A0A060WVG3_ONCMY Loading...

Transgelin-3

AlphaFold DB , UniProt , Accession A0A060WVG3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 199 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
1M42.7Very low67.8Low219 Ų219118.4 Ų118.4100%1.07968%0.675SS**  01130-65.6176-175.500106.7
2A43.6Very low69.3Low86 Ų86120.3 Ų120.371%0.71166%0.663SS**  trans-97.6113-176.700000108.4R4A2-R4 VanDerWaalsContact C-N 3.3Å; A2-R4 PolarHBondContact O-N 2.87Å
3N43.8Very low70.9Confident171 Ų171119.4 Ų119.491%0.91465%0.651SS**  trans-6198.7162.1-73.7-41.9000106.7G5N3-G5 PolarHBondContact O-N 3.07Å
4R61.8Low72.1Confident191 Ų191116.1 Ų116.172%0.72164%0.636SS**PPolyproline II helixtrans-68.9121.6172.2-74.2-175.7178.5-169.9-1.8106.8A2 K120A2-R4 VanDerWaalsContact C-N 3.3Å; A2-R4 PolarHBondContact O-N 2.87Å; R4-K120 VanDerWaalsContact NH1-NZ 3.16Å
5G65.5Low73Confident54 Ų54112.2 Ų112.256%0.55761%0.612SS**PPolyproline II helixtrans-61.7171.5173.200000111.6N3 S7N3-G5 PolarHBondContact O-N 3.07Å; G5-S7 PolarHBondContact O-N 3.18Å
6P70.1Confident74Confident93 Ų93110.3 Ų110.360%0.60460%0.597SS**PPolyproline II helixtrans-54137.5178.7-19.329.6000110.6Y8P6-Y8 HydrophobicContact CB-CE1 4.32Å; P6-Y8 HydrophobicContact CB-CE2 3.91Å; P6-Y8 HydrophobicContact CG-CE2 4.44Å; P6-Y8 WeakPolarHBondContact O-CD2 3.48Å; P6-Y8 WeakPolarHBondContact O-CE2 3.47Å
7S73.6Confident75Confident68 Ų68111.8 Ų111.848%0.47660%0.597SS.*PPolyproline II helixtrans-77.5136.3174.8-64.70000109.4G5G5-S7 PolarHBondContact O-N 3.18Å
8Y82.9Confident75.7Confident169 Ų169107.4 Ų107.466%0.66357%0.573SS**  trans-124.7159.5-179.2-60.3-79.1000111.5P6 S11P6-Y8 HydrophobicContact CB-CE1 4.32Å; P6-Y8 HydrophobicContact CB-CE2 3.91Å; P6-Y8 HydrophobicContact CG-CE2 4.44Å; P6-Y8 WeakPolarHBondContact O-CD2 3.48Å; P6-Y8 WeakPolarHBondContact O-CE2 3.47Å; Y8-S11 PolarHBondContact O-N 3.05Å
9G89.8Confident76.3Confident49 Ų49104.6 Ų104.651%0.50556%0.558SS.*THydrogen-bonded Turntrans58.8-135.717800000113S11 R12 E13G9-S11 PolarHBondContact O-N 3.06Å; G9-S11 VanDerWaalsContact O-N 3.11Å; G9-R12 WeakPolarHBondContact O-CB 3.5Å; G9-R12 PolarHBondContact O-N 3.22Å; G9-E13 PolarHBondContact O-N 3.25Å; G9-E13 VanDerWaalsContact O-N 3.15Å
10L86.9Confident77.1Confident125 Ų125107.2 Ų107.265%0.65457%0.567SS**Hα-helixtrans-52.8-36-178.5-178.662.7000113.5R12 E13 V14L10-R12 VanDerWaalsContact C-N 3.31Å; L10-R12 PolarHBondContact O-N 3.19Å; L10-E13 WeakPolarHBondContact CA-OE2 3.3Å; L10-E13 PolarHBondContact O-N 2.96Å; L10-V14 HydrophobicContact CD1-CG2 4.29Å; L10-V14 HydrophobicContact CG-CG2 4.45Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.15Å; L10-V14 PolarHBondContact O-N 3.09Å
11S84.8Confident77.9Confident77 Ų77107.8 Ų107.854%0.53857%0.565SS.*Hα-helixtrans-65.9-35.5179.3-63.40000112.1Y8 G9 Q15Y8-S11 PolarHBondContact O-N 3.05Å; G9-S11 PolarHBondContact O-N 3.06Å; G9-S11 VanDerWaalsContact O-N 3.11Å; S11-Q15 PolarHBondContact O-N 3.22Å; S11-Q15 VanDerWaalsContact O-N 3.14Å
12R86.8Confident80.2Confident141 Ų14198.7 Ų98.753%0.53252%0.519SS..Hα-helixtrans-70.8-44.7175.3-177179.5160.2168.3-3.6111.1G9 L10 V14 Q15 E16G9-R12 WeakPolarHBondContact O-CB 3.5Å; G9-R12 PolarHBondContact O-N 3.22Å; L10-R12 VanDerWaalsContact C-N 3.31Å; L10-R12 PolarHBondContact O-N 3.19Å; R12-V14 VanDerWaalsContact C-N 3.29Å; R12-V14 PolarHBondContact O-N 3.16Å; R12-Q15 PolarHBondContact O-N 3.01Å; R12-Q15 VanDerWaalsContact O-N 3.14Å; R12-E16 HydrophobicContact CG-CG 4.43Å; R12-E16 IonicContact CZ-OE1 3.71Å; R12-E16 IonicContact NE-OE1 2.8Å; R12-E16 PolarHBondContact NE-OE1 2.81Å; R12-E16 IonicContact NH2-OE1 2.75Å; R12-E16 PolarHBondContact NH2-OE1 2.89Å; R12-E16 VanDerWaalsContact NH2-OE1 3.08Å; R12-E16 WeakPolarHBondContact O-CG 3.38Å; R12-E16 PolarHBondContact O-N 2.67Å
13E89.2Confident82.6Confident109 Ų10998.8 Ų98.851%0.50951%0.506SS..Hα-helixtrans-61.9-38.4178.7-65.4175.997.800111.9G9 L10 K17G9-E13 PolarHBondContact O-N 3.25Å; G9-E13 VanDerWaalsContact O-N 3.15Å; L10-E13 WeakPolarHBondContact CA-OE2 3.3Å; L10-E13 PolarHBondContact O-N 2.96Å; E13-K17 WeakPolarHBondContact O-CG 3.3Å; E13-K17 PolarHBondContact O-N 3.47Å
14V87.9Confident84.9Confident73 Ų7396.1 Ų96.144%0.44249%0.491SS..Hα-helixtrans-64.1-45.3173.5170.30000110.8L10 R12 K17 I18L10-V14 HydrophobicContact CD1-CG2 4.29Å; L10-V14 HydrophobicContact CG-CG2 4.45Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.15Å; L10-V14 PolarHBondContact O-N 3.09Å; R12-V14 VanDerWaalsContact C-N 3.29Å; R12-V14 PolarHBondContact O-N 3.16Å; V14-K17 PolarHBondContact O-N 2.85Å; V14-I18 HydrophobicContact CG1-CD1 3.95Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.35Å
15Q86.3Confident86.4Confident58 Ų5893.4 Ų93.427%0.27149%0.491SS..Hα-helixtrans-62.7-42.8177.4-170.662.556.500111.8S11 R12 K17 I18 D19 K120S11-Q15 PolarHBondContact O-N 3.22Å; S11-Q15 VanDerWaalsContact O-N 3.14Å; R12-Q15 PolarHBondContact O-N 3.01Å; R12-Q15 VanDerWaalsContact O-N 3.14Å; Q15-K17 VanDerWaalsContact C-N 3.31Å; Q15-K17 PolarHBondContact O-N 3.34Å; Q15-I18 WeakPolarHBondContact O-CB 3.27Å; Q15-I18 PolarHBondContact O-N 3.29Å; Q15-I18 VanDerWaalsContact O-N 3.12Å; Q15-D19 PolarHBondContact NE2-OD1 3.46Å; Q15-D19 WeakPolarHBondContact O-CB 3.34Å; Q15-D19 VanDerWaalsContact O-CG 3.29Å; Q15-D19 PolarHBondContact O-N 3.04Å; Q15-K120 PolarHBondContact NE2-O 3.04Å
16E89.3Confident87.7Confident82 Ų8292.6 Ų92.638%0.38347%0.474SS..Hα-helixtrans-60.6-40.5176.3-75.2174.8178.400111.5R12 I18 D19 Q20R12-E16 HydrophobicContact CG-CG 4.43Å; R12-E16 IonicContact CZ-OE1 3.71Å; R12-E16 IonicContact NE-OE1 2.8Å; R12-E16 PolarHBondContact NE-OE1 2.81Å; R12-E16 IonicContact NH2-OE1 2.75Å; R12-E16 PolarHBondContact NH2-OE1 2.89Å; R12-E16 VanDerWaalsContact NH2-OE1 3.08Å; R12-E16 WeakPolarHBondContact O-CG 3.38Å; R12-E16 PolarHBondContact O-N 2.67Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 3.12Å; E16-D19 PolarHBondContact O-N 3.27Å; E16-Q20 VanDerWaalsContact O-CG 3.26Å; E16-Q20 WeakPolarHBondContact O-CG 3.38Å; E16-Q20 PolarHBondContact O-N 2.99Å
17K89.9Confident88.8Confident136 Ų13688.6 Ų88.659%0.59145%0.447SS*.Hα-helixtrans-67.2-32.5174.3-75178.6-179.7177.50113.5E13 V14 Q15 K21E13-K17 WeakPolarHBondContact O-CG 3.3Å; E13-K17 PolarHBondContact O-N 3.47Å; V14-K17 PolarHBondContact O-N 2.85Å; Q15-K17 VanDerWaalsContact C-N 3.31Å; Q15-K17 PolarHBondContact O-N 3.34Å; K17-K21 WeakPolarHBondContact O-CG 3.42Å
18I88.5Confident89.7Confident33 Ų3387.3 Ų87.317%0.16944%0.441CS..Hα-helixtrans-68.8-47.3174.1-71166.6000109.2V14 Q15 E16 Q20 K21 D121V14-I18 HydrophobicContact CG1-CD1 3.95Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.35Å; Q15-I18 WeakPolarHBondContact O-CB 3.27Å; Q15-I18 PolarHBondContact O-N 3.29Å; Q15-I18 VanDerWaalsContact O-N 3.12Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 3.12Å; I18-Q20 VanDerWaalsContact C-N 3.26Å; I18-Q20 PolarHBondContact O-N 2.82Å; I18-K21 WeakPolarHBondContact O-CB 3.13Å; I18-K21 PolarHBondContact O-N 3.46Å; I18-D121 HydrophobicContact CG2-CB 3.93Å; I18-D121 VanDerWaalsContact CG2-CG 3.43Å; I18-D121 VanDerWaalsContact CG2-OD1 3.32Å; I18-D121 WeakPolarHBondContact CG2-OD1 3.49Å
19D87.3Confident90.2Very high54 Ų5484 Ų8429%0.28943%0.427SS..Hα-helixtrans-60.7-35.9179.7-749000112Q15 E16 K21 Y22 R49Q15-D19 PolarHBondContact NE2-OD1 3.46Å; Q15-D19 WeakPolarHBondContact O-CB 3.34Å; Q15-D19 VanDerWaalsContact O-CG 3.29Å; Q15-D19 PolarHBondContact O-N 3.04Å; E16-D19 PolarHBondContact O-N 3.27Å; D19-K21 PolarHBondContact O-N 3.27Å; D19-Y22 WeakPolarHBondContact O-CB 3.44Å; D19-Y22 PolarHBondContact O-N 3.35Å; D19-Y22 VanDerWaalsContact O-N 3.1Å; D19-R49 IonicContact OD1-NH1 3.24Å; D19-R49 PolarHBondContact OD1-NH1 3.25Å; D19-R49 IonicContact OD2-CZ 2.71Å; D19-R49 IonicContact OD2-NH1 3.86Å; D19-R49 PolarHBondContact OD2-NH1 2.89Å; D19-R49 IonicContact OD2-NH2 3.95Å
20Q91.6Very high90.4Very high155 Ų15581.7 Ų81.772%0.72440%0.403SS*.THydrogen-bonded Turntrans-63.1-21.6173.8-78.2171.92.500114.2E16 I18 Y22E16-Q20 VanDerWaalsContact O-CG 3.26Å; E16-Q20 WeakPolarHBondContact O-CG 3.38Å; E16-Q20 PolarHBondContact O-N 2.99Å; I18-Q20 VanDerWaalsContact C-N 3.26Å; I18-Q20 PolarHBondContact O-N 2.82Å; Q20-Y22 PolarHBondContact O-N 3.13Å
21K92.9Very high90.8Very high120 Ų12076 Ų7652%0.52237%0.373SS..THydrogen-bonded Turntrans-79.1-8.5176.2-62.9172.2-175.8178.40112.5K17 I18 D19 A123K17-K21 WeakPolarHBondContact O-CG 3.42Å; I18-K21 WeakPolarHBondContact O-CB 3.13Å; I18-K21 PolarHBondContact O-N 3.46Å; D19-K21 PolarHBondContact O-N 3.27Å; K21-A123 HydrophobicContact CB-CB 3.81Å
22Y92.8Very high91.1Very high29 Ų2974.6 Ų74.611%0.11436%0.36CS..  trans-74.4127.5178.1-166.5-94.7000110.5D19 Q20 L24 E27 R49 M122 Q126D19-Y22 WeakPolarHBondContact O-CB 3.44Å; D19-Y22 PolarHBondContact O-N 3.35Å; D19-Y22 VanDerWaalsContact O-N 3.1Å; Q20-Y22 PolarHBondContact O-N 3.13Å; Y22-L24 HydrophobicContact CD1-CD2 4.35Å; Y22-L24 HydrophobicContact CE1-CD2 4.09Å; Y22-E27 HydrophobicContact CE1-CB 4.42Å; Y22-E27 VanDerWaalsContact CE1-OE2 3.23Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.43Å; Y22-E27 VanDerWaalsContact CZ-OE2 3.22Å; Y22-E27 VanDerWaalsContact OH-CD 3.28Å; Y22-E27 WeakPolarHBondContact OH-CG 3.43Å; Y22-E27 PolarHBondContact OH-OE2 3.45Å; Y22-R49 HydrophobicContact CD2-CG 4.44Å; Y22-R49 HydrophobicContact CE1-CB 3.99Å; Y22-R49 HydrophobicContact CE1-CG 4.29Å; Y22-R49 HydrophobicContact CE2-CG 4.11Å; Y22-M122 HydrophobicContact CD2-CB 3.81Å; Y22-M122 HydrophobicContact CE2-CB 3.7Å; Y22-Q126 HydrophobicContact CD2-CG 4.23Å; Y22-Q126 HydrophobicContact CE2-CG 3.77Å
23I93.6Very high91.5Very high87 Ų8767.9 Ų67.945%0.44634%0.335SS..  trans-114.8122.3-175.6-56.2173.2000109D25 L26 E27 Q126I23-D25 HydrophobicContact CG2-CB 4.42Å; I23-L26 HydrophobicContact CB-CB 3.86Å; I23-L26 HydrophobicContact CG2-CB 3.97Å; I23-L26 PolarHBondContact O-N 3.17Å; I23-E27 PolarHBondContact O-N 3.46Å; I23-E27 VanDerWaalsContact O-N 3.13Å; I23-Q126 VanDerWaalsContact N-OE1 3.11Å; I23-Q126 PolarHBondContact O-NE2 3.33Å
24L92.3Very high91.7Very high115 Ų11562.7 Ų62.760%0.60231%0.31SS*.Hα-helixtrans-69.5-41.7-177.6-65.9172.7000112.5Y22 L26 E27 A28Y22-L24 HydrophobicContact CD1-CD2 4.35Å; Y22-L24 HydrophobicContact CE1-CD2 4.09Å; L24-L26 PolarHBondContact O-N 3.03Å; L24-E27 VanDerWaalsContact O-CB 3.3Å; L24-E27 WeakPolarHBondContact O-CB 3.39Å; L24-E27 PolarHBondContact O-N 3.02Å; L24-E27 VanDerWaalsContact O-N 3.12Å; L24-A28 PolarHBondContact O-N 3.36Å; L24-A28 VanDerWaalsContact O-N 3.11Å
25D91.9Very high91.9Very high135 Ų13561 Ų6172%0.72230%0.299SS*.Hα-helixtrans-62.6-34.5176.7-61.4-72.1000112.1I23 R29I23-D25 HydrophobicContact CG2-CB 4.42Å; D25-R29 PolarHBondContact O-N 3.28Å; D25-R29 VanDerWaalsContact O-N 3.17Å
26L92.6Very high92.1Very high37 Ų3762.7 Ų62.719%0.19431%0.309CS..Hα-helixtrans-69-39175.4-174.560.3000111.2I23 L24 R29 L30 Q126I23-L26 HydrophobicContact CB-CB 3.86Å; I23-L26 HydrophobicContact CG2-CB 3.97Å; I23-L26 PolarHBondContact O-N 3.17Å; L24-L26 PolarHBondContact O-N 3.03Å; L26-R29 PolarHBondContact O-N 3.44Å; L26-L30 HydrophobicContact CD1-CD1 4.5Å; L26-L30 HydrophobicContact CD1-CG 4.3Å; L26-L30 HydrophobicContact CG-CD1 4.04Å; L26-L30 HydrophobicContact CG-CG 4.31Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.29Å; L26-Q126 HydrophobicContact CD2-CB 4.01Å
27E94.1Very high92.2Very high9 Ų958.8 Ų58.84%0.04229%0.291CS..Hα-helixtrans-56.4-51.9173.6-175.4-167.1110.200110.8Y22 I23 L24 R29 L30 V31 G48 R49 F52Y22-E27 HydrophobicContact CE1-CB 4.42Å; Y22-E27 VanDerWaalsContact CE1-OE2 3.23Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.43Å; Y22-E27 VanDerWaalsContact CZ-OE2 3.22Å; Y22-E27 VanDerWaalsContact OH-CD 3.28Å; Y22-E27 WeakPolarHBondContact OH-CG 3.43Å; Y22-E27 PolarHBondContact OH-OE2 3.45Å; I23-E27 PolarHBondContact O-N 3.46Å; I23-E27 VanDerWaalsContact O-N 3.13Å; L24-E27 VanDerWaalsContact O-CB 3.3Å; L24-E27 WeakPolarHBondContact O-CB 3.39Å; L24-E27 PolarHBondContact O-N 3.02Å; L24-E27 VanDerWaalsContact O-N 3.12Å; E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 3.45Å; E27-L30 PolarHBondContact O-N 2.93Å; E27-L30 VanDerWaalsContact O-N 3.16Å; E27-V31 WeakPolarHBondContact O-CG2 3.29Å; E27-V31 PolarHBondContact O-N 2.92Å; E27-G48 PolarHBondContact OE1-N 3.17Å; E27-G48 VanDerWaalsContact OE2-C 3.31Å; E27-R49 PolarHBondContact OE2-N 2.94Å; E27-F52 HydrophobicContact CG-CB 4.09Å; E27-F52 HydrophobicContact CG-CD1 4.33Å; E27-F52 HydrophobicContact CG-CD2 3.86Å; E27-F52 HydrophobicContact CG-CE2 4.36Å; E27-F52 HydrophobicContact CG-CG 3.84Å
28A93.1Very high92.2Very high41 Ų4153.6 Ų53.634%0.33927%0.27SS..Hα-helixtrans-57.6-47.2-179.100000111.6L24 L30 V31 D32L24-A28 PolarHBondContact O-N 3.36Å; L24-A28 VanDerWaalsContact O-N 3.11Å; A28-L30 PolarHBondContact O-N 3.13Å; A28-V31 PolarHBondContact O-N 3.47Å; A28-D32 PolarHBondContact O-N 3.25Å
29R93.3Very high91.9Very high99 Ų9953.2 Ų53.237%0.37428%0.275SS..Hα-helixtrans-61.2-42.6176.5-174.3-174.2-63.8-172.11.1112.7D25 L26 E27 D32 W33 W150D25-R29 PolarHBondContact O-N 3.28Å; D25-R29 VanDerWaalsContact O-N 3.17Å; L26-R29 PolarHBondContact O-N 3.44Å; E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 3.45Å; R29-D32 PolarHBondContact O-N 2.75Å; R29-W33 WeakPolarHBondContact O-CB 3.4Å; R29-W33 PolarHBondContact O-N 2.91Å; R29-W150 WeakPolarHBondContact CD-O 3.49Å; R29-W150 HydrophobicContact CG-CB 3.99Å; R29-W150 HydrophobicContact CG-CD2 4.16Å; R29-W150 HydrophobicContact CG-CG 3.81Å; R29-W150 PolarHBondContact NH1-O 3.22Å
30L94Very high91.3Very high0 Ų054.1 Ų54.10%030%0.297CS..Hα-helixtrans-65.2-40177.8-73.6174.8000111.5L26 E27 A28 W33 I34 Q126 L129 F151L26-L30 HydrophobicContact CD1-CD1 4.5Å; L26-L30 HydrophobicContact CD1-CG 4.3Å; L26-L30 HydrophobicContact CG-CD1 4.04Å; L26-L30 HydrophobicContact CG-CG 4.31Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.29Å; E27-L30 PolarHBondContact O-N 2.93Å; E27-L30 VanDerWaalsContact O-N 3.16Å; A28-L30 PolarHBondContact O-N 3.13Å; L30-W33 HydrophobicContact CD2-CE3 4.22Å; L30-W33 PolarHBondContact O-N 3.33Å; L30-I34 WeakPolarHBondContact O-CB 3.35Å; L30-I34 WeakPolarHBondContact O-CD1 3.34Å; L30-I34 WeakPolarHBondContact O-CG1 3.32Å; L30-I34 PolarHBondContact O-N 3.32Å; L30-Q126 HydrophobicContact CD1-CB 3.96Å; L30-Q126 HydrophobicContact CD1-CG 4.02Å; L30-L129 HydrophobicContact CD1-CB 4.15Å; L30-L129 HydrophobicContact CD1-CD1 4.37Å; L30-L129 HydrophobicContact CD2-CB 3.79Å; L30-F151 HydrophobicContact CD2-CE1 3.82Å; L30-F151 HydrophobicContact CD2-CZ 4.06Å
31V93.9Very high90.3Very high5 Ų554.9 Ų54.93%0.0331%0.306CS..Hα-helixtrans-61-49.6175169.80000110.5E27 A28 W33 I34 I35 R44 P45 F52 W55E27-V31 WeakPolarHBondContact O-CG2 3.29Å; E27-V31 PolarHBondContact O-N 2.92Å; A28-V31 PolarHBondContact O-N 3.47Å; V31-W33 VanDerWaalsContact C-N 3.32Å; V31-W33 PolarHBondContact O-N 3.24Å; V31-I34 PolarHBondContact O-N 3.39Å; V31-I35 HydrophobicContact CG1-CD1 3.76Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.43Å; V31-I35 PolarHBondContact O-N 2.65Å; V31-R44 HydrophobicContact CG1-CG 3.95Å; V31-P45 HydrophobicContact CG1-CG 4.04Å; V31-P45 HydrophobicContact CG2-CG 4.01Å; V31-F52 HydrophobicContact CG2-CD2 3.59Å; V31-F52 HydrophobicContact CG2-CE2 3.61Å; V31-W55 HydrophobicContact CG1-CH2 4.28Å; V31-W55 HydrophobicContact CG2-CZ3 4.01Å
32D93Very high89.9Confident49 Ų4950.5 Ų50.526%0.26229%0.288SS..Hα-helixtrans-60.6-42.3178.7-72.6-38000111.4A28 R29 L36 R44 W150A28-D32 PolarHBondContact O-N 3.25Å; R29-D32 PolarHBondContact O-N 2.75Å; D32-L36 WeakPolarHBondContact O-CG 3.5Å; D32-L36 PolarHBondContact O-N 3.47Å; D32-L36 VanDerWaalsContact O-N 3.12Å; D32-R44 IonicContact OD1-CZ 3.8Å; D32-R44 IonicContact OD1-NH1 2.96Å; D32-R44 PolarHBondContact OD1-NH1 3.48Å; D32-R44 IonicContact OD1-NH2 3.75Å; D32-R44 PolarHBondContact OD1-NH2 2.93Å; D32-R44 IonicContact OD2-CZ 3.01Å; D32-R44 IonicContact OD2-NH1 3.09Å; D32-R44 IonicContact OD2-NH2 3.2Å; D32-R44 PolarHBondContact OD2-NH2 3.11Å; D32-R44 VanDerWaalsContact OD2-NH2 3.11Å; D32-W150 HydrophobicContact CB-CH2 3.94Å; D32-W150 HydrophobicContact CB-CZ2 4.4Å
33W93.4Very high89.5Confident0 Ų056.8 Ų56.80%032%0.318CS..Hα-helixtrans-62.2-48.4174.3177.155.3000113.6R29 L30 V31 I35 L36 Q37 L65 L129 L132 Y144 W150 F151R29-W33 WeakPolarHBondContact O-CB 3.4Å; R29-W33 PolarHBondContact O-N 2.91Å; L30-W33 HydrophobicContact CD2-CE3 4.22Å; L30-W33 PolarHBondContact O-N 3.33Å; V31-W33 VanDerWaalsContact C-N 3.32Å; V31-W33 PolarHBondContact O-N 3.24Å; W33-I35 VanDerWaalsContact C-N 3.29Å; W33-I35 PolarHBondContact O-N 2.84Å; W33-L36 PolarHBondContact O-N 3.33Å; W33-Q37 HydrophobicContact CZ2-CG 4.32Å; W33-Q37 WeakPolarHBondContact O-CB 3.41Å; W33-Q37 PolarHBondContact O-N 2.91Å; W33-L65 HydrophobicContact CH2-CD1 4.22Å; W33-L65 HydrophobicContact CH2-CD2 4.26Å; W33-L65 HydrophobicContact CZ2-CD1 4.4Å; W33-L65 HydrophobicContact CZ3-CD1 4.37Å; W33-L65 HydrophobicContact CZ3-CD2 4.06Å; W33-L129 WeakPolarHBondContact CZ3-O 3.14Å; W33-L132 HydrophobicContact CH2-CB 4.35Å; W33-L132 HydrophobicContact CH2-CD2 4.26Å; W33-L132 HydrophobicContact CH2-CG 4.15Å; W33-Y144 AromaticContact CD1-CE2 3.95Å; W33-Y144 AromaticContact CE2-CE2 3.89Å; W33-Y144 HydrophobicContact CZ2-CE2 4.25Å; W33-Y144 AromaticContact NE1-CD2 3.86Å; W33-Y144 AromaticContact NE1-CE2 3.19Å; W33-Y144 AromaticContact NE1-CZ 3.82Å; W33-W150 VanDerWaalsContact CA-CZ3 3.5Å; W33-W150 HydrophobicContact CB-CE3 3.73Å; W33-W150 HydrophobicContact CB-CZ3 3.79Å; W33-W150 HydrophobicContact CG-CE3 4.3Å; W33-F151 HydrophobicContact CB-CE2 4.12Å; W33-F151 HydrophobicContact CB-CZ 3.99Å; W33-F151 AromaticContact CD1-CE2 3.74Å; W33-F151 AromaticContact CD2-CE2 3.5Å; W33-F151 HydrophobicContact CD2-CE2 3.5Å; W33-F151 AromaticContact CD2-CZ 3.45Å; W33-F151 HydrophobicContact CD2-CZ 3.45Å; W33-F151 VanDerWaalsContact CD2-CZ 3.45Å; W33-F151 AromaticContact CE2-CE2 3.75Å; W33-F151 HydrophobicContact CE3-CE1 4.47Å; W33-F151 HydrophobicContact CE3-CE2 4.04Å; W33-F151 AromaticContact CE3-CZ 3.52Å; W33-F151 HydrophobicContact CE3-CZ 3.52Å; W33-F151 AromaticContact CG-CE2 3.5Å; W33-F151 HydrophobicContact CG-CE2 3.5Å; W33-F151 VanDerWaalsContact CG-CE2 3.5Å; W33-F151 AromaticContact CG-CZ 3.66Å; W33-F151 HydrophobicContact CG-CZ 3.66Å; W33-F151 HydrophobicContact CZ2-CE2 4.45Å; W33-F151 HydrophobicContact CZ3-CZ 4.19Å; W33-F151 AromaticContact NE1-CE2 3.89Å
34I93.4Very high89.2Confident0 Ų059.6 Ų59.60%032%0.323CS..Hα-helixtrans-60.7-41.6-179-70.3165.2000110.8L30 V31 Q37 V38 W55 L56 I61 L65 L129L30-I34 WeakPolarHBondContact O-CB 3.35Å; L30-I34 WeakPolarHBondContact O-CD1 3.34Å; L30-I34 WeakPolarHBondContact O-CG1 3.32Å; L30-I34 PolarHBondContact O-N 3.32Å; V31-I34 PolarHBondContact O-N 3.39Å; I34-Q37 PolarHBondContact O-N 3.03Å; I34-V38 HydrophobicContact CG2-CG2 4.17Å; I34-V38 WeakPolarHBondContact O-CB 3.41Å; I34-V38 VanDerWaalsContact O-CG2 3.31Å; I34-V38 WeakPolarHBondContact O-CG2 3.39Å; I34-V38 PolarHBondContact O-N 3.16Å; I34-W55 HydrophobicContact CB-CH2 3.97Å; I34-W55 HydrophobicContact CB-CZ3 4.44Å; I34-W55 HydrophobicContact CD1-CH2 4.39Å; I34-W55 HydrophobicContact CD1-CZ3 4Å; I34-W55 HydrophobicContact CG2-CH2 3.63Å; I34-W55 HydrophobicContact CG2-CZ2 4.36Å; I34-W55 HydrophobicContact CG2-CZ3 4.23Å; I34-L56 HydrophobicContact CD1-CD2 4.44Å; I34-I61 HydrophobicContact CG2-CG2 3.5Å; I34-I61 VanDerWaalsContact CG2-CG2 3.5Å; I34-L65 HydrophobicContact CG1-CD1 4.17Å; I34-L65 HydrophobicContact CG1-CD2 4Å; I34-L129 HydrophobicContact CD1-CD1 4.16Å
35I92.7Very high89.1Confident38 Ų3855.1 Ų55.120%0.19530%0.301CS..Hα-helixtrans-63-47.3178.7-67.9167.3000110.7V31 W33 G39 I42 R44 W55V31-I35 HydrophobicContact CG1-CD1 3.76Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.43Å; V31-I35 PolarHBondContact O-N 2.65Å; W33-I35 VanDerWaalsContact C-N 3.29Å; W33-I35 PolarHBondContact O-N 2.84Å; I35-G39 WeakPolarHBondContact O-CA 3.17Å; I35-G39 PolarHBondContact O-N 3.06Å; I35-I42 HydrophobicContact CG1-CG2 4.5Å; I35-R44 HydrophobicContact CD1-CB 3.94Å; I35-R44 HydrophobicContact CD1-CG 4.02Å; I35-W55 HydrophobicContact CG1-CH2 4.37Å; I35-W55 HydrophobicContact CG1-CZ2 4.3Å
36L91.5Very high89Confident93 Ų9355.4 Ų55.449%0.48730%0.298SS..Hα-helixtrans-67.5-39.2178.4-70.6-176.7000113D32 W33 W150D32-L36 WeakPolarHBondContact O-CG 3.5Å; D32-L36 PolarHBondContact O-N 3.47Å; D32-L36 VanDerWaalsContact O-N 3.12Å; W33-L36 PolarHBondContact O-N 3.33Å; L36-W150 HydrophobicContact CD1-CH2 3.48Å; L36-W150 VanDerWaalsContact CD1-CH2 3.48Å; L36-W150 HydrophobicContact CD1-CZ3 3.81Å
37Q90.6Very high88.9Confident0 Ų059.1 Ų59.10%032%0.324CS..Hα-helixtrans-72-50.2-175-176.660.552.100111.8W33 I34 L65 S68 L69 Q143 R145W33-Q37 HydrophobicContact CZ2-CG 4.32Å; W33-Q37 WeakPolarHBondContact O-CB 3.41Å; W33-Q37 PolarHBondContact O-N 2.91Å; I34-Q37 PolarHBondContact O-N 3.03Å; Q37-L65 HydrophobicContact CB-CD1 3.89Å; Q37-L65 HydrophobicContact CG-CD1 3.63Å; Q37-S68 WeakPolarHBondContact CG-OG 3.2Å; Q37-S68 PolarHBondContact NE2-O 3.09Å; Q37-S68 PolarHBondContact NE2-OG 2.67Å; Q37-S68 PolarHBondContact O-OG 3.47Å; Q37-L69 HydrophobicContact CG-CD2 4.15Å; Q37-Q143 PolarHBondContact NE2-O 2.86Å; Q37-Q143 VanDerWaalsContact NE2-O 3.07Å; Q37-R145 PolarHBondContact OE1-O 3.39Å; Q37-R145 VanDerWaalsContact OE1-O 3.13Å
38V90Very high88.6Confident26 Ų2659.7 Ų59.716%0.15833%0.333CS..Hα-helixtrans-69.8-40.7177.5-178.30000110.6I34 I42 R64 L65I34-V38 HydrophobicContact CG2-CG2 4.17Å; I34-V38 WeakPolarHBondContact O-CB 3.41Å; I34-V38 VanDerWaalsContact O-CG2 3.31Å; I34-V38 WeakPolarHBondContact O-CG2 3.39Å; I34-V38 PolarHBondContact O-N 3.16Å; V38-I42 HydrophobicContact CB-CD1 3.71Å; V38-I42 HydrophobicContact CG1-CD1 3.57Å; V38-I42 HydrophobicContact CG2-CD1 4.42Å; V38-R64 HydrophobicContact CG1-CB 3.66Å; V38-R64 HydrophobicContact CG2-CB 4.34Å; V38-L65 HydrophobicContact CG2-CB 3.94Å; V38-L65 HydrophobicContact CG2-CD1 4.05Å
39G80.9Confident88.4Confident26 Ų2662 Ų6227%0.26833%0.333SS..  trans66.1176-170.700000113.3I35I35-G39 WeakPolarHBondContact O-CA 3.17Å; I35-G39 PolarHBondContact O-N 3.06Å
40G76.8Confident88.3Confident73 Ų7362.7 Ų62.775%0.75334%0.343SS*.SBendtrans89.5-175.9-179.400000114.2I42G40-I42 PolarHBondContact O-N 3.01Å
41N70Confident88.2Confident171 Ų17165.6 Ų65.691%0.91436%0.358SS*.SBendtrans-80.765.2-175.8-156.527.6000110.9
42I83.8Confident88.2Confident28 Ų2865.3 Ų65.314%0.14436%0.357CS..PPolyproline II helixtrans-91.1120.9174.3-58.3177.6000108I35 V38 G40 R44 W55I35-I42 HydrophobicContact CG1-CG2 4.5Å; V38-I42 HydrophobicContact CB-CD1 3.71Å; V38-I42 HydrophobicContact CG1-CD1 3.57Å; V38-I42 HydrophobicContact CG2-CD1 4.42Å; G40-I42 PolarHBondContact O-N 3.01Å; I42-R44 PolarHBondContact O-N 2.83Å; I42-W55 HydrophobicContact CG2-CZ2 3.65Å
43E84.5Confident88.3Confident161 Ų16164 Ų6475%0.75235%0.349SS*.PPolyproline II helixtrans-69129173.1-67.1-178.9173.400109.8W55E43-W55 PolarHBondContact O-NE1 3.23Å
44R87.9Confident88.2Confident145 Ų14567.9 Ų67.955%0.54738%0.376SS..PPolyproline II helixtrans-66124.2173.9-175.3179.6-172.6129.711.1108.3V31 D32 I35 I42V31-R44 HydrophobicContact CG1-CG 3.95Å; D32-R44 IonicContact OD1-CZ 3.8Å; D32-R44 IonicContact OD1-NH1 2.96Å; D32-R44 PolarHBondContact OD1-NH1 3.48Å; D32-R44 IonicContact OD1-NH2 3.75Å; D32-R44 PolarHBondContact OD1-NH2 2.93Å; D32-R44 IonicContact OD2-CZ 3.01Å; D32-R44 IonicContact OD2-NH1 3.09Å; D32-R44 IonicContact OD2-NH2 3.2Å; D32-R44 PolarHBondContact OD2-NH2 3.11Å; D32-R44 VanDerWaalsContact OD2-NH2 3.11Å; I35-R44 HydrophobicContact CD1-CB 3.94Å; I35-R44 HydrophobicContact CD1-CG 4.02Å; I42-R44 PolarHBondContact O-N 2.83Å
45P90.3Very high88.3Confident21 Ų2169.7 Ų69.714%0.13638%0.383CS..PPolyproline II helixtrans-66.4151.4175.530.3-36000110.2V31 W55V31-P45 HydrophobicContact CG1-CG 4.04Å; V31-P45 HydrophobicContact CG2-CG 4.01Å; P45-W55 HydrophobicContact CB-CB 4.05Å; P45-W55 HydrophobicContact CB-CD2 4.2Å; P45-W55 HydrophobicContact CB-CG 3.95Å; P45-W55 HydrophobicContact CG-CB 4.4Å; P45-W55 HydrophobicContact CG-CD2 3.67Å; P45-W55 HydrophobicContact CG-CE3 3.8Å; P45-W55 HydrophobicContact CG-CG 3.98Å; P45-W55 HydrophobicContact CG-CZ2 4.43Å; P45-W55 HydrophobicContact CG-CZ3 4.24Å
46E89.9Confident88.3Confident141 Ų14167.9 Ų67.966%0.65937%0.374SS*.PPolyproline II helixtrans-59.9143.8167.4-69-174160.300110.2G48 N51E46-G48 PolarHBondContact O-N 3.38Å; E46-N51 HydrophobicContact CB-CB 4.45Å; E46-N51 WeakPolarHBondContact CB-ND2 3.38Å; E46-N51 WeakPolarHBondContact O-CB 3.31Å
47P89.3Confident88.3Confident116 Ų11666.3 Ų66.375%0.75336%0.363SS*.SBendtrans-55.8142.3176.9-24.133.5000111.8N51P47-N51 PolarHBondContact O-ND2 2.71Å
48G89Confident88.3Confident21 Ų2168.1 Ų68.122%0.21637%0.373CS..SBendtrans126.8146172.200000113.4E27 E46 L50 N51 F52E27-G48 PolarHBondContact OE1-N 3.17Å; E27-G48 VanDerWaalsContact OE2-C 3.31Å; E46-G48 PolarHBondContact O-N 3.38Å; G48-L50 VanDerWaalsContact C-N 3.3Å; G48-L50 PolarHBondContact O-N 3.42Å; G48-L50 VanDerWaalsContact O-N 3.14Å; G48-N51 PolarHBondContact O-N 3.42Å; G48-F52 PolarHBondContact O-N 2.98Å
49R89.1Confident88.4Confident90 Ų9066.9 Ų66.934%0.3437%0.365SS..Hα-helixtrans-49.9-44.4-175.1-173.9-179.873.2177.64.1114.3D19 Y22 E27 Q53 M122D19-R49 IonicContact OD1-NH1 3.24Å; D19-R49 PolarHBondContact OD1-NH1 3.25Å; D19-R49 IonicContact OD2-CZ 2.71Å; D19-R49 IonicContact OD2-NH1 3.86Å; D19-R49 PolarHBondContact OD2-NH1 2.89Å; D19-R49 IonicContact OD2-NH2 3.95Å; Y22-R49 HydrophobicContact CD2-CG 4.44Å; Y22-R49 HydrophobicContact CE1-CB 3.99Å; Y22-R49 HydrophobicContact CE1-CG 4.29Å; Y22-R49 HydrophobicContact CE2-CG 4.11Å; E27-R49 PolarHBondContact OE2-N 2.94Å; R49-Q53 VanDerWaalsContact O-CB 3.31Å; R49-Q53 WeakPolarHBondContact O-CB 3.37Å; R49-Q53 PolarHBondContact O-N 2.99Å; R49-M122 HydrophobicContact CG-CB 4.07Å; R49-M122 HydrophobicContact CG-CG 3.96Å
50L90.3Very high88.9Confident112 Ų11266.4 Ų66.459%0.58636%0.357SS*.Hα-helixtrans-70.6-36.1-177-65.3176.2000112.6G48 S54G48-L50 VanDerWaalsContact C-N 3.3Å; G48-L50 PolarHBondContact O-N 3.42Å; G48-L50 VanDerWaalsContact O-N 3.14Å; L50-S54 WeakPolarHBondContact O-CB 3.26Å; L50-S54 PolarHBondContact O-N 3.46Å; L50-S54 PolarHBondContact O-OG 3.44Å
51N92.6Very high89.7Confident61 Ų6163.5 Ų63.533%0.32632%0.324SS..Hα-helixtrans-72.6-45.5177.9-67.8-29.1000110E46 P47 G48 Q53 S54 W55E46-N51 HydrophobicContact CB-CB 4.45Å; E46-N51 WeakPolarHBondContact CB-ND2 3.38Å; E46-N51 WeakPolarHBondContact O-CB 3.31Å; P47-N51 PolarHBondContact O-ND2 2.71Å; G48-N51 PolarHBondContact O-N 3.42Å; N51-Q53 VanDerWaalsContact C-N 3.32Å; N51-Q53 PolarHBondContact O-N 3.42Å; N51-S54 PolarHBondContact O-N 2.91Å; N51-W55 WeakPolarHBondContact O-CB 3.33Å; N51-W55 PolarHBondContact O-N 3.42Å
52F93.6Very high90.8Very high0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-58.2-43.6173.7-173.9-109.3000112.1E27 V31 G48 W55 L56 M122 L129E27-F52 HydrophobicContact CG-CB 4.09Å; E27-F52 HydrophobicContact CG-CD1 4.33Å; E27-F52 HydrophobicContact CG-CD2 3.86Å; E27-F52 HydrophobicContact CG-CE2 4.36Å; E27-F52 HydrophobicContact CG-CG 3.84Å; V31-F52 HydrophobicContact CG2-CD2 3.59Å; V31-F52 HydrophobicContact CG2-CE2 3.61Å; G48-F52 PolarHBondContact O-N 2.98Å; F52-W55 HydrophobicContact CD2-CE3 4.05Å; F52-W55 HydrophobicContact CD2-CZ3 4.31Å; F52-W55 HydrophobicContact CE2-CE3 4.11Å; F52-W55 AromaticContact CE2-CZ3 4Å; F52-W55 HydrophobicContact CE2-CZ3 4Å; F52-W55 PolarHBondContact O-N 3.31Å; F52-L56 HydrophobicContact CD1-CD1 4.24Å; F52-L56 HydrophobicContact CE1-CD1 3.61Å; F52-L56 HydrophobicContact CE2-CD1 3.92Å; F52-L56 HydrophobicContact CZ-CD1 3.44Å; F52-L56 VanDerWaalsContact CZ-CD1 3.44Å; F52-L56 HydrophobicContact CZ-CG 4.46Å; F52-L56 PolarHBondContact O-N 3.05Å; F52-M122 HydrophobicContact CD1-CE 3.75Å; F52-M122 HydrophobicContact CE1-CE 4.23Å; F52-L129 HydrophobicContact CZ-CD1 4.02Å
53Q94.1Very high91.3Very high21 Ų2154 Ų5410%0.09827%0.274CS..Hα-helixtrans-59.8-53.4173.2-175.3-169.2-3.800111.3R49 N51 W55 L56 K57 L116 W117 G119 M122R49-Q53 VanDerWaalsContact O-CB 3.31Å; R49-Q53 WeakPolarHBondContact O-CB 3.37Å; R49-Q53 PolarHBondContact O-N 2.99Å; N51-Q53 VanDerWaalsContact C-N 3.32Å; N51-Q53 PolarHBondContact O-N 3.42Å; Q53-W55 PolarHBondContact O-N 2.78Å; Q53-L56 PolarHBondContact O-N 3.29Å; Q53-L56 VanDerWaalsContact O-N 3.17Å; Q53-K57 WeakPolarHBondContact O-CB 3.49Å; Q53-K57 PolarHBondContact O-N 3.28Å; Q53-L116 HydrophobicContact CG-CD1 4.38Å; Q53-L116 VanDerWaalsContact CG-O 3.29Å; Q53-L116 WeakPolarHBondContact CG-O 3.43Å; Q53-L116 PolarHBondContact NE2-O 2.88Å; Q53-W117 PolarHBondContact NE2-O 2.88Å; Q53-G119 VanDerWaalsContact NE2-N 3.13Å; Q53-M122 HydrophobicContact CB-CE 3.79Å; Q53-M122 HydrophobicContact CB-SD 3.89Å; Q53-M122 HydrophobicContact CG-CE 4.23Å; Q53-M122 HydrophobicContact CG-SD 3.77Å
54S93Very high91.7Very high82 Ų8251.1 Ų51.157%0.57326%0.256SS*.Hα-helixtrans-57.7-37.6-178.4-63.60000112.4L50 N51L50-S54 WeakPolarHBondContact O-CB 3.26Å; L50-S54 PolarHBondContact O-N 3.46Å; L50-S54 PolarHBondContact O-OG 3.44Å; N51-S54 PolarHBondContact O-N 2.91Å
55W93.7Very high92Very high38 Ų3844.2 Ų44.214%0.14423%0.23CC..Hα-helixtrans-64.3-43.1177.8-174.761.7000112.6V31 I34 I35 I42 E43 P45 N51 F52 Q53 I61V31-W55 HydrophobicContact CG1-CH2 4.28Å; V31-W55 HydrophobicContact CG2-CZ3 4.01Å; I34-W55 HydrophobicContact CB-CH2 3.97Å; I34-W55 HydrophobicContact CB-CZ3 4.44Å; I34-W55 HydrophobicContact CD1-CH2 4.39Å; I34-W55 HydrophobicContact CD1-CZ3 4Å; I34-W55 HydrophobicContact CG2-CH2 3.63Å; I34-W55 HydrophobicContact CG2-CZ2 4.36Å; I34-W55 HydrophobicContact CG2-CZ3 4.23Å; I35-W55 HydrophobicContact CG1-CH2 4.37Å; I35-W55 HydrophobicContact CG1-CZ2 4.3Å; I42-W55 HydrophobicContact CG2-CZ2 3.65Å; E43-W55 PolarHBondContact O-NE1 3.23Å; P45-W55 HydrophobicContact CB-CB 4.05Å; P45-W55 HydrophobicContact CB-CD2 4.2Å; P45-W55 HydrophobicContact CB-CG 3.95Å; P45-W55 HydrophobicContact CG-CB 4.4Å; P45-W55 HydrophobicContact CG-CD2 3.67Å; P45-W55 HydrophobicContact CG-CE3 3.8Å; P45-W55 HydrophobicContact CG-CG 3.98Å; P45-W55 HydrophobicContact CG-CZ2 4.43Å; P45-W55 HydrophobicContact CG-CZ3 4.24Å; N51-W55 WeakPolarHBondContact O-CB 3.33Å; N51-W55 PolarHBondContact O-N 3.42Å; F52-W55 HydrophobicContact CD2-CE3 4.05Å; F52-W55 HydrophobicContact CD2-CZ3 4.31Å; F52-W55 HydrophobicContact CE2-CE3 4.11Å; F52-W55 AromaticContact CE2-CZ3 4Å; F52-W55 HydrophobicContact CE2-CZ3 4Å; F52-W55 PolarHBondContact O-N 3.31Å; Q53-W55 PolarHBondContact O-N 2.78Å; W55-I61 VanDerWaalsContact CD1-CD1 3.5Å; W55-I61 HydrophobicContact CD2-CD1 3.67Å; W55-I61 HydrophobicContact CG-CD1 3.8Å; W55-I61 HydrophobicContact CZ2-CD1 3.92Å; W55-I61 WeakPolarHBondContact O-CD1 3.29Å
56L93.7Very high92.1Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-86.7-16.8-179.7-64-178.9000114I34 F52 Q53 D58 G59 I61 L62 L116 V125 L129I34-L56 HydrophobicContact CD1-CD2 4.44Å; F52-L56 HydrophobicContact CD1-CD1 4.24Å; F52-L56 HydrophobicContact CE1-CD1 3.61Å; F52-L56 HydrophobicContact CE2-CD1 3.92Å; F52-L56 HydrophobicContact CZ-CD1 3.44Å; F52-L56 VanDerWaalsContact CZ-CD1 3.44Å; F52-L56 HydrophobicContact CZ-CG 4.46Å; F52-L56 PolarHBondContact O-N 3.05Å; Q53-L56 PolarHBondContact O-N 3.29Å; Q53-L56 VanDerWaalsContact O-N 3.17Å; L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 3.23Å; L56-G59 PolarHBondContact O-N 2.86Å; L56-I61 HydrophobicContact CD2-CB 4.08Å; L56-I61 HydrophobicContact CD2-CG2 3.86Å; L56-L62 HydrophobicContact CD1-CD2 4.44Å; L56-L62 HydrophobicContact CD2-CD2 4.09Å; L56-L62 HydrophobicContact CD2-CG 4.32Å; L56-L116 HydrophobicContact CB-CD1 3.89Å; L56-L116 HydrophobicContact CB-CD2 4.23Å; L56-V125 HydrophobicContact CD1-CG1 4.32Å; L56-L129 HydrophobicContact CD1-CD1 4.06Å
57K92.3Very high92.3Very high60 Ų6037 Ų3726%0.26120%0.195SC..THydrogen-bonded Turntrans-60.6-29-171.1-177.7166.4179.3159.20114.7Q53 G59 W117Q53-K57 WeakPolarHBondContact O-CB 3.49Å; Q53-K57 PolarHBondContact O-N 3.28Å; K57-G59 PolarHBondContact O-N 3.47Å; K57-W117 WeakPolarHBondContact CE-O 3.46Å; K57-W117 HydrophobicContact CG-CG 4.39Å; K57-W117 PolarHBondContact NZ-O 3.44Å
58D90.3Very high92.4Very high37 Ų3732.4 Ų32.420%0.19817%0.166CC..THydrogen-bonded Turntrans-70.5-19.5176.1-173.269.3000112.7L56 T60 Q89 K92L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 3.23Å; D58-T60 PolarHBondContact O-N 2.97Å; D58-T60 WeakPolarHBondContact OD2-CB 3.39Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.32Å; D58-T60 PolarHBondContact OD2-OG1 3.44Å; D58-Q89 WeakPolarHBondContact OD1-CG 3.33Å; D58-Q89 PolarHBondContact OD1-NE2 3.24Å; D58-K92 WeakPolarHBondContact O-CD 3.21Å; D58-K92 IonicContact OD1-NZ 3.08Å; D58-K92 IonicContact OD2-NZ 3.4Å; D58-K92 PolarHBondContact OD2-NZ 2.96Å; D58-K92 VanDerWaalsContact OD2-NZ 3.08Å
59G90.6Very high92.5Very high0 Ų031.5 Ų31.50%016%0.156CC..SBendtrans76.9-12.4-178.900000114.6L56 K57 I61 L62 C63L56-G59 PolarHBondContact O-N 2.86Å; K57-G59 PolarHBondContact O-N 3.47Å; G59-I61 PolarHBondContact O-N 3.46Å; G59-L62 PolarHBondContact O-N 2.9Å; G59-C63 PolarHBondContact O-N 2.65Å; G59-C63 PolarHBondContact O-SG 2.91Å
60T92.1Very high92.6Very high16 Ų1629.3 Ų29.310%0.09815%0.148CC..Hα-helixtrans-56.7-47.7176.932.80000112.7D58 L62 C63 R64 I80D58-T60 PolarHBondContact O-N 2.97Å; D58-T60 WeakPolarHBondContact OD2-CB 3.39Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.32Å; D58-T60 PolarHBondContact OD2-OG1 3.44Å; T60-L62 VanDerWaalsContact C-N 3.35Å; T60-L62 PolarHBondContact O-N 3.24Å; T60-C63 PolarHBondContact O-N 3.3Å; T60-R64 WeakPolarHBondContact O-CG 3.48Å; T60-R64 PolarHBondContact O-N 3.2Å; T60-I80 HydrophobicContact CG2-CG2 3.56Å
61I93.2Very high92.5Very high13 Ų1326.6 Ų26.67%0.06714%0.137CC..Hα-helixtrans-64.1-42.3-179.1-60.4-177.3000110.8I34 W55 L56 G59 R64 L65I34-I61 HydrophobicContact CG2-CG2 3.5Å; I34-I61 VanDerWaalsContact CG2-CG2 3.5Å; W55-I61 VanDerWaalsContact CD1-CD1 3.5Å; W55-I61 HydrophobicContact CD2-CD1 3.67Å; W55-I61 HydrophobicContact CG-CD1 3.8Å; W55-I61 HydrophobicContact CZ2-CD1 3.92Å; W55-I61 WeakPolarHBondContact O-CD1 3.29Å; L56-I61 HydrophobicContact CD2-CB 4.08Å; L56-I61 HydrophobicContact CD2-CG2 3.86Å; G59-I61 PolarHBondContact O-N 3.46Å; I61-R64 PolarHBondContact O-N 2.94Å; I61-L65 WeakPolarHBondContact O-CB 3.3Å; I61-L65 PolarHBondContact O-N 2.81Å
62L94.3Very high92Very high0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-63.2-44.2177.4-66.5177.8000111.9L56 G59 T60 R64 L65 I66 F96 F111 L116 L129L56-L62 HydrophobicContact CD1-CD2 4.44Å; L56-L62 HydrophobicContact CD2-CD2 4.09Å; L56-L62 HydrophobicContact CD2-CG 4.32Å; G59-L62 PolarHBondContact O-N 2.9Å; T60-L62 VanDerWaalsContact C-N 3.35Å; T60-L62 PolarHBondContact O-N 3.24Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 3.14Å; L62-L65 WeakPolarHBondContact O-CB 3.13Å; L62-L65 PolarHBondContact O-N 3.27Å; L62-I66 PolarHBondContact O-N 3.23Å; L62-F96 HydrophobicContact CB-CB 4.1Å; L62-F96 HydrophobicContact CB-CD1 4.22Å; L62-F96 HydrophobicContact CB-CD2 3.81Å; L62-F96 HydrophobicContact CB-CE2 4.3Å; L62-F96 HydrophobicContact CB-CG 3.76Å; L62-F96 HydrophobicContact CD1-CD1 4.21Å; L62-F96 HydrophobicContact CD2-CE1 4.38Å; L62-F96 HydrophobicContact CD2-CE2 4.44Å; L62-F96 HydrophobicContact CD2-CZ 4.26Å; L62-F96 WeakPolarHBondContact O-CD2 3.35Å; L62-F111 HydrophobicContact CD1-CZ 4.1Å; L62-L116 HydrophobicContact CD1-CD2 3.47Å; L62-L116 VanDerWaalsContact CD1-CD2 3.47Å; L62-L129 HydrophobicContact CD2-CD2 3.86Å
63C94Very high91.4Very high0 Ų032.8 Ų32.80%019%0.194CC..Hα-helixtrans-63-41.1175.8-64.40000112G59 T60 I66 N67 I77 I80 K92G59-C63 PolarHBondContact O-N 2.65Å; G59-C63 PolarHBondContact O-SG 2.91Å; T60-C63 PolarHBondContact O-N 3.3Å; C63-I66 WeakPolarHBondContact O-CG2 3.4Å; C63-N67 WeakPolarHBondContact O-CB 3.36Å; C63-N67 VanDerWaalsContact O-CG 3.24Å; C63-N67 PolarHBondContact O-N 3.1Å; C63-N67 VanDerWaalsContact O-N 3.09Å; C63-I77 HydrophobicContact CB-CD1 3.86Å; C63-I77 HydrophobicContact CB-CG2 4.22Å; C63-I80 HydrophobicContact CB-CD1 3.63Å; C63-I80 HydrophobicContact CB-CG1 3.98Å; C63-I80 HydrophobicContact CB-CG2 4.27Å; C63-K92 PolarHBondContact SG-O 3.26Å; C63-K92 VanDerWaalsContact SG-O 3.41Å
64R92.4Very high91Very high99 Ų9938.3 Ų38.337%0.37422%0.22SC..Hα-helixtrans-66.2-38.7175.3-70178-175.4168.75111.7V38 T60 I61 L62 N67 S68 I80 E82V38-R64 HydrophobicContact CG1-CB 3.66Å; V38-R64 HydrophobicContact CG2-CB 4.34Å; T60-R64 WeakPolarHBondContact O-CG 3.48Å; T60-R64 PolarHBondContact O-N 3.2Å; I61-R64 PolarHBondContact O-N 2.94Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 3.14Å; R64-N67 PolarHBondContact O-N 3.11Å; R64-S68 WeakPolarHBondContact O-CB 3.37Å; R64-S68 PolarHBondContact O-N 3.48Å; R64-I80 HydrophobicContact CG-CD1 3.8Å; R64-E82 IonicContact NH2-OE1 2.65Å
65L93.6Very high90.8Very high0 Ų038.5 Ų38.50%021%0.211CC..Hα-helixtrans-59.8-53.7177.3-179.868.5000111.1W33 I34 Q37 V38 I61 L62 N67 S68 L69 L129 L132W33-L65 HydrophobicContact CH2-CD1 4.22Å; W33-L65 HydrophobicContact CH2-CD2 4.26Å; W33-L65 HydrophobicContact CZ2-CD1 4.4Å; W33-L65 HydrophobicContact CZ3-CD1 4.37Å; W33-L65 HydrophobicContact CZ3-CD2 4.06Å; I34-L65 HydrophobicContact CG1-CD1 4.17Å; I34-L65 HydrophobicContact CG1-CD2 4Å; Q37-L65 HydrophobicContact CB-CD1 3.89Å; Q37-L65 HydrophobicContact CG-CD1 3.63Å; V38-L65 HydrophobicContact CG2-CB 3.94Å; V38-L65 HydrophobicContact CG2-CD1 4.05Å; I61-L65 WeakPolarHBondContact O-CB 3.3Å; I61-L65 PolarHBondContact O-N 2.81Å; L62-L65 WeakPolarHBondContact O-CB 3.13Å; L62-L65 PolarHBondContact O-N 3.27Å; L65-N67 VanDerWaalsContact C-N 3.35Å; L65-N67 PolarHBondContact O-N 3.29Å; L65-S68 PolarHBondContact O-N 3.45Å; L65-S68 PolarHBondContact O-OG 3.38Å; L65-L69 PolarHBondContact O-N 3.44Å; L65-L129 HydrophobicContact CD2-CD2 3.7Å; L65-L132 HydrophobicContact CD2-CD2 4.1Å; L65-L132 HydrophobicContact CG-CD2 4.45Å
66I93.6Very high90.6Very high0 Ų039.2 Ų39.20%022%0.221CC..Hα-helixtrans-64.7-40.8179.9-168.260.6000111.3L62 C63 S68 L69 Y70 P76 I77 F96 A99 Y103 L132L62-I66 PolarHBondContact O-N 3.23Å; C63-I66 WeakPolarHBondContact O-CG2 3.4Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 2.96Å; I66-L69 HydrophobicContact CD1-CD1 4.2Å; I66-L69 WeakPolarHBondContact O-CB 3.32Å; I66-L69 PolarHBondContact O-N 2.76Å; I66-Y70 HydrophobicContact CD1-CE2 4.13Å; I66-Y70 HydrophobicContact CG1-CE2 4.11Å; I66-Y70 VanDerWaalsContact O-CD2 3.29Å; I66-Y70 WeakPolarHBondContact O-CD2 3.46Å; I66-P76 HydrophobicContact CG1-CG 4.26Å; I66-P76 HydrophobicContact CG2-CG 4.37Å; I66-I77 HydrophobicContact CG2-CD1 3.81Å; I66-F96 HydrophobicContact CB-CD2 3.86Å; I66-F96 HydrophobicContact CB-CE2 4.05Å; I66-F96 HydrophobicContact CG2-CD2 3.9Å; I66-A99 HydrophobicContact CG1-CB 3.77Å; I66-A99 HydrophobicContact CG2-CB 4.16Å; I66-Y103 HydrophobicContact CD1-CD2 4.48Å; I66-Y103 HydrophobicContact CD1-CG 4.22Å; I66-L132 HydrophobicContact CD1-CD1 3.86Å; I66-L132 HydrophobicContact CD1-CD2 4.35Å
67N93.6Very high90.4Very high11 Ų1139.7 Ų39.76%0.05922%0.223CC..Hα-helixtrans-59.8-39.5176.2-77.1-0.7000112.4C63 R64 L65 L69 Y70 E75 P76 I77C63-N67 WeakPolarHBondContact O-CB 3.36Å; C63-N67 VanDerWaalsContact O-CG 3.24Å; C63-N67 PolarHBondContact O-N 3.1Å; C63-N67 VanDerWaalsContact O-N 3.09Å; R64-N67 PolarHBondContact O-N 3.11Å; L65-N67 VanDerWaalsContact C-N 3.35Å; L65-N67 PolarHBondContact O-N 3.29Å; N67-L69 PolarHBondContact O-N 3.47Å; N67-L69 VanDerWaalsContact O-N 3.16Å; N67-Y70 PolarHBondContact O-N 3.43Å; N67-E75 HydrophobicContact CB-CB 4.29Å; N67-E75 HydrophobicContact CB-CG 4.1Å; N67-P76 WeakPolarHBondContact OD1-CD 3.37Å; N67-I77 PolarHBondContact ND2-O 3.11Å; N67-I77 WeakPolarHBondContact OD1-CB 3.34Å; N67-I77 PolarHBondContact OD1-N 3.19Å; N67-I77 VanDerWaalsContact OD1-N 3.1Å
68S91.5Very high90Very high20 Ų2045.3 Ų45.314%0.1425%0.248CC..Hα-helixtrans-66.5-13.5178.676.60000113.8Q37 R64 L65 I66 Q143Q37-S68 WeakPolarHBondContact CG-OG 3.2Å; Q37-S68 PolarHBondContact NE2-O 3.09Å; Q37-S68 PolarHBondContact NE2-OG 2.67Å; Q37-S68 PolarHBondContact O-OG 3.47Å; R64-S68 WeakPolarHBondContact O-CB 3.37Å; R64-S68 PolarHBondContact O-N 3.48Å; L65-S68 PolarHBondContact O-N 3.45Å; L65-S68 PolarHBondContact O-OG 3.38Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 2.96Å; S68-Q143 WeakPolarHBondContact O-CG 3.5Å; S68-Q143 PolarHBondContact O-NE2 3.03Å
69L91.1Very high89.8Confident2 Ų251.9 Ų51.91%0.0128%0.275CS..THydrogen-bonded Turntrans-88.6-6174.4-66.3173.3000113Q37 L65 I66 N67 Y103 L132 A136 Q143Q37-L69 HydrophobicContact CG-CD2 4.15Å; L65-L69 PolarHBondContact O-N 3.44Å; I66-L69 HydrophobicContact CD1-CD1 4.2Å; I66-L69 WeakPolarHBondContact O-CB 3.32Å; I66-L69 PolarHBondContact O-N 2.76Å; N67-L69 PolarHBondContact O-N 3.47Å; N67-L69 VanDerWaalsContact O-N 3.16Å; L69-Y103 HydrophobicContact CB-CE2 4.09Å; L69-Y103 HydrophobicContact CD1-CE1 4.39Å; L69-L132 HydrophobicContact CD1-CD1 3.74Å; L69-L132 HydrophobicContact CD1-CD2 3.91Å; L69-L132 HydrophobicContact CD1-CG 3.71Å; L69-A136 HydrophobicContact CD1-CB 4.36Å; L69-A136 HydrophobicContact CD2-CB 3.68Å; L69-Q143 VanDerWaalsContact C-CG 3.45Å; L69-Q143 WeakPolarHBondContact O-CG 3.49Å
70Y90.6Very high89.6Confident43 Ų4353.9 Ų53.917%0.16929%0.285CS..SBendtrans-103.2152.4173.9-75.2-101.1000110.6I66 N67 Q74 P76 Y103I66-Y70 HydrophobicContact CD1-CE2 4.13Å; I66-Y70 HydrophobicContact CG1-CE2 4.11Å; I66-Y70 VanDerWaalsContact O-CD2 3.29Å; I66-Y70 WeakPolarHBondContact O-CD2 3.46Å; N67-Y70 PolarHBondContact O-N 3.43Å; Y70-Q74 HydrophobicContact CD1-CB 4.44Å; Y70-Q74 VanDerWaalsContact CD1-O 3.32Å; Y70-Q74 WeakPolarHBondContact CD1-O 3.32Å; Y70-P76 HydrophobicContact CD2-CG 3.94Å; Y70-P76 HydrophobicContact CE2-CG 3.75Å; Y70-Y103 HydrophobicContact CD2-CD2 4.41Å; Y70-Y103 HydrophobicContact CE1-CD2 4.49Å; Y70-Y103 AromaticContact CE2-CD2 3.58Å; Y70-Y103 HydrophobicContact CE2-CD2 3.58Å; Y70-Y103 HydrophobicContact CE2-CE2 4.17Å; Y70-Y103 HydrophobicContact CE2-CG 4.49Å; Y70-Y103 AromaticContact CZ-CD2 3.64Å
71P87.9Confident89.2Confident55 Ų5556.8 Ų56.836%0.35730%0.304SS..PPolyproline II helixtrans-65.5153.5172.227.3-32.9000110.7G73 Q74P71-G73 PolarHBondContact O-N 3.38Å; P71-Q74 HydrophobicContact CG-CB 4.08Å; P71-Q74 HydrophobicContact CG-CG 4.16Å; P71-Q74 PolarHBondContact O-N 3.1Å
72P83.4Confident88.8Confident119 Ų11963.6 Ų63.677%0.77334%0.336SS*.THydrogen-bonded Turntrans-56.7126.5-178.822.4-32.4000110.8
73G81.3Confident88.4Confident73 Ų7365.3 Ų65.375%0.75335%0.346SS*.THydrogen-bonded Turntrans96-13.3-178.200000115.6P71P71-G73 PolarHBondContact O-N 3.38Å
74Q85.8Confident88.1Confident137 Ų13774.9 Ų74.964%0.6439%0.388SS*.  trans-105.521.6173.2-60.8-171.224.400112.9Y70 P71Y70-Q74 HydrophobicContact CD1-CB 4.44Å; Y70-Q74 VanDerWaalsContact CD1-O 3.32Å; Y70-Q74 WeakPolarHBondContact CD1-O 3.32Å; P71-Q74 HydrophobicContact CG-CB 4.08Å; P71-Q74 HydrophobicContact CG-CG 4.16Å; P71-Q74 PolarHBondContact O-N 3.1Å
75E88.6Confident87.9Confident85 Ų8576.4 Ų76.440%0.39740%0.401SS..  trans-62.4126.8-179.4-63.8176.5172.200111N67 I77N67-E75 HydrophobicContact CB-CB 4.29Å; N67-E75 HydrophobicContact CB-CG 4.1Å; E75-I77 VanDerWaalsContact C-N 3.27Å; E75-I77 PolarHBondContact O-N 3.28Å
76P88.5Confident87.7Confident54 Ų5478.7 Ų78.735%0.35141%0.414SS..SBendtrans-66-31.3178.824.9-33.3000112I66 N67 Y70 A99I66-P76 HydrophobicContact CG1-CG 4.26Å; I66-P76 HydrophobicContact CG2-CG 4.37Å; N67-P76 WeakPolarHBondContact OD1-CD 3.37Å; Y70-P76 HydrophobicContact CD2-CG 3.94Å; Y70-P76 HydrophobicContact CE2-CG 3.75Å; P76-A99 HydrophobicContact CB-CB 3.79Å; P76-A99 HydrophobicContact CG-CB 3.81Å
77I89.8Confident87.5Confident9 Ų985.8 Ų85.85%0.04645%0.445CS..  trans-116.792.9-174.2-53.2176.5000110.3C63 I66 N67 E75 K79 I80 Q95 A99C63-I77 HydrophobicContact CB-CD1 3.86Å; C63-I77 HydrophobicContact CB-CG2 4.22Å; I66-I77 HydrophobicContact CG2-CD1 3.81Å; N67-I77 PolarHBondContact ND2-O 3.11Å; N67-I77 WeakPolarHBondContact OD1-CB 3.34Å; N67-I77 PolarHBondContact OD1-N 3.19Å; N67-I77 VanDerWaalsContact OD1-N 3.1Å; E75-I77 VanDerWaalsContact C-N 3.27Å; E75-I77 PolarHBondContact O-N 3.28Å; I77-K79 PolarHBondContact O-N 3.12Å; I77-I80 HydrophobicContact CG2-CG1 4.04Å; I77-Q95 HydrophobicContact CD1-CB 3.92Å; I77-Q95 HydrophobicContact CG1-CB 4.34Å; I77-A99 HydrophobicContact CD1-CB 4.42Å
78K84.1Confident87.4Confident178 Ų17889.1 Ų89.177%0.77446%0.459SS*.  trans-74.4-24.8-172.9-61.2-177.5-179.6-177.80115.3
79K84.8Confident87.4Confident175 Ų17589.6 Ų89.676%0.76146%0.459SS*.  trans-130.9118.3-174.1-69.2-175.4-179.7-179.60110.1I77 P81I77-K79 PolarHBondContact O-N 3.12Å; K79-P81 WeakPolarHBondContact O-CD 3.32Å
80I87.1Confident87.4Confident43 Ų4392 Ų9222%0.22147%0.472CS..  trans-120.878.3178.3-47.4172.5000108.3T60 C63 R64 I77T60-I80 HydrophobicContact CG2-CG2 3.56Å; C63-I80 HydrophobicContact CB-CD1 3.63Å; C63-I80 HydrophobicContact CB-CG1 3.98Å; C63-I80 HydrophobicContact CB-CG2 4.27Å; R64-I80 HydrophobicContact CG-CD1 3.8Å; I77-I80 HydrophobicContact CG2-CG1 4.04Å
81P85.1Confident87.6Confident76 Ų7693.3 Ų93.349%0.49448%0.479SS..  trans-70.6137.2-179.628.8-33.9000110.9K79 K92K79-P81 WeakPolarHBondContact O-CD 3.32Å; P81-K92 WeakPolarHBondContact O-CE 3.34Å; P81-K92 PolarHBondContact O-NZ 3.2Å
82E83.4Confident87.9Confident157 Ų15791 Ų9173%0.73446%0.463SS*.  trans-76.5124.7169.9-67.7-174.9-17800109.6R64R64-E82 IonicContact NH2-OE1 2.65Å
83T86.3Confident88.4Confident35 Ų3585.3 Ų85.322%0.21543%0.427CS..  trans-157.8139.4-176.9176.10000110.6M85 K88T83-M85 VanDerWaalsContact C-N 3.26Å; T83-M85 WeakPolarHBondContact OG1-CB 3.46Å; T83-M85 PolarHBondContact OG1-N 3.13Å; T83-M85 VanDerWaalsContact OG1-N 3.16Å; T83-K88 HydrophobicContact CG2-CB 3.34Å; T83-K88 HydrophobicContact CG2-CG 3.99Å
84K86.9Confident89Confident201 Ų20183.8 Ų83.887%0.87440%0.404SS*.  trans-83.6-2.1175.7-61.3-174.8178.7-177.10112.8V86K84-V86 PolarHBondContact O-N 3.32Å
85M88.8Confident89.5Confident132 Ų13280.3 Ų80.365%0.6539%0.388SS*.  trans-72.3118.4-179.1-67.8-175.6179.100110.7T83 F87 K88 Q89T83-M85 VanDerWaalsContact C-N 3.26Å; T83-M85 WeakPolarHBondContact OG1-CB 3.46Å; T83-M85 PolarHBondContact OG1-N 3.13Å; T83-M85 VanDerWaalsContact OG1-N 3.16Å; M85-F87 VanDerWaalsContact C-N 3.29Å; M85-F87 PolarHBondContact O-N 3.42Å; M85-K88 HydrophobicContact CB-CB 4.22Å; M85-K88 HydrophobicContact CB-CG 4.11Å; M85-K88 WeakPolarHBondContact O-CB 3.45Å; M85-K88 PolarHBondContact O-N 2.89Å; M85-Q89 PolarHBondContact O-N 2.89Å; M85-Q89 VanDerWaalsContact O-N 3.12Å
86V89.4Confident89.8Confident47 Ų4776.3 Ų76.329%0.28537%0.369SS..Hα-helixtrans-50.6-46.3-179.5171.90000112.8K84 K88 Q89 M90 W117K84-V86 PolarHBondContact O-N 3.32Å; V86-K88 VanDerWaalsContact C-N 3.27Å; V86-K88 PolarHBondContact O-N 2.72Å; V86-Q89 WeakPolarHBondContact O-CB 3.35Å; V86-Q89 PolarHBondContact O-N 3.31Å; V86-M90 HydrophobicContact CG1-CE 3.98Å; V86-M90 HydrophobicContact CG1-SD 4.31Å; V86-M90 WeakPolarHBondContact O-CG 3.45Å; V86-M90 PolarHBondContact O-N 3.33Å; V86-W117 HydrophobicContact CB-CZ2 4.06Å; V86-W117 HydrophobicContact CG1-CH2 3.8Å; V86-W117 HydrophobicContact CG1-CZ2 3.2Å; V86-W117 HydrophobicContact CG2-CZ2 3.75Å
87F89.9Confident90.2Very high149 Ų14974.4 Ų74.465%0.65436%0.356SS*.Hα-helixtrans-59.2-38.5179.3178.4-98.7000112.3M85 M90 E91M85-F87 VanDerWaalsContact C-N 3.29Å; M85-F87 PolarHBondContact O-N 3.42Å; F87-M90 PolarHBondContact O-N 3.5Å; F87-E91 WeakPolarHBondContact O-CB 2.92Å; F87-E91 PolarHBondContact O-N 3.16Å
88K90.8Very high90.4Very high81 Ų8179.7 Ų79.735%0.35238%0.38SS..Hα-helixtrans-72.6-33.1178.4-69.2-61.1-175.7-175.20112.9T83 M85 V86 E91 K92T83-K88 HydrophobicContact CG2-CB 3.34Å; T83-K88 HydrophobicContact CG2-CG 3.99Å; M85-K88 HydrophobicContact CB-CB 4.22Å; M85-K88 HydrophobicContact CB-CG 4.11Å; M85-K88 WeakPolarHBondContact O-CB 3.45Å; M85-K88 PolarHBondContact O-N 2.89Å; V86-K88 VanDerWaalsContact C-N 3.27Å; V86-K88 PolarHBondContact O-N 2.72Å; K88-E91 WeakPolarHBondContact CD-OE2 3.46Å; K88-E91 IonicContact NZ-OE1 2.93Å; K88-E91 IonicContact NZ-OE2 3.96Å; K88-E91 PolarHBondContact NZ-OE2 3.25Å; K88-E91 PolarHBondContact O-N 3.06Å; K88-K92 WeakPolarHBondContact O-CG 3.33Å; K88-K92 PolarHBondContact O-N 3.47Å
89Q91.2Very high90.9Very high30 Ų3071.5 Ų71.514%0.1435%0.346CS..Hα-helixtrans-65.1-46.1171.8-65.1178.7-27.500111D58 M85 V86 E91 K92 I93D58-Q89 WeakPolarHBondContact OD1-CG 3.33Å; D58-Q89 PolarHBondContact OD1-NE2 3.24Å; M85-Q89 PolarHBondContact O-N 2.89Å; M85-Q89 VanDerWaalsContact O-N 3.12Å; V86-Q89 WeakPolarHBondContact O-CB 3.35Å; V86-Q89 PolarHBondContact O-N 3.31Å; Q89-E91 VanDerWaalsContact C-N 3.31Å; Q89-E91 PolarHBondContact O-N 2.85Å; Q89-K92 WeakPolarHBondContact O-CB 3.21Å; Q89-K92 PolarHBondContact O-N 3.3Å; Q89-I93 WeakPolarHBondContact O-CG1 3.43Å; Q89-I93 PolarHBondContact O-N 3.08Å; Q89-I93 VanDerWaalsContact O-N 3.11Å
90M92.4Very high91.4Very high54 Ų5463.2 Ų63.227%0.26631%0.31SS..Hα-helixtrans-60.7-39.3174.8-71.3-174.1173.500112.3V86 F87 I93 S94 T113 W117V86-M90 HydrophobicContact CG1-CE 3.98Å; V86-M90 HydrophobicContact CG1-SD 4.31Å; V86-M90 WeakPolarHBondContact O-CG 3.45Å; V86-M90 PolarHBondContact O-N 3.33Å; F87-M90 PolarHBondContact O-N 3.5Å; M90-I93 PolarHBondContact O-N 3.22Å; M90-S94 PolarHBondContact O-N 3.46Å; M90-T113 HydrophobicContact CB-CG2 3.78Å; M90-T113 HydrophobicContact CG-CG2 3.82Å; M90-W117 HydrophobicContact CE-CB 4.33Å; M90-W117 HydrophobicContact CE-CD2 3.31Å; M90-W117 HydrophobicContact CE-CE3 3.26Å; M90-W117 HydrophobicContact CE-CG 3.77Å; M90-W117 HydrophobicContact CE-CH2 4.26Å; M90-W117 HydrophobicContact CE-CZ2 4.31Å; M90-W117 HydrophobicContact CE-CZ3 3.76Å; M90-W117 HydrophobicContact CG-CG 4.21Å
91E93.3Very high91.8Very high69 Ų6965.4 Ų65.432%0.32232%0.319SS..Hα-helixtrans-62.2-44.9175.8-168.9-176.2169.900111.7F87 K88 Q89 I93 S94 Q95F87-E91 WeakPolarHBondContact O-CB 2.92Å; F87-E91 PolarHBondContact O-N 3.16Å; K88-E91 WeakPolarHBondContact CD-OE2 3.46Å; K88-E91 IonicContact NZ-OE1 2.93Å; K88-E91 IonicContact NZ-OE2 3.96Å; K88-E91 PolarHBondContact NZ-OE2 3.25Å; K88-E91 PolarHBondContact O-N 3.06Å; Q89-E91 VanDerWaalsContact C-N 3.31Å; Q89-E91 PolarHBondContact O-N 2.85Å; E91-I93 PolarHBondContact O-N 3.41Å; E91-S94 WeakPolarHBondContact O-CB 3.36Å; E91-S94 PolarHBondContact O-N 3.22Å; E91-Q95 WeakPolarHBondContact O-CG 3.2Å; E91-Q95 PolarHBondContact O-N 3.15Å
92K93.8Very high92.1Very high7 Ų765.6 Ų65.63%0.0333%0.328CS..Hα-helixtrans-58.8-45.3175.4-72.1166.2179.3174.30112.1D58 C63 P81 K88 Q89 S94 Q95 F96D58-K92 WeakPolarHBondContact O-CD 3.21Å; D58-K92 IonicContact OD1-NZ 3.08Å; D58-K92 IonicContact OD2-NZ 3.4Å; D58-K92 PolarHBondContact OD2-NZ 2.96Å; D58-K92 VanDerWaalsContact OD2-NZ 3.08Å; C63-K92 PolarHBondContact SG-O 3.26Å; C63-K92 VanDerWaalsContact SG-O 3.41Å; P81-K92 WeakPolarHBondContact O-CE 3.34Å; P81-K92 PolarHBondContact O-NZ 3.2Å; K88-K92 WeakPolarHBondContact O-CG 3.33Å; K88-K92 PolarHBondContact O-N 3.47Å; Q89-K92 WeakPolarHBondContact O-CB 3.21Å; Q89-K92 PolarHBondContact O-N 3.3Å; K92-S94 VanDerWaalsContact C-N 3.3Å; K92-S94 PolarHBondContact O-N 3.45Å; K92-Q95 PolarHBondContact O-N 2.76Å; K92-F96 PolarHBondContact O-N 3.36Å
93I95Very high92.5Very high0 Ų058.5 Ų58.50%029%0.294CS..Hα-helixtrans-60.3-43.9176.9-64.7165.6000110Q89 M90 E91 Q95 F96 L97 F111 T113 L116 W117Q89-I93 WeakPolarHBondContact O-CG1 3.43Å; Q89-I93 PolarHBondContact O-N 3.08Å; Q89-I93 VanDerWaalsContact O-N 3.11Å; M90-I93 PolarHBondContact O-N 3.22Å; E91-I93 PolarHBondContact O-N 3.41Å; I93-Q95 PolarHBondContact O-N 2.99Å; I93-F96 WeakPolarHBondContact O-CB 2.92Å; I93-F96 PolarHBondContact O-N 2.94Å; I93-L97 HydrophobicContact CG2-CD1 4.35Å; I93-L97 WeakPolarHBondContact O-CG 3.41Å; I93-L97 PolarHBondContact O-N 2.87Å; I93-F111 HydrophobicContact CG2-CE2 3.62Å; I93-F111 HydrophobicContact CG2-CZ 3.97Å; I93-T113 HydrophobicContact CB-CG2 4.14Å; I93-T113 HydrophobicContact CD1-CG2 4.32Å; I93-T113 HydrophobicContact CG2-CG2 4.07Å; I93-L116 HydrophobicContact CD1-CD2 3.91Å; I93-L116 HydrophobicContact CD1-CG 4.34Å; I93-L116 HydrophobicContact CG1-CD2 4.12Å; I93-L116 HydrophobicContact CG2-CD2 4.39Å; I93-W117 HydrophobicContact CD1-CB 4.39Å
94S94.6Very high92.7Very high41 Ų4158.8 Ų58.829%0.28730%0.304SS..Hα-helixtrans-62.1-40.6176.3-163.10000112.6M90 E91 K92 F96 L97 H98M90-S94 PolarHBondContact O-N 3.46Å; E91-S94 WeakPolarHBondContact O-CB 3.36Å; E91-S94 PolarHBondContact O-N 3.22Å; K92-S94 VanDerWaalsContact C-N 3.3Å; K92-S94 PolarHBondContact O-N 3.45Å; S94-F96 VanDerWaalsContact C-N 3.34Å; S94-F96 PolarHBondContact O-N 3.49Å; S94-L97 PolarHBondContact O-N 3.31Å; S94-H98 PolarHBondContact O-N 3.26Å
95Q95.2Very high93Very high64 Ų6449.6 Ų49.630%0.29926%0.264SS..Hα-helixtrans-62.8-40.9175.8-70.8173.514.500111.6I77 E91 K92 I93 H98 A99I77-Q95 HydrophobicContact CD1-CB 3.92Å; I77-Q95 HydrophobicContact CG1-CB 4.34Å; E91-Q95 WeakPolarHBondContact O-CG 3.2Å; E91-Q95 PolarHBondContact O-N 3.15Å; K92-Q95 PolarHBondContact O-N 2.76Å; I93-Q95 PolarHBondContact O-N 2.99Å; Q95-H98 PolarHBondContact O-N 3.23Å; Q95-A99 WeakPolarHBondContact O-CB 3.43Å; Q95-A99 PolarHBondContact O-N 2.81Å
96F96Very high93.1Very high0 Ų048.3 Ų48.30%026%0.259CS..Hα-helixtrans-59.5-46.3172.7164.4-97.1000111.7L62 I66 K92 I93 S94 H98 A99 A100 F111 L129 L132L62-F96 HydrophobicContact CB-CB 4.1Å; L62-F96 HydrophobicContact CB-CD1 4.22Å; L62-F96 HydrophobicContact CB-CD2 3.81Å; L62-F96 HydrophobicContact CB-CE2 4.3Å; L62-F96 HydrophobicContact CB-CG 3.76Å; L62-F96 HydrophobicContact CD1-CD1 4.21Å; L62-F96 HydrophobicContact CD2-CE1 4.38Å; L62-F96 HydrophobicContact CD2-CE2 4.44Å; L62-F96 HydrophobicContact CD2-CZ 4.26Å; L62-F96 WeakPolarHBondContact O-CD2 3.35Å; I66-F96 HydrophobicContact CB-CD2 3.86Å; I66-F96 HydrophobicContact CB-CE2 4.05Å; I66-F96 HydrophobicContact CG2-CD2 3.9Å; K92-F96 PolarHBondContact O-N 3.36Å; I93-F96 WeakPolarHBondContact O-CB 2.92Å; I93-F96 PolarHBondContact O-N 2.94Å; S94-F96 VanDerWaalsContact C-N 3.34Å; S94-F96 PolarHBondContact O-N 3.49Å; F96-H98 PolarHBondContact O-N 3.32Å; F96-A99 PolarHBondContact O-N 2.84Å; F96-A100 HydrophobicContact CZ-CB 4.4Å; F96-A100 WeakPolarHBondContact O-CB 3.36Å; F96-A100 PolarHBondContact O-N 3.41Å; F96-F111 HydrophobicContact CD1-CE1 4.28Å; F96-F111 HydrophobicContact CD1-CZ 4.21Å; F96-F111 AromaticContact CE1-CE1 3.77Å; F96-F111 HydrophobicContact CE1-CE1 3.77Å; F96-F111 HydrophobicContact CE1-CZ 4.16Å; F96-L129 HydrophobicContact CZ-CD2 4.24Å; F96-L132 HydrophobicContact CE2-CD2 3.93Å; F96-L132 HydrophobicContact CZ-CD2 4.05Å
97L95.8Very high93.1Very high15 Ų1550.3 Ų50.38%0.07927%0.271CS..Hα-helixtrans-61.9-43.2-179.5-67.4172000111.9I93 S94 A100 E101 L110 F111I93-L97 HydrophobicContact CG2-CD1 4.35Å; I93-L97 WeakPolarHBondContact O-CG 3.41Å; I93-L97 PolarHBondContact O-N 2.87Å; S94-L97 PolarHBondContact O-N 3.31Å; L97-A100 PolarHBondContact O-N 2.97Å; L97-E101 PolarHBondContact O-N 3.3Å; L97-L110 HydrophobicContact CD2-CB 4.42Å; L97-L110 HydrophobicContact CD2-CD2 4.3Å; L97-F111 HydrophobicContact CD1-CE2 4.33Å; L97-F111 VanDerWaalsContact CD1-O 3.24Å; L97-F111 WeakPolarHBondContact CD1-O 3.35Å; L97-F111 HydrophobicContact CD2-CD1 3.95Å; L97-F111 HydrophobicContact CD2-CD2 4.24Å; L97-F111 HydrophobicContact CD2-CE1 3.79Å; L97-F111 HydrophobicContact CD2-CE2 4.07Å; L97-F111 HydrophobicContact CD2-CG 4.16Å; L97-F111 HydrophobicContact CD2-CZ 3.84Å; L97-F111 VanDerWaalsContact CD2-O 3.31Å; L97-F111 WeakPolarHBondContact CD2-O 3.35Å; L97-F111 HydrophobicContact CG-CE2 4.48Å; L97-F111 HydrophobicContact CG-CZ 4.42Å
98H95Very high93.2Very high119 Ų11946.5 Ų46.555%0.55127%0.274SS*.Hα-helixtrans-64.5-40.3175-65.7-23.4000112.5S94 Q95 F96 E101 A102S94-H98 PolarHBondContact O-N 3.26Å; Q95-H98 PolarHBondContact O-N 3.23Å; F96-H98 PolarHBondContact O-N 3.32Å; H98-E101 PolarHBondContact O-N 3.27Å; H98-A102 WeakPolarHBondContact O-CB 3.23Å; H98-A102 PolarHBondContact O-N 3.34Å
99A94.8Very high93.2Very high7 Ų745.2 Ų45.26%0.05827%0.271CS..Hα-helixtrans-66.7-37.3175.900000112I66 P76 I77 Q95 F96 A102 Y103I66-A99 HydrophobicContact CG1-CB 3.77Å; I66-A99 HydrophobicContact CG2-CB 4.16Å; P76-A99 HydrophobicContact CB-CB 3.79Å; P76-A99 HydrophobicContact CG-CB 3.81Å; I77-A99 HydrophobicContact CD1-CB 4.42Å; Q95-A99 WeakPolarHBondContact O-CB 3.43Å; Q95-A99 PolarHBondContact O-N 2.81Å; F96-A99 PolarHBondContact O-N 2.84Å; A99-A102 PolarHBondContact O-N 2.98Å; A99-Y103 WeakPolarHBondContact O-CB 3.39Å; A99-Y103 PolarHBondContact O-N 2.78Å
100A94.6Very high93.3Very high0 Ų045.4 Ų45.40%027%0.273CS..Hα-helixtrans-68.5-40.1176.900000112F96 L97 Y103 G104 L105 L110F96-A100 HydrophobicContact CZ-CB 4.4Å; F96-A100 WeakPolarHBondContact O-CB 3.36Å; F96-A100 PolarHBondContact O-N 3.41Å; L97-A100 PolarHBondContact O-N 2.97Å; A100-Y103 WeakPolarHBondContact O-CB 3.48Å; A100-Y103 PolarHBondContact O-N 3.43Å; A100-G104 PolarHBondContact O-N 3.5Å; A100-L105 HydrophobicContact CB-CD1 4.49Å; A100-L105 HydrophobicContact CB-CD2 4.26Å; A100-L105 WeakPolarHBondContact O-CB 3.19Å; A100-L105 WeakPolarHBondContact O-CD1 3.38Å; A100-L105 PolarHBondContact O-N 3.04Å; A100-L105 VanDerWaalsContact O-N 3.15Å; A100-L110 HydrophobicContact CB-CD2 3.98Å
101E94.8Very high93.5Very high89 Ų8943.1 Ų43.142%0.41626%0.261SS..Hα-helixtrans-60-49.2171-171.3178.6-16200111.1L97 H98 Y103 G104 T107 L110L97-E101 PolarHBondContact O-N 3.3Å; H98-E101 PolarHBondContact O-N 3.27Å; E101-Y103 PolarHBondContact O-N 2.83Å; E101-G104 WeakPolarHBondContact O-CA 3.39Å; E101-G104 PolarHBondContact O-N 2.83Å; E101-T107 HydrophobicContact CG-CG2 4.3Å; E101-T107 WeakPolarHBondContact OE1-CG2 3.4Å; E101-L110 HydrophobicContact CB-CD1 3.9Å; E101-L110 HydrophobicContact CG-CD1 4.33Å
102A93.1Very high93.6Very high81 Ų8146.1 Ų46.167%0.66928%0.275SS*.Hα-helixtrans-62.8-27.6175.900000112.9H98 A99 G104H98-A102 WeakPolarHBondContact O-CB 3.23Å; H98-A102 PolarHBondContact O-N 3.34Å; A99-A102 PolarHBondContact O-N 2.98Å; A102-G104 PolarHBondContact O-N 3.11Å
103Y91.3Very high93.6Very high8 Ų847.3 Ų47.33%0.03128%0.283CS..Hα-helixtrans-71-14.5172.5-165.7-105.4000112.5I66 L69 Y70 A99 A100 E101 L105 L132 M135 A136 K139I66-Y103 HydrophobicContact CD1-CD2 4.48Å; I66-Y103 HydrophobicContact CD1-CG 4.22Å; L69-Y103 HydrophobicContact CB-CE2 4.09Å; L69-Y103 HydrophobicContact CD1-CE1 4.39Å; Y70-Y103 HydrophobicContact CD2-CD2 4.41Å; Y70-Y103 HydrophobicContact CE1-CD2 4.49Å; Y70-Y103 AromaticContact CE2-CD2 3.58Å; Y70-Y103 HydrophobicContact CE2-CD2 3.58Å; Y70-Y103 HydrophobicContact CE2-CE2 4.17Å; Y70-Y103 HydrophobicContact CE2-CG 4.49Å; Y70-Y103 AromaticContact CZ-CD2 3.64Å; A99-Y103 WeakPolarHBondContact O-CB 3.39Å; A99-Y103 PolarHBondContact O-N 2.78Å; A100-Y103 WeakPolarHBondContact O-CB 3.48Å; A100-Y103 PolarHBondContact O-N 3.43Å; E101-Y103 PolarHBondContact O-N 2.83Å; Y103-L105 HydrophobicContact CD1-CD1 4.23Å; Y103-L132 HydrophobicContact CD1-CD1 3.65Å; Y103-L132 HydrophobicContact CE1-CD1 4.06Å; Y103-L132 HydrophobicContact CG-CD1 4.39Å; Y103-M135 HydrophobicContact CD1-CB 4.38Å; Y103-M135 HydrophobicContact CD1-CG 3.77Å; Y103-M135 HydrophobicContact CE1-CB 4.22Å; Y103-M135 HydrophobicContact CE1-CG 3.77Å; Y103-A136 HydrophobicContact CE1-CB 4.24Å; Y103-A136 WeakPolarHBondContact OH-CA 3.2Å; Y103-K139 VanDerWaalsContact CD2-NZ 3.29Å; Y103-K139 HydrophobicContact CE1-CD 4.25Å; Y103-K139 HydrophobicContact CE2-CD 4.15Å; Y103-K139 WeakPolarHBondContact O-CE 3.24Å; Y103-K139 PolarHBondContact O-NZ 3.33Å
104G90.4Very high93.4Very high40 Ų4049.7 Ų49.741%0.41230%0.297SS..THydrogen-bonded Turntrans111.413.1174.300000114.3A100 E101 A102 M135A100-G104 PolarHBondContact O-N 3.5Å; E101-G104 WeakPolarHBondContact O-CA 3.39Å; E101-G104 PolarHBondContact O-N 2.83Å; A102-G104 PolarHBondContact O-N 3.11Å; G104-M135 WeakPolarHBondContact O-CE 3.44Å
105L92.7Very high93.4Very high8 Ų848.7 Ų48.74%0.04229%0.289CS..  trans-67.6144.7170.8-84.771.5000110.3A100 Y103 L110 T128 A131 L132 M135A100-L105 HydrophobicContact CB-CD1 4.49Å; A100-L105 HydrophobicContact CB-CD2 4.26Å; A100-L105 WeakPolarHBondContact O-CB 3.19Å; A100-L105 WeakPolarHBondContact O-CD1 3.38Å; A100-L105 PolarHBondContact O-N 3.04Å; A100-L105 VanDerWaalsContact O-N 3.15Å; Y103-L105 HydrophobicContact CD1-CD1 4.23Å; L105-L110 HydrophobicContact CB-CD2 4.06Å; L105-L110 HydrophobicContact CD2-CD2 3.93Å; L105-T128 HydrophobicContact CD2-CG2 3.92Å; L105-A131 HydrophobicContact CD2-CB 4.23Å; L105-L132 HydrophobicContact CD1-CB 4.31Å; L105-L132 HydrophobicContact CD1-CD1 3.59Å; L105-L132 HydrophobicContact CD2-CB 4.16Å; L105-M135 HydrophobicContact CD1-CB 4.26Å; L105-M135 HydrophobicContact CD1-CG 4.41Å
106I91.4Very high93.3Very high105 Ų10545.6 Ų45.654%0.53828%0.275SS..  trans-74.8136.2173.5-57.8171.9000107.4G108 D109I106-G108 PolarHBondContact O-N 2.93Å; I106-G108 VanDerWaalsContact O-N 3.13Å; I106-D109 WeakPolarHBondContact O-CB 3.35Å; I106-D109 PolarHBondContact O-N 3.35Å
107T90.3Very high93.1Very high90 Ų9047.8 Ų47.855%0.55228%0.283SS*.G310 helixtrans-56.3-31.2-178.851.10000113.7E101 D109 L110E101-T107 HydrophobicContact CG-CG2 4.3Å; E101-T107 WeakPolarHBondContact OE1-CG2 3.4Å; T107-D109 VanDerWaalsContact C-N 3.26Å; T107-D109 PolarHBondContact O-N 3.14Å; T107-L110 PolarHBondContact O-N 2.47Å
108G90.4Very high92.9Very high68 Ų6851.4 Ų51.470%0.70130%0.299SS*.G310 helixtrans-68-19.7174.500000115I106I106-G108 PolarHBondContact O-N 2.93Å; I106-G108 VanDerWaalsContact O-N 3.13Å
109D90.8Very high92.6Very high54 Ų5446.6 Ų46.629%0.28928%0.282SS..G310 helixtrans-88.8-11.1175.2-71.7-18.9000112I106 T107 T128 A131 K154I106-D109 WeakPolarHBondContact O-CB 3.35Å; I106-D109 PolarHBondContact O-N 3.35Å; T107-D109 VanDerWaalsContact C-N 3.26Å; T107-D109 PolarHBondContact O-N 3.14Å; D109-T128 WeakPolarHBondContact O-CA 3.21Å; D109-T128 WeakPolarHBondContact O-CB 3.47Å; D109-T128 PolarHBondContact O-OG1 3.39Å; D109-A131 HydrophobicContact CB-CB 4.12Å; D109-K154 IonicContact OD2-NZ 3.06Å; D109-K154 PolarHBondContact OD2-NZ 2.94Å
110L94.8Very high92.4Very high35 Ų3548.9 Ų48.918%0.18329%0.29CS..PPolyproline II helixtrans-82134.3-178.7-63.5173.5000111.1L97 A100 E101 L105 T107 T128L97-L110 HydrophobicContact CD2-CB 4.42Å; L97-L110 HydrophobicContact CD2-CD2 4.3Å; A100-L110 HydrophobicContact CB-CD2 3.98Å; E101-L110 HydrophobicContact CB-CD1 3.9Å; E101-L110 HydrophobicContact CG-CD1 4.33Å; L105-L110 HydrophobicContact CB-CD2 4.06Å; L105-L110 HydrophobicContact CD2-CD2 3.93Å; T107-L110 PolarHBondContact O-N 2.47Å; L110-T128 HydrophobicContact CD2-CG2 3.9Å
111F96Very high92.3Very high6 Ų650 Ų503%0.02630%0.297CS..PPolyproline II helixtrans-78.7164.7169.872.4-97.3000111.4L62 I93 F96 L97 D115 L116 A124 V125 T128L62-F111 HydrophobicContact CD1-CZ 4.1Å; I93-F111 HydrophobicContact CG2-CE2 3.62Å; I93-F111 HydrophobicContact CG2-CZ 3.97Å; F96-F111 HydrophobicContact CD1-CE1 4.28Å; F96-F111 HydrophobicContact CD1-CZ 4.21Å; F96-F111 AromaticContact CE1-CE1 3.77Å; F96-F111 HydrophobicContact CE1-CE1 3.77Å; F96-F111 HydrophobicContact CE1-CZ 4.16Å; L97-F111 HydrophobicContact CD1-CE2 4.33Å; L97-F111 VanDerWaalsContact CD1-O 3.24Å; L97-F111 WeakPolarHBondContact CD1-O 3.35Å; L97-F111 HydrophobicContact CD2-CD1 3.95Å; L97-F111 HydrophobicContact CD2-CD2 4.24Å; L97-F111 HydrophobicContact CD2-CE1 3.79Å; L97-F111 HydrophobicContact CD2-CE2 4.07Å; L97-F111 HydrophobicContact CD2-CG 4.16Å; L97-F111 HydrophobicContact CD2-CZ 3.84Å; L97-F111 VanDerWaalsContact CD2-O 3.31Å; L97-F111 WeakPolarHBondContact CD2-O 3.35Å; L97-F111 HydrophobicContact CG-CE2 4.48Å; L97-F111 HydrophobicContact CG-CZ 4.42Å; F111-D115 HydrophobicContact CB-CB 4.35Å; F111-L116 HydrophobicContact CD2-CB 4.18Å; F111-L116 HydrophobicContact CE2-CB 3.73Å; F111-L116 HydrophobicContact CE2-CD2 4.06Å; F111-L116 HydrophobicContact CZ-CB 4.4Å; F111-L116 HydrophobicContact CZ-CD2 3.99Å; F111-A124 HydrophobicContact CB-CB 3.91Å; F111-V125 HydrophobicContact CB-CG2 4.23Å; F111-V125 HydrophobicContact CD1-CB 4.31Å; F111-V125 HydrophobicContact CD1-CG1 4.34Å; F111-V125 HydrophobicContact CD1-CG2 4.1Å; F111-V125 HydrophobicContact CD2-CG2 4.05Å; F111-V125 HydrophobicContact CE1-CG1 4.23Å; F111-V125 HydrophobicContact CE1-CG2 4.5Å; F111-V125 HydrophobicContact CE2-CG2 4.47Å; F111-V125 HydrophobicContact CG-CG2 3.89Å; F111-T128 HydrophobicContact CD1-CG2 3.89Å; F111-T128 WeakPolarHBondContact CD1-OG1 3.32Å; F111-T128 HydrophobicContact CE1-CG2 4.25Å; F111-T128 PolarHBondContact N-OG1 3.45Å
112Q94.3Very high92.3Very high132 Ų13246 Ų4662%0.61728%0.278SS*.PPolyproline II helixtrans-98.6150.6173.3-53.4-168-71.700111.3V114 D115Q112-V114 HydrophobicContact CB-CG2 4.08Å; Q112-V114 PolarHBondContact O-N 3.45Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.13Å; Q112-D115 PolarHBondContact N-OD2 2.95Å; Q112-D115 WeakPolarHBondContact O-CA 3.44Å; Q112-D115 VanDerWaalsContact O-CB 3.26Å; Q112-D115 WeakPolarHBondContact O-CB 3.31Å; Q112-D115 PolarHBondContact O-N 3.16Å
113T93.9Very high92.3Very high31 Ų3142.3 Ų42.319%0.1925%0.247CC..Hα-helixtrans-49.2-35-179.3-51.80000114.2M90 I93 D115 W117M90-T113 HydrophobicContact CB-CG2 3.78Å; M90-T113 HydrophobicContact CG-CG2 3.82Å; I93-T113 HydrophobicContact CB-CG2 4.14Å; I93-T113 HydrophobicContact CD1-CG2 4.32Å; I93-T113 HydrophobicContact CG2-CG2 4.07Å; T113-D115 VanDerWaalsContact C-N 3.33Å; T113-D115 PolarHBondContact O-N 3.47Å; T113-W117 VanDerWaalsContact O-CB 3.24Å; T113-W117 WeakPolarHBondContact O-CB 3.41Å; T113-W117 PolarHBondContact O-N 3.41Å
114V91.7Very high92.5Very high50 Ų5042.2 Ų42.230%0.30325%0.248SC..Hα-helixtrans-68.2-29.7177.3-63.70000113.3Q112 L116 E118 G119 K120Q112-V114 HydrophobicContact CB-CG2 4.08Å; Q112-V114 PolarHBondContact O-N 3.45Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.21Å; V114-E118 WeakPolarHBondContact O-CA 3.5Å; V114-E118 WeakPolarHBondContact O-CB 3.38Å; V114-E118 PolarHBondContact O-N 3.27Å; V114-G119 PolarHBondContact O-N 3.46Å; V114-K120 HydrophobicContact CG2-CD 4.47Å
115D93.6Very high92.7Very high20 Ų2040.3 Ų40.311%0.10723%0.229CC..Hα-helixtrans-65.8-40-178.3-59.5-28.7000110.9F111 Q112 T113 G119 K120 D121F111-D115 HydrophobicContact CB-CB 4.35Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.13Å; Q112-D115 PolarHBondContact N-OD2 2.95Å; Q112-D115 WeakPolarHBondContact O-CA 3.44Å; Q112-D115 VanDerWaalsContact O-CB 3.26Å; Q112-D115 WeakPolarHBondContact O-CB 3.31Å; Q112-D115 PolarHBondContact O-N 3.16Å; T113-D115 VanDerWaalsContact C-N 3.33Å; T113-D115 PolarHBondContact O-N 3.47Å; D115-G119 CarbonylContact O-C 3.27Å; D115-G119 VanDerWaalsContact O-C 3.27Å; D115-G119 WeakPolarHBondContact O-CA 3.45Å; D115-G119 PolarHBondContact O-N 2.93Å; D115-K120 PolarHBondContact O-N 2.9Å; D115-K120 VanDerWaalsContact O-N 3.09Å; D115-D121 HydrophobicContact CB-CB 4.12Å
116L93.8Very high92.8Very high0 Ų040.1 Ų40.10%023%0.227CC..Hα-helixtrans-83.6-49.3174.817758.8000112.4Q53 L56 L62 I93 F111 V114 G119 M122 V125Q53-L116 HydrophobicContact CG-CD1 4.38Å; Q53-L116 VanDerWaalsContact CG-O 3.29Å; Q53-L116 WeakPolarHBondContact CG-O 3.43Å; Q53-L116 PolarHBondContact NE2-O 2.88Å; L56-L116 HydrophobicContact CB-CD1 3.89Å; L56-L116 HydrophobicContact CB-CD2 4.23Å; L62-L116 HydrophobicContact CD1-CD2 3.47Å; L62-L116 VanDerWaalsContact CD1-CD2 3.47Å; I93-L116 HydrophobicContact CD1-CD2 3.91Å; I93-L116 HydrophobicContact CD1-CG 4.34Å; I93-L116 HydrophobicContact CG1-CD2 4.12Å; I93-L116 HydrophobicContact CG2-CD2 4.39Å; F111-L116 HydrophobicContact CD2-CB 4.18Å; F111-L116 HydrophobicContact CE2-CB 3.73Å; F111-L116 HydrophobicContact CE2-CD2 4.06Å; F111-L116 HydrophobicContact CZ-CB 4.4Å; F111-L116 HydrophobicContact CZ-CD2 3.99Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.21Å; L116-G119 PolarHBondContact O-N 2.97Å; L116-M122 HydrophobicContact CD1-CE 4.08Å; L116-M122 HydrophobicContact CD1-SD 4.14Å; L116-V125 HydrophobicContact CB-CG2 3.91Å; L116-V125 HydrophobicContact CD1-CG1 4.37Å; L116-V125 HydrophobicContact CD1-CG2 4.3Å
117W92.8Very high93Very high45 Ų4540.3 Ų40.317%0.1722%0.221CC..Hα-helixtrans-72.8-41.5-170.1-16891.4000112.7Q53 K57 V86 M90 I93 T113Q53-W117 PolarHBondContact NE2-O 2.88Å; K57-W117 WeakPolarHBondContact CE-O 3.46Å; K57-W117 HydrophobicContact CG-CG 4.39Å; K57-W117 PolarHBondContact NZ-O 3.44Å; V86-W117 HydrophobicContact CB-CZ2 4.06Å; V86-W117 HydrophobicContact CG1-CH2 3.8Å; V86-W117 HydrophobicContact CG1-CZ2 3.2Å; V86-W117 HydrophobicContact CG2-CZ2 3.75Å; M90-W117 HydrophobicContact CE-CB 4.33Å; M90-W117 HydrophobicContact CE-CD2 3.31Å; M90-W117 HydrophobicContact CE-CE3 3.26Å; M90-W117 HydrophobicContact CE-CG 3.77Å; M90-W117 HydrophobicContact CE-CH2 4.26Å; M90-W117 HydrophobicContact CE-CZ2 4.31Å; M90-W117 HydrophobicContact CE-CZ3 3.76Å; M90-W117 HydrophobicContact CG-CG 4.21Å; I93-W117 HydrophobicContact CD1-CB 4.39Å; T113-W117 VanDerWaalsContact O-CB 3.24Å; T113-W117 WeakPolarHBondContact O-CB 3.41Å; T113-W117 PolarHBondContact O-N 3.41Å
118E90.3Very high93.2Very high91 Ų9136 Ų3643%0.42520%0.195SC..THydrogen-bonded Turntrans-89.9-14.9172.9-58.1-172.815900112.3V114 K120V114-E118 WeakPolarHBondContact O-CA 3.5Å; V114-E118 WeakPolarHBondContact O-CB 3.38Å; V114-E118 PolarHBondContact O-N 3.27Å; E118-K120 HydrophobicContact CB-CG 4.32Å; E118-K120 WeakPolarHBondContact OE2-CE 3.12Å; E118-K120 IonicContact OE2-NZ 3.08Å; E118-K120 PolarHBondContact OE2-NZ 2.84Å
119G89.7Confident93.5Very high18 Ų1832.8 Ų32.819%0.18616%0.162CC..  trans79.126178.200000113.8Q53 V114 D115 L116Q53-G119 VanDerWaalsContact NE2-N 3.13Å; V114-G119 PolarHBondContact O-N 3.46Å; D115-G119 CarbonylContact O-C 3.27Å; D115-G119 VanDerWaalsContact O-C 3.27Å; D115-G119 WeakPolarHBondContact O-CA 3.45Å; D115-G119 PolarHBondContact O-N 2.93Å; L116-G119 PolarHBondContact O-N 2.97Å
120K89.8Confident93.7Very high55 Ų5531.2 Ų31.224%0.23916%0.155CC..SBendtrans-69.9-38.3-176.7-73.4-178178.41490114R4 Q15 V114 D115 E118R4-K120 VanDerWaalsContact NH1-NZ 3.16Å; Q15-K120 PolarHBondContact NE2-O 3.04Å; V114-K120 HydrophobicContact CG2-CD 4.47Å; D115-K120 PolarHBondContact O-N 2.9Å; D115-K120 VanDerWaalsContact O-N 3.09Å; E118-K120 HydrophobicContact CB-CG 4.32Å; E118-K120 WeakPolarHBondContact OE2-CE 3.12Å; E118-K120 IonicContact OE2-NZ 3.08Å; E118-K120 PolarHBondContact OE2-NZ 2.84Å
121D93.1Very high93.6Very high24 Ų2429.9 Ų29.913%0.12815%0.149CC..  trans-142.878.4179.2-169.8-9.5000110I18 D115 A123 A124 V125 R127I18-D121 HydrophobicContact CG2-CB 3.93Å; I18-D121 VanDerWaalsContact CG2-CG 3.43Å; I18-D121 VanDerWaalsContact CG2-OD1 3.32Å; I18-D121 WeakPolarHBondContact CG2-OD1 3.49Å; D115-D121 HydrophobicContact CB-CB 4.12Å; D121-A123 PolarHBondContact O-N 3.35Å; D121-A123 WeakPolarHBondContact OD1-CA 3.35Å; D121-A123 WeakPolarHBondContact OD1-CB 3.46Å; D121-A123 PolarHBondContact OD1-N 3.04Å; D121-A123 VanDerWaalsContact OD1-N 3.12Å; D121-A124 HydrophobicContact CB-CB 4.04Å; D121-A124 VanDerWaalsContact CG-CB 3.49Å; D121-A124 WeakPolarHBondContact O-CB 3.42Å; D121-A124 PolarHBondContact O-N 2.58Å; D121-A124 PolarHBondContact OD1-N 3.17Å; D121-V125 PolarHBondContact O-N 2.88Å; D121-R127 IonicContact OD2-NH2 3.11Å
122M93.9Very high93.5Very high5 Ų529.6 Ų29.63%0.02515%0.148CC..Hα-helixtrans-66.8-21.4174.7-69.5-57.2-59.600112.6Y22 R49 F52 Q53 L116 V125 Q126Y22-M122 HydrophobicContact CD2-CB 3.81Å; Y22-M122 HydrophobicContact CE2-CB 3.7Å; R49-M122 HydrophobicContact CG-CB 4.07Å; R49-M122 HydrophobicContact CG-CG 3.96Å; F52-M122 HydrophobicContact CD1-CE 3.75Å; F52-M122 HydrophobicContact CE1-CE 4.23Å; Q53-M122 HydrophobicContact CB-CE 3.79Å; Q53-M122 HydrophobicContact CB-SD 3.89Å; Q53-M122 HydrophobicContact CG-CE 4.23Å; Q53-M122 HydrophobicContact CG-SD 3.77Å; L116-M122 HydrophobicContact CD1-CE 4.08Å; L116-M122 HydrophobicContact CD1-SD 4.14Å; M122-V125 HydrophobicContact CE-CB 4.45Å; M122-V125 HydrophobicContact CE-CG2 4.49Å; M122-V125 PolarHBondContact O-N 3.19Å; M122-V125 HydrophobicContact SD-CG2 4.27Å; M122-Q126 PolarHBondContact O-N 3.44Å; M122-Q126 VanDerWaalsContact O-N 3.1Å
123A93.9Very high93.5Very high3 Ų323.3 Ų23.33%0.02512%0.119CC..Hα-helixtrans-70.5-35.3174.500000111K21 D121 V125 Q126 R127K21-A123 HydrophobicContact CB-CB 3.81Å; D121-A123 PolarHBondContact O-N 3.35Å; D121-A123 WeakPolarHBondContact OD1-CA 3.35Å; D121-A123 WeakPolarHBondContact OD1-CB 3.46Å; D121-A123 PolarHBondContact OD1-N 3.04Å; D121-A123 VanDerWaalsContact OD1-N 3.12Å; A123-V125 VanDerWaalsContact C-N 3.33Å; A123-Q126 PolarHBondContact O-N 2.89Å; A123-R127 WeakPolarHBondContact O-CG 3.39Å; A123-R127 PolarHBondContact O-N 2.86Å
124A94.4Very high93.4Very high7 Ų722.6 Ų22.66%0.05812%0.115CC..Hα-helixtrans-60.4-42.7170.300000111.6F111 D121 Q126 R127 T128F111-A124 HydrophobicContact CB-CB 3.91Å; D121-A124 HydrophobicContact CB-CB 4.04Å; D121-A124 VanDerWaalsContact CG-CB 3.49Å; D121-A124 WeakPolarHBondContact O-CB 3.42Å; D121-A124 PolarHBondContact O-N 2.58Å; D121-A124 PolarHBondContact OD1-N 3.17Å; A124-Q126 VanDerWaalsContact C-N 3.35Å; A124-Q126 PolarHBondContact O-N 2.94Å; A124-R127 WeakPolarHBondContact O-CB 3.36Å; A124-R127 PolarHBondContact O-N 3.39Å; A124-R127 VanDerWaalsContact O-N 3.16Å; A124-T128 PolarHBondContact O-N 3.03Å; A124-T128 PolarHBondContact O-OG1 3.38Å; A124-T128 VanDerWaalsContact O-OG1 3.04Å
125V95.6Very high93.3Very high0 Ų021.4 Ų21.40%011%0.106CC..Hα-helixtrans-59.4-45.7175.9-177.20000111.1L56 F111 L116 D121 M122 A123 R127 T128 L129L56-V125 HydrophobicContact CD1-CG1 4.32Å; F111-V125 HydrophobicContact CB-CG2 4.23Å; F111-V125 HydrophobicContact CD1-CB 4.31Å; F111-V125 HydrophobicContact CD1-CG1 4.34Å; F111-V125 HydrophobicContact CD1-CG2 4.1Å; F111-V125 HydrophobicContact CD2-CG2 4.05Å; F111-V125 HydrophobicContact CE1-CG1 4.23Å; F111-V125 HydrophobicContact CE1-CG2 4.5Å; F111-V125 HydrophobicContact CE2-CG2 4.47Å; F111-V125 HydrophobicContact CG-CG2 3.89Å; L116-V125 HydrophobicContact CB-CG2 3.91Å; L116-V125 HydrophobicContact CD1-CG1 4.37Å; L116-V125 HydrophobicContact CD1-CG2 4.3Å; D121-V125 PolarHBondContact O-N 2.88Å; M122-V125 HydrophobicContact CE-CB 4.45Å; M122-V125 HydrophobicContact CE-CG2 4.49Å; M122-V125 PolarHBondContact O-N 3.19Å; M122-V125 HydrophobicContact SD-CG2 4.27Å; A123-V125 VanDerWaalsContact C-N 3.33Å; V125-R127 VanDerWaalsContact C-N 3.34Å; V125-R127 PolarHBondContact O-N 3.11Å; V125-T128 PolarHBondContact O-N 3.2Å; V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 WeakPolarHBondContact O-CG 3.39Å; V125-L129 PolarHBondContact O-N 3.22Å
126Q94.9Very high93.2Very high3 Ų320.6 Ų20.61%0.01410%0.103CC..Hα-helixtrans-60-43175.1-69.6-172.7-44.800112.1Y22 I23 L26 L30 M122 A123 A124 L129 S130Y22-Q126 HydrophobicContact CD2-CG 4.23Å; Y22-Q126 HydrophobicContact CE2-CG 3.77Å; I23-Q126 VanDerWaalsContact N-OE1 3.11Å; I23-Q126 PolarHBondContact O-NE2 3.33Å; L26-Q126 HydrophobicContact CD2-CB 4.01Å; L30-Q126 HydrophobicContact CD1-CB 3.96Å; L30-Q126 HydrophobicContact CD1-CG 4.02Å; M122-Q126 PolarHBondContact O-N 3.44Å; M122-Q126 VanDerWaalsContact O-N 3.1Å; A123-Q126 PolarHBondContact O-N 2.89Å; A124-Q126 VanDerWaalsContact C-N 3.35Å; A124-Q126 PolarHBondContact O-N 2.94Å; Q126-L129 PolarHBondContact O-N 3.22Å; Q126-S130 WeakPolarHBondContact O-CB 3.49Å; Q126-S130 PolarHBondContact O-N 3.13Å; Q126-S130 PolarHBondContact O-OG 3.41Å
127R94.5Very high93Very high109 Ų10921.2 Ų21.241%0.41111%0.106SC..Hα-helixtrans-61.5-46.8177.1-73.5-167.9-59.7-97.8-0.5111.7D121 A123 A124 V125 L129 S130 A131D121-R127 IonicContact OD2-NH2 3.11Å; A123-R127 WeakPolarHBondContact O-CG 3.39Å; A123-R127 PolarHBondContact O-N 2.86Å; A124-R127 WeakPolarHBondContact O-CB 3.36Å; A124-R127 PolarHBondContact O-N 3.39Å; A124-R127 VanDerWaalsContact O-N 3.16Å; V125-R127 VanDerWaalsContact C-N 3.34Å; V125-R127 PolarHBondContact O-N 3.11Å; R127-L129 PolarHBondContact O-N 2.97Å; R127-S130 PolarHBondContact O-N 3.44Å; R127-A131 VanDerWaalsContact O-CB 3.32Å; R127-A131 WeakPolarHBondContact O-CB 3.32Å; R127-A131 PolarHBondContact O-N 3.27Å
128T95.9Very high92.8Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-60.9-45.8179-53.50000111.8L105 D109 L110 F111 A124 V125 A131 L132L105-T128 HydrophobicContact CD2-CG2 3.92Å; D109-T128 WeakPolarHBondContact O-CA 3.21Å; D109-T128 WeakPolarHBondContact O-CB 3.47Å; D109-T128 PolarHBondContact O-OG1 3.39Å; L110-T128 HydrophobicContact CD2-CG2 3.9Å; F111-T128 HydrophobicContact CD1-CG2 3.89Å; F111-T128 WeakPolarHBondContact CD1-OG1 3.32Å; F111-T128 HydrophobicContact CE1-CG2 4.25Å; F111-T128 PolarHBondContact N-OG1 3.45Å; A124-T128 PolarHBondContact O-N 3.03Å; A124-T128 PolarHBondContact O-OG1 3.38Å; A124-T128 VanDerWaalsContact O-OG1 3.04Å; V125-T128 PolarHBondContact O-N 3.2Å; T128-A131 PolarHBondContact O-N 3.02Å; T128-L132 WeakPolarHBondContact O-CB 3.21Å; T128-L132 PolarHBondContact O-N 3.25Å
129L95.6Very high92.5Very high0 Ų019.1 Ų19.10%010%0.098CC..Hα-helixtrans-65.7-39.6178.8-67.8171.4000111.8L30 W33 I34 F52 L56 L62 L65 F96 V125 Q126 R127 A131 L132 G133L30-L129 HydrophobicContact CD1-CB 4.15Å; L30-L129 HydrophobicContact CD1-CD1 4.37Å; L30-L129 HydrophobicContact CD2-CB 3.79Å; W33-L129 WeakPolarHBondContact CZ3-O 3.14Å; I34-L129 HydrophobicContact CD1-CD1 4.16Å; F52-L129 HydrophobicContact CZ-CD1 4.02Å; L56-L129 HydrophobicContact CD1-CD1 4.06Å; L62-L129 HydrophobicContact CD2-CD2 3.86Å; L65-L129 HydrophobicContact CD2-CD2 3.7Å; F96-L129 HydrophobicContact CZ-CD2 4.24Å; V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 WeakPolarHBondContact O-CG 3.39Å; V125-L129 PolarHBondContact O-N 3.22Å; Q126-L129 PolarHBondContact O-N 3.22Å; R127-L129 PolarHBondContact O-N 2.97Å; L129-A131 VanDerWaalsContact C-N 3.35Å; L129-L132 WeakPolarHBondContact O-CB 3.31Å; L129-L132 PolarHBondContact O-N 3.25Å; L129-G133 PolarHBondContact O-N 3.18Å
130S94.4Very high92Very high21 Ų2124.1 Ų24.115%0.14712%0.12CC..Hα-helixtrans-65.1-39.7175.6-55.60000111.9Q126 R127 L132 G133 S134Q126-S130 WeakPolarHBondContact O-CB 3.49Å; Q126-S130 PolarHBondContact O-N 3.13Å; Q126-S130 PolarHBondContact O-OG 3.41Å; R127-S130 PolarHBondContact O-N 3.44Å; S130-L132 VanDerWaalsContact C-N 3.33Å; S130-G133 PolarHBondContact O-N 3.45Å; S130-S134 WeakPolarHBondContact O-CB 3.08Å; S130-S134 PolarHBondContact O-N 3.16Å; S130-S134 PolarHBondContact O-OG 3.06Å
131A93.6Very high91.6Very high8 Ų826.7 Ų26.77%0.06614%0.137CC..Hα-helixtrans-65.7-36.8174.800000111.6L105 D109 R127 T128 L129 M135L105-A131 HydrophobicContact CD2-CB 4.23Å; D109-A131 HydrophobicContact CB-CB 4.12Å; R127-A131 VanDerWaalsContact O-CB 3.32Å; R127-A131 WeakPolarHBondContact O-CB 3.32Å; R127-A131 PolarHBondContact O-N 3.27Å; T128-A131 PolarHBondContact O-N 3.02Å; L129-A131 VanDerWaalsContact C-N 3.35Å; A131-M135 WeakPolarHBondContact O-CB 3.29Å; A131-M135 PolarHBondContact O-N 2.9Å
132L94.3Very high91.1Very high0 Ų028.9 Ų28.90%017%0.165CC..Hα-helixtrans-65.2-47.5174.3-17664.2000112W33 L65 I66 L69 F96 Y103 L105 T128 L129 S130 S134 M135 A136W33-L132 HydrophobicContact CH2-CB 4.35Å; W33-L132 HydrophobicContact CH2-CD2 4.26Å; W33-L132 HydrophobicContact CH2-CG 4.15Å; L65-L132 HydrophobicContact CD2-CD2 4.1Å; L65-L132 HydrophobicContact CG-CD2 4.45Å; I66-L132 HydrophobicContact CD1-CD1 3.86Å; I66-L132 HydrophobicContact CD1-CD2 4.35Å; L69-L132 HydrophobicContact CD1-CD1 3.74Å; L69-L132 HydrophobicContact CD1-CD2 3.91Å; L69-L132 HydrophobicContact CD1-CG 3.71Å; F96-L132 HydrophobicContact CE2-CD2 3.93Å; F96-L132 HydrophobicContact CZ-CD2 4.05Å; Y103-L132 HydrophobicContact CD1-CD1 3.65Å; Y103-L132 HydrophobicContact CE1-CD1 4.06Å; Y103-L132 HydrophobicContact CG-CD1 4.39Å; L105-L132 HydrophobicContact CD1-CB 4.31Å; L105-L132 HydrophobicContact CD1-CD1 3.59Å; L105-L132 HydrophobicContact CD2-CB 4.16Å; T128-L132 WeakPolarHBondContact O-CB 3.21Å; T128-L132 PolarHBondContact O-N 3.25Å; L129-L132 WeakPolarHBondContact O-CB 3.31Å; L129-L132 PolarHBondContact O-N 3.25Å; S130-L132 VanDerWaalsContact C-N 3.33Å; L132-S134 VanDerWaalsContact C-N 3.35Å; L132-S134 PolarHBondContact O-N 3.45Å; L132-M135 PolarHBondContact O-N 3.5Å; L132-A136 WeakPolarHBondContact O-CB 3.24Å; L132-A136 PolarHBondContact O-N 3Å
133G92.9Very high90.7Very high0 Ų030.7 Ų30.70%017%0.174CC..Hα-helixtrans-59.6-44.817500000112.4L129 S130 M135 A136 L137L129-G133 PolarHBondContact O-N 3.18Å; S130-G133 PolarHBondContact O-N 3.45Å; G133-M135 VanDerWaalsContact C-N 3.35Å; G133-M135 PolarHBondContact O-N 3.04Å; G133-A136 PolarHBondContact O-N 3.48Å; G133-L137 PolarHBondContact O-N 3.1Å
134S92.1Very high90.4Very high16 Ų1632.5 Ų32.511%0.11218%0.18CC..Hα-helixtrans-61.1-41.5175.5-57.80000112.3S130 L132 T138 H152S130-S134 WeakPolarHBondContact O-CB 3.08Å; S130-S134 PolarHBondContact O-N 3.16Å; S130-S134 PolarHBondContact O-OG 3.06Å; L132-S134 VanDerWaalsContact C-N 3.35Å; L132-S134 PolarHBondContact O-N 3.45Å; S134-T138 PolarHBondContact O-N 3.26Å; S134-T138 PolarHBondContact O-OG1 3.12Å; S134-H152 WeakPolarHBondContact CA-O 3.35Å; S134-H152 WeakPolarHBondContact CB-O 3.48Å; S134-H152 PolarHBondContact OG-O 2.93Å
135M91Very high90Very high25 Ų2538.3 Ų38.312%0.12320%0.201CC..Hα-helixtrans-65.7-44.2176.9-176.459.363.400111.6Y103 G104 L105 A131 L132 G133 L137 T138 K139 K154Y103-M135 HydrophobicContact CD1-CB 4.38Å; Y103-M135 HydrophobicContact CD1-CG 3.77Å; Y103-M135 HydrophobicContact CE1-CB 4.22Å; Y103-M135 HydrophobicContact CE1-CG 3.77Å; G104-M135 WeakPolarHBondContact O-CE 3.44Å; L105-M135 HydrophobicContact CD1-CB 4.26Å; L105-M135 HydrophobicContact CD1-CG 4.41Å; A131-M135 WeakPolarHBondContact O-CB 3.29Å; A131-M135 PolarHBondContact O-N 2.9Å; L132-M135 PolarHBondContact O-N 3.5Å; G133-M135 VanDerWaalsContact C-N 3.35Å; G133-M135 PolarHBondContact O-N 3.04Å; M135-L137 PolarHBondContact O-N 2.96Å; M135-T138 WeakPolarHBondContact O-CB 3.26Å; M135-T138 PolarHBondContact O-N 2.92Å; M135-K139 PolarHBondContact O-N 2.75Å; M135-K139 VanDerWaalsContact O-N 3.1Å; M135-K154 HydrophobicContact CE-CD 4.14Å
136A90.2Very high89.4Confident3 Ų339.8 Ų39.83%0.02522%0.215CC..Hα-helixtrans-60.7-43.3178.500000112.1L69 Y103 L132 G133 T138 K139 Y144L69-A136 HydrophobicContact CD1-CB 4.36Å; L69-A136 HydrophobicContact CD2-CB 3.68Å; Y103-A136 HydrophobicContact CE1-CB 4.24Å; Y103-A136 WeakPolarHBondContact OH-CA 3.2Å; L132-A136 WeakPolarHBondContact O-CB 3.24Å; L132-A136 PolarHBondContact O-N 3Å; G133-A136 PolarHBondContact O-N 3.48Å; A136-T138 PolarHBondContact O-N 3.33Å; A136-K139 PolarHBondContact O-N 3.47Å; A136-Y144 HydrophobicContact CB-CD2 3.79Å
137L90.4Very high88.8Confident13 Ų1344.7 Ų44.77%0.06824%0.238CC..Hα-helixtrans-62.3-29.5172.7-79.8-178.5000113.7G133 M135 Y144 F151 K153G133-L137 PolarHBondContact O-N 3.1Å; M135-L137 PolarHBondContact O-N 2.96Å; L137-Y144 HydrophobicContact CD2-CD1 3.44Å; L137-Y144 VanDerWaalsContact CD2-CD1 3.44Å; L137-Y144 HydrophobicContact CD2-CD2 4.26Å; L137-Y144 HydrophobicContact CD2-CE1 3.32Å; L137-Y144 HydrophobicContact CD2-CE2 4.14Å; L137-Y144 HydrophobicContact CD2-CG 3.92Å; L137-Y144 HydrophobicContact CG-CD1 4.28Å; L137-Y144 HydrophobicContact CG-CD2 4.24Å; L137-Y144 HydrophobicContact CG-CE1 4.04Å; L137-Y144 HydrophobicContact CG-CE2 3.97Å; L137-Y144 HydrophobicContact CG-CG 4.38Å; L137-F151 HydrophobicContact CD1-CB 3.68Å; L137-F151 HydrophobicContact CD1-CD2 4.38Å; L137-K153 HydrophobicContact CB-CG 4.21Å; L137-K153 WeakPolarHBondContact O-CE 3.46Å
138T87.7Confident88Confident20 Ų2043.8 Ų43.812%0.12325%0.246CC..Hα-helixtrans-78.7-34.3-176.4-53.80000111.7S134 M135 A136 D140 K154 Q156S134-T138 PolarHBondContact O-N 3.26Å; S134-T138 PolarHBondContact O-OG1 3.12Å; M135-T138 WeakPolarHBondContact O-CB 3.26Å; M135-T138 PolarHBondContact O-N 2.92Å; A136-T138 PolarHBondContact O-N 3.33Å; T138-D140 VanDerWaalsContact C-N 3.33Å; T138-K154 HydrophobicContact CG2-CB 4.4Å; T138-K154 VanDerWaalsContact CG2-O 3.26Å; T138-K154 WeakPolarHBondContact CG2-O 3.33Å; T138-K154 PolarHBondContact OG1-N 3.5Å; T138-Q156 HydrophobicContact CG2-CG 3.7Å
139K83.8Confident87.4Confident71 Ų7150.3 Ų50.331%0.30928%0.282SS..Hα-helixtrans-69.9-30.6178.4-73.1-173.7174.6174.50113.3Y103 M135 A136 D141Y103-K139 VanDerWaalsContact CD2-NZ 3.29Å; Y103-K139 HydrophobicContact CE1-CD 4.25Å; Y103-K139 HydrophobicContact CE2-CD 4.15Å; Y103-K139 WeakPolarHBondContact O-CE 3.24Å; Y103-K139 PolarHBondContact O-NZ 3.33Å; M135-K139 PolarHBondContact O-N 2.75Å; M135-K139 VanDerWaalsContact O-N 3.1Å; A136-K139 PolarHBondContact O-N 3.47Å; K139-D141 WeakPolarHBondContact CB-OD2 3.49Å; K139-D141 PolarHBondContact O-N 3.34Å
140D79.8Confident87Confident123 Ų12352.2 Ų52.266%0.65829%0.289SS*.  trans57.429.9177.2-153.328.5000113.8T138 G142T138-D140 VanDerWaalsContact C-N 3.33Å; D140-G142 PolarHBondContact O-N 3.1Å
141D82.3Confident86.7Confident110 Ų11051.6 Ų51.659%0.58828%0.283SS*.  trans-735.6-177.9-60.4-33.3000113.5K139 Q143K139-D141 WeakPolarHBondContact CB-OD2 3.49Å; K139-D141 PolarHBondContact O-N 3.34Å; D141-Q143 PolarHBondContact O-N 2.82Å
142G81.8Confident86.4Confident70 Ų7058.1 Ų58.172%0.72231%0.312SS*.SBendtrans71.90.3-176.100000115.6D140D140-G142 PolarHBondContact O-N 3.1Å
143Q85.8Confident85.9Confident42 Ų4264.6 Ų64.620%0.19634%0.34CS..  trans-92-16.1-176.6-168.56034.100113.6Q37 S68 L69 D141Q37-Q143 PolarHBondContact NE2-O 2.86Å; Q37-Q143 VanDerWaalsContact NE2-O 3.07Å; S68-Q143 WeakPolarHBondContact O-CG 3.5Å; S68-Q143 PolarHBondContact O-NE2 3.03Å; L69-Q143 VanDerWaalsContact C-CG 3.45Å; L69-Q143 WeakPolarHBondContact O-CG 3.49Å; D141-Q143 PolarHBondContact O-N 2.82Å
144Y87.8Confident85.3Confident42 Ų4267.7 Ų67.717%0.16535%0.354CS..  trans-69.5135.9173.2176.5-90.1000110.9W33 A136 L137 G146 E147 F151W33-Y144 AromaticContact CD1-CE2 3.95Å; W33-Y144 AromaticContact CE2-CE2 3.89Å; W33-Y144 HydrophobicContact CZ2-CE2 4.25Å; W33-Y144 AromaticContact NE1-CD2 3.86Å; W33-Y144 AromaticContact NE1-CE2 3.19Å; W33-Y144 AromaticContact NE1-CZ 3.82Å; A136-Y144 HydrophobicContact CB-CD2 3.79Å; L137-Y144 HydrophobicContact CD2-CD1 3.44Å; L137-Y144 VanDerWaalsContact CD2-CD1 3.44Å; L137-Y144 HydrophobicContact CD2-CD2 4.26Å; L137-Y144 HydrophobicContact CD2-CE1 3.32Å; L137-Y144 HydrophobicContact CD2-CE2 4.14Å; L137-Y144 HydrophobicContact CD2-CG 3.92Å; L137-Y144 HydrophobicContact CG-CD1 4.28Å; L137-Y144 HydrophobicContact CG-CD2 4.24Å; L137-Y144 HydrophobicContact CG-CE1 4.04Å; L137-Y144 HydrophobicContact CG-CE2 3.97Å; L137-Y144 HydrophobicContact CG-CG 4.38Å; Y144-G146 WeakPolarHBondContact CE1-O 3.5Å; Y144-E147 PolarHBondContact OH-O 2.93Å; Y144-F151 HydrophobicContact CE2-CD2 4.03Å; Y144-F151 HydrophobicContact CE2-CE2 4.14Å; Y144-F151 VanDerWaalsContact OH-CD2 3.27Å; Y144-F151 WeakPolarHBondContact OH-CD2 3.26Å; Y144-F151 WeakPolarHBondContact OH-CE2 3.43Å
145R85.1Confident84.5Confident129 Ų12972 Ų7249%0.48739%0.391SS..  trans-128.8126.7178-56.1176.1-179.2179.9-0.8108.6Q37Q37-R145 PolarHBondContact OE1-O 3.39Å; Q37-R145 VanDerWaalsContact OE1-O 3.13Å
146G83.3Confident83.5Confident30 Ų3077.5 Ų77.531%0.30942%0.416SS..SBendtrans140.7177.2-178.500000110.9Y144Y144-G146 WeakPolarHBondContact CE1-O 3.5Å
147E81.7Confident82.6Confident107 Ų10781 Ų8150%0.545%0.452SS..  trans-74.3136178-60.5-175.3166.500110.1Y144 D149 W150Y144-E147 PolarHBondContact OH-O 2.93Å; E147-D149 PolarHBondContact O-N 3.09Å; E147-W150 HydrophobicContact CB-CD2 3.95Å; E147-W150 HydrophobicContact CB-CG 4.07Å; E147-W150 HydrophobicContact CB-CZ2 4.28Å; E147-W150 HydrophobicContact CG-CZ2 3.93Å; E147-W150 PolarHBondContact O-N 3.22Å; E147-W150 PolarHBondContact OE2-NE1 2.86Å
148P78.4Confident81.9Confident89 Ų8986.1 Ų86.158%0.57848%0.48SS*.G310 helixtrans-61.7-26.4176.5-25.335.2000113.8W150P148-W150 PolarHBondContact O-N 3.45Å
149D84.1Confident81.4Confident138 Ų13896.4 Ų96.474%0.73852%0.516SS*.G310 helixtrans-75.8-10.4-176.7-68.7-22.8000113.6E147E147-D149 PolarHBondContact O-N 3.09Å
150W85.9Confident81.1Confident39 Ų39101.5 Ų101.515%0.14853%0.534CS..G310 helixtrans-72.3-31.7-178.1-71.5-0.6000113.2R29 D32 W33 L36 E147 P148R29-W150 WeakPolarHBondContact CD-O 3.49Å; R29-W150 HydrophobicContact CG-CB 3.99Å; R29-W150 HydrophobicContact CG-CD2 4.16Å; R29-W150 HydrophobicContact CG-CG 3.81Å; R29-W150 PolarHBondContact NH1-O 3.22Å; D32-W150 HydrophobicContact CB-CH2 3.94Å; D32-W150 HydrophobicContact CB-CZ2 4.4Å; W33-W150 VanDerWaalsContact CA-CZ3 3.5Å; W33-W150 HydrophobicContact CB-CE3 3.73Å; W33-W150 HydrophobicContact CB-CZ3 3.79Å; W33-W150 HydrophobicContact CG-CE3 4.3Å; L36-W150 HydrophobicContact CD1-CH2 3.48Å; L36-W150 VanDerWaalsContact CD1-CH2 3.48Å; L36-W150 HydrophobicContact CD1-CZ3 3.81Å; E147-W150 HydrophobicContact CB-CD2 3.95Å; E147-W150 HydrophobicContact CB-CG 4.07Å; E147-W150 HydrophobicContact CB-CZ2 4.28Å; E147-W150 HydrophobicContact CG-CZ2 3.93Å; E147-W150 PolarHBondContact O-N 3.22Å; E147-W150 PolarHBondContact OE2-NE1 2.86Å; P148-W150 PolarHBondContact O-N 3.45Å
151F89.4Confident81.3Confident9 Ų9104.7 Ų104.74%0.03954%0.544CS..SBendtrans-132.2167.7178.8-48.6-76.2000110.6L30 W33 L137 Y144L30-F151 HydrophobicContact CD2-CE1 3.82Å; L30-F151 HydrophobicContact CD2-CZ 4.06Å; W33-F151 HydrophobicContact CB-CE2 4.12Å; W33-F151 HydrophobicContact CB-CZ 3.99Å; W33-F151 AromaticContact CD1-CE2 3.74Å; W33-F151 AromaticContact CD2-CE2 3.5Å; W33-F151 HydrophobicContact CD2-CE2 3.5Å; W33-F151 AromaticContact CD2-CZ 3.45Å; W33-F151 HydrophobicContact CD2-CZ 3.45Å; W33-F151 VanDerWaalsContact CD2-CZ 3.45Å; W33-F151 AromaticContact CE2-CE2 3.75Å; W33-F151 HydrophobicContact CE3-CE1 4.47Å; W33-F151 HydrophobicContact CE3-CE2 4.04Å; W33-F151 AromaticContact CE3-CZ 3.52Å; W33-F151 HydrophobicContact CE3-CZ 3.52Å; W33-F151 AromaticContact CG-CE2 3.5Å; W33-F151 HydrophobicContact CG-CE2 3.5Å; W33-F151 VanDerWaalsContact CG-CE2 3.5Å; W33-F151 AromaticContact CG-CZ 3.66Å; W33-F151 HydrophobicContact CG-CZ 3.66Å; W33-F151 HydrophobicContact CZ2-CE2 4.45Å; W33-F151 HydrophobicContact CZ3-CZ 4.19Å; W33-F151 AromaticContact NE1-CE2 3.89Å; L137-F151 HydrophobicContact CD1-CB 3.68Å; L137-F151 HydrophobicContact CD1-CD2 4.38Å; Y144-F151 HydrophobicContact CE2-CD2 4.03Å; Y144-F151 HydrophobicContact CE2-CE2 4.14Å; Y144-F151 VanDerWaalsContact OH-CD2 3.27Å; Y144-F151 WeakPolarHBondContact OH-CD2 3.26Å; Y144-F151 WeakPolarHBondContact OH-CE2 3.43Å
152H86.1Confident81.5Confident145 Ų145104.5 Ų104.567%0.67154%0.539SS*.  trans-108.8137.8-179.1-54.6-63.1000109.9S134 K154S134-H152 WeakPolarHBondContact CA-O 3.35Å; S134-H152 WeakPolarHBondContact CB-O 3.48Å; S134-H152 PolarHBondContact OG-O 2.93Å; H152-K154 PolarHBondContact O-N 3.48Å
153K83.3Confident81.8Confident135 Ų135104.3 Ų104.359%0.58753%0.526SS*.PPolyproline II helixtrans-64126.4171.9-69.4-169.6177.1-164.70109.2L137L137-K153 HydrophobicContact CB-CG 4.21Å; L137-K153 WeakPolarHBondContact O-CE 3.46Å
154K82Confident81.8Confident65 Ų65110.7 Ų110.728%0.28356%0.556SS.*PPolyproline II helixtrans-71134.9174.4-69.6-164.6175.4-171.10108.5D109 M135 T138 H152 Q156D109-K154 IonicContact OD2-NZ 3.06Å; D109-K154 PolarHBondContact OD2-NZ 2.94Å; M135-K154 HydrophobicContact CE-CD 4.14Å; T138-K154 HydrophobicContact CG2-CB 4.4Å; T138-K154 VanDerWaalsContact CG2-O 3.26Å; T138-K154 WeakPolarHBondContact CG2-O 3.33Å; T138-K154 PolarHBondContact OG1-N 3.5Å; H152-K154 PolarHBondContact O-N 3.48Å; K154-Q156 PolarHBondContact O-N 2.78Å
155A73.9Confident81.7Confident108 Ų108112.6 Ų112.689%0.89357%0.567SS**PPolyproline II helixtrans-64.6122.9175.800000109.8
156Q69.9Low81.7Confident139 Ų139111.2 Ų111.265%0.6557%0.566SS**PPolyproline II helixtrans-95134.9173.1-67.4-169.8-17.600110T138 K154 N158T138-Q156 HydrophobicContact CG2-CG 3.7Å; K154-Q156 PolarHBondContact O-N 2.78Å; Q156-N158 PolarHBondContact O-N 2.8Å
157G73Confident81.8Confident76 Ų76114 Ų11478%0.78457%0.573SS**  trans-68.4113.517500000110.5R159G157-R159 PolarHBondContact O-N 3.31Å; G157-R159 VanDerWaalsContact O-N 3.11Å
158N75.3Confident81.9Confident121 Ų121116.6 Ų116.665%0.64758%0.578SS**  trans-8186.8171.4-1744.6000109.5Q156 R160Q156-N158 PolarHBondContact O-N 2.8Å; N158-R160 PolarHBondContact O-N 3.45Å; N158-R160 VanDerWaalsContact O-N 3.14Å
159R76.6Confident82.2Confident236 Ų236117.4 Ų117.489%0.89157%0.574SS**  trans-72.6103170.9-76.7-175.1171.7163.8-1.3108.5G157 E161G157-R159 PolarHBondContact O-N 3.31Å; G157-R159 VanDerWaalsContact O-N 3.11Å; R159-E161 PolarHBondContact O-N 2.98Å
160R77.9Confident82Confident179 Ų179112.8 Ų112.868%0.67556%0.559SS**  trans-82.3112.5173.9-63.5-179.3-177.5-176.9-0.4108.6N158 F162N158-R160 PolarHBondContact O-N 3.45Å; N158-R160 VanDerWaalsContact O-N 3.14Å; R160-F162 HydrophobicContact CB-CE2 4.45Å; R160-F162 HydrophobicContact CB-CZ 4.17Å
161E83.4Confident81.7Confident189 Ų189121.4 Ų121.488%0.88359%0.591SS**PPolyproline II helixtrans-85.1124.1168.3-63.5-170.814800108.3R159R159-E161 PolarHBondContact O-N 2.98Å
162F86.6Confident81.2Confident106 Ų106125.4 Ų125.447%0.46562%0.621SS.*PPolyproline II helixtrans-96.7143.1175.4-60.9-70000108.9R160 Q166 L167R160-F162 HydrophobicContact CB-CE2 4.45Å; R160-F162 HydrophobicContact CB-CZ 4.17Å; F162-Q166 HydrophobicContact CB-CB 4.46Å; F162-Q166 HydrophobicContact CB-CG 4.44Å; F162-Q166 HydrophobicContact CD1-CG 4.34Å; F162-L167 HydrophobicContact CB-CD2 3.9Å; F162-L167 HydrophobicContact CB-CG 3.93Å; F162-L167 HydrophobicContact CD2-CD2 4.29Å; F162-L167 HydrophobicContact CG-CD2 4.47Å
163S88.1Confident80.5Confident67 Ų67125 Ų12547%0.46962%0.623SS.*PPolyproline II helixtrans-63.6153.5174.267.90000110.8E165 Q166 L167S163-E165 PolarHBondContact O-N 3.18Å; S163-Q166 WeakPolarHBondContact O-CB 3.41Å; S163-Q166 PolarHBondContact O-N 3.31Å; S163-Q166 VanDerWaalsContact OG-CB 3.3Å; S163-Q166 WeakPolarHBondContact OG-CB 3.43Å; S163-Q166 PolarHBondContact OG-N 2.95Å; S163-L167 WeakPolarHBondContact O-CG 3.39Å; S163-L167 PolarHBondContact O-N 3.37Å
164E86.4Confident79.6Confident175 Ų175125.4 Ų125.482%0.81863%0.63SS**Hα-helixtrans-55.9-37.8176-79.5-163.4147.200112.2L167 R168E164-L167 PolarHBondContact O-N 2.85Å; E164-R168 WeakPolarHBondContact O-CB 2.96Å; E164-R168 PolarHBondContact O-N 3.49Å
165E85.3Confident78.9Confident83 Ų83124.4 Ų124.439%0.38864%0.638SS.*Hα-helixtrans-65.3-40.8177-175.557.5-157.300111.6S163 R168 Q169S163-E165 PolarHBondContact O-N 3.18Å; E165-R168 PolarHBondContact O-N 3.12Å; E165-R168 IonicContact OE1-CZ 3.96Å; E165-R168 IonicContact OE1-NE 3.7Å; E165-R168 IonicContact OE1-NH2 3.57Å; E165-R168 PolarHBondContact OE1-NH2 2.96Å; E165-R168 IonicContact OE2-CZ 3.71Å; E165-R168 IonicContact OE2-NE 3.35Å; E165-R168 PolarHBondContact OE2-NE 2.92Å; E165-R168 VanDerWaalsContact OE2-NE 3.09Å; E165-R168 IonicContact OE2-NH2 2.77Å; E165-R168 PolarHBondContact OE2-NH2 3.22Å; E165-Q169 WeakPolarHBondContact O-CB 3.5Å; E165-Q169 VanDerWaalsContact O-CG 3.3Å; E165-Q169 WeakPolarHBondContact O-CG 3.27Å; E165-Q169 PolarHBondContact O-N 3.31Å; E165-Q169 PolarHBondContact OE1-NE2 2.99Å; E165-Q169 VanDerWaalsContact OE1-NE2 3.16Å
166Q84.4Confident78.3Confident100 Ų100127.9 Ų127.947%0.46764%0.638SS.*Hα-helixtrans-66.6-38.5175.7-173.7173.8-6.100111.8F162 S163 R168 G170F162-Q166 HydrophobicContact CB-CB 4.46Å; F162-Q166 HydrophobicContact CB-CG 4.44Å; F162-Q166 HydrophobicContact CD1-CG 4.34Å; S163-Q166 WeakPolarHBondContact O-CB 3.41Å; S163-Q166 PolarHBondContact O-N 3.31Å; S163-Q166 VanDerWaalsContact OG-CB 3.3Å; S163-Q166 WeakPolarHBondContact OG-CB 3.43Å; S163-Q166 PolarHBondContact OG-N 2.95Å; Q166-R168 VanDerWaalsContact C-N 3.34Å; Q166-G170 PolarHBondContact O-N 2.77Å
167L86.2Confident77.9Confident89 Ų89130.9 Ų130.947%0.46665%0.652SS.*Hα-helixtrans-65.1-38.2172.7-68.8173000111.6F162 S163 E164 G170 R171F162-L167 HydrophobicContact CB-CD2 3.9Å; F162-L167 HydrophobicContact CB-CG 3.93Å; F162-L167 HydrophobicContact CD2-CD2 4.29Å; F162-L167 HydrophobicContact CG-CD2 4.47Å; S163-L167 WeakPolarHBondContact O-CG 3.39Å; S163-L167 PolarHBondContact O-N 3.37Å; E164-L167 PolarHBondContact O-N 2.85Å; L167-G170 PolarHBondContact O-N 3.35Å; L167-R171 PolarHBondContact O-N 3.44Å
168R84.3Confident77.3Confident160 Ų160134.6 Ų134.660%0.60465%0.651SS**Hα-helixtrans-67.5-43.4177.6-166.417973.3156.43.7111.7E164 E165 Q166 G170 R171E164-R168 WeakPolarHBondContact O-CB 2.96Å; E164-R168 PolarHBondContact O-N 3.49Å; E165-R168 PolarHBondContact O-N 3.12Å; E165-R168 IonicContact OE1-CZ 3.96Å; E165-R168 IonicContact OE1-NE 3.7Å; E165-R168 IonicContact OE1-NH2 3.57Å; E165-R168 PolarHBondContact OE1-NH2 2.96Å; E165-R168 IonicContact OE2-CZ 3.71Å; E165-R168 IonicContact OE2-NE 3.35Å; E165-R168 PolarHBondContact OE2-NE 2.92Å; E165-R168 VanDerWaalsContact OE2-NE 3.09Å; E165-R168 IonicContact OE2-NH2 2.77Å; E165-R168 PolarHBondContact OE2-NH2 3.22Å; Q166-R168 VanDerWaalsContact C-N 3.34Å; R168-G170 VanDerWaalsContact C-N 3.26Å; R168-G170 PolarHBondContact O-N 2.88Å; R168-R171 WeakPolarHBondContact O-CB 3.38Å; R168-R171 PolarHBondContact O-N 3.47Å; R168-R171 VanDerWaalsContact O-N 3.13Å
169Q83.8Confident76.3Confident107 Ų107131.7 Ų131.750%0.565%0.649SS.*Hα-helixtrans-64.3-32.1172.4-70174.89.900111.9E165 R171 S172E165-Q169 WeakPolarHBondContact O-CB 3.5Å; E165-Q169 VanDerWaalsContact O-CG 3.3Å; E165-Q169 WeakPolarHBondContact O-CG 3.27Å; E165-Q169 PolarHBondContact O-N 3.31Å; E165-Q169 PolarHBondContact OE1-NE2 2.99Å; E165-Q169 VanDerWaalsContact OE1-NE2 3.16Å; Q169-R171 VanDerWaalsContact C-N 3.26Å; Q169-R171 PolarHBondContact O-N 2.98Å; Q169-S172 PolarHBondContact O-N 3.12Å; Q169-S172 PolarHBondContact O-OG 3.06Å
170G81.3Confident75.3Confident40 Ų40123.4 Ų123.441%0.41264%0.637SS.*Hα-helixtrans-62.1-30.7171.900000113.6Q166 L167 R168 S172 L173Q166-G170 PolarHBondContact O-N 2.77Å; L167-G170 PolarHBondContact O-N 3.35Å; R168-G170 VanDerWaalsContact C-N 3.26Å; R168-G170 PolarHBondContact O-N 2.88Å; G170-S172 VanDerWaalsContact C-N 3.35Å; G170-L173 PolarHBondContact O-N 2.78Å
171R79.4Confident74.1Confident220 Ų220121.6 Ų121.683%0.8364%0.641SS**Hα-helixtrans-73.8-22.7179.2-65.2177.1-172.8-167.82.4113.6L167 R168 Q169L167-R171 PolarHBondContact O-N 3.44Å; R168-R171 WeakPolarHBondContact O-CB 3.38Å; R168-R171 PolarHBondContact O-N 3.47Å; R168-R171 VanDerWaalsContact O-N 3.13Å; Q169-R171 VanDerWaalsContact C-N 3.26Å; Q169-R171 PolarHBondContact O-N 2.98Å
172S78.2Confident72.7Confident94 Ų94118.7 Ų118.766%0.65764%0.641SS**Hα-helixtrans-83.6-14176.860.80000113.1Q169 G170 I174Q169-S172 PolarHBondContact O-N 3.12Å; Q169-S172 PolarHBondContact O-OG 3.06Å; G170-S172 VanDerWaalsContact C-N 3.35Å; S172-I174 PolarHBondContact O-N 3.28Å
173L70.5Confident71.2Confident137 Ų137117.2 Ų117.272%0.71766%0.656SS**SBendtrans-86.2105.7175.8-71.6161.5000109.9G170 G175G170-L173 PolarHBondContact O-N 2.78Å; L173-G175 PolarHBondContact O-N 3.4Å
174I65.1Low69.6Low142 Ų142117.4 Ų117.473%0.72866%0.662SS**  trans-71.5115.7173.5-60.4176.7000108.5S172 M178S172-I174 PolarHBondContact O-N 3.28Å; I174-M178 HydrophobicContact CG2-CB 3.69Å
175G66.8Low68.4Low44 Ų44113.2 Ų113.245%0.45465%0.652SS.*  trans-63.6146.5178.700000112.3L173 Q177 M178L173-G175 PolarHBondContact O-N 3.4Å; G175-Q177 PolarHBondContact O-N 2.84Å; G175-M178 WeakPolarHBondContact O-CB 3.47Å; G175-M178 PolarHBondContact O-N 3.14Å
176M62.7Low66.9Low182 Ų182117.2 Ų117.290%0.89767%0.671SS**G310 helixtrans-57.6-21.1-176.1-155.6-178.8-71.400114.2
177Q61.1Low65.3Low201 Ų201117 Ų11794%0.93968%0.68SS**G310 helixtrans-78.2-13.5175-71.8-173.6-10.100114.4G175 G179G175-Q177 PolarHBondContact O-N 2.84Å; Q177-G179 PolarHBondContact O-N 2.65Å
178M59.9Low64Low155 Ų155116.3 Ų116.376%0.76469%0.694SS**G310 helixtrans-84.620.7176.4-73.4-74.8-76.700112.8I174 G175I174-M178 HydrophobicContact CG2-CB 3.69Å; G175-M178 WeakPolarHBondContact O-CB 3.47Å; G175-M178 PolarHBondContact O-N 3.14Å
179G55.4Low62.7Low59 Ų59115.7 Ų115.761%0.60870%0.7SS**THydrogen-bonded Turntrans77.1100.617900000112.1Q177 N181Q177-G179 PolarHBondContact O-N 2.65Å; G179-N181 PolarHBondContact O-N 3.08Å
180G53.8Low61.6Low62 Ų62115.6 Ų115.664%0.63971%0.707SS**  trans-71.2124.7166.800000110.9S182G180-S182 PolarHBondContact O-N 2.8Å
181N54.5Low60.8Low142 Ų142116.1 Ų116.176%0.75971%0.713SS**SBendtrans-64.6-26.8166.9161.1-13.9000111.4G179 G183G179-N181 PolarHBondContact O-N 3.08Å; N181-G183 PolarHBondContact O-N 3.14Å
182S53.5Low59.6Low127 Ų127117.9 Ų117.989%0.88872%0.721SS**THydrogen-bonded Turntrans-78.947.6-169.4-52.30000115.4G180G180-S182 PolarHBondContact O-N 2.8Å
183G54.5Low58.8Low75 Ų75117.2 Ų117.277%0.77373%0.729SS**THydrogen-bonded Turntrans-165.4-21.8172.200000114.8N181N181-G183 PolarHBondContact O-N 3.14Å
184A54.7Low58.4Low72 Ų72117 Ų11760%0.59573%0.726SS**  trans-10481.4171.600000108.8Q186A184-Q186 PolarHBondContact O-N 2.96Å
185S61.1Low58.3Low86 Ų86116 Ų11660%0.60173%0.728SS**  trans-58.2127.616357.60000107.4S187S185-S187 WeakPolarHBondContact CB-OG 3.13Å; S185-S187 PolarHBondContact O-N 3.39Å; S185-S187 PolarHBondContact OG-OG 3.15Å
186Q53.6Low58.1Low168 Ų168125.1 Ų125.179%0.78575%0.749SS**SBendtrans-60.91.7175.8-162.1-178.111.500112.8A184 G188 M189A184-Q186 PolarHBondContact O-N 2.96Å; Q186-G188 PolarHBondContact O-N 3.36Å; Q186-M189 PolarHBondContact O-N 3.4Å
187S52Low58.1Low95 Ų95126.1 Ų126.166%0.66475%0.752SS**THydrogen-bonded Turntrans-64.4100.3169.7590000110.1S185S185-S187 WeakPolarHBondContact CB-OG 3.13Å; S185-S187 PolarHBondContact O-N 3.39Å; S185-S187 PolarHBondContact OG-OG 3.15Å
188G58.4Low57.9Low74 Ų74124.4 Ų124.476%0.76375%0.747SS**THydrogen-bonded Turntrans110.3-2.8173.800000115.5Q186 T190Q186-G188 PolarHBondContact O-N 3.36Å; G188-T190 PolarHBondContact O-N 3.44Å
189M56.1Low57.1Low147 Ų147129.3 Ų129.372%0.72477%0.771SS**  trans-77.4103169-73.7-172.774.600109.8Q186 G191Q186-M189 PolarHBondContact O-N 3.4Å; M189-G191 PolarHBondContact O-N 3.43Å
190T61.5Low57.2Low105 Ų105132.9 Ų132.964%0.64478%0.779SS**PPolyproline II helixtrans-67116.2170.955.70000109G188 M194G188-T190 PolarHBondContact O-N 3.44Å; T190-M194 HydrophobicContact CG2-SD 3.66Å
191G63.2Low57.4Low52 Ų52136.6 Ų136.654%0.53679%0.787SS.*PPolyproline II helixtrans-59.7152.4175.200000112.1M189 G193 M194M189-G191 PolarHBondContact O-N 3.43Å; G191-G193 PolarHBondContact O-N 3.32Å; G191-G193 VanDerWaalsContact O-N 3.11Å; G191-M194 PolarHBondContact O-N 2.9Å
192Y55.4Low57.5Low257 Ų257136.3 Ų136.3100%1.00879%0.788SS**THydrogen-bonded Turntrans-52.1118.6172.2-93.5-88.7000109.7
193G61.4Low57.8Low79 Ų79136.8 Ų136.881%0.81478%0.782SS**THydrogen-bonded Turntrans113.82.5178.900000116.3G191G191-G193 PolarHBondContact O-N 3.32Å; G191-G193 VanDerWaalsContact O-N 3.11Å
194M62Low58Low134 Ų134140.7 Ų140.766%0.6678%0.783SS**PPolyproline II helixtrans-69.3132.3172.3-94.9-171.2172.200112T190 G191T190-M194 HydrophobicContact CG2-SD 3.66Å; G191-M194 PolarHBondContact O-N 2.9Å
195P62.7Low58.2Low119 Ų119145.3 Ų145.377%0.77380%0.796SS**PPolyproline II helixtrans-68.6141.6177.427-32.1000111Q197P195-Q197 PolarHBondContact O-N 3.11Å
196R62Low58Low237 Ų237149.5 Ų149.589%0.89481%0.809SS**PPolyproline II helixtrans-63.5120.5176.7-75.4-176.5175-178.6-1.7109.7I198R196-I198 WeakPolarHBondContact O-CG1 3.11Å; R196-I198 PolarHBondContact O-N 2.94Å
197Q63.7Low58.3Low203 Ų203148.1 Ų148.195%0.94981%0.811SS**PPolyproline II helixtrans-70.7116.7164.6-79.2-171.8-31.300108.5P195P195-Q197 PolarHBondContact O-N 3.11Å
198I57.3Low58.9Low164 Ų164152.5 Ų152.584%0.84182%0.824SS**  trans-104124.1175.5-22.4177.1000106R196R196-I198 WeakPolarHBondContact O-CG1 3.11Å; R196-I198 PolarHBondContact O-N 2.94Å
199M42.4Very low58.9Low259 Ų259159.6 Ų159.6100%1.27683%0.829SS**  trans-122.60165.8-165.7171.9-166.900108.4

Retrieved 199 of 199 residues in 257.9 ms (Link to these results)

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