbonylContact O-C 3.5Å; G22-C29 WeakPolarHBondContact O-CA 3.29Å; G22-Q30 PolarHBondContact N-O 3.42Å; G22-Q30 PolarHBondContact O-N 3.32Å; G22-E32 WeakPolarHBondContact CA-OE1 3.48Å
23F91.8Very high92Very high73 Ų7333.7 Ų33.732%0.3216%0.162SC..EExtended strand (participates in β ladder)trans-101.3117176-176.3-84.7000111.4L61 Q114F23-L61 HydrophobicContact CB-CD1 4.47Å; F23-Q114 PolarHBondContact N-O 3.4Å
24H87.8Confident92.6Very high33 Ų3333.5 Ų33.515%0.15316%0.16CC..EExtended strand (participates in β ladder)trans-100.4125.6173.4-172.2-76.4000111.3K26 K27 G28H24-K26 VanDerWaalsContact C-N 3.26Å; H24-K26 PolarHBondContact ND1-N 2.99Å; H24-K26 VanDerWaalsContact ND1-N 3.16Å; H24-K26 PolarHBondContact O-N 2.88Å; H24-K27 HydrophobicContact CB-CB 4.16Å; H24-K27 PolarHBondContact ND1-N 3.45Å; H24-K27 PolarHBondContact O-N 3Å; H24-G28 PolarHBondContact N-O 3.3Å; H24-G28 PolarHBondContact O-N 3.38Å
25H81.5Confident92.9Very high63 Ų6335 Ų3529%0.29217%0.165SC..THydrogen-bonded Turntrans-54.4-30.6-173.966.5-75.8000116.2T109 R110H25-T109 PolarHBondContact CE1-OG1 3.04Å; H25-T109 VanDerWaalsContact CE1-OG1 3.26Å; H25-T109 PolarHBondContact ND1-OG1 3.49Å; H25-R110 HydrophobicContact CB-CG 4.41Å
26K84.3Confident92.9Very high173 Ų17336.8 Ų36.875%0.75218%0.176SC*.THydrogen-bonded Turntrans-95.2-25.8174.8-66.7176.8-176.2-178.10115.1H24H24-K26 VanDerWaalsContact C-N 3.26Å; H24-K26 PolarHBondContact ND1-N 2.99Å; H24-K26 VanDerWaalsContact ND1-N 3.16Å; H24-K26 PolarHBondContact O-N 2.88Å
27K85.4Confident92.8Very high138 Ų13837.3 Ų37.360%0.618%0.181SC*.THydrogen-bonded Turntrans-112.4-9.8-166.9-56.4-179.4-178.1176.50113.1H24 Q30H24-K27 HydrophobicContact CB-CB 4.16Å; H24-K27 PolarHBondContact ND1-N 3.45Å; H24-K27 PolarHBondContact O-N 3Å; K27-Q30 HydrophobicContact CB-CG 4.26Å; K27-Q30 VanDerWaalsContact CB-NE2 3.3Å; K27-Q30 VanDerWaalsContact CD-OE1 3.28Å
28G90.2Very high92.5Very high20 Ų2036.5 Ų36.521%0.20618%0.177CC..EExtended strand (participates in β ladder)trans78.7-156.1-174.400000112.5H24H24-G28 PolarHBondContact N-O 3.3Å; H24-G28 PolarHBondContact O-N 3.38Å
29C93.2Very high92Very high19 Ų1939.9 Ų39.913%0.12819%0.194CC..EExtended strand (participates in β ladder)trans-68.3130.6177-57.80000110.5V21 G22 P57 F58V21-C29 HydrophobicContact CG1-CB 4.23Å; G22-C29 CarbonylContact O-C 3.5Å; G22-C29 WeakPolarHBondContact O-CA 3.29Å; C29-P57 HydrophobicContact CB-CB 3.72Å; C29-P57 WeakPolarHBondContact O-CB 3.27Å; C29-F58 HydrophobicContact CB-CD1 4.16Å; C29-F58 HydrophobicContact CB-CE1 4.31Å
30Q94.3Very high91.2Very high55 Ų5545.6 Ų45.626%0.25723%0.231SC..EExtended strand (participates in β ladder)trans-138.4148.2178.5-54.2-158.1-5200110.9V21 G22 K27 E32V21-Q30 CarbonylContact C-O 3.53Å; V21-Q30 VanDerWaalsContact CA-O 3.31Å; V21-Q30 WeakPolarHBondContact CA-O 3.36Å; V21-Q30 VanDerWaalsContact CG1-O 3.3Å; V21-Q30 WeakPolarHBondContact CG1-O 3.47Å; G22-Q30 PolarHBondContact N-O 3.42Å; G22-Q30 PolarHBondContact O-N 3.32Å; K27-Q30 HydrophobicContact CB-CG 4.26Å; K27-Q30 VanDerWaalsContact CB-NE2 3.3Å; K27-Q30 VanDerWaalsContact CD-OE1 3.28Å; Q30-E32 PolarHBondContact O-N 3.04Å
31V95.9Very high90.4Very high3 Ų353.3 Ų53.32%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-68.9126.4164.2175.10000108.1V19 V21 L38 S47 L49 L56 P57V19-V31 HydrophobicContact CG1-CB 4.39Å; V19-V31 HydrophobicContact CG1-CG1 3.77Å; V19-V31 HydrophobicContact CG1-CG2 3.79Å; V21-V31 HydrophobicContact CG2-CG2 4.21Å; V31-L38 HydrophobicContact CG1-CD1 4.35Å; V31-L38 HydrophobicContact CG2-CD1 4.4Å; V31-S47 WeakPolarHBondContact O-CA 3.38Å; V31-S47 WeakPolarHBondContact O-CB 3.42Å; V31-L49 HydrophobicContact CG2-CD1 4.37Å; V31-L49 HydrophobicContact CG2-CD2 3.8Å; V31-L49 HydrophobicContact CG2-CG 4.47Å; V31-L56 HydrophobicContact CG2-CD2 4.3Å; V31-P57 HydrophobicContact CG2-CG 4.25Å
32E94.1Very high89.7Confident55 Ų5557.1 Ų57.126%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-105.7-27.4176.9-64.5179.2166.900111.8V20 G22 Q30 K115V20-E32 PolarHBondContact O-N 3.47Å; G22-E32 WeakPolarHBondContact CA-OE1 3.48Å; Q30-E32 PolarHBondContact O-N 3.04Å; E32-K115 IonicContact OE1-NZ 2.74Å; E32-K115 PolarHBondContact OE1-NZ 2.77Å; E32-K115 IonicContact OE2-NZ 2.68Å; E32-K115 PolarHBondContact OE2-NZ 3.37Å
33F95.1Very high89.2Confident6 Ų659.3 Ų59.33%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-150.6144.9180175.9-100.1000111.1V19 V20 Y35 H44 I149 L152V19-F33 CarbonylContact C-O 3.5Å; V19-F33 WeakPolarHBondContact CA-O 3.43Å; V20-F33 HydrophobicContact CB-CB 3.98Å; V20-F33 HydrophobicContact CG2-CB 4.13Å; V20-F33 HydrophobicContact CG2-CD1 4.08Å; V20-F33 PolarHBondContact N-O 2.65Å; V20-F33 PolarHBondContact O-N 2.9Å; F33-Y35 HydrophobicContact CZ-CG 4.44Å; F33-H44 CarbonylContact C-O 3.49Å; F33-H44 WeakPolarHBondContact CA-O 3.42Å; F33-H44 HydrophobicContact CD2-CB 4.01Å; F33-H44 HydrophobicContact CE2-CB 3.65Å; F33-I149 HydrophobicContact CD2-CB 4.46Å; F33-I149 HydrophobicContact CD2-CD1 4.16Å; F33-I149 HydrophobicContact CD2-CG2 3.92Å; F33-I149 HydrophobicContact CE1-CB 4.42Å; F33-I149 HydrophobicContact CE2-CB 3.97Å; F33-I149 HydrophobicContact CE2-CD1 3.33Å; F33-I149 HydrophobicContact CE2-CG1 4.23Å; F33-I149 HydrophobicContact CE2-CG2 3.94Å; F33-I149 HydrophobicContact CG-CG2 4.23Å; F33-I149 HydrophobicContact CZ-CB 3.91Å; F33-I149 HydrophobicContact CZ-CD1 3.83Å; F33-I149 HydrophobicContact CZ-CG1 4.42Å; F33-I149 HydrophobicContact CZ-CG2 4.23Å; F33-L152 HydrophobicContact CD1-CD1 3.73Å; F33-L152 HydrophobicContact CE1-CB 3.98Å; F33-L152 HydrophobicContact CE1-CD1 3.84Å
34S95.9Very high89Confident3 Ų358.5 Ų58.52%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-144.7137.2169.560.50000113.4I18 P36 P37 L38 H44I18-S34 CarbonylContact O-C 3.51Å; I18-S34 VanDerWaalsContact O-CA 3.26Å; I18-S34 WeakPolarHBondContact O-CA 3.46Å; S34-P36 CarbonylContact C-O 3.59Å; S34-P37 WeakPolarHBondContact OG-CA 3.36Å; S34-L38 PolarHBondContact OG-N 3.37Å; S34-H44 PolarHBondContact N-O 2.81Å; S34-H44 WeakPolarHBondContact O-CA 3.39Å; S34-H44 WeakPolarHBondContact O-CB 3.45Å; S34-H44 PolarHBondContact O-ND1 3.38Å
35Y94.3Very high88.8Confident45 Ų4562.8 Ų62.818%0.17633%0.333CS..EExtended strand (participates in β ladder)trans-140.7122.8178-173.6-97.9000113.2H17 I18 F33 H44 K153 Y156H17-Y35 CarbonylContact C-O 3.58Å; H17-Y35 WeakPolarHBondContact CA-O 3.28Å; I18-Y35 PolarHBondContact N-O 3.29Å; I18-Y35 PolarHBondContact O-N 2.74Å; F33-Y35 HydrophobicContact CZ-CG 4.44Å; Y35-H44 AromaticContact CD2-CE1 3.31Å; Y35-H44 WeakPolarHBondContact CD2-CE1 3.42Å; Y35-H44 AromaticContact CD2-ND1 3.63Å; Y35-H44 AromaticContact CE2-CE1 3.73Å; Y35-K153 HydrophobicContact CD1-CB 4.29Å; Y35-K153 HydrophobicContact CD1-CG 4.02Å; Y35-K153 HydrophobicContact CD2-CD 4.22Å; Y35-K153 HydrophobicContact CD2-CG 3.89Å; Y35-K153 HydrophobicContact CE1-CB 4.06Å; Y35-K153 HydrophobicContact CE1-CG 4.05Å; Y35-K153 HydrophobicContact CE2-CD 4.01Å; Y35-K153 HydrophobicContact CE2-CG 3.97Å; Y35-K153 HydrophobicContact CG-CG 3.93Å; Y35-Y156 AromaticContact CD1-CD1 3.96Å; Y35-Y156 HydrophobicContact CD1-CD1 3.96Å; Y35-Y156 HydrophobicContact CD1-CD2 4.5Å; Y35-Y156 AromaticContact CD1-CG 3.81Å; Y35-Y156 HydrophobicContact CD1-CG 3.81Å; Y35-Y156 AromaticContact CE1-CD1 3.57Å; Y35-Y156 HydrophobicContact CE1-CD1 3.57Å; Y35-Y156 HydrophobicContact CE1-CE1 4.28Å; Y35-Y156 AromaticContact CE1-CG 3.91Å; Y35-Y156 HydrophobicContact CE1-CG 3.91Å
36P94Very high89.1Confident38 Ų3860.8 Ų60.825%0.24733%0.326CS..SBendcis-51.6164-20-2635000112.5L16 H17 S34 Y156L16-P36 WeakPolarHBondContact O-CD 3.18Å; H17-P36 PolarHBondContact ND1-O 3.46Å; S34-P36 CarbonylContact C-O 3.59Å; P36-Y156 VanDerWaalsContact CD-CZ 3.41Å; P36-Y156 HydrophobicContact CG-CE1 4.19Å; P36-Y156 HydrophobicContact CG-CE2 4.12Å
37P91.6Very high89.2Confident32 Ų3255.6 Ų55.621%0.20831%0.312CS..  trans-57.4141.9179.9-19.532.5000111.3H17 S34 M39 E42 H44H17-P37 PolarHBondContact CE1-O 2.84Å; S34-P37 WeakPolarHBondContact OG-CA 3.36Å; P37-M39 VanDerWaalsContact C-N 3.25Å; P37-M39 PolarHBondContact O-N 3.19Å; P37-E42 WeakPolarHBondContact CB-O 3.47Å; P37-H44 VanDerWaalsContact CD-CE1 3.41Å; P37-H44 WeakPolarHBondContact CD-CE1 3.5Å; P37-H44 WeakPolarHBondContact CG-ND1 3.2Å
38L90.4Very high89.4Confident10 Ų1053.6 Ų53.65%0.05231%0.307CS..SBendtrans-66-30.9177.4-63.5169.9000112.2H17 V19 V31 S34 L49 W53 L56 L120H17-L38 HydrophobicContact CB-CD2 3.94Å; V19-L38 HydrophobicContact CG2-CD1 4.28Å; V19-L38 HydrophobicContact CG2-CD2 3.97Å; V19-L38 HydrophobicContact CG2-CG 4.46Å; V31-L38 HydrophobicContact CG1-CD1 4.35Å; V31-L38 HydrophobicContact CG2-CD1 4.4Å; S34-L38 PolarHBondContact OG-N 3.37Å; L38-L49 HydrophobicContact CD1-CD2 3.45Å; L38-L49 VanDerWaalsContact CD1-CD2 3.45Å; L38-W53 HydrophobicContact CD2-CE3 4.13Å; L38-W53 HydrophobicContact CD2-CZ3 3.75Å; L38-L56 HydrophobicContact CD1-CD2 4Å; L38-L120 HydrophobicContact CD2-CD1 3.92Å
39M86.7Confident89.5Confident71 Ų7154.7 Ų54.735%0.3531%0.308SS..SBendtrans-113.6120.7175.5-66.3-64.1-75.800108.7P37 N41 E42 P50P37-M39 VanDerWaalsContact C-N 3.25Å; P37-M39 PolarHBondContact O-N 3.19Å; M39-N41 PolarHBondContact O-N 3.26Å; M39-N41 VanDerWaalsContact O-N 3.08Å; M39-E42 HydrophobicContact CB-CB 3.93Å; M39-E42 HydrophobicContact CB-CG 3.77Å; M39-E42 PolarHBondContact O-N 3.22Å; M39-P50 HydrophobicContact SD-CB 4.45Å; M39-P50 HydrophobicContact SD-CG 3.71Å
40P79.9Confident89.4Confident120 Ų12054.4 Ų54.478%0.77931%0.306SS*.THydrogen-bonded Turntrans-58.9-26.4-173.1-27.634.5000115.5
41N80.4Confident89.2Confident162 Ų16256.4 Ų56.487%0.86632%0.315SS*.THydrogen-bonded Turntrans-90.7-2.1-177.9-63.2-21.3000113.2M39M39-N41 PolarHBondContact O-N 3.26Å; M39-N41 VanDerWaalsContact O-N 3.08Å
42E83.2Confident89Confident80 Ų8059.4 Ų59.437%0.37433%0.329SS..SBendtrans-109.4158.1-174.3-70.6-69.7144.700111.7P37 M39 S46 L48P37-E42 WeakPolarHBondContact CB-O 3.47Å; M39-E42 HydrophobicContact CB-CB 3.93Å; M39-E42 HydrophobicContact CB-CG 3.77Å; M39-E42 PolarHBondContact O-N 3.22Å; E42-S46 WeakPolarHBondContact OE2-CB 3.35Å; E42-S46 PolarHBondContact OE2-OG 2.89Å; E42-L48 HydrophobicContact CG-CD1 4.28Å
43G84.2Confident89.1Confident46 Ų4656.9 Ų56.947%0.47432%0.317SS..  trans-72.2165.5172.900000112.8D45 S46G43-D45 PolarHBondContact O-N 2.65Å; G43-S46 WeakPolarHBondContact O-CB 3.38Å; G43-S46 PolarHBondContact O-N 3.45Å
44H86Confident89Confident57 Ų5759.4 Ų59.426%0.26433%0.328SS..THydrogen-bonded Turntrans-60.8-27.6177.3-64.3-68.3000113.8F33 S34 Y35 P37 S46F33-H44 CarbonylContact C-O 3.49Å; F33-H44 WeakPolarHBondContact CA-O 3.42Å; F33-H44 HydrophobicContact CD2-CB 4.01Å; F33-H44 HydrophobicContact CE2-CB 3.65Å; S34-H44 PolarHBondContact N-O 2.81Å; S34-H44 WeakPolarHBondContact O-CA 3.39Å; S34-H44 WeakPolarHBondContact O-CB 3.45Å; S34-H44 PolarHBondContact O-ND1 3.38Å; Y35-H44 AromaticContact CD2-CE1 3.31Å; Y35-H44 WeakPolarHBondContact CD2-CE1 3.42Å; Y35-H44 AromaticContact CD2-ND1 3.63Å; Y35-H44 AromaticContact CE2-CE1 3.73Å; P37-H44 VanDerWaalsContact CD-CE1 3.41Å; P37-H44 WeakPolarHBondContact CD-CE1 3.5Å; P37-H44 WeakPolarHBondContact CG-ND1 3.2Å; H44-S46 VanDerWaalsContact C-N 3.33Å
45D84.1Confident89Confident122 Ų12260.3 Ų60.365%0.65233%0.332SS*.THydrogen-bonded Turntrans-93.311.5-178.1-50.8-42.2000112.7G43G43-D45 PolarHBondContact O-N 2.65Å
46S87.3Confident89.1Confident21 Ų2158.2 Ų58.215%0.14732%0.323CS..  trans-73.9134.9178-166.80000110.7E42 G43 H44 L48E42-S46 WeakPolarHBondContact OE2-CB 3.35Å; E42-S46 PolarHBondContact OE2-OG 2.89Å; G43-S46 WeakPolarHBondContact O-CB 3.38Å; G43-S46 PolarHBondContact O-N 3.45Å; H44-S46 VanDerWaalsContact C-N 3.33Å; S46-L48 VanDerWaalsContact C-N 3.3Å; S46-L48 PolarHBondContact OG-N 2.64Å
47S86.9Confident89.3Confident64 Ų6456.7 Ų56.745%0.44831%0.313SS..  trans-88.90.217457.60000112.8V31V31-S47 WeakPolarHBondContact O-CA 3.38Å; V31-S47 WeakPolarHBondContact O-CB 3.42Å
48L89.2Confident89.5Confident96 Ų9657.6 Ų57.650%0.50331%0.314SS..  trans-72.8140.2179.5-64.3177.5000110.8E42 S46E42-L48 HydrophobicContact CG-CD1 4.28Å; S46-L48 VanDerWaalsContact C-N 3.3Å; S46-L48 PolarHBondContact OG-N 2.64Å
49L92.4Very high89.8Confident43 Ų4357.2 Ų57.223%0.22531%0.312CS..  trans-128.4147.8-176.7-66.5171.4000109.8V31 L38 L56 P57V31-L49 HydrophobicContact CG2-CD1 4.37Å; V31-L49 HydrophobicContact CG2-CD2 3.8Å; V31-L49 HydrophobicContact CG2-CG 4.47Å; L38-L49 HydrophobicContact CD1-CD2 3.45Å; L38-L49 VanDerWaalsContact CD1-CD2 3.45Å; L49-L56 HydrophobicContact CD2-CD2 4.08Å; L49-P57 HydrophobicContact CD1-CG 3.75Å
50P92.1Very high90.4Very high13 Ų1353.8 Ų53.88%0.08430%0.295CS..  trans-52145159.2-20.430.3000110.3M39 E52 W53 K54 L80M39-P50 HydrophobicContact SD-CB 4.45Å; M39-P50 HydrophobicContact SD-CG 3.71Å; P50-E52 PolarHBondContact O-N 2.84Å; P50-W53 HydrophobicContact CB-CB 4.42Å; P50-W53 HydrophobicContact CG-CD2 4.44Å; P50-W53 HydrophobicContact CG-CE3 4.2Å; P50-W53 CarbonylContact O-C 3.5Å; P50-W53 PolarHBondContact O-N 2.88Å; P50-K54 PolarHBondContact O-N 3.29Å; P50-L80 HydrophobicContact CB-CD2 3.47Å; P50-L80 VanDerWaalsContact CB-CD2 3.47Å; P50-L80 HydrophobicContact CG-CD1 4.15Å; P50-L80 HydrophobicContact CG-CD2 3.81Å
51E90.3Very high91.1Very high97 Ų9748.4 Ų48.445%0.45326%0.26SS..G310 helixtrans-59.1-37.7-178.4-175.9174.1-17700111.3W53 K54 S243E51-W53 PolarHBondContact O-N 3.26Å; E51-K54 WeakPolarHBondContact O-CB 3.19Å; E51-K54 WeakPolarHBondContact O-CD 3.41Å; E51-K54 VanDerWaalsContact O-CG 3.29Å; E51-K54 WeakPolarHBondContact O-CG 3.32Å; E51-K54 PolarHBondContact O-N 3.08Å; E51-S243 WeakPolarHBondContact OE1-CA 3.32Å; E51-S243 WeakPolarHBondContact OE1-CB 3.49Å
52E91.6Very high91.7Very high66 Ų6641 Ų4131%0.30822%0.22SC..G310 helixtrans-56.3-33.9174.3-64.877.2-165.900112.3P50 P78 L80P50-E52 PolarHBondContact O-N 2.84Å; E52-P78 HydrophobicContact CB-CG 4.07Å; E52-P78 WeakPolarHBondContact O-CG 3.39Å; E52-L80 HydrophobicContact CB-CD2 3.82Å; E52-L80 HydrophobicContact CG-CD2 4.37Å
53W94.9Very high92Very high2 Ų239.2 Ų39.21%0.00821%0.214CC..G310 helixtrans-105.313.5-174.1-67.72.2000113.5L38 P50 E51 Y55 L56 L77 P78 L80 V87 L120L38-W53 HydrophobicContact CD2-CE3 4.13Å; L38-W53 HydrophobicContact CD2-CZ3 3.75Å; P50-W53 HydrophobicContact CB-CB 4.42Å; P50-W53 HydrophobicContact CG-CD2 4.44Å; P50-W53 HydrophobicContact CG-CE3 4.2Å; P50-W53 CarbonylContact O-C 3.5Å; P50-W53 PolarHBondContact O-N 2.88Å; E51-W53 PolarHBondContact O-N 3.26Å; W53-Y55 PolarHBondContact O-N 3.03Å; W53-L56 WeakPolarHBondContact O-CB 3.05Å; W53-L56 PolarHBondContact O-N 2.98Å; W53-L77 HydrophobicContact CD2-CD1 3.84Å; W53-L77 HydrophobicContact CE3-CD1 4.32Å; W53-L77 HydrophobicContact CG-CD1 4.04Å; W53-L77 HydrophobicContact CZ2-CD1 4.4Å; W53-P78 PolarHBondContact NE1-O 2.94Å; W53-L80 HydrophobicContact CD2-CD1 4.34Å; W53-L80 HydrophobicContact CD2-CD2 3.74Å; W53-L80 HydrophobicContact CD2-CG 4.24Å; W53-L80 VanDerWaalsContact CE2-CD2 3.45Å; W53-L80 HydrophobicContact CE3-CD1 4.36Å; W53-L80 HydrophobicContact CE3-CD2 4.45Å; W53-L80 HydrophobicContact CG-CD2 3.9Å; W53-L80 HydrophobicContact CH2-CD1 3.64Å; W53-L80 HydrophobicContact CH2-CG 4.11Å; W53-L80 HydrophobicContact CZ2-CD1 3.6Å; W53-L80 HydrophobicContact CZ2-CD2 3.96Å; W53-L80 HydrophobicContact CZ2-CG 3.52Å; W53-L80 HydrophobicContact CZ3-CD1 4.02Å; W53-V87 HydrophobicContact CZ2-CB 4.28Å; W53-V87 HydrophobicContact CZ2-CG1 4.35Å; W53-V87 HydrophobicContact CZ2-CG2 3.94Å; W53-L120 HydrophobicContact CE3-CD1 4.27Å; W53-L120 HydrophobicContact CH2-CD1 4.3Å; W53-L120 HydrophobicContact CZ3-CD1 3.86Å
54K93.9Very high92.2Very high59 Ų5938 Ų3826%0.25720%0.201SC..THydrogen-bonded Turntrans-54.9-22178.670.6-173.1-175.6173.40114.8P50 E51 K242P50-K54 PolarHBondContact O-N 3.29Å; E51-K54 WeakPolarHBondContact O-CB 3.19Å; E51-K54 WeakPolarHBondContact O-CD 3.41Å; E51-K54 VanDerWaalsContact O-CG 3.29Å; E51-K54 WeakPolarHBondContact O-CG 3.32Å; E51-K54 PolarHBondContact O-N 3.08Å; K54-K242 PolarHBondContact NZ-O 3.15Å
55Y95.3Very high92.3Very high23 Ų2335.4 Ų35.49%0.0919%0.189CC..THydrogen-bonded Turntrans-87.3-9177.6-60.1-55000114.4W53 P57 F58 L59 P241 Q393 Q394 H396W53-Y55 PolarHBondContact O-N 3.03Å; Y55-P57 VanDerWaalsContact C-CD 3.46Å; Y55-P57 VanDerWaalsContact C-N 3.35Å; Y55-F58 PolarHBondContact O-N 3.35Å; Y55-L59 PolarHBondContact O-N 3.39Å; Y55-L59 VanDerWaalsContact O-N 3.08Å; Y55-P241 HydrophobicContact CE2-CB 4.22Å; Y55-Q393 HydrophobicContact CD1-CB 3.71Å; Y55-Q393 HydrophobicContact CE1-CB 3.72Å; Y55-Q393 WeakPolarHBondContact CE1-O 3.49Å; Y55-Q394 HydrophobicContact CD1-CG 4.03Å; Y55-Q394 HydrophobicContact CD2-CG 3.59Å; Y55-Q394 HydrophobicContact CE1-CG 4.43Å; Y55-Q394 HydrophobicContact CE2-CG 4.02Å; Y55-Q394 HydrophobicContact CG-CG 3.6Å; Y55-H396 AromaticContact CE2-CE1 3.79Å; Y55-H396 AromaticContact CZ-CE1 3.57Å; Y55-H396 PolarHBondContact OH-CE1 2.84Å
56L97.4Very high92.5Very high0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-48.4-46.5-178.5170.361.3000113.5V19 V31 L38 L49 W53 F58 L59 A60 F75 L77 L120V19-L56 HydrophobicContact CG1-CD2 4.36Å; V31-L56 HydrophobicContact CG2-CD2 4.3Å; L38-L56 HydrophobicContact CD1-CD2 4Å; L49-L56 HydrophobicContact CD2-CD2 4.08Å; W53-L56 WeakPolarHBondContact O-CB 3.05Å; W53-L56 PolarHBondContact O-N 2.98Å; L56-F58 VanDerWaalsContact C-N 3.29Å; L56-F58 PolarHBondContact O-N 3.21Å; L56-L59 PolarHBondContact O-N 3.28Å; L56-A60 WeakPolarHBondContact O-CB 3.2Å; L56-A60 PolarHBondContact O-N 3.27Å; L56-F75 HydrophobicContact CD1-CE2 3.63Å; L56-F75 HydrophobicContact CD1-CZ 3.54Å; L56-L77 HydrophobicContact CB-CD2 4.29Å; L56-L77 HydrophobicContact CD1-CD1 4.14Å; L56-L77 HydrophobicContact CD1-CD2 4.46Å; L56-L120 HydrophobicContact CD1-CD2 4.05Å; L56-L120 HydrophobicContact CD2-CD1 4.23Å
57P97.1Very high92.7Very high6 Ų639.3 Ų39.34%0.03921%0.205CC..Hα-helixtrans-60.2-38.1-179.7-25.235.5000113.6V21 C29 V31 L49 Y55 L61V21-P57 HydrophobicContact CG1-CB 3.82Å; C29-P57 HydrophobicContact CB-CB 3.72Å; C29-P57 WeakPolarHBondContact O-CB 3.27Å; V31-P57 HydrophobicContact CG2-CG 4.25Å; L49-P57 HydrophobicContact CD1-CG 3.75Å; Y55-P57 VanDerWaalsContact C-CD 3.46Å; Y55-P57 VanDerWaalsContact C-N 3.35Å; P57-L61 PolarHBondContact O-N 3.28Å
58F96.3Very high93Very high52 Ų5239.3 Ų39.323%0.22820%0.196CC..Hα-helixtrans-79.1-25.2-178.2-51.2-74.1000112.5C29 Y55 L56 L61 A391 Q393C29-F58 HydrophobicContact CB-CD1 4.16Å; C29-F58 HydrophobicContact CB-CE1 4.31Å; Y55-F58 PolarHBondContact O-N 3.35Å; L56-F58 VanDerWaalsContact C-N 3.29Å; L56-F58 PolarHBondContact O-N 3.21Å; F58-L61 CarbonylContact O-C 3.5Å; F58-A391 HydrophobicContact CB-CB 3.72Å; F58-Q393 VanDerWaalsContact CD1-CD 3.43Å; F58-Q393 HydrophobicContact CD1-CG 4.13Å; F58-Q393 HydrophobicContact CD2-CB 4.3Å; F58-Q393 HydrophobicContact CD2-CG 3.88Å; F58-Q393 HydrophobicContact CE1-CG 4.24Å; F58-Q393 HydrophobicContact CE2-CG 4.01Å; F58-Q393 VanDerWaalsContact CG-CD 3.45Å; F58-Q393 HydrophobicContact CG-CG 3.94Å; F58-Q393 HydrophobicContact CZ-CG 4.18Å
59L97.4Very high93.3Very high1 Ų140 Ų401%0.00520%0.196CC..Hα-helixtrans-76-39.4172.3-70.7172.4000111.9Y55 L56 V73 F75 L77 Y389 A391 Q394Y55-L59 PolarHBondContact O-N 3.39Å; Y55-L59 VanDerWaalsContact O-N 3.08Å; L56-L59 PolarHBondContact O-N 3.28Å; L59-V73 WeakPolarHBondContact O-CG1 3.38Å; L59-F75 HydrophobicContact CB-CB 4.05Å; L59-F75 HydrophobicContact CB-CD1 3.96Å; L59-F75 HydrophobicContact CB-CD2 3.83Å; L59-F75 HydrophobicContact CB-CE1 4.32Å; L59-F75 HydrophobicContact CB-CE2 4.2Å; L59-F75 HydrophobicContact CB-CG 3.69Å; L59-F75 HydrophobicContact CB-CZ 4.42Å; L59-F75 HydrophobicContact CD1-CB 4.29Å; L59-F75 HydrophobicContact CD1-CD2 3.82Å; L59-F75 HydrophobicContact CD1-CE2 4.46Å; L59-F75 HydrophobicContact CD1-CG 4.25Å; L59-F75 HydrophobicContact CD2-CB 4.02Å; L59-F75 HydrophobicContact CG-CB 4.36Å; L59-F75 HydrophobicContact CG-CD2 4.39Å; L59-F75 HydrophobicContact CG-CG 4.39Å; L59-L77 HydrophobicContact CD1-CD2 3.76Å; L59-Y389 HydrophobicContact CD2-CD1 3.8Å; L59-Y389 HydrophobicContact CD2-CE1 4.34Å; L59-Y389 WeakPolarHBondContact CD2-O 3.33Å; L59-A391 HydrophobicContact CD2-CB 4.33Å; L59-Q394 VanDerWaalsContact CD2-OE1 3.23Å
60A97.7Very high93.4Very high0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-76.4-30.9-179.100000113.1V21 L56 F75 S91 S116 C118V21-A60 HydrophobicContact CB-CB 4.13Å; V21-A60 HydrophobicContact CG2-CB 3.64Å; L56-A60 WeakPolarHBondContact O-CB 3.2Å; L56-A60 PolarHBondContact O-N 3.27Å; A60-F75 HydrophobicContact CB-CE1 4.24Å; A60-F75 HydrophobicContact CB-CZ 4.4Å; A60-S91 WeakPolarHBondContact CA-OG 3.37Å; A60-S91 PolarHBondContact O-OG 2.77Å; A60-S116 PolarHBondContact O-OG 3.49Å; A60-C118 HydrophobicContact CB-CB 4.36Å
61L95.7Very high93.6Very high7 Ų743.6 Ų43.64%0.03721%0.211CC..SBendtrans-11988.9171.1-78.5179.5000109.7V21 F23 P57 F58 Y93 Q114V21-L61 HydrophobicContact CB-CD1 4.31Å; V21-L61 HydrophobicContact CB-CG 4.34Å; V21-L61 HydrophobicContact CG1-CD1 3.85Å; V21-L61 HydrophobicContact CG1-CG 4.1Å; V21-L61 WeakPolarHBondContact O-CD1 3.43Å; F23-L61 HydrophobicContact CB-CD1 4.47Å; P57-L61 PolarHBondContact O-N 3.28Å; F58-L61 CarbonylContact O-C 3.5Å; L61-Y93 HydrophobicContact CD2-CG 4.21Å; L61-Q114 HydrophobicContact CD2-CG 4.07Å
62P93.8Very high94Very high5 Ų539 Ų393%0.03219%0.19CC..  trans-69.5158.9-170.724.3-29.9000113.4G64 A65 V73 Y93 V211 Y389P62-G64 PolarHBondContact O-N 3.22Å; P62-A65 HydrophobicContact CG-CB 4.12Å; P62-A65 WeakPolarHBondContact O-CB 3.49Å; P62-A65 PolarHBondContact O-N 3.38Å; P62-V73 HydrophobicContact CG-CB 4.38Å; P62-V73 HydrophobicContact CG-CG1 4.31Å; P62-Y93 HydrophobicContact CG-CD1 4.14Å; P62-Y93 HydrophobicContact CG-CE1 3.49Å; P62-Y93 VanDerWaalsContact CG-CE1 3.49Å; P62-V211 HydrophobicContact CB-CG2 4.49Å; P62-V211 HydrophobicContact CG-CB 4.4Å; P62-V211 HydrophobicContact CG-CG1 3.93Å; P62-V211 HydrophobicContact CG-CG2 4.44Å; P62-Y389 WeakPolarHBondContact CA-OH 3.45Å; P62-Y389 HydrophobicContact CB-CD1 4.23Å; P62-Y389 HydrophobicContact CB-CE1 3.48Å; P62-Y389 VanDerWaalsContact CB-CE1 3.48Å; P62-Y389 HydrophobicContact CB-CE2 3.86Å; P62-Y389 VanDerWaalsContact CB-OH 3.28Å; P62-Y389 WeakPolarHBondContact CB-OH 3.27Å
63D89.3Confident94.3Very high43 Ų4335.9 Ų35.923%0.2318%0.175CC..THydrogen-bonded Turntrans-53.8128.7173.3-68.9-38.1000111A65 Y389 L392 T411 N412D63-A65 VanDerWaalsContact C-N 3.31Å; D63-Y389 PolarHBondContact N-OH 3.1Å; D63-L392 VanDerWaalsContact OD2-CB 3.3Å; D63-L392 WeakPolarHBondContact OD2-CB 3.27Å; D63-L392 PolarHBondContact OD2-N 3.25Å; D63-T411 PolarHBondContact O-OG1 3.01Å; D63-T411 VanDerWaalsContact O-OG1 3.11Å; D63-N412 HydrophobicContact CB-CB 4.29Å; D63-N412 PolarHBondContact OD2-ND2 3.16Å
64G87.8Confident94.4Very high21 Ų2136 Ų3622%0.21618%0.176CC..THydrogen-bonded Turntrans80.74.6-178.700000114.8P62 H66 N67P62-G64 PolarHBondContact O-N 3.22Å; G64-H66 PolarHBondContact O-N 3.31Å; G64-H66 VanDerWaalsContact O-N 3.1Å; G64-N67 VanDerWaalsContact O-CB 3.31Å; G64-N67 WeakPolarHBondContact O-CB 3.43Å; G64-N67 PolarHBondContact O-N 2.94Å; G64-N67 PolarHBondContact O-ND2 3.32Å
65A88.6Confident94.6Very high2 Ų233.2 Ų33.22%0.01716%0.164CC..G310 helixtrans-58.8-24.3178.200000113.7P62 D63 N67 Y68 Y93 Q95 Q114P62-A65 HydrophobicContact CG-CB 4.12Å; P62-A65 WeakPolarHBondContact O-CB 3.49Å; P62-A65 PolarHBondContact O-N 3.38Å; D63-A65 VanDerWaalsContact C-N 3.31Å; A65-N67 PolarHBondContact O-N 2.78Å; A65-Y68 PolarHBondContact O-N 3.4Å; A65-Y93 HydrophobicContact CB-CD1 4.37Å; A65-Y93 HydrophobicContact CB-CD2 3.97Å; A65-Y93 HydrophobicContact CB-CE1 3.95Å; A65-Y93 HydrophobicContact CB-CE2 3.53Å; A65-Y93 HydrophobicContact CB-CG 4.36Å; A65-Y93 VanDerWaalsContact CB-CZ 3.48Å; A65-Q95 PolarHBondContact O-NE2 2.95Å; A65-Q114 VanDerWaalsContact C-NE2 3.28Å
66H88.3Confident94.8Very high115 Ų11532.2 Ų32.253%0.53216%0.16SC..G310 helixtrans-65.6-13.4173.464.5-91.4000114.1G64 Y68 Q95G64-H66 PolarHBondContact O-N 3.31Å; G64-H66 VanDerWaalsContact O-N 3.1Å; H66-Y68 VanDerWaalsContact C-N 3.28Å; H66-Q95 VanDerWaalsContact CA-NE2 3.3Å; H66-Q95 PolarHBondContact O-NE2 3.02Å
67N91.3Very high94.7Very high110 Ų11032.2 Ų32.259%0.58816%0.16SC*.G310 helixtrans-82.9-6.7176.3-62.6-47.8000113G64 A65G64-N67 VanDerWaalsContact O-CB 3.31Å; G64-N67 WeakPolarHBondContact O-CB 3.43Å; G64-N67 PolarHBondContact O-N 2.94Å; G64-N67 PolarHBondContact O-ND2 3.32Å; A65-N67 PolarHBondContact O-N 2.78Å
68Y93.2Very high94.6Very high65 Ų6532 Ų3226%0.25516%0.159SC..SBendtrans-127.1135.8-173.3-59.5-77.9000110.8A65 H66 E70 Q95 S209 P210A65-Y68 PolarHBondContact O-N 3.4Å; H66-Y68 VanDerWaalsContact C-N 3.28Å; Y68-E70 VanDerWaalsContact C-N 3.28Å; Y68-E70 PolarHBondContact O-N 3.37Å; Y68-Q95 PolarHBondContact O-NE2 3.12Å; Y68-S209 WeakPolarHBondContact CE2-OG 3.46Å; Y68-S209 PolarHBondContact OH-OG 3.42Å; Y68-P210 HydrophobicContact CD1-CB 4.2Å; Y68-P210 HydrophobicContact CE1-CB 3.72Å; Y68-P210 HydrophobicContact CE1-CG 4.19Å; Y68-P210 HydrophobicContact CE2-CB 4.17Å
69Q94Very high94.3Very high111 Ų11130.8 Ų30.852%0.51916%0.156SC..SBendtrans-62.9-39.3178.8-177.658.515.700111.6R94 Q95Q69-R94 CarbonylContact O-C 3.57Å; Q69-R94 VanDerWaalsContact O-CA 3.28Å; Q69-R94 WeakPolarHBondContact O-CA 3.35Å; Q69-R94 WeakPolarHBondContact O-CG 3.31Å; Q69-Q95 PolarHBondContact NE2-O 3.46Å; Q69-Q95 PolarHBondContact O-N 3.25Å
70E95.6Very high93.9Very high105 Ų10533.6 Ų33.649%0.49117%0.171SC..EExtended strand (participates in β ladder)trans-155.1154.1171.860.8-169.9-157.300110.1Y68 Y93 R94Y68-E70 VanDerWaalsContact C-N 3.28Å; Y68-E70 PolarHBondContact O-N 3.37Å; E70-Y93 WeakPolarHBondContact CA-O 3.38Å; E70-Y93 WeakPolarHBondContact CB-O 3.39Å; E70-R94 HydrophobicContact CB-CB 4.18Å; E70-R94 HydrophobicContact CB-CG 4.19Å; E70-R94 IonicContact OE2-CZ 3.96Å; E70-R94 IonicContact OE2-NH1 3.18Å; E70-R94 PolarHBondContact OE2-NH1 3.24Å
71D96.9Very high93Very high25 Ų2536.3 Ų36.313%0.13419%0.189CC..EExtended strand (participates in β ladder)trans-162.4177.9169.3-151.20.9000110.9C92 Y93 P210 V211 N212D71-C92 WeakPolarHBondContact O-CA 3.27Å; D71-Y93 HydrophobicContact CB-CD1 4.44Å; D71-Y93 HydrophobicContact CB-CE1 3.63Å; D71-Y93 HydrophobicContact CB-CE2 3.72Å; D71-Y93 WeakPolarHBondContact CB-OH 3.21Å; D71-Y93 PolarHBondContact N-O 2.89Å; D71-Y93 VanDerWaalsContact N-O 3.11Å; D71-Y93 PolarHBondContact O-N 3.22Å; D71-P210 WeakPolarHBondContact OD2-CB 3.46Å; D71-V211 HydrophobicContact CB-CG1 4.35Å; D71-V211 VanDerWaalsContact OD2-CG1 3.28Å; D71-V211 WeakPolarHBondContact OD2-CG1 3.3Å; D71-V211 PolarHBondContact OD2-N 2.9Å; D71-V211 VanDerWaalsContact OD2-N 3.09Å; D71-N212 WeakPolarHBondContact OD1-CB 3.44Å; D71-N212 PolarHBondContact OD2-N 2.47Å
72T97.5Very high91.9Very high1 Ų143 Ų431%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-131.9137.7176.2-550000112.5Y74 V90 S91 C92 Q130 Q134 N212T72-Y74 HydrophobicContact CG2-CE1 4.13Å; T72-V90 HydrophobicContact CG2-CG1 4.04Å; T72-S91 CarbonylContact C-O 3.51Å; T72-S91 VanDerWaalsContact CA-O 3.32Å; T72-S91 WeakPolarHBondContact CA-O 3.31Å; T72-S91 WeakPolarHBondContact CG2-O 3.44Å; T72-C92 PolarHBondContact OG1-SG 2.96Å; T72-Q130 HydrophobicContact CG2-CB 4.27Å; T72-Q130 HydrophobicContact CG2-CG 3.87Å; T72-Q134 PolarHBondContact OG1-NE2 3.1Å; T72-Q134 VanDerWaalsContact OG1-NE2 3.08Å; T72-N212 VanDerWaalsContact O-CA 3.26Å; T72-N212 WeakPolarHBondContact O-CA 3.35Å; T72-N212 WeakPolarHBondContact O-CB 3.44Å; T72-N212 PolarHBondContact O-N 3.46Å
73V97.9Very high91Very high0 Ų050.2 Ų50.20%027%0.269CS..EExtended strand (participates in β ladder)trans-123.8143.1177.961.20000111.1L59 P62 F75 S91 V211 V215 Y389L59-V73 WeakPolarHBondContact O-CG1 3.38Å; P62-V73 HydrophobicContact CG-CB 4.38Å; P62-V73 HydrophobicContact CG-CG1 4.31Å; V73-F75 HydrophobicContact CG1-CD1 4.47Å; V73-S91 PolarHBondContact N-O 3.19Å; V73-S91 PolarHBondContact O-N 3.1Å; V73-V211 HydrophobicContact CB-CG1 4Å; V73-V211 HydrophobicContact CB-CG2 3.96Å; V73-V211 HydrophobicContact CG2-CG2 3.62Å; V73-V215 HydrophobicContact CG2-CG1 4.13Å; V73-Y389 VanDerWaalsContact CG2-CB 3.47Å; V73-Y389 HydrophobicContact CG2-CD1 3.91Å; V73-Y389 HydrophobicContact CG2-CD2 4.37Å; V73-Y389 HydrophobicContact CG2-CG 3.65Å
74Y98.3Very high90.5Very high5 Ų550.7 Ų50.72%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-105.6142.9167.3-50.7-32.5000109.2T72 G89 V90 Y126 Q130 V215 M219 Y389T72-Y74 HydrophobicContact CG2-CE1 4.13Å; Y74-G89 WeakPolarHBondContact CA-O 3.2Å; Y74-V90 HydrophobicContact CD1-CB 4.36Å; Y74-V90 HydrophobicContact CD1-CG1 4Å; Y74-V90 HydrophobicContact CD1-CG2 3.92Å; Y74-V90 HydrophobicContact CE1-CG1 3.9Å; Y74-V90 HydrophobicContact CE1-CG2 4.2Å; Y74-Y126 AromaticContact CD1-CD1 3.97Å; Y74-Y126 HydrophobicContact CD1-CD1 3.97Å; Y74-Y126 HydrophobicContact CD1-CG 4.47Å; Y74-Y126 AromaticContact CD2-CD1 3.98Å; Y74-Y126 HydrophobicContact CD2-CD1 3.98Å; Y74-Y126 HydrophobicContact CD2-CG 4.07Å; Y74-Y126 HydrophobicContact CE2-CG 4.26Å; Y74-Y126 AromaticContact CG-CD1 3.65Å; Y74-Y126 HydrophobicContact CG-CD1 3.65Å; Y74-Y126 HydrophobicContact CG-CE1 4.44Å; Y74-Y126 HydrophobicContact CG-CG 4.18Å; Y74-Q130 HydrophobicContact CE1-CB 4.17Å; Y74-Q130 PolarHBondContact OH-OE1 3.44Å; Y74-V215 HydrophobicContact CD1-CG2 4.49Å; Y74-V215 HydrophobicContact CD2-CB 3.72Å; Y74-V215 HydrophobicContact CD2-CG2 3.51Å; Y74-V215 HydrophobicContact CE2-CG2 3.92Å; Y74-V215 HydrophobicContact CG-CB 4.09Å; Y74-V215 HydrophobicContact CG-CG2 3.84Å; Y74-M219 HydrophobicContact CD2-CG 4.05Å; Y74-Y389 WeakPolarHBondContact O-CB 3.42Å; Y74-Y389 PolarHBondContact O-N 3.11Å
75F98.2Very high90.6Very high0 Ų054.8 Ų54.80%028%0.282CS..EExtended strand (participates in β ladder)trans-153.1163.717660.3-94000110.8L56 L59 A60 V73 L77 G89 C118 L120L56-F75 HydrophobicContact CD1-CE2 3.63Å; L56-F75 HydrophobicContact CD1-CZ 3.54Å; L59-F75 HydrophobicContact CB-CB 4.05Å; L59-F75 HydrophobicContact CB-CD1 3.96Å; L59-F75 HydrophobicContact CB-CD2 3.83Å; L59-F75 HydrophobicContact CB-CE1 4.32Å; L59-F75 HydrophobicContact CB-CE2 4.2Å; L59-F75 HydrophobicContact CB-CG 3.69Å; L59-F75 HydrophobicContact CB-CZ 4.42Å; L59-F75 HydrophobicContact CD1-CB 4.29Å; L59-F75 HydrophobicContact CD1-CD2 3.82Å; L59-F75 HydrophobicContact CD1-CE2 4.46Å; L59-F75 HydrophobicContact CD1-CG 4.25Å; L59-F75 HydrophobicContact CD2-CB 4.02Å; L59-F75 HydrophobicContact CG-CB 4.36Å; L59-F75 HydrophobicContact CG-CD2 4.39Å; L59-F75 HydrophobicContact CG-CG 4.39Å; A60-F75 HydrophobicContact CB-CE1 4.24Å; A60-F75 HydrophobicContact CB-CZ 4.4Å; V73-F75 HydrophobicContact CG1-CD1 4.47Å; F75-L77 HydrophobicContact CD2-CD2 4.08Å; F75-L77 HydrophobicContact CD2-CG 4.08Å; F75-L77 HydrophobicContact CE2-CD1 4.14Å; F75-L77 HydrophobicContact CE2-CD2 3.94Å; F75-L77 HydrophobicContact CE2-CG 3.85Å; F75-G89 PolarHBondContact N-O 3.39Å; F75-G89 WeakPolarHBondContact O-CA 3.33Å; F75-G89 PolarHBondContact O-N 3.18Å; F75-C118 WeakPolarHBondContact CZ-SG 3.34Å; F75-L120 HydrophobicContact CE2-CD2 4.02Å; F75-L120 HydrophobicContact CZ-CD2 4.04Å
76H97.7Very high90.8Very high2 Ų254.8 Ų54.81%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-115.9143176.3-61.4169.6000109.8V87 Y88 Y126 S236 C386 P388H76-V87 CarbonylContact C-O 3.58Å; H76-V87 WeakPolarHBondContact CA-O 3.41Å; H76-Y88 AromaticContact CD2-CD1 3.64Å; H76-Y88 AromaticContact NE2-CD1 3.67Å; H76-Y126 AromaticContact NE2-CZ 3.72Å; H76-Y126 PolarHBondContact NE2-OH 3.41Å; H76-S236 PolarHBondContact CE1-OG 2.76Å; H76-S236 PolarHBondContact ND1-OG 2.88Å; H76-C386 PolarHBondContact ND1-O 2.82Å; H76-P388 WeakPolarHBondContact NE2-CG 3.28Å
77L96.5Very high91.2Very high1 Ų149.4 Ų49.41%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-112144.2172.6-62174.7000109.9W53 L56 L59 F75 V87 L120 S237W53-L77 HydrophobicContact CD2-CD1 3.84Å; W53-L77 HydrophobicContact CE3-CD1 4.32Å; W53-L77 HydrophobicContact CG-CD1 4.04Å; W53-L77 HydrophobicContact CZ2-CD1 4.4Å; L56-L77 HydrophobicContact CB-CD2 4.29Å; L56-L77 HydrophobicContact CD1-CD1 4.14Å; L56-L77 HydrophobicContact CD1-CD2 4.46Å; L59-L77 HydrophobicContact CD1-CD2 3.76Å; F75-L77 HydrophobicContact CD2-CD2 4.08Å; F75-L77 HydrophobicContact CD2-CG 4.08Å; F75-L77 HydrophobicContact CE2-CD1 4.14Å; F75-L77 HydrophobicContact CE2-CD2 3.94Å; F75-L77 HydrophobicContact CE2-CG 3.85Å; L77-V87 HydrophobicContact CB-CB 4.18Å; L77-V87 HydrophobicContact CD1-CG1 4.33Å; L77-V87 PolarHBondContact N-O 2.81Å; L77-V87 PolarHBondContact O-N 3.27Å; L77-V87 VanDerWaalsContact O-N 3.14Å; L77-L120 HydrophobicContact CD1-CD1 3.99Å; L77-L120 HydrophobicContact CD1-CD2 3.76Å; L77-S237 WeakPolarHBondContact O-CB 3.33Å; L77-S237 PolarHBondContact O-OG 2.99Å
78P93.9Very high91.5Very high2 Ų244.4 Ų44.41%0.01323%0.23CC..  trans-62.7154.5173.227.5-34.3000110.9E52 W53 S237 Y239E52-P78 HydrophobicContact CB-CG 4.07Å; E52-P78 WeakPolarHBondContact O-CG 3.39Å; W53-P78 PolarHBondContact NE1-O 2.94Å; P78-S237 WeakPolarHBondContact CA-O 3.13Å; P78-S237 WeakPolarHBondContact CA-OG 3.43Å; P78-S237 WeakPolarHBondContact CB-O 3.44Å; P78-Y239 HydrophobicContact CB-CE1 4.4Å; P78-Y239 HydrophobicContact CG-CE1 4.39Å
79P91Very high91.7Very high26 Ų2641.3 Ų41.317%0.16922%0.218CC..  trans-65.3144.7174.831-38.5000111.2M84 H238P79-M84 HydrophobicContact CB-CB 3.81Å; P79-M84 WeakPolarHBondContact CB-O 3.5Å; P79-H238 VanDerWaalsContact CD-CD2 3.4Å; P79-H238 WeakPolarHBondContact CD-CD2 3.34Å
80L88.1Confident91.9Very high60 Ų6036.1 Ų36.131%0.31419%0.194SC..SBendtrans-80.9-18.3177.5-66.1-176.9000113.7P50 E52 W53P50-L80 HydrophobicContact CB-CD2 3.47Å; P50-L80 VanDerWaalsContact CB-CD2 3.47Å; P50-L80 HydrophobicContact CG-CD1 4.15Å; P50-L80 HydrophobicContact CG-CD2 3.81Å; E52-L80 HydrophobicContact CB-CD2 3.82Å; E52-L80 HydrophobicContact CG-CD2 4.37Å; W53-L80 HydrophobicContact CD2-CD1 4.34Å; W53-L80 HydrophobicContact CD2-CD2 3.74Å; W53-L80 HydrophobicContact CD2-CG 4.24Å; W53-L80 VanDerWaalsContact CE2-CD2 3.45Å; W53-L80 HydrophobicContact CE3-CD1 4.36Å; W53-L80 HydrophobicContact CE3-CD2 4.45Å; W53-L80 HydrophobicContact CG-CD2 3.9Å; W53-L80 HydrophobicContact CH2-CD1 3.64Å; W53-L80 HydrophobicContact CH2-CG 4.11Å; W53-L80 HydrophobicContact CZ2-CD1 3.6Å; W53-L80 HydrophobicContact CZ2-CD2 3.96Å; W53-L80 HydrophobicContact CZ2-CG 3.52Å; W53-L80 HydrophobicContact CZ3-CD1 4.02Å
81S80.4Confident92.1Very high56 Ų5631.1 Ų31.139%0.39217%0.171SC..SBendtrans-146160.8-179.460.70000109.5D83 M84S81-D83 PolarHBondContact O-N 2.83Å; S81-D83 VanDerWaalsContact O-N 3.14Å; S81-M84 PolarHBondContact O-N 2.97Å; S81-M84 WeakPolarHBondContact OG-CG 3.38Å
82V72Confident92.1Very high148 Ų14830.1 Ų30.190%0.89717%0.165SC*.THydrogen-bonded Turntrans-57.6-31.5-178.8-177.10000112.2
83D74.8Confident92.1Very high157 Ų15730.3 Ų30.384%0.8417%0.166SC*.THydrogen-bonded Turntrans-85-8-179.6-53-41.4000113.8S81S81-D83 PolarHBondContact O-N 2.83Å; S81-D83 VanDerWaalsContact O-N 3.14Å
84M78.6Confident92Very high52 Ų5232.1 Ų32.126%0.25617%0.173SC..PPolyproline II helixtrans-89.9146.2179.6-74.1-77.5-73.300110.2P79 S81 V87P79-M84 HydrophobicContact CB-CB 3.81Å; P79-M84 WeakPolarHBondContact CB-O 3.5Å; S81-M84 PolarHBondContact O-N 2.97Å; S81-M84 WeakPolarHBondContact OG-CG 3.38Å; M84-V87 HydrophobicContact CE-CG2 4.5Å
85K89.3Confident91.8Very high107 Ų10732.8 Ų32.847%0.46518%0.176SC..PPolyproline II helixtrans-90.6173.5171.4-64.9175.4173.7-175.80110.2V87 V234K85-V87 PolarHBondContact O-N 3.01Å; K85-V234 HydrophobicContact CB-CB 4.34Å; K85-V234 HydrophobicContact CD-CB 3.93Å; K85-V234 HydrophobicContact CD-CG1 3.89Å; K85-V234 HydrophobicContact CG-CB 4.23Å
86C94.1Very high91.6Very high2 Ų233.7 Ų33.71%0.01418%0.181CC..PPolyproline II helixtrans-46.5136.4168.7174.50000112Y88 L233 V234 S237C86-Y88 HydrophobicContact CB-CE1 4.29Å; C86-Y88 VanDerWaalsContact SG-CE1 3.58Å; C86-L233 WeakPolarHBondContact CB-O 3.33Å; C86-V234 WeakPolarHBondContact CB-O 3.48Å; C86-V234 PolarHBondContact N-O 3.42Å; C86-S237 WeakPolarHBondContact CB-OG 3.43Å; C86-S237 PolarHBondContact SG-OG 3.45Å
87V96.2Very high91.3Very high2 Ų238.1 Ų38.11%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-102.5131.5173.9170.80000109.8L16 W53 H76 L77 M84 K85 L120L16-V87 HydrophobicContact CD1-CB 4.43Å; L16-V87 HydrophobicContact CD1-CG1 3.88Å; L16-V87 HydrophobicContact CD1-CG2 3.68Å; W53-V87 HydrophobicContact CZ2-CB 4.28Å; W53-V87 HydrophobicContact CZ2-CG1 4.35Å; W53-V87 HydrophobicContact CZ2-CG2 3.94Å; H76-V87 CarbonylContact C-O 3.58Å; H76-V87 WeakPolarHBondContact CA-O 3.41Å; L77-V87 HydrophobicContact CB-CB 4.18Å; L77-V87 HydrophobicContact CD1-CG1 4.33Å; L77-V87 PolarHBondContact N-O 2.81Å; L77-V87 PolarHBondContact O-N 3.27Å; L77-V87 VanDerWaalsContact O-N 3.14Å; M84-V87 HydrophobicContact CE-CG2 4.5Å; K85-V87 PolarHBondContact O-N 3.01Å; V87-L120 HydrophobicContact CG1-CB 3.97Å
88Y97.6Very high91.1Very high6 Ų638.2 Ų38.22%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-100.9122.6-174.5-50.1-74.6000110.5H76 C86 S121 R122 P124 Y126 L233 V234H76-Y88 AromaticContact CD2-CD1 3.64Å; H76-Y88 AromaticContact NE2-CD1 3.67Å; C86-Y88 HydrophobicContact CB-CE1 4.29Å; C86-Y88 VanDerWaalsContact SG-CE1 3.58Å; Y88-S121 PolarHBondContact N-O 3.23Å; Y88-S121 PolarHBondContact O-N 2.81Å; Y88-R122 WeakPolarHBondContact CE2-O 3.43Å; Y88-P124 HydrophobicContact CD1-CB 3.87Å; Y88-P124 HydrophobicContact CD2-CB 3.99Å; Y88-P124 HydrophobicContact CD2-CG 4.44Å; Y88-P124 HydrophobicContact CE1-CB 3.95Å; Y88-P124 HydrophobicContact CE1-CG 4.46Å; Y88-P124 HydrophobicContact CE2-CB 4.07Å; Y88-P124 HydrophobicContact CE2-CG 4.1Å; Y88-P124 HydrophobicContact CG-CB 3.87Å; Y88-Y126 WeakPolarHBondContact CD1-OH 3.34Å; Y88-L233 HydrophobicContact CE1-CB 3.87Å; Y88-L233 VanDerWaalsContact OH-C 3.28Å; Y88-L233 PolarHBondContact OH-O 2.88Å; Y88-V234 PolarHBondContact OH-N 2.75Å
89G98Very high91Very high0 Ų046 Ų460%024%0.236CC..EExtended strand (participates in β ladder)trans-103.4133.9179.400000112.2Y74 F75 V119Y74-G89 WeakPolarHBondContact CA-O 3.2Å; F75-G89 PolarHBondContact N-O 3.39Å; F75-G89 WeakPolarHBondContact O-CA 3.33Å; F75-G89 PolarHBondContact O-N 3.18Å; G89-V119 WeakPolarHBondContact CA-O 3.44Å
90V98.4Very high91Very high2 Ų246.3 Ų46.31%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-121.9125.6164.7-178.60000107.5T72 Y74 C118 V119 Y126 L129 Q130 L133T72-V90 HydrophobicContact CG2-CG1 4.04Å; Y74-V90 HydrophobicContact CD1-CB 4.36Å; Y74-V90 HydrophobicContact CD1-CG1 4Å; Y74-V90 HydrophobicContact CD1-CG2 3.92Å; Y74-V90 HydrophobicContact CE1-CG1 3.9Å; Y74-V90 HydrophobicContact CE1-CG2 4.2Å; V90-C118 CarbonylContact O-C 3.52Å; V90-C118 VanDerWaalsContact O-CA 3.26Å; V90-C118 WeakPolarHBondContact O-CA 3.33Å; V90-C118 PolarHBondContact O-SG 3.28Å; V90-C118 VanDerWaalsContact O-SG 3.39Å; V90-V119 PolarHBondContact N-O 3.31Å; V90-V119 PolarHBondContact O-N 3.15Å; V90-Y126 HydrophobicContact CG2-CD1 4.11Å; V90-L129 HydrophobicContact CB-CB 4.22Å; V90-L129 HydrophobicContact CG1-CB 4.41Å; V90-L129 HydrophobicContact CG2-CB 3.99Å; V90-L129 HydrophobicContact CG2-CD1 4.16Å; V90-Q130 HydrophobicContact CG1-CB 4.21Å; V90-L133 HydrophobicContact CB-CD2 4.4Å; V90-L133 HydrophobicContact CG1-CD2 4.02Å; V90-L133 VanDerWaalsContact O-CD2 3.28Å; V90-L133 WeakPolarHBondContact O-CD2 3.42Å
91S98.3Very high91.1Very high0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans-130.9123.9-177.8179.10000110.8A60 T72 V73 S116A60-S91 WeakPolarHBondContact CA-OG 3.37Å; A60-S91 PolarHBondContact O-OG 2.77Å; T72-S91 CarbonylContact C-O 3.51Å; T72-S91 VanDerWaalsContact CA-O 3.32Å; T72-S91 WeakPolarHBondContact CA-O 3.31Å; T72-S91 WeakPolarHBondContact CG2-O 3.44Å; V73-S91 PolarHBondContact N-O 3.19Å; V73-S91 PolarHBondContact O-N 3.1Å; S91-S116 VanDerWaalsContact OG-CB 3.24Å; S91-S116 WeakPolarHBondContact OG-CB 3.44Å; S91-S116 PolarHBondContact OG-OG 3.07Å
92C97.9Very high91.6Very high4 Ų448.4 Ų48.43%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-104.2122.5172-63.10000108.1D71 T72 S116 V117 L133 Q134 T137D71-C92 WeakPolarHBondContact O-CA 3.27Å; T72-C92 PolarHBondContact OG1-SG 2.96Å; C92-S116 CarbonylContact O-C 3.52Å; C92-S116 WeakPolarHBondContact O-CA 3.33Å; C92-S116 WeakPolarHBondContact O-CB 3.45Å; C92-V117 PolarHBondContact N-O 3.27Å; C92-V117 PolarHBondContact O-N 3.16Å; C92-L133 HydrophobicContact CB-CD2 4.24Å; C92-L133 HydrophobicContact CB-CG 4.01Å; C92-Q134 VanDerWaalsContact SG-CG 3.59Å; C92-T137 HydrophobicContact CB-CG2 4.23Å; C92-T137 WeakPolarHBondContact CB-OG1 3.2Å
93Y96.8Very high92.3Very high5 Ų544.6 Ų44.62%0.0222%0.218CC..EExtended strand (participates in β ladder)trans-113151.417866-101.5000111.3L61 P62 A65 E70 D71 K115 V211L61-Y93 HydrophobicContact CD2-CG 4.21Å; P62-Y93 HydrophobicContact CG-CD1 4.14Å; P62-Y93 HydrophobicContact CG-CE1 3.49Å; P62-Y93 VanDerWaalsContact CG-CE1 3.49Å; A65-Y93 HydrophobicContact CB-CD1 4.37Å; A65-Y93 HydrophobicContact CB-CD2 3.97Å; A65-Y93 HydrophobicContact CB-CE1 3.95Å; A65-Y93 HydrophobicContact CB-CE2 3.53Å; A65-Y93 HydrophobicContact CB-CG 4.36Å; A65-Y93 VanDerWaalsContact CB-CZ 3.48Å; E70-Y93 WeakPolarHBondContact CA-O 3.38Å; E70-Y93 WeakPolarHBondContact CB-O 3.39Å; D71-Y93 HydrophobicContact CB-CD1 4.44Å; D71-Y93 HydrophobicContact CB-CE1 3.63Å; D71-Y93 HydrophobicContact CB-CE2 3.72Å; D71-Y93 WeakPolarHBondContact CB-OH 3.21Å; D71-Y93 PolarHBondContact N-O 2.89Å; D71-Y93 VanDerWaalsContact N-O 3.11Å; D71-Y93 PolarHBondContact O-N 3.22Å; Y93-K115 WeakPolarHBondContact CA-O 3.46Å; Y93-V211 HydrophobicContact CE1-CG1 3.96Å
94R95.9Very high92.7Very high38 Ų3844.1 Ų44.114%0.14321%0.205CC..EExtended strand (participates in β ladder)trans-147.1157178.7-176.1170.2161.6109.7-6.4110.6Q69 E70 K115 T137 H138 F141 E142Q69-R94 CarbonylContact O-C 3.57Å; Q69-R94 VanDerWaalsContact O-CA 3.28Å; Q69-R94 WeakPolarHBondContact O-CA 3.35Å; Q69-R94 WeakPolarHBondContact O-CG 3.31Å; E70-R94 HydrophobicContact CB-CB 4.18Å; E70-R94 HydrophobicContact CB-CG 4.19Å; E70-R94 IonicContact OE2-CZ 3.96Å; E70-R94 IonicContact OE2-NH1 3.18Å; E70-R94 PolarHBondContact OE2-NH1 3.24Å; R94-K115 PolarHBondContact N-O 3.21Å; R94-K115 PolarHBondContact O-N 3.44Å; R94-T137 HydrophobicContact CB-CG2 4.46Å; R94-H138 PolarHBondContact NH1-ND1 2.93Å; R94-F141 HydrophobicContact CB-CD1 4.09Å; R94-F141 HydrophobicContact CB-CD2 4.13Å; R94-F141 HydrophobicContact CB-CE1 3.84Å; R94-F141 HydrophobicContact CB-CE2 3.86Å; R94-F141 HydrophobicContact CB-CG 4.22Å; R94-F141 HydrophobicContact CB-CZ 3.71Å; R94-F141 HydrophobicContact CG-CD1 3.91Å; R94-F141 HydrophobicContact CG-CE1 4.05Å; R94-F141 HydrophobicContact CG-CG 4.16Å; R94-F141 HydrophobicContact CG-CZ 4.41Å; R94-F141 VanDerWaalsContact O-CE1 3.3Å; R94-F141 WeakPolarHBondContact O-CE1 3.32Å; R94-F141 WeakPolarHBondContact O-CZ 3.45Å; R94-E142 IonicContact NH2-OE1 3.63Å
95Q94.2Very high92.7Very high18 Ų1846.1 Ų46.18%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-111.7146.2173.8-66.6-170.170.500111.4A65 H66 Y68 Q69 V113 Q114A65-Q95 PolarHBondContact O-NE2 2.95Å; H66-Q95 VanDerWaalsContact CA-NE2 3.3Å; H66-Q95 PolarHBondContact O-NE2 3.02Å; Y68-Q95 PolarHBondContact O-NE2 3.12Å; Q69-Q95 PolarHBondContact NE2-O 3.46Å; Q69-Q95 PolarHBondContact O-N 3.25Å; Q95-V113 WeakPolarHBondContact CA-O 3.49Å; Q95-Q114 HydrophobicContact CG-CB 4.14Å; Q95-Q114 HydrophobicContact CG-CG 3.97Å
96I93.4Very high92Very high19 Ų1946.1 Ų46.110%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-139.7143.6172.6-171.5166.9000110.2A100 L101 T112 V113 F141 K144 F146I96-A100 HydrophobicContact CD1-CB 4.26Å; I96-A100 HydrophobicContact CG1-CB 4.09Å; I96-L101 HydrophobicContact CD1-CD2 4.18Å; I96-L101 HydrophobicContact CG2-CD2 3.99Å; I96-T112 CarbonylContact O-C 3.56Å; I96-T112 WeakPolarHBondContact O-CA 3.37Å; I96-V113 HydrophobicContact CG2-CB 4.06Å; I96-V113 PolarHBondContact N-O 2.67Å; I96-V113 PolarHBondContact O-N 3.35Å; I96-F141 HydrophobicContact CB-CD1 3.93Å; I96-F141 HydrophobicContact CB-CE1 4.24Å; I96-F141 HydrophobicContact CG2-CD1 3.91Å; I96-F141 HydrophobicContact CG2-CE1 3.93Å; I96-K144 HydrophobicContact CD1-CG 4.14Å; I96-F146 HydrophobicContact CG2-CE2 4.12Å; I96-F146 HydrophobicContact CG2-CZ 3.84Å
97E92.8Very high91Very high95 Ų9548.7 Ų48.744%0.44425%0.247SC..EExtended strand (participates in β ladder)trans-67.3133.9173.8-60.1179.5125.400110.3K99 A100 E111E97-K99 HydrophobicContact CB-CG 4.06Å; E97-K99 VanDerWaalsContact CD-NZ 3.31Å; E97-K99 PolarHBondContact O-N 2.73Å; E97-K99 VanDerWaalsContact O-N 3.15Å; E97-K99 WeakPolarHBondContact OE1-CE 3.44Å; E97-K99 IonicContact OE1-NZ 3.09Å; E97-K99 PolarHBondContact OE1-NZ 3.27Å; E97-K99 WeakPolarHBondContact OE2-CE 3.19Å; E97-K99 IonicContact OE2-NZ 2.81Å; E97-K99 PolarHBondContact OE2-NZ 3.47Å; E97-K99 VanDerWaalsContact OE2-NZ 3.13Å; E97-A100 WeakPolarHBondContact O-CB 3.46Å; E97-A100 PolarHBondContact O-N 3.28Å; E97-E111 CarbonylContact C-O 3.58Å; E97-E111 WeakPolarHBondContact CA-O 3.34Å
98A90.7Very high90.3Very high4 Ų449.5 Ų49.53%0.03325%0.252CS..G310 helixtrans-59.8-29.5-178.400000112.9A100 L101 V108 R110 E111 V113A98-A100 PolarHBondContact O-N 3.33Å; A98-L101 WeakPolarHBondContact O-CB 3.42Å; A98-L101 PolarHBondContact O-N 3.29Å; A98-V108 HydrophobicContact CB-CG1 3.79Å; A98-R110 WeakPolarHBondContact CB-O 3.44Å; A98-E111 WeakPolarHBondContact CB-O 3.47Å; A98-E111 PolarHBondContact N-O 3.2Å; A98-V113 HydrophobicContact CB-CG2 4.48Å
99K92.4Very high89.4Confident164 Ų16453 Ų5371%0.71327%0.274SS*.G310 helixtrans-68.8-1917567.7-176.6177-161.80113.5E97 L101E97-K99 HydrophobicContact CB-CG 4.06Å; E97-K99 VanDerWaalsContact CD-NZ 3.31Å; E97-K99 PolarHBondContact O-N 2.73Å; E97-K99 VanDerWaalsContact O-N 3.15Å; E97-K99 WeakPolarHBondContact OE1-CE 3.44Å; E97-K99 IonicContact OE1-NZ 3.09Å; E97-K99 PolarHBondContact OE1-NZ 3.27Å; E97-K99 WeakPolarHBondContact OE2-CE 3.19Å; E97-K99 IonicContact OE2-NZ 2.81Å; E97-K99 PolarHBondContact OE2-NZ 3.47Å; E97-K99 VanDerWaalsContact OE2-NZ 3.13Å; K99-L101 VanDerWaalsContact C-N 3.34Å
100A91.7Very high88.6Confident34 Ų3458.9 Ų58.928%0.28130%0.296SS..G310 helixtrans-85.7-8178.800000112.8I96 E97 A98 K144I96-A100 HydrophobicContact CD1-CB 4.26Å; I96-A100 HydrophobicContact CG1-CB 4.09Å; E97-A100 WeakPolarHBondContact O-CB 3.46Å; E97-A100 PolarHBondContact O-N 3.28Å; A98-A100 PolarHBondContact O-N 3.33Å; A100-K144 WeakPolarHBondContact O-CD 3.41Å; A100-K144 WeakPolarHBondContact O-CG 3.48Å
101L90.6Very high88.2Confident20 Ų2067.1 Ų67.111%0.10534%0.335CS..  trans-75.3135.6179.5-60.5176.7000111.3I96 A98 K99 V108 V113 F146I96-L101 HydrophobicContact CD1-CD2 4.18Å; I96-L101 HydrophobicContact CG2-CD2 3.99Å; A98-L101 WeakPolarHBondContact O-CB 3.42Å; A98-L101 PolarHBondContact O-N 3.29Å; K99-L101 VanDerWaalsContact C-N 3.34Å; L101-V108 HydrophobicContact CD1-CG1 4.37Å; L101-V113 HydrophobicContact CD1-CG2 3.82Å; L101-F146 HydrophobicContact CD1-CE2 4.42Å; L101-F146 HydrophobicContact CD2-CD2 4.07Å; L101-F146 HydrophobicContact CD2-CE2 3.48Å; L101-F146 VanDerWaalsContact CD2-CE2 3.48Å; L101-F146 HydrophobicContact CD2-CZ 4.16Å
102K90.8Very high87.8Confident140 Ų14070.1 Ų70.161%0.60935%0.353SS*.SBendtrans-70.3-40.4170.8-67.8172.9-173.5159.60110.7E143 K144K102-E143 WeakPolarHBondContact CD-O 3.46Å; K102-E143 VanDerWaalsContact CE-O 3.28Å; K102-E143 WeakPolarHBondContact CE-O 3.26Å; K102-E143 PolarHBondContact NZ-O 3.5Å; K102-K144 HydrophobicContact CD-CB 4.21Å; K102-K144 HydrophobicContact CG-CB 3.89Å; K102-K144 PolarHBondContact N-O 3.17Å
103V85.4Confident87.5Confident67 Ų6770.6 Ų70.641%0.40636%0.356SS..SBendtrans-120114.8179.2-179.10000108.8D145V103-D145 HydrophobicContact CG2-CB 4.34Å
104R83.3Confident87.3Confident148 Ų14871.4 Ų71.456%0.55836%0.36SS*.  trans-102.7107.8176.3-170.6176.8178.2174.62.8109.6V108R104-V108 HydrophobicContact CG-CB 3.87Å; R104-V108 HydrophobicContact CG-CG1 4.06Å; R104-V108 PolarHBondContact NE-O 3.49Å; R104-V108 PolarHBondContact NH2-O 3.1Å
105Q78.7Confident87.2Confident93 Ų9370 Ų7044%0.43536%0.355SS..  trans-70.7156.4174.4-66.8179.1-20.400110.8D107 V108Q105-D107 WeakPolarHBondContact CB-OD1 3.24Å; Q105-D107 PolarHBondContact O-N 3.47Å; Q105-V108 HydrophobicContact CB-CG2 4.35Å; Q105-V108 WeakPolarHBondContact O-CB 3.37Å; Q105-V108 PolarHBondContact O-N 2.93Å; Q105-V108 VanDerWaalsContact O-N 3.1Å
106A75.2Confident87.4Confident107 Ų10769.2 Ų69.288%0.88435%0.351SS*.THydrogen-bonded Turntrans-65.1-21.7-172.500000113.9
107D73.3Confident87.6Confident57 Ų5768.3 Ų68.331%0.30535%0.346SS..THydrogen-bonded Turntrans-81.9-12.3177.963.6-30.3000113.6Q105 T109Q105-D107 WeakPolarHBondContact CB-OD1 3.24Å; Q105-D107 PolarHBondContact O-N 3.47Å; D107-T109 VanDerWaalsContact C-N 3.32Å; D107-T109 PolarHBondContact O-N 3.42Å
108V80.3Confident87.8Confident19 Ų1963.8 Ų63.812%0.11533%0.325CS..  trans-77.379.4174.4-176.20000110.4A98 L101 R104 Q105 V113A98-V108 HydrophobicContact CB-CG1 3.79Å; L101-V108 HydrophobicContact CD1-CG1 4.37Å; R104-V108 HydrophobicContact CG-CB 3.87Å; R104-V108 HydrophobicContact CG-CG1 4.06Å; R104-V108 PolarHBondContact NE-O 3.49Å; R104-V108 PolarHBondContact NH2-O 3.1Å; Q105-V108 HydrophobicContact CB-CG2 4.35Å; Q105-V108 WeakPolarHBondContact O-CB 3.37Å; Q105-V108 PolarHBondContact O-N 2.93Å; Q105-V108 VanDerWaalsContact O-N 3.1Å; V108-V113 HydrophobicContact CB-CG2 4.4Å; V108-V113 HydrophobicContact CG1-CG2 3.41Å; V108-V113 VanDerWaalsContact CG1-CG2 3.41Å; V108-V113 HydrophobicContact CG2-CG2 4.11Å
109T79.2Confident88.2Confident78 Ų7863.6 Ų63.648%0.47932%0.323SS..  trans-93.8-17.9-179.259.20000114H25 D107H25-T109 PolarHBondContact CE1-OG1 3.04Å; H25-T109 VanDerWaalsContact CE1-OG1 3.26Å; H25-T109 PolarHBondContact ND1-OG1 3.49Å; D107-T109 VanDerWaalsContact C-N 3.32Å; D107-T109 PolarHBondContact O-N 3.42Å
110R82.1Confident88.4Confident125 Ų12555.8 Ų55.847%0.47229%0.289SS..SBendtrans-89.5165.8-178.8-67.9-174.9172.6-168-0.7112.7H25 A98 T112H25-R110 HydrophobicContact CB-CG 4.41Å; A98-R110 WeakPolarHBondContact CB-O 3.44Å; R110-T112 VanDerWaalsContact C-N 3.33Å
111E88.9Confident88.6Confident175 Ų17554.1 Ų54.182%0.81828%0.276SS*.SBendtrans-71.3-28.5175.2-65.6-175.417300112.9E97 A98E97-E111 CarbonylContact C-O 3.58Å; E97-E111 WeakPolarHBondContact CA-O 3.34Å; A98-E111 WeakPolarHBondContact CB-O 3.47Å; A98-E111 PolarHBondContact N-O 3.2Å
112T90.3Very high88.6Confident62 Ų6256 Ų5638%0.3828%0.281SS..EExtended strand (participates in β ladder)trans-121.6145.3176.259.40000110.7I96 R110I96-T112 CarbonylContact O-C 3.56Å; I96-T112 WeakPolarHBondContact O-CA 3.37Å; R110-T112 VanDerWaalsContact C-N 3.33Å
113V91Very high88.7Confident14 Ų1450.9 Ų50.99%0.08526%0.262CS..EExtended strand (participates in β ladder)trans-107132.4169.61750000108Q95 I96 A98 L101 V108 K115 F146Q95-V113 WeakPolarHBondContact CA-O 3.49Å; I96-V113 HydrophobicContact CG2-CB 4.06Å; I96-V113 PolarHBondContact N-O 2.67Å; I96-V113 PolarHBondContact O-N 3.35Å; A98-V113 HydrophobicContact CB-CG2 4.48Å; L101-V113 HydrophobicContact CD1-CG2 3.82Å; V108-V113 HydrophobicContact CB-CG2 4.4Å; V108-V113 HydrophobicContact CG1-CG2 3.41Å; V108-V113 VanDerWaalsContact CG1-CG2 3.41Å; V108-V113 HydrophobicContact CG2-CG2 4.11Å; V113-K115 HydrophobicContact CG1-CD 4.3Å; V113-K115 HydrophobicContact CG1-CG 4.06Å; V113-F146 HydrophobicContact CG1-CE2 3.84Å
114Q92.7Very high89.1Confident23 Ų2347.8 Ų47.811%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-122.1125179-175.2178.72.300109.1F23 L61 A65 Q95F23-Q114 PolarHBondContact N-O 3.4Å; L61-Q114 HydrophobicContact CD2-CG 4.07Å; A65-Q114 VanDerWaalsContact C-NE2 3.28Å; Q95-Q114 HydrophobicContact CG-CB 4.14Å; Q95-Q114 HydrophobicContact CG-CG 3.97Å
115K95.3Very high89.5Confident9 Ų940.8 Ų40.84%0.03922%0.217CC..EExtended strand (participates in β ladder)trans-140.8158.4177-59.7-178.9-170.5-81.80110.3V20 V21 E32 Y93 R94 V113 F141 F146V20-K115 HydrophobicContact CG1-CB 4.45Å; V20-K115 HydrophobicContact CG1-CD 4.41Å; V21-K115 CarbonylContact O-C 3.45Å; V21-K115 WeakPolarHBondContact O-CA 3.35Å; E32-K115 IonicContact OE1-NZ 2.74Å; E32-K115 PolarHBondContact OE1-NZ 2.77Å; E32-K115 IonicContact OE2-NZ 2.68Å; E32-K115 PolarHBondContact OE2-NZ 3.37Å; Y93-K115 WeakPolarHBondContact CA-O 3.46Å; R94-K115 PolarHBondContact N-O 3.21Å; R94-K115 PolarHBondContact O-N 3.44Å; V113-K115 HydrophobicContact CG1-CD 4.3Å; V113-K115 HydrophobicContact CG1-CG 4.06Å; K115-F141 HydrophobicContact CB-CE2 4.33Å; K115-F141 HydrophobicContact CB-CZ 3.85Å; K115-F141 WeakPolarHBondContact O-CZ 3.45Å; K115-F146 HydrophobicContact CD-CD1 4.03Å; K115-F146 HydrophobicContact CD-CD2 4Å; K115-F146 HydrophobicContact CD-CE1 4.13Å; K115-F146 HydrophobicContact CD-CE2 4.08Å; K115-F146 HydrophobicContact CD-CG 3.95Å; K115-F146 HydrophobicContact CD-CZ 4.14Å
116S97.1Very high90.3Very high0 Ų036.4 Ų36.40%020%0.197CC..EExtended strand (participates in β ladder)trans-124.9147.2168.972.70000111.2V20 V21 A60 S91 C92V20-S116 VanDerWaalsContact CA-O 3.27Å; V20-S116 WeakPolarHBondContact CA-O 3.5Å; V21-S116 PolarHBondContact N-O 3.3Å; V21-S116 PolarHBondContact O-N 3.06Å; A60-S116 PolarHBondContact O-OG 3.49Å; S91-S116 VanDerWaalsContact OG-CB 3.24Å; S91-S116 WeakPolarHBondContact OG-CB 3.44Å; S91-S116 PolarHBondContact OG-OG 3.07Å; C92-S116 CarbonylContact O-C 3.52Å; C92-S116 WeakPolarHBondContact O-CA 3.33Å; C92-S116 WeakPolarHBondContact O-CB 3.45Å
117V97.7Very high91.1Very high0 Ų031.8 Ų31.80%016%0.159CC..EExtended strand (participates in β ladder)trans-104.4127.2164-171.10000106.4I18 C92 L133 T137 Y140 L152 L155I18-V117 HydrophobicContact CG2-CG1 3.99Å; C92-V117 PolarHBondContact N-O 3.27Å; C92-V117 PolarHBondContact O-N 3.16Å; V117-L133 HydrophobicContact CB-CD1 4.05Å; V117-L133 HydrophobicContact CG1-CD1 3.72Å; V117-L133 WeakPolarHBondContact O-CD2 2.95Å; V117-T137 HydrophobicContact CG2-CG2 4.12Å; V117-Y140 HydrophobicContact CG2-CD1 3.76Å; V117-Y140 HydrophobicContact CG2-CE1 4.29Å; V117-Y140 HydrophobicContact CG2-CG 4.46Å; V117-L152 HydrophobicContact CG1-CD2 3.73Å; V117-L152 HydrophobicContact CG2-CD2 4.19Å; V117-L155 HydrophobicContact CG1-CD2 4.47Å
118C97.8Very high91.9Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-125.1140.7-173.7178.30000111I18 V19 A60 F75 V90I18-C118 CarbonylContact C-O 3.56Å; I18-C118 VanDerWaalsContact CA-O 3.32Å; I18-C118 WeakPolarHBondContact CA-O 3.47Å; V19-C118 HydrophobicContact CB-CB 4.3Å; V19-C118 PolarHBondContact N-O 3.07Å; V19-C118 PolarHBondContact O-N 3.36Å; A60-C118 HydrophobicContact CB-CB 4.36Å; F75-C118 WeakPolarHBondContact CZ-SG 3.34Å; V90-C118 CarbonylContact O-C 3.52Å; V90-C118 VanDerWaalsContact O-CA 3.26Å; V90-C118 WeakPolarHBondContact O-CA 3.33Å; V90-C118 PolarHBondContact O-SG 3.28Å; V90-C118 VanDerWaalsContact O-SG 3.39Å
119V97.9Very high92.6Very high0 Ų030.5 Ų30.50%015%0.152CC..EExtended strand (participates in β ladder)trans-110.8123.6173-176.50000108.2V15 I18 G89 V90 L129 L133 M159V15-V119 HydrophobicContact CB-CG1 4.33Å; V15-V119 HydrophobicContact CG1-CG1 3.67Å; V15-V119 HydrophobicContact CG2-CG1 3.79Å; I18-V119 HydrophobicContact CD1-CB 4.39Å; I18-V119 HydrophobicContact CD1-CG1 4.28Å; I18-V119 HydrophobicContact CD1-CG2 3.76Å; G89-V119 WeakPolarHBondContact CA-O 3.44Å; V90-V119 PolarHBondContact N-O 3.31Å; V90-V119 PolarHBondContact O-N 3.15Å; V119-L129 HydrophobicContact CG1-CD1 4.04Å; V119-L129 HydrophobicContact CG1-CD2 4.22Å; V119-L133 HydrophobicContact CG2-CD1 3.72Å; V119-L133 HydrophobicContact CG2-CD2 3.85Å; V119-L133 HydrophobicContact CG2-CG 4.3Å; V119-M159 HydrophobicContact CB-CE 4.42Å; V119-M159 HydrophobicContact CG1-CE 4.05Å; V119-M159 HydrophobicContact CG2-CE 3.44Å; V119-M159 VanDerWaalsContact CG2-CE 3.44Å; V119-M159 HydrophobicContact CG2-SD 4.38Å
120L97.6Very high93.3Very high0 Ų028.5 Ų28.50%014%0.137CC..EExtended strand (participates in β ladder)trans-98.4125.2168.8-56.4-174.1000108.7L16 H17 V19 L38 W53 L56 F75 L77 V87L16-L120 HydrophobicContact CB-CB 4.42Å; L16-L120 WeakPolarHBondContact CB-O 3.49Å; L16-L120 PolarHBondContact N-O 3.44Å; H17-L120 HydrophobicContact CB-CB 4.24Å; H17-L120 HydrophobicContact CB-CD1 4.23Å; H17-L120 HydrophobicContact CB-CG 4.41Å; H17-L120 PolarHBondContact N-O 3.02Å; H17-L120 PolarHBondContact O-N 3.41Å; V19-L120 HydrophobicContact CG2-CD1 4.04Å; V19-L120 HydrophobicContact CG2-CG 4.22Å; L38-L120 HydrophobicContact CD2-CD1 3.92Å; W53-L120 HydrophobicContact CE3-CD1 4.27Å; W53-L120 HydrophobicContact CH2-CD1 4.3Å; W53-L120 HydrophobicContact CZ3-CD1 3.86Å; L56-L120 HydrophobicContact CD1-CD2 4.05Å; L56-L120 HydrophobicContact CD2-CD1 4.23Å; F75-L120 HydrophobicContact CE2-CD2 4.02Å; F75-L120 HydrophobicContact CZ-CD2 4.04Å; L77-L120 HydrophobicContact CD1-CD1 3.99Å; L77-L120 HydrophobicContact CD1-CD2 3.76Å; V87-L120 HydrophobicContact CG1-CB 3.97Å
121S95.1Very high93.8Very high0 Ų025.5 Ų25.50%014%0.138CC..EExtended strand (participates in β ladder)trans-128.6147.6-170.7-178.60000111.8P14 Y88 V123P14-S121 CarbonylContact O-C 3.54Å; P14-S121 WeakPolarHBondContact O-CA 3.38Å; P14-S121 PolarHBondContact O-OG 3.07Å; Y88-S121 PolarHBondContact N-O 3.23Å; Y88-S121 PolarHBondContact O-N 2.81Å; S121-V123 VanDerWaalsContact C-N 3.3Å; S121-V123 WeakPolarHBondContact CB-O 3.48Å; S121-V123 PolarHBondContact OG-N 3.33Å; S121-V123 VanDerWaalsContact OG-N 3.15Å; S121-V123 PolarHBondContact OG-O 2.98Å
122R92.1Very high94Very high58 Ų5819.4 Ų19.422%0.21911%0.109CC..SBendtrans-76.8-21171.2-60.4176.3173-175.1-21.1112.8D9 K12 P14 L16 Y88D9-R122 PolarHBondContact O-NH1 3.27Å; D9-R122 IonicContact OD1-CZ 3.09Å; D9-R122 IonicContact OD1-NH1 3.53Å; D9-R122 PolarHBondContact OD1-NH1 3.44Å; D9-R122 IonicContact OD1-NH2 2.71Å; D9-R122 PolarHBondContact OD1-NH2 2.97Å; K12-R122 VanDerWaalsContact CB-NH1 3.26Å; K12-R122 PolarHBondContact O-NH1 3.32Å; K12-R122 VanDerWaalsContact O-NH1 3.09Å; P14-R122 PolarHBondContact O-N 3.1Å; L16-R122 HydrophobicContact CD1-CG 3.95Å; L16-R122 HydrophobicContact CD2-CG 3.61Å; L16-R122 HydrophobicContact CG-CG 3.63Å; Y88-R122 WeakPolarHBondContact CE2-O 3.43Å
123V91.8Very high94.2Very high33 Ų3316.4 Ų16.420%0.29%0.091CC..SBendtrans-123.1142.6-176.4-71.40000110.8P14 S121 L125 Y174P14-V123 HydrophobicContact CB-CG2 3.33Å; S121-V123 VanDerWaalsContact C-N 3.3Å; S121-V123 WeakPolarHBondContact CB-O 3.48Å; S121-V123 PolarHBondContact OG-N 3.33Å; S121-V123 VanDerWaalsContact OG-N 3.15Å; S121-V123 PolarHBondContact OG-O 2.98Å; V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 HydrophobicContact CB-CG 4.25Å; V123-L125 HydrophobicContact CG2-CD1 3.53Å; V123-L125 HydrophobicContact CG2-CG 3.68Å; V123-L125 PolarHBondContact O-N 3.41Å; V123-Y174 HydrophobicContact CB-CE1 4.43Å
124P93.4Very high94.4Very high3 Ų319.8 Ų19.82%0.01911%0.106CC..  trans-81.462.9-170.929.5-31.3000113.1Y88 Y126 Y174 I229Y88-P124 HydrophobicContact CD1-CB 3.87Å; Y88-P124 HydrophobicContact CD2-CB 3.99Å; Y88-P124 HydrophobicContact CD2-CG 4.44Å; Y88-P124 HydrophobicContact CE1-CB 3.95Å; Y88-P124 HydrophobicContact CE1-CG 4.46Å; Y88-P124 HydrophobicContact CE2-CB 4.07Å; Y88-P124 HydrophobicContact CE2-CG 4.1Å; Y88-P124 HydrophobicContact CG-CB 3.87Å; P124-Y126 VanDerWaalsContact C-N 3.3Å; P124-Y126 HydrophobicContact CB-CD2 4.31Å; P124-Y126 HydrophobicContact CB-CE2 3.49Å; P124-Y126 VanDerWaalsContact CB-CE2 3.49Å; P124-Y126 WeakPolarHBondContact CB-OH 3.43Å; P124-Y126 WeakPolarHBondContact O-CD2 3.49Å; P124-Y126 PolarHBondContact O-N 3.06Å; P124-Y126 VanDerWaalsContact O-N 3.14Å; P124-Y174 HydrophobicContact CG-CD1 4.18Å; P124-Y174 HydrophobicContact CG-CE1 4.48Å; P124-I229 HydrophobicContact CB-CG2 4.48Å; P124-I229 HydrophobicContact CG-CG2 4.44Å; P124-I229 WeakPolarHBondContact CG-O 3.07Å
125L92.1Very high94.5Very high1 Ų124.6 Ų24.61%0.00513%0.132CC..  trans-88.350.4-175.4-62.8178.1000113.2V123 G127 L128 L129 L163 L168 V173 Y174V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 HydrophobicContact CB-CG 4.25Å; V123-L125 HydrophobicContact CG2-CD1 3.53Å; V123-L125 HydrophobicContact CG2-CG 3.68Å; V123-L125 PolarHBondContact O-N 3.41Å; L125-G127 PolarHBondContact O-N 2.78Å; L125-L128 PolarHBondContact O-N 2.74Å; L125-L129 HydrophobicContact CB-CD1 4.05Å; L125-L129 HydrophobicContact CB-CG 3.93Å; L125-L129 VanDerWaalsContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 WeakPolarHBondContact O-CG 3.17Å; L125-L129 PolarHBondContact O-N 3.11Å; L125-L163 HydrophobicContact CD1-CD1 4.19Å; L125-L168 HydrophobicContact CD1-CD2 3.75Å; L125-L168 HydrophobicContact CD2-CD2 4.03Å; L125-V173 HydrophobicContact CD2-CG1 3.86Å; L125-Y174 HydrophobicContact CD2-CD1 3.85Å; L125-Y174 HydrophobicContact CD2-CE1 3.85Å; L125-Y174 HydrophobicContact CD2-CG 4.38Å
126Y94.9Very high94.4Very high1 Ų126.1 Ų26.10%0.00414%0.14CC..Hα-helixtrans-55-59.9-165.4-55.7-73.5000114.4Y74 H76 Y88 V90 P124 L128 L129 Q130 M219 I229Y74-Y126 AromaticContact CD1-CD1 3.97Å; Y74-Y126 HydrophobicContact CD1-CD1 3.97Å; Y74-Y126 HydrophobicContact CD1-CG 4.47Å; Y74-Y126 AromaticContact CD2-CD1 3.98Å; Y74-Y126 HydrophobicContact CD2-CD1 3.98Å; Y74-Y126 HydrophobicContact CD2-CG 4.07Å; Y74-Y126 HydrophobicContact CE2-CG 4.26Å; Y74-Y126 AromaticContact CG-CD1 3.65Å; Y74-Y126 HydrophobicContact CG-CD1 3.65Å; Y74-Y126 HydrophobicContact CG-CE1 4.44Å; Y74-Y126 HydrophobicContact CG-CG 4.18Å; H76-Y126 AromaticContact NE2-CZ 3.72Å; H76-Y126 PolarHBondContact NE2-OH 3.41Å; Y88-Y126 WeakPolarHBondContact CD1-OH 3.34Å; V90-Y126 HydrophobicContact CG2-CD1 4.11Å; P124-Y126 VanDerWaalsContact C-N 3.3Å; P124-Y126 HydrophobicContact CB-CD2 4.31Å; P124-Y126 HydrophobicContact CB-CE2 3.49Å; P124-Y126 VanDerWaalsContact CB-CE2 3.49Å; P124-Y126 WeakPolarHBondContact CB-OH 3.43Å; P124-Y126 WeakPolarHBondContact O-CD2 3.49Å; P124-Y126 PolarHBondContact O-N 3.06Å; P124-Y126 VanDerWaalsContact O-N 3.14Å; Y126-L128 PolarHBondContact O-N 2.57Å; Y126-L129 PolarHBondContact O-N 2.8Å; Y126-Q130 VanDerWaalsContact O-CB 3.31Å; Y126-Q130 WeakPolarHBondContact O-CB 3.11Å; Y126-Q130 PolarHBondContact O-N 2.96Å; Y126-M219 HydrophobicContact CD2-CE 4.19Å; Y126-M219 HydrophobicContact CE2-CE 3.5Å; Y126-M219 VanDerWaalsContact CE2-CE 3.5Å; Y126-I229 HydrophobicContact CE2-CG2 4.32Å
127G92.2Very high94.3Very high9 Ų926.3 Ų26.39%0.09314%0.141CC..Hα-helixtrans-69-36.6-174.600000113.6L125 Q130 A131 A176L125-G127 PolarHBondContact O-N 2.78Å; G127-Q130 PolarHBondContact O-N 3.36Å; G127-A131 PolarHBondContact O-N 3.38Å; G127-A176 VanDerWaalsContact CA-O 3.29Å; G127-A176 WeakPolarHBondContact CA-O 3.13Å
128L91Very high94.2Very high49 Ų4930 Ų3026%0.25716%0.158SC..Hα-helixtrans-64.8-45.6176.7-178.762.1000111.5L125 Y126 K132 L163 V173L125-L128 PolarHBondContact O-N 2.74Å; Y126-L128 PolarHBondContact O-N 2.57Å; L128-K132 PolarHBondContact O-N 3.26Å; L128-L163 HydrophobicContact CD2-CD2 3.46Å; L128-L163 VanDerWaalsContact CD2-CD2 3.46Å; L128-L163 HydrophobicContact CG-CD2 4.43Å; L128-V173 HydrophobicContact CD2-CG1 3.87Å
129L93.9Very high94Very high1 Ų131.6 Ų31.61%0.00517%0.172CC..Hα-helixtrans-66.6-41.9176.1-67.4178.4000110.8V15 V90 V119 L125 Y126 A131 K132 L133 M159 L163V15-L129 HydrophobicContact CG2-CD2 4.4Å; V90-L129 HydrophobicContact CB-CB 4.22Å; V90-L129 HydrophobicContact CG1-CB 4.41Å; V90-L129 HydrophobicContact CG2-CB 3.99Å; V90-L129 HydrophobicContact CG2-CD1 4.16Å; V119-L129 HydrophobicContact CG1-CD1 4.04Å; V119-L129 HydrophobicContact CG1-CD2 4.22Å; L125-L129 HydrophobicContact CB-CD1 4.05Å; L125-L129 HydrophobicContact CB-CG 3.93Å; L125-L129 VanDerWaalsContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 WeakPolarHBondContact O-CG 3.17Å; L125-L129 PolarHBondContact O-N 3.11Å; Y126-L129 PolarHBondContact O-N 2.8Å; L129-A131 PolarHBondContact O-N 2.96Å; L129-K132 PolarHBondContact O-N 2.85Å; L129-L133 WeakPolarHBondContact O-CB 3.48Å; L129-L133 PolarHBondContact O-N 3.38Å; L129-M159 HydrophobicContact CD2-SD 3.47Å; L129-M159 WeakPolarHBondContact CD2-SD 3.32Å; L129-L163 HydrophobicContact CD2-CD1 4.08Å
130Q95.4Very high93.8Very high35 Ų3531.8 Ų31.816%0.16417%0.172CC..Hα-helixtrans-54.6-51.4175.6170.4173.7-51.500111.3T72 Y74 V90 Y126 G127 K132 L133 Q134 N212T72-Q130 HydrophobicContact CG2-CB 4.27Å; T72-Q130 HydrophobicContact CG2-CG 3.87Å; Y74-Q130 HydrophobicContact CE1-CB 4.17Å; Y74-Q130 PolarHBondContact OH-OE1 3.44Å; V90-Q130 HydrophobicContact CG1-CB 4.21Å; Y126-Q130 VanDerWaalsContact O-CB 3.31Å; Y126-Q130 WeakPolarHBondContact O-CB 3.11Å; Y126-Q130 PolarHBondContact O-N 2.96Å; G127-Q130 PolarHBondContact O-N 3.36Å; Q130-K132 VanDerWaalsContact C-N 3.33Å; Q130-K132 PolarHBondContact O-N 3.28Å; Q130-L133 PolarHBondContact O-N 3.14Å; Q130-Q134 HydrophobicContact CG-CG 4.17Å; Q130-Q134 WeakPolarHBondContact O-CB 3.43Å; Q130-Q134 WeakPolarHBondContact O-CG 3.5Å; Q130-Q134 PolarHBondContact O-N 3.08Å; Q130-N212 PolarHBondContact OE1-ND2 3.41Å; Q130-N212 VanDerWaalsContact OE1-ND2 3.11Å
131A92.6Very high93.7Very high62 Ų6231.8 Ų31.851%0.51217%0.172SC..Hα-helixtrans-59-43.3-176.600000112.3G127 L129G127-A131 PolarHBondContact O-N 3.38Å; L129-A131 PolarHBondContact O-N 2.96Å
132K92.4Very high93.6Very high47 Ų4735.9 Ų35.920%0.20419%0.191CC..Hα-helixtrans-69.5-44176.4-68.1-174.5178.5-172.70111.7L128 L129 Q130 L135 I136 M159 S162L128-K132 PolarHBondContact O-N 3.26Å; L129-K132 PolarHBondContact O-N 2.85Å; Q130-K132 VanDerWaalsContact C-N 3.33Å; Q130-K132 PolarHBondContact O-N 3.28Å; K132-L135 PolarHBondContact O-N 2.95Å; K132-I136 WeakPolarHBondContact O-CG1 3.49Å; K132-I136 PolarHBondContact O-N 3.27Å; K132-M159 HydrophobicContact CD-CG 4.34Å; K132-S162 PolarHBondContact NZ-OG 3.42Å; K132-S162 VanDerWaalsContact NZ-OG 3.12Å
133L95Very high93.6Very high0 Ų037.4 Ų37.40%020%0.201CC..Hα-helixtrans-69.4-35.1-174-168.860.6000112.3V90 C92 V117 V119 L129 Q130 I136 T137 L155V90-L133 HydrophobicContact CB-CD2 4.4Å; V90-L133 HydrophobicContact CG1-CD2 4.02Å; V90-L133 VanDerWaalsContact O-CD2 3.28Å; V90-L133 WeakPolarHBondContact O-CD2 3.42Å; C92-L133 HydrophobicContact CB-CD2 4.24Å; C92-L133 HydrophobicContact CB-CG 4.01Å; V117-L133 HydrophobicContact CB-CD1 4.05Å; V117-L133 HydrophobicContact CG1-CD1 3.72Å; V117-L133 WeakPolarHBondContact O-CD2 2.95Å; V119-L133 HydrophobicContact CG2-CD1 3.72Å; V119-L133 HydrophobicContact CG2-CD2 3.85Å; V119-L133 HydrophobicContact CG2-CG 4.3Å; L129-L133 WeakPolarHBondContact O-CB 3.48Å; L129-L133 PolarHBondContact O-N 3.38Å; Q130-L133 PolarHBondContact O-N 3.14Å; L133-I136 PolarHBondContact O-N 3.4Å; L133-T137 WeakPolarHBondContact O-CB 3.26Å; L133-T137 PolarHBondContact O-N 3.05Å; L133-T137 PolarHBondContact O-OG1 2.85Å; L133-L155 HydrophobicContact CD1-CD2 3.92Å
134Q95.1Very high93.6Very high85 Ų8539.4 Ų39.440%0.39721%0.207SC..Hα-helixtrans-59.9-46.3174.5-76.5179.3-20.100111.6T72 C92 Q130 H138T72-Q134 PolarHBondContact OG1-NE2 3.1Å; T72-Q134 VanDerWaalsContact OG1-NE2 3.08Å; C92-Q134 VanDerWaalsContact SG-CG 3.59Å; Q130-Q134 HydrophobicContact CG-CG 4.17Å; Q130-Q134 WeakPolarHBondContact O-CB 3.43Å; Q130-Q134 WeakPolarHBondContact O-CG 3.5Å; Q130-Q134 PolarHBondContact O-N 3.08Å; Q134-H138 WeakPolarHBondContact O-CB 3.24Å; Q134-H138 PolarHBondContact O-N 3.48Å
135L93.5Very high93.5Very high124 Ų12440.4 Ų40.465%0.64921%0.212SC*.Hα-helixtrans-62.2-45.8178.1-177.367.6000111.9K132 H138 A139K132-L135 PolarHBondContact O-N 2.95Å; L135-H138 WeakPolarHBondContact O-CB 3.39Å; L135-H138 PolarHBondContact O-N 3.32Å; L135-A139 PolarHBondContact O-N 2.9Å
136I93.6Very high93.4Very high40 Ų4041.4 Ų41.421%0.20522%0.216CC..Hα-helixtrans-74.4-36.9-176-61.1-73.1000111.6K132 L133 H138 A139 Y140 I151 L155K132-I136 WeakPolarHBondContact O-CG1 3.49Å; K132-I136 PolarHBondContact O-N 3.27Å; L133-I136 PolarHBondContact O-N 3.4Å; I136-H138 VanDerWaalsContact C-N 3.29Å; I136-H138 PolarHBondContact O-N 2.99Å; I136-A139 PolarHBondContact O-N 3.09Å; I136-Y140 WeakPolarHBondContact O-CB 3.37Å; I136-Y140 PolarHBondContact O-N 2.98Å; I136-I151 HydrophobicContact CG2-CD1 4.11Å; I136-I151 HydrophobicContact CG2-CG1 3.99Å; I136-L155 HydrophobicContact CB-CD1 4.41Å; I136-L155 HydrophobicContact CB-CD2 4.27Å; I136-L155 HydrophobicContact CG1-CD1 3.92Å; I136-L155 HydrophobicContact CG2-CB 4.3Å; I136-L155 HydrophobicContact CG2-CD1 4.42Å; I136-L155 HydrophobicContact CG2-CD2 3.78Å; I136-L155 HydrophobicContact CG2-CG 4.36Å
137T95.3Very high93Very high5 Ų544.4 Ų44.43%0.03124%0.238CC..Hα-helixtrans-61.3-42.1172.7-57.20000110.2C92 R94 V117 L133 Y140 F141C92-T137 HydrophobicContact CB-CG2 4.23Å; C92-T137 WeakPolarHBondContact CB-OG1 3.2Å; R94-T137 HydrophobicContact CB-CG2 4.46Å; V117-T137 HydrophobicContact CG2-CG2 4.12Å; L133-T137 WeakPolarHBondContact O-CB 3.26Å; L133-T137 PolarHBondContact O-N 3.05Å; L133-T137 PolarHBondContact O-OG1 2.85Å; T137-Y140 PolarHBondContact O-N 3.06Å; T137-F141 HydrophobicContact CG2-CD2 4.03Å; T137-F141 HydrophobicContact CG2-CE2 3.99Å; T137-F141 VanDerWaalsContact O-CD2 3.25Å; T137-F141 WeakPolarHBondContact O-CD2 3.29Å; T137-F141 PolarHBondContact O-N 3.44Å
138H94.8Very high92.7Very high77 Ų7748.4 Ų48.436%0.35625%0.254SS..Hα-helixtrans-59.3-50.5174.5-175.585.1000111.6R94 Q134 L135 I136 Y140 F141 E142R94-H138 PolarHBondContact NH1-ND1 2.93Å; Q134-H138 WeakPolarHBondContact O-CB 3.24Å; Q134-H138 PolarHBondContact O-N 3.48Å; L135-H138 WeakPolarHBondContact O-CB 3.39Å; L135-H138 PolarHBondContact O-N 3.32Å; I136-H138 VanDerWaalsContact C-N 3.29Å; I136-H138 PolarHBondContact O-N 2.99Å; H138-Y140 PolarHBondContact O-N 3.02Å; H138-F141 PolarHBondContact O-N 3.23Å; H138-E142 PolarHBondContact O-N 3.04Å
139A94.2Very high92.6Very high34 Ų3448 Ų4828%0.28125%0.251SS..Hα-helixtrans-59.2-43.4177.300000112.6L135 I136 F141 E142 E143 I151L135-A139 PolarHBondContact O-N 2.9Å; I136-A139 PolarHBondContact O-N 3.09Å; A139-F141 VanDerWaalsContact C-N 3.28Å; A139-F141 PolarHBondContact O-N 3.3Å; A139-E142 PolarHBondContact O-N 3.46Å; A139-E142 VanDerWaalsContact O-N 3.14Å; A139-E143 PolarHBondContact O-N 2.99Å; A139-E143 VanDerWaalsContact O-N 3.11Å; A139-I151 HydrophobicContact CB-CD1 3.63Å
140Y94.8Very high92.5Very high4 Ų450.8 Ų50.82%0.01627%0.271CS..Hα-helixtrans-59.3-36.9176.6179.4-118.5000112.7V20 V117 I136 T137 H138 F146 I151 L152V20-Y140 HydrophobicContact CG1-CE1 4.46Å; V117-Y140 HydrophobicContact CG2-CD1 3.76Å; V117-Y140 HydrophobicContact CG2-CE1 4.29Å; V117-Y140 HydrophobicContact CG2-CG 4.46Å; I136-Y140 WeakPolarHBondContact O-CB 3.37Å; I136-Y140 PolarHBondContact O-N 2.98Å; T137-Y140 PolarHBondContact O-N 3.06Å; H138-Y140 PolarHBondContact O-N 3.02Å; Y140-F146 HydrophobicContact CD1-CD1 4.17Å; Y140-F146 HydrophobicContact CD1-CE1 4.25Å; Y140-F146 AromaticContact CE1-CD1 3.52Å; Y140-F146 HydrophobicContact CE1-CD1 3.52Å; Y140-F146 AromaticContact CE1-CE1 3.94Å; Y140-F146 HydrophobicContact CE1-CE1 3.94Å; Y140-F146 HydrophobicContact CE2-CD1 4.23Å; Y140-F146 AromaticContact CZ-CD1 3.55Å; Y140-F146 PolarHBondContact OH-O 3.4Å; Y140-I151 HydrophobicContact CD2-CG2 3.8Å; Y140-I151 HydrophobicContact CG-CG2 4.49Å; Y140-L152 HydrophobicContact CD2-CD2 4.36Å; Y140-L152 HydrophobicContact CD2-CG 4.41Å; Y140-L152 HydrophobicContact CE2-CD1 4.11Å; Y140-L152 HydrophobicContact CE2-CG 4.42Å; Y140-L152 HydrophobicContact CG-CD2 4.4Å
141F94.4Very high92.4Very high0 Ų050.6 Ų50.60%027%0.271CS..Hα-helixtrans-75.8-33.4175.1-87.7-107.2000113.2R94 I96 K115 T137 H138 A139 E143 K144 F146R94-F141 HydrophobicContact CB-CD1 4.09Å; R94-F141 HydrophobicContact CB-CD2 4.13Å; R94-F141 HydrophobicContact CB-CE1 3.84Å; R94-F141 HydrophobicContact CB-CE2 3.86Å; R94-F141 HydrophobicContact CB-CG 4.22Å; R94-F141 HydrophobicContact CB-CZ 3.71Å; R94-F141 HydrophobicContact CG-CD1 3.91Å; R94-F141 HydrophobicContact CG-CE1 4.05Å; R94-F141 HydrophobicContact CG-CG 4.16Å; R94-F141 HydrophobicContact CG-CZ 4.41Å; R94-F141 VanDerWaalsContact O-CE1 3.3Å; R94-F141 WeakPolarHBondContact O-CE1 3.32Å; R94-F141 WeakPolarHBondContact O-CZ 3.45Å; I96-F141 HydrophobicContact CB-CD1 3.93Å; I96-F141 HydrophobicContact CB-CE1 4.24Å; I96-F141 HydrophobicContact CG2-CD1 3.91Å; I96-F141 HydrophobicContact CG2-CE1 3.93Å; K115-F141 HydrophobicContact CB-CE2 4.33Å; K115-F141 HydrophobicContact CB-CZ 3.85Å; K115-F141 WeakPolarHBondContact O-CZ 3.45Å; T137-F141 HydrophobicContact CG2-CD2 4.03Å; T137-F141 HydrophobicContact CG2-CE2 3.99Å; T137-F141 VanDerWaalsContact O-CD2 3.25Å; T137-F141 WeakPolarHBondContact O-CD2 3.29Å; T137-F141 PolarHBondContact O-N 3.44Å; H138-F141 PolarHBondContact O-N 3.23Å; A139-F141 VanDerWaalsContact C-N 3.28Å; A139-F141 PolarHBondContact O-N 3.3Å; F141-E143 VanDerWaalsContact C-N 3.27Å; F141-E143 PolarHBondContact O-N 3.48Å; F141-K144 PolarHBondContact O-N 2.62Å; F141-K144 VanDerWaalsContact O-N 3.16Å; F141-F146 HydrophobicContact CD1-CE1 4.18Å; F141-F146 AromaticContact CD1-CZ 3.95Å; F141-F146 HydrophobicContact CD1-CZ 3.95Å; F141-F146 HydrophobicContact CD2-CE1 4.23Å; F141-F146 HydrophobicContact CE1-CE1 4.28Å; F141-F146 AromaticContact CE1-CZ 3.91Å; F141-F146 HydrophobicContact CE1-CZ 3.91Å; F141-F146 HydrophobicContact CE2-CE1 4.34Å; F141-F146 HydrophobicContact CG-CE1 4.17Å; F141-F146 HydrophobicContact CG-CZ 4.4Å; F141-F146 HydrophobicContact CZ-CE1 4.37Å; F141-F146 HydrophobicContact CZ-CZ 4.33Å
142E93.6Very high92.4Very high85 Ų8547.6 Ų47.640%0.39725%0.246SC..Hα-helixtrans-68.9-25176.9-74.8-56.2131.200113.1R94 H138 A139 K144R94-E142 IonicContact NH2-OE1 3.63Å; H138-E142 PolarHBondContact O-N 3.04Å; A139-E142 PolarHBondContact O-N 3.46Å; A139-E142 VanDerWaalsContact O-N 3.14Å; E142-K144 WeakPolarHBondContact O-CG 3.36Å; E142-K144 PolarHBondContact O-N 2.78Å
143E92.1Very high92.5Very high91 Ų9148.6 Ų48.643%0.42525%0.251SS..THydrogen-bonded Turntrans-59.6-27.7170.9-73.8-53.8142.300112.5K102 A139 F141 D145K102-E143 WeakPolarHBondContact CD-O 3.46Å; K102-E143 VanDerWaalsContact CE-O 3.28Å; K102-E143 WeakPolarHBondContact CE-O 3.26Å; K102-E143 PolarHBondContact NZ-O 3.5Å; A139-E143 PolarHBondContact O-N 2.99Å; A139-E143 VanDerWaalsContact O-N 3.11Å; F141-E143 VanDerWaalsContact C-N 3.27Å; F141-E143 PolarHBondContact O-N 3.48Å; E143-D145 PolarHBondContact O-N 2.62Å
144K92.2Very high92.4Very high74 Ų7454.4 Ų54.432%0.32228%0.278SS..  trans57.914.8178.9-64.3162.6-179179.70114.1I96 A100 K102 F141 E142I96-K144 HydrophobicContact CD1-CG 4.14Å; A100-K144 WeakPolarHBondContact O-CD 3.41Å; A100-K144 WeakPolarHBondContact O-CG 3.48Å; K102-K144 HydrophobicContact CD-CB 4.21Å; K102-K144 HydrophobicContact CG-CB 3.89Å; K102-K144 PolarHBondContact N-O 3.17Å; F141-K144 PolarHBondContact O-N 2.62Å; F141-K144 VanDerWaalsContact O-N 3.16Å; E142-K144 WeakPolarHBondContact O-CG 3.36Å; E142-K144 PolarHBondContact O-N 2.78Å
145D90.6Very high92.3Very high24 Ų2450.6 Ų50.613%0.12826%0.26CS..  trans-138.299.9175.8179.72000108.8V103 E143 S147 Q148V103-D145 HydrophobicContact CG2-CB 4.34Å; E143-D145 PolarHBondContact O-N 2.62Å; D145-S147 VanDerWaalsContact CG-OG 3.27Å; D145-S147 PolarHBondContact O-N 2.81Å; D145-S147 WeakPolarHBondContact OD1-CB 3.15Å; D145-S147 PolarHBondContact OD1-N 2.9Å; D145-S147 VanDerWaalsContact OD1-N 3.07Å; D145-S147 PolarHBondContact OD1-OG 2.86Å; D145-S147 PolarHBondContact OD2-OG 3.13Å; D145-Q148 HydrophobicContact CB-CG 4.28Å; D145-Q148 PolarHBondContact O-N 3.15Å
146F89.9Confident92.4Very high22 Ų2246.6 Ų46.610%0.09624%0.237CC..THydrogen-bonded Turntrans-74.1-6.5-175.6-63.7-57.1000114.1I96 L101 V113 K115 Y140 F141 Q148I96-F146 HydrophobicContact CG2-CE2 4.12Å; I96-F146 HydrophobicContact CG2-CZ 3.84Å; L101-F146 HydrophobicContact CD1-CE2 4.42Å; L101-F146 HydrophobicContact CD2-CD2 4.07Å; L101-F146 HydrophobicContact CD2-CE2 3.48Å; L101-F146 VanDerWaalsContact CD2-CE2 3.48Å; L101-F146 HydrophobicContact CD2-CZ 4.16Å; V113-F146 HydrophobicContact CG1-CE2 3.84Å; K115-F146 HydrophobicContact CD-CD1 4.03Å; K115-F146 HydrophobicContact CD-CD2 4Å; K115-F146 HydrophobicContact CD-CE1 4.13Å; K115-F146 HydrophobicContact CD-CE2 4.08Å; K115-F146 HydrophobicContact CD-CG 3.95Å; K115-F146 HydrophobicContact CD-CZ 4.14Å; Y140-F146 HydrophobicContact CD1-CD1 4.17Å; Y140-F146 HydrophobicContact CD1-CE1 4.25Å; Y140-F146 AromaticContact CE1-CD1 3.52Å; Y140-F146 HydrophobicContact CE1-CD1 3.52Å; Y140-F146 AromaticContact CE1-CE1 3.94Å; Y140-F146 HydrophobicContact CE1-CE1 3.94Å; Y140-F146 HydrophobicContact CE2-CD1 4.23Å; Y140-F146 AromaticContact CZ-CD1 3.55Å; Y140-F146 PolarHBondContact OH-O 3.4Å; F141-F146 HydrophobicContact CD1-CE1 4.18Å; F141-F146 AromaticContact CD1-CZ 3.95Å; F141-F146 HydrophobicContact CD1-CZ 3.95Å; F141-F146 HydrophobicContact CD2-CE1 4.23Å; F141-F146 HydrophobicContact CE1-CE1 4.28Å; F141-F146 AromaticContact CE1-CZ 3.91Å; F141-F146 HydrophobicContact CE1-CZ 3.91Å; F141-F146 HydrophobicContact CE2-CE1 4.34Å; F141-F146 HydrophobicContact CG-CE1 4.17Å; F141-F146 HydrophobicContact CG-CZ 4.4Å; F141-F146 HydrophobicContact CZ-CE1 4.37Å; F141-F146 HydrophobicContact CZ-CZ 4.33Å; F146-Q148 PolarHBondContact O-N 3.06Å
147S86.6Confident92.4Very high65 Ų6550.1 Ų50.146%0.45525%0.252SS..THydrogen-bonded Turntrans-72.8-17171.571.80000112.8D145 I149D145-S147 VanDerWaalsContact CG-OG 3.27Å; D145-S147 PolarHBondContact O-N 2.81Å; D145-S147 WeakPolarHBondContact OD1-CB 3.15Å; D145-S147 PolarHBondContact OD1-N 2.9Å; D145-S147 VanDerWaalsContact OD1-N 3.07Å; D145-S147 PolarHBondContact OD1-OG 2.86Å; D145-S147 PolarHBondContact OD2-OG 3.13Å; S147-I149 PolarHBondContact O-N 3.04Å; S147-I149 VanDerWaalsContact O-N 3.13Å
148Q85.6Confident92.1Very high93 Ų9355.2 Ų55.244%0.43528%0.276SS..  trans-81.191.3178.6-62.5-63.6-10.800111.4D145 F146D145-Q148 HydrophobicContact CB-CG 4.28Å; D145-Q148 PolarHBondContact O-N 3.15Å; F146-Q148 PolarHBondContact O-N 3.06Å
149I88.9Confident91.9Very high39 Ų3951.6 Ų51.620%0.226%0.259CS..  trans-941.6-177.458.8166.4000114.2F33 S147 I151 L152 K153F33-I149 HydrophobicContact CD2-CB 4.46Å; F33-I149 HydrophobicContact CD2-CD1 4.16Å; F33-I149 HydrophobicContact CD2-CG2 3.92Å; F33-I149 HydrophobicContact CE1-CB 4.42Å; F33-I149 HydrophobicContact CE2-CB 3.97Å; F33-I149 HydrophobicContact CE2-CD1 3.33Å; F33-I149 HydrophobicContact CE2-CG1 4.23Å; F33-I149 HydrophobicContact CE2-CG2 3.94Å; F33-I149 HydrophobicContact CG-CG2 4.23Å; F33-I149 HydrophobicContact CZ-CB 3.91Å; F33-I149 HydrophobicContact CZ-CD1 3.83Å; F33-I149 HydrophobicContact CZ-CG1 4.42Å; F33-I149 HydrophobicContact CZ-CG2 4.23Å; S147-I149 PolarHBondContact O-N 3.04Å; S147-I149 VanDerWaalsContact O-N 3.13Å; I149-I151 PolarHBondContact O-N 3.36Å; I149-L152 HydrophobicContact CG2-CD1 4.41Å; I149-L152 WeakPolarHBondContact O-CB 3.45Å; I149-L152 PolarHBondContact O-N 3.43Å; I149-L152 VanDerWaalsContact O-N 3.16Å; I149-K153 PolarHBondContact O-N 3.45Å
150S92.5Very high91.7Very high60 Ų6050.1 Ų50.142%0.4225%0.246SC..Hα-helixtrans-58.5-45.8-178.450.10000112L152 K153 E154S150-L152 PolarHBondContact O-N 3.34Å; S150-L152 VanDerWaalsContact O-N 3.16Å; S150-K153 PolarHBondContact O-N 2.93Å; S150-E154 WeakPolarHBondContact O-CG 3.39Å; S150-E154 PolarHBondContact O-N 2.88Å
151I92.6Very high91.4Very high31 Ų3152.4 Ų52.416%0.15927%0.271CS..Hα-helixtrans-57.5-32178.3-167.1173.2000112.5I136 A139 Y140 I149 L155I136-I151 HydrophobicContact CG2-CD1 4.11Å; I136-I151 HydrophobicContact CG2-CG1 3.99Å; A139-I151 HydrophobicContact CB-CD1 3.63Å; Y140-I151 HydrophobicContact CD2-CG2 3.8Å; Y140-I151 HydrophobicContact CG-CG2 4.49Å; I149-I151 PolarHBondContact O-N 3.36Å; I151-L155 VanDerWaalsContact O-CB 3.23Å; I151-L155 WeakPolarHBondContact O-CB 3.45Å; I151-L155 PolarHBondContact O-N 3.41Å
152L94Very high90.9Very high0 Ų054.9 Ų54.90%029%0.288CS..Hα-helixtrans-76.6-34.5179.4-56.2178.7000112I18 V20 F33 V117 Y140 I149 S150 L155 Y156I18-L152 HydrophobicContact CG2-CB 4.24Å; I18-L152 HydrophobicContact CG2-CD2 4.42Å; V20-L152 HydrophobicContact CG2-CD1 3.4Å; F33-L152 HydrophobicContact CD1-CD1 3.73Å; F33-L152 HydrophobicContact CE1-CB 3.98Å; F33-L152 HydrophobicContact CE1-CD1 3.84Å; V117-L152 HydrophobicContact CG1-CD2 3.73Å; V117-L152 HydrophobicContact CG2-CD2 4.19Å; Y140-L152 HydrophobicContact CD2-CD2 4.36Å; Y140-L152 HydrophobicContact CD2-CG 4.41Å; Y140-L152 HydrophobicContact CE2-CD1 4.11Å; Y140-L152 HydrophobicContact CE2-CG 4.42Å; Y140-L152 HydrophobicContact CG-CD2 4.4Å; I149-L152 HydrophobicContact CG2-CD1 4.41Å; I149-L152 WeakPolarHBondContact O-CB 3.45Å; I149-L152 PolarHBondContact O-N 3.43Å; I149-L152 VanDerWaalsContact O-N 3.16Å; S150-L152 PolarHBondContact O-N 3.34Å; S150-L152 VanDerWaalsContact O-N 3.16Å; L152-L155 WeakPolarHBondContact O-CB 3.43Å; L152-Y156 PolarHBondContact O-N 2.63Å; L152-Y156 VanDerWaalsContact O-N 3.16Å
153K93.8Very high90.2Very high68 Ų6851.2 Ų51.230%0.29627%0.271SS..Hα-helixtrans-70.3-45.4174-64.6-177.1179.6179.10111Y35 I149 S150 L155 Y156 E157Y35-K153 HydrophobicContact CD1-CB 4.29Å; Y35-K153 HydrophobicContact CD1-CG 4.02Å; Y35-K153 HydrophobicContact CD2-CD 4.22Å; Y35-K153 HydrophobicContact CD2-CG 3.89Å; Y35-K153 HydrophobicContact CE1-CB 4.06Å; Y35-K153 HydrophobicContact CE1-CG 4.05Å; Y35-K153 HydrophobicContact CE2-CD 4.01Å; Y35-K153 HydrophobicContact CE2-CG 3.97Å; Y35-K153 HydrophobicContact CG-CG 3.93Å; I149-K153 PolarHBondContact O-N 3.45Å; S150-K153 PolarHBondContact O-N 2.93Å; K153-L155 VanDerWaalsContact C-N 3.26Å; K153-L155 PolarHBondContact O-N 3.25Å; K153-Y156 WeakPolarHBondContact O-CB 3.49Å; K153-Y156 PolarHBondContact O-N 2.62Å; K153-Y156 VanDerWaalsContact O-N 3.14Å; K153-E157 PolarHBondContact O-N 2.94Å
154E93.2Very high89.2Confident122 Ų12253.4 Ų53.457%0.5728%0.276SS*.Hα-helixtrans-59.2-39.6174.1-71173.5-159.200111.1S150 Y156 E157 H158S150-E154 WeakPolarHBondContact O-CG 3.39Å; S150-E154 PolarHBondContact O-N 2.88Å; E154-Y156 PolarHBondContact O-N 2.9Å; E154-E157 PolarHBondContact O-N 2.84Å; E154-H158 WeakPolarHBondContact O-CB 3.25Å; E154-H158 PolarHBondContact O-N 3.43Å
155L92.9Very high87.8Confident4 Ų452.7 Ų52.72%0.02129%0.289CS..Hα-helixtrans-58.3-47.5173.6175.260000112.2I18 V117 L133 I136 I151 L152 K153 M159I18-L155 HydrophobicContact CD1-CD2 4.04Å; I18-L155 HydrophobicContact CD1-CG 4.13Å; I18-L155 HydrophobicContact CG2-CD2 4.43Å; V117-L155 HydrophobicContact CG1-CD2 4.47Å; L133-L155 HydrophobicContact CD1-CD2 3.92Å; I136-L155 HydrophobicContact CB-CD1 4.41Å; I136-L155 HydrophobicContact CB-CD2 4.27Å; I136-L155 HydrophobicContact CG1-CD1 3.92Å; I136-L155 HydrophobicContact CG2-CB 4.3Å; I136-L155 HydrophobicContact CG2-CD1 4.42Å; I136-L155 HydrophobicContact CG2-CD2 3.78Å; I136-L155 HydrophobicContact CG2-CG 4.36Å; I151-L155 VanDerWaalsContact O-CB 3.23Å; I151-L155 WeakPolarHBondContact O-CB 3.45Å; I151-L155 PolarHBondContact O-N 3.41Å; L152-L155 WeakPolarHBondContact O-CB 3.43Å; K153-L155 VanDerWaalsContact C-N 3.26Å; K153-L155 PolarHBondContact O-N 3.25Å; L155-M159 HydrophobicContact CD1-CE 3.33Å; L155-M159 HydrophobicContact CD1-CG 3.96Å; L155-M159 HydrophobicContact CD1-SD 4.02Å; L155-M159 HydrophobicContact CD2-CE 3.82Å; L155-M159 HydrophobicContact CG-CE 3.35Å; L155-M159 WeakPolarHBondContact O-CB 3.48Å; L155-M159 WeakPolarHBondContact O-CG 3.37Å; L155-M159 PolarHBondContact O-N 3.5Å
156Y94.5Very high86Confident41 Ų4155.3 Ų55.316%0.16131%0.309CS..Hα-helixtrans-59.7-49.9177.4176-95.6000111.7V15 I18 Y35 P36 L152 K153 E154 M159 N160V15-Y156 HydrophobicContact CG1-CD2 3.87Å; V15-Y156 HydrophobicContact CG1-CE2 4.14Å; V15-Y156 WeakPolarHBondContact O-CE2 3.31Å; I18-Y156 HydrophobicContact CG1-CD2 4.19Å; I18-Y156 HydrophobicContact CG1-CG 4.45Å; Y35-Y156 AromaticContact CD1-CD1 3.96Å; Y35-Y156 HydrophobicContact CD1-CD1 3.96Å; Y35-Y156 HydrophobicContact CD1-CD2 4.5Å; Y35-Y156 AromaticContact CD1-CG 3.81Å; Y35-Y156 HydrophobicContact CD1-CG 3.81Å; Y35-Y156 AromaticContact CE1-CD1 3.57Å; Y35-Y156 HydrophobicContact CE1-CD1 3.57Å; Y35-Y156 HydrophobicContact CE1-CE1 4.28Å; Y35-Y156 AromaticContact CE1-CG 3.91Å; Y35-Y156 HydrophobicContact CE1-CG 3.91Å; P36-Y156 VanDerWaalsContact CD-CZ 3.41Å; P36-Y156 HydrophobicContact CG-CE1 4.19Å; P36-Y156 HydrophobicContact CG-CE2 4.12Å; L152-Y156 PolarHBondContact O-N 2.63Å; L152-Y156 VanDerWaalsContact O-N 3.16Å; K153-Y156 WeakPolarHBondContact O-CB 3.49Å; K153-Y156 PolarHBondContact O-N 2.62Å; K153-Y156 VanDerWaalsContact O-N 3.14Å; E154-Y156 PolarHBondContact O-N 2.9Å; Y156-M159 PolarHBondContact O-N 3.17Å; Y156-N160 WeakPolarHBondContact CE2-ND2 3.37Å; Y156-N160 WeakPolarHBondContact O-CB 3.47Å; Y156-N160 PolarHBondContact O-N 2.6Å; Y156-N160 PolarHBondContact OH-ND2 3.3Å
157E93.2Very high84.2Confident114 Ų11457.1 Ų57.153%0.53333%0.329SS..Hα-helixtrans-64.3-43.7-179-69.8175.6-173.500111.3K153 E154 N160 G161K153-E157 PolarHBondContact O-N 2.94Å; E154-E157 PolarHBondContact O-N 2.84Å; E157-N160 PolarHBondContact O-N 3.07Å; E157-G161 PolarHBondContact O-N 3.26Å
158H90.4Very high83Confident112 Ų11256 Ų5652%0.51932%0.317SS..Hα-helixtrans-64.9-45177.8176.2-129000112E154 G161 S162E154-H158 WeakPolarHBondContact O-CB 3.25Å; E154-H158 PolarHBondContact O-N 3.43Å; H158-G161 PolarHBondContact O-N 3.5Å; H158-S162 WeakPolarHBondContact O-CB 3.42Å; H158-S162 PolarHBondContact O-N 3.5Å
159M90Very high81.6Confident0 Ų058.7 Ų58.70%033%0.33CS..Hα-helixtrans-65-43.6177.8-76-162.4-80.100111.4V15 I18 V119 L129 K132 L155 Y156 G161 L163V15-M159 HydrophobicContact CG2-CB 3.83Å; V15-M159 HydrophobicContact CG2-CE 4.5Å; V15-M159 HydrophobicContact CG2-SD 4.32Å; I18-M159 HydrophobicContact CD1-CE 3.49Å; I18-M159 VanDerWaalsContact CD1-CE 3.49Å; V119-M159 HydrophobicContact CB-CE 4.42Å; V119-M159 HydrophobicContact CG1-CE 4.05Å; V119-M159 HydrophobicContact CG2-CE 3.44Å; V119-M159 VanDerWaalsContact CG2-CE 3.44Å; V119-M159 HydrophobicContact CG2-SD 4.38Å; L129-M159 HydrophobicContact CD2-SD 3.47Å; L129-M159 WeakPolarHBondContact CD2-SD 3.32Å; K132-M159 HydrophobicContact CD-CG 4.34Å; L155-M159 HydrophobicContact CD1-CE 3.33Å; L155-M159 HydrophobicContact CD1-CG 3.96Å; L155-M159 HydrophobicContact CD1-SD 4.02Å; L155-M159 HydrophobicContact CD2-CE 3.82Å; L155-M159 HydrophobicContact CG-CE 3.35Å; L155-M159 WeakPolarHBondContact O-CB 3.48Å; L155-M159 WeakPolarHBondContact O-CG 3.37Å; L155-M159 PolarHBondContact O-N 3.5Å; Y156-M159 PolarHBondContact O-N 3.17Å; M159-G161 VanDerWaalsContact C-N 3.29Å; M159-G161 PolarHBondContact O-N 3.32Å; M159-L163 HydrophobicContact CB-CD1 4.19Å; M159-L163 WeakPolarHBondContact O-CB 3.44Å; M159-L163 WeakPolarHBondContact O-CG 3.37Å; M159-L163 PolarHBondContact O-N 3Å
160N91.1Very high80.4Confident4 Ų458.7 Ų58.72%0.02134%0.34CS..Hα-helixtrans-72.7-19175.9-80.9-34.5000113.7G13 P14 V15 Y156 E157 R164G13-N160 WeakPolarHBondContact CA-OD1 3.42Å; P14-N160 WeakPolarHBondContact CD-OD1 3.41Å; P14-N160 VanDerWaalsContact N-OD1 3.17Å; V15-N160 WeakPolarHBondContact CB-OD1 3.34Å; V15-N160 PolarHBondContact N-OD1 2.99Å; V15-N160 PolarHBondContact O-ND2 3.48Å; V15-N160 PolarHBondContact O-OD1 3.36Å; Y156-N160 WeakPolarHBondContact CE2-ND2 3.37Å; Y156-N160 WeakPolarHBondContact O-CB 3.47Å; Y156-N160 PolarHBondContact O-N 2.6Å; Y156-N160 PolarHBondContact OH-ND2 3.3Å; E157-N160 PolarHBondContact O-N 3.07Å; N160-R164 WeakPolarHBondContact O-CD 3.29Å; N160-R164 WeakPolarHBondContact O-CG 3.49Å; N160-R164 PolarHBondContact O-NE 3.2Å
161G88Confident79.4Confident51 Ų5158.9 Ų58.953%0.52634%0.341SS..Hα-helixtrans-81.4-44.2171.400000112.6E157 H158 M159E157-G161 PolarHBondContact O-N 3.26Å; H158-G161 PolarHBondContact O-N 3.5Å; M159-G161 VanDerWaalsContact C-N 3.29Å; M159-G161 PolarHBondContact O-N 3.32Å
162S83Confident78.6Confident53 Ų5362 Ų6237%0.37136%0.355SS..Hα-helixtrans-77.1-27.7-176.5167.10000113.7K132 H158K132-S162 PolarHBondContact NZ-OG 3.42Å; K132-S162 VanDerWaalsContact NZ-OG 3.12Å; H158-S162 WeakPolarHBondContact O-CB 3.42Å; H158-S162 PolarHBondContact O-N 3.5Å
163L78.8Confident78Confident7 Ų763.6 Ų63.64%0.03737%0.365CS..THydrogen-bonded Turntrans-101.512.2-176-55.6172.9000112.9P14 L125 L128 L129 M159 L168P14-L163 HydrophobicContact CG-CB 3.39Å; P14-L163 HydrophobicContact CG-CD1 4.01Å; P14-L163 HydrophobicContact CG-CG 4.35Å; L125-L163 HydrophobicContact CD1-CD1 4.19Å; L128-L163 HydrophobicContact CD2-CD2 3.46Å; L128-L163 VanDerWaalsContact CD2-CD2 3.46Å; L128-L163 HydrophobicContact CG-CD2 4.43Å; L129-L163 HydrophobicContact CD2-CD1 4.08Å; M159-L163 HydrophobicContact CB-CD1 4.19Å; M159-L163 WeakPolarHBondContact O-CB 3.44Å; M159-L163 WeakPolarHBondContact O-CG 3.37Å; M159-L163 PolarHBondContact O-N 3Å; L163-L168 WeakPolarHBondContact O-CD1 3.49Å
164R71.3Confident77.5Confident138 Ų13861.9 Ų61.952%0.52136%0.357SS..SBendtrans-85.3143.2172.5-87.8174.8-151.7-143.24.2110.9N160N160-R164 WeakPolarHBondContact O-CD 3.29Å; N160-R164 WeakPolarHBondContact O-CG 3.49Å; N160-R164 PolarHBondContact O-NE 3.2Å
165G62.8Low77.2Confident59 Ų5956.9 Ų56.961%0.60833%0.333SS*.G310 helixtrans83.1-157.217000000115A167 L168G165-A167 PolarHBondContact O-N 3.44Å; G165-L168 PolarHBondContact O-N 3.06Å
166S52.6Low76.9Confident78 Ų7858.3 Ų58.355%0.54535%0.346SS..G310 helixtrans-54.1-11.1-176.8163.40000114.8L168 E169S166-L168 PolarHBondContact O-N 3.08Å; S166-L168 VanDerWaalsContact O-N 3.15Å; S166-E169 VanDerWaalsContact CB-OE2 3.27Å; S166-E169 WeakPolarHBondContact CB-OE2 3.29Å; S166-E169 WeakPolarHBondContact O-CB 3.32Å; S166-E169 PolarHBondContact O-N 3.03Å; S166-E169 PolarHBondContact OG-OE2 2.79Å
167A52.5Low76.5Confident61 Ų6159.7 Ų59.750%0.50437%0.373SS..G310 helixtrans-63-16.5172.800000114.5G165G165-A167 PolarHBondContact O-N 3.44Å
168L61.1Low76.5Confident41 Ų4154.5 Ų54.522%0.21535%0.349CS..G310 helixtrans-93.64.4171.9-63.9174000113L125 L163 G165 S166 G170 V173L125-L168 HydrophobicContact CD1-CD2 3.75Å; L125-L168 HydrophobicContact CD2-CD2 4.03Å; L163-L168 WeakPolarHBondContact O-CD1 3.49Å; G165-L168 PolarHBondContact O-N 3.06Å; S166-L168 PolarHBondContact O-N 3.08Å; S166-L168 VanDerWaalsContact O-N 3.15Å; L168-G170 PolarHBondContact O-N 3.04Å; L168-G170 VanDerWaalsContact O-N 3.12Å; L168-V173 HydrophobicContact CD2-CG1 4.28Å
169E55.8Low76.7Confident149 Ų14950.4 Ų50.470%0.69633%0.333SS*.  trans-77.597.5176.4-70.4170173.500109.8S166S166-E169 VanDerWaalsContact CB-OE2 3.27Å; S166-E169 WeakPolarHBondContact CB-OE2 3.29Å; S166-E169 WeakPolarHBondContact O-CB 3.32Å; S166-E169 PolarHBondContact O-N 3.03Å; S166-E169 PolarHBondContact OG-OE2 2.79Å
170G65.1Low77Confident40 Ų4050.4 Ų50.441%0.41233%0.333SS..SBendtrans141133.7169.500000113.3L168 Q172 V173L168-G170 PolarHBondContact O-N 3.04Å; L168-G170 VanDerWaalsContact O-N 3.12Å; G170-Q172 PolarHBondContact O-N 3.27Å; G170-Q172 VanDerWaalsContact O-N 3.07Å; G170-V173 PolarHBondContact O-N 3.01Å
171S70.1Confident77.2Confident64 Ų6453.4 Ų53.445%0.44834%0.344SS..Hα-helixtrans-54.3-28.9177-59.20000113.1V173 Y174 L175 E230S171-V173 PolarHBondContact O-N 2.93Å; S171-V173 VanDerWaalsContact O-N 3.14Å; S171-Y174 PolarHBondContact O-N 3.28Å; S171-Y174 VanDerWaalsContact O-N 3.08Å; S171-L175 VanDerWaalsContact O-CG 3.25Å; S171-L175 WeakPolarHBondContact O-CG 3.33Å; S171-L175 PolarHBondContact O-N 2.77Å; S171-L175 VanDerWaalsContact O-N 3.09Å; S171-E230 WeakPolarHBondContact CB-OE1 3.1Å
172Q76.4Confident77.5Confident95 Ų9555.3 Ų55.344%0.44434%0.342SS..Hα-helixtrans-58.4-31.1-179.1-61.8-47.6-38.900114.1G170 L175 A176 E480G170-Q172 PolarHBondContact O-N 3.27Å; G170-Q172 VanDerWaalsContact O-N 3.07Å; Q172-L175 PolarHBondContact O-N 2.79Å; Q172-A176 PolarHBondContact O-N 3.47Å; Q172-A176 VanDerWaalsContact O-N 3.09Å; Q172-E480 PolarHBondContact NE2-OE1 2.76Å; Q172-E480 PolarHBondContact OE1-OE1 2.71Å
173V82.3Confident78.1Confident35 Ų3553.3 Ų53.321%0.21233%0.327CS..Hα-helixtrans-68.6-38179.8-179.80000111.2L125 L128 L168 G170 S171L125-V173 HydrophobicContact CD2-CG1 3.86Å; L128-V173 HydrophobicContact CD2-CG1 3.87Å; L168-V173 HydrophobicContact CD2-CG1 4.28Å; G170-V173 PolarHBondContact O-N 3.01Å; S171-V173 PolarHBondContact O-N 2.93Å; S171-V173 VanDerWaalsContact O-N 3.14Å
174Y82.3Confident78.9Confident32 Ų3253.2 Ų53.213%0.12533%0.326CS..Hα-helixtrans-75.1-30.7177.4-63.6-87.1000112.6V123 P124 L125 S171 E230V123-Y174 HydrophobicContact CB-CE1 4.43Å; P124-Y174 HydrophobicContact CG-CD1 4.18Å; P124-Y174 HydrophobicContact CG-CE1 4.48Å; L125-Y174 HydrophobicContact CD2-CD1 3.85Å; L125-Y174 HydrophobicContact CD2-CE1 3.85Å; L125-Y174 HydrophobicContact CD2-CG 4.38Å; S171-Y174 PolarHBondContact O-N 3.28Å; S171-Y174 VanDerWaalsContact O-N 3.08Å; Y174-E230 HydrophobicContact CD1-CG 4.37Å; Y174-E230 HydrophobicContact CD2-CG 3.73Å; Y174-E230 HydrophobicContact CE2-CG 4.38Å; Y174-E230 HydrophobicContact CG-CB 4.46Å; Y174-E230 HydrophobicContact CG-CG 3.73Å
175L87.9Confident80Confident16 Ų1648.9 Ų48.98%0.08431%0.313CS..Hα-helixtrans-90.1-4.4-176-60.3177.1000113.6S171 Q172 G177 L178 I229S171-L175 VanDerWaalsContact O-CG 3.25Å; S171-L175 WeakPolarHBondContact O-CG 3.33Å; S171-L175 PolarHBondContact O-N 2.77Å; S171-L175 VanDerWaalsContact O-N 3.09Å; Q172-L175 PolarHBondContact O-N 2.79Å; L175-G177 PolarHBondContact O-N 2.73Å; L175-L178 WeakPolarHBondContact O-CB 3.45Å; L175-L178 PolarHBondContact O-N 2.71Å; L175-L178 VanDerWaalsContact O-N 3.1Å; L175-I229 HydrophobicContact CD2-CB 4.32Å; L175-I229 HydrophobicContact CD2-CG1 4.09Å
176A86.3Confident81.6Confident35 Ų3549.4 Ų49.429%0.28930%0.3SS..THydrogen-bonded Turntrans-53.4130.5179.400000111.6G127 Q172 L178G127-A176 VanDerWaalsContact CA-O 3.29Å; G127-A176 WeakPolarHBondContact CA-O 3.13Å; Q172-A176 PolarHBondContact O-N 3.47Å; Q172-A176 VanDerWaalsContact O-N 3.09Å; A176-L178 VanDerWaalsContact C-N 3.28Å; A176-L178 PolarHBondContact O-N 3.09Å
177G86Confident83.7Confident70 Ų7045.9 Ų45.972%0.72228%0.275SS*.THydrogen-bonded Turntrans77.92.5179.100000115.5L175L175-G177 PolarHBondContact O-N 2.73Å
178L93.1Very high85.7Confident4 Ų446.4 Ų46.42%0.02127%0.267CS..  trans-103.6114.6174.3-54.3-178000109.4L175 A176 P180 M219 I229 R483L175-L178 WeakPolarHBondContact O-CB 3.45Å; L175-L178 PolarHBondContact O-N 2.71Å; L175-L178 VanDerWaalsContact O-N 3.1Å; A176-L178 VanDerWaalsContact C-N 3.28Å; A176-L178 PolarHBondContact O-N 3.09Å; L178-P180 WeakPolarHBondContact O-CD 3.33Å; L178-M219 HydrophobicContact CD1-CB 4.23Å; L178-M219 HydrophobicContact CD2-CB 3.71Å; L178-I229 HydrophobicContact CD1-CD1 4.43Å; L178-I229 HydrophobicContact CD1-CG1 4.33Å; L178-R483 PolarHBondContact O-NH2 2.76Å
179S94.4Very high87.3Confident26 Ų2645.2 Ų45.218%0.18226%0.26CS..  trans-113.787.3-171.11740000112R181 D182 L183 T220 D479S179-R181 PolarHBondContact O-N 2.68Å; S179-D182 VanDerWaalsContact CB-OD2 3.32Å; S179-D182 WeakPolarHBondContact CB-OD2 3.4Å; S179-D182 PolarHBondContact O-N 2.81Å; S179-D182 WeakPolarHBondContact OG-CB 3.49Å; S179-D182 PolarHBondContact OG-N 3.49Å; S179-D182 VanDerWaalsContact OG-N 3.16Å; S179-D182 PolarHBondContact OG-OD2 2.96Å; S179-L183 PolarHBondContact O-N 3.13Å; S179-L183 VanDerWaalsContact O-N 3.11Å; S179-T220 WeakPolarHBondContact O-CG2 3.21Å; S179-D479 WeakPolarHBondContact CA-OD1 3.49Å
180P95.8Very high89.2Confident0 Ų039.3 Ų39.30%023%0.232CC..Hα-helixtrans-51.3-30.3168.8-31.235.9000113.3L178 L183 I184 T220 L224 D479 I482 R483L178-P180 WeakPolarHBondContact O-CD 3.33Å; P180-L183 WeakPolarHBondContact O-CB 3.48Å; P180-L183 PolarHBondContact O-N 3.13Å; P180-I184 VanDerWaalsContact O-CG1 3.25Å; P180-I184 WeakPolarHBondContact O-CG1 3.43Å; P180-I184 PolarHBondContact O-N 3.1Å; P180-T220 HydrophobicContact CB-CG2 4.48Å; P180-T220 HydrophobicContact CG-CG2 4.11Å; P180-T220 VanDerWaalsContact N-CG2 3.31Å; P180-L224 HydrophobicContact CB-CD2 3.9Å; P180-L224 HydrophobicContact CG-CD2 4.07Å; P180-D479 VanDerWaalsContact CD-OD1 3.27Å; P180-D479 WeakPolarHBondContact CD-OD1 3.47Å; P180-I482 HydrophobicContact CB-CB 3.97Å; P180-I482 HydrophobicContact CB-CD1 4.08Å; P180-I482 HydrophobicContact CB-CG2 3.66Å; P180-R483 HydrophobicContact CG-CG 4.07Å
181R95.2Very high90.8Very high68 Ų6837.5 Ų37.526%0.25721%0.213SC..Hα-helixtrans-61.9-50.2176.6-173.5-178.7177.1-84.90.7111.8S179 L183 I184 L185 V461 G477 D479 I482S179-R181 PolarHBondContact O-N 2.68Å; R181-L183 VanDerWaalsContact C-N 3.26Å; R181-L183 PolarHBondContact O-N 3.1Å; R181-I184 PolarHBondContact O-N 3.48Å; R181-L185 WeakPolarHBondContact O-CG 3.41Å; R181-L185 PolarHBondContact O-N 3.43Å; R181-V461 HydrophobicContact CG-CG1 3.62Å; R181-V461 HydrophobicContact CG-CG2 4.36Å; R181-G477 WeakPolarHBondContact CD-O 3.36Å; R181-D479 WeakPolarHBondContact CB-OD1 3.36Å; R181-D479 PolarHBondContact N-OD1 3.41Å; R181-I482 VanDerWaalsContact CA-CD1 3.45Å; R181-I482 HydrophobicContact CB-CD1 3.93Å
182D94.4Very high92.1Very high91 Ų9134.5 Ų34.549%0.48719%0.192SC..Hα-helixtrans-66.2-35.1177.9-64-33000111S179 L185 H186S179-D182 VanDerWaalsContact CB-OD2 3.32Å; S179-D182 WeakPolarHBondContact CB-OD2 3.4Å; S179-D182 PolarHBondContact O-N 2.81Å; S179-D182 WeakPolarHBondContact OG-CB 3.49Å; S179-D182 PolarHBondContact OG-N 3.49Å; S179-D182 VanDerWaalsContact OG-N 3.16Å; S179-D182 PolarHBondContact OG-OD2 2.96Å; D182-L185 PolarHBondContact O-N 3.5Å; D182-H186 VanDerWaalsContact O-CB 3.28Å; D182-H186 WeakPolarHBondContact O-CB 3.29Å; D182-H186 PolarHBondContact O-N 3.32Å
183L96.5Very high93.2Very high10 Ų1031 Ų315%0.05218%0.176CC..Hα-helixtrans-61-45173.4-171.875.6000111.9S179 P180 R181 H186 F187 V191 T220 V221 L224S179-L183 PolarHBondContact O-N 3.13Å; S179-L183 VanDerWaalsContact O-N 3.11Å; P180-L183 WeakPolarHBondContact O-CB 3.48Å; P180-L183 PolarHBondContact O-N 3.13Å; R181-L183 VanDerWaalsContact C-N 3.26Å; R181-L183 PolarHBondContact O-N 3.1Å; L183-H186 PolarHBondContact O-N 2.96Å; L183-F187 HydrophobicContact CD1-CD2 3.59Å; L183-F187 HydrophobicContact CD1-CE2 3.8Å; L183-F187 HydrophobicContact CG-CD2 4.31Å; L183-F187 WeakPolarHBondContact O-CB 3.11Å; L183-F187 PolarHBondContact O-N 3.44Å; L183-V191 HydrophobicContact CD2-CG1 3.88Å; L183-V191 HydrophobicContact CD2-CG2 4.17Å; L183-V191 HydrophobicContact CG-CG2 3.91Å; L183-T220 HydrophobicContact CB-CG2 3.93Å; L183-T220 HydrophobicContact CD2-CG2 3.99Å; L183-T220 HydrophobicContact CG-CG2 4.45Å; L183-V221 HydrophobicContact CD1-CG2 3.95Å; L183-V221 HydrophobicContact CD2-CB 4.41Å; L183-V221 HydrophobicContact CD2-CG2 3.61Å; L183-V221 HydrophobicContact CG-CG2 4.42Å; L183-L224 HydrophobicContact CD2-CD1 4.21Å
184I96.1Very high94Very high5 Ų529.4 Ų29.43%0.02617%0.166CC..Hα-helixtrans-67-41.3177.2-69.1-74.1000111.2P180 R181 H186 Q188 V191 L457 V458 V461 I482 F486P180-I184 VanDerWaalsContact O-CG1 3.25Å; P180-I184 WeakPolarHBondContact O-CG1 3.43Å; P180-I184 PolarHBondContact O-N 3.1Å; R181-I184 PolarHBondContact O-N 3.48Å; I184-H186 PolarHBondContact O-N 2.94Å; I184-Q188 WeakPolarHBondContact O-CA 3.33Å; I184-Q188 PolarHBondContact O-N 2.96Å; I184-V191 HydrophobicContact CD1-CB 3.8Å; I184-V191 HydrophobicContact CD1-CG1 3.97Å; I184-V191 HydrophobicContact CD1-CG2 3.77Å; I184-V191 HydrophobicContact CG1-CG2 4.42Å; I184-L457 HydrophobicContact CD1-CB 4.36Å; I184-L457 HydrophobicContact CD1-CD1 4Å; I184-L457 HydrophobicContact CG2-CB 4.49Å; I184-V458 HydrophobicContact CG2-CG2 3.94Å; I184-V461 HydrophobicContact CB-CG2 4.46Å; I184-V461 HydrophobicContact CG2-CB 4.2Å; I184-V461 HydrophobicContact CG2-CG1 4.4Å; I184-V461 HydrophobicContact CG2-CG2 4.03Å; I184-I482 HydrophobicContact CG1-CD1 4.27Å; I184-I482 HydrophobicContact CG1-CG2 4.28Å; I184-F486 HydrophobicContact CD1-CE2 4.47Å
185L94.1Very high94.7Very high48 Ų4827.9 Ų27.925%0.25116%0.16SC..Hα-helixtrans-59.2-37.3174.6-76.4171.8000112R181 D182 V461 T462R181-L185 WeakPolarHBondContact O-CG 3.41Å; R181-L185 PolarHBondContact O-N 3.43Å; D182-L185 PolarHBondContact O-N 3.5Å; L185-V461 HydrophobicContact CD1-CG1 4.14Å; L185-V461 HydrophobicContact CD2-CG1 3.64Å; L185-V461 HydrophobicContact CG-CG1 3.5Å; L185-V461 VanDerWaalsContact CG-CG1 3.5Å; L185-T462 HydrophobicContact CD2-CG2 4Å
186H95.6Very high95.2Very high69 Ų6927.2 Ų27.232%0.31916%0.157SC..Hα-helixtrans-84.4-48.5-175.1-166.162.8000113.4D182 L183 I184 V428 E429 A431D182-H186 VanDerWaalsContact O-CB 3.28Å; D182-H186 WeakPolarHBondContact O-CB 3.29Å; D182-H186 PolarHBondContact O-N 3.32Å; L183-H186 PolarHBondContact O-N 2.96Å; I184-H186 PolarHBondContact O-N 2.94Å; H186-V428 PolarHBondContact CD2-O 3.06Å; H186-V428 PolarHBondContact NE2-O 3.12Å; H186-E429 PolarHBondContact CE1-O 3.32Å; H186-E429 PolarHBondContact NE2-O 3.5Å; H186-A431 VanDerWaalsContact O-CB 3.3Å; H186-A431 WeakPolarHBondContact O-CB 3.38Å
187F96.5Very high95.8Very high5 Ų525.6 Ų25.62%0.02214%0.143CC..Hα-helixtrans-95.1-14.6-175.9-78.5-91.7000114.4L183 H189 K190 V191 L194 V426 V428 A431L183-F187 HydrophobicContact CD1-CD2 3.59Å; L183-F187 HydrophobicContact CD1-CE2 3.8Å; L183-F187 HydrophobicContact CG-CD2 4.31Å; L183-F187 WeakPolarHBondContact O-CB 3.11Å; L183-F187 PolarHBondContact O-N 3.44Å; F187-H189 PolarHBondContact O-N 3.32Å; F187-K190 HydrophobicContact CB-CB 4.33Å; F187-K190 HydrophobicContact CD1-CB 4.36Å; F187-K190 WeakPolarHBondContact O-CB 3.26Å; F187-K190 WeakPolarHBondContact O-CG 3.44Å; F187-K190 PolarHBondContact O-N 3.4Å; F187-V191 HydrophobicContact CB-CG2 3.5Å; F187-V191 VanDerWaalsContact CB-CG2 3.5Å; F187-L194 HydrophobicContact CD1-CD1 4Å; F187-L194 HydrophobicContact CE1-CD1 4Å; F187-L194 HydrophobicContact CG-CD1 4.38Å; F187-L194 HydrophobicContact CZ-CD1 4.37Å; F187-V426 HydrophobicContact CE1-CG1 3.69Å; F187-V426 HydrophobicContact CZ-CG1 3.83Å; F187-V428 HydrophobicContact CE2-CG1 4.13Å; F187-V428 HydrophobicContact CZ-CB 4.45Å; F187-V428 HydrophobicContact CZ-CG1 4.14Å; F187-A431 HydrophobicContact CD1-CB 3.86Å; F187-A431 HydrophobicContact CE1-CB 4.14Å; F187-A431 HydrophobicContact CG-CB 4.14Å
188Q95.5Very high96.4Very high72 Ų7222.3 Ų22.334%0.33611%0.109SC..THydrogen-bonded Turntrans52.7-132.1-177.8-56177.95.700111.1I184 K190 V191 V458I184-Q188 WeakPolarHBondContact O-CA 3.33Å; I184-Q188 PolarHBondContact O-N 2.96Å; Q188-K190 PolarHBondContact O-N 2.74Å; Q188-K190 VanDerWaalsContact O-N 3.11Å; Q188-V191 WeakPolarHBondContact O-CG2 3.25Å; Q188-V191 PolarHBondContact O-N 2.75Å; Q188-V458 HydrophobicContact CB-CG2 4.14Å
189H93.6Very high96.6Very high15 Ų1522.1 Ų22.17%0.06911%0.108CC..THydrogen-bonded Turntrans-61.7-18.9178.359.6-86.8000114.5F187 V191 L192 L446 A454 H558 Q561 N562F187-H189 PolarHBondContact O-N 3.32Å; H189-V191 PolarHBondContact O-N 3.39Å; H189-L192 PolarHBondContact O-N 3.48Å; H189-L446 HydrophobicContact CB-CD1 4.32Å; H189-A454 HydrophobicContact CB-CB 3.7Å; H189-H558 AromaticContact CD2-CD2 3.08Å; H189-H558 PolarHBondContact CD2-CD2 3.43Å; H189-H558 AromaticContact CD2-NE2 3.15Å; H189-H558 PolarHBondContact CD2-NE2 3.3Å; H189-H558 AromaticContact CE1-CD2 3.61Å; H189-H558 AromaticContact CG-CD2 3.59Å; H189-H558 AromaticContact ND1-CD2 3.92Å; H189-H558 AromaticContact NE2-CD2 3.1Å; H189-H558 PolarHBondContact NE2-CD2 3.27Å; H189-H558 AromaticContact NE2-NE2 3.32Å; H189-H558 PolarHBondContact NE2-NE2 3.08Å; H189-Q561 PolarHBondContact CE1-OE1 2.98Å; H189-N562 PolarHBondContact NE2-ND2 3.4Å; H189-N562 PolarHBondContact NE2-OD1 2.96Å; H189-N562 VanDerWaalsContact NE2-OD1 3.13Å
190K96.8Very high96.8Very high26 Ų2621.4 Ų21.411%0.11310%0.102CC..Hα-helixtrans-68.9-16.2-178.6-56179.7-171.9171.80112.5F187 Q188 L192 I193 L194 A431 I433 N562F187-K190 HydrophobicContact CB-CB 4.33Å; F187-K190 HydrophobicContact CD1-CB 4.36Å; F187-K190 WeakPolarHBondContact O-CB 3.26Å; F187-K190 WeakPolarHBondContact O-CG 3.44Å; F187-K190 PolarHBondContact O-N 3.4Å; Q188-K190 PolarHBondContact O-N 2.74Å; Q188-K190 VanDerWaalsContact O-N 3.11Å; K190-L192 PolarHBondContact O-N 2.97Å; K190-I193 HydrophobicContact CB-CD1 4.47Å; K190-I193 HydrophobicContact CG-CD1 4.37Å; K190-I193 WeakPolarHBondContact O-CB 3.43Å; K190-I193 PolarHBondContact O-N 3.34Å; K190-I193 VanDerWaalsContact O-N 3.08Å; K190-L194 PolarHBondContact O-N 3.44Å; K190-A431 VanDerWaalsContact CD-O 3.24Å; K190-A431 WeakPolarHBondContact CD-O 3.35Å; K190-A431 PolarHBondContact NZ-O 3.28Å; K190-I433 HydrophobicContact CB-CD1 3.84Å; K190-N562 WeakPolarHBondContact CE-OD1 3.47Å
191V98.3Very high96.9Very high1 Ų122 Ų221%0.00611%0.105CC..Hα-helixtrans-57.9-39.4171.9179.70000111L183 I184 F187 Q188 H189 I193 L194 F195 L224 F486L183-V191 HydrophobicContact CD2-CG1 3.88Å; L183-V191 HydrophobicContact CD2-CG2 4.17Å; L183-V191 HydrophobicContact CG-CG2 3.91Å; I184-V191 HydrophobicContact CD1-CB 3.8Å; I184-V191 HydrophobicContact CD1-CG1 3.97Å; I184-V191 HydrophobicContact CD1-CG2 3.77Å; I184-V191 HydrophobicContact CG1-CG2 4.42Å; F187-V191 HydrophobicContact CB-CG2 3.5Å; F187-V191 VanDerWaalsContact CB-CG2 3.5Å; Q188-V191 WeakPolarHBondContact O-CG2 3.25Å; Q188-V191 PolarHBondContact O-N 2.75Å; H189-V191 PolarHBondContact O-N 3.39Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 PolarHBondContact O-N 2.92Å; V191-L194 PolarHBondContact O-N 3.25Å; V191-F195 WeakPolarHBondContact O-CB 3.35Å; V191-F195 PolarHBondContact O-N 2.91Å; V191-L224 HydrophobicContact CG1-CD1 3.43Å; V191-L224 VanDerWaalsContact CG1-CD1 3.43Å; V191-F486 HydrophobicContact CG1-CE2 4.34Å; V191-F486 HydrophobicContact CG1-CZ 3.78Å
192L98.2Very high97Very high2 Ų221.8 Ų21.81%0.0111%0.106CC..Hα-helixtrans-68.3-32.4176.4-175.259.7000112.2H189 K190 F195 K196 L446 D450 F453 F486 Y489H189-L192 PolarHBondContact O-N 3.48Å; K190-L192 PolarHBondContact O-N 2.97Å; L192-F195 HydrophobicContact CD1-CD1 4.42Å; L192-F195 PolarHBondContact O-N 3.37Å; L192-K196 WeakPolarHBondContact O-CB 3.38Å; L192-K196 WeakPolarHBondContact O-CG 3.35Å; L192-K196 PolarHBondContact O-N 3.09Å; L192-L446 HydrophobicContact CB-CD2 4.33Å; L192-L446 HydrophobicContact CD2-CD2 3.93Å; L192-L446 HydrophobicContact CG-CD2 3.97Å; L192-D450 HydrophobicContact CD2-CB 3.57Å; L192-F453 HydrophobicContact CD1-CD1 4.5Å; L192-F453 HydrophobicContact CD1-CE1 4.37Å; L192-F453 HydrophobicContact CD2-CD1 4.11Å; L192-F486 HydrophobicContact CD1-CE1 4.18Å; L192-Y489 HydrophobicContact CD1-CE1 4.22Å; L192-Y489 HydrophobicContact CD1-CE2 4.13Å; L192-Y489 HydrophobicContact CD2-CE2 4.38Å
193I98.3Very high97.1Very high22 Ų2220.1 Ų20.111%0.1139%0.094CC..Hα-helixtrans-64.1-45.5173-58175.3000110K190 V191 K196 L197 I433 L444 L446K190-I193 HydrophobicContact CB-CD1 4.47Å; K190-I193 HydrophobicContact CG-CD1 4.37Å; K190-I193 WeakPolarHBondContact O-CB 3.43Å; K190-I193 PolarHBondContact O-N 3.34Å; K190-I193 VanDerWaalsContact O-N 3.08Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 PolarHBondContact O-N 2.92Å; I193-K196 PolarHBondContact O-N 3.15Å; I193-L197 WeakPolarHBondContact O-CB 3.45Å; I193-L197 PolarHBondContact O-N 3.46Å; I193-I433 HydrophobicContact CB-CD1 4.01Å; I193-I433 HydrophobicContact CG2-CD1 3.92Å; I193-L444 HydrophobicContact CG2-CB 4.4Å; I193-L446 HydrophobicContact CD1-CD1 4.4Å; I193-L446 HydrophobicContact CD1-CG 4.44Å; I193-L446 HydrophobicContact CG1-CD1 3.99Å; I193-L446 HydrophobicContact CG1-CD2 3.9Å; I193-L446 HydrophobicContact CG1-CG 3.91Å
194L98.4Very high97.1Very high1 Ų119.6 Ų19.61%0.0059%0.091CC..Hα-helixtrans-61.1-44175.8-65.4175.9000111.7F187 K190 V191 L197 I198 F206 V221 V426 I433F187-L194 HydrophobicContact CD1-CD1 4Å; F187-L194 HydrophobicContact CE1-CD1 4Å; F187-L194 HydrophobicContact CG-CD1 4.38Å; F187-L194 HydrophobicContact CZ-CD1 4.37Å; K190-L194 PolarHBondContact O-N 3.44Å; V191-L194 PolarHBondContact O-N 3.25Å; L194-L197 PolarHBondContact O-N 3.36Å; L194-I198 WeakPolarHBondContact O-CG1 3.44Å; L194-I198 PolarHBondContact O-N 3.48Å; L194-F206 HydrophobicContact CD1-CE1 4.44Å; L194-F206 HydrophobicContact CD1-CZ 4.48Å; L194-F206 HydrophobicContact CD2-CZ 4.27Å; L194-V221 HydrophobicContact CB-CG1 4.1Å; L194-V221 HydrophobicContact CD1-CG2 3.96Å; L194-V426 HydrophobicContact CD1-CG1 4.5Å; L194-V426 HydrophobicContact CD2-CB 4.42Å; L194-V426 HydrophobicContact CD2-CG1 4.02Å; L194-V426 HydrophobicContact CD2-CG2 3.48Å; L194-V426 VanDerWaalsContact CD2-CG2 3.48Å; L194-I433 HydrophobicContact CD2-CD1 3.55Å; L194-I433 HydrophobicContact CD2-CG1 3.98Å; L194-I433 HydrophobicContact CG-CD1 3.73Å
195F98.6Very high97.2Very high0 Ų019.4 Ų19.40%09%0.09CC..Hα-helixtrans-58.3-51.1176.5-174.1-90.9000111.4V191 L192 L197 I198 L199 L224 F225 F486 Y489 L490V191-F195 WeakPolarHBondContact O-CB 3.35Å; V191-F195 PolarHBondContact O-N 2.91Å; L192-F195 HydrophobicContact CD1-CD1 4.42Å; L192-F195 PolarHBondContact O-N 3.37Å; F195-L197 PolarHBondContact O-N 3.01Å; F195-I198 PolarHBondContact O-N 3.23Å; F195-L199 PolarHBondContact O-N 2.98Å; F195-L224 HydrophobicContact CD2-CB 3.93Å; F195-L224 HydrophobicContact CE2-CB 4.1Å; F195-F225 HydrophobicContact CD1-CE1 4.44Å; F195-F225 HydrophobicContact CD1-CZ 4.44Å; F195-F225 HydrophobicContact CD2-CD1 4.28Å; F195-F225 HydrophobicContact CD2-CD2 4.16Å; F195-F225 AromaticContact CD2-CE1 3.81Å; F195-F225 HydrophobicContact CD2-CE1 3.81Å; F195-F225 AromaticContact CD2-CE2 3.68Å; F195-F225 HydrophobicContact CD2-CE2 3.68Å; F195-F225 HydrophobicContact CD2-CG 4.45Å; F195-F225 AromaticContact CD2-CZ 3.49Å; F195-F225 HydrophobicContact CD2-CZ 3.49Å; F195-F225 VanDerWaalsContact CD2-CZ 3.49Å; F195-F225 HydrophobicContact CE1-CE1 4.08Å; F195-F225 AromaticContact CE2-CD1 3.52Å; F195-F225 HydrophobicContact CE2-CD1 3.52Å; F195-F225 AromaticContact CE2-CD2 3.97Å; F195-F225 HydrophobicContact CE2-CD2 3.97Å; F195-F225 AromaticContact CE2-CE1 3.4Å; F195-F225 HydrophobicContact CE2-CE1 3.4Å; F195-F225 VanDerWaalsContact CE2-CE1 3.4Å; F195-F225 AromaticContact CE2-CE2 3.87Å; F195-F225 HydrophobicContact CE2-CE2 3.87Å; F195-F225 AromaticContact CE2-CG 3.81Å; F195-F225 HydrophobicContact CE2-CG 3.81Å; F195-F225 AromaticContact CE2-CZ 3.6Å; F195-F225 HydrophobicContact CE2-CZ 3.6Å; F195-F225 HydrophobicContact CG-CE1 4.31Å; F195-F225 HydrophobicContact CG-CE2 4.46Å; F195-F225 AromaticContact CG-CZ 3.95Å; F195-F225 HydrophobicContact CG-CZ 3.95Å; F195-F225 AromaticContact CZ-CD1 3.75Å; F195-F225 HydrophobicContact CZ-CD1 3.75Å; F195-F225 AromaticContact CZ-CE1 3.56Å; F195-F225 HydrophobicContact CZ-CE1 3.56Å; F195-F225 HydrophobicContact CZ-CG 4.46Å; F195-F225 HydrophobicContact CZ-CZ 4.13Å; F195-F225 WeakPolarHBondContact O-CZ 3.4Å; F195-F486 HydrophobicContact CB-CE1 4.02Å; F195-F486 HydrophobicContact CD1-CD1 4.37Å; F195-F486 HydrophobicContact CD1-CE1 4.48Å; F195-F486 AromaticContact CD2-CD1 3.64Å; F195-F486 HydrophobicContact CD2-CD1 3.64Å; F195-F486 AromaticContact CD2-CE1 3.94Å; F195-F486 HydrophobicContact CD2-CE1 3.94Å; F195-F486 AromaticContact CE2-CD1 3.82Å; F195-F486 HydrophobicContact CE2-CD1 3.82Å; F195-F486 AromaticContact CG-CD1 3.94Å; F195-F486 HydrophobicContact CG-CD1 3.94Å; F195-F486 AromaticContact CG-CE1 3.89Å; F195-F486 HydrophobicContact CG-CE1 3.89Å; F195-F486 HydrophobicContact CZ-CD1 4.27Å; F195-Y489 HydrophobicContact CE1-CD1 4.37Å; F195-L490 HydrophobicContact CZ-CB 4.42Å; F195-L490 HydrophobicContact CZ-CD1 4.46Å
196K98.5Very high97.4Very high2 Ų217.1 Ų17.11%0.0098%0.078CC..Hα-helixtrans-62.5-40.9177-74-168.3177-169.70112.6L192 I193 I198 L199 L200 L444 L446 D450 Y489 Y509 F513L192-K196 WeakPolarHBondContact O-CB 3.38Å; L192-K196 WeakPolarHBondContact O-CG 3.35Å; L192-K196 PolarHBondContact O-N 3.09Å; I193-K196 PolarHBondContact O-N 3.15Å; K196-I198 VanDerWaalsContact C-N 3.33Å; K196-I198 PolarHBondContact O-N 3.45Å; K196-L199 PolarHBondContact O-N 3.44Å; K196-L200 WeakPolarHBondContact O-CG 3.35Å; K196-L200 PolarHBondContact O-N 2.97Å; K196-L444 HydrophobicContact CB-CD2 3.7Å; K196-L446 HydrophobicContact CD-CD2 4.48Å; K196-D450 WeakPolarHBondContact CE-OD1 3.46Å; K196-D450 IonicContact NZ-OD1 3.47Å; K196-D450 PolarHBondContact NZ-OD1 3.48Å; K196-D450 IonicContact NZ-OD2 3.29Å; K196-D450 PolarHBondContact NZ-OD2 2.99Å; K196-Y489 WeakPolarHBondContact CE-OH 3.2Å; K196-Y489 PolarHBondContact NZ-OH 2.92Å; K196-Y509 PolarHBondContact NZ-O 3.39Å; K196-F513 HydrophobicContact CB-CD2 4.15Å; K196-F513 HydrophobicContact CB-CE2 3.55Å; K196-F513 HydrophobicContact CB-CZ 4.07Å; K196-F513 HydrophobicContact CD-CD1 4.28Å; K196-F513 HydrophobicContact CD-CD2 3.93Å; K196-F513 HydrophobicContact CD-CE1 4.18Å; K196-F513 HydrophobicContact CD-CE2 3.83Å; K196-F513 HydrophobicContact CD-CG 4.15Å; K196-F513 HydrophobicContact CD-CZ 3.94Å; K196-F513 HydrophobicContact CG-CD2 4.25Å; K196-F513 HydrophobicContact CG-CE1 4.35Å; K196-F513 HydrophobicContact CG-CE2 3.65Å; K196-F513 HydrophobicContact CG-CZ 3.69Å
197L97.8Very high97.4Very high0 Ų015.6 Ų15.60%07%0.07CC..Hα-helixtrans-61.4-40.2179.4-179.572.1000112.2I193 L194 F195 L200 K202 V204 A424 L440 L444I193-L197 WeakPolarHBondContact O-CB 3.45Å; I193-L197 PolarHBondContact O-N 3.46Å; L194-L197 PolarHBondContact O-N 3.36Å; F195-L197 PolarHBondContact O-N 3.01Å; L197-L200 PolarHBondContact O-N 3.45Å; L197-K202 HydrophobicContact CD1-CB 3.79Å; L197-K202 HydrophobicContact CD1-CG 3.97Å; L197-K202 HydrophobicContact CG-CB 4.38Å; L197-V204 HydrophobicContact CD1-CG2 4.34Å; L197-V204 HydrophobicContact CD2-CB 4.3Å; L197-V204 HydrophobicContact CD2-CG1 3.78Å; L197-V204 HydrophobicContact CD2-CG2 3.5Å; L197-V204 HydrophobicContact CG-CG2 3.55Å; L197-A424 HydrophobicContact CD1-CB 4.1Å; L197-A424 HydrophobicContact CD2-CB 3.59Å; L197-A424 HydrophobicContact CG-CB 4.45Å; L197-L440 HydrophobicContact CD1-CD2 4.22Å; L197-L444 HydrophobicContact CB-CD1 4.28Å; L197-L444 HydrophobicContact CB-CD2 4.2Å; L197-L444 HydrophobicContact CD1-CD1 3.53Å; L197-L444 HydrophobicContact CG-CD1 4.46Å
198I98.3Very high97.4Very high1 Ų115.6 Ų15.61%0.0057%0.071CC..Hα-helixtrans-72-38.3175.5-67.3165.5000111.1L194 F195 K196 L200 E201 V221 L222 F225 I379 F380 V407L194-I198 WeakPolarHBondContact O-CG1 3.44Å; L194-I198 PolarHBondContact O-N 3.48Å; F195-I198 PolarHBondContact O-N 3.23Å; K196-I198 VanDerWaalsContact C-N 3.33Å; K196-I198 PolarHBondContact O-N 3.45Å; I198-L200 PolarHBondContact O-N 2.79Å; I198-E201 WeakPolarHBondContact O-CA 3.35Å; I198-E201 PolarHBondContact O-N 3.44Å; I198-V221 HydrophobicContact CD1-CB 4.49Å; I198-V221 HydrophobicContact CD1-CG1 3.4Å; I198-V221 VanDerWaalsContact CD1-CG1 3.4Å; I198-L222 HydrophobicContact CD1-CD2 3.91Å; I198-L222 HydrophobicContact CG2-CD2 4.3Å; I198-F225 HydrophobicContact CB-CE2 4.19Å; I198-F225 HydrophobicContact CB-CZ 3.92Å; I198-F225 HydrophobicContact CD1-CE2 4.43Å; I198-F225 HydrophobicContact CG2-CE2 3.86Å; I198-F225 HydrophobicContact CG2-CZ 3.75Å; I198-I379 HydrophobicContact CG2-CG2 4.18Å; I198-F380 HydrophobicContact CG2-CZ 4.45Å; I198-V407 HydrophobicContact CG1-CG2 3.96Å; I198-V407 HydrophobicContact CG2-CG2 4.4Å
199L98Very high97.2Very high1 Ų114.5 Ų14.51%0.0057%0.071CC..Hα-helixtrans-62.1-30.3175.4-157.377.3000112.5F195 K196 E201 F225 L377 I379 L490 L493 F513 W517 N522F195-L199 PolarHBondContact O-N 2.98Å; K196-L199 PolarHBondContact O-N 3.44Å; L199-E201 VanDerWaalsContact C-N 3.25Å; L199-E201 PolarHBondContact O-N 2.99Å; L199-F225 HydrophobicContact CB-CE1 4.46Å; L199-F225 HydrophobicContact CD1-CD1 4.41Å; L199-F225 HydrophobicContact CD1-CE1 3.75Å; L199-L377 HydrophobicContact CD1-CD1 3.68Å; L199-I379 HydrophobicContact CD1-CD1 4.16Å; L199-L490 HydrophobicContact CD1-CD1 4.26Å; L199-L493 HydrophobicContact CD2-CD2 4.01Å; L199-F513 HydrophobicContact CD2-CZ 3.8Å; L199-W517 HydrophobicContact CD2-CD2 4.29Å; L199-W517 HydrophobicContact CD2-CG 4.11Å; L199-N522 PolarHBondContact O-ND2 3.02Å
200L98.3Very high97.1Very high10 Ų1015.4 Ų15.45%0.0528%0.078CC..THydrogen-bonded Turntrans-78.2-2172.5-68.3-178.3000114.3K196 L197 I198 K202 L440 I443 L444 F513 A516 W517 T520K196-L200 WeakPolarHBondContact O-CG 3.35Å; K196-L200 PolarHBondContact O-N 2.97Å; L197-L200 PolarHBondContact O-N 3.45Å; I198-L200 PolarHBondContact O-N 2.79Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 HydrophobicContact CB-CG 3.88Å; L200-K202 PolarHBondContact O-N 3.22Å; L200-L440 HydrophobicContact CD1-CD1 4.14Å; L200-I443 HydrophobicContact CD1-CG2 3.68Å; L200-L444 HydrophobicContact CD1-CD2 3.86Å; L200-L444 HydrophobicContact CD1-CG 4.29Å; L200-F513 HydrophobicContact CD1-CD2 4.14Å; L200-F513 HydrophobicContact CD1-CE2 4.35Å; L200-F513 HydrophobicContact CD2-CD2 4.02Å; L200-F513 HydrophobicContact CD2-CE2 3.94Å; L200-F513 HydrophobicContact CG-CD2 4.12Å; L200-F513 HydrophobicContact CG-CE2 3.9Å; L200-A516 HydrophobicContact CD2-CB 3.77Å; L200-W517 HydrophobicContact CD2-CB 3.92Å; L200-T520 HydrophobicContact CD2-CG2 4.48Å
201E97.4Very high97.1Very high13 Ų1314.3 Ų14.36%0.0617%0.073CC..THydrogen-bonded Turntrans56.639.4177.3-52.8171.4152.100113.4I198 L199 Y384 R404 T520 H521 N522I198-E201 WeakPolarHBondContact O-CA 3.35Å; I198-E201 PolarHBondContact O-N 3.44Å; L199-E201 VanDerWaalsContact C-N 3.25Å; L199-E201 PolarHBondContact O-N 2.99Å; E201-Y384 VanDerWaalsContact CA-CZ 3.46Å; E201-Y384 WeakPolarHBondContact CA-OH 3.44Å; E201-Y384 HydrophobicContact CB-CD2 4.1Å; E201-Y384 HydrophobicContact CB-CE1 4.37Å; E201-Y384 HydrophobicContact CB-CE2 3.97Å; E201-Y384 HydrophobicContact CB-CG 4.4Å; E201-Y384 WeakPolarHBondContact O-CE2 3.49Å; E201-R404 VanDerWaalsContact CB-NH1 3.34Å; E201-R404 IonicContact OE1-NH1 3.98Å; E201-R404 IonicContact OE1-NH2 3.31Å; E201-R404 PolarHBondContact OE1-NH2 3.05Å; E201-R404 IonicContact OE2-CZ 3.63Å; E201-R404 VanDerWaalsContact OE2-CZ 3.31Å; E201-R404 IonicContact OE2-NH1 2.64Å; E201-R404 PolarHBondContact OE2-NH1 3.02Å; E201-R404 IonicContact OE2-NH2 3.74Å; E201-R404 PolarHBondContact OE2-NH2 2.79Å; E201-T520 WeakPolarHBondContact OE2-CB 3.36Å; E201-H521 WeakPolarHBondContact OE2-CB 3.21Å; E201-H521 PolarHBondContact OE2-N 3.26Å; E201-N522 WeakPolarHBondContact CG-ND2 3.26Å; E201-N522 VanDerWaalsContact OE1-CB 3.31Å; E201-N522 WeakPolarHBondContact OE1-CB 3.34Å; E201-N522 PolarHBondContact OE1-N 3.11Å; E201-N522 PolarHBondContact OE1-ND2 2.73Å
202K97Very high97Very high64 Ų6416.4 Ų16.428%0.2789%0.085SC..  trans-81.6162.5-179.5-64.3-62.8178.6177.30112.6L197 L200 V204 Y384 F406 D423 L440L197-K202 HydrophobicContact CD1-CB 3.79Å; L197-K202 HydrophobicContact CD1-CG 3.97Å; L197-K202 HydrophobicContact CG-CB 4.38Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 HydrophobicContact CB-CG 3.88Å; L200-K202 PolarHBondContact O-N 3.22Å; K202-V204 HydrophobicContact CB-CG2 4.38Å; K202-V204 WeakPolarHBondContact O-CG2 3.26Å; K202-V204 PolarHBondContact O-N 2.78Å; K202-V204 VanDerWaalsContact O-N 3.15Å; K202-Y384 PolarHBondContact N-OH 2.97Å; K202-Y384 WeakPolarHBondContact O-CE2 3.49Å; K202-Y384 PolarHBondContact O-OH 3.36Å; K202-F406 VanDerWaalsContact O-O 3.09Å; K202-D423 HydrophobicContact CB-CB 4.14Å; K202-L440 HydrophobicContact CD-CD1 4.31Å; K202-L440 HydrophobicContact CD-CD2 4.23Å; K202-L440 HydrophobicContact CG-CD1 4.21Å; K202-L440 HydrophobicContact CG-CD2 4.2Å
203K97.1Very high96.8Very high55 Ų5521.1 Ų21.124%0.23910%0.102CC..  trans-76.697.2173.5-67.8179.6178.8-169.80110.2F406 D423 A424K203-F406 WeakPolarHBondContact CA-O 3.47Å; K203-F406 HydrophobicContact CB-CD1 4.34Å; K203-F406 HydrophobicContact CB-CE1 3.79Å; K203-F406 HydrophobicContact CB-CE2 4.17Å; K203-F406 HydrophobicContact CB-CZ 3.67Å; K203-F406 HydrophobicContact CD-CD1 4.44Å; K203-F406 HydrophobicContact CD-CE1 3.78Å; K203-F406 HydrophobicContact CD-CZ 4.34Å; K203-F406 HydrophobicContact CG-CD1 4.01Å; K203-F406 HydrophobicContact CG-CE1 3.67Å; K203-F406 HydrophobicContact CG-CZ 4.11Å; K203-D423 HydrophobicContact CB-CB 4.38Å; K203-D423 PolarHBondContact N-OD2 3.19Å; K203-D423 PolarHBondContact O-N 3.28Å; K203-A424 PolarHBondContact O-N 2.93Å; K203-A424 VanDerWaalsContact O-N 3.13Å
204V97.8Very high96.8Very high0 Ų020 Ų200%010%0.097CC..EExtended strand (participates in β ladder)trans-108.9122-175.7-168.30000110.8L197 K202 F206 F406 V407 A408 V426L197-V204 HydrophobicContact CD1-CG2 4.34Å; L197-V204 HydrophobicContact CD2-CB 4.3Å; L197-V204 HydrophobicContact CD2-CG1 3.78Å; L197-V204 HydrophobicContact CD2-CG2 3.5Å; L197-V204 HydrophobicContact CG-CG2 3.55Å; K202-V204 HydrophobicContact CB-CG2 4.38Å; K202-V204 WeakPolarHBondContact O-CG2 3.26Å; K202-V204 PolarHBondContact O-N 2.78Å; K202-V204 VanDerWaalsContact O-N 3.15Å; V204-F206 HydrophobicContact CG1-CD2 4.07Å; V204-F206 HydrophobicContact CG1-CE2 3.67Å; V204-F406 PolarHBondContact N-O 3.41Å; V204-V407 WeakPolarHBondContact O-CA 3.36Å; V204-A408 PolarHBondContact O-N 3.27Å; V204-V426 HydrophobicContact CG1-CG2 3.79Å
205L97.8Very high96.7Very high0 Ų020 Ų200%010%0.097CC..EExtended strand (participates in β ladder)trans-110.1118.4175.4-178.175000110.9A408 A410 F415 A424 I425 V426L205-A408 CarbonylContact C-O 3.41Å; L205-A408 WeakPolarHBondContact CA-O 3.26Å; L205-A408 HydrophobicContact CD1-CB 4.24Å; L205-A410 HydrophobicContact CD1-CB 4.08Å; L205-F415 HydrophobicContact CD1-CB 4.44Å; L205-F415 HydrophobicContact CD2-CB 3.72Å; L205-A424 PolarHBondContact N-O 3.07Å; L205-I425 HydrophobicContact CB-CG1 4.5Å; L205-I425 HydrophobicContact CD2-CG1 4.48Å; L205-I425 CarbonylContact O-C 3.53Å; L205-I425 WeakPolarHBondContact O-CA 3.39Å; L205-V426 PolarHBondContact O-N 3.49Å
206F98.1Very high96.6Very high0 Ų020.9 Ų20.90%011%0.105CC..EExtended strand (participates in β ladder)trans-86.8136.9169.1-73.3-111.5000110L194 V204 L214 L218 V221 V407 A408 G409 A410 V426 V428L194-F206 HydrophobicContact CD1-CE1 4.44Å; L194-F206 HydrophobicContact CD1-CZ 4.48Å; L194-F206 HydrophobicContact CD2-CZ 4.27Å; V204-F206 HydrophobicContact CG1-CD2 4.07Å; V204-F206 HydrophobicContact CG1-CE2 3.67Å; F206-L214 HydrophobicContact CB-CD1 3.54Å; F206-L214 WeakPolarHBondContact O-CD1 3.49Å; F206-L218 HydrophobicContact CB-CD1 4.39Å; F206-L218 HydrophobicContact CD1-CB 4.36Å; F206-L218 HydrophobicContact CD2-CD1 4.03Å; F206-L218 HydrophobicContact CD2-CG 4.22Å; F206-L218 HydrophobicContact CE2-CG 4.43Å; F206-L218 HydrophobicContact CG-CB 4.32Å; F206-L218 HydrophobicContact CG-CD1 4.28Å; F206-L218 HydrophobicContact CG-CG 4.47Å; F206-V221 HydrophobicContact CE1-CG2 4.25Å; F206-V221 HydrophobicContact CZ-CG2 4.24Å; F206-V407 HydrophobicContact CD2-CG1 4.18Å; F206-V407 HydrophobicContact CE2-CG1 3.84Å; F206-A408 PolarHBondContact N-O 3.31Å; F206-G409 WeakPolarHBondContact O-CA 3.28Å; F206-A410 PolarHBondContact O-N 3.08Å; F206-V426 HydrophobicContact CD1-CB 3.97Å; F206-V426 HydrophobicContact CD1-CG1 3.9Å; F206-V426 HydrophobicContact CD2-CB 4.44Å; F206-V426 HydrophobicContact CD2-CG2 4.39Å; F206-V426 HydrophobicContact CE1-CB 4.17Å; F206-V426 HydrophobicContact CE1-CG1 3.86Å; F206-V426 HydrophobicContact CE1-CG2 4.37Å; F206-V426 HydrophobicContact CE2-CG2 4.21Å; F206-V426 HydrophobicContact CG-CB 4.11Å; F206-V426 HydrophobicContact CZ-CB 4.48Å; F206-V426 HydrophobicContact CZ-CG1 4.46Å; F206-V426 HydrophobicContact CZ-CG2 4.2Å; F206-V428 HydrophobicContact CB-CG2 4.32Å; F206-V428 HydrophobicContact CD1-CG2 3.87Å
207Y96.4Very high96.6Very high38 Ų3821.4 Ų21.415%0.14911%0.11CC..EExtended strand (participates in β ladder)trans-136.9120.5-178.4-179.8-90.1000111.7A410 T411 I413 R416 V426 V428Y207-A410 WeakPolarHBondContact CA-O 3.43Å; Y207-A410 WeakPolarHBondContact CD2-O 3.12Å; Y207-T411 WeakPolarHBondContact CE2-O 3.47Å; Y207-I413 WeakPolarHBondContact OH-CD1 3.19Å; Y207-R416 HydrophobicContact CD2-CB 3.98Å; Y207-R416 HydrophobicContact CE2-CB 4.06Å; Y207-R416 HydrophobicContact CG-CB 4.23Å; Y207-V426 PolarHBondContact N-O 3.04Å; Y207-V428 PolarHBondContact O-N 3.05Å
208V95.3Very high96.6Very high5 Ų521.4 Ų21.43%0.0311%0.11CC..  trans-167.5157166.860.90000109.3R213 L214 T411 V428 E429V208-R213 HydrophobicContact CG1-CB 4.26Å; V208-L214 VanDerWaalsContact CG1-CA 3.44Å; V208-L214 HydrophobicContact CG1-CB 3.52Å; V208-L214 HydrophobicContact CG1-CD1 4.06Å; V208-L214 HydrophobicContact CG1-CG 4.42Å; V208-T411 WeakPolarHBondContact O-CG2 2.91Å; V208-V428 HydrophobicContact CB-CB 3.79Å; V208-V428 HydrophobicContact CB-CG2 4.23Å; V208-V428 HydrophobicContact CG1-CB 3.67Å; V208-V428 HydrophobicContact CG1-CG1 4.23Å; V208-V428 HydrophobicContact CG1-CG2 3.84Å; V208-V428 HydrophobicContact CG2-CB 4.45Å; V208-E429 HydrophobicContact CG2-CB 4.24Å
209S90.9Very high96.6Very high48 Ų4821.4 Ų21.434%0.33611%0.11SC..SBendtrans-132134.4167-172.20000107Y68Y68-S209 WeakPolarHBondContact CE2-OG 3.46Å; Y68-S209 PolarHBondContact OH-OG 3.42Å
210P92.9Very high96.6Very high35 Ų3521.7 Ų21.723%0.22711%0.112CC..SBendcis-70.4164.610.324.5-31.9000115.9Y68 D71 R213Y68-P210 HydrophobicContact CD1-CB 4.2Å; Y68-P210 HydrophobicContact CE1-CB 3.72Å; Y68-P210 HydrophobicContact CE1-CG 4.19Å; Y68-P210 HydrophobicContact CE2-CB 4.17Å; D71-P210 WeakPolarHBondContact OD2-CB 3.46Å; P210-R213 HydrophobicContact CG-CG 4.41Å
211V95.9Very high96.6Very high2 Ų221.2 Ų21.21%0.01211%0.11CC..Hα-helixtrans-72.5-28.7-171.668.10000112.7P62 D71 V73 Y93 R213 L214 V215 Y389 T411P62-V211 HydrophobicContact CB-CG2 4.49Å; P62-V211 HydrophobicContact CG-CB 4.4Å; P62-V211 HydrophobicContact CG-CG1 3.93Å; P62-V211 HydrophobicContact CG-CG2 4.44Å; D71-V211 HydrophobicContact CB-CG1 4.35Å; D71-V211 VanDerWaalsContact OD2-CG1 3.28Å; D71-V211 WeakPolarHBondContact OD2-CG1 3.3Å; D71-V211 PolarHBondContact OD2-N 2.9Å; D71-V211 VanDerWaalsContact OD2-N 3.09Å; V73-V211 HydrophobicContact CB-CG1 4Å; V73-V211 HydrophobicContact CB-CG2 3.96Å; V73-V211 HydrophobicContact CG2-CG2 3.62Å; Y93-V211 HydrophobicContact CE1-CG1 3.96Å; V211-R213 VanDerWaalsContact C-N 3.33Å; V211-R213 PolarHBondContact O-N 3.13Å; V211-L214 HydrophobicContact CG2-CD2 4.36Å; V211-L214 VanDerWaalsContact O-CB 3.27Å; V211-L214 WeakPolarHBondContact O-CB 3.45Å; V211-L214 PolarHBondContact O-N 3.24Å; V211-L214 VanDerWaalsContact O-N 3.12Å; V211-V215 HydrophobicContact CG2-CG1 4.22Å; V211-V215 PolarHBondContact O-N 3.17Å; V211-Y389 HydrophobicContact CG2-CD2 3.65Å; V211-Y389 HydrophobicContact CG2-CE2 4.09Å; V211-Y389 HydrophobicContact CG2-CG 4.21Å; V211-T411 HydrophobicContact CB-CG2 3.73Å; V211-T411 HydrophobicContact CG2-CG2 3.91Å
212N95.4Very high96.6Very high46 Ų4620.6 Ų20.625%0.24611%0.107CC..Hα-helixtrans-62.8-41.2178.7-177.7-84.3000112.5D71 T72 Q130 L214 V215 G216D71-N212 WeakPolarHBondContact OD1-CB 3.44Å; D71-N212 PolarHBondContact OD2-N 2.47Å; T72-N212 VanDerWaalsContact O-CA 3.26Å; T72-N212 WeakPolarHBondContact O-CA 3.35Å; T72-N212 WeakPolarHBondContact O-CB 3.44Å; T72-N212 PolarHBondContact O-N 3.46Å; Q130-N212 PolarHBondContact OE1-ND2 3.41Å; Q130-N212 VanDerWaalsContact OE1-ND2 3.11Å; N212-L214 PolarHBondContact O-N 3.04Å; N212-V215 WeakPolarHBondContact O-CG2 3.37Å; N212-V215 PolarHBondContact O-N 3.27Å; N212-G216 PolarHBondContact O-N 3.45Å
213R95.1Very high96.6Very high100 Ų10017.8 Ų17.838%0.37710%0.095SC..Hα-helixtrans-62-35.1175.3-67.9-171.470.2-172.8-2.5112V208 P210 V211 A217 E429V208-R213 HydrophobicContact CG1-CB 4.26Å; P210-R213 HydrophobicContact CG-CG 4.41Å; V211-R213 VanDerWaalsContact C-N 3.33Å; V211-R213 PolarHBondContact O-N 3.13Å; R213-A217 VanDerWaalsContact O-CB 3.27Å; R213-A217 WeakPolarHBondContact O-CB 3.48Å; R213-A217 PolarHBondContact O-N 3.3Å; R213-E429 IonicContact CZ-OE1 3.5Å; R213-E429 IonicContact CZ-OE2 3Å; R213-E429 IonicContact NH1-OE1 3.95Å; R213-E429 PolarHBondContact NH1-OE1 2.83Å; R213-E429 IonicContact NH1-OE2 2.67Å; R213-E429 PolarHBondContact NH1-OE2 3.32Å; R213-E429 IonicContact NH2-OE1 2.55Å; R213-E429 IonicContact NH2-OE2 2.77Å
214L96.9Very high96.7Very high0 Ų015.2 Ų15.20%08%0.084CC..Hα-helixtrans-64.9-57.8178173.567.9000111.2F206 V208 V211 N212 G216 A217 L218 Y389 T411F206-L214 HydrophobicContact CB-CD1 3.54Å; F206-L214 WeakPolarHBondContact O-CD1 3.49Å; V208-L214 VanDerWaalsContact CG1-CA 3.44Å; V208-L214 HydrophobicContact CG1-CB 3.52Å; V208-L214 HydrophobicContact CG1-CD1 4.06Å; V208-L214 HydrophobicContact CG1-CG 4.42Å; V211-L214 HydrophobicContact CG2-CD2 4.36Å; V211-L214 VanDerWaalsContact O-CB 3.27Å; V211-L214 WeakPolarHBondContact O-CB 3.45Å; V211-L214 PolarHBondContact O-N 3.24Å; V211-L214 VanDerWaalsContact O-N 3.12Å; N212-L214 PolarHBondContact O-N 3.04Å; L214-G216 VanDerWaalsContact C-N 3.31Å; L214-G216 PolarHBondContact O-N 2.9Å; L214-A217 PolarHBondContact O-N 3.09Å; L214-L218 PolarHBondContact O-N 3.07Å; L214-Y389 HydrophobicContact CD2-CD2 4.13Å; L214-T411 HydrophobicContact CD2-CG2 3.96Å
215V97.3Very high96.7Very high0 Ų015.5 Ų15.50%09%0.085CC..Hα-helixtrans-66.6-37-176.9-57.50000111V73 Y74 V211 N212 M219 P388V73-V215 HydrophobicContact CG2-CG1 4.13Å; Y74-V215 HydrophobicContact CD1-CG2 4.49Å; Y74-V215 HydrophobicContact CD2-CB 3.72Å; Y74-V215 HydrophobicContact CD2-CG2 3.51Å; Y74-V215 HydrophobicContact CE2-CG2 3.92Å; Y74-V215 HydrophobicContact CG-CB 4.09Å; Y74-V215 HydrophobicContact CG-CG2 3.84Å; V211-V215 HydrophobicContact CG2-CG1 4.22Å; V211-V215 PolarHBondContact O-N 3.17Å; N212-V215 WeakPolarHBondContact O-CG2 3.37Å; N212-V215 PolarHBondContact O-N 3.27Å; V215-M219 WeakPolarHBondContact O-CB 3.44Å; V215-M219 WeakPolarHBondContact O-CG 3.44Å; V215-M219 PolarHBondContact O-N 3.09Å; V215-P388 HydrophobicContact CG1-CB 4.4Å
216G96.5Very high96.5Very high18 Ų1816.5 Ų16.519%0.1869%0.092CC..Hα-helixtrans-60.7-49.1175.100000112.3N212 L214 T220N212-G216 PolarHBondContact O-N 3.45Å; L214-G216 VanDerWaalsContact C-N 3.31Å; L214-G216 PolarHBondContact O-N 2.9Å; G216-T220 WeakPolarHBondContact O-CB 3.34Å; G216-T220 PolarHBondContact O-N 2.84Å; G216-T220 PolarHBondContact O-OG1 2.95Å
217A97.8Very high96.3Very high13 Ų1317.5 Ų17.511%0.10710%0.102CC..Hα-helixtrans-63.5-47178.900000112.3R213 L214 T220 V221 V428R213-A217 VanDerWaalsContact O-CB 3.27Å; R213-A217 WeakPolarHBondContact O-CB 3.48Å; R213-A217 PolarHBondContact O-N 3.3Å; L214-A217 PolarHBondContact O-N 3.09Å; A217-T220 PolarHBondContact O-N 2.76Å; A217-V221 WeakPolarHBondContact O-CG2 3.46Å; A217-V221 PolarHBondContact O-N 2.83Å; A217-V428 HydrophobicContact CB-CG1 3.63Å; A217-V428 HydrophobicContact CB-CG2 4.41Å
218L98.3Very high96.3Very high1 Ų115.8 Ų15.81%0.00510%0.095CC..Hα-helixtrans-60.5-53179.7-174.5159.9000110.9F206 L214 T220 V221 L222 V407F206-L218 HydrophobicContact CB-CD1 4.39Å; F206-L218 HydrophobicContact CD1-CB 4.36Å; F206-L218 HydrophobicContact CD2-CD1 4.03Å; F206-L218 HydrophobicContact CD2-CG 4.22Å; F206-L218 HydrophobicContact CE2-CG 4.43Å; F206-L218 HydrophobicContact CG-CB 4.32Å; F206-L218 HydrophobicContact CG-CD1 4.28Å; F206-L218 HydrophobicContact CG-CG 4.47Å; L214-L218 PolarHBondContact O-N 3.07Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.26Å; L218-V221 PolarHBondContact O-N 3.29Å; L218-L222 HydrophobicContact CD2-CD1 3.84Å; L218-L222 HydrophobicContact CD2-CG 4.22Å; L218-L222 WeakPolarHBondContact O-CG 3.35Å; L218-L222 PolarHBondContact O-N 3.19Å; L218-L222 VanDerWaalsContact O-N 3.15Å; L218-V407 HydrophobicContact CD1-CG1 4Å; L218-V407 HydrophobicContact CD2-CG1 4.27Å; L218-V407 HydrophobicContact CG-CG1 3.96Å
219M98.1Very high96.3Very high0 Ų015.5 Ų15.50%09%0.094CC..Hα-helixtrans-65.3-32.3-179-63.5-48.9-5700112.2Y74 Y126 L178 V215 L222 S223 I229 L233 P388Y74-M219 HydrophobicContact CD2-CG 4.05Å; Y126-M219 HydrophobicContact CD2-CE 4.19Å; Y126-M219 HydrophobicContact CE2-CE 3.5Å; Y126-M219 VanDerWaalsContact CE2-CE 3.5Å; L178-M219 HydrophobicContact CD1-CB 4.23Å; L178-M219 HydrophobicContact CD2-CB 3.71Å; V215-M219 WeakPolarHBondContact O-CB 3.44Å; V215-M219 WeakPolarHBondContact O-CG 3.44Å; V215-M219 PolarHBondContact O-N 3.09Å; M219-L222 HydrophobicContact CE-CD1 4.23Å; M219-L222 PolarHBondContact O-N 2.82Å; M219-L222 HydrophobicContact SD-CD1 4.22Å; M219-S223 PolarHBondContact O-N 3.31Å; M219-I229 HydrophobicContact CE-CD1 3.55Å; M219-L233 HydrophobicContact CE-CD1 3.76Å; M219-P388 HydrophobicContact CG-CB 4.41Å; M219-P388 HydrophobicContact SD-CB 3.87Å; M219-P388 HydrophobicContact SD-CG 3.61Å
220T98.1Very high96.3Very high8 Ų814.3 Ų14.35%0.0498%0.083CC..Hα-helixtrans-65.1-41.4174.9-61.50000111.8S179 P180 L183 G216 A217 L218 L222 S223S179-T220 WeakPolarHBondContact O-CG2 3.21Å; P180-T220 HydrophobicContact CB-CG2 4.48Å; P180-T220 HydrophobicContact CG-CG2 4.11Å; P180-T220 VanDerWaalsContact N-CG2 3.31Å; L183-T220 HydrophobicContact CB-CG2 3.93Å; L183-T220 HydrophobicContact CD2-CG2 3.99Å; L183-T220 HydrophobicContact CG-CG2 4.45Å; G216-T220 WeakPolarHBondContact O-CB 3.34Å; G216-T220 PolarHBondContact O-N 2.84Å; G216-T220 PolarHBondContact O-OG1 2.95Å; A217-T220 PolarHBondContact O-N 2.76Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.26Å; T220-L222 VanDerWaalsContact C-N 3.31Å; T220-L222 PolarHBondContact O-N 2.84Å; T220-S223 WeakPolarHBondContact O-CB 3.24Å; T220-S223 PolarHBondContact O-N 2.95Å; T220-S223 VanDerWaalsContact O-N 3.17Å; T220-S223 PolarHBondContact O-OG 3.05Å
221V98.5Very high96.3Very high0 Ų014.9 Ų14.90%08%0.083CC..Hα-helixtrans-60.6-42.7173.81760000110.5L183 L194 I198 F206 A217 L218 S223 L224L183-V221 HydrophobicContact CD1-CG2 3.95Å; L183-V221 HydrophobicContact CD2-CB 4.41Å; L183-V221 HydrophobicContact CD2-CG2 3.61Å; L183-V221 HydrophobicContact CG-CG2 4.42Å; L194-V221 HydrophobicContact CB-CG1 4.1Å; L194-V221 HydrophobicContact CD1-CG2 3.96Å; I198-V221 HydrophobicContact CD1-CB 4.49Å; I198-V221 HydrophobicContact CD1-CG1 3.4Å; I198-V221 VanDerWaalsContact CD1-CG1 3.4Å; F206-V221 HydrophobicContact CE1-CG2 4.25Å; F206-V221 HydrophobicContact CZ-CG2 4.24Å; A217-V221 WeakPolarHBondContact O-CG2 3.46Å; A217-V221 PolarHBondContact O-N 2.83Å; L218-V221 PolarHBondContact O-N 3.29Å; V221-S223 VanDerWaalsContact C-N 3.25Å; V221-S223 PolarHBondContact O-N 3.44Å; V221-L224 WeakPolarHBondContact O-CB 3.28Å; V221-L224 WeakPolarHBondContact O-CG 3.25Å; V221-L224 PolarHBondContact O-N 2.81Å
222L98.3Very high96.2Very high0 Ų014.8 Ų14.80%08%0.082CC..Hα-helixtrans-64.8-31.2177.3-59.5-170.8000112.6I198 L218 M219 T220 L224 F225 M228 I229 L233 F380 C386I198-L222 HydrophobicContact CD1-CD2 3.91Å; I198-L222 HydrophobicContact CG2-CD2 4.3Å; L218-L222 HydrophobicContact CD2-CD1 3.84Å; L218-L222 HydrophobicContact CD2-CG 4.22Å; L218-L222 WeakPolarHBondContact O-CG 3.35Å; L218-L222 PolarHBondContact O-N 3.19Å; L218-L222 VanDerWaalsContact O-N 3.15Å; M219-L222 HydrophobicContact CE-CD1 4.23Å; M219-L222 PolarHBondContact O-N 2.82Å; M219-L222 HydrophobicContact SD-CD1 4.22Å; T220-L222 VanDerWaalsContact C-N 3.31Å; T220-L222 PolarHBondContact O-N 2.84Å; L222-L224 PolarHBondContact O-N 3.18Å; L222-L224 VanDerWaalsContact O-N 3.16Å; L222-F225 WeakPolarHBondContact O-CD2 3.47Å; L222-F225 PolarHBondContact O-N 3.43Å; L222-F225 VanDerWaalsContact O-N 3.12Å; L222-M228 HydrophobicContact CB-CG 4.38Å; L222-M228 WeakPolarHBondContact O-CB 3.36Å; L222-I229 HydrophobicContact CB-CD1 3.92Å; L222-L233 HydrophobicContact CD1-CD2 4.31Å; L222-F380 HydrophobicContact CD1-CE2 3.97Å; L222-F380 HydrophobicContact CD1-CZ 3.9Å; L222-F380 HydrophobicContact CD2-CE2 3.87Å; L222-F380 HydrophobicContact CD2-CZ 3.6Å; L222-F380 HydrophobicContact CG-CE2 4.49Å; L222-F380 HydrophobicContact CG-CZ 4.41Å; L222-C386 WeakPolarHBondContact CD1-SG 3.41Å
223S97.4Very high96.2Very high5 Ų512.6 Ų12.64%0.0357%0.07CC..THydrogen-bonded Turntrans-68.8-7.5176.783.90000115M219 T220 V221 F225 R483M219-S223 PolarHBondContact O-N 3.31Å; T220-S223 WeakPolarHBondContact O-CB 3.24Å; T220-S223 PolarHBondContact O-N 2.95Å; T220-S223 VanDerWaalsContact O-N 3.17Å; T220-S223 PolarHBondContact O-OG 3.05Å; V221-S223 VanDerWaalsContact C-N 3.25Å; V221-S223 PolarHBondContact O-N 3.44Å; S223-F225 VanDerWaalsContact C-N 3.29Å; S223-R483 WeakPolarHBondContact O-CD 3.45Å; S223-R483 PolarHBondContact O-NE 3.37Å; S223-R483 PolarHBondContact OG-NE 2.89Å; S223-R483 PolarHBondContact OG-NH2 3.38Å; S223-R483 VanDerWaalsContact OG-NH2 3.1Å
224L98.1Very high96.1Very high1 Ų18.7 Ų8.71%0.0056%0.058CC..THydrogen-bonded Turntrans-76.8-19.1172.1-59177000112.3P180 L183 V191 F195 V221 L222 I482 F486P180-L224 HydrophobicContact CB-CD2 3.9Å; P180-L224 HydrophobicContact CG-CD2 4.07Å; L183-L224 HydrophobicContact CD2-CD1 4.21Å; V191-L224 HydrophobicContact CG1-CD1 3.43Å; V191-L224 VanDerWaalsContact CG1-CD1 3.43Å; F195-L224 HydrophobicContact CD2-CB 3.93Å; F195-L224 HydrophobicContact CE2-CB 4.1Å; V221-L224 WeakPolarHBondContact O-CB 3.28Å; V221-L224 WeakPolarHBondContact O-CG 3.25Å; V221-L224 PolarHBondContact O-N 2.81Å; L222-L224 PolarHBondContact O-N 3.18Å; L222-L224 VanDerWaalsContact O-N 3.16Å; L224-I482 HydrophobicContact CD2-CG2 4.11Å; L224-F486 HydrophobicContact CB-CB 4.31Å; L224-F486 HydrophobicContact CB-CD1 4.27Å; L224-F486 HydrophobicContact CB-CD2 4.42Å; L224-F486 HydrophobicContact CB-CG 4.09Å; L224-F486 HydrophobicContact CD1-CD1 4.4Å; L224-F486 HydrophobicContact CD1-CD2 4.32Å; L224-F486 HydrophobicContact CD1-CE1 4.12Å; L224-F486 HydrophobicContact CD1-CE2 4.02Å; L224-F486 HydrophobicContact CD1-CZ 3.92Å; L224-F486 HydrophobicContact CD2-CD2 3.74Å; L224-F486 HydrophobicContact CD2-CE2 3.98Å; L224-F486 HydrophobicContact CD2-CG 4.25Å; L224-F486 HydrophobicContact CG-CD2 4.39Å; L224-F486 WeakPolarHBondContact O-CB 3.3Å
225F97.6Very high95.9Very high5 Ų510.8 Ų10.82%0.0227%0.068CC..SBendtrans-86.5124175-63.3-92000108.8F195 I198 L199 L222 S223 G227 M228 I379F195-F225 HydrophobicContact CD1-CE1 4.44Å; F195-F225 HydrophobicContact CD1-CZ 4.44Å; F195-F225 HydrophobicContact CD2-CD1 4.28Å; F195-F225 HydrophobicContact CD2-CD2 4.16Å; F195-F225 AromaticContact CD2-CE1 3.81Å; F195-F225 HydrophobicContact CD2-CE1 3.81Å; F195-F225 AromaticContact CD2-CE2 3.68Å; F195-F225 HydrophobicContact CD2-CE2 3.68Å; F195-F225 HydrophobicContact CD2-CG 4.45Å; F195-F225 AromaticContact CD2-CZ 3.49Å; F195-F225 HydrophobicContact CD2-CZ 3.49Å; F195-F225 VanDerWaalsContact CD2-CZ 3.49Å; F195-F225 HydrophobicContact CE1-CE1 4.08Å; F195-F225 AromaticContact CE2-CD1 3.52Å; F195-F225 HydrophobicContact CE2-CD1 3.52Å; F195-F225 AromaticContact CE2-CD2 3.97Å; F195-F225 HydrophobicContact CE2-CD2 3.97Å; F195-F225 AromaticContact CE2-CE1 3.4Å; F195-F225 HydrophobicContact CE2-CE1 3.4Å; F195-F225 VanDerWaalsContact CE2-CE1 3.4Å; F195-F225 AromaticContact CE2-CE2 3.87Å; F195-F225 HydrophobicContact CE2-CE2 3.87Å; F195-F225 AromaticContact CE2-CG 3.81Å; F195-F225 HydrophobicContact CE2-CG 3.81Å; F195-F225 AromaticContact CE2-CZ 3.6Å; F195-F225 HydrophobicContact CE2-CZ 3.6Å; F195-F225 HydrophobicContact CG-CE1 4.31Å; F195-F225 HydrophobicContact CG-CE2 4.46Å; F195-F225 AromaticContact CG-CZ 3.95Å; F195-F225 HydrophobicContact CG-CZ 3.95Å; F195-F225 AromaticContact CZ-CD1 3.75Å; F195-F225 HydrophobicContact CZ-CD1 3.75Å; F195-F225 AromaticContact CZ-CE1 3.56Å; F195-F225 HydrophobicContact CZ-CE1 3.56Å; F195-F225 HydrophobicContact CZ-CG 4.46Å; F195-F225 HydrophobicContact CZ-CZ 4.13Å; F195-F225 WeakPolarHBondContact O-CZ 3.4Å; I198-F225 HydrophobicContact CB-CE2 4.19Å; I198-F225 HydrophobicContact CB-CZ 3.92Å; I198-F225 HydrophobicContact CD1-CE2 4.43Å; I198-F225 HydrophobicContact CG2-CE2 3.86Å; I198-F225 HydrophobicContact CG2-CZ 3.75Å; L199-F225 HydrophobicContact CB-CE1 4.46Å; L199-F225 HydrophobicContact CD1-CD1 4.41Å; L199-F225 HydrophobicContact CD1-CE1 3.75Å; L222-F225 WeakPolarHBondContact O-CD2 3.47Å; L222-F225 PolarHBondContact O-N 3.43Å; L222-F225 VanDerWaalsContact O-N 3.12Å; S223-F225 VanDerWaalsContact C-N 3.29Å; F225-G227 PolarHBondContact O-N 3.13Å; F225-M228 HydrophobicContact CB-CB 3.61Å; F225-M228 HydrophobicContact CB-CE 3.95Å; F225-M228 HydrophobicContact CB-CG 4.11Å; F225-M228 HydrophobicContact CG-CE 4.36Å; F225-M228 VanDerWaalsContact O-CB 3.24Å; F225-M228 WeakPolarHBondContact O-CB 3.4Å; F225-M228 PolarHBondContact O-N 3.3Å; F225-I379 HydrophobicContact CD1-CD1 3.75Å; F225-I379 HydrophobicContact CE1-CD1 3.72Å; F225-I379 HydrophobicContact CG-CD1 4.42Å; F225-I379 HydrophobicContact CZ-CD1 4.36Å
226P94.7Very high95.7Very high22 Ų2210.8 Ų10.814%0.1437%0.068CC..THydrogen-bonded Turntrans-63.2132.1-175.1-18.330.8000111.2M228 L375 P376 T487 L490P226-M228 PolarHBondContact O-N 2.82Å; P226-L375 HydrophobicContact CB-CD1 3.73Å; P226-L375 HydrophobicContact CG-CD1 3.74Å; P226-P376 WeakPolarHBondContact O-CA 3.5Å; P226-P376 WeakPolarHBondContact O-CB 3.5Å; P226-T487 HydrophobicContact CB-CG2 4.33Å; P226-T487 HydrophobicContact CG-CG2 3.77Å; P226-T487 WeakPolarHBondContact CG-OG1 3.2Å; P226-L490 HydrophobicContact CG-CD2 4.42Å
227G92.8Very high95.5Very high21 Ų219.9 Ų9.922%0.2166%0.06CC..THydrogen-bonded Turntrans70.81.7179.700000115.3F225 E230 H231 G232 P376F225-G227 PolarHBondContact O-N 3.13Å; G227-E230 WeakPolarHBondContact CA-OE2 3.27Å; G227-E230 PolarHBondContact O-N 3.08Å; G227-H231 PolarHBondContact O-N 3.1Å; G227-G232 PolarHBondContact O-N 3.21Å; G227-P376 WeakPolarHBondContact O-CG 3.24Å
228M96.3Very high95Very high1 Ų112.6 Ų12.61%0.0057%0.07CC..Iπ-helixtrans-67.4-43.8-170.6-178.359.861.800112.3L222 F225 P226 G232 L233 P376 L377 I379 F380L222-M228 HydrophobicContact CB-CG 4.38Å; L222-M228 WeakPolarHBondContact O-CB 3.36Å; F225-M228 HydrophobicContact CB-CB 3.61Å; F225-M228 HydrophobicContact CB-CE 3.95Å; F225-M228 HydrophobicContact CB-CG 4.11Å; F225-M228 HydrophobicContact CG-CE 4.36Å; F225-M228 VanDerWaalsContact O-CB 3.24Å; F225-M228 WeakPolarHBondContact O-CB 3.4Å; F225-M228 PolarHBondContact O-N 3.3Å; P226-M228 PolarHBondContact O-N 2.82Å; M228-G232 CarbonylContact O-C 3.46Å; M228-G232 VanDerWaalsContact O-CA 3.24Å; M228-G232 WeakPolarHBondContact O-CA 3.39Å; M228-G232 PolarHBondContact O-N 2.94Å; M228-L233 PolarHBondContact O-N 3.23Å; M228-P376 HydrophobicContact CE-CB 4.31Å; M228-L377 WeakPolarHBondContact CE-O 3.49Å; M228-I379 HydrophobicContact CE-CB 4.09Å; M228-I379 HydrophobicContact CE-CD1 3.76Å; M228-I379 HydrophobicContact CE-CG1 4.17Å; M228-F380 HydrophobicContact CG-CE2 4.31Å; M228-F380 HydrophobicContact SD-CD2 3.53Å; M228-F380 VanDerWaalsContact SD-CD2 3.53Å; M228-F380 HydrophobicContact SD-CE2 3.72Å
229I95.1Very high94.5Very high0 Ų013.4 Ų13.40%07%0.073CC..Iπ-helixtrans-69.8-40.9179.5-57.8-58.4000109.6P124 Y126 L175 L178 M219 L222 L233P124-I229 HydrophobicContact CB-CG2 4.48Å; P124-I229 HydrophobicContact CG-CG2 4.44Å; P124-I229 WeakPolarHBondContact CG-O 3.07Å; Y126-I229 HydrophobicContact CE2-CG2 4.32Å; L175-I229 HydrophobicContact CD2-CB 4.32Å; L175-I229 HydrophobicContact CD2-CG1 4.09Å; L178-I229 HydrophobicContact CD1-CD1 4.43Å; L178-I229 HydrophobicContact CD1-CG1 4.33Å; M219-I229 HydrophobicContact CE-CD1 3.55Å; L222-I229 HydrophobicContact CB-CD1 3.92Å; I229-L233 HydrophobicContact CD1-CD1 4.25Å
230E91.2Very high93.4Very high22 Ų2222 Ų2210%0.10311%0.11CC..Iπ-helixtrans-71.1-48.9-173.5-59.986.7166.600112.2S171 Y174 G227S171-E230 WeakPolarHBondContact CB-OE1 3.1Å; Y174-E230 HydrophobicContact CD1-CG 4.37Å; Y174-E230 HydrophobicContact CD2-CG 3.73Å; Y174-E230 HydrophobicContact CE2-CG 4.38Å; Y174-E230 HydrophobicContact CG-CB 4.46Å; Y174-E230 HydrophobicContact CG-CG 3.73Å; G227-E230 WeakPolarHBondContact CA-OE2 3.27Å; G227-E230 PolarHBondContact O-N 3.08Å
231H92.2Very high92Very high48 Ų4822.6 Ų22.622%0.22211%0.114CC..Iπ-helixtrans-128.6-12.8-169.1-53.1-76.4000113.8G227 E369 P376G227-H231 PolarHBondContact O-N 3.1Å; H231-E369 HydrophobicContact CB-CB 4.19Å; H231-E369 IonicContact CE1-OE2 3.61Å; H231-E369 PolarHBondContact CE1-OE2 3.13Å; H231-E369 IonicContact CG-OE2 3.05Å; H231-E369 IonicContact ND1-OE2 3.96Å; H231-E369 PolarHBondContact ND1-OE2 3.33Å; H231-P376 HydrophobicContact CB-CG 3.98Å
232G94.6Very high90.4Very high0 Ų028.7 Ų28.70%014%0.141CC..Iπ-helixtrans-88.4-14.8-170.800000115.9G227 M228G227-G232 PolarHBondContact O-N 3.21Å; M228-G232 CarbonylContact O-C 3.46Å; M228-G232 VanDerWaalsContact O-CA 3.24Å; M228-G232 WeakPolarHBondContact O-CA 3.39Å; M228-G232 PolarHBondContact O-N 2.94Å
233L95.8Very high88.4Confident0 Ų031 Ų310%016%0.157CC..THydrogen-bonded Turntrans-96.24.6-174.8-62.4176.7000114.5C86 Y88 M219 L222 M228 I229 D235 S236 F380 C386C86-L233 WeakPolarHBondContact CB-O 3.33Å; Y88-L233 HydrophobicContact CE1-CB 3.87Å; Y88-L233 VanDerWaalsContact OH-C 3.28Å; Y88-L233 PolarHBondContact OH-O 2.88Å; M219-L233 HydrophobicContact CE-CD1 3.76Å; L222-L233 HydrophobicContact CD1-CD2 4.31Å; M228-L233 PolarHBondContact O-N 3.23Å; I229-L233 HydrophobicContact CD1-CD1 4.25Å; L233-D235 PolarHBondContact O-N 2.92Å; L233-D235 VanDerWaalsContact O-N 3.13Å; L233-S236 WeakPolarHBondContact O-CB 3.2Å; L233-S236 PolarHBondContact O-N 2.92Å; L233-S236 PolarHBondContact O-OG 3.26Å; L233-F380 HydrophobicContact CD2-CD2 3.56Å; L233-F380 HydrophobicContact CD2-CE2 3.9Å; L233-F380 HydrophobicContact CD2-CG 4.16Å; L233-C386 HydrophobicContact CD2-CB 4.02Å
234V93.1Very high85.9Confident18 Ų1836.5 Ų36.511%0.10920%0.195CC..THydrogen-bonded Turntrans-59.6-29.4-173.5-63.30000114.1K85 C86 Y88 L368K85-V234 HydrophobicContact CB-CB 4.34Å; K85-V234 HydrophobicContact CD-CB 3.93Å; K85-V234 HydrophobicContact CD-CG1 3.89Å; K85-V234 HydrophobicContact CG-CB 4.23Å; C86-V234 WeakPolarHBondContact CB-O 3.48Å; C86-V234 PolarHBondContact N-O 3.42Å; Y88-V234 PolarHBondContact OH-N 2.75Å; V234-L368 HydrophobicContact CG2-CD2 3.26Å
235D92.1Very high83.1Confident43 Ų4341.1 Ų41.123%0.2322%0.223CC..THydrogen-bonded Turntrans-107.56.6179.6-75.9-1.6000112.9L233 S237 H238 F380L233-D235 PolarHBondContact O-N 2.92Å; L233-D235 VanDerWaalsContact O-N 3.13Å; D235-S237 PolarHBondContact O-N 3.09Å; D235-S237 VanDerWaalsContact O-N 3.07Å; D235-H238 WeakPolarHBondContact O-CB 3.44Å; D235-H238 PolarHBondContact O-N 3.04Å; D235-H238 IonicContact OD1-CE1 3.11Å; D235-H238 PolarHBondContact OD1-CE1 3.08Å; D235-H238 IonicContact OD1-ND1 2.79Å; D235-H238 IonicContact OD1-NE2 3.69Å; D235-F380 CarbonylContact C-O 3.51Å; D235-F380 WeakPolarHBondContact CB-O 3.44Å
236S93.1Very high80.2Confident0 Ų046.3 Ų46.30%026%0.26CS..THydrogen-bonded Turntrans-72.6-9.4-164.272.90000115H76 L233 L385 C386H76-S236 PolarHBondContact CE1-OG 2.76Å; H76-S236 PolarHBondContact ND1-OG 2.88Å; L233-S236 WeakPolarHBondContact O-CB 3.2Å; L233-S236 PolarHBondContact O-N 2.92Å; L233-S236 PolarHBondContact O-OG 3.26Å; S236-L385 CarbonylContact O-C 3.29Å; S236-L385 VanDerWaalsContact O-CA 3.26Å; S236-L385 WeakPolarHBondContact O-CA 3.44Å; S236-C386 PolarHBondContact O-N 3.4Å
237S92.6Very high77.3Confident0 Ų051.6 Ų51.60%029%0.288CS..THydrogen-bonded Turntrans-117.615.9178.165.40000113.3L77 P78 C86 D235 Y239L77-S237 WeakPolarHBondContact O-CB 3.33Å; L77-S237 PolarHBondContact O-OG 2.99Å; P78-S237 WeakPolarHBondContact CA-O 3.13Å; P78-S237 WeakPolarHBondContact CA-OG 3.43Å; P78-S237 WeakPolarHBondContact CB-O 3.44Å; C86-S237 WeakPolarHBondContact CB-OG 3.43Å; C86-S237 PolarHBondContact SG-OG 3.45Å; D235-S237 PolarHBondContact O-N 3.09Å; D235-S237 VanDerWaalsContact O-N 3.07Å; S237-Y239 WeakPolarHBondContact O-CD1 3.19Å; S237-Y239 PolarHBondContact O-N 3.37Å
238H88.1Confident74.2Confident69 Ų6956.7 Ų56.732%0.31931%0.31SS..  trans-75.787.5-177.5-72.6-162.7000111.1P79 D235P79-H238 VanDerWaalsContact CD-CD2 3.4Å; P79-H238 WeakPolarHBondContact CD-CD2 3.34Å; D235-H238 WeakPolarHBondContact O-CB 3.44Å; D235-H238 PolarHBondContact O-N 3.04Å; D235-H238 IonicContact OD1-CE1 3.11Å; D235-H238 PolarHBondContact OD1-CE1 3.08Å; D235-H238 IonicContact OD1-ND1 2.79Å; D235-H238 IonicContact OD1-NE2 3.69Å
239Y86.5Confident71.3Confident18 Ų1862.8 Ų62.87%0.07135%0.349CS..  trans-134.5156.8169.465.5-89.6000110.1P78 S237 P241 L385 L387 Q394 L397P78-Y239 HydrophobicContact CB-CE1 4.4Å; P78-Y239 HydrophobicContact CG-CE1 4.39Å; S237-Y239 WeakPolarHBondContact O-CD1 3.19Å; S237-Y239 PolarHBondContact O-N 3.37Å; Y239-P241 HydrophobicContact CE2-CB 4.39Å; Y239-P241 HydrophobicContact CE2-CG 4.37Å; Y239-P241 WeakPolarHBondContact O-CD 3.33Å; Y239-L385 HydrophobicContact CD1-CD1 4.18Å; Y239-L385 HydrophobicContact CD1-CD2 4.41Å; Y239-L387 HydrophobicContact CE1-CD2 4.48Å; Y239-Q394 PolarHBondContact OH-NE2 3.18Å; Y239-Q394 VanDerWaalsContact OH-NE2 3.09Å; Y239-L397 HydrophobicContact CD1-CD1 4.28Å; Y239-L397 HydrophobicContact CD2-CD1 4.05Å; Y239-L397 HydrophobicContact CD2-CD2 3.52Å; Y239-L397 HydrophobicContact CD2-CG 4.44Å; Y239-L397 HydrophobicContact CE1-CD1 4.12Å; Y239-L397 HydrophobicContact CE2-CD1 3.86Å; Y239-L397 HydrophobicContact CE2-CD2 3.99Å; Y239-L397 HydrophobicContact CG-CD1 4.26Å; Y239-L397 HydrophobicContact CG-CD2 3.94Å
240K75.6Confident68.3Low181 Ų18166.4 Ų66.479%0.78738%0.375SS*.  trans-93.5115.6171.3-69.7-172176.7-173.90108.8
241P68.8Low65.4Low21 Ų2173.5 Ų73.514%0.13641%0.413CS..PPolyproline II helixtrans-61.5140.2170.92.43.1000109.5Y55 Y239 S243Y55-P241 HydrophobicContact CE2-CB 4.22Å; Y239-P241 HydrophobicContact CE2-CB 4.39Å; Y239-P241 HydrophobicContact CE2-CG 4.37Å; Y239-P241 WeakPolarHBondContact O-CD 3.33Å; P241-S243 PolarHBondContact O-N 3.31Å
242K64.8Low62.6Low127 Ų12778.1 Ų78.155%0.55244%0.444SS*.PPolyproline II helixtrans-59.4126.2175.1-69.8-171.3173.8-172.10110.3K54K54-K242 PolarHBondContact NZ-O 3.15Å
243S55.6Low59.5Low48 Ų4886.6 Ų86.634%0.33648%0.483SS..PPolyproline II helixtrans-61.7144.1169.254.30000109.5E51 P241 V245E51-S243 WeakPolarHBondContact OE1-CA 3.32Å; E51-S243 WeakPolarHBondContact OE1-CB 3.49Å; P241-S243 PolarHBondContact O-N 3.31Å; S243-V245 PolarHBondContact O-N 3.03Å; S243-V245 PolarHBondContact OG-O 2.93Å
244S44.6Very low56.3Low121 Ų12192.6 Ų92.685%0.84653%0.525SS*.SBendtrans-74.715.1179.748.60000113.5
245V39.3Very low53Low98 Ų9895.1 Ų95.159%0.59456%0.555SS**SBendtrans-121.4126.2174.3-170.70000106.2S243 D247S243-V245 PolarHBondContact O-N 3.03Å; S243-V245 PolarHBondContact OG-O 2.93Å; V245-D247 VanDerWaalsContact C-N 3.32Å; V245-D247 PolarHBondContact O-N 3.33Å
246S37.2Very low49.9Very low114 Ų114102 Ų10280%0.79759%0.59SS**  trans-58.493.5173500000110D248S246-D248 PolarHBondContact O-N 3.48Å
247D33.7Very low46.7Very low134 Ų134105.6 Ų105.672%0.71763%0.628SS**  trans-73.987159.2-74-34.7000106.9V245 P249V245-D247 VanDerWaalsContact C-N 3.32Å; V245-D247 PolarHBondContact O-N 3.33Å; D247-P249 WeakPolarHBondContact O-CD 3.22Å
248D28.7Very low43.7Very low128 Ų128110 Ų11068%0.68466%0.664SS**  trans-67.3117.5165.8-157.2-3.4000107.1S246 S250S246-D248 PolarHBondContact O-N 3.48Å; D248-S250 PolarHBondContact O-N 3.26Å
249P35.8Very low40.9Very low128 Ų128114.6 Ų114.683%0.83169%0.686SS**SBendtrans-8263.1-179.434.9-32.4000108.9D247D247-P249 WeakPolarHBondContact O-CD 3.22Å
250S31.1Very low38.1Very low76 Ų76122 Ų12253%0.53172%0.721SS.*  trans-154.4107.2159.766.30000109.5D248D248-S250 PolarHBondContact O-N 3.26Å
251L30.5Very low35.7Very low172 Ų172123.1 Ų123.190%0.90173%0.726SS**  trans153.389.4143.5-79162.7000108.5
252V32.2Very low33.6Very low144 Ų144128.1 Ų128.187%0.87376%0.756SS**  trans-63.4131.8156.6177.20000107.5
253E31.3Very low31.7Very low179 Ų179127.3 Ų127.384%0.83677%0.767SS**  trans-38.8135-177-75.1171.312700116.2
254S26.7Very low30.2Very low126 Ų126131 Ų13188%0.88179%0.787SS**  trans-144.1101.5141.9-75.30000109.4
255G24.3Very low29.3Very low70 Ų70130.5 Ų130.572%0.72278%0.783SS**  trans71.6112.5139.500000120.7
256L28.4Very low28.8Very low188 Ų188132.6 Ų132.698%0.98480%0.796SS**  trans60118.7138-69.4160.6000119.8
257G26Very low28.3Very low76 Ų76133.2 Ų133.278%0.78480%0.795SS**  trans160.3105.2154.100000112.3
258A28.4Very low28Very low93 Ų93133.7 Ų133.777%0.76980%0.798SS**  trans-59.1148.216600000110.6
259E29.9Very low28Very low165 Ų165135.7 Ų135.777%0.77181%0.807SS**  168.5130.2122-83.3-60157.800110.4
260E27.5Very low27.5Very low174 Ų174133.9 Ų133.981%0.81380%0.802SS**  trans53.6118.6147.9-101.7174.9166.700124.4
261F24.7Very low27.3Very low204 Ų204139.2 Ų139.290%0.89582%0.818SS**  trans-61.1133.9159.3-85.6-104.9000112.3
262V25.6Very low27.1Very low125 Ų125135.3 Ų135.376%0.75881%0.811SS**  trans-141112.4150.1-175.60000110.6V264V262-V264 HydrophobicContact CG1-CG2 3.98Å
263S24Very low26.9Very low111 Ų111136.3 Ų136.378%0.77681%0.812SS**  trans-74.8129.5165.451.80000110.5
264V24.7Very low26.7Very low125 Ų125136.2 Ų136.276%0.75881%0.813SS**  trans-126.5112.8169.2-177.30000110.4V262V262-V264 HydrophobicContact CG1-CG2 3.98Å
265S25.4Very low26.6Very low110 Ų110139 Ų13977%0.76981%0.813SS**  trans-66.1136.6167.2-40.50000110.2
266V28.5Very low26.7Very low143 Ų143140 Ų14087%0.86781%0.814SS**  trans-95.2111.5176.4-178.20000109.4
267T28Very low26.6Very low126 Ų126137.5 Ų137.577%0.77381%0.807SS**  trans-121.6124.7153.135.30000108.4
268D26.2Very low26.9Very low145 Ų145142.8 Ų142.878%0.77581%0.811SS**  trans11.4127.9154.7-58.2-40.3000118.9
269I28Very low27.2Very low170 Ų170144 Ų14487%0.87281%0.81SS**  -164.1117.5127.3-86.5138.5000107.4
270A26.5Very low27Very low90 Ų90140.7 Ų140.774%0.74481%0.811SS**  trans-107.1116.6155.400000107.1
271H26.3Very low27Very low187 Ų187136.4 Ų136.487%0.86681%0.806SS**  trans176.3119.8137.1-98.9-67.7000111.2
272A25.8Very low27.1Very low91 Ų91135.7 Ų135.775%0.75281%0.805SS**  trans-162.4109.7142.600000109.8
273N27.8Very low27.2Very low165 Ų165134.8 Ų134.888%0.88281%0.805SS**  -167.1129.8119.6-109.713000110.5
274M28.1Very low27.3Very low176 Ų176137.3 Ų137.387%0.86781%0.809SS**  trans-91.9150.7177.4-66.6178.370.700110.2
275E24.9Very low27.9Very low186 Ų186136.6 Ų136.687%0.86981%0.806SS**  -175.4115.9113.3-101177.7170.300113.6
276A26.8Very low27.9Very low90 Ų90137.1 Ų137.174%0.74481%0.81SS**  trans63.3123.4134.600000119.8
277T25.4Very low27.7Very low136 Ų136133.9 Ų133.983%0.83481%0.806SS**  -170.3124.874.2-46.30000111.2
278Q32.3Very low27.5Very low187 Ų187135.6 Ų135.687%0.87481%0.81SS**  trans24.3161.2148.3-80.2-163.12.400126.3
279P35.7Very low27.5Very low117 Ų117133.7 Ų133.776%0.7681%0.808SS**  -124.7170.7-13044.7-33.1000116.8
280A25.7Very low27.5Very low96 Ų96131.3 Ų131.379%0.79380%0.802SS**  trans178.6113145.800000108
281A27.8Very low27.5Very low84 Ų84136.4 Ų136.469%0.69481%0.81SS**  102.6123.676.500000111
282E26.8Very low27.5Very low190 Ų190131.3 Ų131.389%0.88881%0.809SS**  trans66.9146.4155.8-61173.8-179.400116.7
283S26.3Very low27.5Very low106 Ų106134.8 Ų134.874%0.74181%0.814SS**  cis-175.6139.2-5.542.90000105.1
284L26.1Very low27.5Very low164 Ų164131.4 Ų131.486%0.85980%0.804SS**  trans-63158.4157.9-78.3156.3000108.6
285P37.7Very low27.5Very low109 Ų109129.5 Ų129.571%0.70880%0.797SS**  cis-157170.448.739.1-15000119.3
286S25.3Very low27.6Very low122 Ų122128.2 Ų128.285%0.85379%0.791SS**  trans41.4134.1136.1-51.70000122.8
287G23.9Very low27.5Very low75 Ų75132.4 Ų132.477%0.77380%0.8SS**  trans160.192.714700000118.3
288N24.8Very low27.4Very low162 Ų162135.3 Ų135.387%0.86680%0.801SS**  trans27139.5136.4-94.45.1000123.5
289S26.3Very low27.7Very low104 Ų104131.5 Ų131.573%0.72779%0.792SS**  118.5112.9125.474.70000119.6
290T26.4Very low27.3Very low121 Ų121131.6 Ų131.674%0.74279%0.793SS**  trans45.3135.1131.638.20000125.2
291Q27.2Very low27.3Very low196 Ų196132.1 Ų132.192%0.91679%0.791SS**  trans74.5135.2138.4-78.1-179-0.400120.8
292G26Very low27.2Very low81 Ų81140 Ų14084%0.83580%0.803SS**  trans144.2108.1146.800000116
293D26.3Very low27.1Very low163 Ų163136.9 Ų136.987%0.87280%0.796SS**  trans-71.3153.2177-98.7-37.4000115.7
294S28.2Very low27.3Very low95 Ų95137 Ų13766%0.66480%0.797SS**  trans85.6120.5139.374.90000123.3
295N27.8Very low27.7Very low136 Ų136135.4 Ų135.473%0.72780%0.797SS**  98.8117.7127.9-75.2-12.8000123.9
296H26.6Very low27.2Very low158 Ų158139.1 Ų139.173%0.73181%0.805SS**  trans76.3116.2141.9-69.3-58000121.7
297L24.5Very low27.3Very low179 Ų179139.1 Ų139.194%0.93780%0.804SS**  175.8142.3108-84.2158.4000111.7
298K22.8Very low27.3Very low196 Ų196140.8 Ų140.885%0.85281%0.805SS**  trans-93.2-171.8-177.2-121.9-172.2174.5171.10111.1
299P38.8Very low27.4Very low107 Ų107142.6 Ų142.670%0.69581%0.808SS**  cis-125.3-159.2-42.745.1-27.1000109.8
300P27.5Very low27.5Very low120 Ų120143.1 Ų143.178%0.77981%0.811SS**  cis-144.8-179.549.335.7-10000117.7
301S26.3Very low27.7Very low106 Ų106144 Ų14474%0.74181%0.811SS**  trans-56.8152.4-17950.20000119.7
302R26.3Very low28Very low251 Ų251145.9 Ų145.995%0.94781%0.81SS**  trans-167.8153.3131.2-106.1172.5-172.9-159.12113.4
303T23.5Very low28.3Very low123 Ų123150.3 Ų150.376%0.75581%0.809SS**  trans-106.9140.8-163.740.10000113.4
304S32Very low28.7Very low108 Ų108149 Ų14976%0.75581%0.807SS**  trans64.2153.3146.3-42.80000119.4
305P32.7Very low28.7Very low132 Ų132152.6 Ų152.686%0.85782%0.818SS**  -139158.865.833.3-12.5000117.9
306E27.5Very low28.7Very low187 Ų187152 Ų15287%0.87482%0.815SS**  trans-71.8154168.9-68.7159.4126.800113.5
307S27.7Very low28.9Very low121 Ų121150.5 Ų150.585%0.84682%0.819SS**  trans-168.4136.8149.466.60000107.7
308S24.4Very low29.1Very low111 Ų111146 Ų14678%0.77680%0.802SS**  cis-168.1105.2-5.1-1760000103.4
309E27Very low29.5Very low200 Ų200143.2 Ų143.294%0.93580%0.802SS**  trans-88.8122.4168.1-68.3-168.5131.900107.3
310S28Very low29.2Very low114 Ų114146.2 Ų146.280%0.79781%0.811SS**  trans-115.2112.8168.555.30000109
311D31.3Very low29.3Very low140 Ų140149.7 Ų149.775%0.74982%0.817SS**  trans-53.7155.3165.6-74.2-50.9000113.5
312W33.4Very low29.6Very low236 Ų236152.6 Ų152.689%0.89482%0.819SS**  trans163.1132.2139.7-70.7122.3000105.4
313E32.4Very low29.7Very low174 Ų174147.1 Ų147.181%0.81382%0.816SS**  cis-159145.825.3-122165.6-166.300110.6
314T34Very low29.9Very low134 Ų134150.3 Ų150.382%0.82282%0.819SS**PPolyproline II helixtrans-78.1134.5172.5-53.40000109.1D316T314-D316 PolarHBondContact O-N 2.82Å
315L29.1Very low29.7Very low172 Ų172154.2 Ų154.290%0.90183%0.826SS**PPolyproline II helixtrans-77119.3169.6-73.1172.4000110.2
316D26.5Very low29.6Very low122 Ų122153.3 Ų153.365%0.65282%0.819SS**PPolyproline II helixtrans-66130.4174.4-158.9-28000111.2T314 S318T314-D316 PolarHBondContact O-N 2.82Å; D316-S318 VanDerWaalsContact C-N 3.26Å; D316-S318 VanDerWaalsContact CG-OG 3.24Å; D316-S318 PolarHBondContact O-N 3.23Å; D316-S318 PolarHBondContact OD1-OG 2.98Å
317P30.6Very low29.7Very low128 Ų128149.5 Ų149.583%0.83182%0.82SS**  trans-85.823.8-179.333.2-32.9000114.4
318S28.5Very low29.7Very low83 Ų83148.5 Ų148.558%0.5882%0.819SS**  trans-110.567.1-175.455.10000113.5D316D316-S318 VanDerWaalsContact C-N 3.26Å; D316-S318 VanDerWaalsContact CG-OG 3.24Å; D316-S318 PolarHBondContact O-N 3.23Å; D316-S318 PolarHBondContact OD1-OG 2.98Å
319V32.3Very low29.9Very low138 Ų138151 Ų15184%0.83682%0.824SS**  trans-135.676.2156.9-172.10000108.8
320L33.3Very low29.9Very low170 Ų170146.6 Ų146.689%0.8982%0.815SS**  trans-135.984.5160.7-76.4174.6000106.8
321E28.3Very low29.7Very low194 Ų194146.6 Ų146.691%0.90782%0.815SS**  trans-110.3111.1159-76.7-166.216100108.2
322E32.9Very low29.5Very low167 Ų167143.6 Ų143.678%0.7882%0.817SS**PPolyproline II helixtrans-74142.9166.7-62.4-179.915600109.8
323P28.7Very low29.1Very low135 Ų135138.1 Ų138.188%0.87782%0.815SS**PPolyproline II helixtrans-82.3118.7154.716.1-0.6000109.1
324K27.7Very low28.9Very low191 Ų191137.9 Ų137.983%0.8382%0.819SS**PPolyproline II helixtrans-99.5117.6177.3-162.3-176.5-163.2175.10109.1
325E27.7Very low28.5Very low190 Ų190139.2 Ų139.289%0.88882%0.818SS**  trans-152.7158.2163.3-92.2-141.2179.800111.4
326P30.2Very low28.5Very low112 Ų112136.3 Ų136.373%0.72781%0.809SS**  -102.6166.6-113.537.1-37.5000115.6
327A29.6Very low28.5Very low108 Ų108138.6 Ų138.689%0.89382%0.822SS**  trans-57.8134.7175.900000113.2
328A28.1Very low28.4Very low99 Ų99136.6 Ų136.682%0.81882%0.816SS**  trans-137.7124.2159.700000109.4
329D27.7Very low28.7Very low164 Ų164141.8 Ų141.888%0.87783%0.828SS**  trans-60.3139.2167.8-74.3-44000111.2
330S27.5Very low28.6Very low108 Ų108142.2 Ų142.276%0.75583%0.826SS**  170.2125.1128.845.10000113.9
331S24.5Very low28.5Very low114 Ų114138.1 Ų138.180%0.79781%0.811SS**  trans27.8114.714360.60000121.6
332G26.5Very low28.7Very low77 Ų77136.9 Ų136.979%0.79480%0.803SS**  59.5109.3123.100000120.2
333S25.5Very low29.2Very low120 Ų120132.3 Ų132.384%0.83979%0.788SS**  trans-169.9127.9131.137.60000110.6
334D27.9Very low30.4Very low169 Ų169126.6 Ų126.690%0.90475%0.754SS**  trans-62.6127173-73.9-50.6000111.1
335M24.6Very low32.1Very low163 Ų163123.3 Ų123.380%0.80375%0.75SS**  trans-133.8129.2158.9-92.5-67.7-6300107.5D337M335-D337 PolarHBondContact O-N 2.82Å
336P30.1Very low34.3Very low110 Ų110115.8 Ų115.871%0.71472%0.717SS**  trans-74.7125-174.628.2-30.7000110.8A338P336-A338 PolarHBondContact O-N 3.49Å; P336-A338 VanDerWaalsContact O-N 3.1Å
337D26Very low36.3Very low171 Ų171112.6 Ų112.691%0.91469%0.693SS**  trans-55.4106.9167.1-91.5-37.4000110.3M335M335-D337 PolarHBondContact O-N 2.82Å
338A29.5Very low38.3Very low86 Ų86111.1 Ų111.171%0.71167%0.674SS**  trans-102.859.9174.600000110.7P336P336-A338 PolarHBondContact O-N 3.49Å; P336-A338 VanDerWaalsContact O-N 3.1Å
339F33.3Very low40Very low192 Ų192111.4 Ų111.484%0.84267%0.665SS**  trans-152.967.4163.8-87.5-74.3000110.8
340D30Very low42Very low147 Ų147108.6 Ų108.679%0.78665%0.646SS**  trans-101.372.9165.2-155.414.6000108.9K342D340-K342 PolarHBondContact O-N 3.47Å; D340-K342 VanDerWaalsContact O-N 3.08Å
341S32.4Very low43.8Very low83 Ų83107 Ų10758%0.5863%0.634SS**  trans-74.493.6169.5-55.70000107.8
342K33.1Very low45Very low168 Ų168109.2 Ų109.273%0.7364%0.636SS**  trans-49.7126.5172.2-70.5-178178.8177.80109.1D340D340-K342 PolarHBondContact O-N 3.47Å; D340-K342 VanDerWaalsContact O-N 3.08Å
343P43.3Very low45.9Very low72 Ų72109 Ų10947%0.46863%0.633SS.*  trans-57145.9176.122.8-31.5000109.8T345 Q544P343-T345 PolarHBondContact O-N 3.07Å; P343-Q544 HydrophobicContact CB-CG 4.34Å
344G52.9Low46.5Very low15 Ų15109.4 Ų109.416%0.15563%0.631CS.*  trans-56.6112.7176.700000109.7P346 P542G344-P346 WeakPolarHBondContact O-CD 3.44Å; G344-P542 VanDerWaalsContact O-O 3.11Å
345T63.6Low46.7Very low122 Ų122107.6 Ų107.675%0.74863%0.631SS**  trans-62.1126.5179.521.50000109.7P343P343-T345 PolarHBondContact O-N 3.07Å
346P73.4Confident47.2Very low32 Ų32101.9 Ų101.921%0.20861%0.614CS.*  trans-52.3150.2172.2-24.633.4000111.2G344 T348 Y456 F543G344-P346 WeakPolarHBondContact O-CD 3.44Å; P346-T348 PolarHBondContact O-N 3.22Å; P346-Y456 HydrophobicContact CB-CE1 3.87Å; P346-F543 HydrophobicContact CB-CZ 4.06Å; P346-F543 HydrophobicContact CG-CE1 4.03Å; P346-F543 HydrophobicContact CG-CE2 4.06Å; P346-F543 HydrophobicContact CG-CZ 3.5Å
347I73.2Confident47.9Very low44 Ų44105.7 Ų105.723%0.22662%0.622CS.*  trans-73.5101.9179.2-55178.4000108.9V349 W475 W481 A484 Q485 L488I347-V349 WeakPolarHBondContact CG2-O 3.14Å; I347-W475 HydrophobicContact CG2-CZ2 4.45Å; I347-W481 PolarHBondContact O-NE1 3.16Å; I347-A484 HydrophobicContact CD1-CB 3.96Å; I347-Q485 PolarHBondContact O-NE2 3.31Å; I347-L488 HydrophobicContact CD1-CB 4.09Å; I347-L488 HydrophobicContact CG1-CB 4.45Å; I347-L488 HydrophobicContact CG1-CD2 3.97Å
348T71.6Confident49.1Very low78 Ų78100.3 Ų100.348%0.47960%0.602SS.*  trans-101.4-9.1178.454.20000113.3P346 E476P346-T348 PolarHBondContact O-N 3.22Å; T348-E476 VanDerWaalsContact CA-OE1 3.29Å; T348-E476 WeakPolarHBondContact CA-OE1 3.13Å; T348-E476 VanDerWaalsContact CB-OE1 3.32Å; T348-E476 WeakPolarHBondContact CB-OE1 3.48Å
349V63.3Low50.8Low105 Ų10598.4 Ų98.464%0.63659%0.591SS**SBendtrans-121.5137.8179-175.30000108.4I347 P351I347-V349 WeakPolarHBondContact CG2-O 3.14Å; V349-P351 WeakPolarHBondContact O-CD 3.45Å
350Q70.6Confident53Low104 Ų10492.8 Ų92.849%0.48657%0.572SS.*PPolyproline II helixtrans-59.1123.6173-169.9169.62500108.2L352 W475 E480Q350-L352 PolarHBondContact O-N 3.29Å; Q350-W475 VanDerWaalsContact CA-CE2 3.44Å; Q350-W475 HydrophobicContact CB-CD2 3.65Å; Q350-W475 HydrophobicContact CB-CE3 3.94Å; Q350-W475 HydrophobicContact CB-CG 4.01Å; Q350-W475 HydrophobicContact CB-CH2 4.49Å; Q350-W475 HydrophobicContact CB-CZ2 4.23Å; Q350-W475 HydrophobicContact CB-CZ3 4.33Å; Q350-W475 HydrophobicContact CG-CD2 3.86Å; Q350-W475 HydrophobicContact CG-CE3 3.59Å; Q350-W475 HydrophobicContact CG-CH2 3.94Å; Q350-W475 HydrophobicContact CG-CZ2 4.18Å; Q350-W475 HydrophobicContact CG-CZ3 3.62Å; Q350-E480 PolarHBondContact NE2-OE2 2.86Å
351P63.7Low55.5Low76 Ų7691.8 Ų91.849%0.49457%0.565SS.*PPolyproline II helixtrans-52.9130.5174.8-22.631.8000108.4V349 G353V349-P351 WeakPolarHBondContact O-CD 3.45Å; P351-G353 PolarHBondContact O-N 3.03Å
352L49.6Very low58Low160 Ų16094.8 Ų94.884%0.83857%0.57SS**PPolyproline II helixtrans-52.3118.1169.2-103.782.5000105.9Q350 V354Q350-L352 PolarHBondContact O-N 3.29Å; L352-V354 PolarHBondContact O-N 3.11Å
353G45.8Very low60.3Low72 Ų7287.2 Ų87.274%0.74254%0.539SS*.  trans-51.7106.6179.900000107.5P351 S355P351-G353 PolarHBondContact O-N 3.03Å; G353-S355 PolarHBondContact O-N 3.15Å
354V38.4Very low61.9Low129 Ų12991.8 Ų91.878%0.78256%0.559SS**  trans-69.896.2174.2-1730000103.5L352 G356L352-V354 PolarHBondContact O-N 3.11Å; V354-G356 PolarHBondContact O-N 3.08Å
355S32.9Very low63.3Low131 Ų13194.5 Ų94.592%0.91657%0.572SS**  trans-66.58.7172.254.60000112.5G353G353-S355 PolarHBondContact O-N 3.15Å
356G35.5Very low64.2Low43 Ų4389.3 Ų89.344%0.44354%0.541SS..SBendtrans-95.5119.3167.300000109.1V354 A358V354-G356 PolarHBondContact O-N 3.08Å; G356-A358 PolarHBondContact O-N 3.42Å
357Q44.8Very low64.8Low189 Ų18989.7 Ų89.788%0.88355%0.551SS**  trans-37.8108.3158.6-68.9167.8-39.800109.1G359Q357-G359 PolarHBondContact O-N 2.85Å
358A51.1Low65.7Low58 Ų5887.7 Ų87.748%0.47954%0.54SS..  trans-66.294.814800000103.4G356 V360G356-A358 PolarHBondContact O-N 3.42Å; A358-V360 PolarHBondContact O-N 3.36Å
359G64.6Low66.6Low47 Ų4787.9 Ų87.949%0.48554%0.536SS..  trans-53.3114.4-174.500000109Q357Q357-G359 PolarHBondContact O-N 2.85Å
360V79.3Confident67.9Low74 Ų7483.6 Ų83.645%0.44851%0.509SS..  trans-69.2135170.6-86.50000108.2A358 E369 E370A358-V360 PolarHBondContact O-N 3.36Å; V360-E369 HydrophobicContact CB-CB 4.31Å; V360-E370 CarbonylContact C-O 3.52Å; V360-E370 VanDerWaalsContact CA-O 3.27Å; V360-E370 WeakPolarHBondContact CA-O 3.38Å
361I83.1Confident68.9Low125 Ų12580.7 Ų80.764%0.64150%0.497SS*.EExtended strand (participates in β ladder)trans-122.6142.7-177.7-57.3172.5000107.4G363 E370I361-G363 PolarHBondContact O-N 2.92Å; I361-G363 VanDerWaalsContact O-N 3.11Å; I361-E370 PolarHBondContact N-O 2.92Å; I361-E370 PolarHBondContact O-N 2.95Å
362Q84.9Confident70.2Confident147 Ų14781.4 Ų81.469%0.68749%0.494SS*.EExtended strand (participates in β ladder)trans-65.4115.1174.1-167.4171.47.600110.5L364 L368Q362-L364 PolarHBondContact O-N 3.14Å; Q362-L368 CarbonylContact C-O 3.59Å; Q362-L368 WeakPolarHBondContact CA-O 3.36Å
363G79.9Confident72.3Confident8 Ų876.2 Ų76.28%0.08246%0.463CS..  trans-64.3124.7178.100000110.9I361 V365 G367 L368I361-G363 PolarHBondContact O-N 2.92Å; I361-G363 VanDerWaalsContact O-N 3.11Å; G363-V365 VanDerWaalsContact C-N 3.29Å; G363-V365 PolarHBondContact O-N 3.44Å; G363-G367 WeakPolarHBondContact O-CA 3.24Å; G363-G367 PolarHBondContact O-N 3.38Å; G363-L368 PolarHBondContact N-O 2.95Å
364L78.3Confident74.6Confident169 Ų16972.9 Ų72.989%0.88543%0.429SS*.THydrogen-bonded Turntrans-62.3-36.5-172.6-167.777.1000113Q362Q362-L364 PolarHBondContact O-N 3.14Å
365V81Confident77.2Confident71 Ų7166.9 Ų66.943%0.4339%0.392SS..THydrogen-bonded Turntrans-98.5-38.2-174.3-174.10000111.8G363 V525 N529G363-V365 VanDerWaalsContact C-N 3.29Å; G363-V365 PolarHBondContact O-N 3.44Å; V365-V525 HydrophobicContact CB-CG1 4.03Å; V365-V525 HydrophobicContact CG1-CB 4.49Å; V365-V525 HydrophobicContact CG1-CG1 3.79Å; V365-V525 HydrophobicContact CG1-CG2 4.32Å; V365-N529 WeakPolarHBondContact CG2-OD1 3.21Å
366S84.1Confident80.2Confident13 Ų1360.7 Ų60.79%0.09135%0.349CS..THydrogen-bonded Turntrans-79.2-32.5-179.862.30000112.9L368 E370S366-L368 PolarHBondContact O-N 3.21Å; S366-L368 PolarHBondContact OG-N 2.76Å; S366-L368 VanDerWaalsContact OG-N 3.13Å; S366-E370 WeakPolarHBondContact CB-OE1 3.45Å; S366-E370 PolarHBondContact OG-OE1 3.37Å
367G85.4Confident83.1Confident40 Ų4058.8 Ų58.841%0.41233%0.328SS..  trans75.31.3-168.200000114.5G363G363-G367 WeakPolarHBondContact O-CA 3.24Å; G363-G367 PolarHBondContact O-N 3.38Å
368L90.9Very high85.6Confident2 Ų249.8 Ų49.81%0.0129%0.287CS..SBendtrans-86.2159.8-178.2-58.5-175.4000111.8V234 Q362 G363 S366 E370 P376 P378 T381V234-L368 HydrophobicContact CG2-CD2 3.26Å; Q362-L368 CarbonylContact C-O 3.59Å; Q362-L368 WeakPolarHBondContact CA-O 3.36Å; G363-L368 PolarHBondContact N-O 2.95Å; S366-L368 PolarHBondContact O-N 3.21Å; S366-L368 PolarHBondContact OG-N 2.76Å; S366-L368 VanDerWaalsContact OG-N 3.13Å; L368-E370 HydrophobicContact CB-CG 4.24Å; L368-E370 PolarHBondContact O-N 3.49Å; L368-P376 HydrophobicContact CD1-CG 4.32Å; L368-P378 HydrophobicContact CD1-CB 3.85Å; L368-T381 HydrophobicContact CD1-CG2 4.15Å; L368-T381 HydrophobicContact CD2-CG2 4.25Å; L368-T381 HydrophobicContact CG-CG2 4.34Å
369E90.9Very high87.8Confident83 Ų8347 Ų4739%0.38826%0.264SS..EExtended strand (participates in β ladder)trans-80.8105.5167.6-73.3166.1-166.400108.6H231 V360 P376H231-E369 HydrophobicContact CB-CB 4.19Å; H231-E369 IonicContact CE1-OE2 3.61Å; H231-E369 PolarHBondContact CE1-OE2 3.13Å; H231-E369 IonicContact CG-OE2 3.05Å; H231-E369 IonicContact ND1-OE2 3.96Å; H231-E369 PolarHBondContact ND1-OE2 3.33Å; V360-E369 HydrophobicContact CB-CB 4.31Å; E369-P376 WeakPolarHBondContact O-CD 3.5Å
370E91.5Very high89.3Confident15 Ų1544.8 Ų44.87%0.0724%0.241CC..EExtended strand (participates in β ladder)trans-108.4144-171.6-64.8177.317600112.2V360 I361 S366 L368 L375V360-E370 CarbonylContact C-O 3.52Å; V360-E370 VanDerWaalsContact CA-O 3.27Å; V360-E370 WeakPolarHBondContact CA-O 3.38Å; I361-E370 PolarHBondContact N-O 2.92Å; I361-E370 PolarHBondContact O-N 2.95Å; S366-E370 WeakPolarHBondContact CB-OE1 3.45Å; S366-E370 PolarHBondContact OG-OE1 3.37Å; L368-E370 HydrophobicContact CB-CG 4.24Å; L368-E370 PolarHBondContact O-N 3.49Å; E370-L375 CarbonylContact C-O 3.47Å; E370-L375 WeakPolarHBondContact CA-O 3.46Å
371D91.8Very high90Very high43 Ų4341.3 Ų41.323%0.2322%0.22CC..  trans-80.4-178.8171.273.99.8000112.7Y373 G374 L375D371-Y373 PolarHBondContact O-N 2.79Å; D371-Y373 WeakPolarHBondContact OD1-CA 3.21Å; D371-Y373 WeakPolarHBondContact OD1-CB 3.32Å; D371-Y373 PolarHBondContact OD1-N 3.34Å; D371-G374 PolarHBondContact O-N 2.7Å; D371-G374 PolarHBondContact OD1-N 3.23Å; D371-G374 VanDerWaalsContact OD1-N 3.09Å; D371-L375 PolarHBondContact N-O 2.99Å; D371-L375 PolarHBondContact OD1-N 2.89Å
372Q91.4Very high90.4Very high91 Ų9142.5 Ų42.543%0.42522%0.22SC..THydrogen-bonded Turntrans-63.9-10.7179.465.6177.9-10.800115.3G533Q372-G533 WeakPolarHBondContact O-CA 3.42Å; Q372-G533 PolarHBondContact O-N 3.42Å
373Y93.4Very high90.6Very high51 Ų5136.3 Ų36.320%0.220%0.196CC..THydrogen-bonded Turntrans-99.9-3.7176.9-53.9-77.8000111.9D371 H491 W526 G533 M534 I537D371-Y373 PolarHBondContact O-N 2.79Å; D371-Y373 WeakPolarHBondContact OD1-CA 3.21Å; D371-Y373 WeakPolarHBondContact OD1-CB 3.32Å; D371-Y373 PolarHBondContact OD1-N 3.34Å; Y373-H491 AromaticContact CD2-CE1 3.81Å; Y373-H491 AromaticContact CD2-NE2 3.99Å; Y373-H491 AromaticContact CG-CE1 3.89Å; Y373-H491 AromaticContact CG-NE2 3.85Å; Y373-W526 PolarHBondContact O-NE1 3.47Å; Y373-G533 VanDerWaalsContact CE1-C 3.47Å; Y373-G533 WeakPolarHBondContact CE1-O 3.37Å; Y373-M534 HydrophobicContact CD1-CE 4.06Å; Y373-M534 HydrophobicContact CG-CE 4.41Å; Y373-M534 WeakPolarHBondContact O-CE 3.41Å; Y373-I537 HydrophobicContact CD1-CD1 4.43Å; Y373-I537 HydrophobicContact CD1-CG1 4.14Å; Y373-I537 HydrophobicContact CE1-CD1 3.8Å; Y373-I537 HydrophobicContact CE1-CG1 3.86Å
374G92.8Very high91.4Very high1 Ų136 Ų361%0.0119%0.192CC..  trans80.527.5-176.500000113.3D371 W526 H531D371-G374 PolarHBondContact O-N 2.7Å; D371-G374 PolarHBondContact OD1-N 3.23Å; D371-G374 VanDerWaalsContact OD1-N 3.09Å; G374-W526 VanDerWaalsContact O-CD1 3.28Å; G374-H531 WeakPolarHBondContact CA-ND1 3.33Å
375L94.6Very high92.3Very high4 Ų428 Ų282%0.02115%0.151CC..  trans-106.2147.7179.9-59.6-176.2000111.9P226 E370 D371 L377 L490 H491 L494P226-L375 HydrophobicContact CB-CD1 3.73Å; P226-L375 HydrophobicContact CG-CD1 3.74Å; E370-L375 CarbonylContact C-O 3.47Å; E370-L375 WeakPolarHBondContact CA-O 3.46Å; D371-L375 PolarHBondContact N-O 2.99Å; D371-L375 PolarHBondContact OD1-N 2.89Å; L375-L377 HydrophobicContact CD2-CD2 3.97Å; L375-L377 HydrophobicContact CD2-CG 3.72Å; L375-L490 HydrophobicContact CD2-CD2 4.09Å; L375-H491 WeakPolarHBondContact CD1-NE2 3.29Å; L375-L494 HydrophobicContact CD2-CD1 4.02Å
376P95.8Very high93.1Very high1 Ų124.7 Ų24.71%0.00613%0.13CC..SBendcis-70.5148.73.729.1-34.8000113P226 G227 M228 H231 L368 E369P226-P376 WeakPolarHBondContact O-CA 3.5Å; P226-P376 WeakPolarHBondContact O-CB 3.5Å; G227-P376 WeakPolarHBondContact O-CG 3.24Å; M228-P376 HydrophobicContact CE-CB 4.31Å; H231-P376 HydrophobicContact CB-CG 3.98Å; L368-P376 HydrophobicContact CD1-CG 4.32Å; E369-P376 WeakPolarHBondContact O-CD 3.5Å
377L96.7Very high93.8Very high2 Ų224.1 Ų24.11%0.0113%0.126CC..  trans-60.8140.9170.8-71.1179.6000110L199 M228 L375 I379 L490 L494 N522 W526L199-L377 HydrophobicContact CD1-CD1 3.68Å; M228-L377 WeakPolarHBondContact CE-O 3.49Å; L375-L377 HydrophobicContact CD2-CD2 3.97Å; L375-L377 HydrophobicContact CD2-CG 3.72Å; L377-I379 HydrophobicContact CB-CD1 4.26Å; L377-I379 HydrophobicContact CB-CG1 4.03Å; L377-I379 PolarHBondContact O-N 3.21Å; L377-L490 HydrophobicContact CD1-CD1 4Å; L377-L490 HydrophobicContact CD1-CD2 4.07Å; L377-L494 HydrophobicContact CD2-CD1 4.4Å; L377-L494 HydrophobicContact CD2-CD2 4.34Å; L377-N522 HydrophobicContact CB-CB 4.47Å; L377-W526 HydrophobicContact CD2-CB 3.77Å; L377-W526 HydrophobicContact CD2-CD2 4.36Å; L377-W526 HydrophobicContact CD2-CG 3.59Å
378P96.3Very high94.3Very high1 Ų122.2 Ų22.21%0.00611%0.107CC..  trans-78.954.9-175.730.9-33.1000112.8L368 T381 V525L368-P378 HydrophobicContact CD1-CB 3.85Å; P378-T381 HydrophobicContact CB-CG2 3.76Å; P378-T381 PolarHBondContact O-OG1 2.77Å; P378-V525 HydrophobicContact CB-CG1 4.44Å; P378-V525 HydrophobicContact CG-CB 3.75Å; P378-V525 HydrophobicContact CG-CG1 3.6Å
379I97.4Very high94.7Very high0 Ų022.2 Ų22.20%011%0.107CC..THydrogen-bonded Turntrans-65.4-53.7-177.6-67.2173.6000110.3I198 L199 F225 M228 L377 T381 Y384 N522I198-I379 HydrophobicContact CG2-CG2 4.18Å; L199-I379 HydrophobicContact CD1-CD1 4.16Å; F225-I379 HydrophobicContact CD1-CD1 3.75Å; F225-I379 HydrophobicContact CE1-CD1 3.72Å; F225-I379 HydrophobicContact CG-CD1 4.42Å; F225-I379 HydrophobicContact CZ-CD1 4.36Å; M228-I379 HydrophobicContact CE-CB 4.09Å; M228-I379 HydrophobicContact CE-CD1 3.76Å; M228-I379 HydrophobicContact CE-CG1 4.17Å; L377-I379 HydrophobicContact CB-CD1 4.26Å; L377-I379 HydrophobicContact CB-CG1 4.03Å; L377-I379 PolarHBondContact O-N 3.21Å; I379-T381 PolarHBondContact O-N 3Å; I379-T381 VanDerWaalsContact O-N 3.11Å; I379-Y384 HydrophobicContact CG2-CD1 3.69Å; I379-Y384 HydrophobicContact CG2-CE1 3.55Å; I379-Y384 WeakPolarHBondContact O-CB 3.44Å; I379-Y384 WeakPolarHBondContact O-CD1 3.41Å; I379-N522 HydrophobicContact CG1-CB 3.92Å
380F96.9Very high94.9Very high0 Ų018.3 Ų18.30%09%0.088CC..THydrogen-bonded Turntrans-8942.3-176.9-60-71.3000113.2I198 L222 M228 L233 D235 Y384 C386 V407I198-F380 HydrophobicContact CG2-CZ 4.45Å; L222-F380 HydrophobicContact CD1-CE2 3.97Å; L222-F380 HydrophobicContact CD1-CZ 3.9Å; L222-F380 HydrophobicContact CD2-CE2 3.87Å; L222-F380 HydrophobicContact CD2-CZ 3.6Å; L222-F380 HydrophobicContact CG-CE2 4.49Å; L222-F380 HydrophobicContact CG-CZ 4.41Å; M228-F380 HydrophobicContact CG-CE2 4.31Å; M228-F380 HydrophobicContact SD-CD2 3.53Å; M228-F380 VanDerWaalsContact SD-CD2 3.53Å; M228-F380 HydrophobicContact SD-CE2 3.72Å; L233-F380 HydrophobicContact CD2-CD2 3.56Å; L233-F380 HydrophobicContact CD2-CE2 3.9Å; L233-F380 HydrophobicContact CD2-CG 4.16Å; D235-F380 CarbonylContact C-O 3.51Å; D235-F380 WeakPolarHBondContact CB-O 3.44Å; F380-Y384 CarbonylContact C-O 3.52Å; F380-Y384 WeakPolarHBondContact CA-O 3.35Å; F380-Y384 AromaticContact CD1-CD1 3.56Å; F380-Y384 HydrophobicContact CD1-CD1 3.56Å; F380-Y384 AromaticContact CD1-CE1 3.91Å; F380-Y384 HydrophobicContact CD1-CE1 3.91Å; F380-Y384 AromaticContact CE1-CD1 3.78Å; F380-Y384 HydrophobicContact CE1-CD1 3.78Å; F380-Y384 AromaticContact CE1-CE1 3.6Å; F380-Y384 HydrophobicContact CE1-CE1 3.6Å; F380-Y384 HydrophobicContact CG-CD1 4.38Å; F380-Y384 HydrophobicContact CZ-CE1 4.35Å; F380-C386 HydrophobicContact CD1-CB 3.7Å; F380-C386 HydrophobicContact CE1-CB 3.7Å; F380-C386 HydrophobicContact CG-CB 4.16Å; F380-C386 HydrophobicContact CZ-CB 4.15Å; F380-V407 HydrophobicContact CE1-CB 4.12Å; F380-V407 HydrophobicContact CE1-CG2 3.85Å; F380-V407 HydrophobicContact CZ-CB 4.4Å; F380-V407 HydrophobicContact CZ-CG2 4.06Å
381T93.5Very high95.1Very high1 Ų117.6 Ų17.61%0.0069%0.085CC..  trans-116.5161.8175.669.50000110.1L368 P378 I379 G383 Y384 H521L368-T381 HydrophobicContact CD1-CG2 4.15Å; L368-T381 HydrophobicContact CD2-CG2 4.25Å; L368-T381 HydrophobicContact CG-CG2 4.34Å; P378-T381 HydrophobicContact CB-CG2 3.76Å; P378-T381 PolarHBondContact O-OG1 2.77Å; I379-T381 PolarHBondContact O-N 3Å; I379-T381 VanDerWaalsContact O-N 3.11Å; T381-G383 PolarHBondContact O-N 3.36Å; T381-Y384 PolarHBondContact O-N 3.14Å; T381-H521 PolarHBondContact OG1-CD2 3.46Å; T381-H521 VanDerWaalsContact OG1-CD2 3.27Å; T381-H521 PolarHBondContact OG1-NE2 2.78Å; T381-H521 VanDerWaalsContact OG1-NE2 3.1Å
382K90.8Very high95.1Very high149 Ų14918.4 Ų18.465%0.6489%0.089SC*.THydrogen-bonded Turntrans49.454174.7-56-58.1-177.8-168.70113.3R404 H521K382-R404 PolarHBondContact O-NE 3.27Å; K382-H521 WeakPolarHBondContact CG-NE2 3.38Å
383G90.3Very high95.1Very high18 Ų1817.3 Ų17.319%0.1868%0.084CC..THydrogen-bonded Turntrans83.613.117000000115.8T381 R404T381-G383 PolarHBondContact O-N 3.36Å; G383-R404 WeakPolarHBondContact O-CB 3.34Å; G383-R404 PolarHBondContact O-N 3.39Å
384Y96.3Very high95.1Very high1 Ų114.9 Ų14.90%0.0047%0.074CC..EExtended strand (participates in β ladder)trans-96.5111.5166.2-169.8-114.1000110.2E201 K202 I379 F380 T381 R404 G405 F406 V407E201-Y384 VanDerWaalsContact CA-CZ 3.46Å; E201-Y384 WeakPolarHBondContact CA-OH 3.44Å; E201-Y384 HydrophobicContact CB-CD2 4.1Å; E201-Y384 HydrophobicContact CB-CE1 4.37Å; E201-Y384 HydrophobicContact CB-CE2 3.97Å; E201-Y384 HydrophobicContact CB-CG 4.4Å; E201-Y384 WeakPolarHBondContact O-CE2 3.49Å; K202-Y384 PolarHBondContact N-OH 2.97Å; K202-Y384 WeakPolarHBondContact O-CE2 3.49Å; K202-Y384 PolarHBondContact O-OH 3.36Å; I379-Y384 HydrophobicContact CG2-CD1 3.69Å; I379-Y384 HydrophobicContact CG2-CE1 3.55Å; I379-Y384 WeakPolarHBondContact O-CB 3.44Å; I379-Y384 WeakPolarHBondContact O-CD1 3.41Å; F380-Y384 CarbonylContact C-O 3.52Å; F380-Y384 WeakPolarHBondContact CA-O 3.35Å; F380-Y384 AromaticContact CD1-CD1 3.56Å; F380-Y384 HydrophobicContact CD1-CD1 3.56Å; F380-Y384 AromaticContact CD1-CE1 3.91Å; F380-Y384 HydrophobicContact CD1-CE1 3.91Å; F380-Y384 AromaticContact CE1-CD1 3.78Å; F380-Y384 HydrophobicContact CE1-CD1 3.78Å; F380-Y384 AromaticContact CE1-CE1 3.6Å; F380-Y384 HydrophobicContact CE1-CE1 3.6Å; F380-Y384 HydrophobicContact CG-CD1 4.38Å; F380-Y384 HydrophobicContact CZ-CE1 4.35Å; T381-Y384 PolarHBondContact O-N 3.14Å; Y384-R404 VanDerWaalsContact CB-NH2 3.31Å; Y384-G405 WeakPolarHBondContact CA-O 3.41Å; Y384-G405 VanDerWaalsContact CD2-CA 3.42Å; Y384-G405 WeakPolarHBondContact CD2-O 3.38Å; Y384-G405 VanDerWaalsContact CE2-C 3.44Å; Y384-F406 VanDerWaalsContact CE2-N 3.28Å; Y384-V407 HydrophobicContact CE1-CG2 4.09Å; Y384-V407 WeakPolarHBondContact OH-CG2 3.33Å
385L97.1Very high95Very high2 Ų217.4 Ų17.41%0.019%0.086CC..EExtended strand (participates in β ladder)trans-90.6144.9-167.9-55.6-179000112.5S236 Y239 L387 V403 G405 F406 V407S236-L385 CarbonylContact O-C 3.29Å; S236-L385 VanDerWaalsContact O-CA 3.26Å; S236-L385 WeakPolarHBondContact O-CA 3.44Å; Y239-L385 HydrophobicContact CD1-CD1 4.18Å; Y239-L385 HydrophobicContact CD1-CD2 4.41Å; L385-L387 HydrophobicContact CB-CG 4.22Å; L385-L387 HydrophobicContact CD1-CD1 4.4Å; L385-V403 HydrophobicContact CD1-CB 4.5Å; L385-V403 HydrophobicContact CD1-CG1 3.87Å; L385-V403 HydrophobicContact CD1-CG2 3.76Å; L385-V403 HydrophobicContact CG-CG1 4.09Å; L385-V403 HydrophobicContact CG-CG2 4.47Å; L385-G405 PolarHBondContact N-O 2.73Å; L385-F406 HydrophobicContact CB-CB 4.13Å; L385-F406 CarbonylContact O-C 3.59Å; L385-F406 VanDerWaalsContact O-CA 3.24Å; L385-F406 WeakPolarHBondContact O-CA 3.38Å; L385-V407 PolarHBondContact O-N 2.99Å
386C97.8Very high94.8Very high0 Ų018.8 Ų18.80%09%0.092CC..EExtended strand (participates in β ladder)trans-107.8119.8159.5-178.80000107.9H76 L222 L233 S236 F380H76-C386 PolarHBondContact ND1-O 2.82Å; L222-C386 WeakPolarHBondContact CD1-SG 3.41Å; L233-C386 HydrophobicContact CD2-CB 4.02Å; S236-C386 PolarHBondContact O-N 3.4Å; F380-C386 HydrophobicContact CD1-CB 3.7Å; F380-C386 HydrophobicContact CE1-CB 3.7Å; F380-C386 HydrophobicContact CG-CB 4.16Å; F380-C386 HydrophobicContact CZ-CB 4.15Å
387L97.5Very high94.6Very high2 Ų218.8 Ų18.81%0.019%0.092CC..EExtended strand (participates in β ladder)trans-125.884.8178.1-59.1174.6000107.7Y239 L385 Y389 M390 L397 V407 A408 G409Y239-L387 HydrophobicContact CE1-CD2 4.48Å; L385-L387 HydrophobicContact CB-CG 4.22Å; L385-L387 HydrophobicContact CD1-CD1 4.4Å; L387-Y389 PolarHBondContact O-N 2.94Å; L387-M390 HydrophobicContact CD1-CE 3.66Å; L387-L397 HydrophobicContact CD1-CD1 4.31Å; L387-V407 PolarHBondContact N-O 2.81Å; L387-A408 HydrophobicContact CB-CB 4.02Å; L387-A408 HydrophobicContact CD1-CB 4.37Å; L387-A408 CarbonylContact O-C 3.44Å; L387-A408 VanDerWaalsContact O-CA 3.26Å; L387-A408 WeakPolarHBondContact O-CA 3.28Å; L387-G409 PolarHBondContact O-N 3.18Å
388P97.8Very high94.3Very high0 Ų018.9 Ų18.90%09%0.093CC..SBendtrans-52.8-37.7-175.1-2432000111.9H76 V215 M219 G409H76-P388 WeakPolarHBondContact NE2-CG 3.28Å; V215-P388 HydrophobicContact CG1-CB 4.4Å; M219-P388 HydrophobicContact CG-CB 4.41Å; M219-P388 HydrophobicContact SD-CB 3.87Å; M219-P388 HydrophobicContact SD-CG 3.61Å; P388-G409 WeakPolarHBondContact O-CA 3.49Å
389Y98.1Very high94Very high2 Ų222.2 Ų22.21%0.00812%0.116CC..SBendtrans-131138.9163.2178.6-106.9000110.6L59 P62 D63 V73 Y74 V211 L214 L387 A391 G409 T411L59-Y389 HydrophobicContact CD2-CD1 3.8Å; L59-Y389 HydrophobicContact CD2-CE1 4.34Å; L59-Y389 WeakPolarHBondContact CD2-O 3.33Å; P62-Y389 WeakPolarHBondContact CA-OH 3.45Å; P62-Y389 HydrophobicContact CB-CD1 4.23Å; P62-Y389 HydrophobicContact CB-CE1 3.48Å; P62-Y389 VanDerWaalsContact CB-CE1 3.48Å; P62-Y389 HydrophobicContact CB-CE2 3.86Å; P62-Y389 VanDerWaalsContact CB-OH 3.28Å; P62-Y389 WeakPolarHBondContact CB-OH 3.27Å; D63-Y389 PolarHBondContact N-OH 3.1Å; V73-Y389 VanDerWaalsContact CG2-CB 3.47Å; V73-Y389 HydrophobicContact CG2-CD1 3.91Å; V73-Y389 HydrophobicContact CG2-CD2 4.37Å; V73-Y389 HydrophobicContact CG2-CG 3.65Å; Y74-Y389 WeakPolarHBondContact O-CB 3.42Å; Y74-Y389 PolarHBondContact O-N 3.11Å; V211-Y389 HydrophobicContact CG2-CD2 3.65Å; V211-Y389 HydrophobicContact CG2-CE2 4.09Å; V211-Y389 HydrophobicContact CG2-CG 4.21Å; L214-Y389 HydrophobicContact CD2-CD2 4.13Å; L387-Y389 PolarHBondContact O-N 2.94Å; Y389-A391 HydrophobicContact CE1-CB 4.05Å; Y389-G409 CarbonylContact C-O 3.52Å; Y389-G409 WeakPolarHBondContact CA-O 3.46Å; Y389-T411 HydrophobicContact CE2-CG2 4.03Å
390M95.6Very high93.7Very high1 Ų123.6 Ų23.61%0.00512%0.123CC..  trans-118.2125.7172.2178.9-175.5-114.100109L387 Q394 L397 L398 G409 F415L387-M390 HydrophobicContact CD1-CE 3.66Å; M390-Q394 HydrophobicContact CE-CB 4.09Å; M390-Q394 WeakPolarHBondContact CE-O 3.45Å; M390-Q394 HydrophobicContact CG-CB 3.84Å; M390-L397 HydrophobicContact CE-CB 3.75Å; M390-L397 HydrophobicContact CE-CD1 4.16Å; M390-L397 HydrophobicContact CE-CG 4.41Å; M390-L398 HydrophobicContact CE-CD2 3.63Å; M390-L398 HydrophobicContact CE-CG 3.89Å; M390-L398 HydrophobicContact SD-CD1 4.21Å; M390-L398 HydrophobicContact SD-CD2 3.74Å; M390-L398 HydrophobicContact SD-CG 3.96Å; M390-G409 PolarHBondContact N-O 3.04Å; M390-F415 HydrophobicContact CG-CE1 4.33Å; M390-F415 HydrophobicContact CG-CZ 4.01Å; M390-F415 HydrophobicContact SD-CD1 4.37Å; M390-F415 HydrophobicContact SD-CE1 3.49Å; M390-F415 WeakPolarHBondContact SD-CE1 3.35Å; M390-F415 HydrophobicContact SD-CZ 3.79Å
391A94.8Very high93.2Very high0 Ų030.4 Ų30.40%017%0.165CC..  trans-82.8156.5172.900000111.1F58 L59 Y389 Q393 Q394F58-A391 HydrophobicContact CB-CB 3.72Å; L59-A391 HydrophobicContact CD2-CB 4.33Å; Y389-A391 HydrophobicContact CE1-CB 4.05Å; A391-Q393 PolarHBondContact O-N 3.25Å; A391-Q393 VanDerWaalsContact O-N 3.1Å; A391-Q394 VanDerWaalsContact N-OE1 3.12Å; A391-Q394 WeakPolarHBondContact O-CB 3.43Å; A391-Q394 PolarHBondContact O-N 2.92Å
392L92.5Very high93Very high59 Ų5934.7 Ų34.731%0.30919%0.191SC..G310 helixtrans-55.3-32178.4-173.963.9000113.3D63 Q394 H395 L414 F415D63-L392 VanDerWaalsContact OD2-CB 3.3Å; D63-L392 WeakPolarHBondContact OD2-CB 3.27Å; D63-L392 PolarHBondContact OD2-N 3.25Å; L392-Q394 PolarHBondContact O-N 3.26Å; L392-H395 WeakPolarHBondContact O-CB 3.17Å; L392-H395 PolarHBondContact O-N 2.84Å; L392-L414 HydrophobicContact CD1-CB 4.38Å; L392-L414 HydrophobicContact CD1-CD1 3.78Å; L392-L414 HydrophobicContact CD2-CD1 3.95Å; L392-F415 HydrophobicContact CD1-CE2 4.23Å; L392-F415 HydrophobicContact CD1-CZ 4.37Å
393Q92.3Very high93Very high68 Ų6828 Ų2832%0.31816%0.162SC..G310 helixtrans-65.2-20.7178.9-63.876.65.300112.8Y55 F58 A391 H396Y55-Q393 HydrophobicContact CD1-CB 3.71Å; Y55-Q393 HydrophobicContact CE1-CB 3.72Å; Y55-Q393 WeakPolarHBondContact CE1-O 3.49Å; F58-Q393 VanDerWaalsContact CD1-CD 3.43Å; F58-Q393 HydrophobicContact CD1-CG 4.13Å; F58-Q393 HydrophobicContact CD2-CB 4.3Å; F58-Q393 HydrophobicContact CD2-CG 3.88Å; F58-Q393 HydrophobicContact CE1-CG 4.24Å; F58-Q393 HydrophobicContact CE2-CG 4.01Å; F58-Q393 VanDerWaalsContact CG-CD 3.45Å; F58-Q393 HydrophobicContact CG-CG 3.94Å; F58-Q393 HydrophobicContact CZ-CG 4.18Å; A391-Q393 PolarHBondContact O-N 3.25Å; A391-Q393 VanDerWaalsContact O-N 3.1Å; Q393-H396 PolarHBondContact O-ND1 2.99Å
394Q92.8Very high93.2Very high0 Ų031.4 Ų31.40%017%0.17CC..G310 helixtrans-925.6176.3-67.9172.9-5700113.3Y55 L59 Y239 M390 A391 L392 H396 L397Y55-Q394 HydrophobicContact CD1-CG 4.03Å; Y55-Q394 HydrophobicContact CD2-CG 3.59Å; Y55-Q394 HydrophobicContact CE1-CG 4.43Å; Y55-Q394 HydrophobicContact CE2-CG 4.02Å; Y55-Q394 HydrophobicContact CG-CG 3.6Å; L59-Q394 VanDerWaalsContact CD2-OE1 3.23Å; Y239-Q394 PolarHBondContact OH-NE2 3.18Å; Y239-Q394 VanDerWaalsContact OH-NE2 3.09Å; M390-Q394 HydrophobicContact CE-CB 4.09Å; M390-Q394 WeakPolarHBondContact CE-O 3.45Å; M390-Q394 HydrophobicContact CG-CB 3.84Å; A391-Q394 VanDerWaalsContact N-OE1 3.12Å; A391-Q394 WeakPolarHBondContact O-CB 3.43Å; A391-Q394 PolarHBondContact O-N 2.92Å; L392-Q394 PolarHBondContact O-N 3.26Å; Q394-H396 PolarHBondContact O-N 2.83Å; Q394-L397 HydrophobicContact CB-CD1 4.1Å; Q394-L397 HydrophobicContact CG-CD1 4.47Å; Q394-L397 WeakPolarHBondContact O-CB 3.47Å; Q394-L397 WeakPolarHBondContact O-CG 3.38Å; Q394-L397 PolarHBondContact O-N 3.06Å
395H91.3Very high93.1Very high55 Ų5531.4 Ų31.426%0.25517%0.169SC..G310 helixtrans-49.1-37.4-178.1172.2-89.9000114.2L392 L397 L398 F415 Q418L392-H395 WeakPolarHBondContact O-CB 3.17Å; L392-H395 PolarHBondContact O-N 2.84Å; H395-L397 PolarHBondContact O-N 3.33Å; H395-L397 VanDerWaalsContact O-N 3.09Å; H395-L398 WeakPolarHBondContact O-CB 3.37Å; H395-L398 WeakPolarHBondContact O-CG 3.25Å; H395-L398 PolarHBondContact O-N 3.29Å; H395-F415 HydrophobicContact CB-CE1 4.31Å; H395-F415 HydrophobicContact CB-CZ 4.49Å; H395-F415 AromaticContact CD2-CE1 3.95Å; H395-Q418 PolarHBondContact CD2-OE1 3.13Å; H395-Q418 PolarHBondContact NE2-OE1 3.47Å
396H90.3Very high93.1Very high33 Ų3331.4 Ų31.415%0.15317%0.169CC..G310 helixtrans-55.8-28.1179.467.4-80.8000114Y55 Q393 Q394 L398 S399 D400Y55-H396 AromaticContact CE2-CE1 3.79Å; Y55-H396 AromaticContact CZ-CE1 3.57Å; Y55-H396 PolarHBondContact OH-CE1 2.84Å; Q393-H396 PolarHBondContact O-ND1 2.99Å; Q394-H396 PolarHBondContact O-N 2.83Å; H396-L398 PolarHBondContact O-N 2.8Å; H396-S399 PolarHBondContact O-N 2.93Å; H396-D400 PolarHBondContact O-N 3.09Å
397L91.2Very high93.2Very high1 Ų131.4 Ų31.41%0.00517%0.169CC..G310 helixtrans-64.2-25.9179.6-61177.4000112.6Y239 L387 M390 Q394 H395 S399 D400Y239-L397 HydrophobicContact CD1-CD1 4.28Å; Y239-L397 HydrophobicContact CD2-CD1 4.05Å; Y239-L397 HydrophobicContact CD2-CD2 3.52Å; Y239-L397 HydrophobicContact CD2-CG 4.44Å; Y239-L397 HydrophobicContact CE1-CD1 4.12Å; Y239-L397 HydrophobicContact CE2-CD1 3.86Å; Y239-L397 HydrophobicContact CE2-CD2 3.99Å; Y239-L397 HydrophobicContact CG-CD1 4.26Å; Y239-L397 HydrophobicContact CG-CD2 3.94Å; L387-L397 HydrophobicContact CD1-CD1 4.31Å; M390-L397 HydrophobicContact CE-CB 3.75Å; M390-L397 HydrophobicContact CE-CD1 4.16Å; M390-L397 HydrophobicContact CE-CG 4.41Å; Q394-L397 HydrophobicContact CB-CD1 4.1Å; Q394-L397 HydrophobicContact CG-CD1 4.47Å; Q394-L397 WeakPolarHBondContact O-CB 3.47Å; Q394-L397 WeakPolarHBondContact O-CG 3.38Å; Q394-L397 PolarHBondContact O-N 3.06Å; H395-L397 PolarHBondContact O-N 3.33Å; H395-L397 VanDerWaalsContact O-N 3.09Å; L397-S399 PolarHBondContact O-N 2.88Å; L397-D400 PolarHBondContact O-N 2.95Å
398L90.3Very high93.2Very high4 Ų431.3 Ų31.32%0.02117%0.169CC..G310 helixtrans-68.4-24.2179.8-57.5-177.5000112.9M390 H395 H396 F406 F415 L421M390-L398 HydrophobicContact CE-CD2 3.63Å; M390-L398 HydrophobicContact CE-CG 3.89Å; M390-L398 HydrophobicContact SD-CD1 4.21Å; M390-L398 HydrophobicContact SD-CD2 3.74Å; M390-L398 HydrophobicContact SD-CG 3.96Å; H395-L398 WeakPolarHBondContact O-CB 3.37Å; H395-L398 WeakPolarHBondContact O-CG 3.25Å; H395-L398 PolarHBondContact O-N 3.29Å; H396-L398 PolarHBondContact O-N 2.8Å; L398-F406 HydrophobicContact CB-CE1 4.36Å; L398-F406 HydrophobicContact CD2-CD1 4.04Å; L398-F406 HydrophobicContact CD2-CD2 4.23Å; L398-F406 HydrophobicContact CD2-CE1 3.52Å; L398-F406 HydrophobicContact CD2-CE2 3.75Å; L398-F406 HydrophobicContact CD2-CG 4.37Å; L398-F406 HydrophobicContact CD2-CZ 3.39Å; L398-F415 HydrophobicContact CD1-CD1 3.5Å; L398-F415 VanDerWaalsContact CD1-CD1 3.5Å; L398-F415 HydrophobicContact CD1-CE1 3.57Å; L398-F415 HydrophobicContact CG-CE1 4.49Å; L398-L421 HydrophobicContact CB-CB 4.27Å; L398-L421 HydrophobicContact CB-CD1 4.18Å; L398-L421 HydrophobicContact CD1-CD1 4.26Å
399S89.6Confident93.2Very high71 Ų7131.3 Ų31.350%0.49717%0.169SC..G310 helixtrans-110.54.3-179.4-53.20000112.8H396 L397 L421H396-S399 PolarHBondContact O-N 2.93Å; L397-S399 PolarHBondContact O-N 2.88Å; S399-L421 WeakPolarHBondContact OG-CD2 3.3Å
400D90.4Very high93.1Very high28 Ų2831.2 Ų31.215%0.1517%0.169CC..  trans-74.3130.9-177-163.7-48.2000110.8H396 L397 T402 V403H396-D400 PolarHBondContact O-N 3.09Å; L397-D400 PolarHBondContact O-N 2.95Å; D400-T402 PolarHBondContact O-N 3.24Å; D400-T402 WeakPolarHBondContact OD1-CB 3.45Å; D400-T402 PolarHBondContact OD1-N 2.73Å; D400-T402 PolarHBondContact OD1-OG1 2.83Å; D400-V403 HydrophobicContact CB-CB 4.29Å; D400-V403 HydrophobicContact CB-CG2 3.89Å; D400-V403 PolarHBondContact O-N 2.94Å
401V87.6Confident93.1Very high144 Ų14431.8 Ų31.887%0.87317%0.172SC*.THydrogen-bonded Turntrans-70-21.8-179.2-62.70000112.9V403V401-V403 VanDerWaalsContact C-N 3.31Å
402T87.9Confident92.9Very high91 Ų9133.2 Ų33.256%0.55818%0.18SC*.THydrogen-bonded Turntrans-80.4-17.7176.767.60000112.2D400 R404D400-T402 PolarHBondContact O-N 3.24Å; D400-T402 WeakPolarHBondContact OD1-CB 3.45Å; D400-T402 PolarHBondContact OD1-N 2.73Å; D400-T402 PolarHBondContact OD1-OG1 2.83Å; T402-R404 PolarHBondContact O-N 3.21Å
403V92.4Very high92.8Very high8 Ų833.6 Ų33.65%0.04818%0.182CC..  trans-89103176.5178.20000109.2L385 D400 V401 G405 F406L385-V403 HydrophobicContact CD1-CB 4.5Å; L385-V403 HydrophobicContact CD1-CG1 3.87Å; L385-V403 HydrophobicContact CD1-CG2 3.76Å; L385-V403 HydrophobicContact CG-CG1 4.09Å; L385-V403 HydrophobicContact CG-CG2 4.47Å; D400-V403 HydrophobicContact CB-CB 4.29Å; D400-V403 HydrophobicContact CB-CG2 3.89Å; D400-V403 PolarHBondContact O-N 2.94Å; V401-V403 VanDerWaalsContact C-N 3.31Å; V403-G405 VanDerWaalsContact C-N 3.28Å; V403-G405 WeakPolarHBondContact CG1-O 3.18Å; V403-G405 PolarHBondContact O-N 3.29Å; V403-F406 HydrophobicContact CG1-CD1 4.31Å
404R93.4Very high92.7Very high90 Ų9033.7 Ų33.734%0.3418%0.184SC..  trans-62.5-36.7179.1-175.1175.86585.3-15.9112.1E201 K382 G383 Y384 T402E201-R404 VanDerWaalsContact CB-NH1 3.34Å; E201-R404 IonicContact OE1-NH1 3.98Å; E201-R404 IonicContact OE1-NH2 3.31Å; E201-R404 PolarHBondContact OE1-NH2 3.05Å; E201-R404 IonicContact OE2-CZ 3.63Å; E201-R404 VanDerWaalsContact OE2-CZ 3.31Å; E201-R404 IonicContact OE2-NH1 2.64Å; E201-R404 PolarHBondContact OE2-NH1 3.02Å; E201-R404 IonicContact OE2-NH2 3.74Å; E201-R404 PolarHBondContact OE2-NH2 2.79Å; K382-R404 PolarHBondContact O-NE 3.27Å; G383-R404 WeakPolarHBondContact O-CB 3.34Å; G383-R404 PolarHBondContact O-N 3.39Å; Y384-R404 VanDerWaalsContact CB-NH2 3.31Å; T402-R404 PolarHBondContact O-N 3.21Å
405G95.1Very high92.6Very high0 Ų033.9 Ų33.90%019%0.185CC..EExtended strand (participates in β ladder)trans-177.8-178.5174.400000110.6Y384 L385 V403Y384-G405 WeakPolarHBondContact CA-O 3.41Å; Y384-G405 VanDerWaalsContact CD2-CA 3.42Å; Y384-G405 WeakPolarHBondContact CD2-O 3.38Å; Y384-G405 VanDerWaalsContact CE2-C 3.44Å; L385-G405 PolarHBondContact N-O 2.73Å; V403-G405 VanDerWaalsContact C-N 3.28Å; V403-G405 WeakPolarHBondContact CG1-O 3.18Å; V403-G405 PolarHBondContact O-N 3.29Å
406F97.4Very high92.3Very high2 Ų234.5 Ų34.51%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-156.3154.6-179.556.5-98.1000112.2K202 K203 V204 Y384 L385 L398 V403 A408K202-F406 VanDerWaalsContact O-O 3.09Å; K203-F406 WeakPolarHBondContact CA-O 3.47Å; K203-F406 HydrophobicContact CB-CD1 4.34Å; K203-F406 HydrophobicContact CB-CE1 3.79Å; K203-F406 HydrophobicContact CB-CE2 4.17Å; K203-F406 HydrophobicContact CB-CZ 3.67Å; K203-F406 HydrophobicContact CD-CD1 4.44Å; K203-F406 HydrophobicContact CD-CE1 3.78Å; K203-F406 HydrophobicContact CD-CZ 4.34Å; K203-F406 HydrophobicContact CG-CD1 4.01Å; K203-F406 HydrophobicContact CG-CE1 3.67Å; K203-F406 HydrophobicContact CG-CZ 4.11Å; V204-F406 PolarHBondContact N-O 3.41Å; Y384-F406 VanDerWaalsContact CE2-N 3.28Å; L385-F406 HydrophobicContact CB-CB 4.13Å; L385-F406 CarbonylContact O-C 3.59Å; L385-F406 VanDerWaalsContact O-CA 3.24Å; L385-F406 WeakPolarHBondContact O-CA 3.38Å; L398-F406 HydrophobicContact CB-CE1 4.36Å; L398-F406 HydrophobicContact CD2-CD1 4.04Å; L398-F406 HydrophobicContact CD2-CD2 4.23Å; L398-F406 HydrophobicContact CD2-CE1 3.52Å; L398-F406 HydrophobicContact CD2-CE2 3.75Å; L398-F406 HydrophobicContact CD2-CG 4.37Å; L398-F406 HydrophobicContact CD2-CZ 3.39Å; V403-F406 HydrophobicContact CG1-CD1 4.31Å; F406-A408 HydrophobicContact CD2-CB 3.64Å; F406-A408 HydrophobicContact CE2-CB 4.22Å; F406-A408 HydrophobicContact CG-CB 4.45Å
407V98.3Very high92.2Very high0 Ų039.1 Ų39.10%021%0.207CC..EExtended strand (participates in β ladder)trans-112109.5156.1-176.50000106.6I198 V204 F206 L218 F380 Y384 L385 L387I198-V407 HydrophobicContact CG1-CG2 3.96Å; I198-V407 HydrophobicContact CG2-CG2 4.4Å; V204-V407 WeakPolarHBondContact O-CA 3.36Å; F206-V407 HydrophobicContact CD2-CG1 4.18Å; F206-V407 HydrophobicContact CE2-CG1 3.84Å; L218-V407 HydrophobicContact CD1-CG1 4Å; L218-V407 HydrophobicContact CD2-CG1 4.27Å; L218-V407 HydrophobicContact CG-CG1 3.96Å; F380-V407 HydrophobicContact CE1-CB 4.12Å; F380-V407 HydrophobicContact CE1-CG2 3.85Å; F380-V407 HydrophobicContact CZ-CB 4.4Å; F380-V407 HydrophobicContact CZ-CG2 4.06Å; Y384-V407 HydrophobicContact CE1-CG2 4.09Å; Y384-V407 WeakPolarHBondContact OH-CG2 3.33Å; L385-V407 PolarHBondContact O-N 2.99Å; L387-V407 PolarHBondContact N-O 2.81Å
408A97.8Very high91.9Very high0 Ų042.3 Ų42.30%022%0.221CC..EExtended strand (participates in β ladder)trans-126.2143.2-173.600000111.6V204 L205 F206 L387 F406V204-A408 PolarHBondContact O-N 3.27Å; L205-A408 CarbonylContact C-O 3.41Å; L205-A408 WeakPolarHBondContact CA-O 3.26Å; L205-A408 HydrophobicContact CD1-CB 4.24Å; F206-A408 PolarHBondContact N-O 3.31Å; L387-A408 HydrophobicContact CB-CB 4.02Å; L387-A408 HydrophobicContact CD1-CB 4.37Å; L387-A408 CarbonylContact O-C 3.44Å; L387-A408 VanDerWaalsContact O-CA 3.26Å; L387-A408 WeakPolarHBondContact O-CA 3.28Å; F406-A408 HydrophobicContact CD2-CB 3.64Å; F406-A408 HydrophobicContact CE2-CB 4.22Å; F406-A408 HydrophobicContact CG-CB 4.45Å
409G97.7Very high91.6Very high0 Ų046.7 Ų46.70%024%0.238CC..EExtended strand (participates in β ladder)trans-104.7137.216900000111.6F206 L387 P388 Y389 M390F206-G409 WeakPolarHBondContact O-CA 3.28Å; L387-G409 PolarHBondContact O-N 3.18Å; P388-G409 WeakPolarHBondContact O-CA 3.49Å; Y389-G409 CarbonylContact C-O 3.52Å; Y389-G409 WeakPolarHBondContact CA-O 3.46Å; M390-G409 PolarHBondContact N-O 3.04Å
410A96.4Very high91.5Very high0 Ų050.2 Ų50.20%025%0.246CC..EExtended strand (participates in β ladder)trans-139144.1170.500000112.9L205 F206 Y207 F415L205-A410 HydrophobicContact CD1-CB 4.08Å; F206-A410 PolarHBondContact O-N 3.08Å; Y207-A410 WeakPolarHBondContact CA-O 3.43Å; Y207-A410 WeakPolarHBondContact CD2-O 3.12Å; A410-F415 HydrophobicContact CB-CB 3.94Å; A410-F415 HydrophobicContact CB-CD2 3.36Å; A410-F415 HydrophobicContact CB-CE2 3.91Å; A410-F415 HydrophobicContact CB-CG 3.71Å
411T95.1Very high91.5Very high13 Ų1350 Ų508%0.0824%0.244CC..  trans-95-22.1172.956.40000112.4D63 Y207 V208 V211 L214 Y389D63-T411 PolarHBondContact O-OG1 3.01Å; D63-T411 VanDerWaalsContact O-OG1 3.11Å; Y207-T411 WeakPolarHBondContact CE2-O 3.47Å; V208-T411 WeakPolarHBondContact O-CG2 2.91Å; V211-T411 HydrophobicContact CB-CG2 3.73Å; V211-T411 HydrophobicContact CG2-CG2 3.91Å; L214-T411 HydrophobicContact CD2-CG2 3.96Å; Y389-T411 HydrophobicContact CE2-CG2 4.03Å
412N92.3Very high91.8Very high31 Ų3143.4 Ų43.417%0.16621%0.205CC..SBendtrans-79.6126.7-173.9-169.3-39.6000111.5D63 L414 F415D63-N412 HydrophobicContact CB-CB 4.29Å; D63-N412 PolarHBondContact OD2-ND2 3.16Å; N412-L414 PolarHBondContact O-N 2.84Å; N412-L414 VanDerWaalsContact O-N 3.08Å; N412-L414 WeakPolarHBondContact OD1-CB 3.36Å; N412-L414 VanDerWaalsContact OD1-CG 3.32Å; N412-L414 WeakPolarHBondContact OD1-CG 3.39Å; N412-L414 PolarHBondContact OD1-N 3.31Å; N412-F415 HydrophobicContact CB-CD2 3.94Å; N412-F415 HydrophobicContact CB-CE2 4.17Å; N412-F415 PolarHBondContact O-N 3.37Å
413I90.4Very high92.2Very high67 Ų6741.7 Ų41.734%0.34419%0.192SC..Hα-helixtrans-57.3-25.6-176.8-170.964.3000113.5Y207 F415 R416 Q417Y207-I413 WeakPolarHBondContact OH-CD1 3.19Å; I413-F415 PolarHBondContact O-N 2.75Å; I413-R416 HydrophobicContact CD1-CB 4.16Å; I413-R416 HydrophobicContact CD1-CG 4.41Å; I413-R416 WeakPolarHBondContact O-CB 3.48Å; I413-R416 PolarHBondContact O-N 3.12Å; I413-Q417 HydrophobicContact CG1-CG 4.38Å; I413-Q417 PolarHBondContact O-N 3.49Å
414L89.7Confident92.5Very high70 Ų7041.3 Ų41.337%0.36619%0.19SC..Hα-helixtrans-58.1-38.3179.3-66.9175.3000112.1L392 N412 R416 Q417 Q418L392-L414 HydrophobicContact CD1-CB 4.38Å; L392-L414 HydrophobicContact CD1-CD1 3.78Å; L392-L414 HydrophobicContact CD2-CD1 3.95Å; N412-L414 PolarHBondContact O-N 2.84Å; N412-L414 VanDerWaalsContact O-N 3.08Å; N412-L414 WeakPolarHBondContact OD1-CB 3.36Å; N412-L414 VanDerWaalsContact OD1-CG 3.32Å; N412-L414 WeakPolarHBondContact OD1-CG 3.39Å; N412-L414 PolarHBondContact OD1-N 3.31Å; L414-R416 VanDerWaalsContact C-N 3.32Å; L414-R416 PolarHBondContact O-N 3.37Å; L414-Q417 PolarHBondContact O-N 2.89Å; L414-Q418 PolarHBondContact O-N 3.06Å; L414-Q418 VanDerWaalsContact O-N 3.12Å
415F89.3Confident92.7Very high3 Ų337.1 Ų37.11%0.01317%0.174CC..Hα-helixtrans-65.1-36.8176.5-68.1-75.8000112.1L205 M390 L392 H395 L398 A410 N412 I413 Q417L205-F415 HydrophobicContact CD1-CB 4.44Å; L205-F415 HydrophobicContact CD2-CB 3.72Å; M390-F415 HydrophobicContact CG-CE1 4.33Å; M390-F415 HydrophobicContact CG-CZ 4.01Å; M390-F415 HydrophobicContact SD-CD1 4.37Å; M390-F415 HydrophobicContact SD-CE1 3.49Å; M390-F415 WeakPolarHBondContact SD-CE1 3.35Å; M390-F415 HydrophobicContact SD-CZ 3.79Å; L392-F415 HydrophobicContact CD1-CE2 4.23Å; L392-F415 HydrophobicContact CD1-CZ 4.37Å; H395-F415 HydrophobicContact CB-CE1 4.31Å; H395-F415 HydrophobicContact CB-CZ 4.49Å; H395-F415 AromaticContact CD2-CE1 3.95Å; L398-F415 HydrophobicContact CD1-CD1 3.5Å; L398-F415 VanDerWaalsContact CD1-CD1 3.5Å; L398-F415 HydrophobicContact CD1-CE1 3.57Å; L398-F415 HydrophobicContact CG-CE1 4.49Å; A410-F415 HydrophobicContact CB-CB 3.94Å; A410-F415 HydrophobicContact CB-CD2 3.36Å; A410-F415 HydrophobicContact CB-CE2 3.91Å; A410-F415 HydrophobicContact CB-CG 3.71Å; N412-F415 HydrophobicContact CB-CD2 3.94Å; N412-F415 HydrophobicContact CB-CE2 4.17Å; N412-F415 PolarHBondContact O-N 3.37Å; I413-F415 PolarHBondContact O-N 2.75Å; F415-Q417 VanDerWaalsContact C-N 3.33Å
416R85.9Confident92.8Very high69 Ų6937.1 Ų37.126%0.2617%0.174SC..Hα-helixtrans-71.9-26175.7-178.2178.8176.9-147.95.2113Y207 I413 L414 R419 E427Y207-R416 HydrophobicContact CD2-CB 3.98Å; Y207-R416 HydrophobicContact CE2-CB 4.06Å; Y207-R416 HydrophobicContact CG-CB 4.23Å; I413-R416 HydrophobicContact CD1-CB 4.16Å; I413-R416 HydrophobicContact CD1-CG 4.41Å; I413-R416 WeakPolarHBondContact O-CB 3.48Å; I413-R416 PolarHBondContact O-N 3.12Å; L414-R416 VanDerWaalsContact C-N 3.32Å; L414-R416 PolarHBondContact O-N 3.37Å; R416-R419 WeakPolarHBondContact O-CG 3.44Å; R416-R419 PolarHBondContact O-NE 3.15Å; R416-E427 IonicContact CZ-OE1 3.43Å; R416-E427 IonicContact NE-OE1 3.45Å; R416-E427 PolarHBondContact NE-OE1 3.34Å; R416-E427 IonicContact NH2-OE1 3.69Å; R416-E427 PolarHBondContact NH2-OE1 3.36Å; R416-E427 IonicContact NH2-OE2 3.63Å
417Q88.1Confident92.7Very high130 Ų13037.3 Ų37.361%0.60718%0.175SC*.Hα-helixtrans-77.5-35.4176.8-71.3176.4-8.400111.7I413 L414 F415 R419I413-Q417 HydrophobicContact CG1-CG 4.38Å; I413-Q417 PolarHBondContact O-N 3.49Å; L414-Q417 PolarHBondContact O-N 2.89Å; F415-Q417 VanDerWaalsContact C-N 3.33Å; Q417-R419 PolarHBondContact O-N 2.95Å
418Q85.9Confident92.6Very high68 Ų6837.6 Ų37.632%0.31818%0.177SC..  trans-87.357.4-178.6-66179.6-11.200112.7H395 L414 H420 L421H395-Q418 PolarHBondContact CD2-OE1 3.13Å; H395-Q418 PolarHBondContact NE2-OE1 3.47Å; L414-Q418 PolarHBondContact O-N 3.06Å; L414-Q418 VanDerWaalsContact O-N 3.12Å; Q418-H420 PolarHBondContact O-N 3.18Å; Q418-H420 VanDerWaalsContact O-N 3.1Å; Q418-L421 HydrophobicContact CB-CD1 4.06Å; Q418-L421 HydrophobicContact CB-CG 4.44Å; Q418-L421 PolarHBondContact O-N 3.46Å
419R83.2Confident92.4Very high96 Ų9641.7 Ų41.736%0.36220%0.196SC..G310 helixtrans-62.6-26.2-170.6-49.2-169.1173.4172.5-2.9114.2R416 Q417 L421 S422 I425 Q434 Q436R416-R419 WeakPolarHBondContact O-CG 3.44Å; R416-R419 PolarHBondContact O-NE 3.15Å; Q417-R419 PolarHBondContact O-N 2.95Å; R419-L421 PolarHBondContact O-N 3.28Å; R419-L421 VanDerWaalsContact O-N 3.15Å; R419-S422 PolarHBondContact O-N 3.37Å; R419-I425 HydrophobicContact CB-CD1 3.72Å; R419-I425 HydrophobicContact CG-CD1 3.5Å; R419-Q434 VanDerWaalsContact NH1-OE1 3.16Å; R419-Q436 PolarHBondContact O-NE2 3.34Å
420H88.1Confident92.3Very high144 Ų14447.6 Ų47.667%0.66722%0.224SC*.G310 helixtrans-64.2-15-179.864.3-83.8000114Q418 S422Q418-H420 PolarHBondContact O-N 3.18Å; Q418-H420 VanDerWaalsContact O-N 3.1Å; H420-S422 VanDerWaalsContact C-N 3.34Å
421L90.1Very high92.2Very high23 Ų2348.1 Ų48.112%0.1223%0.228CC..G310 helixtrans-84.6-8.5178.2-61.2179.8000113.5L398 S399 Q418 R419L398-L421 HydrophobicContact CB-CB 4.27Å; L398-L421 HydrophobicContact CB-CD1 4.18Å; L398-L421 HydrophobicContact CD1-CD1 4.26Å; S399-L421 WeakPolarHBondContact OG-CD2 3.3Å; Q418-L421 HydrophobicContact CB-CD1 4.06Å; Q418-L421 HydrophobicContact CB-CG 4.44Å; Q418-L421 PolarHBondContact O-N 3.46Å; R419-L421 PolarHBondContact O-N 3.28Å; R419-L421 VanDerWaalsContact O-N 3.15Å
422S94.4Very high92.2Very high6 Ų650.9 Ų50.94%0.04224%0.237CC..  trans-129.2140.6-178.2-56.30000110.4R419 H420 A424R419-S422 PolarHBondContact O-N 3.37Å; H420-S422 VanDerWaalsContact C-N 3.34Å; S422-A424 VanDerWaalsContact C-N 3.28Å
423D96.3Very high92.4Very high56 Ų5650.9 Ų50.930%0.29924%0.237SC..SBendtrans-69.8-33.6174.1-61.6-38000110.5K202 K203 L440K202-D423 HydrophobicContact CB-CB 4.14Å; K203-D423 HydrophobicContact CB-CB 4.38Å; K203-D423 PolarHBondContact N-OD2 3.19Å; K203-D423 PolarHBondContact O-N 3.28Å; D423-L440 HydrophobicContact CB-CD2 3.81Å
424A97.1Very high92.6Very high0 Ų049.1 Ų49.10%023%0.227CC..EExtended strand (participates in β ladder)trans-143.4141.9179.300000112.8L197 K203 L205 S422 Q434 I435L197-A424 HydrophobicContact CD1-CB 4.1Å; L197-A424 HydrophobicContact CD2-CB 3.59Å; L197-A424 HydrophobicContact CG-CB 4.45Å; K203-A424 PolarHBondContact O-N 2.93Å; K203-A424 VanDerWaalsContact O-N 3.13Å; L205-A424 PolarHBondContact N-O 3.07Å; S422-A424 VanDerWaalsContact C-N 3.28Å; A424-Q434 CarbonylContact C-O 3.59Å; A424-Q434 VanDerWaalsContact CA-O 3.24Å; A424-Q434 WeakPolarHBondContact CA-O 3.46Å; A424-I435 HydrophobicContact CB-CG1 4.06Å
425I97.3Very high92.9Very high1 Ų146.7 Ų46.71%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-117.3123.6171.6-58.1177.4000109.4L205 R419 Q434L205-I425 HydrophobicContact CB-CG1 4.5Å; L205-I425 HydrophobicContact CD2-CG1 4.48Å; L205-I425 CarbonylContact O-C 3.53Å; L205-I425 WeakPolarHBondContact O-CA 3.39Å; R419-I425 HydrophobicContact CB-CD1 3.72Å; R419-I425 HydrophobicContact CG-CD1 3.5Å; I425-Q434 HydrophobicContact CB-CB 4.4Å; I425-Q434 PolarHBondContact N-O 3.33Å; I425-Q434 PolarHBondContact O-N 3.2Å
426V97.6Very high92.9Very high0 Ų051.1 Ų51.10%024%0.235CC..EExtended strand (participates in β ladder)trans-102.3101.9178.5-172.40000108.5F187 L194 V204 L205 F206 Y207 V428F187-V426 HydrophobicContact CE1-CG1 3.69Å; F187-V426 HydrophobicContact CZ-CG1 3.83Å; L194-V426 HydrophobicContact CD1-CG1 4.5Å; L194-V426 HydrophobicContact CD2-CB 4.42Å; L194-V426 HydrophobicContact CD2-CG1 4.02Å; L194-V426 HydrophobicContact CD2-CG2 3.48Å; L194-V426 VanDerWaalsContact CD2-CG2 3.48Å; V204-V426 HydrophobicContact CG1-CG2 3.79Å; L205-V426 PolarHBondContact O-N 3.49Å; F206-V426 HydrophobicContact CD1-CB 3.97Å; F206-V426 HydrophobicContact CD1-CG1 3.9Å; F206-V426 HydrophobicContact CD2-CB 4.44Å; F206-V426 HydrophobicContact CD2-CG2 4.39Å; F206-V426 HydrophobicContact CE1-CB 4.17Å; F206-V426 HydrophobicContact CE1-CG1 3.86Å; F206-V426 HydrophobicContact CE1-CG2 4.37Å; F206-V426 HydrophobicContact CE2-CG2 4.21Å; F206-V426 HydrophobicContact CG-CB 4.11Å; F206-V426 HydrophobicContact CZ-CB 4.48Å; F206-V426 HydrophobicContact CZ-CG1 4.46Å; F206-V426 HydrophobicContact CZ-CG2 4.2Å; Y207-V426 PolarHBondContact N-O 3.04Å; V426-V428 PolarHBondContact O-N 2.92Å
427E96.3Very high93.3Very high7 Ų751 Ų513%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-79.2101.2170.3-65.7178.4174.700108.2R416 E429 E430 A431 R432 Q434R416-E427 IonicContact CZ-OE1 3.43Å; R416-E427 IonicContact NE-OE1 3.45Å; R416-E427 PolarHBondContact NE-OE1 3.34Å; R416-E427 IonicContact NH2-OE1 3.69Å; R416-E427 PolarHBondContact NH2-OE1 3.36Å; R416-E427 IonicContact NH2-OE2 3.63Å; E427-E429 PolarHBondContact O-N 3.01Å; E427-E430 PolarHBondContact O-N 3.11Å; E427-A431 PolarHBondContact O-N 2.89Å; E427-A431 VanDerWaalsContact O-N 3.16Å; E427-R432 HydrophobicContact CB-CB 4.29Å; E427-R432 VanDerWaalsContact CD-NH2 3.31Å; E427-R432 PolarHBondContact N-O 3.49Å; E427-R432 PolarHBondContact O-N 3.45Å; E427-R432 VanDerWaalsContact O-N 3.07Å; E427-R432 IonicContact OE1-CZ 2.89Å; E427-R432 IonicContact OE1-NH2 3.28Å; E427-R432 PolarHBondContact OE1-NH2 2.83Å; E427-R432 VanDerWaalsContact OE1-NH2 3.09Å; E427-R432 IonicContact OE2-CZ 2.71Å; E427-R432 IonicContact OE2-NE 3.7Å; E427-R432 PolarHBondContact OE2-NE 3.43Å; E427-R432 IonicContact OE2-NH2 2.76Å; E427-R432 PolarHBondContact OE2-NH2 3.35Å; E427-Q434 PolarHBondContact OE1-NE2 3.15Å; E427-Q434 PolarHBondContact OE2-NE2 2.66Å
428V96.1Very high93.7Very high5 Ų548.8 Ų48.83%0.0324%0.236CC..THydrogen-bonded Turntrans-65.5-42.7-170.2-174.20000110.4H186 F187 F206 Y207 V208 A217 V426 E430 A431H186-V428 PolarHBondContact CD2-O 3.06Å; H186-V428 PolarHBondContact NE2-O 3.12Å; F187-V428 HydrophobicContact CE2-CG1 4.13Å; F187-V428 HydrophobicContact CZ-CB 4.45Å; F187-V428 HydrophobicContact CZ-CG1 4.14Å; F206-V428 HydrophobicContact CB-CG2 4.32Å; F206-V428 HydrophobicContact CD1-CG2 3.87Å; Y207-V428 PolarHBondContact O-N 3.05Å; V208-V428 HydrophobicContact CB-CB 3.79Å; V208-V428 HydrophobicContact CB-CG2 4.23Å; V208-V428 HydrophobicContact CG1-CB 3.67Å; V208-V428 HydrophobicContact CG1-CG1 4.23Å; V208-V428 HydrophobicContact CG1-CG2 3.84Å; V208-V428 HydrophobicContact CG2-CB 4.45Å; A217-V428 HydrophobicContact CB-CG1 3.63Å; A217-V428 HydrophobicContact CB-CG2 4.41Å; V426-V428 PolarHBondContact O-N 2.92Å; V428-E430 PolarHBondContact O-N 2.84Å; V428-A431 PolarHBondContact O-N 3.32Å
429E93.6Very high94.2Very high86 Ų8651.7 Ų51.740%0.40225%0.25SC..THydrogen-bonded Turntrans-55.1-49-179.5-164.865.3-139.800112.8H186 V208 R213 E427 A431H186-E429 PolarHBondContact CE1-O 3.32Å; H186-E429 PolarHBondContact NE2-O 3.5Å; V208-E429 HydrophobicContact CG2-CB 4.24Å; R213-E429 IonicContact CZ-OE1 3.5Å; R213-E429 IonicContact CZ-OE2 3Å; R213-E429 IonicContact NH1-OE1 3.95Å; R213-E429 PolarHBondContact NH1-OE1 2.83Å; R213-E429 IonicContact NH1-OE2 2.67Å; R213-E429 PolarHBondContact NH1-OE2 3.32Å; R213-E429 IonicContact NH2-OE1 2.55Å; R213-E429 IonicContact NH2-OE2 2.77Å; E427-E429 PolarHBondContact O-N 3.01Å; E429-A431 VanDerWaalsContact C-N 3.3Å; E429-A431 PolarHBondContact O-N 3.01Å
430E94.5Very high94.8Very high125 Ų12547.2 Ų47.258%0.58423%0.233SC*.THydrogen-bonded Turntrans-89.13.3-174.3-62.1-61.1150.700113.3E427 V428 R432E427-E430 PolarHBondContact O-N 3.11Å; V428-E430 PolarHBondContact O-N 2.84Å; E430-R432 HydrophobicContact CB-CB 4.15Å; E430-R432 PolarHBondContact O-N 3.28Å; E430-R432 VanDerWaalsContact O-N 3.14Å
431A95.7Very high95.2Very high10 Ų1046.1 Ų46.18%0.08322%0.223CC..THydrogen-bonded Turntrans45.942.6-170.300000112H186 F187 K190 E427 V428 E429H186-A431 VanDerWaalsContact O-CB 3.3Å; H186-A431 WeakPolarHBondContact O-CB 3.38Å; F187-A431 HydrophobicContact CD1-CB 3.86Å; F187-A431 HydrophobicContact CE1-CB 4.14Å; F187-A431 HydrophobicContact CG-CB 4.14Å; K190-A431 VanDerWaalsContact CD-O 3.24Å; K190-A431 WeakPolarHBondContact CD-O 3.35Å; K190-A431 PolarHBondContact NZ-O 3.28Å; E427-A431 PolarHBondContact O-N 2.89Å; E427-A431 VanDerWaalsContact O-N 3.16Å; V428-A431 PolarHBondContact O-N 3.32Å; E429-A431 VanDerWaalsContact C-N 3.3Å; E429-A431 PolarHBondContact O-N 3.01Å
432R94.9Very high95.5Very high71 Ų7152.3 Ų52.327%0.26825%0.249SC..EExtended strand (participates in β ladder)trans-109.4124-173.9-177.2168.168161.3-3.4110.5E427 E430 Q434 E564E427-R432 HydrophobicContact CB-CB 4.29Å; E427-R432 VanDerWaalsContact CD-NH2 3.31Å; E427-R432 PolarHBondContact N-O 3.49Å; E427-R432 PolarHBondContact O-N 3.45Å; E427-R432 VanDerWaalsContact O-N 3.07Å; E427-R432 IonicContact OE1-CZ 2.89Å; E427-R432 IonicContact OE1-NH2 3.28Å; E427-R432 PolarHBondContact OE1-NH2 2.83Å; E427-R432 VanDerWaalsContact OE1-NH2 3.09Å; E427-R432 IonicContact OE2-CZ 2.71Å; E427-R432 IonicContact OE2-NE 3.7Å; E427-R432 PolarHBondContact OE2-NE 3.43Å; E427-R432 IonicContact OE2-NH2 2.76Å; E427-R432 PolarHBondContact OE2-NH2 3.35Å; E430-R432 HydrophobicContact CB-CB 4.15Å; E430-R432 PolarHBondContact O-N 3.28Å; E430-R432 VanDerWaalsContact O-N 3.14Å; R432-Q434 HydrophobicContact CG-CG 4.22Å; R432-Q434 VanDerWaalsContact NE-NE2 3.1Å; R432-E564 IonicContact NH1-OE1 3.32Å; R432-E564 PolarHBondContact NH1-OE1 3.16Å
433I96.4Very high95.7Very high32 Ų3253.1 Ų53.116%0.16425%0.252CS..EExtended strand (participates in β ladder)trans-103.6113.5174.4-52.4174.4000107.6K190 I193 L194 I435K190-I433 HydrophobicContact CB-CD1 3.84Å; I193-I433 HydrophobicContact CB-CD1 4.01Å; I193-I433 HydrophobicContact CG2-CD1 3.92Å; L194-I433 HydrophobicContact CD2-CD1 3.55Å; L194-I433 HydrophobicContact CD2-CG1 3.98Å; L194-I433 HydrophobicContact CG-CD1 3.73Å; I433-I435 HydrophobicContact CG2-CD1 4.22Å; I433-I435 HydrophobicContact CG2-CG1 3.96Å
434Q95.1Very high95.7Very high29 Ų2950.7 Ų50.714%0.13624%0.24CC..EExtended strand (participates in β ladder)trans-100.1116.2176.1-66.8173.417.700109R419 A424 I425 E427 R432R419-Q434 VanDerWaalsContact NH1-OE1 3.16Å; A424-Q434 CarbonylContact C-O 3.59Å; A424-Q434 VanDerWaalsContact CA-O 3.24Å; A424-Q434 WeakPolarHBondContact CA-O 3.46Å; I425-Q434 HydrophobicContact CB-CB 4.4Å; I425-Q434 PolarHBondContact N-O 3.33Å; I425-Q434 PolarHBondContact O-N 3.2Å; E427-Q434 PolarHBondContact OE1-NE2 3.15Å; E427-Q434 PolarHBondContact OE2-NE2 2.66Å; R432-Q434 HydrophobicContact CG-CG 4.22Å; R432-Q434 VanDerWaalsContact NE-NE2 3.1Å
435I95.5Very high95.6Very high19 Ų1954.5 Ų54.510%0.09727%0.266CS..EExtended strand (participates in β ladder)trans-117.1123.6175-55.3-176.7000105.6A424 I433 L440 R441 L444A424-I435 HydrophobicContact CB-CG1 4.06Å; I433-I435 HydrophobicContact CG2-CD1 4.22Å; I433-I435 HydrophobicContact CG2-CG1 3.96Å; I435-L440 HydrophobicContact CG2-CB 3.9Å; I435-L440 HydrophobicContact CG2-CD2 3.84Å; I435-L440 HydrophobicContact CG2-CG 3.83Å; I435-R441 HydrophobicContact CB-CG 3.68Å; I435-R441 HydrophobicContact CG2-CG 3.74Å; I435-R441 PolarHBondContact O-NH1 3.24Å; I435-L444 HydrophobicContact CD1-CD1 3.47Å; I435-L444 VanDerWaalsContact CD1-CD1 3.47Å
436Q89.3Confident95.5Very high96 Ų9655 Ų5545%0.44927%0.268SS..  trans-81.2-41-177.7-79.6164.583.100112R419 P438 R441R419-Q436 PolarHBondContact O-NE2 3.34Å; Q436-P438 WeakPolarHBondContact O-CD 3.35Å; Q436-R441 VanDerWaalsContact C-NH1 3.29Å; Q436-R441 PolarHBondContact O-NH1 2.88Å
437D94.6Very high95.4Very high66 Ų6656.1 Ų56.135%0.35328%0.276SS..  trans-69.8117.1-178.7174.421000111.4E439 L440 R441D437-E439 PolarHBondContact O-N 2.95Å; D437-E439 WeakPolarHBondContact OD1-CB 3.21Å; D437-E439 PolarHBondContact OD1-N 3.37Å; D437-L440 HydrophobicContact CB-CB 3.94Å; D437-L440 PolarHBondContact O-N 3.45Å; D437-L440 VanDerWaalsContact OD2-CB 3.29Å; D437-L440 WeakPolarHBondContact OD2-CB 3.45Å; D437-L440 PolarHBondContact OD2-N 2.94Å; D437-R441 WeakPolarHBondContact O-CG 3.49Å; D437-R441 PolarHBondContact O-N 2.75Å
438P94.9Very high95.3Very high84 Ų8456.8 Ų56.855%0.54528%0.28SS..Hα-helixtrans-60.8-31.7174.924.7-33.2000113.3Q436 R441 K442Q436-P438 WeakPolarHBondContact O-CD 3.35Å; P438-R441 PolarHBondContact O-N 2.85Å; P438-K442 PolarHBondContact O-N 3.32Å
439E96.8Very high95.2Very high130 Ų13056.6 Ų56.661%0.60728%0.279SS*.Hα-helixtrans-69-48.7179.2-171.3177.9176.700110.2D437 R441 K442 I443D437-E439 PolarHBondContact O-N 2.95Å; D437-E439 WeakPolarHBondContact OD1-CB 3.21Å; D437-E439 PolarHBondContact OD1-N 3.37Å; E439-R441 VanDerWaalsContact C-N 3.27Å; E439-R441 PolarHBondContact O-N 2.8Å; E439-K442 WeakPolarHBondContact O-CA 3.33Å; E439-K442 WeakPolarHBondContact O-CB 3.47Å; E439-K442 PolarHBondContact O-N 3.45Å; E439-I443 HydrophobicContact CG-CD1 4.14Å; E439-I443 WeakPolarHBondContact O-CG1 3.48Å; E439-I443 PolarHBondContact O-N 2.9Å
440L96.9Very high95.4Very high1 Ų152.5 Ų52.51%0.00526%0.26CS..Hα-helixtrans-58-37.6172.9-174.855.2000112.7L197 L200 K202 D423 I435 D437 K442 I443 L444L197-L440 HydrophobicContact CD1-CD2 4.22Å; L200-L440 HydrophobicContact CD1-CD1 4.14Å; K202-L440 HydrophobicContact CD-CD1 4.31Å; K202-L440 HydrophobicContact CD-CD2 4.23Å; K202-L440 HydrophobicContact CG-CD1 4.21Å; K202-L440 HydrophobicContact CG-CD2 4.2Å; D423-L440 HydrophobicContact CB-CD2 3.81Å; I435-L440 HydrophobicContact CG2-CB 3.9Å; I435-L440 HydrophobicContact CG2-CD2 3.84Å; I435-L440 HydrophobicContact CG2-CG 3.83Å; D437-L440 HydrophobicContact CB-CB 3.94Å; D437-L440 PolarHBondContact O-N 3.45Å; D437-L440 VanDerWaalsContact OD2-CB 3.29Å; D437-L440 WeakPolarHBondContact OD2-CB 3.45Å; D437-L440 PolarHBondContact OD2-N 2.94Å; L440-K442 VanDerWaalsContact C-N 3.33Å; L440-K442 PolarHBondContact O-N 2.98Å; L440-I443 PolarHBondContact O-N 2.97Å; L440-L444 HydrophobicContact CD1-CD1 3.64Å; L440-L444 HydrophobicContact CD1-CG 4.07Å; L440-L444 HydrophobicContact CG-CD1 3.75Å; L440-L444 WeakPolarHBondContact O-CB 3.5Å; L440-L444 WeakPolarHBondContact O-CG 3.39Å; L440-L444 PolarHBondContact O-N 3.42Å
441R96.1Very high95.5Very high121 Ų12146.9 Ų46.946%0.45723%0.234SC..Hα-helixtrans-60.5-41.6172.6-74.4-168.9-62.3-97.8-0.1112.3I435 Q436 D437 P438 E439 L444 S445I435-R441 HydrophobicContact CB-CG 3.68Å; I435-R441 HydrophobicContact CG2-CG 3.74Å; I435-R441 PolarHBondContact O-NH1 3.24Å; Q436-R441 VanDerWaalsContact C-NH1 3.29Å; Q436-R441 PolarHBondContact O-NH1 2.88Å; D437-R441 WeakPolarHBondContact O-CG 3.49Å; D437-R441 PolarHBondContact O-N 2.75Å; P438-R441 PolarHBondContact O-N 2.85Å; E439-R441 VanDerWaalsContact C-N 3.27Å; E439-R441 PolarHBondContact O-N 2.8Å; R441-L444 PolarHBondContact O-N 3.48Å; R441-S445 PolarHBondContact O-N 2.87Å
442K96.1Very high95.4Very high153 Ų15348.4 Ų48.467%0.66524%0.238SC*.Hα-helixtrans-66-42.5176.1-176.1-177177.8-176.90111.2P438 E439 L440 L444 S445P438-K442 PolarHBondContact O-N 3.32Å; E439-K442 WeakPolarHBondContact O-CA 3.33Å; E439-K442 WeakPolarHBondContact O-CB 3.47Å; E439-K442 PolarHBondContact O-N 3.45Å; L440-K442 VanDerWaalsContact C-N 3.33Å; L440-K442 PolarHBondContact O-N 2.98Å; K442-L444 VanDerWaalsContact C-N 3.29Å; K442-L444 PolarHBondContact O-N 3.32Å; K442-S445 WeakPolarHBondContact O-CB 3.4Å; K442-S445 PolarHBondContact O-N 2.82Å
443I98Very high95.5Very high23 Ų2345.1 Ų45.112%0.11823%0.225CC..Hα-helixtrans-60.3-39.8177.2-68.1169.9000111.1L200 E439 L440 P512 F513 A516L200-I443 HydrophobicContact CD1-CG2 3.68Å; E439-I443 HydrophobicContact CG-CD1 4.14Å; E439-I443 WeakPolarHBondContact O-CG1 3.48Å; E439-I443 PolarHBondContact O-N 2.9Å; L440-I443 PolarHBondContact O-N 2.97Å; I443-P512 HydrophobicContact CG1-CB 4.16Å; I443-F513 HydrophobicContact CG2-CB 4.47Å; I443-F513 WeakPolarHBondContact O-CB 3.4Å; I443-A516 HydrophobicContact CD1-CB 4.29Å; I443-A516 HydrophobicContact CG2-CB 3.94Å
444L96.9Very high95.5Very high6 Ų643.9 Ų43.93%0.03122%0.219CC..THydrogen-bonded Turntrans-90.16.3-177.5-69.6164.6000114.6I193 K196 L197 L200 I435 L440 R441 K442 L446I193-L444 HydrophobicContact CG2-CB 4.4Å; K196-L444 HydrophobicContact CB-CD2 3.7Å; L197-L444 HydrophobicContact CB-CD1 4.28Å; L197-L444 HydrophobicContact CB-CD2 4.2Å; L197-L444 HydrophobicContact CD1-CD1 3.53Å; L197-L444 HydrophobicContact CG-CD1 4.46Å; L200-L444 HydrophobicContact CD1-CD2 3.86Å; L200-L444 HydrophobicContact CD1-CG 4.29Å; I435-L444 HydrophobicContact CD1-CD1 3.47Å; I435-L444 VanDerWaalsContact CD1-CD1 3.47Å; L440-L444 HydrophobicContact CD1-CD1 3.64Å; L440-L444 HydrophobicContact CD1-CG 4.07Å; L440-L444 HydrophobicContact CG-CD1 3.75Å; L440-L444 WeakPolarHBondContact O-CB 3.5Å; L440-L444 WeakPolarHBondContact O-CG 3.39Å; L440-L444 PolarHBondContact O-N 3.42Å; R441-L444 PolarHBondContact O-N 3.48Å; K442-L444 VanDerWaalsContact C-N 3.29Å; K442-L444 PolarHBondContact O-N 3.32Å; L444-L446 PolarHBondContact O-N 3.14Å
445S95.3Very high95.4Very high79 Ų7946.3 Ų46.355%0.55223%0.233SC*.  trans-64.4122.1175.6-177.90000110.2R441 K442R441-S445 PolarHBondContact O-N 2.87Å; K442-S445 WeakPolarHBondContact O-CB 3.4Å; K442-S445 PolarHBondContact O-N 2.82Å
446L95.9Very high95.3Very high11 Ų1147.2 Ų47.26%0.05824%0.236CC..  trans-67.1134.9178.3-59.2-174.8000111H189 L192 I193 K196 L444 D450 L451H189-L446 HydrophobicContact CB-CD1 4.32Å; L192-L446 HydrophobicContact CB-CD2 4.33Å; L192-L446 HydrophobicContact CD2-CD2 3.93Å; L192-L446 HydrophobicContact CG-CD2 3.97Å; I193-L446 HydrophobicContact CD1-CD1 4.4Å; I193-L446 HydrophobicContact CD1-CG 4.44Å; I193-L446 HydrophobicContact CG1-CD1 3.99Å; I193-L446 HydrophobicContact CG1-CD2 3.9Å; I193-L446 HydrophobicContact CG1-CG 3.91Å; K196-L446 HydrophobicContact CD-CD2 4.48Å; L444-L446 PolarHBondContact O-N 3.14Å; L446-D450 HydrophobicContact CB-CB 3.84Å; L446-D450 HydrophobicContact CD2-CB 4.14Å; L446-D450 HydrophobicContact CG-CB 4.45Å; L446-L451 HydrophobicContact CB-CD2 4.03Å; L446-L451 HydrophobicContact CB-CG 4.04Å; L446-L451 HydrophobicContact CD1-CD2 3.91Å
447T95.3Very high95.5Very high25 Ų2542.7 Ų42.715%0.15322%0.215CC..  trans-74.4176.6172.370.60000111.4A449 D450 L451 D508T447-A449 VanDerWaalsContact C-N 3.31Å; T447-A449 PolarHBondContact O-N 3.37Å; T447-A449 PolarHBondContact OG1-N 3.29Å; T447-D450 PolarHBondContact N-OD2 2.9Å; T447-D450 PolarHBondContact O-N 2.77Å; T447-D450 PolarHBondContact OG1-N 2.99Å; T447-D450 PolarHBondContact OG1-OD2 2.73Å; T447-L451 WeakPolarHBondContact O-CB 3.26Å; T447-L451 VanDerWaalsContact O-CG 3.26Å; T447-L451 WeakPolarHBondContact O-CG 3.19Å; T447-L451 PolarHBondContact O-N 3.16Å; T447-D508 WeakPolarHBondContact CB-O 3.2Å; T447-D508 WeakPolarHBondContact CG2-O 3.05Å; T447-D508 PolarHBondContact OG1-O 2.89Å
448T93.6Very high95.4Very high20 Ų2040.9 Ų40.912%0.12321%0.206CC..Hα-helixtrans-62.1-41.8171.3-52.30000111.4L451 R452 Y547 D551 R555T448-L451 PolarHBondContact O-N 3.4Å; T448-R452 WeakPolarHBondContact O-CG 3.28Å; T448-R452 PolarHBondContact O-N 3.45Å; T448-Y547 HydrophobicContact CG2-CD2 4.39Å; T448-Y547 HydrophobicContact CG2-CE2 4.4Å; T448-D551 HydrophobicContact CG2-CB 3.76Å; T448-D551 WeakPolarHBondContact CG2-OD1 3.14Å; T448-R555 VanDerWaalsContact OG1-CZ 3.29Å; T448-R555 PolarHBondContact OG1-NE 3.19Å; T448-R555 PolarHBondContact OG1-NH2 3.22Å
449A94.8Very high95.3Very high1 Ų141.5 Ų41.51%0.00820%0.2CC..Hα-helixtrans-65.6-41.5-179.200000111.1T447 L451 R452 F453 D508 H541T447-A449 VanDerWaalsContact C-N 3.31Å; T447-A449 PolarHBondContact O-N 3.37Å; T447-A449 PolarHBondContact OG1-N 3.29Å; A449-L451 PolarHBondContact O-N 2.93Å; A449-R452 PolarHBondContact O-N 3.22Å; A449-F453 PolarHBondContact O-N 2.86Å; A449-D508 HydrophobicContact CB-CB 4.03Å; A449-H541 HydrophobicContact CB-CB 4.34Å; A449-H541 WeakPolarHBondContact CB-ND1 3.5Å; A449-H541 PolarHBondContact O-CE1 2.81Å
450D97Very high94.9Very high0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-58.7-45.8172.1-74.3-36.3000112L192 K196 L446 T447 F453 A454 Y489 H541L192-D450 HydrophobicContact CD2-CB 3.57Å; K196-D450 WeakPolarHBondContact CE-OD1 3.46Å; K196-D450 IonicContact NZ-OD1 3.47Å; K196-D450 PolarHBondContact NZ-OD1 3.48Å; K196-D450 IonicContact NZ-OD2 3.29Å; K196-D450 PolarHBondContact NZ-OD2 2.99Å; L446-D450 HydrophobicContact CB-CB 3.84Å; L446-D450 HydrophobicContact CD2-CB 4.14Å; L446-D450 HydrophobicContact CG-CB 4.45Å; T447-D450 PolarHBondContact N-OD2 2.9Å; T447-D450 PolarHBondContact O-N 2.77Å; T447-D450 PolarHBondContact OG1-N 2.99Å; T447-D450 PolarHBondContact OG1-OD2 2.73Å; D450-F453 WeakPolarHBondContact O-CB 3.25Å; D450-F453 PolarHBondContact O-N 3.06Å; D450-A454 WeakPolarHBondContact O-CB 3.44Å; D450-A454 PolarHBondContact O-N 2.73Å; D450-Y489 PolarHBondContact OD1-OH 3.12Å; D450-H541 PolarHBondContact N-NE2 2.8Å; D450-H541 IonicContact OD1-NE2 2.82Å; D450-H541 PolarHBondContact OD1-NE2 3.35Å
451L95.8Very high94.6Very high7 Ų736.7 Ų36.74%0.03718%0.178CC..Hα-helixtrans-64.6-40.3179.7-72.7172.4000111.4L446 T447 T448 A449 A454 D455 L554 R555 H558L446-L451 HydrophobicContact CB-CD2 4.03Å; L446-L451 HydrophobicContact CB-CG 4.04Å; L446-L451 HydrophobicContact CD1-CD2 3.91Å; T447-L451 WeakPolarHBondContact O-CB 3.26Å; T447-L451 VanDerWaalsContact O-CG 3.26Å; T447-L451 WeakPolarHBondContact O-CG 3.19Å; T447-L451 PolarHBondContact O-N 3.16Å; T448-L451 PolarHBondContact O-N 3.4Å; A449-L451 PolarHBondContact O-N 2.93Å; L451-A454 PolarHBondContact O-N 3.1Å; L451-D455 VanDerWaalsContact O-CB 3.28Å; L451-D455 WeakPolarHBondContact O-CB 3.35Å; L451-D455 PolarHBondContact O-N 2.96Å; L451-L554 HydrophobicContact CB-CD2 3.71Å; L451-L554 HydrophobicContact CB-CG 4.08Å; L451-R555 HydrophobicContact CD1-CG 3.79Å; L451-H558 HydrophobicContact CD2-CB 4.17Å; L451-H558 VanDerWaalsContact CD2-CD2 3.46Å; L451-H558 WeakPolarHBondContact CD2-CD2 3.39Å
452R94.4Very high94.2Very high43 Ų4333.9 Ų33.916%0.16217%0.174CC..Hα-helixtrans-61.1-43.9174.4-72.5173.7-173.1160.9-1111.7T448 A449 Y456 F543 G545 Q546 D551 L554T448-R452 WeakPolarHBondContact O-CG 3.28Å; T448-R452 PolarHBondContact O-N 3.45Å; A449-R452 PolarHBondContact O-N 3.22Å; R452-Y456 VanDerWaalsContact O-CB 3.25Å; R452-Y456 WeakPolarHBondContact O-CB 3.44Å; R452-Y456 PolarHBondContact O-N 2.82Å; R452-F543 HydrophobicContact CB-CB 3.89Å; R452-F543 HydrophobicContact CB-CD1 4.03Å; R452-F543 HydrophobicContact CB-CG 4.29Å; R452-F543 PolarHBondContact NH1-O 3.19Å; R452-G545 PolarHBondContact NH1-O 3.07Å; R452-G545 PolarHBondContact NH2-O 2.79Å; R452-Q546 PolarHBondContact NH2-O 3.04Å; R452-D551 IonicContact CZ-OD1 3.97Å; R452-D551 IonicContact CZ-OD2 3.26Å; R452-D551 IonicContact NE-OD1 3.35Å; R452-D551 PolarHBondContact NE-OD1 3.5Å; R452-D551 IonicContact NE-OD2 2.9Å; R452-D551 VanDerWaalsContact NH2-CG 3.26Å; R452-D551 IonicContact NH2-OD1 2.72Å; R452-D551 PolarHBondContact NH2-OD1 3.47Å; R452-D551 IonicContact NH2-OD2 2.62Å; R452-D551 PolarHBondContact NH2-OD2 2.89Å; R452-L554 HydrophobicContact CG-CD2 4.38Å
453F96.4Very high93.3Very high2 Ų232.2 Ų32.21%0.00917%0.169CC..Hα-helixtrans-59.6-49.8175.1170.2-98000111.2L192 A449 D450 D455 Y456 L457 Q485 F486 Y489 F543L192-F453 HydrophobicContact CD1-CD1 4.5Å; L192-F453 HydrophobicContact CD1-CE1 4.37Å; L192-F453 HydrophobicContact CD2-CD1 4.11Å; A449-F453 PolarHBondContact O-N 2.86Å; D450-F453 WeakPolarHBondContact O-CB 3.25Å; D450-F453 PolarHBondContact O-N 3.06Å; F453-D455 PolarHBondContact O-N 2.94Å; F453-Y456 WeakPolarHBondContact O-CB 3.27Å; F453-Y456 PolarHBondContact O-N 3.37Å; F453-L457 HydrophobicContact CD1-CD1 4.31Å; F453-L457 HydrophobicContact CE1-CD1 3.65Å; F453-L457 HydrophobicContact CE1-CG 4.44Å; F453-L457 HydrophobicContact CE2-CD1 4.44Å; F453-L457 HydrophobicContact CZ-CD1 3.73Å; F453-L457 HydrophobicContact CZ-CG 4.34Å; F453-L457 WeakPolarHBondContact O-CG 3.21Å; F453-L457 PolarHBondContact O-N 2.7Å; F453-L457 VanDerWaalsContact O-N 3.12Å; F453-Q485 HydrophobicContact CE2-CB 3.97Å; F453-Q485 HydrophobicContact CZ-CB 4.24Å; F453-F486 HydrophobicContact CE1-CD1 4.43Å; F453-F486 HydrophobicContact CE1-CE1 4.06Å; F453-F486 HydrophobicContact CE1-CE2 4.32Å; F453-F486 AromaticContact CE1-CZ 3.99Å; F453-F486 HydrophobicContact CE1-CZ 3.99Å; F453-F486 HydrophobicContact CZ-CD1 4.4Å; F453-F486 HydrophobicContact CZ-CD2 4.3Å; F453-F486 HydrophobicContact CZ-CE1 4.45Å; F453-F486 HydrophobicContact CZ-CE2 4.35Å; F453-F486 HydrophobicContact CZ-CG 4.33Å; F453-F486 HydrophobicContact CZ-CZ 4.41Å; F453-Y489 HydrophobicContact CD1-CD2 4.07Å; F453-Y489 HydrophobicContact CD1-CE2 4.38Å; F453-Y489 HydrophobicContact CD2-CD2 4.15Å; F453-Y489 HydrophobicContact CE1-CD2 4.13Å; F453-Y489 HydrophobicContact CE2-CD2 4.22Å; F453-Y489 HydrophobicContact CG-CD2 4.07Å; F453-Y489 HydrophobicContact CZ-CD2 4.21Å; F453-Y489 HydrophobicContact CZ-CG 4.44Å; F453-F543 HydrophobicContact CB-CB 4.5Å; F453-F543 HydrophobicContact CB-CD2 3.69Å; F453-F543 HydrophobicContact CB-CE2 4.15Å; F453-F543 HydrophobicContact CB-CG 4.08Å; F453-F543 AromaticContact CD2-CD2 3.77Å; F453-F543 HydrophobicContact CD2-CD2 3.77Å; F453-F543 AromaticContact CD2-CE2 3.55Å; F453-F543 HydrophobicContact CD2-CE2 3.55Å; F453-F543 HydrophobicContact CD2-CZ 4.45Å; F453-F543 HydrophobicContact CE2-CE2 4.47Å; F453-F543 HydrophobicContact CG-CD2 4.24Å; F453-F543 HydrophobicContact CG-CE2 4.34Å
454A96Very high91.5Very high5 Ų533.4 Ų33.44%0.04118%0.175CC..Hα-helixtrans-61.6-45.4179.100000112.8H189 D450 L451 Y456 L457 V458H189-A454 HydrophobicContact CB-CB 3.7Å; D450-A454 WeakPolarHBondContact O-CB 3.44Å; D450-A454 PolarHBondContact O-N 2.73Å; L451-A454 PolarHBondContact O-N 3.1Å; A454-Y456 VanDerWaalsContact C-N 3.32Å; A454-Y456 PolarHBondContact O-N 3.26Å; A454-L457 PolarHBondContact O-N 3.17Å; A454-V458 WeakPolarHBondContact O-CG2 3.28Å; A454-V458 PolarHBondContact O-N 3.11Å
455D93.1Very high89.6Confident80 Ų8040.6 Ų40.643%0.42820%0.202SC..Hα-helixtrans-62.8-40.4177.5-169.567.2000111.4L451 F453 L457 V458 K459 L554L451-D455 VanDerWaalsContact O-CB 3.28Å; L451-D455 WeakPolarHBondContact O-CB 3.35Å; L451-D455 PolarHBondContact O-N 2.96Å; F453-D455 PolarHBondContact O-N 2.94Å; D455-L457 VanDerWaalsContact C-N 3.35Å; D455-L457 PolarHBondContact O-N 3.15Å; D455-V458 PolarHBondContact O-N 2.9Å; D455-K459 VanDerWaalsContact O-CB 3.25Å; D455-K459 WeakPolarHBondContact O-CB 3.02Å; D455-K459 PolarHBondContact O-N 3.47Å; D455-L554 HydrophobicContact CB-CD1 3.77Å; D455-L554 HydrophobicContact CB-CD2 4.2Å
456Y93.5Very high87.5Confident38 Ų3843.7 Ų43.715%0.14921%0.212CC..Hα-helixtrans-57.2-46.8174.4178.2-99.8000111.6P346 R452 F453 A454 H460 W481 F543P346-Y456 HydrophobicContact CB-CE1 3.87Å; R452-Y456 VanDerWaalsContact O-CB 3.25Å; R452-Y456 WeakPolarHBondContact O-CB 3.44Å; R452-Y456 PolarHBondContact O-N 2.82Å; F453-Y456 WeakPolarHBondContact O-CB 3.27Å; F453-Y456 PolarHBondContact O-N 3.37Å; A454-Y456 VanDerWaalsContact C-N 3.32Å; A454-Y456 PolarHBondContact O-N 3.26Å; Y456-H460 AromaticContact CD2-CE1 3.38Å; Y456-H460 WeakPolarHBondContact CD2-CE1 3.5Å; Y456-H460 AromaticContact CD2-ND1 3.84Å; Y456-H460 AromaticContact CE2-CE1 3.02Å; Y456-H460 WeakPolarHBondContact CE2-CE1 3.31Å; Y456-H460 AromaticContact CE2-ND1 3.76Å; Y456-H460 AromaticContact CE2-NE2 3.64Å; Y456-H460 AromaticContact CZ-CE1 3.49Å; Y456-H460 VanDerWaalsContact CZ-CE1 3.49Å; Y456-H460 AromaticContact CZ-ND1 3.98Å; Y456-H460 AromaticContact CZ-NE2 3.82Å; Y456-H460 PolarHBondContact O-N 3.32Å; Y456-H460 PolarHBondContact O-ND1 3.46Å; Y456-W481 HydrophobicContact CD1-CH2 4Å; Y456-W481 HydrophobicContact CD1-CZ2 4.27Å; Y456-W481 AromaticContact CE1-CH2 3.57Å; Y456-W481 HydrophobicContact CE1-CH2 3.57Å; Y456-W481 AromaticContact CE1-CZ2 3.39Å; Y456-W481 HydrophobicContact CE1-CZ2 3.39Å; Y456-W481 AromaticContact CZ-CZ2 3.86Å; Y456-F543 HydrophobicContact CD1-CE1 4.06Å; Y456-F543 HydrophobicContact CD1-CE2 4.45Å; Y456-F543 AromaticContact CD1-CZ 3.47Å; Y456-F543 HydrophobicContact CD1-CZ 3.47Å; Y456-F543 VanDerWaalsContact CD1-CZ 3.47Å; Y456-F543 AromaticContact CD2-CE1 3.94Å; Y456-F543 HydrophobicContact CD2-CE1 3.94Å; Y456-F543 HydrophobicContact CD2-CZ 4.12Å; Y456-F543 HydrophobicContact CE1-CZ 4.01Å; Y456-F543 AromaticContact CG-CE1 3.61Å; Y456-F543 HydrophobicContact CG-CE1 3.61Å; Y456-F543 AromaticContact CG-CZ 3.53Å; Y456-F543 HydrophobicContact CG-CZ 3.53Å
457L94.1Very high85.2Confident1 Ų149.2 Ų49.21%0.00524%0.242CC..Hα-helixtrans-62.2-49.7175.6-63-178.4000112.1I184 F453 A454 D455 K459 H460 V461 W481 Q485 F486I184-L457 HydrophobicContact CD1-CB 4.36Å; I184-L457 HydrophobicContact CD1-CD1 4Å; I184-L457 HydrophobicContact CG2-CB 4.49Å; F453-L457 HydrophobicContact CD1-CD1 4.31Å; F453-L457 HydrophobicContact CE1-CD1 3.65Å; F453-L457 HydrophobicContact CE1-CG 4.44Å; F453-L457 HydrophobicContact CE2-CD1 4.44Å; F453-L457 HydrophobicContact CZ-CD1 3.73Å; F453-L457 HydrophobicContact CZ-CG 4.34Å; F453-L457 WeakPolarHBondContact O-CG 3.21Å; F453-L457 PolarHBondContact O-N 2.7Å; F453-L457 VanDerWaalsContact O-N 3.12Å; A454-L457 PolarHBondContact O-N 3.17Å; D455-L457 VanDerWaalsContact C-N 3.35Å; D455-L457 PolarHBondContact O-N 3.15Å; L457-K459 VanDerWaalsContact C-N 3.3Å; L457-K459 PolarHBondContact O-N 2.9Å; L457-H460 PolarHBondContact O-N 3.4Å; L457-V461 WeakPolarHBondContact O-CB 3.48Å; L457-V461 VanDerWaalsContact O-CG2 3.29Å; L457-V461 WeakPolarHBondContact O-CG2 3.3Å; L457-V461 PolarHBondContact O-N 2.78Å; L457-W481 HydrophobicContact CD2-CE3 4.38Å; L457-W481 HydrophobicContact CD2-CH2 3.8Å; L457-W481 HydrophobicContact CD2-CZ3 3.56Å; L457-Q485 HydrophobicContact CD2-CB 3.74Å; L457-Q485 HydrophobicContact CD2-CG 3.68Å; L457-F486 HydrophobicContact CD1-CD2 4.27Å; L457-F486 HydrophobicContact CD1-CE2 3.54Å; L457-F486 HydrophobicContact CD1-CZ 4.08Å
458V93.3Very high83.2Confident29 Ų2951.7 Ų51.718%0.17626%0.257CS..Hα-helixtrans-58-45.8-179171.10000110.4I184 Q188 A454 D455 H460 V461 T462I184-V458 HydrophobicContact CG2-CG2 3.94Å; Q188-V458 HydrophobicContact CB-CG2 4.14Å; A454-V458 WeakPolarHBondContact O-CG2 3.28Å; A454-V458 PolarHBondContact O-N 3.11Å; D455-V458 PolarHBondContact O-N 2.9Å; V458-H460 PolarHBondContact O-N 3.14Å; V458-V461 PolarHBondContact O-N 3.04Å; V458-T462 HydrophobicContact CG1-CG2 4.19Å; V458-T462 WeakPolarHBondContact O-CB 3.45Å; V458-T462 VanDerWaalsContact O-CG2 3.3Å; V458-T462 WeakPolarHBondContact O-CG2 3.31Å; V458-T462 PolarHBondContact O-N 3.03Å; V458-T462 PolarHBondContact O-OG1 3.31Å
459K91.2Very high80.9Confident96 Ų9660.2 Ų60.242%0.41729%0.293SS..Hα-helixtrans-55.2-54.9178.8-173.4-179.6174.5-1750111.6D455 L457 V461 T462 E463D455-K459 VanDerWaalsContact O-CB 3.25Å; D455-K459 WeakPolarHBondContact O-CB 3.02Å; D455-K459 PolarHBondContact O-N 3.47Å; L457-K459 VanDerWaalsContact C-N 3.3Å; L457-K459 PolarHBondContact O-N 2.9Å; K459-V461 VanDerWaalsContact C-N 3.31Å; K459-V461 PolarHBondContact O-N 2.76Å; K459-T462 PolarHBondContact O-N 3.01Å; K459-T462 VanDerWaalsContact O-N 3.12Å; K459-T462 PolarHBondContact O-OG1 3.47Å; K459-E463 WeakPolarHBondContact CE-OE1 3.39Å; K459-E463 WeakPolarHBondContact CE-OE2 3.36Å; K459-E463 HydrophobicContact CG-CG 4.12Å; K459-E463 VanDerWaalsContact CG-OE1 3.31Å; K459-E463 WeakPolarHBondContact CG-OE1 3.43Å; K459-E463 WeakPolarHBondContact CG-OE2 3.29Å; K459-E463 IonicContact NZ-OE2 3.82Å; K459-E463 WeakPolarHBondContact O-CB 3.48Å; K459-E463 WeakPolarHBondContact O-CG 3.08Å; K459-E463 PolarHBondContact O-N 3.4Å
460H89.8Confident78.7Confident29 Ų2967.9 Ų67.913%0.13433%0.333CS..Hα-helixtrans-65.5-35.1-177.4-68.170.2000112.2Y456 L457 V458 T462 N464 E476 W481Y456-H460 AromaticContact CD2-CE1 3.38Å; Y456-H460 WeakPolarHBondContact CD2-CE1 3.5Å; Y456-H460 AromaticContact CD2-ND1 3.84Å; Y456-H460 AromaticContact CE2-CE1 3.02Å; Y456-H460 WeakPolarHBondContact CE2-CE1 3.31Å; Y456-H460 AromaticContact CE2-ND1 3.76Å; Y456-H460 AromaticContact CE2-NE2 3.64Å; Y456-H460 AromaticContact CZ-CE1 3.49Å; Y456-H460 VanDerWaalsContact CZ-CE1 3.49Å; Y456-H460 AromaticContact CZ-ND1 3.98Å; Y456-H460 AromaticContact CZ-NE2 3.82Å; Y456-H460 PolarHBondContact O-N 3.32Å; Y456-H460 PolarHBondContact O-ND1 3.46Å; L457-H460 PolarHBondContact O-N 3.4Å; V458-H460 PolarHBondContact O-N 3.14Å; H460-T462 VanDerWaalsContact C-N 3.35Å; H460-N464 VanDerWaalsContact O-CB 3.28Å; H460-N464 WeakPolarHBondContact O-CB 2.87Å; H460-N464 PolarHBondContact O-N 3.03Å; H460-N464 PolarHBondContact O-ND2 2.89Å; H460-E476 IonicContact CD2-OE2 2.88Å; H460-E476 IonicContact NE2-OE2 3.13Å; H460-W481 HydrophobicContact CB-CH2 3.69Å; H460-W481 HydrophobicContact CB-CZ2 4.42Å; H460-W481 HydrophobicContact CB-CZ3 4Å; H460-W481 AromaticContact CG-CH2 3.75Å
461V89.6Confident76.2Confident1 Ų174.1 Ų74.11%0.00637%0.366CS..Hα-helixtrans-70.1-31.7176.2172.90000112.3R181 I184 L185 L457 V458 K459 I482R181-V461 HydrophobicContact CG-CG1 3.62Å; R181-V461 HydrophobicContact CG-CG2 4.36Å; I184-V461 HydrophobicContact CB-CG2 4.46Å; I184-V461 HydrophobicContact CG2-CB 4.2Å; I184-V461 HydrophobicContact CG2-CG1 4.4Å; I184-V461 HydrophobicContact CG2-CG2 4.03Å; L185-V461 HydrophobicContact CD1-CG1 4.14Å; L185-V461 HydrophobicContact CD2-CG1 3.64Å; L185-V461 HydrophobicContact CG-CG1 3.5Å; L185-V461 VanDerWaalsContact CG-CG1 3.5Å; L457-V461 WeakPolarHBondContact O-CB 3.48Å; L457-V461 VanDerWaalsContact O-CG2 3.29Å; L457-V461 WeakPolarHBondContact O-CG2 3.3Å; L457-V461 PolarHBondContact O-N 2.78Å; V458-V461 PolarHBondContact O-N 3.04Å; K459-V461 VanDerWaalsContact C-N 3.31Å; K459-V461 PolarHBondContact O-N 2.76Å; V461-I482 HydrophobicContact CG2-CD1 3.78Å; V461-I482 HydrophobicContact CG2-CG1 4.36Å
462T87.1Confident73.8Confident62 Ų6276.5 Ų76.538%0.3839%0.392SS..Hα-helixtrans-87.2-37.9-179.857.30000114.6L185 V458 K459 H460 R465L185-T462 HydrophobicContact CD2-CG2 4Å; V458-T462 HydrophobicContact CG1-CG2 4.19Å; V458-T462 WeakPolarHBondContact O-CB 3.45Å; V458-T462 VanDerWaalsContact O-CG2 3.3Å; V458-T462 WeakPolarHBondContact O-CG2 3.31Å; V458-T462 PolarHBondContact O-N 3.03Å; V458-T462 PolarHBondContact O-OG1 3.31Å; K459-T462 PolarHBondContact O-N 3.01Å; K459-T462 VanDerWaalsContact O-N 3.12Å; K459-T462 PolarHBondContact O-OG1 3.47Å; H460-T462 VanDerWaalsContact C-N 3.35Å; T462-R465 WeakPolarHBondContact O-CG 3.45Å
463E77.8Confident71.7Confident118 Ų11880.1 Ų80.155%0.55142%0.419SS*.Hα-helixtrans-82-31.6-174.7-68.8-179.1177.600112.3K459 R465K459-E463 WeakPolarHBondContact CE-OE1 3.39Å; K459-E463 WeakPolarHBondContact CE-OE2 3.36Å; K459-E463 HydrophobicContact CG-CG 4.12Å; K459-E463 VanDerWaalsContact CG-OE1 3.31Å; K459-E463 WeakPolarHBondContact CG-OE1 3.43Å; K459-E463 WeakPolarHBondContact CG-OE2 3.29Å; K459-E463 IonicContact NZ-OE2 3.82Å; K459-E463 WeakPolarHBondContact O-CB 3.48Å; K459-E463 WeakPolarHBondContact O-CG 3.08Å; K459-E463 PolarHBondContact O-N 3.4Å; E463-R465 PolarHBondContact O-N 3.23Å
464N61.7Low70.2Confident49 Ų4982.5 Ų82.526%0.26244%0.444SS..THydrogen-bonded Turntrans-76.433.4178-67.4-8.7000113.4H460 V468 E476H460-N464 VanDerWaalsContact O-CB 3.28Å; H460-N464 WeakPolarHBondContact O-CB 2.87Å; H460-N464 PolarHBondContact O-N 3.03Å; H460-N464 PolarHBondContact O-ND2 2.89Å; N464-V468 WeakPolarHBondContact O-CG2 3.35Å; N464-E476 PolarHBondContact ND2-O 2.65Å
465R56.9Low69.5Low156 Ų15684.5 Ų84.559%0.58945%0.451SS*.THydrogen-bonded Turntrans-82-28.5177-79.7-173.5174.8-151.8-1113.4T462 E463T462-R465 WeakPolarHBondContact O-CG 3.45Å; E463-R465 PolarHBondContact O-N 3.23Å
466D50.6Low69.1Low144 Ų14483.4 Ų83.477%0.7744%0.443SS*.SBendtrans-89.8-24.5-169.7-66.6-26.8000113.7
467D47.7Very low68.7Low127 Ų12781.8 Ų81.868%0.67944%0.438SS*.THydrogen-bonded Turntrans-89.8-7.3-176.6-67.2-30.3000114.4F469 L470D467-F469 PolarHBondContact O-N 3.46Å; D467-L470 PolarHBondContact O-N 3.04Å
468V52.5Low68.5Low78 Ų7882.6 Ų82.647%0.47345%0.447SS..Hα-helixtrans-65.8-25.1178.9-177.70000111.6N464 G472N464-V468 WeakPolarHBondContact O-CG2 3.35Å; V468-G472 WeakPolarHBondContact O-CA 3.42Å; V468-G472 PolarHBondContact O-N 3.33Å; V468-G472 VanDerWaalsContact O-N 3.09Å
469F46.2Very low68.4Low199 Ų19983.7 Ų83.787%0.87345%0.452SS*.Hα-helixtrans-80-15.7-174.6-122.1-87.9000114.7D467D467-F469 PolarHBondContact O-N 3.46Å
470L47.5Very low68.4Low161 Ų16182.5 Ų82.584%0.84345%0.448SS*.Hα-helixtrans-105.1-35.3176.9-106.585.6000113.7D467D467-L470 PolarHBondContact O-N 3.04Å
471D45.6Very low68.5Low132 Ų13281.1 Ų81.171%0.70644%0.441SS*.Hα-helixtrans-119.1-7.4-175.7-75.4-17.8000115T473D471-T473 WeakPolarHBondContact O-CB 3.33Å; D471-T473 PolarHBondContact O-N 3.12Å; D471-T473 PolarHBondContact O-OG1 3.06Å
472G44.3Very low68.8Low56 Ų5681.1 Ų81.158%0.57744%0.441SS*.SBendtrans57.41.3170.300000117.6V468V468-G472 WeakPolarHBondContact O-CA 3.42Å; V468-G472 PolarHBondContact O-N 3.33Å; V468-G472 VanDerWaalsContact O-N 3.09Å
473T51.5Low69.2Low119 Ų11979.1 Ų79.173%0.7343%0.427SS*.  trans-148.940.8-162.355.50000112.4D471 W475D471-T473 WeakPolarHBondContact O-CB 3.33Å; D471-T473 PolarHBondContact O-N 3.12Å; D471-T473 PolarHBondContact O-OG1 3.06Å; T473-W475 PolarHBondContact O-N 3.4Å
474G64.4Low70Confident52 Ų5274.3 Ų74.354%0.53641%0.407SS..  trans-61.8108.8170.400000110.4
475W81.8Confident71.6Confident48 Ų4872 Ų7218%0.18239%0.394CS..SBendtrans-58-53.3173.2162.3-110.1000110.2I347 Q350 T473 G477 G478 E480 W481 A484I347-W475 HydrophobicContact CG2-CZ2 4.45Å; Q350-W475 VanDerWaalsContact CA-CE2 3.44Å; Q350-W475 HydrophobicContact CB-CD2 3.65Å; Q350-W475 HydrophobicContact CB-CE3 3.94Å; Q350-W475 HydrophobicContact CB-CG 4.01Å; Q350-W475 HydrophobicContact CB-CH2 4.49Å; Q350-W475 HydrophobicContact CB-CZ2 4.23Å; Q350-W475 HydrophobicContact CB-CZ3 4.33Å; Q350-W475 HydrophobicContact CG-CD2 3.86Å; Q350-W475 HydrophobicContact CG-CE3 3.59Å; Q350-W475 HydrophobicContact CG-CH2 3.94Å; Q350-W475 HydrophobicContact CG-CZ2 4.18Å; Q350-W475 HydrophobicContact CG-CZ3 3.62Å; T473-W475 PolarHBondContact O-N 3.4Å; W475-G477 PolarHBondContact O-N 3.11Å; W475-G478 PolarHBondContact O-N 3.18Å; W475-E480 HydrophobicContact CE3-CB 4.3Å; W475-E480 HydrophobicContact CH2-CB 4.09Å; W475-E480 HydrophobicContact CZ3-CB 3.47Å; W475-E480 VanDerWaalsContact CZ3-CB 3.47Å; W475-E480 WeakPolarHBondContact CZ3-OE2 3.33Å; W475-W481 AromaticContact CD1-CD1 3.82Å; W475-W481 HydrophobicContact CD2-CB 4.08Å; W475-W481 AromaticContact CE2-CD1 3.62Å; W475-W481 HydrophobicContact CE3-CB 4.38Å; W475-W481 HydrophobicContact CH2-CB 4.4Å; W475-W481 HydrophobicContact CZ2-CB 4.1Å; W475-W481 HydrophobicContact CZ2-CG 4.5Å; W475-W481 AromaticContact NE1-CD1 3.32Å; W475-W481 VanDerWaalsContact NE1-CD1 3.32Å; W475-W481 WeakPolarHBondContact O-CB 3.36Å; W475-A484 HydrophobicContact CH2-CB 4.29Å; W475-A484 HydrophobicContact CZ2-CB 4.25Å
476E84.9Confident73.6Confident56 Ų5664.6 Ų64.626%0.26237%0.367SS..THydrogen-bonded Turntrans-65.9132.3179.3-62.6-168.3159.100111.9T348 H460 N464 G478T348-E476 VanDerWaalsContact CA-OE1 3.29Å; T348-E476 WeakPolarHBondContact CA-OE1 3.13Å; T348-E476 VanDerWaalsContact CB-OE1 3.32Å; T348-E476 WeakPolarHBondContact CB-OE1 3.48Å; H460-E476 IonicContact CD2-OE2 2.88Å; H460-E476 IonicContact NE2-OE2 3.13Å; N464-E476 PolarHBondContact ND2-O 2.65Å; E476-G478 PolarHBondContact O-N 3.18Å
477G84.8Confident75.8Confident4 Ų459.4 Ų59.44%0.04134%0.34CS..THydrogen-bonded Turntrans77.3-3.8-173.800000114.6R181 W475R181-G477 WeakPolarHBondContact CD-O 3.36Å; W475-G477 PolarHBondContact O-N 3.11Å
478G89.2Confident78Confident19 Ų1954.8 Ų54.820%0.19632%0.315CS..SBendtrans-77.6166.917000000113.1W475 E476 E480 W481 I482W475-G478 PolarHBondContact O-N 3.18Å; E476-G478 PolarHBondContact O-N 3.18Å; G478-E480 PolarHBondContact O-N 2.85Å; G478-W481 PolarHBondContact O-N 3.35Å; G478-I482 WeakPolarHBondContact O-CG1 3.37Å; G478-I482 PolarHBondContact O-N 3.21Å
479D92.3Very high80.2Confident52 Ų5251.1 Ų51.128%0.27829%0.293SS..Hα-helixtrans-63.2-42.4-174.5-73.1-34.4000113.7S179 P180 R181 I482 R483S179-D479 WeakPolarHBondContact CA-OD1 3.49Å; P180-D479 VanDerWaalsContact CD-OD1 3.27Å; P180-D479 WeakPolarHBondContact CD-OD1 3.47Å; R181-D479 WeakPolarHBondContact CB-OD1 3.36Å; R181-D479 PolarHBondContact N-OD1 3.41Å; D479-I482 PolarHBondContact O-N 2.94Å; D479-R483 WeakPolarHBondContact O-CG 3.28Å; D479-R483 PolarHBondContact O-N 3.1Å; D479-R483 VanDerWaalsContact O-N 3.14Å
480E90.6Very high82.7Confident71 Ų7141.7 Ų41.733%0.33225%0.252SS..Hα-helixtrans-64.6-40.5176.7-66.1-175160.800111.8Q172 Q350 W475 G478 R483 A484Q172-E480 PolarHBondContact NE2-OE1 2.76Å; Q172-E480 PolarHBondContact OE1-OE1 2.71Å; Q350-E480 PolarHBondContact NE2-OE2 2.86Å; W475-E480 HydrophobicContact CE3-CB 4.3Å; W475-E480 HydrophobicContact CH2-CB 4.09Å; W475-E480 HydrophobicContact CZ3-CB 3.47Å; W475-E480 VanDerWaalsContact CZ3-CB 3.47Å; W475-E480 WeakPolarHBondContact CZ3-OE2 3.33Å; G478-E480 PolarHBondContact O-N 2.85Å; E480-R483 PolarHBondContact O-N 3.19Å; E480-A484 WeakPolarHBondContact O-CB 3.34Å; E480-A484 PolarHBondContact O-N 3.43Å
481W92.6Very high85Confident0 Ų035 Ų350%022%0.216CC..Hα-helixtrans-63.6-44.5177.3176.183.1000111.8I347 Y456 L457 H460 W475 G478 R483 A484 Q485I347-W481 PolarHBondContact O-NE1 3.16Å; Y456-W481 HydrophobicContact CD1-CH2 4Å; Y456-W481 HydrophobicContact CD1-CZ2 4.27Å; Y456-W481 AromaticContact CE1-CH2 3.57Å; Y456-W481 HydrophobicContact CE1-CH2 3.57Å; Y456-W481 AromaticContact CE1-CZ2 3.39Å; Y456-W481 HydrophobicContact CE1-CZ2 3.39Å; Y456-W481 AromaticContact CZ-CZ2 3.86Å; L457-W481 HydrophobicContact CD2-CE3 4.38Å; L457-W481 HydrophobicContact CD2-CH2 3.8Å; L457-W481 HydrophobicContact CD2-CZ3 3.56Å; H460-W481 HydrophobicContact CB-CH2 3.69Å; H460-W481 HydrophobicContact CB-CZ2 4.42Å; H460-W481 HydrophobicContact CB-CZ3 4Å; H460-W481 AromaticContact CG-CH2 3.75Å; W475-W481 AromaticContact CD1-CD1 3.82Å; W475-W481 HydrophobicContact CD2-CB 4.08Å; W475-W481 AromaticContact CE2-CD1 3.62Å; W475-W481 HydrophobicContact CE3-CB 4.38Å; W475-W481 HydrophobicContact CH2-CB 4.4Å; W475-W481 HydrophobicContact CZ2-CB 4.1Å; W475-W481 HydrophobicContact CZ2-CG 4.5Å; W475-W481 AromaticContact NE1-CD1 3.32Å; W475-W481 VanDerWaalsContact NE1-CD1 3.32Å; W475-W481 WeakPolarHBondContact O-CB 3.36Å; G478-W481 PolarHBondContact O-N 3.35Å; W481-R483 VanDerWaalsContact C-N 3.32Å; W481-R483 PolarHBondContact O-N 3.09Å; W481-A484 WeakPolarHBondContact O-CB 3.3Å; W481-A484 PolarHBondContact O-N 2.99Å; W481-A484 VanDerWaalsContact O-N 3.11Å; W481-Q485 HydrophobicContact CD2-CG 4.04Å; W481-Q485 VanDerWaalsContact CE2-NE2 3.29Å; W481-Q485 HydrophobicContact CE3-CG 4.23Å; W481-Q485 HydrophobicContact CH2-CG 4.18Å; W481-Q485 HydrophobicContact CZ2-CG 3.99Å; W481-Q485 HydrophobicContact CZ3-CG 4.29Å; W481-Q485 WeakPolarHBondContact O-CG 3.31Å; W481-Q485 PolarHBondContact O-N 2.95Å
482I95.1Very high87.4Confident0 Ų028.7 Ų28.70%018%0.182CC..Hα-helixtrans-58.7-46.3176.5-64.9165.6000110P180 R181 I184 L224 V461 G478 D479 A484 Q485 F486P180-I482 HydrophobicContact CB-CB 3.97Å; P180-I482 HydrophobicContact CB-CD1 4.08Å; P180-I482 HydrophobicContact CB-CG2 3.66Å; R181-I482 VanDerWaalsContact CA-CD1 3.45Å; R181-I482 HydrophobicContact CB-CD1 3.93Å; I184-I482 HydrophobicContact CG1-CD1 4.27Å; I184-I482 HydrophobicContact CG1-CG2 4.28Å; L224-I482 HydrophobicContact CD2-CG2 4.11Å; V461-I482 HydrophobicContact CG2-CD1 3.78Å; V461-I482 HydrophobicContact CG2-CG1 4.36Å; G478-I482 WeakPolarHBondContact O-CG1 3.37Å; G478-I482 PolarHBondContact O-N 3.21Å; D479-I482 PolarHBondContact O-N 2.94Å; I482-A484 VanDerWaalsContact C-N 3.31Å; I482-A484 PolarHBondContact O-N 3.4Å; I482-Q485 WeakPolarHBondContact O-CB 3.26Å; I482-Q485 PolarHBondContact O-N 3.25Å; I482-Q485 VanDerWaalsContact O-N 3.15Å; I482-F486 HydrophobicContact CG2-CD2 3.93Å; I482-F486 HydrophobicContact CG2-CE2 3.96Å; I482-F486 WeakPolarHBondContact O-CD2 3.39Å; I482-F486 PolarHBondContact O-N 3.35Å
483R95.3Very high90Very high21 Ų2126 Ų268%0.07916%0.155CC..Hα-helixtrans-60.6-39.8175.7-69-177.1-176.5100-2.2112.2L178 P180 S223 D479 E480 W481 Q485 F486 T487L178-R483 PolarHBondContact O-NH2 2.76Å; P180-R483 HydrophobicContact CG-CG 4.07Å; S223-R483 WeakPolarHBondContact O-CD 3.45Å; S223-R483 PolarHBondContact O-NE 3.37Å; S223-R483 PolarHBondContact OG-NE 2.89Å; S223-R483 PolarHBondContact OG-NH2 3.38Å; S223-R483 VanDerWaalsContact OG-NH2 3.1Å; D479-R483 WeakPolarHBondContact O-CG 3.28Å; D479-R483 PolarHBondContact O-N 3.1Å; D479-R483 VanDerWaalsContact O-N 3.14Å; E480-R483 PolarHBondContact O-N 3.19Å; W481-R483 VanDerWaalsContact C-N 3.32Å; W481-R483 PolarHBondContact O-N 3.09Å; R483-Q485 VanDerWaalsContact C-N 3.34Å; R483-Q485 PolarHBondContact O-N 3.05Å; R483-F486 PolarHBondContact O-N 3.38Å; R483-T487 WeakPolarHBondContact O-CB 3.25Å; R483-T487 PolarHBondContact O-N 2.75Å; R483-T487 PolarHBondContact O-OG1 2.72Å
484A94.1Very high92.2Very high16 Ų1620.4 Ų20.413%0.13212%0.12CC..Hα-helixtrans-62.8-39.1175.200000112I347 W475 E480 W481 I482 T487 L488I347-A484 HydrophobicContact CD1-CB 3.96Å; W475-A484 HydrophobicContact CH2-CB 4.29Å; W475-A484 HydrophobicContact CZ2-CB 4.25Å; E480-A484 WeakPolarHBondContact O-CB 3.34Å; E480-A484 PolarHBondContact O-N 3.43Å; W481-A484 WeakPolarHBondContact O-CB 3.3Å; W481-A484 PolarHBondContact O-N 2.99Å; W481-A484 VanDerWaalsContact O-N 3.11Å; I482-A484 VanDerWaalsContact C-N 3.31Å; I482-A484 PolarHBondContact O-N 3.4Å; A484-T487 WeakPolarHBondContact O-CB 3.42Å; A484-T487 PolarHBondContact O-N 3.25Å; A484-L488 PolarHBondContact O-N 2.89Å
485Q96.2Very high93.6Very high1 Ų118 Ų181%0.00510%0.095CC..Hα-helixtrans-65-42.6174.9-63.1-55.4-33.300112.5I347 F453 L457 W481 I482 R483 T487 L488 Y489I347-Q485 PolarHBondContact O-NE2 3.31Å; F453-Q485 HydrophobicContact CE2-CB 3.97Å; F453-Q485 HydrophobicContact CZ-CB 4.24Å; L457-Q485 HydrophobicContact CD2-CB 3.74Å; L457-Q485 HydrophobicContact CD2-CG 3.68Å; W481-Q485 HydrophobicContact CD2-CG 4.04Å; W481-Q485 VanDerWaalsContact CE2-NE2 3.29Å; W481-Q485 HydrophobicContact CE3-CG 4.23Å; W481-Q485 HydrophobicContact CH2-CG 4.18Å; W481-Q485 HydrophobicContact CZ2-CG 3.99Å; W481-Q485 HydrophobicContact CZ3-CG 4.29Å; W481-Q485 WeakPolarHBondContact O-CG 3.31Å; W481-Q485 PolarHBondContact O-N 2.95Å; I482-Q485 WeakPolarHBondContact O-CB 3.26Å; I482-Q485 PolarHBondContact O-N 3.25Å; I482-Q485 VanDerWaalsContact O-N 3.15Å; R483-Q485 VanDerWaalsContact C-N 3.34Å; R483-Q485 PolarHBondContact O-N 3.05Å; Q485-T487 VanDerWaalsContact C-N 3.33Å; Q485-L488 PolarHBondContact O-N 2.95Å; Q485-Y489 WeakPolarHBondContact O-CB 3.39Å; Q485-Y489 PolarHBondContact O-N 2.99Å
486F97.9Very high94.3Very high1 Ų115.7 Ų15.70%0.0049%0.087CC..Hα-helixtrans-67-34.8174.1-85-86.8000112.3I184 V191 L192 F195 L224 F453 L457 I482 R483 Y489 L490I184-F486 HydrophobicContact CD1-CE2 4.47Å; V191-F486 HydrophobicContact CG1-CE2 4.34Å; V191-F486 HydrophobicContact CG1-CZ 3.78Å; L192-F486 HydrophobicContact CD1-CE1 4.18Å; F195-F486 HydrophobicContact CB-CE1 4.02Å; F195-F486 HydrophobicContact CD1-CD1 4.37Å; F195-F486 HydrophobicContact CD1-CE1 4.48Å; F195-F486 AromaticContact CD2-CD1 3.64Å; F195-F486 HydrophobicContact CD2-CD1 3.64Å; F195-F486 AromaticContact CD2-CE1 3.94Å; F195-F486 HydrophobicContact CD2-CE1 3.94Å; F195-F486 AromaticContact CE2-CD1 3.82Å; F195-F486 HydrophobicContact CE2-CD1 3.82Å; F195-F486 AromaticContact CG-CD1 3.94Å; F195-F486 HydrophobicContact CG-CD1 3.94Å; F195-F486 AromaticContact CG-CE1 3.89Å; F195-F486 HydrophobicContact CG-CE1 3.89Å; F195-F486 HydrophobicContact CZ-CD1 4.27Å; L224-F486 HydrophobicContact CB-CB 4.31Å; L224-F486 HydrophobicContact CB-CD1 4.27Å; L224-F486 HydrophobicContact CB-CD2 4.42Å; L224-F486 HydrophobicContact CB-CG 4.09Å; L224-F486 HydrophobicContact CD1-CD1 4.4Å; L224-F486 HydrophobicContact CD1-CD2 4.32Å; L224-F486 HydrophobicContact CD1-CE1 4.12Å; L224-F486 HydrophobicContact CD1-CE2 4.02Å; L224-F486 HydrophobicContact CD1-CZ 3.92Å; L224-F486 HydrophobicContact CD2-CD2 3.74Å; L224-F486 HydrophobicContact CD2-CE2 3.98Å; L224-F486 HydrophobicContact CD2-CG 4.25Å; L224-F486 HydrophobicContact CG-CD2 4.39Å; L224-F486 WeakPolarHBondContact O-CB 3.3Å; F453-F486 HydrophobicContact CE1-CD1 4.43Å; F453-F486 HydrophobicContact CE1-CE1 4.06Å; F453-F486 HydrophobicContact CE1-CE2 4.32Å; F453-F486 AromaticContact CE1-CZ 3.99Å; F453-F486 HydrophobicContact CE1-CZ 3.99Å; F453-F486 HydrophobicContact CZ-CD1 4.4Å; F453-F486 HydrophobicContact CZ-CD2 4.3Å; F453-F486 HydrophobicContact CZ-CE1 4.45Å; F453-F486 HydrophobicContact CZ-CE2 4.35Å; F453-F486 HydrophobicContact CZ-CG 4.33Å; F453-F486 HydrophobicContact CZ-CZ 4.41Å; L457-F486 HydrophobicContact CD1-CD2 4.27Å; L457-F486 HydrophobicContact CD1-CE2 3.54Å; L457-F486 HydrophobicContact CD1-CZ 4.08Å; I482-F486 HydrophobicContact CG2-CD2 3.93Å; I482-F486 HydrophobicContact CG2-CE2 3.96Å; I482-F486 WeakPolarHBondContact O-CD2 3.39Å; I482-F486 PolarHBondContact O-N 3.35Å; R483-F486 PolarHBondContact O-N 3.38Å; F486-Y489 PolarHBondContact O-N 3.35Å; F486-L490 WeakPolarHBondContact O-CB 3.4Å; F486-L490 PolarHBondContact O-N 2.83Å
487T96.4Very high94.9Very high34 Ų3413.1 Ų13.121%0.2098%0.075CC..Hα-helixtrans-60.3-48.8172-55.70000110.5P226 R483 A484 Q485 Y489 L490 H491P226-T487 HydrophobicContact CB-CG2 4.33Å; P226-T487 HydrophobicContact CG-CG2 3.77Å; P226-T487 WeakPolarHBondContact CG-OG1 3.2Å; R483-T487 WeakPolarHBondContact O-CB 3.25Å; R483-T487 PolarHBondContact O-N 2.75Å; R483-T487 PolarHBondContact O-OG1 2.72Å; A484-T487 WeakPolarHBondContact O-CB 3.42Å; A484-T487 PolarHBondContact O-N 3.25Å; Q485-T487 VanDerWaalsContact C-N 3.33Å; T487-Y489 PolarHBondContact O-N 3.49Å; T487-L490 PolarHBondContact O-N 2.91Å; T487-H491 VanDerWaalsContact O-CB 3.32Å; T487-H491 WeakPolarHBondContact O-CB 3.47Å; T487-H491 VanDerWaalsContact O-CG 3.28Å; T487-H491 PolarHBondContact O-N 2.99Å
488L95.6Very high95.3Very high31 Ų3116.4 Ų16.416%0.1629%0.091CC..Hα-helixtrans-59.9-46.6175.7177.161.8000111.5I347 A484 Q485 L490 H491 S492 P542I347-L488 HydrophobicContact CD1-CB 4.09Å; I347-L488 HydrophobicContact CG1-CB 4.45Å; I347-L488 HydrophobicContact CG1-CD2 3.97Å; A484-L488 PolarHBondContact O-N 2.89Å; Q485-L488 PolarHBondContact O-N 2.95Å; L488-L490 VanDerWaalsContact C-N 3.31Å; L488-L490 PolarHBondContact O-N 3.45Å; L488-H491 PolarHBondContact O-N 3.35Å; L488-S492 WeakPolarHBondContact O-CB 3.13Å; L488-S492 PolarHBondContact O-N 3.36Å; L488-S492 PolarHBondContact O-OG 3.3Å; L488-P542 HydrophobicContact CD2-CB 4.38Å; L488-P542 HydrophobicContact CD2-CG 4.46Å; L488-P542 HydrophobicContact CG-CG 4.12Å
489Y97.8Very high95.5Very high1 Ų119.3 Ų19.30%0.00410%0.099CC..Hα-helixtrans-54.4-48.1177.1-177.6-79.7000111.5L192 F195 K196 D450 F453 Q485 F486 T487 L493 Y509 H541L192-Y489 HydrophobicContact CD1-CE1 4.22Å; L192-Y489 HydrophobicContact CD1-CE2 4.13Å; L192-Y489 HydrophobicContact CD2-CE2 4.38Å; F195-Y489 HydrophobicContact CE1-CD1 4.37Å; K196-Y489 WeakPolarHBondContact CE-OH 3.2Å; K196-Y489 PolarHBondContact NZ-OH 2.92Å; D450-Y489 PolarHBondContact OD1-OH 3.12Å; F453-Y489 HydrophobicContact CD1-CD2 4.07Å; F453-Y489 HydrophobicContact CD1-CE2 4.38Å; F453-Y489 HydrophobicContact CD2-CD2 4.15Å; F453-Y489 HydrophobicContact CE1-CD2 4.13Å; F453-Y489 HydrophobicContact CE2-CD2 4.22Å; F453-Y489 HydrophobicContact CG-CD2 4.07Å; F453-Y489 HydrophobicContact CZ-CD2 4.21Å; F453-Y489 HydrophobicContact CZ-CG 4.44Å; Q485-Y489 WeakPolarHBondContact O-CB 3.39Å; Q485-Y489 PolarHBondContact O-N 2.99Å; F486-Y489 PolarHBondContact O-N 3.35Å; T487-Y489 PolarHBondContact O-N 3.49Å; Y489-L493 WeakPolarHBondContact O-CB 3.44Å; Y489-L493 PolarHBondContact O-N 3.4Å; Y489-Y509 HydrophobicContact CD1-CE1 4.29Å; Y489-Y509 HydrophobicContact CD2-CE1 4.46Å; Y489-Y509 AromaticContact CE1-CD1 3.98Å; Y489-Y509 HydrophobicContact CE1-CD1 3.98Å; Y489-Y509 AromaticContact CE1-CE1 3.8Å; Y489-Y509 HydrophobicContact CE1-CE1 3.8Å; Y489-Y509 HydrophobicContact CE2-CD1 4.3Å; Y489-Y509 HydrophobicContact CE2-CE1 4.02Å; Y489-Y509 AromaticContact CZ-CD1 3.63Å; Y489-Y509 AromaticContact CZ-CE1 3.64Å; Y489-Y509 PolarHBondContact O-OH 3.39Å; Y489-Y509 WeakPolarHBondContact OH-CD1 3.24Å; Y489-H541 AromaticContact CE2-CD2 3.96Å; Y489-H541 AromaticContact CE2-NE2 3.28Å; Y489-H541 VanDerWaalsContact CE2-NE2 3.28Å; Y489-H541 WeakPolarHBondContact CE2-NE2 3.48Å
490L98.1Very high95.2Very high1 Ų126 Ų261%0.00513%0.129CC..Hα-helixtrans-70-45.4-179.4-174.262.3000112.1F195 L199 P226 L375 L377 F486 T487 L488 S492 L493 L494F195-L490 HydrophobicContact CZ-CB 4.42Å; F195-L490 HydrophobicContact CZ-CD1 4.46Å; L199-L490 HydrophobicContact CD1-CD1 4.26Å; P226-L490 HydrophobicContact CG-CD2 4.42Å; L375-L490 HydrophobicContact CD2-CD2 4.09Å; L377-L490 HydrophobicContact CD1-CD1 4Å; L377-L490 HydrophobicContact CD1-CD2 4.07Å; F486-L490 WeakPolarHBondContact O-CB 3.4Å; F486-L490 PolarHBondContact O-N 2.83Å; T487-L490 PolarHBondContact O-N 2.91Å; L488-L490 VanDerWaalsContact C-N 3.31Å; L488-L490 PolarHBondContact O-N 3.45Å; L490-S492 VanDerWaalsContact C-N 3.34Å; L490-S492 PolarHBondContact O-N 2.98Å; L490-L493 HydrophobicContact CD1-CD2 4.4Å; L490-L493 WeakPolarHBondContact O-CB 3.29Å; L490-L493 PolarHBondContact O-N 3.3Å; L490-L494 HydrophobicContact CD1-CD1 4.36Å; L490-L494 HydrophobicContact CD1-CG 4.32Å; L490-L494 HydrophobicContact CG-CD1 3.96Å; L490-L494 HydrophobicContact CG-CG 4.36Å; L490-L494 WeakPolarHBondContact O-CB 3.12Å; L490-L494 VanDerWaalsContact O-CG 3.25Å; L490-L494 WeakPolarHBondContact O-CG 3.37Å; L490-L494 PolarHBondContact O-N 3.24Å
491H96.4Very high94.8Very high19 Ų1929.5 Ų29.59%0.08815%0.15CC..Hα-helixtrans-56.3-48.1175.3-78.1-173.7000111.4Y373 L375 T487 L488 L493 L494 S495 I537Y373-H491 AromaticContact CD2-CE1 3.81Å; Y373-H491 AromaticContact CD2-NE2 3.99Å; Y373-H491 AromaticContact CG-CE1 3.89Å; Y373-H491 AromaticContact CG-NE2 3.85Å; L375-H491 WeakPolarHBondContact CD1-NE2 3.29Å; T487-H491 VanDerWaalsContact O-CB 3.32Å; T487-H491 WeakPolarHBondContact O-CB 3.47Å; T487-H491 VanDerWaalsContact O-CG 3.28Å; T487-H491 PolarHBondContact O-N 2.99Å; L488-H491 PolarHBondContact O-N 3.35Å; H491-L493 VanDerWaalsContact C-N 3.33Å; H491-L493 PolarHBondContact O-N 3.26Å; H491-L494 PolarHBondContact O-N 3.44Å; H491-S495 WeakPolarHBondContact O-CB 3.32Å; H491-S495 PolarHBondContact O-N 3.04Å; H491-I537 HydrophobicContact CB-CD1 4.31Å; H491-I537 HydrophobicContact CB-CG1 4.37Å; H491-I537 HydrophobicContact CB-CG2 3.84Å
492S96.6Very high94.7Very high1 Ų130.9 Ų30.91%0.00716%0.157CC..Hα-helixtrans-63.9-37177.5-72.80000112.4L488 L490 S496 Y509 T538 G540L488-S492 WeakPolarHBondContact O-CB 3.13Å; L488-S492 PolarHBondContact O-N 3.36Å; L488-S492 PolarHBondContact O-OG 3.3Å; L490-S492 VanDerWaalsContact C-N 3.34Å; L490-S492 PolarHBondContact O-N 2.98Å; S492-S496 WeakPolarHBondContact O-CB 2.94Å; S492-S496 PolarHBondContact O-N 3.08Å; S492-S496 PolarHBondContact O-OG 3.46Å; S492-Y509 VanDerWaalsContact C-OH 3.28Å; S492-Y509 WeakPolarHBondContact CB-OH 3.46Å; S492-T538 PolarHBondContact OG-O 3.12Å; S492-T538 VanDerWaalsContact OG-O 3.13Å; S492-G540 WeakPolarHBondContact CB-O 3.45Å
493L97.9Very high94.5Very high0 Ų038.7 Ų38.70%019%0.194CC..Hα-helixtrans-62.7-48.5174.617259.6000111.2L199 Y489 L490 H491 S496 A497 L506 Y509 F513 I514 W517L199-L493 HydrophobicContact CD2-CD2 4.01Å; Y489-L493 WeakPolarHBondContact O-CB 3.44Å; Y489-L493 PolarHBondContact O-N 3.4Å; L490-L493 HydrophobicContact CD1-CD2 4.4Å; L490-L493 WeakPolarHBondContact O-CB 3.29Å; L490-L493 PolarHBondContact O-N 3.3Å; H491-L493 VanDerWaalsContact C-N 3.33Å; H491-L493 PolarHBondContact O-N 3.26Å; L493-S496 WeakPolarHBondContact O-CB 3.42Å; L493-S496 PolarHBondContact O-N 2.67Å; L493-A497 PolarHBondContact O-N 3.02Å; L493-A497 VanDerWaalsContact O-N 3.08Å; L493-L506 HydrophobicContact CD1-CD2 3.82Å; L493-Y509 WeakPolarHBondContact CA-OH 3.5Å; L493-Y509 HydrophobicContact CB-CD1 4.27Å; L493-Y509 HydrophobicContact CB-CE1 3.68Å; L493-Y509 HydrophobicContact CD1-CD1 3.85Å; L493-Y509 HydrophobicContact CD1-CD2 4.07Å; L493-Y509 HydrophobicContact CD1-CE1 4.08Å; L493-Y509 HydrophobicContact CD1-CE2 4.27Å; L493-Y509 HydrophobicContact CD1-CG 3.84Å; L493-Y509 HydrophobicContact CG-CD1 4.44Å; L493-Y509 HydrophobicContact CG-CE1 4.34Å; L493-Y509 PolarHBondContact N-OH 2.98Å; L493-F513 HydrophobicContact CD2-CE1 4.37Å; L493-I514 HydrophobicContact CD1-CD1 3.5Å; L493-W517 HydrophobicContact CD1-CE3 4.2Å; L493-W517 HydrophobicContact CD1-CH2 4.1Å; L493-W517 HydrophobicContact CD1-CZ3 3.66Å; L493-W517 HydrophobicContact CD2-CE3 4.39Å; L493-W517 HydrophobicContact CD2-CH2 4.01Å; L493-W517 HydrophobicContact CD2-CZ2 4.16Å; L493-W517 HydrophobicContact CD2-CZ3 4.14Å; L493-W517 HydrophobicContact CG-CE3 4.45Å; L493-W517 HydrophobicContact CG-CH2 3.67Å; L493-W517 HydrophobicContact CG-CZ2 4.29Å; L493-W517 HydrophobicContact CG-CZ3 3.77Å
494L97.3Very high94.2Very high0 Ų048.1 Ų48.10%023%0.229CC..Hα-helixtrans-63.8-46.6179.2-69.6174.2000111.6L375 L377 L490 H491 S496 A497 L498 W517 W526 M534L375-L494 HydrophobicContact CD2-CD1 4.02Å; L377-L494 HydrophobicContact CD2-CD1 4.4Å; L377-L494 HydrophobicContact CD2-CD2 4.34Å; L490-L494 HydrophobicContact CD1-CD1 4.36Å; L490-L494 HydrophobicContact CD1-CG 4.32Å; L490-L494 HydrophobicContact CG-CD1 3.96Å; L490-L494 HydrophobicContact CG-CG 4.36Å; L490-L494 WeakPolarHBondContact O-CB 3.12Å; L490-L494 VanDerWaalsContact O-CG 3.25Å; L490-L494 WeakPolarHBondContact O-CG 3.37Å; L490-L494 PolarHBondContact O-N 3.24Å; H491-L494 PolarHBondContact O-N 3.44Å; L494-S496 VanDerWaalsContact C-N 3.32Å; L494-S496 PolarHBondContact O-N 3Å; L494-A497 WeakPolarHBondContact O-CB 3.32Å; L494-A497 PolarHBondContact O-N 2.94Å; L494-A497 VanDerWaalsContact O-N 3.14Å; L494-L498 PolarHBondContact O-N 3.44Å; L494-W517 HydrophobicContact CD2-CH2 3.84Å; L494-W517 HydrophobicContact CD2-CZ2 3.69Å; L494-W526 HydrophobicContact CB-CH2 3.57Å; L494-W526 HydrophobicContact CB-CZ2 3.65Å; L494-W526 HydrophobicContact CB-CZ3 4.26Å; L494-W526 HydrophobicContact CD1-CZ2 4.03Å; L494-W526 HydrophobicContact CD2-CD2 3.74Å; L494-W526 HydrophobicContact CD2-CE3 3.66Å; L494-W526 HydrophobicContact CD2-CH2 3.78Å; L494-W526 HydrophobicContact CD2-CZ2 3.85Å; L494-W526 HydrophobicContact CD2-CZ3 3.68Å; L494-W526 HydrophobicContact CG-CH2 4.16Å; L494-W526 HydrophobicContact CG-CZ2 4.04Å; L494-M534 HydrophobicContact CB-CE 4.1Å; L494-M534 HydrophobicContact CB-SD 4.1Å; L494-M534 HydrophobicContact CD1-CE 4.39Å
495S95.8Very high94.1Very high2 Ų249.5 Ų49.51%0.01424%0.235CC..Hα-helixtrans-60.8-40.3176.21800000111.9H491 A497 L498 Q499 I537H491-S495 WeakPolarHBondContact O-CB 3.32Å; H491-S495 PolarHBondContact O-N 3.04Å; S495-A497 VanDerWaalsContact C-N 3.32Å; S495-A497 PolarHBondContact O-N 2.82Å; S495-L498 PolarHBondContact O-N 3.43Å; S495-Q499 PolarHBondContact O-NE2 3.39Å; S495-I537 PolarHBondContact OG-O 2.93Å
496S96.2Very high94.1Very high0 Ų049.7 Ų49.70%024%0.235CC..Hα-helixtrans-60.4-41.7174.4-56.60000111.8S492 L493 L494 L498 Q499 N502 G540S492-S496 WeakPolarHBondContact O-CB 2.94Å; S492-S496 PolarHBondContact O-N 3.08Å; S492-S496 PolarHBondContact O-OG 3.46Å; L493-S496 WeakPolarHBondContact O-CB 3.42Å; L493-S496 PolarHBondContact O-N 2.67Å; L494-S496 VanDerWaalsContact C-N 3.32Å; L494-S496 PolarHBondContact O-N 3Å; S496-L498 PolarHBondContact O-N 3.09Å; S496-Q499 PolarHBondContact O-N 3.3Å; S496-N502 WeakPolarHBondContact O-CB 3.45Å; S496-G540 PolarHBondContact OG-N 3Å
497A95.9Very high93.9Very high2 Ų251.6 Ų51.62%0.01725%0.252CS..Hα-helixtrans-64.8-25.3-178.800000113.5L493 L494 S495 N502 W517 F523L493-A497 PolarHBondContact O-N 3.02Å; L493-A497 VanDerWaalsContact O-N 3.08Å; L494-A497 WeakPolarHBondContact O-CB 3.32Å; L494-A497 PolarHBondContact O-N 2.94Å; L494-A497 VanDerWaalsContact O-N 3.14Å; S495-A497 VanDerWaalsContact C-N 3.32Å; S495-A497 PolarHBondContact O-N 2.82Å; A497-N502 PolarHBondContact O-ND2 3.15Å; A497-N502 VanDerWaalsContact O-ND2 3.08Å; A497-W517 HydrophobicContact CB-CH2 4.3Å; A497-W517 HydrophobicContact CB-CZ3 4.2Å; A497-F523 HydrophobicContact CB-CE2 3.99Å; A497-F523 HydrophobicContact CB-CZ 4.48Å
498L94.8Very high93.8Very high73 Ų7352.8 Ų52.838%0.38226%0.257SS..THydrogen-bonded Turntrans-80.9-12.8178-63.9179.3000114.2L494 S495 S496 W526 F527 M534L494-L498 PolarHBondContact O-N 3.44Å; S495-L498 PolarHBondContact O-N 3.43Å; S496-L498 PolarHBondContact O-N 3.09Å; L498-W526 HydrophobicContact CD1-CH2 3.97Å; L498-W526 HydrophobicContact CD2-CH2 3.99Å; L498-W526 HydrophobicContact CD2-CZ3 4.11Å; L498-W526 HydrophobicContact CG-CH2 3.87Å; L498-W526 HydrophobicContact CG-CZ3 4.37Å; L498-F527 HydrophobicContact CD2-CD2 3.9Å; L498-F527 HydrophobicContact CD2-CE2 3.75Å; L498-M534 HydrophobicContact CD1-CB 3.94Å; L498-M534 HydrophobicContact CD1-CG 3.52Å
499Q93.3Very high93.8Very high79 Ų7951.3 Ų51.337%0.36925%0.249SC..SBendtrans-73.1149-178.6-56.3-54.6-44.100111.9S495 S496 N502 L505 P539S495-Q499 PolarHBondContact O-NE2 3.39Å; S496-Q499 PolarHBondContact O-N 3.3Å; Q499-N502 HydrophobicContact CB-CB 4.29Å; Q499-N502 WeakPolarHBondContact O-CB 3.17Å; Q499-N502 PolarHBondContact O-ND2 2.85Å; Q499-L505 HydrophobicContact CB-CD1 4Å; Q499-L505 HydrophobicContact CG-CD1 3.78Å; Q499-P539 HydrophobicContact CG-CB 4Å; Q499-P539 HydrophobicContact CG-CG 4.24Å
500Q85.1Confident93.8Very high193 Ų19351.7 Ų51.790%0.90225%0.253SS*.THydrogen-bonded Turntrans-65-40.2178.8-70.6-178.81.100111.9
501D82.8Confident93.7Very high145 Ų14556.5 Ų56.578%0.77528%0.283SS*.THydrogen-bonded Turntrans-106.656.5177.3-63.9-37.4000111.6E503D501-E503 VanDerWaalsContact C-N 3.34Å; D501-E503 PolarHBondContact O-N 2.83Å
502N91.1Very high93.7Very high28 Ų2858.5 Ų58.515%0.1530%0.297CS..Hα-helixtrans-75.7-13.3-170.863.332.4000115.5S496 A497 Q499 R504 L505 L506 K518S496-N502 WeakPolarHBondContact O-CB 3.45Å; A497-N502 PolarHBondContact O-ND2 3.15Å; A497-N502 VanDerWaalsContact O-ND2 3.08Å; Q499-N502 HydrophobicContact CB-CB 4.29Å; Q499-N502 WeakPolarHBondContact O-CB 3.17Å; Q499-N502 PolarHBondContact O-ND2 2.85Å; N502-R504 PolarHBondContact O-N 2.85Å; N502-L505 PolarHBondContact O-N 2.67Å; N502-L506 HydrophobicContact CB-CD1 3.75Å; N502-L506 HydrophobicContact CB-CG 4.22Å; N502-L506 VanDerWaalsContact O-CB 3.27Å; N502-L506 WeakPolarHBondContact O-CB 3.32Å; N502-L506 WeakPolarHBondContact O-CG 3.28Å; N502-L506 PolarHBondContact O-N 2.9Å; N502-K518 PolarHBondContact OD1-NZ 2.79Å
503E90.5Very high93.8Very high164 Ų16458.6 Ų58.677%0.76630%0.297SS*.Hα-helixtrans-58.7-46.7-173.4-65.4-174.5172.400112.7D501 L506 A507D501-E503 VanDerWaalsContact C-N 3.34Å; D501-E503 PolarHBondContact O-N 2.83Å; E503-L506 PolarHBondContact O-N 2.91Å; E503-A507 WeakPolarHBondContact O-CB 2.99Å; E503-A507 PolarHBondContact O-N 2.8Å
504R89.4Confident93.8Very high219 Ų21959.1 Ų59.183%0.82630%0.3SS*.Hα-helixtrans-66.7-40.1179.4-175.1177176173.6-1.8112N502 L506N502-R504 PolarHBondContact O-N 2.85Å; R504-L506 VanDerWaalsContact C-N 3.33Å
505L91.3Very high93.8Very high46 Ų4660.9 Ų60.924%0.24132%0.319CS..Hα-helixtrans-68.7-34.7-179.8-63.6169.8000111.9Q499 N502 P539Q499-L505 HydrophobicContact CB-CD1 4Å; Q499-L505 HydrophobicContact CG-CD1 3.78Å; N502-L505 PolarHBondContact O-N 2.67Å; L505-P539 HydrophobicContact CD1-CB 4.22Å
506L95.3Very high93.9Very high4 Ų462.1 Ų62.12%0.02133%0.329CS..Hα-helixtrans-85.2-18.8-178.5-68.6173.7000113.1L493 N502 E503 R504 D508 Y509 I514L493-L506 HydrophobicContact CD1-CD2 3.82Å; N502-L506 HydrophobicContact CB-CD1 3.75Å; N502-L506 HydrophobicContact CB-CG 4.22Å; N502-L506 VanDerWaalsContact O-CB 3.27Å; N502-L506 WeakPolarHBondContact O-CB 3.32Å; N502-L506 WeakPolarHBondContact O-CG 3.28Å; N502-L506 PolarHBondContact O-N 2.9Å; E503-L506 PolarHBondContact O-N 2.91Å; R504-L506 VanDerWaalsContact C-N 3.33Å; L506-D508 PolarHBondContact O-N 3.43Å; L506-Y509 HydrophobicContact CD2-CD2 4.48Å; L506-Y509 WeakPolarHBondContact O-CB 3.43Å; L506-Y509 PolarHBondContact O-N 2.93Å; L506-I514 HydrophobicContact CB-CD1 4.5Å; L506-I514 HydrophobicContact CB-CG1 4.13Å; L506-I514 HydrophobicContact CB-CG2 4.13Å; L506-I514 HydrophobicContact CD1-CG2 3.88Å; L506-I514 HydrophobicContact CD2-CD1 4.04Å; L506-I514 HydrophobicContact CG-CG2 4.45Å
507A93.9Very high94Very high42 Ų4262.1 Ų62.135%0.34733%0.329SS..Hα-helixtrans-56.9-37-17900000112.8E503 Y509 G510 V511E503-A507 WeakPolarHBondContact O-CB 2.99Å; E503-A507 PolarHBondContact O-N 2.8Å; A507-Y509 PolarHBondContact O-N 3.03Å; A507-G510 WeakPolarHBondContact O-CA 3.45Å; A507-G510 PolarHBondContact O-N 3.14Å; A507-V511 HydrophobicContact CB-CG2 4.31Å
508D94.6Very high94.1Very high58 Ų5865 Ų6531%0.3134%0.341SS..THydrogen-bonded Turntrans-69.2-15.3178.9-79.3-37.9000113.8T447 A449 L506 H541 Q544T447-D508 WeakPolarHBondContact CB-O 3.2Å; T447-D508 WeakPolarHBondContact CG2-O 3.05Å; T447-D508 PolarHBondContact OG1-O 2.89Å; A449-D508 HydrophobicContact CB-CB 4.03Å; L506-D508 PolarHBondContact O-N 3.43Å; D508-H541 HydrophobicContact CB-CB 3.66Å; D508-Q544 VanDerWaalsContact OD2-CB 3.26Å; D508-Q544 WeakPolarHBondContact OD2-CB 3.17Å
509Y96.4Very high94.2Very high0 Ų067.7 Ų67.70%036%0.356CS..THydrogen-bonded Turntrans-87.2-9.3170.6-67.4-90.3000113.1K196 Y489 S492 L493 L506 A507 I514 G540 H541K196-Y509 PolarHBondContact NZ-O 3.39Å; Y489-Y509 HydrophobicContact CD1-CE1 4.29Å; Y489-Y509 HydrophobicContact CD2-CE1 4.46Å; Y489-Y509 AromaticContact CE1-CD1 3.98Å; Y489-Y509 HydrophobicContact CE1-CD1 3.98Å; Y489-Y509 AromaticContact CE1-CE1 3.8Å; Y489-Y509 HydrophobicContact CE1-CE1 3.8Å; Y489-Y509 HydrophobicContact CE2-CD1 4.3Å; Y489-Y509 HydrophobicContact CE2-CE1 4.02Å; Y489-Y509 AromaticContact CZ-CD1 3.63Å; Y489-Y509 AromaticContact CZ-CE1 3.64Å; Y489-Y509 PolarHBondContact O-OH 3.39Å; Y489-Y509 WeakPolarHBondContact OH-CD1 3.24Å; S492-Y509 VanDerWaalsContact C-OH 3.28Å; S492-Y509 WeakPolarHBondContact CB-OH 3.46Å; L493-Y509 WeakPolarHBondContact CA-OH 3.5Å; L493-Y509 HydrophobicContact CB-CD1 4.27Å; L493-Y509 HydrophobicContact CB-CE1 3.68Å; L493-Y509 HydrophobicContact CD1-CD1 3.85Å; L493-Y509 HydrophobicContact CD1-CD2 4.07Å; L493-Y509 HydrophobicContact CD1-CE1 4.08Å; L493-Y509 HydrophobicContact CD1-CE2 4.27Å; L493-Y509 HydrophobicContact CD1-CG 3.84Å; L493-Y509 HydrophobicContact CG-CD1 4.44Å; L493-Y509 HydrophobicContact CG-CE1 4.34Å; L493-Y509 PolarHBondContact N-OH 2.98Å; L506-Y509 HydrophobicContact CD2-CD2 4.48Å; L506-Y509 WeakPolarHBondContact O-CB 3.43Å; L506-Y509 PolarHBondContact O-N 2.93Å; A507-Y509 PolarHBondContact O-N 3.03Å; Y509-I514 HydrophobicContact CG-CD1 4.47Å; Y509-G540 PolarHBondContact OH-O 2.81Å; Y509-H541 AromaticContact CD1-CD2 3.61Å; Y509-H541 HydrophobicContact CD2-CB 4.1Å; Y509-H541 HydrophobicContact CE1-CB 4.45Å; Y509-H541 AromaticContact CE1-CD2 3.57Å; Y509-H541 HydrophobicContact CE2-CB 3.66Å; Y509-H541 AromaticContact CG-CD2 3.95Å; Y509-H541 AromaticContact CZ-CD2 3.88Å; Y509-H541 WeakPolarHBondContact OH-CA 3.16Å
510G96.4Very high94.4Very high9 Ų964.4 Ų64.49%0.09334%0.341CS..  trans99.7111.3-178.700000112.2A507 F513 I514A507-G510 WeakPolarHBondContact O-CA 3.45Å; A507-G510 PolarHBondContact O-N 3.14Å; G510-F513 WeakPolarHBondContact O-CB 3.49Å; G510-F513 PolarHBondContact O-N 3.41Å; G510-F513 VanDerWaalsContact O-N 3.07Å; G510-I514 WeakPolarHBondContact O-CG1 3.41Å; G510-I514 PolarHBondContact O-N 3.14Å
511V96.2Very high95Very high103 Ų10357 Ų5762%0.62431%0.306SS*.Hα-helixtrans-52.7-46.3-178.7178.80000113.3A507 F513 I514 G515A507-V511 HydrophobicContact CB-CG2 4.31Å; V511-F513 PolarHBondContact O-N 3.08Å; V511-I514 PolarHBondContact O-N 3.09Å; V511-G515 PolarHBondContact O-N 2.77Å
512P97.5Very high95.7Very high61 Ų6150.1 Ų50.140%0.39627%0.27SS..Hα-helixtrans-64.6-38.9178-21.735000113I443 A516I443-P512 HydrophobicContact CG1-CB 4.16Å; P512-A516 PolarHBondContact O-N 3.17Å; P512-A516 VanDerWaalsContact O-N 3.07Å
513F98.5Very high96Very high2 Ų249.6 Ų49.61%0.00927%0.266CS..Hα-helixtrans-60.8-48.9175.2169.8-105.9000111.4K196 L199 L200 I443 L493 G510 V511 G515 A516 W517K196-F513 HydrophobicContact CB-CD2 4.15Å; K196-F513 HydrophobicContact CB-CE2 3.55Å; K196-F513 HydrophobicContact CB-CZ 4.07Å; K196-F513 HydrophobicContact CD-CD1 4.28Å; K196-F513 HydrophobicContact CD-CD2 3.93Å; K196-F513 HydrophobicContact CD-CE1 4.18Å; K196-F513 HydrophobicContact CD-CE2 3.83Å; K196-F513 HydrophobicContact CD-CG 4.15Å; K196-F513 HydrophobicContact CD-CZ 3.94Å; K196-F513 HydrophobicContact CG-CD2 4.25Å; K196-F513 HydrophobicContact CG-CE1 4.35Å; K196-F513 HydrophobicContact CG-CE2 3.65Å; K196-F513 HydrophobicContact CG-CZ 3.69Å; L199-F513 HydrophobicContact CD2-CZ 3.8Å; L200-F513 HydrophobicContact CD1-CD2 4.14Å; L200-F513 HydrophobicContact CD1-CE2 4.35Å; L200-F513 HydrophobicContact CD2-CD2 4.02Å; L200-F513 HydrophobicContact CD2-CE2 3.94Å; L200-F513 HydrophobicContact CG-CD2 4.12Å; L200-F513 HydrophobicContact CG-CE2 3.9Å; I443-F513 HydrophobicContact CG2-CB 4.47Å; I443-F513 WeakPolarHBondContact O-CB 3.4Å; L493-F513 HydrophobicContact CD2-CE1 4.37Å; G510-F513 WeakPolarHBondContact O-CB 3.49Å; G510-F513 PolarHBondContact O-N 3.41Å; G510-F513 VanDerWaalsContact O-N 3.07Å; V511-F513 PolarHBondContact O-N 3.08Å; F513-G515 PolarHBondContact O-N 3.18Å; F513-A516 PolarHBondContact O-N 3.31Å; F513-W517 HydrophobicContact CZ-CB 4.36Å; F513-W517 WeakPolarHBondContact O-CB 3.48Å; F513-W517 PolarHBondContact O-N 2.71Å
514I98.3Very high96.3Very high11 Ų1149.5 Ų49.56%0.05626%0.259CS..Hα-helixtrans-63.6-42.4-179.4-66.1-60.4000111.6L493 L506 Y509 G510 V511 A516 W517 K518L493-I514 HydrophobicContact CD1-CD1 3.5Å; L506-I514 HydrophobicContact CB-CD1 4.5Å; L506-I514 HydrophobicContact CB-CG1 4.13Å; L506-I514 HydrophobicContact CB-CG2 4.13Å; L506-I514 HydrophobicContact CD1-CG2 3.88Å; L506-I514 HydrophobicContact CD2-CD1 4.04Å; L506-I514 HydrophobicContact CG-CG2 4.45Å; Y509-I514 HydrophobicContact CG-CD1 4.47Å; G510-I514 WeakPolarHBondContact O-CG1 3.41Å; G510-I514 PolarHBondContact O-N 3.14Å; V511-I514 PolarHBondContact O-N 3.09Å; I514-A516 VanDerWaalsContact C-N 3.31Å; I514-A516 PolarHBondContact O-N 2.78Å; I514-W517 HydrophobicContact CD1-CE3 3.97Å; I514-W517 HydrophobicContact CD1-CZ3 4.36Å; I514-W517 PolarHBondContact O-N 2.89Å; I514-K518 HydrophobicContact CG2-CD 4.17Å; I514-K518 HydrophobicContact CG2-CG 4.38Å; I514-K518 WeakPolarHBondContact O-CB 3.37Å; I514-K518 WeakPolarHBondContact O-CG 3.46Å; I514-K518 PolarHBondContact O-N 2.9Å
515G97.5Very high96.6Very high38 Ų3839.6 Ų39.639%0.39222%0.222SC..Hα-helixtrans-58.1-44.2174.500000112.2V511 F513 N519V511-G515 PolarHBondContact O-N 2.77Å; F513-G515 PolarHBondContact O-N 3.18Å; G515-N519 PolarHBondContact O-ND2 2.79Å
516A98.3Very high96.8Very high27 Ų2737.5 Ų37.522%0.22321%0.211CC..Hα-helixtrans-69.5-43.3177.200000112.7L200 I443 P512 F513 I514 N519L200-A516 HydrophobicContact CD2-CB 3.77Å; I443-A516 HydrophobicContact CD1-CB 4.29Å; I443-A516 HydrophobicContact CG2-CB 3.94Å; P512-A516 PolarHBondContact O-N 3.17Å; P512-A516 VanDerWaalsContact O-N 3.07Å; F513-A516 PolarHBondContact O-N 3.31Å; I514-A516 VanDerWaalsContact C-N 3.31Å; I514-A516 PolarHBondContact O-N 2.78Å; A516-N519 WeakPolarHBondContact O-CB 3.47Å; A516-N519 PolarHBondContact O-N 3.11Å
517W98.3Very high96.8Very high0 Ų042.1 Ų42.10%023%0.231CC..Hα-helixtrans-64.8-40.1-179.4172.957.6000112.3L199 L200 L493 L494 A497 F513 I514 N519 T520 N522 F523L199-W517 HydrophobicContact CD2-CD2 4.29Å; L199-W517 HydrophobicContact CD2-CG 4.11Å; L200-W517 HydrophobicContact CD2-CB 3.92Å; L493-W517 HydrophobicContact CD1-CE3 4.2Å; L493-W517 HydrophobicContact CD1-CH2 4.1Å; L493-W517 HydrophobicContact CD1-CZ3 3.66Å; L493-W517 HydrophobicContact CD2-CE3 4.39Å; L493-W517 HydrophobicContact CD2-CH2 4.01Å; L493-W517 HydrophobicContact CD2-CZ2 4.16Å; L493-W517 HydrophobicContact CD2-CZ3 4.14Å; L493-W517 HydrophobicContact CG-CE3 4.45Å; L493-W517 HydrophobicContact CG-CH2 3.67Å; L493-W517 HydrophobicContact CG-CZ2 4.29Å; L493-W517 HydrophobicContact CG-CZ3 3.77Å; L494-W517 HydrophobicContact CD2-CH2 3.84Å; L494-W517 HydrophobicContact CD2-CZ2 3.69Å; A497-W517 HydrophobicContact CB-CH2 4.3Å; A497-W517 HydrophobicContact CB-CZ3 4.2Å; F513-W517 HydrophobicContact CZ-CB 4.36Å; F513-W517 WeakPolarHBondContact O-CB 3.48Å; F513-W517 PolarHBondContact O-N 2.71Å; I514-W517 HydrophobicContact CD1-CE3 3.97Å; I514-W517 HydrophobicContact CD1-CZ3 4.36Å; I514-W517 PolarHBondContact O-N 2.89Å; W517-N519 PolarHBondContact O-N 3.4Å; W517-T520 WeakPolarHBondContact O-CB 3.37Å; W517-T520 WeakPolarHBondContact O-CG2 3.14Å; W517-T520 PolarHBondContact O-N 3.1Å; W517-T520 PolarHBondContact O-OG1 3.35Å; W517-N522 PolarHBondContact NE1-OD1 3.16Å; W517-F523 HydrophobicContact CD2-CD2 4.13Å; W517-F523 AromaticContact CE2-CD2 3.76Å; W517-F523 HydrophobicContact CE3-CD2 4.15Å; W517-F523 HydrophobicContact CE3-CE2 4.44Å; W517-F523 AromaticContact CH2-CD2 3.53Å; W517-F523 HydrophobicContact CH2-CD2 3.53Å; W517-F523 AromaticContact CH2-CE2 3.74Å; W517-F523 HydrophobicContact CH2-CE2 3.74Å; W517-F523 AromaticContact CZ2-CD2 3.48Å; W517-F523 HydrophobicContact CZ2-CD2 3.48Å; W517-F523 VanDerWaalsContact CZ2-CD2 3.48Å; W517-F523 HydrophobicContact CZ2-CE2 4.18Å; W517-F523 HydrophobicContact CZ2-CG 4.43Å; W517-F523 AromaticContact CZ3-CD2 3.87Å; W517-F523 HydrophobicContact CZ3-CD2 3.87Å; W517-F523 AromaticContact CZ3-CE2 3.88Å; W517-F523 HydrophobicContact CZ3-CE2 3.88Å; W517-F523 WeakPolarHBondContact O-CB 3.34Å
518K97.5Very high96.8Very high62 Ų6243.7 Ų43.727%0.2724%0.24SC..THydrogen-bonded Turntrans-61.5-17.6176.4-74.6-175.9173.9-178.40113.7N502 I514 F523N502-K518 PolarHBondContact OD1-NZ 2.79Å; I514-K518 HydrophobicContact CG2-CD 4.17Å; I514-K518 HydrophobicContact CG2-CG 4.38Å; I514-K518 WeakPolarHBondContact O-CB 3.37Å; I514-K518 WeakPolarHBondContact O-CG 3.46Å; I514-K518 PolarHBondContact O-N 2.9Å; K518-F523 VanDerWaalsContact CA-CD1 3.46Å; K518-F523 HydrophobicContact CB-CD1 4.08Å; K518-F523 HydrophobicContact CB-CE1 3.94Å; K518-F523 HydrophobicContact CB-CZ 4.46Å; K518-F523 HydrophobicContact CD-CZ 4.44Å; K518-F523 HydrophobicContact CG-CD1 4.26Å; K518-F523 HydrophobicContact CG-CE1 3.81Å; K518-F523 HydrophobicContact CG-CE2 4.27Å; K518-F523 HydrophobicContact CG-CZ 3.82Å; K518-F523 WeakPolarHBondContact O-CD1 3.27Å
519N97.2Very high96.5Very high131 Ų13142.7 Ų42.770%0.70123%0.234SC*.THydrogen-bonded Turntrans-91.2-6.1177-66.7-36.9000113.7G515 A516 W517G515-N519 PolarHBondContact O-ND2 2.79Å; A516-N519 WeakPolarHBondContact O-CB 3.47Å; A516-N519 PolarHBondContact O-N 3.11Å; W517-N519 PolarHBondContact O-N 3.4Å
520T97.7Very high96.1Very high9 Ų952.1 Ų52.16%0.05528%0.275CS..SBendtrans-72.5160.8-177.967.30000111.9L200 E201 W517 N522 F523 R524L200-T520 HydrophobicContact CD2-CG2 4.48Å; E201-T520 WeakPolarHBondContact OE2-CB 3.36Å; W517-T520 WeakPolarHBondContact O-CB 3.37Å; W517-T520 WeakPolarHBondContact O-CG2 3.14Å; W517-T520 PolarHBondContact O-N 3.1Å; W517-T520 PolarHBondContact O-OG1 3.35Å; T520-N522 WeakPolarHBondContact CB-ND2 3.42Å; T520-N522 PolarHBondContact OG1-ND2 3.28Å; T520-F523 WeakPolarHBondContact OG1-CB 3.32Å; T520-F523 PolarHBondContact OG1-N 3.46Å; T520-R524 VanDerWaalsContact O-CG 3.28Å; T520-R524 WeakPolarHBondContact O-CG 3.33Å; T520-R524 PolarHBondContact O-N 3.07Å
521H96.7Very high95.8Very high39 Ų3952.5 Ų52.518%0.18128%0.275CS..Hα-helixtrans-64.3-48.8175178.267.8000111E201 T381 K382 F523 R524 V525E201-H521 WeakPolarHBondContact OE2-CB 3.21Å; E201-H521 PolarHBondContact OE2-N 3.26Å; T381-H521 PolarHBondContact OG1-CD2 3.46Å; T381-H521 VanDerWaalsContact OG1-CD2 3.27Å; T381-H521 PolarHBondContact OG1-NE2 2.78Å; T381-H521 VanDerWaalsContact OG1-NE2 3.1Å; K382-H521 WeakPolarHBondContact CG-NE2 3.38Å; H521-F523 VanDerWaalsContact C-N 3.33Å; H521-F523 PolarHBondContact O-N 3.02Å; H521-R524 PolarHBondContact O-N 3.47Å; H521-V525 WeakPolarHBondContact CE1-CG2 3.09Å; H521-V525 WeakPolarHBondContact O-CG2 3.2Å; H521-V525 PolarHBondContact O-N 2.95Å
522N96.7Very high95.5Very high0 Ų052.2 Ų52.20%028%0.275CS..Hα-helixtrans-56-44.6-178.769.786.9000112.9L199 E201 L377 I379 W517 T520 W526L199-N522 PolarHBondContact O-ND2 3.02Å; E201-N522 WeakPolarHBondContact CG-ND2 3.26Å; E201-N522 VanDerWaalsContact OE1-CB 3.31Å; E201-N522 WeakPolarHBondContact OE1-CB 3.34Å; E201-N522 PolarHBondContact OE1-N 3.11Å; E201-N522 PolarHBondContact OE1-ND2 2.73Å; L377-N522 HydrophobicContact CB-CB 4.47Å; I379-N522 HydrophobicContact CG1-CB 3.92Å; W517-N522 PolarHBondContact NE1-OD1 3.16Å; T520-N522 WeakPolarHBondContact CB-ND2 3.42Å; T520-N522 PolarHBondContact OG1-ND2 3.28Å; N522-W526 VanDerWaalsContact O-CB 3.27Å; N522-W526 WeakPolarHBondContact O-CB 3.29Å; N522-W526 PolarHBondContact O-N 3.19Å
523F97.6Very high95.1Very high16 Ų1649.6 Ų49.67%0.0726%0.259CS..Hα-helixtrans-64.9-47.5178.9175.6-96.1000111.1A497 W517 K518 T520 H521 V525 W526 F527A497-F523 HydrophobicContact CB-CE2 3.99Å; A497-F523 HydrophobicContact CB-CZ 4.48Å; W517-F523 HydrophobicContact CD2-CD2 4.13Å; W517-F523 AromaticContact CE2-CD2 3.76Å; W517-F523 HydrophobicContact CE3-CD2 4.15Å; W517-F523 HydrophobicContact CE3-CE2 4.44Å; W517-F523 AromaticContact CH2-CD2 3.53Å; W517-F523 HydrophobicContact CH2-CD2 3.53Å; W517-F523 AromaticContact CH2-CE2 3.74Å; W517-F523 HydrophobicContact CH2-CE2 3.74Å; W517-F523 AromaticContact CZ2-CD2 3.48Å; W517-F523 HydrophobicContact CZ2-CD2 3.48Å; W517-F523 VanDerWaalsContact CZ2-CD2 3.48Å; W517-F523 HydrophobicContact CZ2-CE2 4.18Å; W517-F523 HydrophobicContact CZ2-CG 4.43Å; W517-F523 AromaticContact CZ3-CD2 3.87Å; W517-F523 HydrophobicContact CZ3-CD2 3.87Å; W517-F523 AromaticContact CZ3-CE2 3.88Å; W517-F523 HydrophobicContact CZ3-CE2 3.88Å; W517-F523 WeakPolarHBondContact O-CB 3.34Å; K518-F523 VanDerWaalsContact CA-CD1 3.46Å; K518-F523 HydrophobicContact CB-CD1 4.08Å; K518-F523 HydrophobicContact CB-CE1 3.94Å; K518-F523 HydrophobicContact CB-CZ 4.46Å; K518-F523 HydrophobicContact CD-CZ 4.44Å; K518-F523 HydrophobicContact CG-CD1 4.26Å; K518-F523 HydrophobicContact CG-CE1 3.81Å; K518-F523 HydrophobicContact CG-CE2 4.27Å; K518-F523 HydrophobicContact CG-CZ 3.82Å; K518-F523 WeakPolarHBondContact O-CD1 3.27Å; T520-F523 WeakPolarHBondContact OG1-CB 3.32Å; T520-F523 PolarHBondContact OG1-N 3.46Å; H521-F523 VanDerWaalsContact C-N 3.33Å; H521-F523 PolarHBondContact O-N 3.02Å; F523-V525 VanDerWaalsContact C-N 3.33Å; F523-V525 PolarHBondContact O-N 2.8Å; F523-W526 PolarHBondContact O-N 3.42Å; F523-F527 HydrophobicContact CD1-CB 4.42Å; F523-F527 HydrophobicContact CE1-CB 4.05Å; F523-F527 HydrophobicContact CE1-CD2 4.29Å; F523-F527 HydrophobicContact CE1-CG 4.12Å; F523-F527 HydrophobicContact CE2-CB 4.37Å; F523-F527 HydrophobicContact CE2-CD2 4.09Å; F523-F527 HydrophobicContact CZ-CB 4.01Å; F523-F527 AromaticContact CZ-CD2 3.59Å; F523-F527 HydrophobicContact CZ-CD2 3.59Å; F523-F527 HydrophobicContact CZ-CE2 4.23Å; F523-F527 AromaticContact CZ-CG 3.88Å; F523-F527 HydrophobicContact CZ-CG 3.88Å; F523-F527 WeakPolarHBondContact O-CB 3.31Å; F523-F527 PolarHBondContact O-N 3.36Å
524R96.9Very high94.8Very high163 Ų16349.7 Ų49.762%0.61526%0.26SS*.Hα-helixtrans-62.7-40.1-177.5-72.7178.261.2-130.5-6.5112.5T520 H521 S528T520-R524 VanDerWaalsContact O-CG 3.28Å; T520-R524 WeakPolarHBondContact O-CG 3.33Å; T520-R524 PolarHBondContact O-N 3.07Å; H521-R524 PolarHBondContact O-N 3.47Å; R524-S528 WeakPolarHBondContact O-CB 3.01Å; R524-S528 PolarHBondContact O-N 3.32Å
525V95.4Very high94.3Very high11 Ų1155.6 Ų55.67%0.06730%0.296CS..Hα-helixtrans-66.7-51.4175.9173.20000110.1V365 P378 H521 F523 F527 S528V365-V525 HydrophobicContact CB-CG1 4.03Å; V365-V525 HydrophobicContact CG1-CB 4.49Å; V365-V525 HydrophobicContact CG1-CG1 3.79Å; V365-V525 HydrophobicContact CG1-CG2 4.32Å; P378-V525 HydrophobicContact CB-CG1 4.44Å; P378-V525 HydrophobicContact CG-CB 3.75Å; P378-V525 HydrophobicContact CG-CG1 3.6Å; H521-V525 WeakPolarHBondContact CE1-CG2 3.09Å; H521-V525 WeakPolarHBondContact O-CG2 3.2Å; H521-V525 PolarHBondContact O-N 2.95Å; F523-V525 VanDerWaalsContact C-N 3.33Å; F523-V525 PolarHBondContact O-N 2.8Å; V525-F527 PolarHBondContact O-N 3.44Å; V525-S528 PolarHBondContact O-N 2.76Å; V525-S528 PolarHBondContact O-OG 3.34Å
526W96.1Very high94Very high1 Ų157.7 Ų57.70%0.00431%0.31CS..Hα-helixtrans-58.9-48.9179.9177.585.6000111.6Y373 G374 L377 L494 L498 N522 F523 S528 N529 H531 M534Y373-W526 PolarHBondContact O-NE1 3.47Å; G374-W526 VanDerWaalsContact O-CD1 3.28Å; L377-W526 HydrophobicContact CD2-CB 3.77Å; L377-W526 HydrophobicContact CD2-CD2 4.36Å; L377-W526 HydrophobicContact CD2-CG 3.59Å; L494-W526 HydrophobicContact CB-CH2 3.57Å; L494-W526 HydrophobicContact CB-CZ2 3.65Å; L494-W526 HydrophobicContact CB-CZ3 4.26Å; L494-W526 HydrophobicContact CD1-CZ2 4.03Å; L494-W526 HydrophobicContact CD2-CD2 3.74Å; L494-W526 HydrophobicContact CD2-CE3 3.66Å; L494-W526 HydrophobicContact CD2-CH2 3.78Å; L494-W526 HydrophobicContact CD2-CZ2 3.85Å; L494-W526 HydrophobicContact CD2-CZ3 3.68Å; L494-W526 HydrophobicContact CG-CH2 4.16Å; L494-W526 HydrophobicContact CG-CZ2 4.04Å; L498-W526 HydrophobicContact CD1-CH2 3.97Å; L498-W526 HydrophobicContact CD2-CH2 3.99Å; L498-W526 HydrophobicContact CD2-CZ3 4.11Å; L498-W526 HydrophobicContact CG-CH2 3.87Å; L498-W526 HydrophobicContact CG-CZ3 4.37Å; N522-W526 VanDerWaalsContact O-CB 3.27Å; N522-W526 WeakPolarHBondContact O-CB 3.29Å; N522-W526 PolarHBondContact O-N 3.19Å; F523-W526 PolarHBondContact O-N 3.42Å; W526-S528 PolarHBondContact O-N 2.86Å; W526-S528 VanDerWaalsContact O-N 3.16Å; W526-N529 PolarHBondContact O-N 3.35Å; W526-H531 AromaticContact CD1-CE1 3.58Å; W526-H531 AromaticContact CD1-NE2 3.5Å; W526-H531 AromaticContact CD2-NE2 3.63Å; W526-H531 AromaticContact CE2-CD2 3.34Å; W526-H531 AromaticContact CE2-CE1 3.99Å; W526-H531 AromaticContact CE2-NE2 3.33Å; W526-H531 VanDerWaalsContact CE2-NE2 3.33Å; W526-H531 AromaticContact CG-NE2 3.73Å; W526-H531 AromaticContact CZ2-CD2 3.36Å; W526-H531 WeakPolarHBondContact CZ2-CD2 3.46Å; W526-H531 AromaticContact CZ2-NE2 3.87Å; W526-H531 AromaticContact NE1-CD2 3.55Å; W526-H531 AromaticContact NE1-CE1 3.45Å; W526-H531 PolarHBondContact NE1-CE1 3.45Å; W526-H531 AromaticContact NE1-CG 3.86Å; W526-H531 AromaticContact NE1-ND1 3.84Å; W526-H531 AromaticContact NE1-NE2 3.27Å; W526-H531 PolarHBondContact NE1-NE2 2.78Å; W526-H531 PolarHBondContact O-NE2 2.87Å; W526-M534 HydrophobicContact CZ2-CE 3.86Å
527F95.4Very high93.6Very high102 Ų10257.8 Ų57.845%0.44731%0.307SS..Hα-helixtrans-65.1-21.1-178-168.5-94.3000113.5L498 F523 V525 N529L498-F527 HydrophobicContact CD2-CD2 3.9Å; L498-F527 HydrophobicContact CD2-CE2 3.75Å; F523-F527 HydrophobicContact CD1-CB 4.42Å; F523-F527 HydrophobicContact CE1-CB 4.05Å; F523-F527 HydrophobicContact CE1-CD2 4.29Å; F523-F527 HydrophobicContact CE1-CG 4.12Å; F523-F527 HydrophobicContact CE2-CB 4.37Å; F523-F527 HydrophobicContact CE2-CD2 4.09Å; F523-F527 HydrophobicContact CZ-CB 4.01Å; F523-F527 AromaticContact CZ-CD2 3.59Å; F523-F527 HydrophobicContact CZ-CD2 3.59Å; F523-F527 HydrophobicContact CZ-CE2 4.23Å; F523-F527 AromaticContact CZ-CG 3.88Å; F523-F527 HydrophobicContact CZ-CG 3.88Å; F523-F527 WeakPolarHBondContact O-CB 3.31Å; F523-F527 PolarHBondContact O-N 3.36Å; V525-F527 PolarHBondContact O-N 3.44Å; F527-N529 VanDerWaalsContact C-N 3.27Å; F527-N529 PolarHBondContact O-N 3.27Å
528S93.1Very high93.3Very high75 Ų7561.5 Ų61.552%0.52433%0.329SS..Hα-helixtrans-75.1-15.8176.173.30000113.9R524 V525 W526R524-S528 WeakPolarHBondContact O-CB 3.01Å; R524-S528 PolarHBondContact O-N 3.32Å; V525-S528 PolarHBondContact O-N 2.76Å; V525-S528 PolarHBondContact O-OG 3.34Å; W526-S528 PolarHBondContact O-N 2.86Å; W526-S528 VanDerWaalsContact O-N 3.16Å
529N88.6Confident93.1Very high36 Ų3660.6 Ų60.619%0.19333%0.33CS..SBendtrans-99161.3179.2-69.7-26.8000111.8V365 W526 F527 H531V365-N529 WeakPolarHBondContact CG2-OD1 3.21Å; W526-N529 PolarHBondContact O-N 3.35Å; F527-N529 VanDerWaalsContact C-N 3.27Å; F527-N529 PolarHBondContact O-N 3.27Å; N529-H531 PolarHBondContact O-NE2 2.91Å
530K87.9Confident92.9Very high198 Ų19854.5 Ų54.586%0.86130%0.298SS*.  trans-94.6134.8171.9-68-174.1-179.8-178.60109.9P532K530-P532 WeakPolarHBondContact O-CD 3.47Å
531H90.9Very high92.7Very high18 Ų1854.1 Ų54.18%0.08330%0.295CS..  trans-121.489.6-176.8-54.7-59.7000110.3G374 W526 N529 G533 M534G374-H531 WeakPolarHBondContact CA-ND1 3.33Å; W526-H531 AromaticContact CD1-CE1 3.58Å; W526-H531 AromaticContact CD1-NE2 3.5Å; W526-H531 AromaticContact CD2-NE2 3.63Å; W526-H531 AromaticContact CE2-CD2 3.34Å; W526-H531 AromaticContact CE2-CE1 3.99Å; W526-H531 AromaticContact CE2-NE2 3.33Å; W526-H531 VanDerWaalsContact CE2-NE2 3.33Å; W526-H531 AromaticContact CG-NE2 3.73Å; W526-H531 AromaticContact CZ2-CD2 3.36Å; W526-H531 WeakPolarHBondContact CZ2-CD2 3.46Å; W526-H531 AromaticContact CZ2-NE2 3.87Å; W526-H531 AromaticContact NE1-CD2 3.55Å; W526-H531 AromaticContact NE1-CE1 3.45Å; W526-H531 PolarHBondContact NE1-CE1 3.45Å; W526-H531 AromaticContact NE1-CG 3.86Å; W526-H531 AromaticContact NE1-ND1 3.84Å; W526-H531 AromaticContact NE1-NE2 3.27Å; W526-H531 PolarHBondContact NE1-NE2 2.78Å; W526-H531 PolarHBondContact O-NE2 2.87Å; N529-H531 PolarHBondContact O-NE2 2.91Å; H531-G533 PolarHBondContact O-N 3.23Å; H531-M534 HydrophobicContact CB-CB 3.99Å; H531-M534 WeakPolarHBondContact O-CB 3.48Å; H531-M534 PolarHBondContact O-N 3.17Å
532P89.1Confident92.5Very high96 Ų9652.5 Ų52.562%0.62329%0.288SS*.G310 helixtrans-57.7-35-176.4-24.734.4000113.3K530 M534 T535K530-P532 WeakPolarHBondContact O-CD 3.47Å; P532-M534 PolarHBondContact O-N 3.31Å; P532-T535 PolarHBondContact O-OG1 2.78Å; P532-T535 VanDerWaalsContact O-OG1 3.1Å
533G89.5Confident92.3Very high6 Ų653.9 Ų53.96%0.06229%0.294CS..G310 helixtrans-64.3-24.2178.600000113.4Q372 Y373 H531 T535 A536Q372-G533 WeakPolarHBondContact O-CA 3.42Å; Q372-G533 PolarHBondContact O-N 3.42Å; Y373-G533 VanDerWaalsContact CE1-C 3.47Å; Y373-G533 WeakPolarHBondContact CE1-O 3.37Å; H531-G533 PolarHBondContact O-N 3.23Å; G533-T535 VanDerWaalsContact C-N 3.26Å; G533-T535 PolarHBondContact O-N 3.22Å; G533-A536 PolarHBondContact O-N 3.21Å
534M92.3Very high91.7Very high5 Ų555 Ų553%0.02530%0.3CS..G310 helixtrans-70.5-20-173.2-155.258.555.900113.3Y373 L494 L498 W526 H531 P532 A536 I537Y373-M534 HydrophobicContact CD1-CE 4.06Å; Y373-M534 HydrophobicContact CG-CE 4.41Å; Y373-M534 WeakPolarHBondContact O-CE 3.41Å; L494-M534 HydrophobicContact CB-CE 4.1Å; L494-M534 HydrophobicContact CB-SD 4.1Å; L494-M534 HydrophobicContact CD1-CE 4.39Å; L498-M534 HydrophobicContact CD1-CB 3.94Å; L498-M534 HydrophobicContact CD1-CG 3.52Å; W526-M534 HydrophobicContact CZ2-CE 3.86Å; H531-M534 HydrophobicContact CB-CB 3.99Å; H531-M534 WeakPolarHBondContact O-CB 3.48Å; H531-M534 PolarHBondContact O-N 3.17Å; P532-M534 PolarHBondContact O-N 3.31Å; M534-A536 PolarHBondContact O-N 2.91Å; M534-I537 PolarHBondContact O-N 2.92Å; M534-I537 HydrophobicContact SD-CB 4.08Å; M534-I537 HydrophobicContact SD-CG1 3.98Å; M534-I537 HydrophobicContact SD-CG2 4.35Å
535T88.9Confident90.8Very high134 Ų13449.7 Ų49.782%0.82230%0.296SS*.G310 helixtrans-67.3-22.5178.258.30000113.3P532 G533P532-T535 PolarHBondContact O-OG1 2.78Å; P532-T535 VanDerWaalsContact O-OG1 3.1Å; G533-T535 VanDerWaalsContact C-N 3.26Å; G533-T535 PolarHBondContact O-N 3.22Å
536A89.3Confident89.8Confident83 Ų8358.1 Ų58.169%0.68633%0.334SS*.G310 helixtrans-88.7-6.8178.400000113.1G533 M534G533-A536 PolarHBondContact O-N 3.21Å; M534-A536 PolarHBondContact O-N 2.91Å
537I91.6Very high88.6Confident29 Ų2964.2 Ų64.215%0.14936%0.358CS..SBendtrans-91.8126.8-175.8-60.2-58.3000110.3Y373 H491 S495 M534 P539Y373-I537 HydrophobicContact CD1-CD1 4.43Å; Y373-I537 HydrophobicContact CD1-CG1 4.14Å; Y373-I537 HydrophobicContact CE1-CD1 3.8Å; Y373-I537 HydrophobicContact CE1-CG1 3.86Å; H491-I537 HydrophobicContact CB-CD1 4.31Å; H491-I537 HydrophobicContact CB-CG1 4.37Å; H491-I537 HydrophobicContact CB-CG2 3.84Å; S495-I537 PolarHBondContact OG-O 2.93Å; M534-I537 PolarHBondContact O-N 2.92Å; M534-I537 HydrophobicContact SD-CB 4.08Å; M534-I537 HydrophobicContact SD-CG1 3.98Å; M534-I537 HydrophobicContact SD-CG2 4.35Å; I537-P539 WeakPolarHBondContact O-CD 3.43Å
538T91Very high87.5Confident78 Ų7861.9 Ų61.948%0.47935%0.354SS..PPolyproline II helixtrans-64.8121174.6-52.10000111.1S492S492-T538 PolarHBondContact OG-O 3.12Å; S492-T538 VanDerWaalsContact OG-O 3.13Å
539P93.3Very high86.2Confident43 Ų4364.2 Ų64.228%0.27937%0.365SS..PPolyproline II helixtrans-76.9162.2173.733.4-35.4000111.6Q499 L505 I537Q499-P539 HydrophobicContact CG-CB 4Å; Q499-P539 HydrophobicContact CG-CG 4.24Å; L505-P539 HydrophobicContact CD1-CB 4.22Å; I537-P539 WeakPolarHBondContact O-CD 3.43Å
540G92.2Very high85.2Confident3 Ų365.7 Ų65.73%0.03138%0.383CS..SBendtrans98154.2-174.700000112.6S492 S496 Y509S492-G540 WeakPolarHBondContact CB-O 3.45Å; S496-G540 PolarHBondContact OG-N 3Å; Y509-G540 PolarHBondContact OH-O 2.81Å
541H94.7Very high84.7Confident0 Ų056.5 Ų56.50%034%0.343CS..  trans-64129.7179.1-171.7-67.5000110.1A449 D450 Y489 D508 Y509 F543 Q544A449-H541 HydrophobicContact CB-CB 4.34Å; A449-H541 WeakPolarHBondContact CB-ND1 3.5Å; A449-H541 PolarHBondContact O-CE1 2.81Å; D450-H541 PolarHBondContact N-NE2 2.8Å; D450-H541 IonicContact OD1-NE2 2.82Å; D450-H541 PolarHBondContact OD1-NE2 3.35Å; Y489-H541 AromaticContact CE2-CD2 3.96Å; Y489-H541 AromaticContact CE2-NE2 3.28Å; Y489-H541 VanDerWaalsContact CE2-NE2 3.28Å; Y489-H541 WeakPolarHBondContact CE2-NE2 3.48Å; D508-H541 HydrophobicContact CB-CB 3.66Å; Y509-H541 AromaticContact CD1-CD2 3.61Å; Y509-H541 HydrophobicContact CD2-CB 4.1Å; Y509-H541 HydrophobicContact CE1-CB 4.45Å; Y509-H541 AromaticContact CE1-CD2 3.57Å; Y509-H541 HydrophobicContact CE2-CB 3.66Å; Y509-H541 AromaticContact CG-CD2 3.95Å; Y509-H541 AromaticContact CZ-CD2 3.88Å; Y509-H541 WeakPolarHBondContact OH-CA 3.16Å; H541-F543 PolarHBondContact ND1-N 2.81Å; H541-F543 PolarHBondContact O-N 2.83Å; H541-Q544 HydrophobicContact CB-CB 4.28Å; H541-Q544 VanDerWaalsContact O-CB 3.29Å; H541-Q544 WeakPolarHBondContact O-CB 3.3Å; H541-Q544 WeakPolarHBondContact O-CG 3.37Å; H541-Q544 PolarHBondContact O-N 2.79Å
542P92.7Very high83.8Confident5 Ų559.2 Ų59.23%0.03236%0.361CS..THydrogen-bonded Turntrans-56.6-32.1-174.4-26.333000113.8G344 L488G344-P542 VanDerWaalsContact O-O 3.11Å; L488-P542 HydrophobicContact CD2-CB 4.38Å; L488-P542 HydrophobicContact CD2-CG 4.46Å; L488-P542 HydrophobicContact CG-CG 4.12Å
543F91.8Very high83Confident29 Ų2962 Ų6213%0.12736%0.363CS..THydrogen-bonded Turntrans-101.223.8177.2-67.3-101.6000114.9P346 R452 F453 Y456 H541P346-F543 HydrophobicContact CB-CZ 4.06Å; P346-F543 HydrophobicContact CG-CE1 4.03Å; P346-F543 HydrophobicContact CG-CE2 4.06Å; P346-F543 HydrophobicContact CG-CZ 3.5Å; R452-F543 HydrophobicContact CB-CB 3.89Å; R452-F543 HydrophobicContact CB-CD1 4.03Å; R452-F543 HydrophobicContact CB-CG 4.29Å; R452-F543 PolarHBondContact NH1-O 3.19Å; F453-F543 HydrophobicContact CB-CB 4.5Å; F453-F543 HydrophobicContact CB-CD2 3.69Å; F453-F543 HydrophobicContact CB-CE2 4.15Å; F453-F543 HydrophobicContact CB-CG 4.08Å; F453-F543 AromaticContact CD2-CD2 3.77Å; F453-F543 HydrophobicContact CD2-CD2 3.77Å; F453-F543 AromaticContact CD2-CE2 3.55Å; F453-F543 HydrophobicContact CD2-CE2 3.55Å; F453-F543 HydrophobicContact CD2-CZ 4.45Å; F453-F543 HydrophobicContact CE2-CE2 4.47Å; F453-F543 HydrophobicContact CG-CD2 4.24Å; F453-F543 HydrophobicContact CG-CE2 4.34Å; Y456-F543 HydrophobicContact CD1-CE1 4.06Å; Y456-F543 HydrophobicContact CD1-CE2 4.45Å; Y456-F543 AromaticContact CD1-CZ 3.47Å; Y456-F543 HydrophobicContact CD1-CZ 3.47Å; Y456-F543 VanDerWaalsContact CD1-CZ 3.47Å; Y456-F543 AromaticContact CD2-CE1 3.94Å; Y456-F543 HydrophobicContact CD2-CE1 3.94Å; Y456-F543 HydrophobicContact CD2-CZ 4.12Å; Y456-F543 HydrophobicContact CE1-CZ 4.01Å; Y456-F543 AromaticContact CG-CE1 3.61Å; Y456-F543 HydrophobicContact CG-CE1 3.61Å; Y456-F543 AromaticContact CG-CZ 3.53Å; Y456-F543 HydrophobicContact CG-CZ 3.53Å; H541-F543 PolarHBondContact ND1-N 2.81Å; H541-F543 PolarHBondContact O-N 2.83Å
544Q85.9Confident82.3Confident41 Ų4163.1 Ų63.119%0.19237%0.367CS..  trans-62.5150.3172.469.6-171.717.300111.7P343 D508 H541P343-Q544 HydrophobicContact CB-CG 4.34Å; D508-Q544 VanDerWaalsContact OD2-CB 3.26Å; D508-Q544 WeakPolarHBondContact OD2-CB 3.17Å; H541-Q544 HydrophobicContact CB-CB 4.28Å; H541-Q544 VanDerWaalsContact O-CB 3.29Å; H541-Q544 WeakPolarHBondContact O-CB 3.3Å; H541-Q544 WeakPolarHBondContact O-CG 3.37Å; H541-Q544 PolarHBondContact O-N 2.79Å
545G78Confident81.5Confident51 Ų5168.3 Ų68.353%0.52639%0.387SS..  trans156.3169.1177.200000114.5R452R452-G545 PolarHBondContact NH1-O 3.07Å; R452-G545 PolarHBondContact NH2-O 2.79Å
546Q72.7Confident80.5Confident188 Ų18867.6 Ų67.688%0.87938%0.377SS*.  trans-60.2150.2-175.3-66.3-177.8-8.200113.2R452R452-Q546 PolarHBondContact NH2-O 3.04Å
547Y71.1Confident79.5Confident129 Ų12966.2 Ų66.251%0.50636%0.362SS..  trans-72137.7-178.3-162.4-102.7000111.7T448 D551 V552T448-Y547 HydrophobicContact CG2-CD2 4.39Å; T448-Y547 HydrophobicContact CG2-CE2 4.4Å; Y547-D551 HydrophobicContact CD2-CB 3.99Å; Y547-D551 HydrophobicContact CE2-CB 3.66Å; Y547-V552 HydrophobicContact CE1-CG2 3.5Å; Y547-V552 VanDerWaalsContact CE1-CG2 3.5Å; Y547-V552 WeakPolarHBondContact OH-CG2 3.28Å
548S72.9Confident78.7Confident52 Ų5266.4 Ų66.436%0.36436%0.363SS..  trans-133.7165.4-176.674.20000112.3A550 D551 V552S548-A550 PolarHBondContact O-N 2.94Å; S548-A550 PolarHBondContact OG-N 2.76Å; S548-D551 WeakPolarHBondContact CA-OD2 3.41Å; S548-D551 WeakPolarHBondContact CB-OD2 3.49Å; S548-D551 PolarHBondContact N-OD2 3.49Å; S548-D551 VanDerWaalsContact O-CB 3.31Å; S548-D551 WeakPolarHBondContact O-CB 3.39Å; S548-D551 PolarHBondContact O-N 2.83Å; S548-D551 PolarHBondContact OG-N 3.44Å; S548-D551 PolarHBondContact OG-OD2 3.09Å; S548-V552 PolarHBondContact O-N 3.34Å
549V67.1Low77.7Confident125 Ų12566.3 Ų66.376%0.75837%0.365SS*.Hα-helixtrans-61-29.6175.1179.90000111.9D551 V552 K553V549-D551 PolarHBondContact O-N 2.96Å; V549-V552 PolarHBondContact O-N 2.7Å; V549-K553 PolarHBondContact O-N 3.21Å
550A66.9Low76.6Confident67 Ų6767.1 Ų67.155%0.55437%0.369SS*.Hα-helixtrans-61.9-35.5173.600000111.5S548 K553 L554S548-A550 PolarHBondContact O-N 2.94Å; S548-A550 PolarHBondContact OG-N 2.76Å; A550-K553 PolarHBondContact O-N 3.35Å; A550-L554 WeakPolarHBondContact O-CB 3.49Å; A550-L554 PolarHBondContact O-N 3.42Å
551D77.9Confident75.1Confident5 Ų570.8 Ų70.83%0.02739%0.385CS..Hα-helixtrans-70.8-33.6178.7-57.9-57.2000112.7T448 R452 Y547 S548 V549 L554 R555T448-D551 HydrophobicContact CG2-CB 3.76Å; T448-D551 WeakPolarHBondContact CG2-OD1 3.14Å; R452-D551 IonicContact CZ-OD1 3.97Å; R452-D551 IonicContact CZ-OD2 3.26Å; R452-D551 IonicContact NE-OD1 3.35Å; R452-D551 PolarHBondContact NE-OD1 3.5Å; R452-D551 IonicContact NE-OD2 2.9Å; R452-D551 VanDerWaalsContact NH2-CG 3.26Å; R452-D551 IonicContact NH2-OD1 2.72Å; R452-D551 PolarHBondContact NH2-OD1 3.47Å; R452-D551 IonicContact NH2-OD2 2.62Å; R452-D551 PolarHBondContact NH2-OD2 2.89Å; Y547-D551 HydrophobicContact CD2-CB 3.99Å; Y547-D551 HydrophobicContact CE2-CB 3.66Å; S548-D551 WeakPolarHBondContact CA-OD2 3.41Å; S548-D551 WeakPolarHBondContact CB-OD2 3.49Å; S548-D551 PolarHBondContact N-OD2 3.49Å; S548-D551 VanDerWaalsContact O-CB 3.31Å; S548-D551 WeakPolarHBondContact O-CB 3.39Å; S548-D551 PolarHBondContact O-N 2.83Å; S548-D551 PolarHBondContact OG-N 3.44Å; S548-D551 PolarHBondContact OG-OD2 3.09Å; V549-D551 PolarHBondContact O-N 2.96Å; D551-L554 PolarHBondContact O-N 2.85Å; D551-R555 WeakPolarHBondContact O-CB 3.34Å; D551-R555 WeakPolarHBondContact O-CG 3.15Å; D551-R555 PolarHBondContact O-N 3.24Å
552V71.8Confident73.4Confident75 Ų7573.9 Ų73.946%0.45540%0.402SS..Hα-helixtrans-62.4-48172.9-178.80000109.8Y547 S548 V549 L554 R555 L556Y547-V552 HydrophobicContact CE1-CG2 3.5Å; Y547-V552 VanDerWaalsContact CE1-CG2 3.5Å; Y547-V552 WeakPolarHBondContact OH-CG2 3.28Å; S548-V552 PolarHBondContact O-N 3.34Å; V549-V552 PolarHBondContact O-N 2.7Å; V552-L554 VanDerWaalsContact C-N 3.33Å; V552-L554 PolarHBondContact O-N 2.55Å; V552-R555 PolarHBondContact O-N 3Å; V552-L556 WeakPolarHBondContact O-CB 3.09Å; V552-L556 PolarHBondContact O-N 3.41Å
553K72.6Confident71.7Confident154 Ų15476.2 Ų76.267%0.6742%0.418SS*.Hα-helixtrans-61.5-42177.6-177-175.5174.9-170.50111.6V549 A550 L556 S557V549-K553 PolarHBondContact O-N 3.21Å; A550-K553 PolarHBondContact O-N 3.35Å; K553-L556 PolarHBondContact O-N 3.39Å; K553-S557 WeakPolarHBondContact O-CB 3.34Å; K553-S557 PolarHBondContact O-N 2.83Å; K553-S557 PolarHBondContact O-OG 3.2Å
554L73.4Confident69.9Low29 Ų2981.4 Ų81.415%0.15244%0.443CS..Hα-helixtrans-63.3-48.7179.2-177.459.6000111.4L451 R452 D455 A550 D551 V552 L556 S557 H558L451-L554 HydrophobicContact CB-CD2 3.71Å; L451-L554 HydrophobicContact CB-CG 4.08Å; R452-L554 HydrophobicContact CG-CD2 4.38Å; D455-L554 HydrophobicContact CB-CD1 3.77Å; D455-L554 HydrophobicContact CB-CD2 4.2Å; A550-L554 WeakPolarHBondContact O-CB 3.49Å; A550-L554 PolarHBondContact O-N 3.42Å; D551-L554 PolarHBondContact O-N 2.85Å; V552-L554 VanDerWaalsContact C-N 3.33Å; V552-L554 PolarHBondContact O-N 2.55Å; L554-L556 PolarHBondContact O-N 2.66Å; L554-S557 PolarHBondContact O-N 2.96Å; L554-H558 WeakPolarHBondContact O-CB 3.27Å; L554-H558 PolarHBondContact O-N 2.92Å
555R75.8Confident68.2Low115 Ų11589.1 Ų89.143%0.43447%0.47SS..Hα-helixtrans-61.8-40.5176.2-77.3-174.6174.5-166.2-5.5112.7T448 L451 D551 V552 H558 S559T448-R555 VanDerWaalsContact OG1-CZ 3.29Å; T448-R555 PolarHBondContact OG1-NE 3.19Å; T448-R555 PolarHBondContact OG1-NH2 3.22Å; L451-R555 HydrophobicContact CD1-CG 3.79Å; D551-R555 WeakPolarHBondContact O-CB 3.34Å; D551-R555 WeakPolarHBondContact O-CG 3.15Å; D551-R555 PolarHBondContact O-N 3.24Å; V552-R555 PolarHBondContact O-N 3Å; R555-H558 PolarHBondContact O-N 3.35Å; R555-S559 WeakPolarHBondContact O-CB 3.33Å; R555-S559 PolarHBondContact O-N 2.89Å
556L68.7Low66.9Low119 Ų11987 Ų8762%0.62345%0.449SS*.Hα-helixtrans-63-47.1177.1-166.999.2000111V552 K553 L554 H558 S559 V560V552-L556 WeakPolarHBondContact O-CB 3.09Å; V552-L556 PolarHBondContact O-N 3.41Å; K553-L556 PolarHBondContact O-N 3.39Å; L554-L556 PolarHBondContact O-N 2.66Å; L556-H558 VanDerWaalsContact C-N 3.34Å; L556-H558 PolarHBondContact O-N 3.02Å; L556-S559 PolarHBondContact O-N 3Å; L556-V560 WeakPolarHBondContact O-CG2 3.31Å; L556-V560 PolarHBondContact O-N 2.8Å
557S68Low66Low53 Ų5382.4 Ų82.437%0.37143%0.426SS..Hα-helixtrans-60.5-44.8178.6-55.40000111.2K553 L554 S559 V560 Q561K553-S557 WeakPolarHBondContact O-CB 3.34Å; K553-S557 PolarHBondContact O-N 2.83Å; K553-S557 PolarHBondContact O-OG 3.2Å; L554-S557 PolarHBondContact O-N 2.96Å; S557-S559 PolarHBondContact O-N 2.76Å; S557-V560 PolarHBondContact O-N 2.83Å; S557-Q561 WeakPolarHBondContact O-CB 3.49Å; S557-Q561 WeakPolarHBondContact O-CG 3.4Å; S557-Q561 PolarHBondContact O-N 2.79Å
558H74.9Confident65.2Low34 Ų3483.7 Ų83.716%0.15743%0.434CS..Hα-helixtrans-58.4-45.9174.6177.6-101.9000112.7H189 L451 L554 R555 L556 V560 Q561 N562H189-H558 AromaticContact CD2-CD2 3.08Å; H189-H558 PolarHBondContact CD2-CD2 3.43Å; H189-H558 AromaticContact CD2-NE2 3.15Å; H189-H558 PolarHBondContact CD2-NE2 3.3Å; H189-H558 AromaticContact CE1-CD2 3.61Å; H189-H558 AromaticContact CG-CD2 3.59Å; H189-H558 AromaticContact ND1-CD2 3.92Å; H189-H558 AromaticContact NE2-CD2 3.1Å; H189-H558 PolarHBondContact NE2-CD2 3.27Å; H189-H558 AromaticContact NE2-NE2 3.32Å; H189-H558 PolarHBondContact NE2-NE2 3.08Å; L451-H558 HydrophobicContact CD2-CB 4.17Å; L451-H558 VanDerWaalsContact CD2-CD2 3.46Å; L451-H558 WeakPolarHBondContact CD2-CD2 3.39Å; L554-H558 WeakPolarHBondContact O-CB 3.27Å; L554-H558 PolarHBondContact O-N 2.92Å; R555-H558 PolarHBondContact O-N 3.35Å; L556-H558 VanDerWaalsContact C-N 3.34Å; L556-H558 PolarHBondContact O-N 3.02Å; H558-V560 PolarHBondContact O-N 3.1Å; H558-Q561 PolarHBondContact O-N 2.95Å; H558-N562 PolarHBondContact CE1-ND2 3.02Å; H558-N562 PolarHBondContact NE2-ND2 3.47Å; H558-N562 WeakPolarHBondContact O-CB 3.46Å; H558-N562 PolarHBondContact O-N 2.99Å; H558-N562 VanDerWaalsContact O-N 3.1Å
559S70.1Confident64.3Low76 Ų7686.5 Ų86.553%0.53144%0.444SS..Hα-helixtrans-63.1-42179-172.50000112.2R555 L556 S557 N562 S563R555-S559 WeakPolarHBondContact O-CB 3.33Å; R555-S559 PolarHBondContact O-N 2.89Å; L556-S559 PolarHBondContact O-N 3Å; S557-S559 PolarHBondContact O-N 2.76Å; S559-N562 PolarHBondContact O-N 3.47Å; S559-S563 WeakPolarHBondContact O-CB 3.42Å; S559-S563 PolarHBondContact O-N 3.15Å; S559-S563 VanDerWaalsContact O-N 3.15Å
560V68.9Low63Low60 Ų6081.6 Ų81.636%0.36442%0.419SS..Hα-helixtrans-67.7-40.1178.4173.90000111.7L556 S557 H558 G566 K567L556-V560 WeakPolarHBondContact O-CG2 3.31Å; L556-V560 PolarHBondContact O-N 2.8Å; S557-V560 PolarHBondContact O-N 2.83Å; H558-V560 PolarHBondContact O-N 3.1Å; V560-G566 WeakPolarHBondContact CG1-O 3.23Å; V560-G566 CarbonylContact O-C 3.49Å; V560-G566 VanDerWaalsContact O-C 3.29Å; V560-G566 WeakPolarHBondContact O-CA 3.41Å; V560-K567 PolarHBondContact O-N 2.87Å
561Q61Low62.1Low79 Ų7983.5 Ų83.537%0.36942%0.419SS..Hα-helixtrans-69.4-30.4178.6-74.3177-18.900113.6H189 S557 H558 K567H189-Q561 PolarHBondContact CE1-OE1 2.98Å; S557-Q561 WeakPolarHBondContact O-CB 3.49Å; S557-Q561 WeakPolarHBondContact O-CG 3.4Å; S557-Q561 PolarHBondContact O-N 2.79Å; H558-Q561 PolarHBondContact O-N 2.95Å; Q561-K567 VanDerWaalsContact O-CE 3.25Å; Q561-K567 WeakPolarHBondContact O-CE 3.25Å
562N58.6Low60.6Low66 Ų6685.5 Ų85.535%0.35344%0.436SS..Hα-helixtrans-89.9-19.5-178.2-74.3-15.1000114.2H189 K190 H558 S559H189-N562 PolarHBondContact NE2-ND2 3.4Å; H189-N562 PolarHBondContact NE2-OD1 2.96Å; H189-N562 VanDerWaalsContact NE2-OD1 3.13Å; K190-N562 WeakPolarHBondContact CE-OD1 3.47Å; H558-N562 PolarHBondContact CE1-ND2 3.02Å; H558-N562 PolarHBondContact NE2-ND2 3.47Å; H558-N562 WeakPolarHBondContact O-CB 3.46Å; H558-N562 PolarHBondContact O-N 2.99Å; H558-N562 VanDerWaalsContact O-N 3.1Å; S559-N562 PolarHBondContact O-N 3.47Å
563S58.4Low59.2Low54 Ų5488.2 Ų88.238%0.37845%0.446SS..  trans-89.2135.4-179.3176.50000113S559 R565 G566 K567S559-S563 WeakPolarHBondContact O-CB 3.42Å; S559-S563 PolarHBondContact O-N 3.15Å; S559-S563 VanDerWaalsContact O-N 3.15Å; S563-R565 VanDerWaalsContact C-N 3.27Å; S563-R565 PolarHBondContact O-N 3.21Å; S563-R565 PolarHBondContact OG-N 3.05Å; S563-G566 WeakPolarHBondContact O-CA 3.41Å; S563-G566 PolarHBondContact O-N 2.9Å; S563-G566 VanDerWaalsContact O-N 3.09Å; S563-G566 PolarHBondContact OG-N 3.26Å; S563-K567 PolarHBondContact O-N 2.59Å
564E53.2Low58.1Low138 Ų13885.7 Ų85.765%0.64544%0.439SS*.Hα-helixtrans-63.5-31173.5-66.2-168.2160.400112.6R432 K568R432-E564 IonicContact NH1-OE1 3.32Å; R432-E564 PolarHBondContact NH1-OE1 3.16Å; E564-K568 PolarHBondContact O-N 3.02Å
565R49.8Very low57Low203 Ų20388.2 Ų88.277%0.76646%0.455SS*.Hα-helixtrans-74.9-37.3169.8-77.7-176.4175.3179.6-0.5111.5S563 K567 K568 I569S563-R565 VanDerWaalsContact C-N 3.27Å; S563-R565 PolarHBondContact O-N 3.21Å; S563-R565 PolarHBondContact OG-N 3.05Å; R565-K567 PolarHBondContact O-N 3.14Å; R565-K568 WeakPolarHBondContact O-CB 3.16Å; R565-K568 PolarHBondContact O-N 3.5Å; R565-I569 WeakPolarHBondContact O-CG1 3.16Å; R565-I569 PolarHBondContact O-N 2.9Å
566G50.9Low55.6Low7 Ų786.7 Ų86.77%0.07246%0.459CS..Hα-helixtrans-60.4-41.1175.200000113V560 S563 I569 G570V560-G566 WeakPolarHBondContact CG1-O 3.23Å; V560-G566 CarbonylContact O-C 3.49Å; V560-G566 VanDerWaalsContact O-C 3.29Å; V560-G566 WeakPolarHBondContact O-CA 3.41Å; S563-G566 WeakPolarHBondContact O-CA 3.41Å; S563-G566 PolarHBondContact O-N 2.9Å; S563-G566 VanDerWaalsContact O-N 3.09Å; S563-G566 PolarHBondContact OG-N 3.26Å; G566-I569 PolarHBondContact O-N 3.24Å; G566-G570 PolarHBondContact O-N 3.07Å
567K54.3Low54.3Low90 Ų9084 Ų8439%0.39145%0.45SS..Hα-helixtrans-62.9-39.6172.3-70-179.6177.2-172.10113V560 Q561 S563 R565 N571V560-K567 PolarHBondContact O-N 2.87Å; Q561-K567 VanDerWaalsContact O-CE 3.25Å; Q561-K567 WeakPolarHBondContact O-CE 3.25Å; S563-K567 PolarHBondContact O-N 2.59Å; R565-K567 PolarHBondContact O-N 3.14Å; K567-N571 WeakPolarHBondContact O-CB 3.35Å; K567-N571 VanDerWaalsContact O-CG 3.28Å; K567-N571 PolarHBondContact O-N 3.47Å
568K55Low53.4Low156 Ų15689.6 Ų89.668%0.67846%0.463SS*.Hα-helixtrans-65.3-40.1174-72.3177.7-179.7177.90111.7E564 R565 A572E564-K568 PolarHBondContact O-N 3.02Å; R565-K568 WeakPolarHBondContact O-CB 3.16Å; R565-K568 PolarHBondContact O-N 3.5Å; K568-A572 VanDerWaalsContact O-CB 3.29Å; K568-A572 WeakPolarHBondContact O-CB 3.19Å; K568-A572 PolarHBondContact O-N 3.38Å
569I52.1Low52.1Low112 Ų11291 Ų9157%0.57448%0.477SS*.Hα-helixtrans-70.7-41.5177.3-66165.4000111.4R565 G566 A572 M573R565-I569 WeakPolarHBondContact O-CG1 3.16Å; R565-I569 PolarHBondContact O-N 2.9Å; G566-I569 PolarHBondContact O-N 3.24Å; I569-A572 WeakPolarHBondContact O-CB 3.5Å; I569-A572 PolarHBondContact O-N 3.39Å; I569-M573 WeakPolarHBondContact O-CB 3.4Å; I569-M573 PolarHBondContact O-N 3.07Å
570G39.9Very low51.2Low22 Ų2291.9 Ų91.923%0.22748%0.478CS..Hα-helixtrans-63-43.1175.700000112.2G566 M573 I574G566-G570 PolarHBondContact O-N 3.07Å; G570-M573 PolarHBondContact O-N 3.28Å; G570-I574 VanDerWaalsContact O-CG1 3.3Å; G570-I574 WeakPolarHBondContact O-CG1 3.45Å; G570-I574 PolarHBondContact O-N 3.46Å
571N48.8Very low50.4Low107 Ų10793.6 Ų93.657%0.57249%0.489SS*.Hα-helixtrans-64.6-41.4173-73.5-11.9000111.8K567 I574 T575K567-N571 WeakPolarHBondContact O-CB 3.35Å; K567-N571 VanDerWaalsContact O-CG 3.28Å; K567-N571 PolarHBondContact O-N 3.47Å; N571-I574 PolarHBondContact O-N 3.4Å; N571-T575 WeakPolarHBondContact O-CG2 3.33Å; N571-T575 PolarHBondContact O-N 2.81Å; N571-T575 PolarHBondContact O-OG1 2.83Å; N571-T575 VanDerWaalsContact O-OG1 3.13Å
572A47Very low49.9Very low46 Ų4695.8 Ų95.838%0.3850%0.499SS..Hα-helixtrans-60.8-44.2174.100000111.5K568 I569 I574 T575 T576K568-A572 VanDerWaalsContact O-CB 3.29Å; K568-A572 WeakPolarHBondContact O-CB 3.19Å; K568-A572 PolarHBondContact O-N 3.38Å; I569-A572 WeakPolarHBondContact O-CB 3.5Å; I569-A572 PolarHBondContact O-N 3.39Å; A572-I574 PolarHBondContact O-N 3.18Å; A572-T575 VanDerWaalsContact CA-OG1 3.29Å; A572-T575 WeakPolarHBondContact CA-OG1 3.33Å; A572-T575 PolarHBondContact O-N 3.38Å; A572-T575 PolarHBondContact O-OG1 2.74Å; A572-T576 WeakPolarHBondContact O-CB 3.34Å; A572-T576 PolarHBondContact O-N 2.73Å; A572-T576 PolarHBondContact O-OG1 3.35Å
573M42.1Very low49.5Very low132 Ų13296.9 Ų96.965%0.6551%0.508SS*.Hα-helixtrans-63.5-41.6178-170.2177.4-177.600111.8I569 G570 T576 S577I569-M573 WeakPolarHBondContact O-CB 3.4Å; I569-M573 PolarHBondContact O-N 3.07Å; G570-M573 PolarHBondContact O-N 3.28Å; M573-T576 PolarHBondContact O-N 3.38Å; M573-S577 WeakPolarHBondContact O-CB 2.73Å; M573-S577 PolarHBondContact O-N 2.74Å; M573-S577 PolarHBondContact O-OG 3.13Å
574I48.3Very low48.6Very low102 Ų10296.4 Ų96.452%0.52351%0.512SS..Hα-helixtrans-65.4-39.6174.6-68.3166000111.1G570 N571 A572 S577 R578G570-I574 VanDerWaalsContact O-CG1 3.3Å; G570-I574 WeakPolarHBondContact O-CG1 3.45Å; G570-I574 PolarHBondContact O-N 3.46Å; N571-I574 PolarHBondContact O-N 3.4Å; A572-I574 PolarHBondContact O-N 3.18Å; I574-S577 PolarHBondContact O-N 3.09Å; I574-R578 WeakPolarHBondContact O-CB 3.47Å; I574-R578 PolarHBondContact O-N 2.88Å
575T50.3Low48.5Very low82 Ų8297.7 Ų97.750%0.50352%0.516SS..Hα-helixtrans-67.1-40.7174.351.70000112N571 A572 R578 S579N571-T575 WeakPolarHBondContact O-CG2 3.33Å; N571-T575 PolarHBondContact O-N 2.81Å; N571-T575 PolarHBondContact O-OG1 2.83Å; N571-T575 VanDerWaalsContact O-OG1 3.13Å; A572-T575 VanDerWaalsContact CA-OG1 3.29Å; A572-T575 WeakPolarHBondContact CA-OG1 3.33Å; A572-T575 PolarHBondContact O-N 3.38Å; A572-T575 PolarHBondContact O-OG1 2.74Å; T575-R578 PolarHBondContact O-N 3.17Å; T575-S579 PolarHBondContact O-N 3.4Å; T575-S579 PolarHBondContact O-OG 3.01Å
576T47.9Very low48.2Very low82 Ų8291.2 Ų91.250%0.50351%0.505SS..Hα-helixtrans-66.3-39.8174.8-53.80000111.2A572 M573 R578 S579 V580A572-T576 WeakPolarHBondContact O-CB 3.34Å; A572-T576 PolarHBondContact O-N 2.73Å; A572-T576 PolarHBondContact O-OG1 3.35Å; M573-T576 PolarHBondContact O-N 3.38Å; T576-R578 VanDerWaalsContact C-N 3.32Å; T576-R578 PolarHBondContact O-N 2.78Å; T576-S579 PolarHBondContact O-N 2.91Å; T576-V580 HydrophobicContact CG2-CG2 4.18Å; T576-V580 WeakPolarHBondContact O-CB 3.37Å; T576-V580 WeakPolarHBondContact O-CG2 3.45Å; T576-V580 PolarHBondContact O-N 3.15Å
577S41.3Very low48Very low63 Ų6395.5 Ų95.544%0.44153%0.53SS..Hα-helixtrans-61.7-40.1172.7-65.10000111.5M573 I574 V580 V581M573-S577 WeakPolarHBondContact O-CB 2.73Å; M573-S577 PolarHBondContact O-N 2.74Å; M573-S577 PolarHBondContact O-OG 3.13Å; I574-S577 PolarHBondContact O-N 3.09Å; S577-V580 PolarHBondContact O-N 3.47Å; S577-V581 WeakPolarHBondContact O-CB 3.47Å; S577-V581 WeakPolarHBondContact O-CG2 3.43Å; S577-V581 PolarHBondContact O-N 3.25Å
578R49Very low47.4Very low171 Ų17194.4 Ų94.465%0.64554%0.544SS*.Hα-helixtrans-67.1-39.8175.9-161.6179.1-73.2-148.4-0.2111.6I574 T575 T576 Q582I574-R578 WeakPolarHBondContact O-CB 3.47Å; I574-R578 PolarHBondContact O-N 2.88Å; T575-R578 PolarHBondContact O-N 3.17Å; T576-R578 VanDerWaalsContact C-N 3.32Å; T576-R578 PolarHBondContact O-N 2.78Å; R578-Q582 WeakPolarHBondContact O-CB 3.47Å; R578-Q582 WeakPolarHBondContact O-CG 3.13Å; R578-Q582 PolarHBondContact O-N 2.81Å
579S47.9Very low46.9Very low63 Ų6395.7 Ų95.744%0.44155%0.552SS.*Hα-helixtrans-67.9-39174.4-56.20000112.7T575 T576 Q582 T583T575-S579 PolarHBondContact O-N 3.4Å; T575-S579 PolarHBondContact O-OG 3.01Å; T576-S579 PolarHBondContact O-N 2.91Å; S579-Q582 PolarHBondContact O-N 3.43Å; S579-T583 VanDerWaalsContact O-CB 3.28Å; S579-T583 WeakPolarHBondContact O-CB 3.2Å; S579-T583 PolarHBondContact O-N 3.25Å; S579-T583 PolarHBondContact O-OG1 3.41Å
580V49.8Very low46.6Very low94 Ų9493.9 Ų93.957%0.5755%0.55SS**Hα-helixtrans-72.4-33.9177.4172.40000111.4T576 S577 G584T576-V580 HydrophobicContact CG2-CG2 4.18Å; T576-V580 WeakPolarHBondContact O-CB 3.37Å; T576-V580 WeakPolarHBondContact O-CG2 3.45Å; T576-V580 PolarHBondContact O-N 3.15Å; S577-V580 PolarHBondContact O-N 3.47Å; V580-G584 WeakPolarHBondContact O-CA 3.36Å; V580-G584 PolarHBondContact O-N 3.16Å
581V52.4Low46.5Very low96 Ų9699.6 Ų99.658%0.58258%0.58SS**Hα-helixtrans-71.3-36.7172.3170.50000111.5S577 G584 K585S577-V581 WeakPolarHBondContact O-CB 3.47Å; S577-V581 WeakPolarHBondContact O-CG2 3.43Å; S577-V581 PolarHBondContact O-N 3.25Å; V581-G584 PolarHBondContact O-N 2.94Å; V581-K585 PolarHBondContact O-N 3.16Å
582Q51.3Low46.4Very low126 Ų12698.3 Ų98.359%0.58959%0.592SS**Hα-helixtrans-69.7-40.8173-79.2178.3-40.300112.2R578 S579 G584 K585 A586R578-Q582 WeakPolarHBondContact O-CB 3.47Å; R578-Q582 WeakPolarHBondContact O-CG 3.13Å; R578-Q582 PolarHBondContact O-N 2.81Å; S579-Q582 PolarHBondContact O-N 3.43Å; Q582-G584 VanDerWaalsContact C-N 3.34Å; Q582-K585 PolarHBondContact O-N 3.12Å; Q582-A586 PolarHBondContact O-N 3.3Å
583T48.8Very low46.2Very low88 Ų8899.8 Ų99.854%0.5461%0.612SS.*Hα-helixtrans-65.9-37.1171.8-59.70000111.1S579 A586 V587S579-T583 VanDerWaalsContact O-CB 3.28Å; S579-T583 WeakPolarHBondContact O-CB 3.2Å; S579-T583 PolarHBondContact O-N 3.25Å; S579-T583 PolarHBondContact O-OG1 3.41Å; T583-A586 PolarHBondContact O-N 3.38Å; T583-V587 HydrophobicContact CG2-CG2 4.32Å; T583-V587 WeakPolarHBondContact O-CB 3.28Å; T583-V587 VanDerWaalsContact O-CG2 3.26Å; T583-V587 WeakPolarHBondContact O-CG2 3.39Å; T583-V587 PolarHBondContact O-N 2.95Å
584G41.6Very low46Very low45 Ų4597.9 Ų97.946%0.46462%0.617SS.*Hα-helixtrans-65.6-35.1173.500000113.2V580 V581 Q582 G588V580-G584 WeakPolarHBondContact O-CA 3.36Å; V580-G584 PolarHBondContact O-N 3.16Å; V581-G584 PolarHBondContact O-N 2.94Å; Q582-G584 VanDerWaalsContact C-N 3.34Å; G584-G588 PolarHBondContact O-N 2.81Å
585K49.3Very low45.7Very low165 Ų165101.3 Ų101.372%0.71764%0.636SS**Hα-helixtrans-69.3-37.1170.6-96.9-177.6170.1-179.70112.8V581 Q582V581-K585 PolarHBondContact O-N 3.16Å; Q582-K585 PolarHBondContact O-N 3.12Å
586A45.2Very low45.2Very low66 Ų66104 Ų10455%0.54565%0.652SS.*Hα-helixtrans-72.1-37.3178.100000112.5Q582 T583Q582-A586 PolarHBondContact O-N 3.3Å; T583-A586 PolarHBondContact O-N 3.38Å
587V45Very low45Very low97 Ų97104.6 Ų104.659%0.58866%0.66SS**Hα-helixtrans-76.3-29.1175.8176.60000111.5T583 Q589 S590T583-V587 HydrophobicContact CG2-CG2 4.32Å; T583-V587 WeakPolarHBondContact O-CB 3.28Å; T583-V587 VanDerWaalsContact O-CG2 3.26Å; T583-V587 WeakPolarHBondContact O-CG2 3.39Å; T583-V587 PolarHBondContact O-N 2.95Å; V587-Q589 PolarHBondContact O-N 2.62Å; V587-S590 PolarHBondContact O-N 3.13Å
588G41.6Very low45Very low67 Ų67105.3 Ų105.369%0.69167%0.669SS**THydrogen-bonded Turntrans-69.6-11.6177.600000115.7G584G584-G588 PolarHBondContact O-N 2.81Å
589Q46.2Very low44.5Very low183 Ų183106.5 Ų106.586%0.85568%0.679SS**THydrogen-bonded Turntrans-97-5176.8-74.2-172.1-31.900113.9V587V587-Q589 PolarHBondContact O-N 2.62Å
590S44.4Very low44.1Very low75 Ų75107.3 Ų107.352%0.52469%0.685SS.*SBendtrans-131.2115.1178.165.80000111.5V587V587-S590 PolarHBondContact O-N 3.13Å
591V39.3Very low43.7Very low141 Ų141106.3 Ų106.386%0.85569%0.686SS**  trans82.1102.2168-164.10000115
592G45.4Very low42.8Very low80 Ų80108.9 Ų108.983%0.82569%0.694SS**  trans-67.9140.3166.300000112
593G42.8Very low42Very low77 Ų77106.2 Ų106.279%0.79469%0.689SS**  trans114.690.4168.200000114.2
594A38.5Very low41.4Very low93 Ų93105.2 Ų105.277%0.76969%0.686SS**  trans147.980.114700000111.9
595L41.3Very low41.1Very low174 Ų174113.2 Ų113.291%0.91170%0.702SS**  trans-106.677.5168.5-77171.5000110.5
596T41.3Very low40.5Very low137 Ų137113.3 Ų113.384%0.8470%0.703SS**SBendtrans-140.3-0.1163.2490000114.6
597S42.3Very low40.1Very low96 Ų96113.4 Ų113.467%0.67170%0.699SS**SBendtrans-96.5-13.6-172.2-158.90000116.3K599S597-K599 PolarHBondContact O-N 3.24Å
598A42.2Very low39.8Very low77 Ų77113.6 Ų113.664%0.63670%0.701SS**THydrogen-bonded Turntrans-82.2-4.8-17300000115.9
599K37.9Very low39.7Very low197 Ų197118.3 Ų118.386%0.85771%0.709SS**THydrogen-bonded Turntrans-87.2-16.7174.2-79.5-174.4175.9179.90114S597S597-K599 PolarHBondContact O-N 3.24Å
600S39.7Very low39.1Very low80 Ų80113.3 Ų113.356%0.55970%0.7SS**Hα-helixtrans-87-28-176-170.30000113.6M602 S603 S604S600-M602 PolarHBondContact O-N 3.04Å; S600-S603 PolarHBondContact O-OG 3.11Å; S600-S603 VanDerWaalsContact O-OG 3.05Å; S600-S604 PolarHBondContact O-N 3.14Å
601A40.6Very low38.5Very low73 Ų73117.5 Ų117.560%0.60371%0.711SS**Hα-helixtrans-73.6-27.8-177.700000113.7
602M34Very low38.2Very low149 Ų149116.6 Ų116.673%0.73471%0.708SS**Hα-helixtrans-79.4-26.2178-74.7-168.9-108.400113.4S600S600-M602 PolarHBondContact O-N 3.04Å
603S35.3Very low37.7Very low71 Ų71121.7 Ų121.750%0.49771%0.71SS.*Hα-helixtrans-78.9-33.6174.6550000112.6S600 W605 F606 S607S600-S603 PolarHBondContact O-OG 3.11Å; S600-S603 VanDerWaalsContact O-OG 3.05Å; S603-W605 PolarHBondContact O-N 3.32Å; S603-F606 PolarHBondContact O-N 3.42Å; S603-S607 PolarHBondContact O-N 3.04Å; S603-S607 VanDerWaalsContact O-N 3.1Å; S603-S607 PolarHBondContact O-OG 2.82Å
604S34.5Very low37.2Very low66 Ų66123.9 Ų123.946%0.46271%0.71SS.*Hα-helixtrans-64.4-36.4176.8176.80000113.3S600 S607 T608S600-S604 PolarHBondContact O-N 3.14Å; S604-S607 WeakPolarHBondContact CA-OG 3.34Å; S604-S607 PolarHBondContact O-N 3.39Å; S604-S607 PolarHBondContact O-OG 3.21Å; S604-S607 VanDerWaalsContact O-OG 3.04Å; S604-T608 PolarHBondContact O-N 3.16Å; S604-T608 PolarHBondContact O-OG1 2.79Å
605W36.3Very low36.9Very low214 Ų214127.7 Ų127.781%0.81172%0.717SS**Hα-helixtrans-69.9-38.4178.7-142.564.8000112.2S603S603-W605 PolarHBondContact O-N 3.32Å
606F37Very low36.5Very low167 Ų167125.7 Ų125.773%0.73271%0.712SS**Hα-helixtrans-73.1-29.7176.2-93.6-81.3000113.5S603S603-F606 PolarHBondContact O-N 3.42Å
607S35.4Very low36Very low67 Ų67125.1 Ų125.147%0.46971%0.711SS.*Hα-helixtrans-77.2-21.3177.557.30000113.9S603 S604S603-S607 PolarHBondContact O-N 3.04Å; S603-S607 VanDerWaalsContact O-N 3.1Å; S603-S607 PolarHBondContact O-OG 2.82Å; S604-S607 WeakPolarHBondContact CA-OG 3.34Å; S604-S607 PolarHBondContact O-N 3.39Å; S604-S607 PolarHBondContact O-OG 3.21Å; S604-S607 VanDerWaalsContact O-OG 3.04Å
608T39.7Very low35.3Very low102 Ų102126.3 Ų126.363%0.62672%0.719SS**Hα-helixtrans-81.4-16.7-179.3-47.10000112.7S604S604-T608 PolarHBondContact O-N 3.16Å; S604-T608 PolarHBondContact O-OG1 2.79Å
609L38.6Very low34.9Very low165 Ų165128.2 Ų128.286%0.86473%0.727SS**THydrogen-bonded Turntrans-88.2-3.9176.7-149.381000113.4
610A34.3Very low34.5Very low79 Ų79122.2 Ų122.265%0.65372%0.722SS**SBendtrans-120.419.2-169.700000114.5
611Q32.2Very low34.3Very low163 Ų163124.8 Ų124.876%0.76274%0.737SS**  trans-105.4126.4175.4-74.7-170.7-20.500112.1
612P33.4Very low33.9Very low121 Ų121130.1 Ų130.179%0.78675%0.749SS**PPolyproline II helixtrans-66.9143159.8-8.824.4000109.7
613Q33.4Very low34.3Very low188 Ų188128.4 Ų128.488%0.87975%0.749SS**PPolyproline II helixtrans-59135.8177.5-71.9-168.1-22.400111.9
614P32.8Very low34.1Very low122 Ų122129.1 Ų129.179%0.79276%0.759SS**PPolyproline II helixtrans-78.2130.917028.1-28.9000111.4T616P614-T616 PolarHBondContact O-N 3.45Å
615L32Very low34Very low173 Ų173130.9 Ų130.991%0.90677%0.771SS**PPolyproline II helixtrans-56.4126.5167.8-73.7149.7000110.6
616T32.7Very low33.8Very low133 Ų133129 Ų12982%0.81677%0.771SS**PPolyproline II helixtrans-69.9128.9171.145.10000111.1P614P614-T616 PolarHBondContact O-N 3.45Å
617P31.4Very low33.6Very low125 Ų125127 Ų12781%0.81277%0.773SS**PPolyproline II helixtrans-77.9128.6168.629.1-29.5000110.6S619P617-S619 PolarHBondContact O-N 2.98Å
618S28.5Very low33.5Very low121 Ų121132.4 Ų132.485%0.84679%0.788SS**  trans-70.2115.1172.354.70000110.9
619S32.4Very low34.3Very low116 Ų116136.3 Ų136.381%0.81182%0.815SS**  trans-89.1110.1162.556.10000109.3P617P617-S619 PolarHBondContact O-N 2.98Å
620G30.6Very low34Very low72 Ų72134.9 Ų134.974%0.74281%0.813SS**  trans-76.3165.616400000111.6
621P34.7Very low34Very low134 Ų134137.8 Ų137.887%0.8782%0.821SS**  trans-120.4141141.729.4-15.4000111.4
622E32.3Very low34.1Very low185 Ų185136.4 Ų136.486%0.86482%0.824SS**  trans-78-176.3-179.7-139-168.1176.800111.6
623P43.4Very low34.2Very low112 Ų112137.3 Ų137.373%0.72783%0.827SS**  -115.1173.2-103.339.9-24.9000114.4
624A30.1Very low34.2Very low86 Ų86134.1 Ų134.171%0.71182%0.823SS**  173.7129.2128.800000112.6
625S32.5Very low34.3Very low103 Ų103134.9 Ų134.972%0.7283%0.825SS**  trans39.9133.4141.763.80000119.2
626E32.1Very low34.5Very low174 Ų174132.2 Ų132.281%0.81382%0.82SS**  cis174.2159.541-137.1-179-179.700109.8
627V33.7Very low34.6Very low126 Ų126132.2 Ų132.276%0.76482%0.82SS**  trans75.1118.6151.9-172.10000121.5
628K32.1Very low34.9Very low180 Ų180132.8 Ų132.878%0.78382%0.821SS**  trans-68160.6163.8-107-175178.7-175.40112.9
629P56.1Low35.5Very low184 Ų184133.8 Ų133.8100%1.19582%0.818SS**  -108.6081.9-13.331.3000114.4

Retrieved 629 of 629 residues in 346.9 ms (Link to these results)

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