A0A087YM49_POEFO Loading...

Small ArfGAP 1

AlphaFold DB , UniProt , Accession A0A087YM49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1M71.4Confident89.7Confident230 Ų230117.7 Ų117.7100%1.13358%0.576SS**  0139.70-59.3178.2-17000108T3M1-T3 PolarHBondContact O-N 3Å
2T83.1Confident90.1Very high83 Ų83118.6 Ų118.651%0.50957%0.574SS.*  trans-62.7128.2173.3-470000110.6E6 R7T2-E6 HydrophobicContact CG2-CB 3.52Å; T2-E6 HydrophobicContact CG2-CG 4.46Å; T2-R7 HydrophobicContact CG2-CG 4.16Å; T2-R7 PolarHBondContact O-NE 3.31Å; T2-R7 VanDerWaalsContact O-NE 3.12Å; T2-R7 PolarHBondContact O-NH2 2.8Å
3T92.3Very high90.3Very high76 Ų76115.2 Ų115.247%0.46656%0.56SS.*  trans-66.2163.1-177.967.40000111.9M1 S5 E6 R7M1-T3 PolarHBondContact O-N 3Å; T3-S5 PolarHBondContact O-N 3.41Å; T3-E6 WeakPolarHBondContact CA-OE2 3.48Å; T3-E6 VanDerWaalsContact CB-OE2 3.24Å; T3-E6 WeakPolarHBondContact CB-OE2 3.48Å; T3-E6 VanDerWaalsContact CG2-OE2 3.32Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.41Å; T3-E6 PolarHBondContact N-OE2 3.34Å; T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 VanDerWaalsContact OG1-CD 3.28Å; T3-E6 VanDerWaalsContact OG1-CG 3.29Å; T3-E6 WeakPolarHBondContact OG1-CG 3.33Å; T3-E6 PolarHBondContact OG1-N 3.05Å; T3-E6 PolarHBondContact OG1-OE2 3.02Å; T3-R7 WeakPolarHBondContact O-CG 3.12Å; T3-R7 PolarHBondContact O-N 2.86Å
4R92.5Very high90.5Very high192 Ų192111.1 Ų111.173%0.72554%0.542SS*.Hα-helixtrans-57.7-46175.2179.7176.6166.5167.31112.1E6 R7 E8R4-E6 VanDerWaalsContact C-N 3.34Å; R4-E6 PolarHBondContact O-N 3.06Å; R4-R7 PolarHBondContact O-N 3.3Å; R4-E8 HydrophobicContact CG-CG 4.45Å; R4-E8 IonicContact CZ-OE1 2.71Å; R4-E8 VanDerWaalsContact CZ-OE1 3.28Å; R4-E8 IonicContact NE-OE1 2.86Å; R4-E8 PolarHBondContact NE-OE1 3.21Å; R4-E8 IonicContact NE-OE2 2.7Å; R4-E8 IonicContact NH2-OE1 3.52Å; R4-E8 PolarHBondContact NH2-OE1 2.93Å; R4-E8 WeakPolarHBondContact O-CG 3.41Å; R4-E8 PolarHBondContact O-N 3.31Å
5S93.4Very high90.8Very high55 Ų55110.5 Ų110.539%0.38554%0.537SS..Hα-helixtrans-63.6-36.7-178.9-174.80000112.9T3 K9T3-S5 PolarHBondContact O-N 3.41Å; S5-K9 WeakPolarHBondContact O-CB 3.17Å; S5-K9 WeakPolarHBondContact O-CD 3.29Å; S5-K9 WeakPolarHBondContact O-CG 3.21Å; S5-K9 PolarHBondContact O-N 3.35Å; S5-K9 WeakPolarHBondContact OG-CE 3.4Å; S5-K9 PolarHBondContact OG-NZ 3.07Å
6E92.9Very high91.1Very high96 Ų96110.1 Ų110.145%0.44953%0.534SS..Hα-helixtrans-66.9-38.2175.3-71.5163.1127.800112.1T2 T3 R4 K9 A10T2-E6 HydrophobicContact CG2-CB 3.52Å; T2-E6 HydrophobicContact CG2-CG 4.46Å; T3-E6 WeakPolarHBondContact CA-OE2 3.48Å; T3-E6 VanDerWaalsContact CB-OE2 3.24Å; T3-E6 WeakPolarHBondContact CB-OE2 3.48Å; T3-E6 VanDerWaalsContact CG2-OE2 3.32Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.41Å; T3-E6 PolarHBondContact N-OE2 3.34Å; T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 VanDerWaalsContact OG1-CD 3.28Å; T3-E6 VanDerWaalsContact OG1-CG 3.29Å; T3-E6 WeakPolarHBondContact OG1-CG 3.33Å; T3-E6 PolarHBondContact OG1-N 3.05Å; T3-E6 PolarHBondContact OG1-OE2 3.02Å; R4-E6 VanDerWaalsContact C-N 3.34Å; R4-E6 PolarHBondContact O-N 3.06Å; E6-K9 PolarHBondContact O-N 3.37Å; E6-A10 WeakPolarHBondContact O-CB 3.28Å; E6-A10 PolarHBondContact O-N 3.23Å
7R91.6Very high91.4Very high155 Ų155104.4 Ų104.459%0.58551%0.506SS*.Hα-helixtrans-65.1-45.6174.7-63176.4-157.5-160.83.8111.7T2 T3 R4 K9 A10 Q11T2-R7 HydrophobicContact CG2-CG 4.16Å; T2-R7 PolarHBondContact O-NE 3.31Å; T2-R7 VanDerWaalsContact O-NE 3.12Å; T2-R7 PolarHBondContact O-NH2 2.8Å; T3-R7 WeakPolarHBondContact O-CG 3.12Å; T3-R7 PolarHBondContact O-N 2.86Å; R4-R7 PolarHBondContact O-N 3.3Å; R7-K9 VanDerWaalsContact C-N 3.32Å; R7-K9 PolarHBondContact O-N 3.12Å; R7-A10 PolarHBondContact O-N 2.81Å; R7-Q11 WeakPolarHBondContact O-CB 3.43Å; R7-Q11 PolarHBondContact O-N 3.49Å
8E94.4Very high91.7Very high89 Ų89100.7 Ų100.742%0.41649%0.488SS..Hα-helixtrans-61.9-38.9177.3-70.4166.9160.100111.6R4 K12R4-E8 HydrophobicContact CG-CG 4.45Å; R4-E8 IonicContact CZ-OE1 2.71Å; R4-E8 VanDerWaalsContact CZ-OE1 3.28Å; R4-E8 IonicContact NE-OE1 2.86Å; R4-E8 PolarHBondContact NE-OE1 3.21Å; R4-E8 IonicContact NE-OE2 2.7Å; R4-E8 IonicContact NH2-OE1 3.52Å; R4-E8 PolarHBondContact NH2-OE1 2.93Å; R4-E8 WeakPolarHBondContact O-CG 3.41Å; R4-E8 PolarHBondContact O-N 3.31Å; E8-K12 WeakPolarHBondContact O-CB 3.42Å; E8-K12 PolarHBondContact O-N 3.36Å; E8-K12 VanDerWaalsContact O-N 3.12Å
9K93.4Very high92Very high139 Ų13998.6 Ų98.660%0.60449%0.489SS*.Hα-helixtrans-65.1-46172.6-73.3165-175.9169.30112.4S5 E6 R7 K12 L13S5-K9 WeakPolarHBondContact O-CB 3.17Å; S5-K9 WeakPolarHBondContact O-CD 3.29Å; S5-K9 WeakPolarHBondContact O-CG 3.21Å; S5-K9 PolarHBondContact O-N 3.35Å; S5-K9 WeakPolarHBondContact OG-CE 3.4Å; S5-K9 PolarHBondContact OG-NZ 3.07Å; E6-K9 PolarHBondContact O-N 3.37Å; R7-K9 VanDerWaalsContact C-N 3.32Å; R7-K9 PolarHBondContact O-N 3.12Å; K9-K12 PolarHBondContact O-N 3.05Å; K9-L13 WeakPolarHBondContact O-CB 3.44Å; K9-L13 PolarHBondContact O-N 2.74Å
10A89.9Confident92.3Very high61 Ų6196.9 Ų96.950%0.50448%0.481SS..Hα-helixtrans-64.1-40.3179.500000112.1E6 R7 L13 N14E6-A10 WeakPolarHBondContact O-CB 3.28Å; E6-A10 PolarHBondContact O-N 3.23Å; R7-A10 PolarHBondContact O-N 2.81Å; A10-L13 PolarHBondContact O-N 3.47Å; A10-N14 PolarHBondContact O-N 3.34Å
11Q92Very high92.5Very high119 Ų11992.2 Ų92.256%0.55646%0.458SS*.Hα-helixtrans-59.4-52.9173.1176.9178.4-17.500111.1R7 L13 N14 E15R7-Q11 WeakPolarHBondContact O-CB 3.43Å; R7-Q11 PolarHBondContact O-N 3.49Å; Q11-L13 VanDerWaalsContact C-N 3.27Å; Q11-L13 PolarHBondContact O-N 3.49Å; Q11-N14 PolarHBondContact O-N 3.12Å; Q11-N14 VanDerWaalsContact O-N 3.09Å; Q11-E15 HydrophobicContact CG-CG 4.44Å; Q11-E15 VanDerWaalsContact CG-OE1 3.28Å; Q11-E15 WeakPolarHBondContact CG-OE1 3.35Å; Q11-E15 PolarHBondContact NE2-OE1 3.4Å; Q11-E15 WeakPolarHBondContact O-CG 3.35Å; Q11-E15 PolarHBondContact O-N 3.3Å
12K93.9Very high93.7Very high128 Ų12884.1 Ų84.156%0.55742%0.421SS*.Hα-helixtrans-58.3-38.2179.8-177.7174.6179.5176.30112.7E8 K9 E15 Q16E8-K12 WeakPolarHBondContact O-CB 3.42Å; E8-K12 PolarHBondContact O-N 3.36Å; E8-K12 VanDerWaalsContact O-N 3.12Å; K9-K12 PolarHBondContact O-N 3.05Å; K12-E15 PolarHBondContact O-N 3.46Å; K12-Q16 VanDerWaalsContact O-CG 3.29Å; K12-Q16 WeakPolarHBondContact O-CG 3.42Å; K12-Q16 PolarHBondContact O-N 2.98Å
13L93.6Very high94.4Very high74 Ų7487 Ų8739%0.38743%0.427SS..Hα-helixtrans-67.2-40.7176.4-178.7139.3000111.7K9 A10 Q11 Q16 H17K9-L13 WeakPolarHBondContact O-CB 3.44Å; K9-L13 PolarHBondContact O-N 2.74Å; A10-L13 PolarHBondContact O-N 3.47Å; Q11-L13 VanDerWaalsContact C-N 3.27Å; Q11-L13 PolarHBondContact O-N 3.49Å; L13-Q16 PolarHBondContact O-N 2.95Å; L13-H17 WeakPolarHBondContact CD2-CE1 3.21Å; L13-H17 PolarHBondContact O-CD2 3.44Å; L13-H17 VanDerWaalsContact O-CD2 3.26Å; L13-H17 VanDerWaalsContact O-CG 3.23Å; L13-H17 PolarHBondContact O-N 2.86Å
14N92.4Very high94.7Very high58 Ų5883.9 Ų83.931%0.3141%0.407SS..Hα-helixtrans-66-38.6173.7-170.760.9000112.5A10 Q11 H17 Q18A10-N14 PolarHBondContact O-N 3.34Å; Q11-N14 PolarHBondContact O-N 3.12Å; Q11-N14 VanDerWaalsContact O-N 3.09Å; N14-H17 PolarHBondContact O-N 2.71Å; N14-Q18 WeakPolarHBondContact O-CG 3.29Å; N14-Q18 PolarHBondContact O-N 3.45Å
15E94.8Very high94.9Very high102 Ų10275.6 Ų75.648%0.47738%0.377SS..Hα-helixtrans-62.2-41.4172.9-71.2167.8-178.200111.8Q11 K12 Q18 A19Q11-E15 HydrophobicContact CG-CG 4.44Å; Q11-E15 VanDerWaalsContact CG-OE1 3.28Å; Q11-E15 WeakPolarHBondContact CG-OE1 3.35Å; Q11-E15 PolarHBondContact NE2-OE1 3.4Å; Q11-E15 WeakPolarHBondContact O-CG 3.35Å; Q11-E15 PolarHBondContact O-N 3.3Å; K12-E15 PolarHBondContact O-N 3.46Å; E15-Q18 PolarHBondContact O-N 2.98Å; E15-A19 WeakPolarHBondContact O-CB 3.32Å; E15-A19 PolarHBondContact O-N 3.39Å
16Q96.3Very high95.1Very high104 Ų10481.5 Ų81.549%0.48639%0.391SS..Hα-helixtrans-62.5-43.7173.3-74.7173.3-3700112K12 L13 A19 I20K12-Q16 VanDerWaalsContact O-CG 3.29Å; K12-Q16 WeakPolarHBondContact O-CG 3.42Å; K12-Q16 PolarHBondContact O-N 2.98Å; L13-Q16 PolarHBondContact O-N 2.95Å; Q16-A19 PolarHBondContact O-N 3.44Å; Q16-I20 WeakPolarHBondContact O-CG1 3.24Å; Q16-I20 PolarHBondContact O-N 2.9Å
17H96.7Very high95.2Very high13 Ų1380.6 Ų80.66%0.0639%0.387CS..Hα-helixtrans-60.6-45.8175.9-69.7-175.2000111.9L13 N14 A19 I20 L21 W78 I83L13-H17 WeakPolarHBondContact CD2-CE1 3.21Å; L13-H17 PolarHBondContact O-CD2 3.44Å; L13-H17 VanDerWaalsContact O-CD2 3.26Å; L13-H17 VanDerWaalsContact O-CG 3.23Å; L13-H17 PolarHBondContact O-N 2.86Å; N14-H17 PolarHBondContact O-N 2.71Å; H17-A19 VanDerWaalsContact C-N 3.34Å; H17-A19 PolarHBondContact O-N 3.31Å; H17-I20 PolarHBondContact O-N 3.46Å; H17-L21 WeakPolarHBondContact O-CG 3.37Å; H17-L21 PolarHBondContact O-N 2.76Å; H17-W78 HydrophobicContact CB-CB 4.5Å; H17-W78 PolarHBondContact CE1-O 3.42Å; H17-W78 VanDerWaalsContact CE1-O 3.26Å; H17-W78 PolarHBondContact ND1-O 3.12Å; H17-I83 HydrophobicContact CB-CD1 3.8Å; H17-I83 HydrophobicContact CB-CG1 3.9Å
18Q96.6Very high95.4Very high39 Ų3979.2 Ų79.218%0.18239%0.387CS..Hα-helixtrans-62.9-37.8175.6-72.2-62.4-31.200112.5N14 E15 T22 V73N14-Q18 WeakPolarHBondContact O-CG 3.29Å; N14-Q18 PolarHBondContact O-N 3.45Å; E15-Q18 PolarHBondContact O-N 2.98Å; Q18-T22 WeakPolarHBondContact O-CB 3.43Å; Q18-T22 PolarHBondContact O-N 3.43Å; Q18-T22 PolarHBondContact O-OG1 3.4Å; Q18-V73 PolarHBondContact NE2-O 3.45Å; Q18-V73 PolarHBondContact OE1-O 2.95Å
19A97.1Very high95.5Very high60 Ų6076.8 Ų76.850%0.49638%0.377SS..Hα-helixtrans-65.1-39.7174.800000112.5E15 Q16 H17 T22 K23E15-A19 WeakPolarHBondContact O-CB 3.32Å; E15-A19 PolarHBondContact O-N 3.39Å; Q16-A19 PolarHBondContact O-N 3.44Å; H17-A19 VanDerWaalsContact C-N 3.34Å; H17-A19 PolarHBondContact O-N 3.31Å; A19-T22 PolarHBondContact O-N 3.19Å; A19-K23 PolarHBondContact O-N 3Å
20I97.4Very high95.7Very high64 Ų6470.1 Ų70.133%0.32835%0.348SS..Hα-helixtrans-66.3-48.4176.5-66.1161.9000110.8Q16 H17 T22 K23 L24 I83 V87Q16-I20 WeakPolarHBondContact O-CG1 3.24Å; Q16-I20 PolarHBondContact O-N 2.9Å; H17-I20 PolarHBondContact O-N 3.46Å; I20-T22 VanDerWaalsContact C-N 3.29Å; I20-T22 PolarHBondContact O-N 2.63Å; I20-K23 WeakPolarHBondContact O-CA 3.31Å; I20-K23 WeakPolarHBondContact O-CB 3.35Å; I20-K23 PolarHBondContact O-N 2.81Å; I20-L24 HydrophobicContact CG2-CD1 4.4Å; I20-L24 PolarHBondContact O-N 2.85Å; I20-I83 HydrophobicContact CB-CG2 4.07Å; I20-I83 HydrophobicContact CD1-CG2 3.95Å; I20-I83 HydrophobicContact CG2-CG2 3.61Å; I20-V87 HydrophobicContact CG2-CG2 3.81Å
21L97.5Very high96.1Very high0 Ų070.8 Ų70.80%034%0.339CS..Hα-helixtrans-61.1-39.2176.8-68166.6000111.9H17 K23 L24 L25 F51 V73 W78 I83 M86H17-L21 WeakPolarHBondContact O-CG 3.37Å; H17-L21 PolarHBondContact O-N 2.76Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 2.86Å; L21-L24 PolarHBondContact O-N 2.98Å; L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3Å; L21-F51 HydrophobicContact CD2-CE1 4.3Å; L21-F51 HydrophobicContact CD2-CZ 4.3Å; L21-V73 HydrophobicContact CB-CG1 3.72Å; L21-V73 HydrophobicContact CD1-CG1 4.03Å; L21-V73 HydrophobicContact CG-CG1 4.33Å; L21-W78 HydrophobicContact CD1-CD2 3.9Å; L21-W78 HydrophobicContact CD1-CG 3.97Å; L21-W78 HydrophobicContact CD1-CZ2 4.44Å; L21-W78 HydrophobicContact CD2-CZ3 4.48Å; L21-I83 HydrophobicContact CD1-CD1 3.61Å; L21-I83 HydrophobicContact CD2-CD1 3.91Å; L21-I83 HydrophobicContact CG-CD1 3.61Å; L21-M86 HydrophobicContact CD2-CB 4.46Å; L21-M86 HydrophobicContact CD2-CG 4.38Å
22T96.8Very high96.3Very high59 Ų5969.5 Ų69.536%0.36233%0.33SS..Hα-helixtrans-65.9-30.3174.3-61.40000112.5Q18 A19 I20 R26Q18-T22 WeakPolarHBondContact O-CB 3.43Å; Q18-T22 PolarHBondContact O-N 3.43Å; Q18-T22 PolarHBondContact O-OG1 3.4Å; A19-T22 PolarHBondContact O-N 3.19Å; I20-T22 VanDerWaalsContact C-N 3.29Å; I20-T22 PolarHBondContact O-N 2.63Å; T22-R26 WeakPolarHBondContact O-CG 3.49Å; T22-R26 PolarHBondContact O-NE 3.28Å
23K97.6Very high96.5Very high144 Ų14463.5 Ų63.563%0.62630%0.304SS*.Hα-helixtrans-70.2-50.7172.2-176.9-166.9171.2-165.60110.8A19 I20 L21 L25 R26A19-K23 PolarHBondContact O-N 3Å; I20-K23 WeakPolarHBondContact O-CA 3.31Å; I20-K23 WeakPolarHBondContact O-CB 3.35Å; I20-K23 PolarHBondContact O-N 2.81Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 2.86Å; K23-L25 VanDerWaalsContact C-N 3.28Å; K23-L25 PolarHBondContact O-N 2.79Å; K23-R26 WeakPolarHBondContact O-CB 3.43Å; K23-R26 PolarHBondContact O-N 3.22Å
24L97.4Very high96.7Very high11 Ų1160.6 Ų60.66%0.05829%0.291CS..Hα-helixtrans-55.8-44.1179.1-68.6172.9000111.2I20 L21 R26 E27 N30 F51 M86 V87I20-L24 HydrophobicContact CG2-CD1 4.4Å; I20-L24 PolarHBondContact O-N 2.85Å; L21-L24 PolarHBondContact O-N 2.98Å; L24-R26 PolarHBondContact O-N 3.06Å; L24-E27 WeakPolarHBondContact O-CB 3.45Å; L24-E27 PolarHBondContact O-N 3.08Å; L24-N30 VanDerWaalsContact O-CB 3.22Å; L24-N30 WeakPolarHBondContact O-CB 3.35Å; L24-N30 PolarHBondContact O-ND2 3.11Å; L24-F51 HydrophobicContact CB-CE2 3.84Å; L24-F51 HydrophobicContact CB-CZ 3.71Å; L24-F51 HydrophobicContact CD1-CE2 4.27Å; L24-F51 HydrophobicContact CD1-CZ 3.96Å; L24-M86 HydrophobicContact CD1-CB 3.89Å; L24-V87 HydrophobicContact CD1-CG2 3.99Å; L24-V87 HydrophobicContact CD2-CG2 4.31Å
25L97.2Very high97Very high18 Ų1857.8 Ų57.89%0.09428%0.276CS..THydrogen-bonded Turntrans-65.2-0.6176.9-76.2170.2000115.8L21 K23 N30 P41 F51 V73L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3Å; K23-L25 VanDerWaalsContact C-N 3.28Å; K23-L25 PolarHBondContact O-N 2.79Å; L25-N30 WeakPolarHBondContact CD2-O 3.29Å; L25-P41 HydrophobicContact CD2-CG 4.07Å; L25-P41 WeakPolarHBondContact CD2-O 3.34Å; L25-F51 HydrophobicContact CD1-CE1 4.35Å; L25-F51 HydrophobicContact CD2-CB 4.37Å; L25-F51 HydrophobicContact CD2-CD1 3.58Å; L25-F51 HydrophobicContact CD2-CE1 3.89Å; L25-F51 HydrophobicContact CD2-CG 3.94Å; L25-F51 HydrophobicContact CD2-CZ 4.49Å; L25-F51 HydrophobicContact CG-CD1 4.08Å; L25-F51 HydrophobicContact CG-CE1 3.85Å; L25-F51 HydrophobicContact CG-CZ 4.3Å; L25-V73 HydrophobicContact CD1-CB 4.47Å; L25-V73 HydrophobicContact CD1-CG1 3.8Å; L25-V73 HydrophobicContact CD1-CG2 4.32Å
26R96.8Very high97.1Very high178 Ų17853 Ų5367%0.67225%0.253SS*.THydrogen-bonded Turntrans-94.7-16.3170.7-64.4168.4-173.2-169.8-1.2113T22 K23 L24 K31T22-R26 WeakPolarHBondContact O-CG 3.49Å; T22-R26 PolarHBondContact O-NE 3.28Å; K23-R26 WeakPolarHBondContact O-CB 3.43Å; K23-R26 PolarHBondContact O-N 3.22Å; L24-R26 PolarHBondContact O-N 3.06Å; R26-K31 WeakPolarHBondContact O-CE 3.27Å
27E96.3Very high97Very high78 Ų7852.4 Ų52.436%0.36425%0.25SS..SBendtrans-68.7139.1176-62.5163.1-173.300109.7L24 D29 N30 K31L24-E27 WeakPolarHBondContact O-CB 3.45Å; L24-E27 PolarHBondContact O-N 3.08Å; E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 3.49Å; E27-N30 HydrophobicContact CB-CB 4.42Å; E27-N30 PolarHBondContact O-N 3.26Å; E27-N30 PolarHBondContact OE2-ND2 3.47Å; E27-K31 PolarHBondContact O-N 3.38Å
28E96.2Very high97Very high125 Ų12553.4 Ų53.458%0.58426%0.261SS*.G310 helixtrans-55.7-43.8-166.7-60.3-54.514000113.6N30 K31 Y32E28-N30 VanDerWaalsContact C-N 3.31Å; E28-N30 PolarHBondContact O-N 3.09Å; E28-K31 WeakPolarHBondContact O-CB 3.47Å; E28-K31 PolarHBondContact O-N 3Å; E28-K31 IonicContact OE1-NZ 3.71Å; E28-K31 PolarHBondContact OE1-NZ 3.42Å; E28-K31 WeakPolarHBondContact OE2-CD 3.34Å; E28-K31 WeakPolarHBondContact OE2-CE 3.09Å; E28-K31 IonicContact OE2-NZ 2.71Å; E28-K31 PolarHBondContact OE2-NZ 2.86Å; E28-Y32 WeakPolarHBondContact O-CD2 3.48Å
29D95.4Very high97.1Very high38 Ų3859.6 Ų59.620%0.20329%0.287CS..G310 helixtrans-68-28.4178.2-71.7-43.3000113.7E27 K31 N91 T92 R95E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 3.49Å; D29-K31 VanDerWaalsContact C-N 3.29Å; D29-N91 HydrophobicContact CB-CB 3.9Å; D29-N91 WeakPolarHBondContact O-CB 3.4Å; D29-N91 PolarHBondContact O-ND2 2.92Å; D29-T92 WeakPolarHBondContact CB-OG1 3.41Å; D29-T92 WeakPolarHBondContact OD2-CA 3.41Å; D29-T92 VanDerWaalsContact OD2-CB 3.32Å; D29-T92 WeakPolarHBondContact OD2-CB 3.48Å; D29-T92 WeakPolarHBondContact OD2-CG2 3.36Å; D29-T92 PolarHBondContact OD2-OG1 3.14Å; D29-R95 VanDerWaalsContact CG-NH1 3.33Å; D29-R95 IonicContact OD1-CZ 3.99Å; D29-R95 IonicContact OD1-NH1 2.92Å; D29-R95 PolarHBondContact OD1-NH1 3.42Å; D29-R95 IonicContact OD1-NH2 3.28Å; D29-R95 PolarHBondContact OD1-NH2 3.38Å; D29-R95 IonicContact OD2-NH1 2.73Å
30N97.7Very high97Very high0 Ų058.5 Ų58.50%028%0.283CS..G310 helixtrans-82.6-7.2178.6-62.5-27.3000112.2L24 L25 E27 E28 Y32 P41 F51 N91L24-N30 VanDerWaalsContact O-CB 3.22Å; L24-N30 WeakPolarHBondContact O-CB 3.35Å; L24-N30 PolarHBondContact O-ND2 3.11Å; L25-N30 WeakPolarHBondContact CD2-O 3.29Å; E27-N30 HydrophobicContact CB-CB 4.42Å; E27-N30 PolarHBondContact O-N 3.26Å; E27-N30 PolarHBondContact OE2-ND2 3.47Å; E28-N30 VanDerWaalsContact C-N 3.31Å; E28-N30 PolarHBondContact O-N 3.09Å; N30-Y32 PolarHBondContact O-N 3.31Å; N30-P41 WeakPolarHBondContact O-CG 3.5Å; N30-F51 HydrophobicContact CB-CD2 3.94Å; N30-F51 HydrophobicContact CB-CE2 4.31Å; N30-F51 WeakPolarHBondContact OD1-CD2 3.06Å; N30-N91 VanDerWaalsContact OD1-CB 3.25Å; N30-N91 WeakPolarHBondContact OD1-CB 2.99Å; N30-N91 PolarHBondContact OD1-N 2.87Å
31K97.6Very high97Very high75 Ų7555.5 Ų55.533%0.32627%0.267SS..G310 helixtrans-74.7-12.2171.7-62.8177.4-168.21740113.1R26 E27 E28 D29 G40 P41R26-K31 WeakPolarHBondContact O-CE 3.27Å; E27-K31 PolarHBondContact O-N 3.38Å; E28-K31 WeakPolarHBondContact O-CB 3.47Å; E28-K31 PolarHBondContact O-N 3Å; E28-K31 IonicContact OE1-NZ 3.71Å; E28-K31 PolarHBondContact OE1-NZ 3.42Å; E28-K31 WeakPolarHBondContact OE2-CD 3.34Å; E28-K31 WeakPolarHBondContact OE2-CE 3.09Å; E28-K31 IonicContact OE2-NZ 2.71Å; E28-K31 PolarHBondContact OE2-NZ 2.86Å; D29-K31 VanDerWaalsContact C-N 3.29Å; K31-G40 PolarHBondContact O-N 3.26Å; K31-P41 VanDerWaalsContact C-CD 3.49Å; K31-P41 VanDerWaalsContact O-CD 3.28Å; K31-P41 WeakPolarHBondContact O-CD 3.37Å
32Y97.8Very high97Very high92 Ų9261 Ų6136%0.36129%0.288SS..BIsolated β-bridgetrans-123.6148.3-176.6-60.5-88.7000110.8E28 N30 A34 E37 K39 N91E28-Y32 WeakPolarHBondContact O-CD2 3.48Å; N30-Y32 PolarHBondContact O-N 3.31Å; Y32-A34 PolarHBondContact O-N 3.3Å; Y32-E37 WeakPolarHBondContact CD1-O 3.46Å; Y32-K39 HydrophobicContact CD1-CG 3.83Å; Y32-K39 HydrophobicContact CE1-CD 4.23Å; Y32-K39 HydrophobicContact CE1-CG 3.54Å; Y32-N91 PolarHBondContact O-ND2 3.36Å
33C98.1Very high97.1Very high2 Ų259.9 Ų59.91%0.01428%0.277CS..  trans-63.3127.8174.4179.70000110.8D35 E37 A38 C53 C56C33-D35 PolarHBondContact O-N 3.33Å; C33-E37 WeakPolarHBondContact O-CA 3.34Å; C33-E37 PolarHBondContact O-N 2.96Å; C33-A38 HydrophobicContact CB-CB 4.12Å; C33-A38 WeakPolarHBondContact CB-O 3.44Å; C33-A38 PolarHBondContact N-O 2.95Å; C33-C53 HydrophobicContact CB-CB 4.1Å; C33-C53 PolarHBondContact SG-N 3.43Å; C33-C53 VanDerWaalsContact SG-SG 3.67Å; C33-C56 VanDerWaalsContact SG-SG 3.62Å
34A97.7Very high97.2Very high12 Ų1253 Ų5310%0.09925%0.247CC..THydrogen-bonded Turntrans-56.5-17.6-177.900000115.3Y32 V50 F51 R108 K122Y32-A34 PolarHBondContact O-N 3.3Å; A34-V50 HydrophobicContact CB-CB 3.92Å; A34-V50 HydrophobicContact CB-CG1 3.95Å; A34-F51 WeakPolarHBondContact CB-O 3.44Å; A34-F51 PolarHBondContact N-O 3.07Å; A34-R108 PolarHBondContact O-NH1 3.08Å; A34-K122 PolarHBondContact O-NZ 2.92Å
35D97.4Very high97.2Very high0 Ų052.5 Ų52.50%024%0.244CC..THydrogen-bonded Turntrans-116.6-35.7-171.3-47.5-59.3000114C33 H60 R108 F118 I119 K122 Y123C33-D35 PolarHBondContact O-N 3.33Å; D35-H60 IonicContact OD2-NE2 3.15Å; D35-R108 WeakPolarHBondContact O-CD 3.46Å; D35-R108 PolarHBondContact O-NH1 3.5Å; D35-F118 HydrophobicContact CB-CE1 4.47Å; D35-F118 WeakPolarHBondContact O-CE1 3.37Å; D35-I119 HydrophobicContact CB-CD1 3.85Å; D35-I119 HydrophobicContact CB-CG1 3.84Å; D35-K122 IonicContact OD1-NZ 2.72Å; D35-K122 PolarHBondContact OD1-NZ 3.02Å; D35-Y123 VanDerWaalsContact OD1-CE2 3.23Å; D35-Y123 WeakPolarHBondContact OD1-CE2 3.48Å; D35-Y123 PolarHBondContact OD1-OH 3.4Å
36C96.6Very high97.2Very high0 Ų054.2 Ų54.20%025%0.25CC..THydrogen-bonded Turntrans-129.39.9-17871.20000114.9A38 C53 C56 Q110 V115C36-A38 PolarHBondContact O-N 3.02Å; C36-C53 VanDerWaalsContact SG-SG 3.67Å; C36-C56 PolarHBondContact SG-SG 3.21Å; C36-Q110 PolarHBondContact O-NE2 2.57Å; C36-V115 HydrophobicContact CB-CG1 4.41Å; C36-V115 HydrophobicContact CB-CG2 4.21Å
37E95.9Very high97.3Very high92 Ų9248 Ų4843%0.4323%0.23SC..  trans56.613.8177.3-82.6161.5-170.100116.4Y32 C33 K39 R108Y32-E37 WeakPolarHBondContact CD1-O 3.46Å; C33-E37 WeakPolarHBondContact O-CA 3.34Å; C33-E37 PolarHBondContact O-N 2.96Å; E37-K39 PolarHBondContact O-N 3.25Å; E37-R108 IonicContact OE1-CZ 3.97Å; E37-R108 IonicContact OE1-NE 3.61Å; E37-R108 PolarHBondContact OE1-NE 3.26Å; E37-R108 IonicContact OE1-NH2 3.78Å; E37-R108 PolarHBondContact OE1-NH2 2.82Å; E37-R108 IonicContact OE2-NE 3.92Å
38A96.7Very high97.4Very high35 Ų3544.8 Ų44.829%0.28922%0.215SC..  trans-57.5126.5168.900000111C33 C36 C53C33-A38 HydrophobicContact CB-CB 4.12Å; C33-A38 WeakPolarHBondContact CB-O 3.44Å; C33-A38 PolarHBondContact N-O 2.95Å; C36-A38 PolarHBondContact O-N 3.02Å; A38-C53 HydrophobicContact CB-CB 4.03Å
39K97Very high97.4Very high168 Ų16838.9 Ų38.973%0.7319%0.187SC*.BIsolated β-bridgetrans-62.2147.1-178.2-72.2178.1177.11790112.4Y32 E37Y32-K39 HydrophobicContact CD1-CG 3.83Å; Y32-K39 HydrophobicContact CE1-CD 4.23Å; Y32-K39 HydrophobicContact CE1-CG 3.54Å; E37-K39 PolarHBondContact O-N 3.25Å
40G96.1Very high97.6Very high38 Ų3837 Ų3739%0.39218%0.178SC..SBendtrans67.955.6171.800000114.8K31 R42K31-G40 PolarHBondContact O-N 3.26Å; G40-R42 PolarHBondContact O-N 3.09Å
41P97.6Very high97.6Very high0 Ų037 Ų370%018%0.178CC..  trans-57.1134.1174.427.4-35.4000110.9L25 N30 K31 F51 M52L25-P41 HydrophobicContact CD2-CG 4.07Å; L25-P41 WeakPolarHBondContact CD2-O 3.34Å; N30-P41 WeakPolarHBondContact O-CG 3.5Å; K31-P41 VanDerWaalsContact C-CD 3.49Å; K31-P41 VanDerWaalsContact O-CD 3.28Å; K31-P41 WeakPolarHBondContact O-CD 3.37Å; P41-F51 HydrophobicContact CB-CB 4.01Å; P41-F51 HydrophobicContact CG-CB 3.88Å; P41-M52 WeakPolarHBondContact CA-O 3.49Å; P41-M52 WeakPolarHBondContact CB-O 3.11Å
42R97.8Very high97.7Very high115 Ų11533.5 Ų33.543%0.43416%0.162SC..  trans-121.83.8179.5-63.4-63.684.4149.27.8112.7G40 M52 V73G40-R42 PolarHBondContact O-N 3.09Å; R42-M52 PolarHBondContact N-O 3Å; R42-V73 WeakPolarHBondContact O-CG2 3.5Å; R42-V73 PolarHBondContact O-N 3.26Å
43W98.6Very high97.7Very high37 Ų3729.9 Ų29.914%0.1415%0.15CC..EExtended strand (participates in β ladder)trans-124.2159.5176.2-65.682.2000108.6M52 I54 A57 V70 K71 S72W43-M52 HydrophobicContact CB-CG 4.01Å; W43-M52 PolarHBondContact N-O 3.12Å; W43-M52 VanDerWaalsContact N-O 3.12Å; W43-M52 PolarHBondContact O-N 3.18Å; W43-M52 VanDerWaalsContact O-O 3.07Å; W43-I54 HydrophobicContact CZ2-CD1 4.35Å; W43-I54 HydrophobicContact CZ2-CG1 4.47Å; W43-A57 HydrophobicContact CB-CB 3.63Å; W43-A57 HydrophobicContact CD2-CB 3.98Å; W43-A57 HydrophobicContact CE3-CB 4.31Å; W43-A57 HydrophobicContact CG-CB 3.68Å; W43-V70 HydrophobicContact CE3-CG1 3.87Å; W43-K71 CarbonylContact C-O 3.57Å; W43-K71 WeakPolarHBondContact CA-O 3.43Å; W43-K71 VanDerWaalsContact CE3-C 3.43Å; W43-S72 VanDerWaalsContact CE3-N 3.27Å
44A98.5Very high97.7Very high0 Ų035.6 Ų35.60%018%0.179CC..EExtended strand (participates in β ladder)trans-146.4154.317600000110.7V50 F51 V70 K71 V73 W78 M86A44-V50 CarbonylContact C-O 3.54Å; A44-V50 WeakPolarHBondContact CA-O 3.22Å; A44-V50 VanDerWaalsContact CB-O 3.31Å; A44-V50 WeakPolarHBondContact CB-O 3.35Å; A44-F51 HydrophobicContact CB-CD1 4.01Å; A44-F51 HydrophobicContact CB-CE1 4.37Å; A44-V70 CarbonylContact O-C 3.58Å; A44-V70 WeakPolarHBondContact O-CA 3.45Å; A44-K71 PolarHBondContact N-O 3.43Å; A44-K71 PolarHBondContact O-N 3.28Å; A44-V73 HydrophobicContact CB-CG2 4.45Å; A44-W78 HydrophobicContact CB-CH2 3.94Å; A44-W78 HydrophobicContact CB-CZ2 4.34Å; A44-M86 HydrophobicContact CB-CE 3.75Å; A44-M86 HydrophobicContact CB-SD 4Å
45S98.4Very high97.7Very high0 Ų038.3 Ų38.30%019%0.187CC..EExtended strand (participates in β ladder)trans-106.6104.9166.9-173.60000108.6N47 L48 G49 V50 S68 R69S45-N47 VanDerWaalsContact C-N 3.35Å; S45-N47 PolarHBondContact O-N 3.01Å; S45-N47 PolarHBondContact OG-OD1 2.89Å; S45-L48 CarbonylContact O-C 3.5Å; S45-L48 PolarHBondContact O-N 2.92Å; S45-L48 VanDerWaalsContact O-N 3.12Å; S45-G49 PolarHBondContact O-N 2.92Å; S45-V50 PolarHBondContact N-O 3.23Å; S45-V50 PolarHBondContact O-N 3.01Å; S45-S68 PolarHBondContact OG-OG 3.28Å; S45-R69 WeakPolarHBondContact CA-O 3.45Å; S45-R69 PolarHBondContact OG-N 3.48Å
46W98.1Very high97.7Very high54 Ų5438.3 Ų38.321%0.20519%0.187CC..THydrogen-bonded Turntrans-74-23.7-163.464.3-101.6000113.9L48 R69 W78 Q82 S85 M86W46-L48 VanDerWaalsContact C-N 3.35Å; W46-R69 HydrophobicContact CD2-CB 4.36Å; W46-R69 HydrophobicContact CZ2-CB 4.17Å; W46-R69 VanDerWaalsContact CZ2-CD 3.45Å; W46-R69 HydrophobicContact CZ2-CG 4.45Å; W46-R69 PolarHBondContact N-O 3.37Å; W46-R69 VanDerWaalsContact N-O 3.11Å; W46-W78 HydrophobicContact CB-CH2 3.94Å; W46-W78 HydrophobicContact CB-CZ3 3.6Å; W46-Q82 HydrophobicContact CB-CB 4.32Å; W46-Q82 HydrophobicContact CD2-CB 4.32Å; W46-Q82 HydrophobicContact CD2-CG 3.72Å; W46-Q82 HydrophobicContact CE3-CB 4.4Å; W46-Q82 HydrophobicContact CE3-CG 3.77Å; W46-Q82 HydrophobicContact CG-CB 4.31Å; W46-Q82 HydrophobicContact CG-CG 4.14Å; W46-Q82 HydrophobicContact CH2-CG 4.36Å; W46-Q82 HydrophobicContact CZ2-CG 4.35Å; W46-Q82 HydrophobicContact CZ3-CG 4.1Å; W46-S85 WeakPolarHBondContact O-CB 3.32Å; W46-S85 PolarHBondContact O-OG 3.22Å; W46-S85 VanDerWaalsContact O-OG 3.08Å; W46-M86 HydrophobicContact CB-SD 4.46Å
47N97.8Very high97.8Very high47 Ų4738.3 Ų38.325%0.25119%0.187SC..THydrogen-bonded Turntrans-84.9-11.5173.675.3-77.7000113.1S45 I67 S68 R69S45-N47 VanDerWaalsContact C-N 3.35Å; S45-N47 PolarHBondContact O-N 3.01Å; S45-N47 PolarHBondContact OG-OD1 2.89Å; N47-I67 PolarHBondContact ND2-O 3.12Å; N47-S68 WeakPolarHBondContact OD1-CA 3.33Å; N47-R69 WeakPolarHBondContact OD1-CB 3.45Å; N47-R69 WeakPolarHBondContact OD1-CG 3.46Å; N47-R69 PolarHBondContact OD1-N 3.25Å
48L97.6Very high97.9Very high11 Ų1135.2 Ų35.26%0.05818%0.18CC..THydrogen-bonded Turntrans-106.1-4.8174.8-61.3177.1000111.7S45 W46 V50 I67 Y98 Y123S45-L48 CarbonylContact O-C 3.5Å; S45-L48 PolarHBondContact O-N 2.92Å; S45-L48 VanDerWaalsContact O-N 3.12Å; W46-L48 VanDerWaalsContact C-N 3.35Å; L48-V50 VanDerWaalsContact C-N 3.26Å; L48-V50 HydrophobicContact CB-CG2 3.82Å; L48-V50 PolarHBondContact O-N 2.73Å; L48-I67 WeakPolarHBondContact CD2-O 3.5Å; L48-Y98 HydrophobicContact CD2-CE1 4.28Å; L48-Y98 WeakPolarHBondContact CD2-OH 3.46Å; L48-Y123 HydrophobicContact CD1-CD1 3.77Å; L48-Y123 HydrophobicContact CD1-CE1 4.04Å; L48-Y123 HydrophobicContact CD1-CG 4.15Å; L48-Y123 HydrophobicContact CD2-CD1 4.27Å
49G97.8Very high98Very high0 Ų034.2 Ų34.20%017%0.169CC..THydrogen-bonded Turntrans65.614.6177.400000116.5S45 M86 G90S45-G49 PolarHBondContact O-N 2.92Å; G49-M86 WeakPolarHBondContact O-CE 3.35Å; G49-G90 CarbonylContact O-C 3.48Å; G49-G90 VanDerWaalsContact O-CA 3.29Å; G49-G90 WeakPolarHBondContact O-CA 3.42Å; G49-G90 PolarHBondContact O-N 3.22Å; G49-G90 VanDerWaalsContact O-N 3.09Å
50V98.4Very high98.1Very high0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-108.5143.1-170.2-76.30000114.6A34 A44 S45 L48 M52 A94A34-V50 HydrophobicContact CB-CB 3.92Å; A34-V50 HydrophobicContact CB-CG1 3.95Å; A44-V50 CarbonylContact C-O 3.54Å; A44-V50 WeakPolarHBondContact CA-O 3.22Å; A44-V50 VanDerWaalsContact CB-O 3.31Å; A44-V50 WeakPolarHBondContact CB-O 3.35Å; S45-V50 PolarHBondContact N-O 3.23Å; S45-V50 PolarHBondContact O-N 3.01Å; L48-V50 VanDerWaalsContact C-N 3.26Å; L48-V50 HydrophobicContact CB-CG2 3.82Å; L48-V50 PolarHBondContact O-N 2.73Å; V50-M52 HydrophobicContact CG2-CE 3.78Å; V50-A94 HydrophobicContact CG1-CB 3.24Å
51F98.7Very high98.1Very high0 Ų031 Ų310%014%0.141CC..EExtended strand (participates in β ladder)trans-95.5131.4170.6-67.3-81.5000111.8L21 L24 L25 N30 A34 P41 A44 V73 M86 N91L21-F51 HydrophobicContact CD2-CE1 4.3Å; L21-F51 HydrophobicContact CD2-CZ 4.3Å; L24-F51 HydrophobicContact CB-CE2 3.84Å; L24-F51 HydrophobicContact CB-CZ 3.71Å; L24-F51 HydrophobicContact CD1-CE2 4.27Å; L24-F51 HydrophobicContact CD1-CZ 3.96Å; L25-F51 HydrophobicContact CD1-CE1 4.35Å; L25-F51 HydrophobicContact CD2-CB 4.37Å; L25-F51 HydrophobicContact CD2-CD1 3.58Å; L25-F51 HydrophobicContact CD2-CE1 3.89Å; L25-F51 HydrophobicContact CD2-CG 3.94Å; L25-F51 HydrophobicContact CD2-CZ 4.49Å; L25-F51 HydrophobicContact CG-CD1 4.08Å; L25-F51 HydrophobicContact CG-CE1 3.85Å; L25-F51 HydrophobicContact CG-CZ 4.3Å; N30-F51 HydrophobicContact CB-CD2 3.94Å; N30-F51 HydrophobicContact CB-CE2 4.31Å; N30-F51 WeakPolarHBondContact OD1-CD2 3.06Å; A34-F51 WeakPolarHBondContact CB-O 3.44Å; A34-F51 PolarHBondContact N-O 3.07Å; P41-F51 HydrophobicContact CB-CB 4.01Å; P41-F51 HydrophobicContact CG-CB 3.88Å; A44-F51 HydrophobicContact CB-CD1 4.01Å; A44-F51 HydrophobicContact CB-CE1 4.37Å; F51-V73 HydrophobicContact CD1-CG2 4.06Å; F51-V73 HydrophobicContact CE1-CG2 4Å; F51-M86 HydrophobicContact CD1-CE 3.98Å; F51-M86 HydrophobicContact CD2-CE 3.64Å; F51-M86 HydrophobicContact CE1-CE 3.77Å; F51-M86 HydrophobicContact CE2-CE 3.4Å; F51-M86 HydrophobicContact CG-CE 3.93Å; F51-M86 HydrophobicContact CZ-CE 3.47Å; F51-M86 VanDerWaalsContact CZ-CE 3.47Å; F51-N91 PolarHBondContact N-OD1 3.46Å; F51-N91 PolarHBondContact O-ND2 2.95Å
52M98.5Very high98.1Very high0 Ų036 Ų360%017%0.168CC..EExtended strand (participates in β ladder)trans-139.4160.1-171.660.1-177.258.100113.5P41 R42 W43 V50 C56 A57 H60P41-M52 WeakPolarHBondContact CA-O 3.49Å; P41-M52 WeakPolarHBondContact CB-O 3.11Å; R42-M52 PolarHBondContact N-O 3Å; W43-M52 HydrophobicContact CB-CG 4.01Å; W43-M52 PolarHBondContact N-O 3.12Å; W43-M52 VanDerWaalsContact N-O 3.12Å; W43-M52 PolarHBondContact O-N 3.18Å; W43-M52 VanDerWaalsContact O-O 3.07Å; V50-M52 HydrophobicContact CG2-CE 3.78Å; M52-C56 HydrophobicContact CB-CB 4.16Å; M52-A57 HydrophobicContact CG-CB 4.24Å; M52-A57 HydrophobicContact SD-CB 4.02Å; M52-H60 HydrophobicContact CE-CB 4.41Å; M52-H60 HydrophobicContact SD-CB 4.09Å
53C98.3Very high98.1Very high17 Ų1731 Ų3112%0.11515%0.15CC..  trans-80.5164.2173.172.20000111.4C33 C36 A38 R55 C56 A57C33-C53 HydrophobicContact CB-CB 4.1Å; C33-C53 PolarHBondContact SG-N 3.43Å; C33-C53 VanDerWaalsContact SG-SG 3.67Å; C36-C53 VanDerWaalsContact SG-SG 3.67Å; A38-C53 HydrophobicContact CB-CB 4.03Å; C53-R55 PolarHBondContact O-N 2.97Å; C53-C56 PolarHBondContact O-N 3.26Å; C53-C56 VanDerWaalsContact O-N 3.16Å; C53-A57 WeakPolarHBondContact O-CB 3.45Å; C53-A57 PolarHBondContact O-N 3.28Å
54I97.8Very high98Very high121 Ų12130.4 Ų30.462%0.62115%0.154SC*.Hα-helixtrans-58.3-32.3-177.4-168.9166.2000113.7W43 G58W43-I54 HydrophobicContact CZ2-CD1 4.35Å; W43-I54 HydrophobicContact CZ2-CG1 4.47Å; I54-G58 PolarHBondContact O-N 2.63Å; I54-G58 VanDerWaalsContact O-N 3.09Å
55R97.8Very high98Very high69 Ų6935.6 Ų35.626%0.2619%0.186SC..Hα-helixtrans-63.6-51.9174.9175.4172.562.9164.53111.8C53 A57 G58 I59 Q110 D112C53-R55 PolarHBondContact O-N 2.97Å; R55-A57 VanDerWaalsContact C-N 3.3Å; R55-A57 PolarHBondContact O-N 2.9Å; R55-G58 PolarHBondContact O-N 3.16Å; R55-G58 VanDerWaalsContact O-N 3.1Å; R55-I59 PolarHBondContact O-N 3.34Å; R55-Q110 PolarHBondContact NH1-O 2.71Å; R55-D112 VanDerWaalsContact CD-CG 3.43Å; R55-D112 VanDerWaalsContact CD-OD1 3.27Å; R55-D112 WeakPolarHBondContact CD-OD1 3.06Å; R55-D112 WeakPolarHBondContact CD-OD2 3.36Å; R55-D112 IonicContact CZ-OD1 2.71Å; R55-D112 IonicContact NE-OD1 3.5Å; R55-D112 IonicContact NH1-OD1 3.49Å; R55-D112 PolarHBondContact NH1-OD1 2.97Å
56C98.4Very high97.9Very high0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-67.6-34.3178.9-590000111.1C33 C36 M52 C53 G58 I59 H60 I119C33-C56 VanDerWaalsContact SG-SG 3.62Å; C36-C56 PolarHBondContact SG-SG 3.21Å; M52-C56 HydrophobicContact CB-CB 4.16Å; C53-C56 PolarHBondContact O-N 3.26Å; C53-C56 VanDerWaalsContact O-N 3.16Å; C56-G58 PolarHBondContact O-N 3.24Å; C56-I59 PolarHBondContact O-N 3.48Å; C56-I59 VanDerWaalsContact O-N 3.13Å; C56-H60 WeakPolarHBondContact O-CB 3.36Å; C56-H60 PolarHBondContact O-CD2 2.95Å; C56-H60 VanDerWaalsContact O-CD2 3.31Å; C56-H60 PolarHBondContact O-N 3.34Å; C56-I119 HydrophobicContact CB-CD1 3.98Å
57A98.4Very high97.9Very high1 Ų141.5 Ų41.51%0.00822%0.216CC..Hα-helixtrans-59.6-31.4171.200000113.4W43 M52 C53 R55 R61 V70W43-A57 HydrophobicContact CB-CB 3.63Å; W43-A57 HydrophobicContact CD2-CB 3.98Å; W43-A57 HydrophobicContact CE3-CB 4.31Å; W43-A57 HydrophobicContact CG-CB 3.68Å; M52-A57 HydrophobicContact CG-CB 4.24Å; M52-A57 HydrophobicContact SD-CB 4.02Å; C53-A57 WeakPolarHBondContact O-CB 3.45Å; C53-A57 PolarHBondContact O-N 3.28Å; R55-A57 VanDerWaalsContact C-N 3.3Å; R55-A57 PolarHBondContact O-N 2.9Å; A57-R61 WeakPolarHBondContact O-CG 3.33Å; A57-R61 PolarHBondContact O-N 2.99Å; A57-V70 HydrophobicContact CB-CG1 3.8Å
58G98.1Very high97.9Very high26 Ų2639.4 Ų39.427%0.26821%0.205SC..Hα-helixtrans-65.1-53.316900000112I54 R55 C56 H60 R61 N62I54-G58 PolarHBondContact O-N 2.63Å; I54-G58 VanDerWaalsContact O-N 3.09Å; R55-G58 PolarHBondContact O-N 3.16Å; R55-G58 VanDerWaalsContact O-N 3.1Å; C56-G58 PolarHBondContact O-N 3.24Å; G58-H60 VanDerWaalsContact C-N 3.31Å; G58-H60 PolarHBondContact O-N 3.38Å; G58-R61 WeakPolarHBondContact O-CB 3.42Å; G58-R61 PolarHBondContact O-N 3.33Å; G58-N62 PolarHBondContact O-N 2.84Å
59I98.2Very high97.9Very high14 Ų1444.3 Ų44.37%0.07222%0.223CC..Hα-helixtrans-58.9-41.7178.8-60.6168.5000111.3R55 C56 R61 N62 L63 V115 E116 I119R55-I59 PolarHBondContact O-N 3.34Å; C56-I59 PolarHBondContact O-N 3.48Å; C56-I59 VanDerWaalsContact O-N 3.13Å; I59-R61 PolarHBondContact O-N 2.95Å; I59-N62 WeakPolarHBondContact O-CA 3.24Å; I59-N62 WeakPolarHBondContact O-CB 3.29Å; I59-N62 PolarHBondContact O-N 2.86Å; I59-L63 PolarHBondContact O-N 2.99Å; I59-V115 HydrophobicContact CD1-CB 4.11Å; I59-V115 HydrophobicContact CD1-CG1 3.66Å; I59-E116 HydrophobicContact CD1-CB 4.2Å; I59-E116 HydrophobicContact CG1-CB 4.44Å; I59-E116 HydrophobicContact CG2-CB 4.01Å; I59-E116 HydrophobicContact CG2-CG 4.01Å; I59-I119 HydrophobicContact CB-CD1 4.15Å; I59-I119 HydrophobicContact CD1-CD1 4.14Å; I59-I119 HydrophobicContact CG2-CB 4.06Å; I59-I119 HydrophobicContact CG2-CD1 3.95Å; I59-I119 HydrophobicContact CG2-CG2 3.78Å
60H98.4Very high97.9Very high0 Ų045.6 Ų45.60%023%0.23CC..Hα-helixtrans-64.5-18.4177.3-91.2-98.9000114.2D35 M52 C56 G58 S68 V70 Y123D35-H60 IonicContact OD2-NE2 3.15Å; M52-H60 HydrophobicContact CE-CB 4.41Å; M52-H60 HydrophobicContact SD-CB 4.09Å; C56-H60 WeakPolarHBondContact O-CB 3.36Å; C56-H60 PolarHBondContact O-CD2 2.95Å; C56-H60 VanDerWaalsContact O-CD2 3.31Å; C56-H60 PolarHBondContact O-N 3.34Å; G58-H60 VanDerWaalsContact C-N 3.31Å; G58-H60 PolarHBondContact O-N 3.38Å; H60-S68 WeakPolarHBondContact CB-OG 3.41Å; H60-S68 PolarHBondContact ND1-OG 3.37Å; H60-S68 WeakPolarHBondContact O-CB 3.46Å; H60-V70 HydrophobicContact CB-CG2 3.49Å; H60-V70 VanDerWaalsContact CB-CG2 3.49Å; H60-Y123 AromaticContact CE1-CD2 3.44Å; H60-Y123 VanDerWaalsContact CE1-CD2 3.44Å; H60-Y123 WeakPolarHBondContact CE1-CD2 3.23Å; H60-Y123 AromaticContact CE1-CE2 3.23Å; H60-Y123 WeakPolarHBondContact CE1-CE2 3.44Å; H60-Y123 AromaticContact CE1-CZ 3.74Å; H60-Y123 AromaticContact NE2-CD2 3.72Å; H60-Y123 AromaticContact NE2-CE2 3.26Å; H60-Y123 VanDerWaalsContact NE2-CE2 3.26Å; H60-Y123 WeakPolarHBondContact NE2-CE2 3.3Å; H60-Y123 AromaticContact NE2-CZ 3.99Å
61R97.9Very high97.9Very high139 Ų13947.3 Ų47.353%0.52524%0.238SC..Hα-helixtrans-76-35.1168.8-69164.3176.7159.21111.4A57 G58 I59 L63 G64 V70A57-R61 WeakPolarHBondContact O-CG 3.33Å; A57-R61 PolarHBondContact O-N 2.99Å; G58-R61 WeakPolarHBondContact O-CB 3.42Å; G58-R61 PolarHBondContact O-N 3.33Å; I59-R61 PolarHBondContact O-N 2.95Å; R61-L63 PolarHBondContact O-N 3.44Å; R61-G64 PolarHBondContact O-N 3.04Å; R61-V70 HydrophobicContact CG-CB 4.43Å; R61-V70 HydrophobicContact CG-CG2 4.34Å
62N97.8Very high97.9Very high106 Ų10647.5 Ų47.557%0.56724%0.239SC*.Hα-helixtrans-69.1-15.4177.9-59-4.6000113.1G58 I59 G64G58-N62 PolarHBondContact O-N 2.84Å; I59-N62 WeakPolarHBondContact O-CA 3.24Å; I59-N62 WeakPolarHBondContact O-CB 3.29Å; I59-N62 PolarHBondContact O-N 2.86Å; N62-G64 VanDerWaalsContact C-N 3.35Å
63L96.9Very high97.8Very high10 Ų1047.5 Ų47.55%0.05224%0.239CC..THydrogen-bonded Turntrans-75.9-21.5168.8-56.1-179.5000113.1I59 R61 H66 I67 I119 R120I59-L63 PolarHBondContact O-N 2.99Å; R61-L63 PolarHBondContact O-N 3.44Å; L63-H66 PolarHBondContact O-CE1 2.83Å; L63-H66 VanDerWaalsContact O-CE1 3.28Å; L63-I67 HydrophobicContact CB-CB 4.1Å; L63-I67 HydrophobicContact CB-CD1 4.28Å; L63-I67 HydrophobicContact CB-CG2 4.32Å; L63-I67 HydrophobicContact CD1-CG2 4.06Å; L63-I119 HydrophobicContact CD1-CG2 3.81Å; L63-I119 HydrophobicContact CD2-CG2 4.37Å; L63-I119 HydrophobicContact CG-CG2 4.38Å; L63-R120 HydrophobicContact CD2-CG 3.77Å
64G97.1Very high97.6Very high23 Ų2351 Ų5124%0.23726%0.257CS..  trans78.8158.7-176.400000115.4R61 N62 H66 I67 S68R61-G64 PolarHBondContact O-N 3.04Å; N62-G64 VanDerWaalsContact C-N 3.35Å; G64-H66 PolarHBondContact O-N 2.91Å; G64-I67 PolarHBondContact O-N 3.04Å; G64-S68 PolarHBondContact O-N 3.09Å
65V97.3Very high97.5Very high109 Ų10952.3 Ų52.366%0.66126%0.264SS*.THydrogen-bonded Turntrans-68.4-3-170.4-59.60000115.9R69V65-R69 HydrophobicContact CB-CG 4.43Å; V65-R69 WeakPolarHBondContact O-CG 3.22Å; V65-R69 PolarHBondContact O-NE 2.93Å
66H96.8Very high97.5Very high154 Ų15452 Ų5271%0.71327%0.268SS*.THydrogen-bonded Turntrans-88.9-24.4174.168.1-75.2000112.1L63 G64L63-H66 PolarHBondContact O-CE1 2.83Å; L63-H66 VanDerWaalsContact O-CE1 3.28Å; G64-H66 PolarHBondContact O-N 2.91Å
67I97.1Very high97.3Very high24 Ų2459.8 Ų59.812%0.12330%0.304CS..THydrogen-bonded Turntrans-99.3-47.3172.7-54.1-179.9000110N47 L48 L63 G64 E124N47-I67 PolarHBondContact ND2-O 3.12Å; L48-I67 WeakPolarHBondContact CD2-O 3.5Å; L63-I67 HydrophobicContact CB-CB 4.1Å; L63-I67 HydrophobicContact CB-CD1 4.28Å; L63-I67 HydrophobicContact CB-CG2 4.32Å; L63-I67 HydrophobicContact CD1-CG2 4.06Å; G64-I67 PolarHBondContact O-N 3.04Å; I67-E124 HydrophobicContact CD1-CB 3.82Å; I67-E124 HydrophobicContact CD1-CG 3.83Å
68S98.2Very high97.2Very high3 Ų360.1 Ų60.12%0.02131%0.305CS..  trans-143.2130.5-168.5178.30000113.3S45 N47 H60 G64S45-S68 PolarHBondContact OG-OG 3.28Å; N47-S68 WeakPolarHBondContact OD1-CA 3.33Å; H60-S68 WeakPolarHBondContact CB-OG 3.41Å; H60-S68 PolarHBondContact ND1-OG 3.37Å; H60-S68 WeakPolarHBondContact O-CB 3.46Å; G64-S68 PolarHBondContact O-N 3.09Å
69R98.3Very high97.1Very high114 Ų11461.5 Ų61.543%0.4331%0.309SS..  trans-119.591.2-177.4-60.2-178.4179.6178.9-0.8109.5S45 W46 N47 V65S45-R69 WeakPolarHBondContact CA-O 3.45Å; S45-R69 PolarHBondContact OG-N 3.48Å; W46-R69 HydrophobicContact CD2-CB 4.36Å; W46-R69 HydrophobicContact CZ2-CB 4.17Å; W46-R69 VanDerWaalsContact CZ2-CD 3.45Å; W46-R69 HydrophobicContact CZ2-CG 4.45Å; W46-R69 PolarHBondContact N-O 3.37Å; W46-R69 VanDerWaalsContact N-O 3.11Å; N47-R69 WeakPolarHBondContact OD1-CB 3.45Å; N47-R69 WeakPolarHBondContact OD1-CG 3.46Å; N47-R69 PolarHBondContact OD1-N 3.25Å; V65-R69 HydrophobicContact CB-CG 4.43Å; V65-R69 WeakPolarHBondContact O-CG 3.22Å; V65-R69 PolarHBondContact O-NE 2.93Å
70V98.4Very high97.1Very high27 Ų2763.8 Ų63.816%0.16432%0.324CS..EExtended strand (participates in β ladder)trans-80.7134.5-172.2-1790000111.7W43 A44 A57 H60 R61W43-V70 HydrophobicContact CE3-CG1 3.87Å; A44-V70 CarbonylContact O-C 3.58Å; A44-V70 WeakPolarHBondContact O-CA 3.45Å; A57-V70 HydrophobicContact CB-CG1 3.8Å; H60-V70 HydrophobicContact CB-CG2 3.49Å; H60-V70 VanDerWaalsContact CB-CG2 3.49Å; R61-V70 HydrophobicContact CG-CB 4.43Å; R61-V70 HydrophobicContact CG-CG2 4.34Å
71K98.1Very high97Very high36 Ų3669.8 Ų69.816%0.15735%0.352CS..EExtended strand (participates in β ladder)trans-133.3152.1168.6-79.1-170.7171.6-172.30111.7W43 A44 D76 Q77 W78W43-K71 CarbonylContact C-O 3.57Å; W43-K71 WeakPolarHBondContact CA-O 3.43Å; W43-K71 VanDerWaalsContact CE3-C 3.43Å; A44-K71 PolarHBondContact N-O 3.43Å; A44-K71 PolarHBondContact O-N 3.28Å; K71-D76 WeakPolarHBondContact CA-OD2 3.4Å; K71-D76 HydrophobicContact CB-CB 4.15Å; K71-D76 HydrophobicContact CD-CB 4.11Å; K71-D76 HydrophobicContact CG-CB 4.15Å; K71-Q77 PolarHBondContact NZ-O 3.24Å; K71-W78 HydrophobicContact CB-CH2 4.17Å; K71-W78 HydrophobicContact CB-CZ2 3.58Å; K71-W78 HydrophobicContact CD-CD2 4.33Å; K71-W78 HydrophobicContact CD-CZ2 4.34Å
72S97.9Very high97Very high5 Ų564.2 Ų64.24%0.03533%0.332CS..EExtended strand (participates in β ladder)trans-70.9140.6162.6-175.80000109.2W43 N74 L75 D76 W78W43-S72 VanDerWaalsContact CE3-N 3.27Å; S72-N74 PolarHBondContact OG-N 2.75Å; S72-L75 WeakPolarHBondContact OG-CB 3.44Å; S72-L75 WeakPolarHBondContact OG-CG 3.34Å; S72-L75 PolarHBondContact OG-N 3Å; S72-D76 PolarHBondContact N-OD2 2.92Å; S72-W78 PolarHBondContact O-NE1 2.95Å
73V97.4Very high97Very high0 Ų059.5 Ų59.50%031%0.307CS..THydrogen-bonded Turntrans-65.8-43.8174.6177.50000110.4Q18 L21 L25 R42 A44 F51Q18-V73 PolarHBondContact NE2-O 3.45Å; Q18-V73 PolarHBondContact OE1-O 2.95Å; L21-V73 HydrophobicContact CB-CG1 3.72Å; L21-V73 HydrophobicContact CD1-CG1 4.03Å; L21-V73 HydrophobicContact CG-CG1 4.33Å; L25-V73 HydrophobicContact CD1-CB 4.47Å; L25-V73 HydrophobicContact CD1-CG1 3.8Å; L25-V73 HydrophobicContact CD1-CG2 4.32Å; R42-V73 WeakPolarHBondContact O-CG2 3.5Å; R42-V73 PolarHBondContact O-N 3.26Å; A44-V73 HydrophobicContact CB-CG2 4.45Å; F51-V73 HydrophobicContact CD1-CG2 4.06Å; F51-V73 HydrophobicContact CE1-CG2 4Å
74N94.2Very high97Very high91 Ų9163.7 Ų63.749%0.48733%0.326SS..THydrogen-bonded Turntrans-100.6-24.4-169.6-63.638.8000114.2S72S72-N74 PolarHBondContact OG-N 2.75Å
75L95.2Very high97.1Very high147 Ų14764.1 Ų64.177%0.7733%0.326SS*.THydrogen-bonded Turntrans-101.3-24.2-170.3-55.5175.1000114S72S72-L75 WeakPolarHBondContact OG-CB 3.44Å; S72-L75 WeakPolarHBondContact OG-CG 3.34Å; S72-L75 PolarHBondContact OG-N 3Å
76D96.4Very high97.1Very high64 Ų6459 Ų5934%0.34229%0.294SS..SBendtrans-93.7151.8178.7-75.6-57.1000111.5K71 S72K71-D76 WeakPolarHBondContact CA-OD2 3.4Å; K71-D76 HydrophobicContact CB-CB 4.15Å; K71-D76 HydrophobicContact CD-CB 4.11Å; K71-D76 HydrophobicContact CG-CB 4.15Å; S72-D76 PolarHBondContact N-OD2 2.92Å
77Q94.6Very high97.1Very high162 Ų16254.1 Ų54.176%0.75728%0.275SS*.  trans-77.6138.7167.7-69.4175.565.500110.1K71K71-Q77 PolarHBondContact NZ-O 3.24Å
78W97.1Very high97.1Very high9 Ų957.2 Ų57.23%0.03429%0.292CS..  trans-114.8140.1-179-72.874.8000111.2H17 L21 A44 W46 K71 S72 Q82 I83 M86H17-W78 HydrophobicContact CB-CB 4.5Å; H17-W78 PolarHBondContact CE1-O 3.42Å; H17-W78 VanDerWaalsContact CE1-O 3.26Å; H17-W78 PolarHBondContact ND1-O 3.12Å; L21-W78 HydrophobicContact CD1-CD2 3.9Å; L21-W78 HydrophobicContact CD1-CG 3.97Å; L21-W78 HydrophobicContact CD1-CZ2 4.44Å; L21-W78 HydrophobicContact CD2-CZ3 4.48Å; A44-W78 HydrophobicContact CB-CH2 3.94Å; A44-W78 HydrophobicContact CB-CZ2 4.34Å; W46-W78 HydrophobicContact CB-CH2 3.94Å; W46-W78 HydrophobicContact CB-CZ3 3.6Å; K71-W78 HydrophobicContact CB-CH2 4.17Å; K71-W78 HydrophobicContact CB-CZ2 3.58Å; K71-W78 HydrophobicContact CD-CD2 4.33Å; K71-W78 HydrophobicContact CD-CZ2 4.34Å; S72-W78 PolarHBondContact O-NE1 2.95Å; W78-Q82 HydrophobicContact CE3-CB 3.7Å; W78-Q82 HydrophobicContact CZ3-CB 4.13Å; W78-I83 HydrophobicContact CB-CD1 3.68Å; W78-I83 HydrophobicContact CB-CG1 4Å; W78-I83 HydrophobicContact CD2-CD1 4.01Å; W78-I83 HydrophobicContact CE3-CD1 3.84Å; W78-I83 HydrophobicContact CE3-CG1 4.5Å; W78-I83 HydrophobicContact CG-CD1 3.96Å; W78-M86 HydrophobicContact CH2-CG 4.06Å; W78-M86 HydrophobicContact CH2-SD 4.39Å; W78-M86 HydrophobicContact CZ3-CG 3.65Å; W78-M86 HydrophobicContact CZ3-SD 4.43Å
79T96.8Very high97Very high55 Ų5559 Ų5934%0.33730%0.301SS..  trans-92158.1171.374.50000110.7E81 Q82 I83T79-E81 WeakPolarHBondContact CB-OE2 3.28Å; T79-E81 PolarHBondContact O-N 2.76Å; T79-E81 PolarHBondContact OG1-OE2 3.42Å; T79-Q82 VanDerWaalsContact N-OE1 3.11Å; T79-Q82 WeakPolarHBondContact O-CB 3.44Å; T79-Q82 PolarHBondContact O-N 2.9Å; T79-Q82 VanDerWaalsContact O-N 3.07Å; T79-Q82 VanDerWaalsContact OG1-CG 3.27Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.38Å; T79-Q82 PolarHBondContact OG1-NE2 2.89Å; T79-I83 PolarHBondContact O-N 3.11Å; T79-I83 VanDerWaalsContact O-N 3.11Å
80P96.6Very high96.9Very high62 Ų6253.7 Ų53.740%0.40328%0.282SS..Hα-helixtrans-57.2-36.3-175.9-25.535.7000113.4Q82 I83 Q84P80-Q82 VanDerWaalsContact C-N 3.33Å; P80-Q82 PolarHBondContact O-N 2.79Å; P80-I83 PolarHBondContact O-N 2.71Å; P80-Q84 WeakPolarHBondContact O-CB 3.48Å; P80-Q84 PolarHBondContact O-N 2.91Å
81E96.9Very high96.9Very high125 Ų12552.7 Ų52.758%0.58428%0.275SS*.Hα-helixtrans-69.2-33.4-179.4-44.271.6-152.600111.4T79 Q84 S85T79-E81 WeakPolarHBondContact CB-OE2 3.28Å; T79-E81 PolarHBondContact O-N 2.76Å; T79-E81 PolarHBondContact OG1-OE2 3.42Å; E81-Q84 PolarHBondContact O-N 2.69Å; E81-S85 PolarHBondContact O-N 2.75Å
82Q97.9Very high96.8Very high23 Ų2353.6 Ų53.611%0.10728%0.284CS..Hα-helixtrans-73.3-35.5176.6-63.3162.36.700111.1W46 W78 T79 P80 M86W46-Q82 HydrophobicContact CB-CB 4.32Å; W46-Q82 HydrophobicContact CD2-CB 4.32Å; W46-Q82 HydrophobicContact CD2-CG 3.72Å; W46-Q82 HydrophobicContact CE3-CB 4.4Å; W46-Q82 HydrophobicContact CE3-CG 3.77Å; W46-Q82 HydrophobicContact CG-CB 4.31Å; W46-Q82 HydrophobicContact CG-CG 4.14Å; W46-Q82 HydrophobicContact CH2-CG 4.36Å; W46-Q82 HydrophobicContact CZ2-CG 4.35Å; W46-Q82 HydrophobicContact CZ3-CG 4.1Å; W78-Q82 HydrophobicContact CE3-CB 3.7Å; W78-Q82 HydrophobicContact CZ3-CB 4.13Å; T79-Q82 VanDerWaalsContact N-OE1 3.11Å; T79-Q82 WeakPolarHBondContact O-CB 3.44Å; T79-Q82 PolarHBondContact O-N 2.9Å; T79-Q82 VanDerWaalsContact O-N 3.07Å; T79-Q82 VanDerWaalsContact OG1-CG 3.27Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.38Å; T79-Q82 PolarHBondContact OG1-NE2 2.89Å; P80-Q82 VanDerWaalsContact C-N 3.33Å; P80-Q82 PolarHBondContact O-N 2.79Å; Q82-M86 WeakPolarHBondContact O-CG 3.49Å; Q82-M86 PolarHBondContact O-N 3.23Å
83I98.1Very high96.6Very high7 Ų759.2 Ų59.24%0.03631%0.305CS..Hα-helixtrans-66.9-45.8171-62.1-65.3000110.5H17 I20 L21 W78 T79 P80 S85 M86 V87H17-I83 HydrophobicContact CB-CD1 3.8Å; H17-I83 HydrophobicContact CB-CG1 3.9Å; I20-I83 HydrophobicContact CB-CG2 4.07Å; I20-I83 HydrophobicContact CD1-CG2 3.95Å; I20-I83 HydrophobicContact CG2-CG2 3.61Å; L21-I83 HydrophobicContact CD1-CD1 3.61Å; L21-I83 HydrophobicContact CD2-CD1 3.91Å; L21-I83 HydrophobicContact CG-CD1 3.61Å; W78-I83 HydrophobicContact CB-CD1 3.68Å; W78-I83 HydrophobicContact CB-CG1 4Å; W78-I83 HydrophobicContact CD2-CD1 4.01Å; W78-I83 HydrophobicContact CE3-CD1 3.84Å; W78-I83 HydrophobicContact CE3-CG1 4.5Å; W78-I83 HydrophobicContact CG-CD1 3.96Å; T79-I83 PolarHBondContact O-N 3.11Å; T79-I83 VanDerWaalsContact O-N 3.11Å; P80-I83 PolarHBondContact O-N 2.71Å; I83-S85 VanDerWaalsContact C-N 3.34Å; I83-S85 PolarHBondContact O-N 2.71Å; I83-M86 WeakPolarHBondContact O-CB 3.43Å; I83-M86 PolarHBondContact O-N 3.41Å; I83-M86 VanDerWaalsContact O-N 3.09Å; I83-V87 WeakPolarHBondContact O-CG2 3.33Å; I83-V87 PolarHBondContact O-N 2.96Å
84Q97.6Very high96.6Very high98 Ų9859.3 Ų59.346%0.45831%0.305SS..Hα-helixtrans-58-45.9178.9-171.655.943.800111.1P80 E81 M86 V87 D88P80-Q84 WeakPolarHBondContact O-CB 3.48Å; P80-Q84 PolarHBondContact O-N 2.91Å; E81-Q84 PolarHBondContact O-N 2.69Å; Q84-M86 VanDerWaalsContact C-N 3.28Å; Q84-M86 PolarHBondContact O-N 3.26Å; Q84-V87 CarbonylContact O-C 3.57Å; Q84-V87 WeakPolarHBondContact O-CA 3.44Å; Q84-V87 WeakPolarHBondContact O-CB 3.5Å; Q84-V87 PolarHBondContact O-N 3.01Å; Q84-D88 WeakPolarHBondContact CG-OD2 3.5Å; Q84-D88 PolarHBondContact NE2-OD1 2.99Å; Q84-D88 PolarHBondContact NE2-OD2 2.63Å; Q84-D88 WeakPolarHBondContact O-CB 3.32Å; Q84-D88 PolarHBondContact O-N 3.1Å
85S97.8Very high96.6Very high32 Ų3259.6 Ų59.622%0.22430%0.299CS..Hα-helixtrans-62.1-30.7176.2-164.80000114.1W46 E81 I83 M89W46-S85 WeakPolarHBondContact O-CB 3.32Å; W46-S85 PolarHBondContact O-OG 3.22Å; W46-S85 VanDerWaalsContact O-OG 3.08Å; E81-S85 PolarHBondContact O-N 2.75Å; I83-S85 VanDerWaalsContact C-N 3.34Å; I83-S85 PolarHBondContact O-N 2.71Å; S85-M89 PolarHBondContact O-N 3.36Å
86M98.2Very high96.6Very high0 Ų058.8 Ų58.80%029%0.292CS..Hα-helixtrans-73.4-28.8172.1-65.9-58.6-53.600113.1L21 L24 A44 W46 G49 F51 W78 Q82 I83 Q84 G90L21-M86 HydrophobicContact CD2-CB 4.46Å; L21-M86 HydrophobicContact CD2-CG 4.38Å; L24-M86 HydrophobicContact CD1-CB 3.89Å; A44-M86 HydrophobicContact CB-CE 3.75Å; A44-M86 HydrophobicContact CB-SD 4Å; W46-M86 HydrophobicContact CB-SD 4.46Å; G49-M86 WeakPolarHBondContact O-CE 3.35Å; F51-M86 HydrophobicContact CD1-CE 3.98Å; F51-M86 HydrophobicContact CD2-CE 3.64Å; F51-M86 HydrophobicContact CE1-CE 3.77Å; F51-M86 HydrophobicContact CE2-CE 3.4Å; F51-M86 HydrophobicContact CG-CE 3.93Å; F51-M86 HydrophobicContact CZ-CE 3.47Å; F51-M86 VanDerWaalsContact CZ-CE 3.47Å; W78-M86 HydrophobicContact CH2-CG 4.06Å; W78-M86 HydrophobicContact CH2-SD 4.39Å; W78-M86 HydrophobicContact CZ3-CG 3.65Å; W78-M86 HydrophobicContact CZ3-SD 4.43Å; Q82-M86 WeakPolarHBondContact O-CG 3.49Å; Q82-M86 PolarHBondContact O-N 3.23Å; I83-M86 WeakPolarHBondContact O-CB 3.43Å; I83-M86 PolarHBondContact O-N 3.41Å; I83-M86 VanDerWaalsContact O-N 3.09Å; Q84-M86 VanDerWaalsContact C-N 3.28Å; Q84-M86 PolarHBondContact O-N 3.26Å; M86-G90 PolarHBondContact O-N 3.03Å
87V97.4Very high96.5Very high52 Ų5256.6 Ų56.632%0.31528%0.28SS..Hα-helixtrans-76.8-35.5173.6174.60000111.4I20 L24 I83 Q84 R93I20-V87 HydrophobicContact CG2-CG2 3.81Å; L24-V87 HydrophobicContact CD1-CG2 3.99Å; L24-V87 HydrophobicContact CD2-CG2 4.31Å; I83-V87 WeakPolarHBondContact O-CG2 3.33Å; I83-V87 PolarHBondContact O-N 2.96Å; Q84-V87 CarbonylContact O-C 3.57Å; Q84-V87 WeakPolarHBondContact O-CA 3.44Å; Q84-V87 WeakPolarHBondContact O-CB 3.5Å; Q84-V87 PolarHBondContact O-N 3.01Å; V87-R93 PolarHBondContact O-NH1 2.62Å
88D95.8Very high96.5Very high89 Ų8949.7 Ų49.748%0.47625%0.247SC..Hα-helixtrans-81.3-16.4-176.7-67.5-26.8000113.7Q84 R93Q84-D88 WeakPolarHBondContact CG-OD2 3.5Å; Q84-D88 PolarHBondContact NE2-OD1 2.99Å; Q84-D88 PolarHBondContact NE2-OD2 2.63Å; Q84-D88 WeakPolarHBondContact O-CB 3.32Å; Q84-D88 PolarHBondContact O-N 3.1Å; D88-R93 VanDerWaalsContact O-CD 3.31Å; D88-R93 WeakPolarHBondContact O-CD 3.43Å; D88-R93 PolarHBondContact O-NH1 2.81Å
89M95.9Very high96.4Very high41 Ų4150 Ų5020%0.20225%0.249CC..SBendtrans-112.4-81.2169-119.1171.5-69.700112.3S85 R93 L97 Y98S85-M89 PolarHBondContact O-N 3.36Å; M89-R93 HydrophobicContact CG-CB 4.29Å; M89-R93 WeakPolarHBondContact O-CB 3.15Å; M89-R93 WeakPolarHBondContact O-CG 3.39Å; M89-R93 PolarHBondContact O-NH1 3.13Å; M89-L97 HydrophobicContact SD-CD2 4.42Å; M89-Y98 HydrophobicContact SD-CE2 4.08Å
90G96.7Very high96.2Very high3 Ų349.6 Ų49.63%0.03125%0.251CS..Hα-helixtrans66.3170.2-165.600000112.7G49 M86 T92 A94G49-G90 CarbonylContact O-C 3.48Å; G49-G90 VanDerWaalsContact O-CA 3.29Å; G49-G90 WeakPolarHBondContact O-CA 3.42Å; G49-G90 PolarHBondContact O-N 3.22Å; G49-G90 VanDerWaalsContact O-N 3.09Å; M86-G90 PolarHBondContact O-N 3.03Å; G90-T92 VanDerWaalsContact C-N 3.25Å; G90-T92 PolarHBondContact O-N 3.03Å; G90-A94 VanDerWaalsContact O-CB 3.24Å; G90-A94 WeakPolarHBondContact O-CB 3.25Å; G90-A94 PolarHBondContact O-N 2.86Å
91N97.8Very high96Very high5 Ų552.4 Ų52.43%0.02726%0.258CS..Hα-helixtrans-64.5-28.9-178-72.80.4000112.9D29 N30 Y32 F51 R95D29-N91 HydrophobicContact CB-CB 3.9Å; D29-N91 WeakPolarHBondContact O-CB 3.4Å; D29-N91 PolarHBondContact O-ND2 2.92Å; N30-N91 VanDerWaalsContact OD1-CB 3.25Å; N30-N91 WeakPolarHBondContact OD1-CB 2.99Å; N30-N91 PolarHBondContact OD1-N 2.87Å; Y32-N91 PolarHBondContact O-ND2 3.36Å; F51-N91 PolarHBondContact N-OD1 3.46Å; F51-N91 PolarHBondContact O-ND2 2.95Å; N91-R95 WeakPolarHBondContact O-CB 3.47Å; N91-R95 PolarHBondContact O-N 3.18Å
92T96Very high95.8Very high55 Ų5548 Ų4834%0.33724%0.239SC..Hα-helixtrans-61.7-56.4178.4-50.10000111.9D29 G90 A94 R95 Q96D29-T92 WeakPolarHBondContact CB-OG1 3.41Å; D29-T92 WeakPolarHBondContact OD2-CA 3.41Å; D29-T92 VanDerWaalsContact OD2-CB 3.32Å; D29-T92 WeakPolarHBondContact OD2-CB 3.48Å; D29-T92 WeakPolarHBondContact OD2-CG2 3.36Å; D29-T92 PolarHBondContact OD2-OG1 3.14Å; G90-T92 VanDerWaalsContact C-N 3.25Å; G90-T92 PolarHBondContact O-N 3.03Å; T92-A94 VanDerWaalsContact C-N 3.34Å; T92-R95 PolarHBondContact O-N 3.47Å; T92-Q96 WeakPolarHBondContact O-CG 3.48Å; T92-Q96 PolarHBondContact O-N 2.94Å
93R95.5Very high95.5Very high124 Ų12450.2 Ų50.247%0.46826%0.255SS..Hα-helixtrans-71.2-32.6179.1-56.1-174.7-170105.7-9.3111.4V87 D88 M89 R95 Q96 L97V87-R93 PolarHBondContact O-NH1 2.62Å; D88-R93 VanDerWaalsContact O-CD 3.31Å; D88-R93 WeakPolarHBondContact O-CD 3.43Å; D88-R93 PolarHBondContact O-NH1 2.81Å; M89-R93 HydrophobicContact CG-CB 4.29Å; M89-R93 WeakPolarHBondContact O-CB 3.15Å; M89-R93 WeakPolarHBondContact O-CG 3.39Å; M89-R93 PolarHBondContact O-NH1 3.13Å; R93-R95 VanDerWaalsContact C-N 3.35Å; R93-R95 PolarHBondContact O-N 3.21Å; R93-Q96 WeakPolarHBondContact O-CB 3.07Å; R93-Q96 PolarHBondContact O-N 2.85Å; R93-L97 WeakPolarHBondContact O-CB 3.39Å; R93-L97 PolarHBondContact O-N 2.86Å
94A96.1Very high95Very high2 Ų259.3 Ų59.32%0.01730%0.298CS..Hα-helixtrans-64.9-35.3174.200000112.8V50 G90 T92 L97 Y98V50-A94 HydrophobicContact CG1-CB 3.24Å; G90-A94 VanDerWaalsContact O-CB 3.24Å; G90-A94 WeakPolarHBondContact O-CB 3.25Å; G90-A94 PolarHBondContact O-N 2.86Å; T92-A94 VanDerWaalsContact C-N 3.34Å; A94-L97 PolarHBondContact O-N 2.94Å; A94-Y98 HydrophobicContact CB-CD2 3.98Å; A94-Y98 HydrophobicContact CB-CE2 4.28Å; A94-Y98 WeakPolarHBondContact O-CB 3.41Å; A94-Y98 WeakPolarHBondContact O-CD2 3.23Å; A94-Y98 PolarHBondContact O-N 3.32Å
95R94.9Very high94.7Very high96 Ų9659.9 Ų59.936%0.36231%0.312SS..Hα-helixtrans-62.9-48.1170.6-170.5-177.2-58.61240.6110.7D29 N91 T92 R93 L97 E99D29-R95 VanDerWaalsContact CG-NH1 3.33Å; D29-R95 IonicContact OD1-CZ 3.99Å; D29-R95 IonicContact OD1-NH1 2.92Å; D29-R95 PolarHBondContact OD1-NH1 3.42Å; D29-R95 IonicContact OD1-NH2 3.28Å; D29-R95 PolarHBondContact OD1-NH2 3.38Å; D29-R95 IonicContact OD2-NH1 2.73Å; N91-R95 WeakPolarHBondContact O-CB 3.47Å; N91-R95 PolarHBondContact O-N 3.18Å; T92-R95 PolarHBondContact O-N 3.47Å; R93-R95 VanDerWaalsContact C-N 3.35Å; R93-R95 PolarHBondContact O-N 3.21Å; R95-L97 PolarHBondContact O-N 3.48Å; R95-L97 VanDerWaalsContact O-N 3.16Å; R95-E99 HydrophobicContact CG-CB 4.2Å; R95-E99 CarbonylContact O-C 3.57Å; R95-E99 WeakPolarHBondContact O-CA 3.45Å; R95-E99 WeakPolarHBondContact O-CB 3.31Å; R95-E99 PolarHBondContact O-N 3.04Å
96Q94.3Very high94.4Very high130 Ų13061.7 Ų61.761%0.60732%0.316SS*.Hα-helixtrans-60.3-22.3177.3-67.6170.1-21.100113.9T92 R93 A100T92-Q96 WeakPolarHBondContact O-CG 3.48Å; T92-Q96 PolarHBondContact O-N 2.94Å; R93-Q96 WeakPolarHBondContact O-CB 3.07Å; R93-Q96 PolarHBondContact O-N 2.85Å; Q96-A100 WeakPolarHBondContact O-CB 3.37Å
97L94.3Very high94.1Very high19 Ų1972.6 Ų72.610%0.09936%0.357CS..Hα-helixtrans-103.9-46-176.9-17961.1000114M89 R93 A94 R95 Y129 D130 A133 L134M89-L97 HydrophobicContact SD-CD2 4.42Å; R93-L97 WeakPolarHBondContact O-CB 3.39Å; R93-L97 PolarHBondContact O-N 2.86Å; A94-L97 PolarHBondContact O-N 2.94Å; R95-L97 PolarHBondContact O-N 3.48Å; R95-L97 VanDerWaalsContact O-N 3.16Å; L97-Y129 HydrophobicContact CD1-CE1 4.16Å; L97-Y129 HydrophobicContact CD1-CE2 3.99Å; L97-Y129 HydrophobicContact CD2-CE2 4.15Å; L97-Y129 HydrophobicContact CG-CD2 4.37Å; L97-Y129 HydrophobicContact CG-CE2 3.66Å; L97-Y129 CarbonylContact O-C 3.49Å; L97-Y129 WeakPolarHBondContact O-CA 3.33Å; L97-Y129 WeakPolarHBondContact O-CD2 3.45Å; L97-D130 WeakPolarHBondContact CD1-O 3.15Å; L97-D130 PolarHBondContact O-N 2.99Å; L97-A133 HydrophobicContact CD1-CB 4.25Å; L97-L134 HydrophobicContact CD1-CD2 4.34Å; L97-L134 HydrophobicContact CD1-CG 4.14Å; L97-L134 HydrophobicContact CD2-CD2 4.29Å
98Y95.6Very high93.9Very high16 Ų1671.8 Ų71.86%0.06335%0.349CS..Hα-helixtrans-94-11.6-175.9-63.4-85.3000113.7L48 M89 A94 Y123 Y129L48-Y98 HydrophobicContact CD2-CE1 4.28Å; L48-Y98 WeakPolarHBondContact CD2-OH 3.46Å; M89-Y98 HydrophobicContact SD-CE2 4.08Å; A94-Y98 HydrophobicContact CB-CD2 3.98Å; A94-Y98 HydrophobicContact CB-CE2 4.28Å; A94-Y98 WeakPolarHBondContact O-CB 3.41Å; A94-Y98 WeakPolarHBondContact O-CD2 3.23Å; A94-Y98 PolarHBondContact O-N 3.32Å; Y98-Y123 AromaticContact CD1-CD1 3.53Å; Y98-Y123 HydrophobicContact CD1-CD1 3.53Å; Y98-Y123 AromaticContact CD1-CE1 3.76Å; Y98-Y123 HydrophobicContact CD1-CE1 3.76Å; Y98-Y123 HydrophobicContact CD2-CE1 4.14Å; Y98-Y123 AromaticContact CE1-CD1 3.59Å; Y98-Y123 HydrophobicContact CE1-CD1 3.59Å; Y98-Y123 AromaticContact CE1-CE1 3.99Å; Y98-Y123 HydrophobicContact CE1-CE1 3.99Å; Y98-Y123 HydrophobicContact CE2-CE1 4.36Å; Y98-Y123 HydrophobicContact CG-CD1 4.13Å; Y98-Y123 AromaticContact CG-CE1 3.87Å; Y98-Y123 HydrophobicContact CG-CE1 3.87Å; Y98-Y129 AromaticContact CD1-CD2 3.58Å; Y98-Y129 HydrophobicContact CD1-CD2 3.58Å; Y98-Y129 AromaticContact CD1-CE2 3.55Å; Y98-Y129 HydrophobicContact CD1-CE2 3.55Å; Y98-Y129 AromaticContact CE1-CD2 3.98Å; Y98-Y129 HydrophobicContact CE1-CD2 3.98Å; Y98-Y129 AromaticContact CE1-CE2 3.49Å; Y98-Y129 HydrophobicContact CE1-CE2 3.49Å; Y98-Y129 VanDerWaalsContact CE1-CE2 3.49Å; Y98-Y129 HydrophobicContact CG-CD2 4.21Å; Y98-Y129 HydrophobicContact CG-CE2 4.22Å
99E94.9Very high93.7Very high17 Ų1768.4 Ų68.48%0.07933%0.332CS..SBendtrans-12815-177.7-55.6-175.3164.700112.3R95 H101 L102 R108 K122R95-E99 HydrophobicContact CG-CB 4.2Å; R95-E99 CarbonylContact O-C 3.57Å; R95-E99 WeakPolarHBondContact O-CA 3.45Å; R95-E99 WeakPolarHBondContact O-CB 3.31Å; R95-E99 PolarHBondContact O-N 3.04Å; E99-H101 VanDerWaalsContact C-N 3.33Å; E99-H101 PolarHBondContact O-N 3Å; E99-L102 HydrophobicContact CB-CB 4.06Å; E99-L102 HydrophobicContact CB-CD2 3.95Å; E99-L102 HydrophobicContact CG-CD2 4.13Å; E99-L102 WeakPolarHBondContact O-CB 3.11Å; E99-L102 PolarHBondContact O-N 2.87Å; E99-L102 VanDerWaalsContact O-N 3.1Å; E99-R108 IonicContact OE1-CZ 2.63Å; E99-R108 IonicContact OE1-NH1 2.71Å; E99-R108 PolarHBondContact OE1-NH1 2.84Å; E99-R108 IonicContact OE1-NH2 2.75Å; E99-R108 PolarHBondContact OE1-NH2 3.44Å; E99-R108 IonicContact OE2-CZ 2.69Å; E99-R108 IonicContact OE2-NH1 3.53Å; E99-R108 PolarHBondContact OE2-NH1 3.48Å; E99-R108 IonicContact OE2-NH2 3.19Å; E99-R108 PolarHBondContact OE2-NH2 2.72Å; E99-K122 HydrophobicContact CG-CD 4.25Å; E99-K122 VanDerWaalsContact OE1-CE 3.23Å; E99-K122 WeakPolarHBondContact OE1-CE 3.26Å; E99-K122 IonicContact OE1-NZ 3.44Å; E99-K122 PolarHBondContact OE1-NZ 2.92Å
100A92.9Very high93.5Very high45 Ų4571.9 Ų71.937%0.37235%0.348SS..THydrogen-bonded Turntrans-57.7-41.6-179.300000113.6Q96 Y128 D130Q96-A100 WeakPolarHBondContact O-CB 3.37Å; A100-Y128 PolarHBondContact N-O 2.82Å; A100-D130 HydrophobicContact CB-CB 3.71Å
101H91.9Very high93.4Very high121 Ų12176.4 Ų76.456%0.5638%0.375SS*.THydrogen-bonded Turntrans-100.122.3178.9-60.5111.1000112.1E99 Y128 Y129E99-H101 VanDerWaalsContact C-N 3.33Å; E99-H101 PolarHBondContact O-N 3Å; H101-Y128 PolarHBondContact N-O 3.21Å; H101-Y129 PolarHBondContact ND1-O 2.77Å
102L92.7Very high93.2Very high34 Ų3480.5 Ų80.518%0.17840%0.397CS..  trans-80.6129174.9-167.865.6000109.3E99 E104 F106 F118 Y128E99-L102 HydrophobicContact CB-CB 4.06Å; E99-L102 HydrophobicContact CB-CD2 3.95Å; E99-L102 HydrophobicContact CG-CD2 4.13Å; E99-L102 WeakPolarHBondContact O-CB 3.11Å; E99-L102 PolarHBondContact O-N 2.87Å; E99-L102 VanDerWaalsContact O-N 3.1Å; L102-E104 PolarHBondContact O-N 2.72Å; L102-F106 HydrophobicContact CD1-CB 4.21Å; L102-F106 HydrophobicContact CD1-CD1 3.82Å; L102-F106 HydrophobicContact CD1-CD2 4.14Å; L102-F106 HydrophobicContact CD1-CE1 4.18Å; L102-F106 HydrophobicContact CD1-CE2 4.49Å; L102-F106 HydrophobicContact CD1-CG 3.79Å; L102-F106 HydrophobicContact CD2-CD1 3.74Å; L102-F106 HydrophobicContact CD2-CE1 4.24Å; L102-F106 HydrophobicContact CD2-CG 4.36Å; L102-F106 HydrophobicContact CG-CB 4.09Å; L102-F106 HydrophobicContact CG-CD1 3.96Å; L102-F106 HydrophobicContact CG-CG 4.07Å; L102-F118 HydrophobicContact CD1-CE2 4.04Å; L102-F118 HydrophobicContact CD2-CE2 4.45Å; L102-F118 HydrophobicContact CD2-CZ 4.44Å; L102-Y128 HydrophobicContact CB-CD1 4.49Å; L102-Y128 HydrophobicContact CB-CG 4.36Å; L102-Y128 HydrophobicContact CD1-CD1 3.74Å; L102-Y128 HydrophobicContact CD1-CD2 3.8Å; L102-Y128 HydrophobicContact CD1-CE1 3.82Å; L102-Y128 HydrophobicContact CD1-CE2 3.88Å; L102-Y128 HydrophobicContact CD1-CG 3.73Å
103P91.8Very high93.2Very high69 Ų6985.8 Ų85.845%0.44842%0.417SS..  trans-63.3137.3-179.9-23.133.9000112.3S105 F106P103-S105 PolarHBondContact O-N 3.28Å; P103-S105 VanDerWaalsContact O-N 3.08Å; P103-F106 WeakPolarHBondContact O-CB 3.5Å; P103-F106 PolarHBondContact O-N 2.97Å
104E87.8Confident93.2Very high198 Ų19881.7 Ų81.793%0.92541%0.41SS*.THydrogen-bonded Turntrans-58.2-24.7177.2-16962.1-150.200113.1L102 F106L102-E104 PolarHBondContact O-N 2.72Å; E104-F106 VanDerWaalsContact C-N 3.29Å; E104-F106 PolarHBondContact O-N 3.05Å
105S89.7Confident93.3Very high110 Ų11081.6 Ų81.677%0.76941%0.409SS*.THydrogen-bonded Turntrans-80.2-3.1174.158.10000114.4P103 R107P103-S105 PolarHBondContact O-N 3.28Å; P103-S105 VanDerWaalsContact O-N 3.08Å; S105-R107 PolarHBondContact O-N 3.01Å
106F92.8Very high93.4Very high69 Ų6979.6 Ų79.630%0.30340%0.404SS..PPolyproline II helixtrans-71.4120.3-178.8-179.2-96.6000111.4L102 P103 E104 R108 F118L102-F106 HydrophobicContact CD1-CB 4.21Å; L102-F106 HydrophobicContact CD1-CD1 3.82Å; L102-F106 HydrophobicContact CD1-CD2 4.14Å; L102-F106 HydrophobicContact CD1-CE1 4.18Å; L102-F106 HydrophobicContact CD1-CE2 4.49Å; L102-F106 HydrophobicContact CD1-CG 3.79Å; L102-F106 HydrophobicContact CD2-CD1 3.74Å; L102-F106 HydrophobicContact CD2-CE1 4.24Å; L102-F106 HydrophobicContact CD2-CG 4.36Å; L102-F106 HydrophobicContact CG-CB 4.09Å; L102-F106 HydrophobicContact CG-CD1 3.96Å; L102-F106 HydrophobicContact CG-CG 4.07Å; P103-F106 WeakPolarHBondContact O-CB 3.5Å; P103-F106 PolarHBondContact O-N 2.97Å; E104-F106 VanDerWaalsContact C-N 3.29Å; E104-F106 PolarHBondContact O-N 3.05Å; F106-R108 HydrophobicContact CE1-CG 4.32Å; F106-F118 AromaticContact CE1-CD2 3.89Å; F106-F118 HydrophobicContact CE1-CD2 3.89Å; F106-F118 AromaticContact CE1-CE2 3.55Å; F106-F118 HydrophobicContact CE1-CE2 3.55Å; F106-F118 AromaticContact CE1-CZ 3.98Å; F106-F118 HydrophobicContact CE1-CZ 3.98Å; F106-F118 HydrophobicContact CE2-CD2 4.27Å; F106-F118 HydrophobicContact CE2-CE2 4.47Å; F106-F118 AromaticContact CZ-CD2 3.39Å; F106-F118 HydrophobicContact CZ-CD2 3.39Å; F106-F118 AromaticContact CZ-CE2 3.53Å; F106-F118 HydrophobicContact CZ-CE2 3.53Å; F106-F118 HydrophobicContact CZ-CG 4.1Å; F106-F118 HydrophobicContact CZ-CZ 4.33Å
107R91.6Very high93.5Very high229 Ų22977.3 Ų77.386%0.86440%0.399SS*.PPolyproline II helixtrans-93.1128.4168-70.2-161.2172.9-163.2-0.7110.7S105S105-R107 PolarHBondContact O-N 3.01Å
108R92.4Very high93.7Very high35 Ų3576.7 Ų76.713%0.13240%0.395CS..PPolyproline II helixtrans-57.4132.6175.2-69.8-169.5-170.5-80.6-6.2111.3A34 D35 E37 E99 F106A34-R108 PolarHBondContact O-NH1 3.08Å; D35-R108 WeakPolarHBondContact O-CD 3.46Å; D35-R108 PolarHBondContact O-NH1 3.5Å; E37-R108 IonicContact OE1-CZ 3.97Å; E37-R108 IonicContact OE1-NE 3.61Å; E37-R108 PolarHBondContact OE1-NE 3.26Å; E37-R108 IonicContact OE1-NH2 3.78Å; E37-R108 PolarHBondContact OE1-NH2 2.82Å; E37-R108 IonicContact OE2-NE 3.92Å; E99-R108 IonicContact OE1-CZ 2.63Å; E99-R108 IonicContact OE1-NH1 2.71Å; E99-R108 PolarHBondContact OE1-NH1 2.84Å; E99-R108 IonicContact OE1-NH2 2.75Å; E99-R108 PolarHBondContact OE1-NH2 3.44Å; E99-R108 IonicContact OE2-CZ 2.69Å; E99-R108 IonicContact OE2-NH1 3.53Å; E99-R108 PolarHBondContact OE2-NH1 3.48Å; E99-R108 IonicContact OE2-NH2 3.19Å; E99-R108 PolarHBondContact OE2-NH2 2.72Å; F106-R108 HydrophobicContact CE1-CG 4.32Å
109P91.9Very high93.8Very high19 Ų1976 Ų7612%0.12339%0.392CS..PPolyproline II helixtrans-65147176.926.7-34.3000111.4A114 V115 F118P109-A114 HydrophobicContact CB-CB 3.49Å; P109-A114 VanDerWaalsContact CB-CB 3.49Å; P109-A114 HydrophobicContact CG-CB 4.46Å; P109-A114 WeakPolarHBondContact CG-O 3.48Å; P109-V115 HydrophobicContact CB-CG2 4.05Å; P109-V115 HydrophobicContact CG-CB 4.4Å; P109-V115 HydrophobicContact CG-CG2 3.94Å; P109-V115 VanDerWaalsContact O-CG2 3.27Å; P109-V115 WeakPolarHBondContact O-CG2 3.37Å; P109-F118 HydrophobicContact CG-CB 3.8Å; P109-F118 HydrophobicContact CG-CD1 4.39Å; P109-F118 HydrophobicContact CG-CG 4.23Å
110Q90.8Very high94Very high114 Ų11478.2 Ų78.253%0.53340%0.4SS..  trans-114.6-18177.4-68-59.5-26.100113.8C36 R55C36-Q110 PolarHBondContact O-NE2 2.57Å; R55-Q110 PolarHBondContact NH1-O 2.71Å
111T95.2Very high94.1Very high98 Ų9877 Ų7760%0.60139%0.387SS*.SBendtrans-87.6138.7173.552.50000110.9Q113 A114 V115T111-Q113 VanDerWaalsContact C-N 3.32Å; T111-Q113 PolarHBondContact O-N 3.49Å; T111-A114 PolarHBondContact O-N 3.5Å; T111-A114 WeakPolarHBondContact OG1-CB 3.28Å; T111-V115 WeakPolarHBondContact O-CG2 3.23Å; T111-V115 PolarHBondContact O-N 2.75Å
112D93.3Very high94.4Very high91 Ų9171.4 Ų71.449%0.48736%0.361SS..Hα-helixtrans-56.9-40.8-168.9-68.433.7000113.4R55 A114 V115 E116R55-D112 VanDerWaalsContact CD-CG 3.43Å; R55-D112 VanDerWaalsContact CD-OD1 3.27Å; R55-D112 WeakPolarHBondContact CD-OD1 3.06Å; R55-D112 WeakPolarHBondContact CD-OD2 3.36Å; R55-D112 IonicContact CZ-OD1 2.71Å; R55-D112 IonicContact NE-OD1 3.5Å; R55-D112 IonicContact NH1-OD1 3.49Å; R55-D112 PolarHBondContact NH1-OD1 2.97Å; D112-A114 PolarHBondContact O-N 3.39Å; D112-V115 PolarHBondContact O-N 3.19Å; D112-E116 WeakPolarHBondContact O-CB 3.41Å; D112-E116 PolarHBondContact O-N 2.96Å
113Q95.7Very high94.6Very high165 Ų16570.1 Ų70.177%0.77135%0.354SS*.Hα-helixtrans-61.6-42.5175.2-67.4179.4-6.100112.7T111 E116 V117T111-Q113 VanDerWaalsContact C-N 3.32Å; T111-Q113 PolarHBondContact O-N 3.49Å; Q113-E116 PolarHBondContact O-N 2.96Å; Q113-V117 WeakPolarHBondContact O-CG2 3.47Å; Q113-V117 PolarHBondContact O-N 3.42Å
114A96.6Very high94.8Very high38 Ų3871.1 Ų71.131%0.31435%0.353SS..Hα-helixtrans-74.1-32.718000000111.5P109 T111 D112 V117 F118P109-A114 HydrophobicContact CB-CB 3.49Å; P109-A114 VanDerWaalsContact CB-CB 3.49Å; P109-A114 HydrophobicContact CG-CB 4.46Å; P109-A114 WeakPolarHBondContact CG-O 3.48Å; T111-A114 PolarHBondContact O-N 3.5Å; T111-A114 WeakPolarHBondContact OG1-CB 3.28Å; D112-A114 PolarHBondContact O-N 3.39Å; A114-V117 PolarHBondContact O-N 2.82Å; A114-F118 WeakPolarHBondContact O-CB 3.18Å; A114-F118 PolarHBondContact O-N 3.36Å
115V97.6Very high95.1Very high0 Ų068.3 Ų68.30%033%0.334CS..Hα-helixtrans-63.7-40.8169.6178.70000110.6C36 I59 P109 T111 D112 F118 I119C36-V115 HydrophobicContact CB-CG1 4.41Å; C36-V115 HydrophobicContact CB-CG2 4.21Å; I59-V115 HydrophobicContact CD1-CB 4.11Å; I59-V115 HydrophobicContact CD1-CG1 3.66Å; P109-V115 HydrophobicContact CB-CG2 4.05Å; P109-V115 HydrophobicContact CG-CB 4.4Å; P109-V115 HydrophobicContact CG-CG2 3.94Å; P109-V115 VanDerWaalsContact O-CG2 3.27Å; P109-V115 WeakPolarHBondContact O-CG2 3.37Å; T111-V115 WeakPolarHBondContact O-CG2 3.23Å; T111-V115 PolarHBondContact O-N 2.75Å; D112-V115 PolarHBondContact O-N 3.19Å; V115-F118 PolarHBondContact O-N 2.7Å; V115-I119 HydrophobicContact CG1-CD1 3.67Å; V115-I119 HydrophobicContact CG1-CG1 4.33Å; V115-I119 WeakPolarHBondContact O-CB 3.17Å; V115-I119 VanDerWaalsContact O-CG1 3.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.24Å; V115-I119 PolarHBondContact O-N 2.71Å
116E97.4Very high95.4Very high54 Ų5468 Ų6825%0.25232%0.319SS..Hα-helixtrans-64.5-43.5175.9176.6170.2-175.600112.7I59 D112 Q113 I119 R120I59-E116 HydrophobicContact CD1-CB 4.2Å; I59-E116 HydrophobicContact CG1-CB 4.44Å; I59-E116 HydrophobicContact CG2-CB 4.01Å; I59-E116 HydrophobicContact CG2-CG 4.01Å; D112-E116 WeakPolarHBondContact O-CB 3.41Å; D112-E116 PolarHBondContact O-N 2.96Å; Q113-E116 PolarHBondContact O-N 2.96Å; E116-I119 PolarHBondContact O-N 2.86Å; E116-R120 VanDerWaalsContact CD-NH1 3.32Å; E116-R120 VanDerWaalsContact CG-NH1 3.31Å; E116-R120 PolarHBondContact O-N 2.82Å; E116-R120 IonicContact OE1-CZ 3.52Å; E116-R120 IonicContact OE1-NH1 3.56Å; E116-R120 PolarHBondContact OE1-NH1 2.81Å; E116-R120 IonicContact OE1-NH2 2.77Å; E116-R120 PolarHBondContact OE1-NH2 2.85Å
117V97.4Very high95.4Very high82 Ų8270.4 Ų70.450%0.49733%0.329SS..Hα-helixtrans-62-44.6174.3172.70000111.3Q113 A114 R120 D121Q113-V117 WeakPolarHBondContact O-CG2 3.47Å; Q113-V117 PolarHBondContact O-N 3.42Å; A114-V117 PolarHBondContact O-N 2.82Å; V117-R120 PolarHBondContact O-N 2.99Å; V117-D121 PolarHBondContact O-N 3.38Å
118F97.6Very high95.5Very high7 Ų760.6 Ų60.63%0.03129%0.292CS..Hα-helixtrans-63.5-43.7177.6174-112.4000112.8D35 L102 F106 P109 A114 V115 R120 D121 K122 Y128D35-F118 HydrophobicContact CB-CE1 4.47Å; D35-F118 WeakPolarHBondContact O-CE1 3.37Å; L102-F118 HydrophobicContact CD1-CE2 4.04Å; L102-F118 HydrophobicContact CD2-CE2 4.45Å; L102-F118 HydrophobicContact CD2-CZ 4.44Å; F106-F118 AromaticContact CE1-CD2 3.89Å; F106-F118 HydrophobicContact CE1-CD2 3.89Å; F106-F118 AromaticContact CE1-CE2 3.55Å; F106-F118 HydrophobicContact CE1-CE2 3.55Å; F106-F118 AromaticContact CE1-CZ 3.98Å; F106-F118 HydrophobicContact CE1-CZ 3.98Å; F106-F118 HydrophobicContact CE2-CD2 4.27Å; F106-F118 HydrophobicContact CE2-CE2 4.47Å; F106-F118 AromaticContact CZ-CD2 3.39Å; F106-F118 HydrophobicContact CZ-CD2 3.39Å; F106-F118 AromaticContact CZ-CE2 3.53Å; F106-F118 HydrophobicContact CZ-CE2 3.53Å; F106-F118 HydrophobicContact CZ-CG 4.1Å; F106-F118 HydrophobicContact CZ-CZ 4.33Å; P109-F118 HydrophobicContact CG-CB 3.8Å; P109-F118 HydrophobicContact CG-CD1 4.39Å; P109-F118 HydrophobicContact CG-CG 4.23Å; A114-F118 WeakPolarHBondContact O-CB 3.18Å; A114-F118 PolarHBondContact O-N 3.36Å; V115-F118 PolarHBondContact O-N 2.7Å; F118-R120 VanDerWaalsContact C-N 3.35Å; F118-R120 PolarHBondContact O-N 3.28Å; F118-D121 PolarHBondContact O-N 2.71Å; F118-K122 HydrophobicContact CE1-CD 4.01Å; F118-K122 HydrophobicContact CZ-CD 3.94Å; F118-K122 VanDerWaalsContact O-CB 3.24Å; F118-K122 WeakPolarHBondContact O-CB 3.33Å; F118-K122 PolarHBondContact O-N 3.48Å; F118-Y128 HydrophobicContact CD2-CE2 4.16Å; F118-Y128 HydrophobicContact CE2-CD2 4.35Å; F118-Y128 HydrophobicContact CE2-CE2 4Å
119I98.1Very high95.4Very high0 Ų060.1 Ų60.10%029%0.29CS..Hα-helixtrans-63.5-39.3178-76174000111.1D35 C56 I59 L63 V115 E116 K122 Y123D35-I119 HydrophobicContact CB-CD1 3.85Å; D35-I119 HydrophobicContact CB-CG1 3.84Å; C56-I119 HydrophobicContact CB-CD1 3.98Å; I59-I119 HydrophobicContact CB-CD1 4.15Å; I59-I119 HydrophobicContact CD1-CD1 4.14Å; I59-I119 HydrophobicContact CG2-CB 4.06Å; I59-I119 HydrophobicContact CG2-CD1 3.95Å; I59-I119 HydrophobicContact CG2-CG2 3.78Å; L63-I119 HydrophobicContact CD1-CG2 3.81Å; L63-I119 HydrophobicContact CD2-CG2 4.37Å; L63-I119 HydrophobicContact CG-CG2 4.38Å; V115-I119 HydrophobicContact CG1-CD1 3.67Å; V115-I119 HydrophobicContact CG1-CG1 4.33Å; V115-I119 WeakPolarHBondContact O-CB 3.17Å; V115-I119 VanDerWaalsContact O-CG1 3.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.24Å; V115-I119 PolarHBondContact O-N 2.71Å; E116-I119 PolarHBondContact O-N 2.86Å; I119-K122 PolarHBondContact O-N 2.86Å; I119-Y123 HydrophobicContact CG2-CD2 4.01Å; I119-Y123 HydrophobicContact CG2-CE2 4.38Å; I119-Y123 WeakPolarHBondContact O-CD2 3.28Å; I119-Y123 PolarHBondContact O-N 3.46Å
120R97.8Very high95.2Very high65 Ų6561 Ų6125%0.24530%0.295CS..Iπ-helixtrans-64-48.4170.3-75.7-168.3176.5100.814.1112.4L63 E116 V117 F118 K122 E124 R125L63-R120 HydrophobicContact CD2-CG 3.77Å; E116-R120 VanDerWaalsContact CD-NH1 3.32Å; E116-R120 VanDerWaalsContact CG-NH1 3.31Å; E116-R120 PolarHBondContact O-N 2.82Å; E116-R120 IonicContact OE1-CZ 3.52Å; E116-R120 IonicContact OE1-NH1 3.56Å; E116-R120 PolarHBondContact OE1-NH1 2.81Å; E116-R120 IonicContact OE1-NH2 2.77Å; E116-R120 PolarHBondContact OE1-NH2 2.85Å; V117-R120 PolarHBondContact O-N 2.99Å; F118-R120 VanDerWaalsContact C-N 3.35Å; F118-R120 PolarHBondContact O-N 3.28Å; R120-K122 PolarHBondContact O-N 3.24Å; R120-E124 WeakPolarHBondContact CB-OE2 3.35Å; R120-E124 WeakPolarHBondContact CD-OE2 3.5Å; R120-E124 WeakPolarHBondContact CG-OE2 3.42Å; R120-E124 IonicContact NE-OE2 2.72Å; R120-E124 WeakPolarHBondContact O-CA 3.33Å; R120-E124 WeakPolarHBondContact O-CB 3.48Å; R120-E124 PolarHBondContact O-N 3.12Å; R120-R125 PolarHBondContact O-N 3.35Å
121D96.9Very high94.6Very high19 Ų1962.9 Ų62.910%0.10230%0.303CS..Iπ-helixtrans-55.3-40.9176.6-90.913.6000112.2V117 F118 R125 K126 K127 Y128V117-D121 PolarHBondContact O-N 3.38Å; F118-D121 PolarHBondContact O-N 2.71Å; D121-R125 IonicContact OD1-CZ 2.81Å; D121-R125 IonicContact OD1-NE 3.69Å; D121-R125 IonicContact OD1-NH1 2.69Å; D121-R125 PolarHBondContact OD1-NH1 3.27Å; D121-K126 PolarHBondContact O-N 3.05Å; D121-K127 HydrophobicContact CB-CB 4.36Å; D121-K127 HydrophobicContact CB-CD 4.04Å; D121-K127 VanDerWaalsContact O-CB 3.28Å; D121-K127 WeakPolarHBondContact O-CB 3.46Å; D121-K127 PolarHBondContact O-N 3.31Å; D121-K127 WeakPolarHBondContact OD2-CD 3.38Å; D121-K127 IonicContact OD2-NZ 3.53Å; D121-K127 PolarHBondContact OD2-NZ 3.45Å; D121-Y128 HydrophobicContact CB-CE2 3.93Å; D121-Y128 PolarHBondContact OD2-OH 3.21Å
122K96.4Very high93.6Very high3 Ų365.8 Ų65.81%0.01331%0.31CS..Iπ-helixtrans-73.8-49.8-176.2-177174.9172.1-175.30113.9A34 D35 E99 F118 I119 R120A34-K122 PolarHBondContact O-NZ 2.92Å; D35-K122 IonicContact OD1-NZ 2.72Å; D35-K122 PolarHBondContact OD1-NZ 3.02Å; E99-K122 HydrophobicContact CG-CD 4.25Å; E99-K122 VanDerWaalsContact OE1-CE 3.23Å; E99-K122 WeakPolarHBondContact OE1-CE 3.26Å; E99-K122 IonicContact OE1-NZ 3.44Å; E99-K122 PolarHBondContact OE1-NZ 2.92Å; F118-K122 HydrophobicContact CE1-CD 4.01Å; F118-K122 HydrophobicContact CZ-CD 3.94Å; F118-K122 VanDerWaalsContact O-CB 3.24Å; F118-K122 WeakPolarHBondContact O-CB 3.33Å; F118-K122 PolarHBondContact O-N 3.48Å; I119-K122 PolarHBondContact O-N 2.86Å; R120-K122 PolarHBondContact O-N 3.24Å
123Y97.1Very high92.5Very high7 Ų763.3 Ų63.33%0.02730%0.302CS..Iπ-helixtrans-106.4-34.8-170.8-57-75.2000114.9D35 L48 H60 Y98 I119D35-Y123 VanDerWaalsContact OD1-CE2 3.23Å; D35-Y123 WeakPolarHBondContact OD1-CE2 3.48Å; D35-Y123 PolarHBondContact OD1-OH 3.4Å; L48-Y123 HydrophobicContact CD1-CD1 3.77Å; L48-Y123 HydrophobicContact CD1-CE1 4.04Å; L48-Y123 HydrophobicContact CD1-CG 4.15Å; L48-Y123 HydrophobicContact CD2-CD1 4.27Å; H60-Y123 AromaticContact CE1-CD2 3.44Å; H60-Y123 VanDerWaalsContact CE1-CD2 3.44Å; H60-Y123 WeakPolarHBondContact CE1-CD2 3.23Å; H60-Y123 AromaticContact CE1-CE2 3.23Å; H60-Y123 WeakPolarHBondContact CE1-CE2 3.44Å; H60-Y123 AromaticContact CE1-CZ 3.74Å; H60-Y123 AromaticContact NE2-CD2 3.72Å; H60-Y123 AromaticContact NE2-CE2 3.26Å; H60-Y123 VanDerWaalsContact NE2-CE2 3.26Å; H60-Y123 WeakPolarHBondContact NE2-CE2 3.3Å; H60-Y123 AromaticContact NE2-CZ 3.99Å; Y98-Y123 AromaticContact CD1-CD1 3.53Å; Y98-Y123 HydrophobicContact CD1-CD1 3.53Å; Y98-Y123 AromaticContact CD1-CE1 3.76Å; Y98-Y123 HydrophobicContact CD1-CE1 3.76Å; Y98-Y123 HydrophobicContact CD2-CE1 4.14Å; Y98-Y123 AromaticContact CE1-CD1 3.59Å; Y98-Y123 HydrophobicContact CE1-CD1 3.59Å; Y98-Y123 AromaticContact CE1-CE1 3.99Å; Y98-Y123 HydrophobicContact CE1-CE1 3.99Å; Y98-Y123 HydrophobicContact CE2-CE1 4.36Å; Y98-Y123 HydrophobicContact CG-CD1 4.13Å; Y98-Y123 AromaticContact CG-CE1 3.87Å; Y98-Y123 HydrophobicContact CG-CE1 3.87Å; I119-Y123 HydrophobicContact CG2-CD2 4.01Å; I119-Y123 HydrophobicContact CG2-CE2 4.38Å; I119-Y123 WeakPolarHBondContact O-CD2 3.28Å; I119-Y123 PolarHBondContact O-N 3.46Å
124E95.8Very high91.2Very high91 Ų9159.5 Ų59.543%0.42529%0.286SS..Iπ-helixtrans-84.4-51.9180176.6-174.3-146.200110.5I67 R120I67-E124 HydrophobicContact CD1-CB 3.82Å; I67-E124 HydrophobicContact CD1-CG 3.83Å; R120-E124 WeakPolarHBondContact CB-OE2 3.35Å; R120-E124 WeakPolarHBondContact CD-OE2 3.5Å; R120-E124 WeakPolarHBondContact CG-OE2 3.42Å; R120-E124 IonicContact NE-OE2 2.72Å; R120-E124 WeakPolarHBondContact O-CA 3.33Å; R120-E124 WeakPolarHBondContact O-CB 3.48Å; R120-E124 PolarHBondContact O-N 3.12Å
125R95.8Very high89.6Confident138 Ų13859.7 Ų59.752%0.52129%0.288SS..SBendtrans-87-12.5-179.1-52.9-174.4-175.410113.3114R120 D121 K127R120-R125 PolarHBondContact O-N 3.35Å; D121-R125 IonicContact OD1-CZ 2.81Å; D121-R125 IonicContact OD1-NE 3.69Å; D121-R125 IonicContact OD1-NH1 2.69Å; D121-R125 PolarHBondContact OD1-NH1 3.27Å; R125-K127 PolarHBondContact O-N 3.22Å; R125-K127 VanDerWaalsContact O-N 3.13Å
126K94.4Very high87.9Confident104 Ų10462.6 Ų62.645%0.45231%0.312SS..  trans51.133.4-179.4-63.3-169.9179.1-1720114.1D121 Y128 Y129D121-K126 PolarHBondContact O-N 3.05Å; K126-Y128 VanDerWaalsContact C-N 3.28Å; K126-Y128 PolarHBondContact O-N 3.03Å; K126-Y129 HydrophobicContact CB-CG 4.12Å; K126-Y129 HydrophobicContact CD-CD1 4.28Å; K126-Y129 HydrophobicContact CD-CD2 4.47Å; K126-Y129 HydrophobicContact CD-CE1 4.49Å; K126-Y129 HydrophobicContact CD-CG 4.27Å; K126-Y129 HydrophobicContact CG-CD2 4.49Å; K126-Y129 HydrophobicContact CG-CG 4.4Å; K126-Y129 WeakPolarHBondContact O-CB 3.14Å; K126-Y129 PolarHBondContact O-N 3.35Å; K126-Y129 VanDerWaalsContact O-N 3.14Å
127K94.2Very high86.1Confident119 Ų11962.7 Ų62.752%0.51732%0.322SS..THydrogen-bonded Turntrans-63.1-28.4-169.1-178.3179.4165.3-172.90114.7D121 R125D121-K127 HydrophobicContact CB-CB 4.36Å; D121-K127 HydrophobicContact CB-CD 4.04Å; D121-K127 VanDerWaalsContact O-CB 3.28Å; D121-K127 WeakPolarHBondContact O-CB 3.46Å; D121-K127 PolarHBondContact O-N 3.31Å; D121-K127 WeakPolarHBondContact OD2-CD 3.38Å; D121-K127 IonicContact OD2-NZ 3.53Å; D121-K127 PolarHBondContact OD2-NZ 3.45Å; R125-K127 PolarHBondContact O-N 3.22Å; R125-K127 VanDerWaalsContact O-N 3.13Å
128Y92.5Very high84.3Confident23 Ų2362.2 Ų62.29%0.0932%0.322CS..THydrogen-bonded Turntrans-112.911.8-179.4-43.7-67.9000112.5A100 H101 L102 F118 D121 K126A100-Y128 PolarHBondContact N-O 2.82Å; H101-Y128 PolarHBondContact N-O 3.21Å; L102-Y128 HydrophobicContact CB-CD1 4.49Å; L102-Y128 HydrophobicContact CB-CG 4.36Å; L102-Y128 HydrophobicContact CD1-CD1 3.74Å; L102-Y128 HydrophobicContact CD1-CD2 3.8Å; L102-Y128 HydrophobicContact CD1-CE1 3.82Å; L102-Y128 HydrophobicContact CD1-CE2 3.88Å; L102-Y128 HydrophobicContact CD1-CG 3.73Å; F118-Y128 HydrophobicContact CD2-CE2 4.16Å; F118-Y128 HydrophobicContact CE2-CD2 4.35Å; F118-Y128 HydrophobicContact CE2-CE2 4Å; D121-Y128 HydrophobicContact CB-CE2 3.93Å; D121-Y128 PolarHBondContact OD2-OH 3.21Å; K126-Y128 VanDerWaalsContact C-N 3.28Å; K126-Y128 PolarHBondContact O-N 3.03Å
129Y91.9Very high82.3Confident25 Ų2569 Ų6910%0.09835%0.352CS..  trans-77.1144.7-169.5-164.9-101.6000111.8L97 Y98 H101 K126 Q131 L134L97-Y129 HydrophobicContact CD1-CE1 4.16Å; L97-Y129 HydrophobicContact CD1-CE2 3.99Å; L97-Y129 HydrophobicContact CD2-CE2 4.15Å; L97-Y129 HydrophobicContact CG-CD2 4.37Å; L97-Y129 HydrophobicContact CG-CE2 3.66Å; L97-Y129 CarbonylContact O-C 3.49Å; L97-Y129 WeakPolarHBondContact O-CA 3.33Å; L97-Y129 WeakPolarHBondContact O-CD2 3.45Å; Y98-Y129 AromaticContact CD1-CD2 3.58Å; Y98-Y129 HydrophobicContact CD1-CD2 3.58Å; Y98-Y129 AromaticContact CD1-CE2 3.55Å; Y98-Y129 HydrophobicContact CD1-CE2 3.55Å; Y98-Y129 AromaticContact CE1-CD2 3.98Å; Y98-Y129 HydrophobicContact CE1-CD2 3.98Å; Y98-Y129 AromaticContact CE1-CE2 3.49Å; Y98-Y129 HydrophobicContact CE1-CE2 3.49Å; Y98-Y129 VanDerWaalsContact CE1-CE2 3.49Å; Y98-Y129 HydrophobicContact CG-CD2 4.21Å; Y98-Y129 HydrophobicContact CG-CE2 4.22Å; H101-Y129 PolarHBondContact ND1-O 2.77Å; K126-Y129 HydrophobicContact CB-CG 4.12Å; K126-Y129 HydrophobicContact CD-CD1 4.28Å; K126-Y129 HydrophobicContact CD-CD2 4.47Å; K126-Y129 HydrophobicContact CD-CE1 4.49Å; K126-Y129 HydrophobicContact CD-CG 4.27Å; K126-Y129 HydrophobicContact CG-CD2 4.49Å; K126-Y129 HydrophobicContact CG-CG 4.4Å; K126-Y129 WeakPolarHBondContact O-CB 3.14Å; K126-Y129 PolarHBondContact O-N 3.35Å; K126-Y129 VanDerWaalsContact O-N 3.14Å; Y129-Q131 HydrophobicContact CD1-CB 4.43Å; Y129-L134 HydrophobicContact CE1-CD1 4.34Å; Y129-L134 HydrophobicContact CE1-CG 4.46Å; Y129-L134 WeakPolarHBondContact OH-CD1 3.37Å
130D86.6Confident80.2Confident39 Ų3972.1 Ų72.121%0.20938%0.378CS..  trans-90.2101.4166.3-167.7-14.4000110.5L97 A100 E132 A133L97-D130 WeakPolarHBondContact CD1-O 3.15Å; L97-D130 PolarHBondContact O-N 2.99Å; A100-D130 HydrophobicContact CB-CB 3.71Å; D130-E132 VanDerWaalsContact C-N 3.35Å; D130-E132 WeakPolarHBondContact OD1-CA 3.43Å; D130-E132 WeakPolarHBondContact OD1-CB 3.45Å; D130-E132 PolarHBondContact OD1-N 3.28Å; D130-A133 HydrophobicContact CB-CB 3.84Å; D130-A133 VanDerWaalsContact CG-CB 3.44Å; D130-A133 VanDerWaalsContact CG-N 3.35Å; D130-A133 PolarHBondContact OD1-N 2.96Å; D130-A133 WeakPolarHBondContact OD2-CB 3.41Å
131Q78.8Confident78Confident153 Ų15377 Ų7772%0.71540%0.403SS*.Hα-helixtrans-79-20.5174.9-169.4162.1-60.900112.4Y129 A135Y129-Q131 HydrophobicContact CD1-CB 4.43Å; Q131-A135 WeakPolarHBondContact O-CB 3.39Å; Q131-A135 PolarHBondContact O-N 3.26Å
132E73.8Confident75.7Confident159 Ų15980.4 Ų80.474%0.74343%0.434SS*.Hα-helixtrans-79.1-36.2176.5-58.7-161.8170.400111.3D130 L134 A135 A136D130-E132 VanDerWaalsContact C-N 3.35Å; D130-E132 WeakPolarHBondContact OD1-CA 3.43Å; D130-E132 WeakPolarHBondContact OD1-CB 3.45Å; D130-E132 PolarHBondContact OD1-N 3.28Å; E132-L134 PolarHBondContact O-N 3.38Å; E132-A135 CarbonylContact O-C 3.59Å; E132-A135 PolarHBondContact O-N 3.26Å; E132-A135 VanDerWaalsContact O-N 3.12Å; E132-A136 VanDerWaalsContact O-CB 3.28Å; E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 3.46Å
133A70.6Confident73.3Confident38 Ų3883.8 Ų83.831%0.31446%0.462SS..Hα-helixtrans-55.8-46.2173.800000112.9L97 D130 A136 A137L97-A133 HydrophobicContact CD1-CB 4.25Å; D130-A133 HydrophobicContact CB-CB 3.84Å; D130-A133 VanDerWaalsContact CG-CB 3.44Å; D130-A133 VanDerWaalsContact CG-N 3.35Å; D130-A133 PolarHBondContact OD1-N 2.96Å; D130-A133 WeakPolarHBondContact OD2-CB 3.41Å; A133-A136 PolarHBondContact O-N 2.89Å; A133-A137 WeakPolarHBondContact O-CB 3.41Å; A133-A137 PolarHBondContact O-N 3.39Å
134L67.8Low70.6Confident86 Ų8686.8 Ų86.845%0.4549%0.488SS..Hα-helixtrans-69.1-37.7174-79.3-157.9000112.8L97 Y129 E132 A136 A137 S138L97-L134 HydrophobicContact CD1-CD2 4.34Å; L97-L134 HydrophobicContact CD1-CG 4.14Å; L97-L134 HydrophobicContact CD2-CD2 4.29Å; Y129-L134 HydrophobicContact CE1-CD1 4.34Å; Y129-L134 HydrophobicContact CE1-CG 4.46Å; Y129-L134 WeakPolarHBondContact OH-CD1 3.37Å; E132-L134 PolarHBondContact O-N 3.38Å; L134-A136 VanDerWaalsContact C-N 3.29Å; L134-A136 PolarHBondContact O-N 2.99Å; L134-A137 PolarHBondContact O-N 3.5Å; L134-S138 WeakPolarHBondContact O-CB 3.34Å; L134-S138 PolarHBondContact O-N 3.02Å; L134-S138 PolarHBondContact O-OG 2.88Å
135A63.4Low68.1Low42 Ų4287.5 Ų87.535%0.34750%0.501SS..Hα-helixtrans-66.1-33.5177.100000111.8Q131 E132 S138 K139Q131-A135 WeakPolarHBondContact O-CB 3.39Å; Q131-A135 PolarHBondContact O-N 3.26Å; E132-A135 CarbonylContact O-C 3.59Å; E132-A135 PolarHBondContact O-N 3.26Å; E132-A135 VanDerWaalsContact O-N 3.12Å; A135-S138 PolarHBondContact O-OG 3.39Å; A135-K139 WeakPolarHBondContact O-CB 3.47Å; A135-K139 WeakPolarHBondContact O-CG 3.37Å; A135-K139 PolarHBondContact O-N 3.33Å
136A61.4Low65.6Low60 Ų6087.3 Ų87.350%0.49652%0.516SS..Hα-helixtrans-72.8-44.9174.500000111.5E132 A133 L134 K139 A140E132-A136 VanDerWaalsContact O-CB 3.28Å; E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 3.46Å; A133-A136 PolarHBondContact O-N 2.89Å; L134-A136 VanDerWaalsContact C-N 3.29Å; L134-A136 PolarHBondContact O-N 2.99Å; A136-K139 PolarHBondContact O-N 3.45Å; A136-A140 VanDerWaalsContact O-CB 3.29Å; A136-A140 WeakPolarHBondContact O-CB 3.47Å; A136-A140 PolarHBondContact O-N 3.3Å
137A60.9Low62.9Low57 Ų5788.1 Ų88.147%0.47153%0.529SS..Hα-helixtrans-60.2-49176.600000112A133 L134 K139 A140 E141A133-A137 WeakPolarHBondContact O-CB 3.41Å; A133-A137 PolarHBondContact O-N 3.39Å; L134-A137 PolarHBondContact O-N 3.5Å; A137-K139 PolarHBondContact O-N 2.92Å; A137-A140 PolarHBondContact O-N 2.81Å; A137-E141 PolarHBondContact O-N 3.16Å; A137-E141 VanDerWaalsContact O-N 3.07Å
138S59.7Low60.3Low71 Ų7186.7 Ų86.750%0.49753%0.534SS..Hα-helixtrans-67.5-33.4177.852.70000113.3L134 A135 A142L134-S138 WeakPolarHBondContact O-CB 3.34Å; L134-S138 PolarHBondContact O-N 3.02Å; L134-S138 PolarHBondContact O-OG 2.88Å; A135-S138 PolarHBondContact O-OG 3.39Å; S138-A142 WeakPolarHBondContact O-CB 3.27Å; S138-A142 PolarHBondContact O-N 3.25Å; S138-A142 VanDerWaalsContact O-N 3.12Å
139K53.9Low57.7Low150 Ų15092 Ų9265%0.65257%0.572SS**Hα-helixtrans-70.7-33.9170.5-78.9175.9178.61780113.2A135 A136 A137 A142 A143A135-K139 WeakPolarHBondContact O-CB 3.47Å; A135-K139 WeakPolarHBondContact O-CG 3.37Å; A135-K139 PolarHBondContact O-N 3.33Å; A136-K139 PolarHBondContact O-N 3.45Å; A137-K139 PolarHBondContact O-N 2.92Å; K139-A142 CarbonylContact O-C 3.53Å; K139-A142 PolarHBondContact O-N 3.13Å; K139-A143 WeakPolarHBondContact O-CB 3.41Å; K139-A143 PolarHBondContact O-N 3.1Å
140A55.1Low55.1Low66 Ų6695.6 Ų95.655%0.54560%0.6SS.*Hα-helixtrans-67.3-40.317700000111.3A136 A137 A143 A144A136-A140 VanDerWaalsContact O-CB 3.29Å; A136-A140 WeakPolarHBondContact O-CB 3.47Å; A136-A140 PolarHBondContact O-N 3.3Å; A137-A140 PolarHBondContact O-N 2.81Å; A140-A143 PolarHBondContact O-N 3.19Å; A140-A144 PolarHBondContact O-N 2.69Å
141E51.3Low53.1Low167 Ų16799.1 Ų99.178%0.7863%0.628SS**Hα-helixtrans-65-40.5173-160.7176.2-172.700111.6A137 A143A137-E141 PolarHBondContact O-N 3.16Å; A137-E141 VanDerWaalsContact O-N 3.07Å; E141-A143 VanDerWaalsContact C-N 3.26Å; E141-A143 PolarHBondContact O-N 3.09Å
142A49.3Very low51.5Low90 Ų90100.2 Ų100.274%0.74463%0.633SS**Hα-helixtrans-72.8-10.4173.800000115S138 K139S138-A142 WeakPolarHBondContact O-CB 3.27Å; S138-A142 PolarHBondContact O-N 3.25Å; S138-A142 VanDerWaalsContact O-N 3.12Å; K139-A142 CarbonylContact O-C 3.53Å; K139-A142 PolarHBondContact O-N 3.13Å
143A44.4Very low49.9Very low74 Ų7497.5 Ų97.561%0.61264%0.638SS**THydrogen-bonded Turntrans-109.88.7-17900000113.5K139 A140 E141 P145K139-A143 WeakPolarHBondContact O-CB 3.41Å; K139-A143 PolarHBondContact O-N 3.1Å; A140-A143 PolarHBondContact O-N 3.19Å; E141-A143 VanDerWaalsContact C-N 3.26Å; E141-A143 PolarHBondContact O-N 3.09Å; A143-P145 WeakPolarHBondContact O-CD 3.44Å
144A41.3Very low48.6Very low70 Ų70102.7 Ų102.758%0.57966%0.66SS**  trans-61.1118.5170.500000110A140A140-A144 PolarHBondContact O-N 2.69Å
145P43.5Very low47.5Very low107 Ų107107.6 Ų107.670%0.69568%0.678SS**  trans-69.1139.3-175.527.7-34.4000111.2A143 T147A143-P145 WeakPolarHBondContact O-CD 3.44Å; P145-T147 VanDerWaalsContact C-N 3.27Å; P145-T147 PolarHBondContact O-N 2.81Å
146T42.8Very low46.5Very low134 Ų134112.1 Ų112.182%0.82270%0.702SS**  trans-71.675179.8-460000112.2S148T146-S148 PolarHBondContact O-N 3.4Å
147T38.1Very low45.8Very low120 Ų120120 Ų12074%0.73672%0.719SS**  trans-85.590166.756.50000109.6P145 P149P145-T147 VanDerWaalsContact C-N 3.27Å; P145-T147 PolarHBondContact O-N 2.81Å; T147-P149 WeakPolarHBondContact O-CD 3.48Å
148S38.9Very low45.1Very low90 Ų90122.1 Ų122.163%0.62973%0.73SS**  trans-54123.1178.7-54.80000112.2T146 S150T146-S148 PolarHBondContact O-N 3.4Å; S148-S150 PolarHBondContact O-N 2.95Å
149P37.5Very low44.6Very low135 Ų135127.1 Ų127.188%0.87775%0.745SS**  trans-78.855174.133.9-35.9000111.6T147T147-P149 WeakPolarHBondContact O-CD 3.48Å
150S38.4Very low44.2Very low99 Ų99129.6 Ų129.669%0.69276%0.756SS**  trans-78.8143.2160.5-169.20000108S148S148-S150 PolarHBondContact O-N 2.95Å
151S45.2Very low43.7Very low113 Ų113133.5 Ų133.579%0.7976%0.763SS**SBendtrans7934.1177.5750000120.2
152Q43.2Very low43.6Very low177 Ų177132.4 Ų132.483%0.82776%0.758SS**  trans-131.441.7149.7-74.4-152.81800114D154Q152-D154 PolarHBondContact O-N 3.5Å
153A40.3Very low43.5Very low102 Ų102133.9 Ų133.984%0.84375%0.753SS**  trans-86.231.9169.900000113.2
154D44.9Very low43.6Very low147 Ų147137.5 Ų137.579%0.78676%0.755SS**SBendtrans-151.856.6-176.7-127-28.9000113.7Q152Q152-D154 PolarHBondContact O-N 3.5Å
155K43.6Very low43.7Very low189 Ų189142 Ų14282%0.82276%0.761SS**SBendtrans-154.937.7167.8-120.4162.6-169.2173.50115.1
156T42.2Very low43.8Very low137 Ų137144.2 Ų144.284%0.8476%0.76SS**SBendtrans-139.531.2178.7-140000113.4
157R47.2Very low44.1Very low226 Ų226145.4 Ų145.485%0.85376%0.756SS**SBendtrans-126.428.6179.9-155-167.4162.7175.8-4.6114
158S46.2Very low44.6Very low101 Ų101146.1 Ų146.171%0.70675%0.751SS**SBendtrans-129.9-19.9-179.3-52.60000114.8
159E48.9Very low45Very low176 Ų176150.2 Ų150.282%0.82276%0.758SS**THydrogen-bonded Turntrans-89.2-8.7-177.7-64.4-177.2119.200114
160K45.9Very low45.5Very low202 Ų202152.2 Ų152.288%0.87875%0.753SS**THydrogen-bonded Turntrans-96.92.2177.6-153.1168.1-175.9174.80114.5
161E44.4Very low45.9Very low148 Ų148156.2 Ų156.269%0.69276%0.758SS**THydrogen-bonded Turntrans-104.4-26.9178.5-158.7174.2128.600112.9
162H48.8Very low46.1Very low144 Ų144158.9 Ų158.967%0.66776%0.758SS**THydrogen-bonded Turntrans-72.6-31.9-174.8-165.6-102.5000113.9
163D48.6Very low46Very low121 Ų121159.6 Ų159.665%0.64776%0.758SS**THydrogen-bonded Turntrans-75-41.3-176.3-135.5-117.8000112.4K165 K166D163-K165 PolarHBondContact O-N 2.77Å; D163-K166 WeakPolarHBondContact O-CB 3.2Å; D163-K166 PolarHBondContact O-N 2.72Å
164K46.5Very low46.2Very low150 Ų150162 Ų16265%0.65276%0.757SS**Hα-helixtrans-62-30179.3-164.9176.6179.9-171.30112.8K166K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 3.48Å
165K43.3Very low46.1Very low163 Ų163159.4 Ų159.471%0.70976%0.756SS**Hα-helixtrans-76.8-10.1177.8-157.5164.7-171.61680113.9D163D163-K165 PolarHBondContact O-N 2.77Å
166K44.3Very low46Very low155 Ų155157.8 Ų157.867%0.67476%0.756SS**Hα-helixtrans-89.8-24.4179-162.7176.7-179.3-177.10112.9D163 K164D163-K166 WeakPolarHBondContact O-CB 3.2Å; D163-K166 PolarHBondContact O-N 2.72Å; K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 3.48Å
167E50Low46Very low158 Ų158160.7 Ų160.774%0.73876%0.757SS**Hα-helixtrans-82.7-47.1-178.4-165171.3-170.100112.3K169 K170E167-K169 VanDerWaalsContact C-N 3.33Å; E167-K169 PolarHBondContact O-N 3.35Å; E167-K170 WeakPolarHBondContact O-CB 3.27Å; E167-K170 PolarHBondContact O-N 2.95Å
168E48.3Very low46Very low136 Ų136158 Ų15864%0.63676%0.758SS**Hα-helixtrans-59.9-41.1179.6-68.1-180154.100112K170 K171E168-K170 PolarHBondContact O-N 3.22Å; E168-K171 PolarHBondContact O-N 2.99Å
169K46.9Very low45.7Very low176 Ų176161.3 Ų161.377%0.76576%0.763SS**Hα-helixtrans-67.6-5.4178.7-164.3164.6-176.4174.60114.3E167E167-K169 VanDerWaalsContact C-N 3.33Å; E167-K169 PolarHBondContact O-N 3.35Å
170K47.8Very low44.9Very low176 Ų176163.4 Ų163.477%0.76576%0.763SS**Hα-helixtrans-91-19.3171.5-160.8179.5177.1-170.60113E167 E168E167-K170 WeakPolarHBondContact O-CB 3.27Å; E167-K170 PolarHBondContact O-N 2.95Å; E168-K170 PolarHBondContact O-N 3.22Å
171K46.8Very low44.5Very low183 Ų183161.8 Ų161.880%0.79676%0.759SS**Hα-helixtrans-90.2-16.6-172.1-154.7172.8-177-179.40114.6E168E168-K171 PolarHBondContact O-N 2.99Å
172E49.1Very low43.7Very low169 Ų169160 Ų16079%0.7976%0.762SS**SBendtrans-88.5-14.5-177.8-162.7172.2-147.600113.6
173K42.8Very low42.8Very low192 Ų192160.5 Ų160.584%0.83577%0.77SS**SBendtrans-95.6-1.2-174.9-154.8179.9174.4-177.20115
174D42.7Very low41.9Very low154 Ų154160.7 Ų160.782%0.82478%0.781SS**SBendtrans-105.60.2-176.5-138.8-132.9000113.1
175A44.2Very low41.2Very low92 Ų92162.2 Ų162.276%0.7679%0.787SS**SBendtrans-98.4-8.3-176.400000114.7
176D41.8Very low40.7Very low155 Ų155159.4 Ų159.483%0.82979%0.789SS**SBendtrans-115.350.4-175.4-169.2-133.3000112.3
177K41.5Very low40.1Very low198 Ų198159.6 Ų159.686%0.86179%0.792SS**SBendtrans-151.733169.1-146.9-160.3172.1-1720115.6
178L46.5Very low38.9Very low168 Ų168157.2 Ų157.288%0.8879%0.792SS**SBendtrans-149.671.4175.6-110.4159.1000110.7
179E39.9Very low38Very low172 Ų172162.5 Ų162.580%0.80481%0.805SS**  trans-176.381149.1-103.4-47145.300111.4
180R33.8Very low37.2Very low219 Ų219159.4 Ų159.483%0.82681%0.806SS**SBendtrans-168.5143.3150.4-113.7169-165.4-160.40.8113.3
181H36.3Very low36.8Very low169 Ų169156.3 Ų156.378%0.78281%0.807SS**  trans68.660173.4-48.7129.2000116.4
182S27.3Very low36.9Very low110 Ų110152.6 Ų152.677%0.76980%0.801SS**  trans-73.9165.513160.50000110.4
183N29.8Very low36.3Very low154 Ų154154 Ų15482%0.82480%0.804SS**  trans69.985169.8-164.733.8000119.2
184S30.2Very low35.7Very low126 Ų126153.5 Ų153.588%0.88180%0.803SS**  -146.5141.1129.265.80000111.1
185K32Very low35.4Very low181 Ų181151 Ų15179%0.78780%0.797SS**  trans-128.7135.7179.7171.8-171175.7-172.60107.1
186S33Very low34.8Very low105 Ų105152.3 Ų152.373%0.73480%0.796SS**  trans169.5112.8145.5-90.20000114.4
187E30.4Very low34.6Very low158 Ų158153.3 Ų153.374%0.73880%0.795SS**  40.6108.7128.7-64.9-18073.100123.8
188C24.7Very low35Very low109 Ų109148.7 Ų148.774%0.73679%0.786SS**  95.4144.1109.690.10000123.7
189R29.6Very low34.5Very low246 Ų246144.4 Ų144.493%0.92877%0.774SS**  trans63.1146.8166-73.6-177.3166.5-158.7-3.8117.4
190S30.3Very low34.7Very low112 Ų112143 Ų14378%0.78378%0.778SS**  cis-142.5163.9942.90000114
191S39.6Very low34.9Very low111 Ų111140.1 Ų140.178%0.77678%0.778SS**  trans-100.5-162.7-177.2-39.10000111.2
192P50.2Low35.3Very low104 Ų104139.2 Ų139.268%0.67578%0.779SS**  cis-145.1-172.4-1.732.4-7.1000118.2
193K35.6Very low35.8Very low198 Ų198142.5 Ų142.586%0.86179%0.786SS**  trans96.8147.9156.3-57.4170.8-175175.90116.5
194K29.5Very low35.9Very low183 Ų183138.2 Ų138.280%0.79678%0.779SS**  cis-172.2151.2-21.1171.4-178.5169.7-174.90104.5
195S36.8Very low36.1Very low100 Ų100139.8 Ų139.870%0.69978%0.776SS**  cis-138-152.819.6-11.50000108.9
196T32.9Very low36.2Very low121 Ų121138.6 Ų138.674%0.74278%0.778SS**  -176.8102.2-58.4-73.40000107.2
197E36.7Very low36.5Very low175 Ų175137.4 Ų137.482%0.81877%0.774SS**  trans-26.4-172.3143.7-107.9-167.2135.400118.8
198P50.3Low37.4Very low102 Ų102136 Ų13666%0.66278%0.779SS**  cis-140.7-168.2-0.433.1-9.5000116.7
199A36.2Very low37.8Very low77 Ų77140 Ų14064%0.63679%0.787SS**  trans73.2125.7143.400000119.3
200V42.8Very low37.9Very low144 Ų144132 Ų13287%0.87378%0.781SS**  cis71116.146.7-43.50000116.1
201D38.3Very low38Very low158 Ų158136.7 Ų136.785%0.84579%0.79SS**  -161.2178.2114.6-153.6-2000111
202L44.9Very low37.6Very low150 Ų150135.2 Ų135.279%0.78579%0.793SS**  trans-118.1163.2-177.3-77.2162.3000112.8
203L38Very low36.7Very low178 Ų178140.8 Ų140.893%0.93281%0.806SS**  trans70.7130.5169.4-54.5168.5000117.2
204G33.1Very low36.4Very low65 Ų65134.5 Ų134.567%0.6780%0.798SS**  trans145.474.1146.900000120.5
205I33.2Very low36.5Very low158 Ų158131.5 Ų131.581%0.8180%0.8SS**  71.4146.4129.9-65.7164.3000120.4
206D34.3Very low36.2Very low156 Ų156133.2 Ų133.283%0.83480%0.801SS**  trans80157.2162.5-104.5-79.7000123.5
207A39.3Very low36.4Very low80 Ų80134.6 Ų134.666%0.66180%0.799SS**  trans-104.6-174.7-175.700000111.5
208P49.1Very low36.3Very low128 Ų128132.8 Ų132.883%0.83180%0.801SS**  -145.8177.18939.3-23.2000115.5
209E33.4Very low35.4Very low195 Ų195131.2 Ų131.291%0.91180%0.803SS**  trans-70.2162.8166.3-55.1167.4116.600111.5
210G31.9Very low35.7Very low78 Ų78134 Ų13480%0.80482%0.815SS**  trans167.599172.100000115.9
211E31.7Very low35.2Very low209 Ų209131 Ų13198%0.97781%0.813SS**  trans-49.8148179-51.7174.495.500116.5
212G31.4Very low35.1Very low80 Ų80127.2 Ų127.283%0.82581%0.811SS**  trans-174.5103.5169.700000115.9
213K31Very low34.9Very low221 Ų221128.1 Ų128.196%0.96182%0.817SS**  trans-67.9145.7174.7-60.1167.2179.3167.90112
214G29.3Very low34.8Very low67 Ų67128 Ų12869%0.69181%0.811SS**  trans16988.6160.100000118.7
215S31.6Very low35.2Very low120 Ų120132.1 Ų132.184%0.83982%0.817SS**  trans38.9123141.4610000122.8
216D31.8Very low35.8Very low135 Ų135131.4 Ų131.472%0.72282%0.815SS**  trans103.1144.2130.3-137.6-135.3000122.6
217Q36.2Very low36.8Very low150 Ų150131.3 Ų131.370%0.70181%0.814SS**  trans-34.4156.7170.1-66.2165.79600116.7
218T34.6Very low36.9Very low137 Ų137136.8 Ų136.884%0.8482%0.823SS**  cis-159.61652.918.10000109.6
219G30.8Very low36.4Very low69 Ų69134.1 Ų134.171%0.71182%0.819SS**  trans-168.9153.1167.600000114.6
220P42.7Very low37.3Very low137 Ų137130.3 Ų130.389%0.8981%0.811SS**  trans-96.8113.4169.233.9-27000111.2
221G33.8Very low37.4Very low80 Ų80134.8 Ų134.883%0.82581%0.813SS**PPolyproline II helixtrans-88.8155.8179.100000114.3
222G34.3Very low37.7Very low79 Ų79131 Ų13181%0.81480%0.804SS**PPolyproline II helixtrans-86.9172.4168.800000113.1
223N42.5Very low38Very low169 Ų169132.1 Ų132.190%0.90480%0.799SS**PPolyproline II helixtrans-91.8140.2-176.6-27.3-93.1000112.6
224E35.9Very low38.2Very low174 Ų174129.2 Ų129.281%0.81379%0.794SS**  trans-160.5154.1139.4-122.2176.455.200111.1
225L40.1Very low39.2Very low152 Ų152131 Ų13180%0.79679%0.794SS**  trans33127.6159-61.6157.4000118.7
226D46.5Very low39.3Very low143 Ų143133.5 Ų133.577%0.76580%0.797SS**  cis-157.4162.745.8-170.70.5000110.9
227L54.5Low39.5Very low154 Ų154132.2 Ų132.281%0.80680%0.798SS**  trans-127.64.6-166.5-170.251.2000115.5
228F42.4Very low40.1Very low195 Ų195130.9 Ų130.986%0.85580%0.802SS**  trans-119.776.1-177.8-78.2-84.2000114.6
229G39.1Very low39.9Very low72 Ų72132 Ų13274%0.74280%0.804SS**  trans-134.2131.6169.600000112.2
230P50.9Low40.1Very low116 Ų116135 Ų13575%0.75380%0.803SS**  trans-102.9173.2-171.339.3-36.8000115.7
231M35.4Very low39.8Very low172 Ų172135.1 Ų135.185%0.84780%0.801SS**  trans90.8115147.793.2-161.5165.800122.8
232V36.8Very low39.9Very low129 Ų129139.4 Ų139.478%0.78280%0.798SS**  trans68.795.5132.5-178.80000120.8
233S37.6Very low40Very low104 Ų104144.8 Ų144.873%0.72780%0.801SS**  58.4119121.6-50.30000124.6
234N34.5Very low39.6Very low159 Ų159141.4 Ų141.485%0.8578%0.783SS**  trans69.7164.5139.7-100.519.6000120.3
235P50.9Low39.7Very low106 Ų106141.3 Ų141.369%0.68878%0.782SS**  cis-123.5178.5-6.240.2-25.8000114.9
236L33.2Very low39.4Very low172 Ų172139.6 Ų139.690%0.90178%0.783SS**  trans-88.2154.2167.9-76.5164.6000112.3
237S36.2Very low38.7Very low107 Ų107135.9 Ų135.975%0.74878%0.778SS**  trans-122.2-174.8174.5-49.20000110
238P49.1Very low37.9Very low122 Ų122134.2 Ų134.279%0.79278%0.78SS**  -120.6177.3-112.831.6-11.2000114.3
239N30.7Very low37.5Very low162 Ų162130.3 Ų130.387%0.86678%0.777SS**  trans-139.9153153.2-156.6-3000110.7
240N34.3Very low37.2Very low130 Ų130132 Ų13270%0.69578%0.783SS**  trans-155.1119.9-161171.316.4000111.7
241T36.3Very low36.4Very low140 Ų140131 Ų13186%0.85979%0.786SS**  trans-152.3147.8156.5-5.40000111.4
242K36.8Very low37.9Very low171 Ų171128.4 Ų128.474%0.74378%0.781SS**  trans-98.1162.9-179.3-59.9176.2174.4-176.20112.2
243H35.7Very low39.1Very low191 Ų191127 Ų12788%0.88477%0.774SS**  -148.3175.7127.2-134.3-98.6000112.3
244D34.1Very low39.2Very low98 Ų98129.9 Ų129.952%0.52478%0.777SS.*  trans-125.8157.9-146.4-120.1-105.7000115.2
245Q38.8Very low39.5Very low172 Ų172128.7 Ų128.780%0.80478%0.775SS**  trans67.6157.2153.4-76.3164.66600120
246S34Very low38.8Very low117 Ų117130.6 Ų130.682%0.81878%0.775SS**  cis-170.1158.1-16.6179.50000111.1
247G30.8Very low39.8Very low64 Ų64128.1 Ų128.166%0.6677%0.769SS**  trans127.7106.3149.600000121
248S37.9Very low39.9Very low120 Ų120127.5 Ų127.584%0.83976%0.764SS**  trans26.4153.4132.7-56.70000123.6
249S35.3Very low39Very low113 Ų113128.5 Ų128.579%0.7977%0.769SS**  cis-177.6148.5-10-90.20000111.1
250A32.6Very low39.3Very low106 Ų106125.3 Ų125.388%0.87676%0.759SS**  trans178.5157.8150.700000112.1
251A33.6Very low39.1Very low97 Ų97124.6 Ų124.680%0.80276%0.759SS**  trans-151.1-164.2-17400000113.8
252P66.8Low39.1Very low116 Ų116122.8 Ų122.875%0.75375%0.753SS**  trans-114.4-148.2-131.834.4-10000112.9
253P63.2Low39Very low99 Ų99119.4 Ų119.464%0.64375%0.75SS**  -163.2179.273.842.8-19.3000120.5
254Q37.9Very low39Very low165 Ų165115 Ų11577%0.77174%0.741SS**  trans73.9153.7159.2-49.4-45.2-23.300121
255V40.9Very low39Very low134 Ų134114.8 Ų114.881%0.81275%0.747SS**  cis-146.91643.5-123.90000113.1
256E36.9Very low38.8Very low147 Ų147112 Ų11269%0.68774%0.742SS**  trans-101.1179.9170-97.2-74.4130.600110.7S258E256-S258 PolarHBondContact OE2-N 3.46Å; E256-S258 PolarHBondContact OE2-OG 3.23Å
257P54.5Low38.8Very low119 Ų119111.3 Ų111.377%0.77374%0.737SS**  cis-148.1144.333.341-17.8000122.8
258S36.9Very low39Very low94 Ų94113 Ų11366%0.65774%0.739SS**  24.3140.3126.8-64.30000124.5E256E256-S258 PolarHBondContact OE2-N 3.46Å; E256-S258 PolarHBondContact OE2-OG 3.23Å
259T30.4Very low38.8Very low144 Ų144112.4 Ų112.488%0.88374%0.735SS**  trans-154151.9145.5-72.70000110.8
260S37.2Very low38.9Very low95 Ų95112.1 Ų112.166%0.66473%0.733SS**  trans-85.5-176.6-170.861.10000113.7
261T31.3Very low38.8Very low115 Ų115114.3 Ų114.371%0.70674%0.735SS**  cis-170.8149.842.3-310000113.5
262S35.3Very low38.8Very low102 Ų102113.9 Ų113.971%0.71373%0.732SS**  trans46.5145.4146.456.80000123.3
263S35.5Very low37.1Very low99 Ų99114.5 Ų114.569%0.69273%0.734SS**  cis-175.5163.5-14.253.40000111.6
264S34.6Very low35.7Very low99 Ų99119.5 Ų119.569%0.69275%0.745SS**  trans59.8143.3142.856.30000122.4
265S35.3Very low35.5Very low93 Ų93117.6 Ų117.665%0.6575%0.745SS**  cis-175.2168.7-15.855.80000111.7
266T34Very low35.4Very low113 Ų113118.2 Ų118.269%0.69374%0.739SS**  trans57115.9147.647.40000119.7
267S34.1Very low35.3Very low103 Ų103120.1 Ų120.172%0.7275%0.748SS**  75.4149.763.6850000113.9
268S34.7Very low34.8Very low100 Ų100122.7 Ų122.770%0.69975%0.747SS**  cis-171.7152.3-1.5280000112.7
269S33.4Very low35.1Very low108 Ų108127.3 Ų127.376%0.75576%0.755SS**  trans59117.4142.8-540000124.1
270S37.3Very low35.7Very low106 Ų106128.6 Ų128.674%0.74176%0.755SS**  62131.5128.966.90000123.8
271T30.3Very low36.3Very low152 Ų152132.1 Ų132.193%0.93377%0.766SS**  -168.3170.8125.412.80000111.8
272A33.6Very low37.4Very low88 Ų88130.3 Ų130.373%0.72776%0.758SS**  trans-101.6174.6-173.300000112.8
273T31.2Very low38.3Very low129 Ų129134.1 Ų134.179%0.79176%0.762SS**  -178.6156.460.847.40000113.3
274K35.2Very low39.4Very low204 Ų204134.5 Ų134.589%0.88776%0.756SS**  trans62.6159.3157.2-115178.9174.4-1770116.8
275V32.6Very low40.6Very low126 Ų126133.8 Ų133.876%0.76475%0.751SS**  cis-137.9166.112.7-174.30000110.1
276E38.3Very low41.6Very low147 Ų147135.4 Ų135.469%0.68775%0.751SS**  trans-67.3151.4168.1-72.7-1759700114.1K278E276-K278 IonicContact OE1-NZ 2.75Å; E276-K278 PolarHBondContact OE1-NZ 3.35Å
277E35.4Very low42.9Very low186 Ų186136.5 Ų136.587%0.86975%0.752SS**  -151.8142.4121.8-134.5-168.516100111.3
278K43.7Very low44Very low174 Ų174136.3 Ų136.376%0.75775%0.751SS**  trans-104.7115176.4-69.6170.1-178112.50109.1E276E276-K278 IonicContact OE1-NZ 2.75Å; E276-K278 PolarHBondContact OE1-NZ 3.35Å
279K43.1Very low45Very low191 Ų191138.5 Ų138.583%0.8375%0.754SS**  trans-120.8121.3170.8-155.1164.5-169.9169.40112.1L281K279-L281 PolarHBondContact O-N 3.46Å
280L43.9Very low46.1Very low170 Ų170143.6 Ų143.689%0.8976%0.758SS**  trans-66.7123.4-179.9-64.8162000109.8S282L280-S282 PolarHBondContact O-N 3.25Å
281L50.4Low46.5Very low170 Ų170141.2 Ų141.289%0.8975%0.751SS**  trans-78.1108.4171.7-68.4172.8000109K279K279-L281 PolarHBondContact O-N 3.46Å
282S53.2Low46.9Very low77 Ų77139.5 Ų139.554%0.53874%0.744SS.*  trans-68.1160.2-179.9-169.60000112.5L280 D284 S285L280-S282 PolarHBondContact O-N 3.25Å; S282-D284 WeakPolarHBondContact CB-OD2 3.14Å; S282-D284 PolarHBondContact O-N 3.05Å; S282-D284 PolarHBondContact OG-OD2 3.2Å; S282-S285 PolarHBondContact O-N 3.05Å
283K54.1Low47.1Very low182 Ų182141.5 Ų141.579%0.79175%0.753SS**THydrogen-bonded Turntrans-61.6-17.3-174.2-65.3179.4177.3176.60113.9S285 I286K283-S285 PolarHBondContact O-N 2.57Å; K283-I286 PolarHBondContact O-N 3Å
284D58.8Low47.3Very low106 Ų106141.3 Ų141.357%0.56776%0.757SS**Hα-helixtrans-66.2-21.3-175.2-44.6-77.4000113.5S282 I286 S288S282-D284 WeakPolarHBondContact CB-OD2 3.14Å; S282-D284 PolarHBondContact O-N 3.05Å; S282-D284 PolarHBondContact OG-OD2 3.2Å; D284-I286 VanDerWaalsContact C-N 3.26Å; D284-I286 PolarHBondContact O-N 3.46Å; D284-S288 PolarHBondContact O-N 3.31Å; D284-S288 PolarHBondContact O-OG 2.77Å
285S59.1Low47.4Very low85 Ų85138.9 Ų138.959%0.59476%0.759SS**Hα-helixtrans-62.4-31.5174.8-168.60000112.8S282 K283S282-S285 PolarHBondContact O-N 3.05Å; K283-S285 PolarHBondContact O-N 2.57Å
286I58.1Low47.6Very low127 Ų127135.8 Ų135.865%0.65175%0.753SS**Hα-helixtrans-83.4-34.4-176.2-60.9178.8000111.9K283 D284 S288K283-I286 PolarHBondContact O-N 3Å; D284-I286 VanDerWaalsContact C-N 3.26Å; D284-I286 PolarHBondContact O-N 3.46Å; I286-S288 VanDerWaalsContact C-N 3.3Å; I286-S288 PolarHBondContact O-N 3.43Å
287L60.3Low47.4Very low135 Ų135135.2 Ų135.271%0.70777%0.765SS**Hα-helixtrans-70.9-27179-95.364.7000112.7L289 Y290L287-L289 PolarHBondContact O-N 2.92Å; L287-Y290 PolarHBondContact O-N 3.03Å
288S57.4Low47.4Very low99 Ų99135 Ų13569%0.69276%0.764SS**THydrogen-bonded Turntrans-60.3-13.9177.8-60.10000114.6D284 I286D284-S288 PolarHBondContact O-N 3.31Å; D284-S288 PolarHBondContact O-OG 2.77Å; I286-S288 VanDerWaalsContact C-N 3.3Å; I286-S288 PolarHBondContact O-N 3.43Å
289L56.5Low47.8Very low146 Ų146131.2 Ų131.276%0.76476%0.757SS**THydrogen-bonded Turntrans-88.4-10179.1-93.5156.5000115.1L287L287-L289 PolarHBondContact O-N 2.92Å
290Y55.3Low47.4Very low215 Ų215130.7 Ų130.784%0.84376%0.758SS**THydrogen-bonded Turntrans-124.50.5-174.9-77.3-86.6000114.6L287L287-Y290 PolarHBondContact O-N 3.03Å
291G46.3Very low47Very low57 Ų57128 Ų12859%0.58875%0.753SS**  trans-117.578.5-169.800000115.5
292S39.3Very low46.4Very low115 Ų115127.9 Ų127.980%0.80475%0.748SS**  trans178.9124.1138.2-83.60000113
293S37.2Very low46.1Very low130 Ų130130 Ų13091%0.90976%0.76SS**  trans-146.498163.9-750000109.2
294S36.1Very low45.4Very low126 Ų126129.3 Ų129.388%0.88176%0.759SS**  trans-150.9157.3170.5550000109.7
295V37Very low45.1Very low152 Ų152130.2 Ų130.292%0.92177%0.771SS**  trans-109.4149.1-161.364.70000112.4
296G36.4Very low44.1Very low61 Ų61130.9 Ų130.963%0.62978%0.782SS**  trans174.5118.7166.100000118.1
297S33.6Very low43.3Very low135 Ų135129.9 Ų129.994%0.94479%0.793SS**  trans70.9161.9154.555.80000121.5
298Q35.9Very low42Very low181 Ų181128.6 Ų128.685%0.84680%0.801SS**  trans-130.4-172.9-166.7-126.1-154.7-12.100108.5
299P52.7Low40.9Very low96 Ų96127.3 Ų127.362%0.62380%0.804SS**  cis-136.7-157.23.539.2-16.7000115.1
300Q33.8Very low40.7Very low180 Ų180126.9 Ų126.984%0.84181%0.81SS**  trans83.9137.5154-152.8165.9-10.200117
301S35.7Very low39.6Very low114 Ų114120.1 Ų120.180%0.79781%0.805SS**  cis-150.5172.5-6.740.50000111.9
302Q38.4Very low39.1Very low167 Ų167125.6 Ų125.678%0.7882%0.82SS**  trans-143.4153.9179.5-169.6-167.928.900111.6
303P46.8Very low39.1Very low121 Ų121130.1 Ų130.179%0.78682%0.821SS**  trans-126.2156.8150.836.3-24.6000114.3
304Q39.3Very low39.2Very low167 Ų167131.7 Ų131.778%0.7882%0.818SS**  trans-104.3171.7163.9-55.2-170-48.500110.1
305P52.9Low39Very low125 Ų125128.6 Ų128.681%0.81281%0.807SS**  -142.2-157.477.225.2-0.6000111.7
306A36.5Very low39.5Very low99 Ų99130.2 Ų130.282%0.81880%0.804SS**  -164.4173.8-5700000107.8
307A42.4Very low40.2Very low107 Ų107132 Ų13288%0.88481%0.805SS**  trans-81151.9-159.700000118.3
308A33.6Very low40.5Very low107 Ų107134.3 Ų134.388%0.88480%0.801SS**  trans-161.9164.3153.200000111.3
309G32.8Very low40.5Very low72 Ų72132.3 Ų132.374%0.74280%0.801SS**  trans-144.8-160.2168.400000109.7
310P53.1Low39.8Very low138 Ų138137 Ų13790%0.89681%0.814SS**  cis-130.7178-8.842-27.1000114.4
311G31.1Very low39.8Very low72 Ų72138.7 Ų138.774%0.74282%0.819SS**  trans134.7167.9149.200000120.7
312L37.3Very low40Very low173 Ų173139.9 Ų139.991%0.90682%0.816SS**  trans72.578158.9-58.4179.2000122.4
313Y38.1Very low40.6Very low210 Ų210137.4 Ų137.482%0.82482%0.815SS**  35.3105.2113.1-170.1-100.5000121.9
314L39.5Very low40.8Very low162 Ų162137.2 Ų137.285%0.84881%0.814SS**  trans-177.4148.6137.5-126.470.2000107.9
315G31.9Very low40.5Very low62 Ų62133 Ų13364%0.63982%0.816SS**  cis164.5149.7-10.400000111.7
316Q48.4Very low39.9Very low186 Ų186137 Ų13787%0.86982%0.82SS**  trans76.4153.5170-66.1-58.4-3.200118.6
317P51Low40.4Very low99 Ų99137.9 Ų137.964%0.64382%0.818SS**  -131178.7-118.345.5-32.2000116.9
318Q38.4Very low41Very low182 Ų182138.5 Ų138.585%0.8581%0.813SS**  trans-89.3148.2163.5-64.5-70-69.500110.9
319V37.5Very low41.1Very low140 Ų140140 Ų14085%0.84881%0.81SS**  trans-95130.3173.4-74.70000111.5
320Q37.2Very low41.4Very low195 Ų195145.1 Ų145.191%0.91182%0.818SS**  trans-112.7140.8166.9-78.8-170.5-2100110.4
321F34.5Very low40.4Very low214 Ų214142.7 Ų142.794%0.93982%0.817SS**  trans-96.1134.9177.6-119-100.5000110.1
322N40.4Very low40.5Very low139 Ų139142.9 Ų142.974%0.74382%0.82SS**  trans-146.4119.9175-176.780.4000111.4
323P51Low40.4Very low115 Ų115139.9 Ų139.975%0.74781%0.813SS**  trans-91.1137.2179.134.2-32000112.7
324P50.4Low40.9Very low118 Ų118135.9 Ų135.977%0.76681%0.81SS**  trans-103.6145.8177.336.8-32.3000114.8
325G33.6Very low41.6Very low79 Ų79133.6 Ų133.681%0.81481%0.805SS**  trans59.5119.2130.400000121.8
326F38.3Very low42.1Very low207 Ų207137.3 Ų137.391%0.90882%0.816SS**  trans-70.6160.7159.2-75.3-92.4000112.8
327P48.6Very low41.5Very low119 Ų119135.3 Ų135.377%0.77382%0.816SS**  -128.615612137.3-31.9000113.5
328P54.1Low41.1Very low120 Ų120135.2 Ų135.278%0.77982%0.824SS**  trans-109.2158-179.239.4-33000114.4
329V35.6Very low41.2Very low137 Ų137133 Ų13383%0.8382%0.822SS**  trans-178.8159.713568.80000112.1
330M38.7Very low41.5Very low181 Ų181134.8 Ų134.889%0.89282%0.824SS**  trans71103167.9-67.9-143.3178.600120.8
331G33.3Very low41.5Very low86 Ų86129.4 Ų129.489%0.88782%0.82SS**  104.3116.3103.900000118.8
332G32.5Very low41.6Very low77 Ų77123.4 Ų123.479%0.79482%0.819SS**  trans159.5119.9165.900000115.1
333S35.9Very low41.4Very low110 Ų110120.2 Ų120.277%0.76982%0.819SS**  trans-41.6151.7165.3540000114.8
334V48.2Very low41.8Very low125 Ų125121 Ų12176%0.75882%0.824SS**  -160.2165.352.7-76.60000112.3
335P53.4Low42.3Very low114 Ų114120.9 Ų120.974%0.7482%0.823SS**  trans-97.6147.6172.736.8-32.2000114.2
336T42.7Very low42.8Very low141 Ų141125.7 Ų125.787%0.86583%0.827SS**  trans-136.8134.9156.550.80000109.7
337T35.6Very low42.7Very low143 Ų143121 Ų12188%0.87782%0.819SS**  trans-118.9120.8-171.944.60000112
338A42.8Very low42.1Very low98 Ų98118.6 Ų118.681%0.8182%0.816SS**  trans-150.8110.3168.200000111.9
339V41.7Very low41.3Very low134 Ų134119.5 Ų119.581%0.81282%0.819SS**  trans2.5129.2141.3170.60000115
340M42.4Very low41.4Very low179 Ų179119.5 Ų119.588%0.88282%0.82SS**  -170.2137.664.4-155.6169.6-166.700114.7
341G38.8Very low41.4Very low81 Ų81118.7 Ų118.784%0.83582%0.818SS**  trans70.9156.2156.400000119.2
342G36Very low42.5Very low89 Ų89119.7 Ų119.792%0.91881%0.809SS**  cis149.743.9-8.400000118.1
343G36.1Very low42.8Very low72 Ų72123.9 Ų123.974%0.74281%0.813SS**  trans-178.7156.2172.600000115.2
344P58.3Low42.7Very low132 Ų132121.9 Ų121.986%0.85781%0.81SS**  trans-106.3168.3-1635.618.3000115.9
345P62.8Low41.9Very low114 Ų114119.3 Ų119.374%0.7481%0.808SS**  trans-107.5154.9-172.640-34000116
346M44.1Very low41.3Very low181 Ų181123.9 Ų123.989%0.89281%0.813SS**  trans-167.1166.3161.6-80.3-53.7176.800108.4
347S35.1Very low41Very low107 Ų107125.3 Ų125.375%0.74881%0.811SS**  cis-175.9157.2-38.2-94.70000109
348G36.4Very low40.9Very low69 Ų69122.3 Ų122.371%0.71181%0.809SS**  trans89127.6179.700000112.9
349V37.6Very low40.5Very low140 Ų140121.7 Ų121.785%0.84881%0.812SS**  cis72.695.527.1-166.20000114.4
350T37.6Very low40.4Very low137 Ų137124.1 Ų124.184%0.8482%0.817SS**  -169143.7118.728.30000112.9
351L39.1Very low40.8Very low163 Ų163121.4 Ų121.485%0.85381%0.813SS**  trans-102.6-172.9161.7-117.383.6000107.4
352P55.9Low40.8Very low107 Ų107121.4 Ų121.470%0.69581%0.805SS**  cis-139.5-173.7-5.738.4-18.5000116
353N37.5Very low40.9Very low166 Ų166122.5 Ų122.589%0.88880%0.798SS**  trans80.4154.3139-147.210.2000120.9
354G35Very low41Very low67 Ų67128.3 Ų128.369%0.69181%0.806SS**  trans-175.4-4817200000121.4
355G31.8Very low39.8Very low71 Ų71125 Ų12573%0.73280%0.796SS**  trans76.3161.4169.900000120.3
356Y40.1Very low38.8Very low211 Ų211128.5 Ų128.583%0.82780%0.802SS**  trans22.7148.6156.188.4-45.9000122.2
357M36.5Very low38.5Very low170 Ų170127 Ų12784%0.83780%0.798SS**  cis-169.4155.729.5-156.3-177.9-162.700113.4
358G32.9Very low38.6Very low81 Ų81130.3 Ų130.384%0.83581%0.806SS**  trans78.5147.4138.600000120.7
359G33.9Very low38.7Very low84 Ų84136.8 Ų136.887%0.86681%0.81SS**  trans135.876.9163.500000117.8
360M40.1Very low38.6Very low186 Ų186136.6 Ų136.692%0.91681%0.805SS**  trans-102157150.9-96.7-169179.500107.7
361P51.9Low38.6Very low122 Ų122139 Ų13979%0.79281%0.808SS**  cis-153.8-163.84942.9-20.8000117.4
362A37.2Very low38.9Very low81 Ų81138.7 Ų138.767%0.66980%0.803SS**  trans82.994.414600000121
363S38.4Very low38.8Very low111 Ų111139.6 Ų139.678%0.77681%0.809SS**  33.8115.1124.362.40000121.1
364Q38.6Very low38.8Very low195 Ų195140.3 Ų140.391%0.91181%0.807SS**  -154.3157.4123.8-118.4178.925.800110.4
365G32.3Very low39Very low62 Ų62141.6 Ų141.664%0.63981%0.811SS**  trans-137.4150173.700000110.9
366Q42.9Very low39.2Very low188 Ų188146.8 Ų146.888%0.87982%0.816SS**  trans-160.4156.5162.3-118.7163.690.900111.1
367N38.2Very low39.2Very low148 Ų148148.6 Ų148.679%0.79182%0.822SS**  trans-74.7151.2175.1-69.5-88.6000110.2
368L35.6Very low39.4Very low177 Ų177147.8 Ų147.893%0.92782%0.821SS**  trans-130.9139.2159.2-154.669.2000110.5
369Y38.8Very low39.8Very low205 Ų205152 Ų15280%0.80482%0.821SS**  trans-89.7147-168.2-94.1-108.7000113.3
370N36.5Very low40.1Very low136 Ų136153.5 Ų153.573%0.72782%0.818SS**  trans26.2108.8133.5-166.658000118.1
371M37.8Very low40.4Very low187 Ų187152.3 Ų152.392%0.92181%0.81SS**  trans-110.2128.4160.2-77.9-163.175.400111.4
372Q45.8Very low40Very low157 Ų157155.7 Ų155.773%0.73482%0.816SS**  trans-133.1126169.5176.2178.3-6.400108.4
373P52.2Low40Very low126 Ų126159 Ų15982%0.81882%0.819SS**  trans-78127.8169.6-9.526.5000110.2
374Q37.5Very low40Very low181 Ų181159.3 Ų159.385%0.84682%0.821SS**  trans-109.7115.5170-171.6174.63.300108.6
375A40.8Very low39.9Very low95 Ų95156 Ų15679%0.78582%0.82SS**  trans-84.1125.1176.800000110.2
376Q34.9Very low40.2Very low180 Ų180162.4 Ų162.484%0.84184%0.835SS**  trans-124.2115.2-178.7-177.5179.80.200108.9
377W39.5Very low39.8Very low248 Ų248157.3 Ų157.394%0.93983%0.833SS**  trans-98.4129.7173.7-81.6106.5000110.8
378N42.2Very low40Very low153 Ų153159 Ų15982%0.81884%0.841SS**  trans-91.2152.3-175.9-165.416.1000111.1
379M40.6Very low39.8Very low171 Ų171154.5 Ų154.584%0.84284%0.838SS**  trans-117.5123.2-176.8-177.6178.2178.900110.1
380S40.7Very low39.6Very low115 Ų115148.9 Ų148.980%0.80484%0.843SS**  trans-124.8148.4171.158.10000111.2
381Q47Very low39.4Very low160 Ų160146.2 Ų146.275%0.74885%0.847SS**  trans-97.2153177.5-59.5173.85.300110.2
382Q43.2Very low39.2Very low194 Ų194140.7 Ų140.791%0.90784%0.838SS**  trans-143.7143.9147.8-167163.3-11.300109.8
383M35.8Very low39.6Very low150 Ų150139.6 Ų139.674%0.73985%0.845SS**  trans-98.5150.4-173.5-64.1-173.4-173.400113.2
384S38.3Very low38.8Very low118 Ų118138.2 Ų138.283%0.82584%0.843SS**  trans38.8118.7138.1-54.40000120.9
385S36.5Very low38.8Very low126 Ų126134.4 Ų134.488%0.88184%0.843SS**  -142.7149.8128.358.30000109.7
386M39.9Very low38.5Very low195 Ų195135.1 Ų135.196%0.96185%0.849SS**  trans-103141.4178.5-68.9-178.8175.600110.5
387G34.6Very low38.7Very low81 Ų81131.1 Ų131.184%0.83585%0.847SS**  trans-129130.3168.900000110.1
388L41.1Very low39.2Very low183 Ų183125 Ų12596%0.95884%0.839SS**  trans-106145.1-178.1-78.1169.9000111.4
389G32.4Very low39Very low84 Ų84121.9 Ų121.987%0.86684%0.835SS**  trans123.1138.617200000112.8
390G33.8Very low38.9Very low87 Ų87120.3 Ų120.390%0.89784%0.835SS**  cis145.497.5-5.300000112.1
391G32.9Very low38.6Very low80 Ų80118.5 Ų118.583%0.82583%0.834SS**  trans161114.6174.500000114.6
392G34Very low38.4Very low71 Ų71123.6 Ų123.673%0.73285%0.847SS**  trans-94.9-154.5142.400000108.8
393P54.6Low38.3Very low134 Ų134120.3 Ų120.387%0.8785%0.845SS**  cis-87.9-158.3-2.340.2-37000110.4
394A34.3Very low38.4Very low96 Ų96118 Ų11879%0.79385%0.85SS**  cis-150.5-167.57.700000111.7
395A37.8Very low38.9Very low101 Ų101118 Ų11884%0.83585%0.85SS**  trans-129.4150173.400000111.4
396A35Very low39.6Very low110 Ų110118.1 Ų118.191%0.90985%0.847SS**  trans-152.2107.6170.400000112.6
397A38.5Very low39.7Very low97 Ų97113.4 Ų113.480%0.80284%0.839SS**  trans-148.8164.816100000105.7
398P50.1Low40.8Very low120 Ų120115.7 Ų115.778%0.77984%0.839SS**  cis-139178.915.743.5-26.6000115.9
399A37.8Very low41Very low87 Ų87111.8 Ų111.872%0.71983%0.834SS**  trans-165.7119.2141.900000107.3
400T38.8Very low41.6Very low138 Ų138113.8 Ų113.885%0.84784%0.835SS**  53.193.36468.60000114.5
401G34.5Very low41.8Very low76 Ų76112.6 Ų112.678%0.78482%0.822SS**  trans-152113165.400000110
402W43.2Very low42.5Very low268 Ų268117.5 Ų117.5100%1.01582%0.824SS**  trans-99136.9174.1-63.6-45.3000110.2
403S39.6Very low43.2Very low125 Ų125119.8 Ų119.887%0.87482%0.824SS**  trans-149138.6164.252.50000109.3
404A38.4Very low42.9Very low101 Ų101121.4 Ų121.484%0.83582%0.824SS**  trans-99.9160.1-163.700000114.4
405S49.6Very low43.3Very low118 Ų118121.3 Ų121.383%0.82582%0.817SS**  trans-65.9155.9168.8-410000112.6
406P51.7Low44Very low128 Ų128121.8 Ų121.883%0.83181%0.81SS**  trans-122.1140.614736-27.4000112.5
407A41.4Very low44.6Very low96 Ų96125.4 Ų125.479%0.79381%0.808SS**  trans-164.4164.3166.700000108.8
408P57Low45.1Very low129 Ų129127.9 Ų127.984%0.83881%0.807SS**  cis-115.4-173.3-2339.5-26.7000111.2
409A44.7Very low44.9Very low102 Ų102133.6 Ų133.684%0.84381%0.813SS**  trans-129.8119.8168.700000112.1
410S46Very low45.4Very low126 Ų126143 Ų14388%0.88184%0.838SS**  trans-68161.9162.5-42.30000110.2
411G37.7Very low45.8Very low62 Ų62143.2 Ų143.264%0.63984%0.837SS**  cis143.8128.90.900000111.2
412Q47.2Very low46.4Very low183 Ų183146.7 Ų146.786%0.85584%0.84SS**  trans-166.8124.1170.5-102.2152.480.300105.7
413T50.3Low46.6Very low119 Ų119140 Ų14073%0.7383%0.83SS**  cis78.8136.44072.40000114.9
414L46.5Very low47Very low168 Ų168140.9 Ų140.988%0.8883%0.828SS**  trans86.9146.5-176.4-55.2169.6000115.8
415S44Very low47.5Very low93 Ų93143.4 Ų143.465%0.6583%0.827SS**  cis-162.8150.7-32.3-157.30000112.3
416T52.1Low47.4Very low111 Ų111145.1 Ų145.168%0.68183%0.828SS**  trans6.8119.3150.256.30000121.3
417Q47.2Very low47Very low187 Ų187146.3 Ų146.387%0.87483%0.827SS**  173.4130.5129.7-94.6153.969.300107.7
418L49.6Very low47.5Very low148 Ų148150.2 Ų150.278%0.77583%0.83SS**  cis82.3108.228.6-136.587.5000114.7
419W45.4Very low46.7Very low240 Ų240151.9 Ų151.991%0.90983%0.829SS**  trans70.1108.7165.6-66.117.3000119.6
420K49.6Very low46.9Very low284 Ų284156.5 Ų156.5100%1.23583%0.828SS**  -151.60114.8-131.7171.6-173.81730111.6

Retrieved 420 of 420 residues in 132.8 ms (Link to these results)

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