A0A087Y8P2_POEFO Loading...

Migration and invasion inhibitory protein

AlphaFold DB , UniProt , Accession A0A087Y8P2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 395 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
1M51Low79.5Confident233 Ų233114.2 Ų114.2100%1.14860%0.596SS**  064.10-58.4-51.1-174.500110.8
2S60Low80.7Confident83 Ų83119 Ų11958%0.5860%0.6SS**  trans-1492176.9-170.10000113.9
3T64.8Low81.7Confident88 Ų88117.4 Ų117.454%0.5459%0.594SS.*Hα-helixtrans-68.7-39.2176.6420000111L5 T6 D7T3-L5 VanDerWaalsContact C-N 3.35Å; T3-L5 PolarHBondContact O-N 3.31Å; T3-T6 PolarHBondContact O-N 3.36Å; T3-T6 PolarHBondContact O-OG1 3.41Å; T3-D7 PolarHBondContact O-N 2.8Å
4D74.6Confident82.7Confident113 Ų113119.4 Ų119.460%0.60460%0.597SS**Hα-helixtrans-65.4-37.3-172.9-55-1.3000112.3D7 V8D4-D7 PolarHBondContact O-N 3.44Å; D4-V8 WeakPolarHBondContact O-CG2 3.16Å; D4-V8 PolarHBondContact O-N 3.13Å
5L84.6Confident83.6Confident114 Ų114121 Ų12160%0.59760%0.595SS**Hα-helixtrans-67.3-38.4175.5-176.166.1000111.7T3 D7 L9T3-L5 VanDerWaalsContact C-N 3.35Å; T3-L5 PolarHBondContact O-N 3.31Å; L5-D7 VanDerWaalsContact C-N 3.32Å; L5-L9 HydrophobicContact CG-CD1 4.48Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 2.98Å; L5-L9 VanDerWaalsContact O-N 3.07Å
6T86.2Confident84.3Confident63 Ų63118.1 Ų118.139%0.38758%0.582SS.*Hα-helixtrans-69.7-33.4177.855.60000112T3 L9 R10T3-T6 PolarHBondContact O-N 3.36Å; T3-T6 PolarHBondContact O-OG1 3.41Å; T6-L9 PolarHBondContact O-N 2.93Å; T6-R10 VanDerWaalsContact O-CG 3.26Å; T6-R10 WeakPolarHBondContact O-CG 3.43Å; T6-R10 PolarHBondContact O-N 3.49Å
7D89.1Confident85Confident74 Ų74118 Ų11840%0.39658%0.583SS.*Hα-helixtrans-72.7-40.2177.4-66.2-33.5000111.3T3 D4 L5 L9 R10 E11T3-D7 PolarHBondContact O-N 2.8Å; D4-D7 PolarHBondContact O-N 3.44Å; L5-D7 VanDerWaalsContact C-N 3.32Å; D7-L9 VanDerWaalsContact C-N 3.3Å; D7-L9 PolarHBondContact O-N 3.41Å; D7-R10 WeakPolarHBondContact O-CB 3.46Å; D7-R10 PolarHBondContact O-N 3.46Å; D7-R10 VanDerWaalsContact O-N 3.12Å; D7-E11 PolarHBondContact O-N 3.15Å
8V91Very high85.6Confident88 Ų88118.2 Ų118.253%0.53358%0.582SS.*Hα-helixtrans-59.5-40.6171.3170.70000111.7D4 E11 R12D4-V8 WeakPolarHBondContact O-CG2 3.16Å; D4-V8 PolarHBondContact O-N 3.13Å; V8-E11 PolarHBondContact O-N 2.78Å; V8-R12 WeakPolarHBondContact O-CB 3.5Å; V8-R12 PolarHBondContact O-N 3.2Å
9L89.2Confident86.1Confident88 Ų88115.9 Ų115.946%0.46157%0.57SS.*Hα-helixtrans-68.9-35.1176.1-71.7172.4000112.5L5 T6 D7 R12 N13L5-L9 HydrophobicContact CG-CD1 4.48Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 2.98Å; L5-L9 VanDerWaalsContact O-N 3.07Å; T6-L9 PolarHBondContact O-N 2.93Å; D7-L9 VanDerWaalsContact C-N 3.3Å; D7-L9 PolarHBondContact O-N 3.41Å; L9-R12 PolarHBondContact O-N 2.87Å; L9-N13 WeakPolarHBondContact O-CB 3.49Å; L9-N13 PolarHBondContact O-N 2.91Å; L9-N13 PolarHBondContact O-ND2 3.49Å
10R91.2Very high86.5Confident170 Ų170115.5 Ų115.564%0.64257%0.57SS**Hα-helixtrans-66-43.7174.7-75171.2-173.7-163.33.2111.4T6 D7 N13 K14T6-R10 VanDerWaalsContact O-CG 3.26Å; T6-R10 WeakPolarHBondContact O-CG 3.43Å; T6-R10 PolarHBondContact O-N 3.49Å; D7-R10 WeakPolarHBondContact O-CB 3.46Å; D7-R10 PolarHBondContact O-N 3.46Å; D7-R10 VanDerWaalsContact O-N 3.12Å; R10-N13 PolarHBondContact O-N 3.34Å; R10-K14 WeakPolarHBondContact O-CB 3.47Å; R10-K14 PolarHBondContact O-N 3.36Å
11E93.3Very high86.8Confident142 Ų142118.9 Ų118.966%0.66458%0.576SS**Hα-helixtrans-63.2-43175.5-74-171.9162.900111.8D7 V8 N13 K14 Y15D7-E11 PolarHBondContact O-N 3.15Å; V8-E11 PolarHBondContact O-N 2.78Å; E11-N13 PolarHBondContact O-N 2.76Å; E11-K14 WeakPolarHBondContact O-CB 3.41Å; E11-K14 PolarHBondContact O-N 3.41Å; E11-Y15 PolarHBondContact O-N 3.41Å
12R93.3Very high88.8Confident172 Ų172112.4 Ų112.465%0.64954%0.543SS*.Hα-helixtrans-62.4-43.3175.8-172174.3-179.9174.30.2112.1V8 L9 K14 Y15 L16V8-R12 WeakPolarHBondContact O-CB 3.5Å; V8-R12 PolarHBondContact O-N 3.2Å; L9-R12 PolarHBondContact O-N 2.87Å; R12-K14 VanDerWaalsContact C-N 3.34Å; R12-Y15 PolarHBondContact O-N 3.29Å; R12-L16 HydrophobicContact CG-CD1 4.37Å; R12-L16 VanDerWaalsContact O-CG 3.31Å; R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 3.01Å
13N94.1Very high90.3Very high98 Ų98114.6 Ų114.652%0.52454%0.544SS..Hα-helixtrans-64.5-38.9175.7-82-26.3000112L9 R10 E11 L16 L17L9-N13 WeakPolarHBondContact O-CB 3.49Å; L9-N13 PolarHBondContact O-N 2.91Å; L9-N13 PolarHBondContact O-ND2 3.49Å; R10-N13 PolarHBondContact O-N 3.34Å; E11-N13 PolarHBondContact O-N 2.76Å; N13-L16 PolarHBondContact O-N 2.93Å; N13-L17 VanDerWaalsContact O-CG 3.29Å; N13-L17 WeakPolarHBondContact O-CG 3.24Å; N13-L17 PolarHBondContact O-N 3.22Å
14K95.9Very high91.5Very high145 Ų145118.5 Ų118.563%0.6355%0.549SS*.Hα-helixtrans-60-47174.8-173.6-178.1176.9-173.80111.1R10 E11 R12 L16 L17 E18R10-K14 WeakPolarHBondContact O-CB 3.47Å; R10-K14 PolarHBondContact O-N 3.36Å; E11-K14 WeakPolarHBondContact O-CB 3.41Å; E11-K14 PolarHBondContact O-N 3.41Å; R12-K14 VanDerWaalsContact C-N 3.34Å; K14-L16 PolarHBondContact O-N 3.49Å; K14-L17 PolarHBondContact O-N 2.88Å; K14-E18 PolarHBondContact O-N 3.07Å
15Y95.5Very high92.2Very high144 Ų144117.3 Ų117.357%0.56554%0.54SS*.Hα-helixtrans-61.2-42.8177.1-178.7-100.9000112.6E11 R12 L17 E18 Q19E11-Y15 PolarHBondContact O-N 3.41Å; R12-Y15 PolarHBondContact O-N 3.29Å; Y15-L17 PolarHBondContact O-N 3.32Å; Y15-E18 PolarHBondContact O-N 2.98Å; Y15-Q19 HydrophobicContact CD1-CG 4.33Å; Y15-Q19 HydrophobicContact CE1-CG 3.91Å; Y15-Q19 PolarHBondContact O-N 3.21Å; Y15-Q19 PolarHBondContact OH-NE2 3.26Å
16L95.6Very high92.5Very high74 Ų74116.5 Ų116.539%0.38753%0.532SS..Hα-helixtrans-64.2-39177.2-71.3171.8000112.4R12 N13 K14 E18 Q19 L20R12-L16 HydrophobicContact CG-CD1 4.37Å; R12-L16 VanDerWaalsContact O-CG 3.31Å; R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 3.01Å; N13-L16 PolarHBondContact O-N 2.93Å; K14-L16 PolarHBondContact O-N 3.49Å; L16-E18 VanDerWaalsContact C-N 3.31Å; L16-Q19 PolarHBondContact O-N 2.88Å; L16-L20 WeakPolarHBondContact O-CG 3.3Å; L16-L20 PolarHBondContact O-N 3.33Å
17L94.9Very high92.4Very high117 Ų117119.2 Ų119.261%0.61354%0.543SS*.Hα-helixtrans-65.2-37.3175.5-72.5171000111.9N13 K14 Y15 L20 R21N13-L17 VanDerWaalsContact O-CG 3.29Å; N13-L17 WeakPolarHBondContact O-CG 3.24Å; N13-L17 PolarHBondContact O-N 3.22Å; K14-L17 PolarHBondContact O-N 2.88Å; Y15-L17 PolarHBondContact O-N 3.32Å; L17-L20 PolarHBondContact O-N 3.38Å; L17-R21 PolarHBondContact O-N 3.28Å
18E95.8Very high92.2Very high121 Ų121121.1 Ų121.157%0.56555%0.55SS*.Hα-helixtrans-67.3-42.5176.7-158.5133.3-142.700111.3K14 Y15 L16 L20 R21 E22K14-E18 PolarHBondContact O-N 3.07Å; Y15-E18 PolarHBondContact O-N 2.98Å; L16-E18 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.48Å; E18-R21 PolarHBondContact O-N 3.35Å; E18-E22 PolarHBondContact O-N 2.89Å
19Q95Very high91.6Very high75 Ų75124.5 Ų124.535%0.3555%0.553SS.*Hα-helixtrans-60.9-42.4172.3-74.7-169.3-33.900112.7Y15 L16 R21 E22 Q23Y15-Q19 HydrophobicContact CD1-CG 4.33Å; Y15-Q19 HydrophobicContact CE1-CG 3.91Å; Y15-Q19 PolarHBondContact O-N 3.21Å; Y15-Q19 PolarHBondContact OH-NE2 3.26Å; L16-Q19 PolarHBondContact O-N 2.88Å; Q19-R21 VanDerWaalsContact C-N 3.32Å; Q19-R21 PolarHBondContact O-N 3.19Å; Q19-E22 PolarHBondContact O-N 3.14Å; Q19-Q23 WeakPolarHBondContact O-CG 3.18Å; Q19-Q23 PolarHBondContact O-N 3.38Å
20L94.2Very high91Very high107 Ų107126.5 Ų126.556%0.5657%0.569SS**Hα-helixtrans-65.2-36.9177.1-74.8173.6000112.1L16 L17 E18 Q23 R24L16-L20 WeakPolarHBondContact O-CG 3.3Å; L16-L20 PolarHBondContact O-N 3.33Å; L17-L20 PolarHBondContact O-N 3.38Å; E18-L20 PolarHBondContact O-N 3.48Å; L20-Q23 PolarHBondContact O-N 2.87Å; L20-R24 WeakPolarHBondContact O-CB 3.4Å; L20-R24 PolarHBondContact O-N 3.22Å
21R92.8Very high90.2Very high187 Ų187121.5 Ų121.571%0.70656%0.56SS**Hα-helixtrans-65-43.9174.5-175.8-178.8-107.5-175.9-5.9111L17 E18 Q19 R24 E25L17-R21 PolarHBondContact O-N 3.28Å; E18-R21 PolarHBondContact O-N 3.35Å; Q19-R21 VanDerWaalsContact C-N 3.32Å; Q19-R21 PolarHBondContact O-N 3.19Å; R21-R24 PolarHBondContact O-N 3.08Å; R21-E25 PolarHBondContact O-N 2.96Å
22E93.8Very high88.9Confident97 Ų97118 Ų11845%0.45356%0.561SS.*Hα-helixtrans-65.7-39.3177.5-162.9-167.7164.100111.9E18 Q19 E25 K26E18-E22 PolarHBondContact O-N 2.89Å; Q19-E22 PolarHBondContact O-N 3.14Å; E22-E25 PolarHBondContact O-N 3.37Å; E22-K26 HydrophobicContact CG-CD 4.47Å; E22-K26 WeakPolarHBondContact O-CB 3.38Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.35Å; E22-K26 PolarHBondContact O-N 2.99Å; E22-K26 WeakPolarHBondContact OE1-CE 3.47Å; E22-K26 IonicContact OE1-NZ 3.45Å; E22-K26 PolarHBondContact OE1-NZ 3.34Å; E22-K26 IonicContact OE2-NZ 2.67Å
23Q91.6Very high86.9Confident129 Ų129113.9 Ų113.960%0.60356%0.559SS**Hα-helixtrans-65.1-42174.4-76.6-163.4-14.300112.2Q19 L20 E25 K26 L27Q19-Q23 WeakPolarHBondContact O-CG 3.18Å; Q19-Q23 PolarHBondContact O-N 3.38Å; L20-Q23 PolarHBondContact O-N 2.87Å; Q23-E25 VanDerWaalsContact C-N 3.33Å; Q23-E25 PolarHBondContact O-N 3.49Å; Q23-K26 PolarHBondContact O-N 2.87Å; Q23-L27 VanDerWaalsContact O-CB 3.26Å; Q23-L27 WeakPolarHBondContact O-CB 3.26Å; Q23-L27 PolarHBondContact O-N 3.42Å
24R89.8Confident84.8Confident170 Ų170114.3 Ų114.364%0.64257%0.57SS**Hα-helixtrans-58.1-47.4172.9174.2-169.6-77.5-1111.7110.7L20 R21 L27 E28L20-R24 WeakPolarHBondContact O-CB 3.4Å; L20-R24 PolarHBondContact O-N 3.22Å; R21-R24 PolarHBondContact O-N 3.08Å; R24-L27 CarbonylContact O-C 3.49Å; R24-L27 PolarHBondContact O-N 3.03Å; R24-E28 HydrophobicContact CG-CG 4.42Å; R24-E28 WeakPolarHBondContact CG-OE1 3.36Å; R24-E28 WeakPolarHBondContact O-CB 3.38Å; R24-E28 WeakPolarHBondContact O-CG 3.42Å; R24-E28 PolarHBondContact O-N 2.77Å
25E90.2Very high82.7Confident89 Ų89115.5 Ų115.542%0.41658%0.582SS.*Hα-helixtrans-66.4-41-178.5-162.1-169.5158.500111.8R21 E22 Q23 L27 E28 R29R21-E25 PolarHBondContact O-N 2.96Å; E22-E25 PolarHBondContact O-N 3.37Å; Q23-E25 VanDerWaalsContact C-N 3.33Å; Q23-E25 PolarHBondContact O-N 3.49Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 2.87Å; E25-E28 PolarHBondContact O-N 3.21Å; E25-R29 WeakPolarHBondContact O-CB 3.4Å; E25-R29 WeakPolarHBondContact O-CG 3.5Å; E25-R29 PolarHBondContact O-N 2.78Å; E25-R29 IonicContact OE1-CZ 3.03Å; E25-R29 IonicContact OE1-NE 3.36Å; E25-R29 PolarHBondContact OE1-NE 2.98Å; E25-R29 IonicContact OE1-NH2 2.76Å; E25-R29 PolarHBondContact OE1-NH2 3.03Å; E25-R29 IonicContact OE2-NH2 3.05Å; E25-R29 PolarHBondContact OE2-NH2 3.47Å
26K89.8Confident80.5Confident96 Ų96113.9 Ų113.942%0.41759%0.592SS.*Hα-helixtrans-59.7-42.1172-76172.9-177.4167.80111.3E22 Q23 R29 V30E22-K26 HydrophobicContact CG-CD 4.47Å; E22-K26 WeakPolarHBondContact O-CB 3.38Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.35Å; E22-K26 PolarHBondContact O-N 2.99Å; E22-K26 WeakPolarHBondContact OE1-CE 3.47Å; E22-K26 IonicContact OE1-NZ 3.45Å; E22-K26 PolarHBondContact OE1-NZ 3.34Å; E22-K26 IonicContact OE2-NZ 2.67Å; Q23-K26 PolarHBondContact O-N 2.87Å; K26-R29 PolarHBondContact O-N 3.44Å; K26-V30 WeakPolarHBondContact O-CB 3.4Å; K26-V30 VanDerWaalsContact O-CG2 3.23Å; K26-V30 WeakPolarHBondContact O-CG2 3.27Å; K26-V30 PolarHBondContact O-N 2.93Å
27L85.5Confident78.3Confident120 Ų120122.5 Ų122.563%0.62862%0.619SS**Hα-helixtrans-69.1-39179-159.1143000111.4Q23 R24 E25 V30 S31Q23-L27 VanDerWaalsContact O-CB 3.26Å; Q23-L27 WeakPolarHBondContact O-CB 3.26Å; Q23-L27 PolarHBondContact O-N 3.42Å; R24-L27 CarbonylContact O-C 3.49Å; R24-L27 PolarHBondContact O-N 3.03Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 2.87Å; L27-V30 PolarHBondContact O-N 3.23Å; L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.07Å; L27-S31 PolarHBondContact O-OG 3.06Å; L27-S31 VanDerWaalsContact O-OG 3.14Å
28E83.4Confident75.8Confident115 Ų115126.8 Ų126.854%0.53763%0.633SS.*Hα-helixtrans-65.5-36.2173.5-76.3177.4-171.400112.3R24 E25R24-E28 HydrophobicContact CG-CG 4.42Å; R24-E28 WeakPolarHBondContact CG-OE1 3.36Å; R24-E28 WeakPolarHBondContact O-CB 3.38Å; R24-E28 WeakPolarHBondContact O-CG 3.42Å; R24-E28 PolarHBondContact O-N 2.77Å; E25-E28 PolarHBondContact O-N 3.21Å
29R78.7Confident73.5Confident158 Ų158132.3 Ų132.360%0.59665%0.648SS**Hα-helixtrans-69.2-35173-71.2-172.7-134.8132.6-6.3112.5E25 K26E25-R29 WeakPolarHBondContact O-CB 3.4Å; E25-R29 WeakPolarHBondContact O-CG 3.5Å; E25-R29 PolarHBondContact O-N 2.78Å; E25-R29 IonicContact OE1-CZ 3.03Å; E25-R29 IonicContact OE1-NE 3.36Å; E25-R29 PolarHBondContact OE1-NE 2.98Å; E25-R29 IonicContact OE1-NH2 2.76Å; E25-R29 PolarHBondContact OE1-NH2 3.03Å; E25-R29 IonicContact OE2-NH2 3.05Å; E25-R29 PolarHBondContact OE2-NH2 3.47Å; K26-R29 PolarHBondContact O-N 3.44Å
30V77.5Confident70.9Confident131 Ų131130.6 Ų130.679%0.79465%0.651SS**Hα-helixtrans-81.5-32.9179172.70000112.1K26 L27 G32K26-V30 WeakPolarHBondContact O-CB 3.4Å; K26-V30 VanDerWaalsContact O-CG2 3.23Å; K26-V30 WeakPolarHBondContact O-CG2 3.27Å; K26-V30 PolarHBondContact O-N 2.93Å; L27-V30 PolarHBondContact O-N 3.23Å; V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 3.06Å
31S72.9Confident68.5Low65 Ų65136.2 Ų136.246%0.45567%0.665SS.*Hα-helixtrans-83.1-5.8-174.776.70000114.4L27 S33L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.07Å; L27-S31 PolarHBondContact O-OG 3.06Å; L27-S31 VanDerWaalsContact O-OG 3.14Å; S31-S33 VanDerWaalsContact C-N 3.25Å; S31-S33 PolarHBondContact O-N 3.44Å
32G66.2Low66.2Low67 Ų67135.9 Ų135.969%0.69167%0.672SS**  trans4435.7161.600000117.5V30V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 3.06Å
33S51.8Low63.9Low87 Ų87134.5 Ų134.561%0.60868%0.676SS**  trans-174.2119.6169.183.60000109.4S31S31-S33 VanDerWaalsContact C-N 3.25Å; S31-S33 PolarHBondContact O-N 3.44Å
34S50.9Low61.7Low107 Ų107135.4 Ų135.475%0.74868%0.681SS**  100.136.482.769.60000116.3
35L50Low59.6Low170 Ų170134.9 Ų134.989%0.8969%0.686SS**  trans-122.15.4171.1-73.9172.1000116.5
36S50.8Low57.5Low110 Ų110138.5 Ų138.577%0.76970%0.702SS**G310 helixtrans-89.3-16.2-174.7-178.20000115.6K38S36-K38 VanDerWaalsContact C-N 3.26Å; S36-K38 PolarHBondContact O-N 3.49Å; S36-K38 VanDerWaalsContact O-N 3.1Å
37R48.1Very low55.4Low255 Ų255141.5 Ų141.596%0.96272%0.718SS**G310 helixtrans-75.60.6-173.6-76.8-171.2-178.2170.91.9116.4
38K44Very low53.3Low207 Ų207144.1 Ų144.190%0.972%0.724SS**G310 helixtrans-110.95.4-175.5-144.9172.7-178.5178.80115.7S36S36-K38 VanDerWaalsContact C-N 3.26Å; S36-K38 PolarHBondContact O-N 3.49Å; S36-K38 VanDerWaalsContact O-N 3.1Å
39R46.7Very low51.4Low236 Ų236146.8 Ų146.889%0.89174%0.737SS**SBendtrans-128.924.1-179.5-141.1-176.6-133.7-161.43114.7
40G39.4Very low49.8Very low40 Ų40147.6 Ų147.641%0.41275%0.747SS.*SBendtrans-105-4.8178.300000115.3
41R43.9Very low48.2Very low225 Ų225152.4 Ų152.485%0.84975%0.751SS**SBendtrans-95.1-9-173.8-94.9-169.7-173.3-150.31.6116.2
42E45.3Very low46.6Very low180 Ų180160.3 Ų160.384%0.84177%0.771SS**SBendtrans-105.7-7.9-177.3-66.8178.2-179.500113.1
43A44.6Very low45.2Very low67 Ų67166 Ų16655%0.55478%0.78SS**SBendtrans-100.6-19.7179.100000113.8
44E45.8Very low44.6Very low149 Ų149167.2 Ų167.270%0.69679%0.786SS**THydrogen-bonded Turntrans-86.6-12.7-177.5-66.5-172.3177.400113.8
45E46.5Very low43.8Very low159 Ų159171.5 Ų171.574%0.74379%0.794SS**THydrogen-bonded Turntrans-84.7-26.9174.2-76.3-172.6164.400112.6
46E45.9Very low43.3Very low164 Ų164169.4 Ų169.477%0.76679%0.788SS**THydrogen-bonded Turntrans-79.3-30.4-178-147.3173.1-165.100112.4
47E45.9Very low42.4Very low160 Ų160172.9 Ų172.975%0.74879%0.794SS**THydrogen-bonded Turntrans-82.9-13.6-178.5-148.6-177.4-175.800113.6
48K41.9Very low41.9Very low174 Ų174166 Ų16676%0.75778%0.78SS**THydrogen-bonded Turntrans-88.7-16.4-179.1-116.8178.9-176.1173.90114.1
49E43.1Very low41.3Very low172 Ų172162.6 Ų162.680%0.80478%0.777SS**THydrogen-bonded Turntrans-88.7-17.8-178.5-163.1149.8-17100112.9R51E49-R51 PolarHBondContact O-N 3.15Å
50E44.7Very low40.8Very low175 Ų175158.9 Ų158.982%0.81877%0.774SS**THydrogen-bonded Turntrans-84.1-5.9-178.1-149.9178.9-18000114.4
51R44.8Very low40.5Very low231 Ų231164 Ų16487%0.87280%0.797SS**THydrogen-bonded Turntrans-106.713-173-95-172.7177.8-171.92.1117.1E49E49-R51 PolarHBondContact O-N 3.15Å
52R39.2Very low40Very low231 Ų231162.8 Ų162.887%0.87280%0.801SS**  trans-111.896.9176.1-68.3-173.4178.3-175.8-0.9111.6
53Q35.6Very low39.4Very low188 Ų188157.6 Ų157.688%0.87980%0.796SS**PPolyproline II helixtrans-85.5160.3160.7-82.2-153.112.400111.1
54P40.5Very low39.1Very low112 Ų112164.4 Ų164.473%0.72782%0.816SS**PPolyproline II helixtrans-97.9132.3-13935.3-31.6000113.1
55E33.6Very low38.7Very low197 Ų197160.7 Ų160.792%0.92182%0.818SS**PPolyproline II helixtrans-93.4127.8159.3-83-177.8164.700109.8
56V38.6Very low38.4Very low126 Ų126156.5 Ų156.576%0.76482%0.817SS**PPolyproline II helixtrans-68.3121.7179.4171.80000109.7V58V56-V58 HydrophobicContact CG1-CG2 4.12Å
57M31.4Very low38.7Very low183 Ų183154.7 Ų154.790%0.90182%0.82SS**  trans-133.8114.2153.2-98.9-175.763.300109.4
58V38.2Very low38.6Very low110 Ų110152 Ų15267%0.66783%0.825SS**  trans-79.4126.3176.7172.90000109V56V56-V58 HydrophobicContact CG1-CG2 4.12Å
59T31.1Very low38.9Very low136 Ų136155.2 Ų155.283%0.83483%0.832SS**  trans-139.5120.9142.143.40000109.7
60L37.9Very low39.1Very low158 Ų158151.6 Ų151.683%0.82783%0.832SS**  trans-69.4129.4172.1-70156.7000109.5
61T32.5Very low39.2Very low148 Ų148147.9 Ų147.991%0.90883%0.831SS**  trans-150.2128.5136.841.60000110.5
62E32.4Very low39.3Very low199 Ų199145.2 Ų145.293%0.9383%0.833SS**  trans-77.9137.5-177-178.1178.6178.400110.8
63G32.8Very low39.6Very low71 Ų71138.5 Ų138.573%0.73283%0.827SS**  trans164.199.4174.100000113.7G65G63-G65 PolarHBondContact O-N 3.11Å
64H38.2Very low40.4Very low209 Ų209138.8 Ų138.897%0.96883%0.825SS**  trans-58.3112.9-176.8-78-81.1000114.4
65G36.8Very low40.3Very low72 Ų72139.3 Ų139.374%0.74283%0.828SS**  trans-118.7122161.700000110.1G63G63-G65 PolarHBondContact O-N 3.11Å
66G42.1Very low40.5Very low71 Ų71134.7 Ų134.773%0.73282%0.818SS**  trans-70.6162.6-173.100000115.4A68G66-A68 PolarHBondContact O-N 2.92Å
67P50.3Low40.4Very low125 Ų125134 Ų13481%0.81281%0.814SS**  trans-83.9106.317929.9-30.3000112.2R69P67-R69 PolarHBondContact O-N 3.42Å
68A45.3Very low40.5Very low104 Ų104136.1 Ų136.186%0.8681%0.812SS**  trans-74.763.116300000111.2G66G66-A68 PolarHBondContact O-N 2.92Å
69R48.4Very low40.3Very low242 Ų242140.3 Ų140.391%0.91382%0.821SS**  trans-149.153.9170.5-70.8-162.4170.2-163-2.2112.5P67P67-R69 PolarHBondContact O-N 3.42Å
70A47Very low40.4Very low95 Ų95140.5 Ų140.579%0.78582%0.823SS**  trans-124.428.7174.400000113.4
71A45.6Very low40Very low97 Ų97141.9 Ų141.980%0.80283%0.825SS**  trans-110.521.2-173.900000115.3
72L47.3Very low40Very low176 Ų176141.2 Ų141.292%0.92182%0.821SS**  trans-122.424.5172.5-68.2176.8000113.7K74L72-K74 PolarHBondContact O-N 2.88Å
73A44.9Very low39.9Very low90 Ų90139.9 Ų139.974%0.74481%0.814SS**  trans-80.7116.3167.200000109.7
74K52.6Low39.8Very low194 Ų194146.4 Ų146.484%0.84382%0.823SS**  trans-63.4133.5176-62.6173180175.80110L72 S76L72-K74 PolarHBondContact O-N 2.88Å; K74-S76 PolarHBondContact O-N 3.04Å; K74-S76 VanDerWaalsContact O-N 3.15Å
75P39.8Very low39.5Very low122 Ų122143.1 Ų143.179%0.79281%0.812SS**  trans-73.1109.4170.127.6-29.4000109.6V77P75-V77 PolarHBondContact O-N 3.21Å
76S37.4Very low39.1Very low100 Ų100144.8 Ų144.870%0.69981%0.812SS**  trans-78.5103.8163.3171.20000108K74 R78K74-S76 PolarHBondContact O-N 3.04Å; K74-S76 VanDerWaalsContact O-N 3.15Å; S76-R78 PolarHBondContact O-N 2.99Å
77V35.5Very low38.4Very low113 Ų113149.7 Ų149.769%0.68582%0.816SS**  trans-68.7117.5171.5178.40000108.5P75 F79P75-V77 PolarHBondContact O-N 3.21Å; V77-F79 HydrophobicContact CG1-CD2 4.44Å; V77-F79 HydrophobicContact CG1-CE2 4.14Å
78R34.6Very low37.2Very low226 Ų226152.7 Ų152.785%0.85381%0.811SS**  trans-112.8127161.5-74.9-161.7177.9-169.81.3108.5S76S76-R78 PolarHBondContact O-N 2.99Å
79F34.1Very low36.3Very low198 Ų198156.3 Ų156.387%0.86881%0.808SS**  trans-73.2130.3168.5-70.5-88.7000109.1V77V77-F79 HydrophobicContact CG1-CD2 4.44Å; V77-F79 HydrophobicContact CG1-CE2 4.14Å
80T31.9Very low35.4Very low141 Ų141149 Ų14987%0.86579%0.793SS**  trans-84.3116.8163.7480000108.1
81E30.9Very low34.4Very low186 Ų186150.2 Ų150.287%0.86980%0.797SS**  trans-124.2120.8157.6-148.6168.5-156.900107.7
82T33.1Very low33.5Very low135 Ų135150.6 Ų150.683%0.82879%0.793SS**  trans-63.3136.3-176.139.30000111.8
83H30.3Very low32.5Very low170 Ų170146.5 Ų146.579%0.78778%0.779SS**  trans-50.9144.4178.7-76.7-114.1000115.3
84K29.8Very low31.6Very low208 Ų208152.5 Ų152.590%0.90479%0.789SS**  -132.5136.1129.6-78.4-170.3177.1177.70110
85D30.8Very low30.3Very low140 Ų140146.9 Ų146.975%0.74979%0.786SS**  trans-55.3158.9-177.9-48.3-66.1000112.7
86S29.7Very low29.8Very low107 Ų107148.9 Ų148.975%0.74879%0.791SS**  cis-174.7153.739.740.50000110.6
87H27.7Very low29.8Very low175 Ų175150.2 Ų150.281%0.8180%0.797SS**  trans7198.6145.5-110.1-90.1000123.1
88W24.4Very low29.4Very low187 Ų187154.2 Ų154.271%0.70881%0.805SS**  24.2117.2125.7172.5-103.2000119.6
89K27Very low29Very low180 Ų180152.4 Ų152.478%0.78381%0.806SS**  -170.8129.4109.6-96.4174.5-169.6-179.60112.2
90S28.4Very low28.6Very low88 Ų88153.9 Ų153.962%0.61581%0.805SS**  trans-61.4147.5165.8-44.70000111.6
91S27.4Very low28.4Very low122 Ų122153.5 Ų153.585%0.85380%0.803SS**  173.3152.3124.7-73.80000112.6
92S25.1Very low28Very low105 Ų105149.1 Ų149.173%0.73480%0.798SS**  trans-68.9171-176.651.10000116
93S26.7Very low27.7Very low89 Ų89147.9 Ų147.962%0.62280%0.802SS**  trans84.9120.614336.10000121.6
94F27.3Very low27.5Very low216 Ų216148.4 Ų148.495%0.94780%0.804SS**  trans50.2129.2137.6-60.4-71000121.6
95G24.2Very low28Very low77 Ų77143.3 Ų143.379%0.79479%0.793SS**  trans139.8112.4145.300000116.7
96N30.1Very low27.7Very low164 Ų164141 Ų14188%0.87779%0.788SS**  trans-55.8156.3153.9-85.7-26.7000110.5
97P36.3Very low27.6Very low128 Ų128142.1 Ų142.183%0.83179%0.79SS**  -158.3176.872.538.7-14.7000119.4
98K28.5Very low27.5Very low197 Ų197141.1 Ų141.186%0.85779%0.79SS**  trans-41.7149174.5-63.3163.3172.1174.40118.5
99H26.3Very low27.6Very low188 Ų188136.6 Ų136.687%0.8779%0.787SS**  -167.3153.2116-127.1-96.1000114.9
100R25Very low27.6Very low228 Ų228135.4 Ų135.486%0.8679%0.789SS**  trans-85.6166.5-174.9-74175.6164.5-165.9-4.6114.5
101V27.6Very low27.6Very low134 Ų134136.4 Ų136.481%0.81280%0.796SS**  156.2106.2128.5170.60000107.3
102A23.5Very low27.8Very low94 Ų94140.7 Ų140.778%0.77780%0.795SS**  81108.774.800000116.2
103A26.2Very low28Very low108 Ų108144.8 Ų144.889%0.89380%0.802SS**  trans-176.4126.4142.800000111.3
104E25.8Very low28.4Very low181 Ų181147.6 Ų147.685%0.84681%0.811SS**  trans-115.4179.1170.1-86-100.2164.700107.4
105P39.5Very low29.1Very low101 Ų101142.3 Ų142.366%0.65680%0.798SS**  cis-131.4173.1-122.92.9000112.9
106S26.3Very low29.4Very low92 Ų92146.7 Ų146.764%0.64380%0.797SS**  177.4126.591.9-590000112.8
107T26.5Very low29.3Very low131 Ų131145.2 Ų145.280%0.80479%0.79SS**  trans59132.8140.959.40000120.1
108L25.9Very low29Very low154 Ų154147.4 Ų147.481%0.80678%0.782SS**  cis-167.814612.4-159.8106.3000110
109S26.8Very low29Very low91 Ų91142.7 Ų142.764%0.63678%0.775SS**  trans59.5140.1156-78.60000121.4
110D27.5Very low29.1Very low155 Ų155139.9 Ų139.983%0.82977%0.771SS**  cis-152.2141.33.9-92.7-22.2000108.1
111S27Very low29.7Very low109 Ų109136.7 Ų136.776%0.76277%0.77SS**  trans-151.9133.7167.8173.70000112.2
112Y32Very low29.9Very low213 Ų213135.9 Ų135.984%0.83577%0.767SS**  trans-19.7131148.9-61.3-95.1000115.5
113Q29.9Very low30.6Very low190 Ų190137.1 Ų137.189%0.88876%0.761SS**  173.5150100.5-88.3-174.57.900111.1
114N33.5Very low31Very low149 Ų149137.8 Ų137.880%0.79776%0.756SS**  trans-38158.2163-139.58.2000112.4
115P42Very low31.3Very low105 Ų105139.9 Ų139.968%0.68276%0.756SS**  -162.9171.65542.4-18.7000119.3
116Q32.1Very low30.9Very low168 Ų168140 Ų14079%0.78576%0.76SS**  trans52.7128.6152.7-59.7-135.5-1200121.5
117D26.7Very low31.2Very low133 Ų133143.2 Ų143.271%0.71177%0.769SS**  trans-153.2144.3130.7-98.5-15.3000111.1
118Y29.5Very low31.2Very low174 Ų174148.4 Ų148.468%0.68277%0.774SS**  trans-75152.9-177.237-90.4000112.1
119S28.9Very low31.9Very low99 Ų99148.3 Ų148.369%0.69277%0.771SS**  156.7131.1117.9-950000115.1
120T28.8Very low32.1Very low128 Ų128149.8 Ų149.879%0.78578%0.779SS**  trans84.698.2140.7-46.10000118.3
121L36.7Very low32.1Very low161 Ų161151.3 Ų151.384%0.84378%0.778SS**  trans-52.8152.2151.1-68.1167.9000110.7
122P33.4Very low32.2Very low117 Ų117151.3 Ų151.376%0.7678%0.778SS**  -140.6144.994.432.1-15.3000114.7
123D38.3Very low32Very low121 Ų121149 Ų14965%0.64778%0.775SS**  trans-63146.8159.7-1446.8000110.2
124P33.8Very low31.7Very low121 Ų121145.2 Ų145.279%0.78676%0.764SS**  trans-149.5104.4136.929.6-8.6000114.3
125W32.7Very low31.5Very low225 Ų225148.7 Ų148.785%0.85277%0.766SS**  trans-79111.3140.1-85.3-87.1000108.7
126S31.3Very low31.4Very low105 Ų105149 Ų14973%0.73477%0.768SS**  trans-178.2125144.4-86.40000113.9
127L31.9Very low31.1Very low159 Ų159147.7 Ų147.783%0.83277%0.767SS**  trans67106.2145.1-56.8168.9000119.5
128R27.1Very low31.4Very low240 Ų240150.1 Ų150.191%0.90677%0.771SS**  -166.4114.4117.8-133.1167.9-80-132-0.8113.1
129M40.4Very low31.5Very low152 Ų152147.6 Ų147.675%0.74977%0.773SS**  trans-72.2144.5153.6-70.6-75-80.800109
130P31.7Very low31.7Very low122 Ų122152.8 Ų152.879%0.79278%0.784SS**  trans-114.1120.9147.519.1-1.4000110.4
131F27.2Very low31.8Very low187 Ų187157.8 Ų157.882%0.8279%0.788SS**  trans-76.7136.8154.2-84.6-89.1000109.4
132S27.5Very low31.3Very low108 Ų108153.2 Ų153.276%0.75578%0.78SS**  trans-170.199.6142.1-164.20000107.1
133Q28.2Very low31.2Very low166 Ų166155.7 Ų155.778%0.77679%0.785SS**  70.1118.590.5-78-165.912.100115.6
134V24.1Very low30.9Very low110 Ų110158.6 Ų158.667%0.66779%0.794SS**  trans77.6124.8130.4171.50000114.8
135R29.5Very low30.8Very low221 Ų221158 Ų15883%0.83479%0.793SS**  cis-173.4-169.922.6-127.6-179.8-147.4-178.45.3110.4
136P40.1Very low30.9Very low112 Ų112158 Ų15873%0.72779%0.793SS**  -117-155.7-122.943.5-25.2000114.1
137N25.5Very low30.9Very low141 Ų141158.8 Ų158.875%0.75479%0.793SS**  trans96.6128.5161.7-117.3-1000113.5
138K32.1Very low31.4Very low183 Ų183159.2 Ų159.280%0.79679%0.788SS**  cis-152.6145.928.1-71.9170.7179171.20110.9
139V32.7Very low31.6Very low121 Ų121156 Ų15673%0.73378%0.781SS**  trans-59.8138.6161.51720000110.1
140K32.2Very low31Very low209 Ų209157 Ų15791%0.90978%0.784SS**  trans-156.2130.5135.6-102.7174.2-165.5-169.50110.7
141R30.9Very low31.1Very low232 Ų232157 Ų15788%0.87579%0.787SS**  trans-67.5139.6178.9-87.9170.2-102.1-158.1-7.5111.4
142G27.7Very low31.3Very low66 Ų66156.9 Ų156.968%0.6879%0.789SS**  80.9144.6113.700000119.4
143I31.1Very low31.8Very low169 Ų169161 Ų16187%0.86780%0.796SS**  trans114.9114149.3-57164.2000114.2
144H31.5Very low32Very low181 Ų181158 Ų15884%0.83879%0.794SS**  trans-47140.9164.1-62.8-105000113.1
145S31.6Very low33Very low108 Ų108161 Ų16176%0.75580%0.801SS**  trans-172.2107.8132.3530000112.8
146R34.8Very low33.3Very low227 Ų227155.2 Ų155.286%0.85779%0.794SS**  trans9.9114.2135.8-164.2-179.3-166.1-171.84.6116.7
147V31.2Very low33.2Very low120 Ų120159 Ų15973%0.72780%0.799SS**  trans-126118.2159.4179.30000108.7F149V147-F149 HydrophobicContact CG1-CD2 3.48Å; V147-F149 VanDerWaalsContact CG1-CD2 3.48Å; V147-F149 HydrophobicContact CG1-CE2 3.62Å
148K41.6Very low33.6Very low168 Ų168157.6 Ų157.673%0.7380%0.797SS**  trans-99.6129.1163.1-91.5-169.9173.7-171.40107.1
149F31.3Very low34Very low174 Ų174154.1 Ų154.176%0.76380%0.803SS**  trans-148.3104.4150.7-70.9-71.9000106.6V147V147-F149 HydrophobicContact CG1-CD2 3.48Å; V147-F149 VanDerWaalsContact CG1-CD2 3.48Å; V147-F149 HydrophobicContact CG1-CE2 3.62Å
150Q29.6Very low34.6Very low172 Ų172152.2 Ų152.280%0.80480%0.795SS**  63.9106.898.3-69.2-164.242.200111.7
151S33.3Very low35.1Very low123 Ų123148.4 Ų148.486%0.8679%0.785SS**PPolyproline II helixtrans-74.6123.8173.363.80000109.1
152E30.6Very low35.9Very low184 Ų184147.7 Ų147.786%0.8678%0.782SS**PPolyproline II helixtrans-99.8131.5160.2-68.8-175.6-177.500108.4
153E38.5Very low37Very low193 Ų193154.1 Ų154.190%0.90279%0.785SS**PPolyproline II helixtrans-66.9121.1-177.3-176.1156.8-176.300110.4
154S32.2Very low37.9Very low105 Ų105154.4 Ų154.473%0.73478%0.783SS**  trans-129.2100.616469.30000109.2S156S154-S156 PolarHBondContact O-N 3.42Å; S154-S156 VanDerWaalsContact O-N 3.13Å
155E44.2Very low39.2Very low173 Ų173151 Ų15181%0.80878%0.775SS**  trans-52.7105.3171.3-160.1177.8-167.400110.5
156S35.8Very low40.4Very low99 Ų99153.5 Ų153.569%0.69278%0.775SS**  trans-141.7103.6158.358.70000108S154 P158S154-S156 PolarHBondContact O-N 3.42Å; S154-S156 VanDerWaalsContact O-N 3.13Å; S156-P158 WeakPolarHBondContact O-CD 3.39Å
157K38.8Very low41.4Very low191 Ų191148.1 Ų148.183%0.8377%0.769SS**  trans-63.5122.9171.7-75.4168.1176.4160.30108.9
158P35.1Very low42.8Very low111 Ų111147.5 Ų147.572%0.72176%0.761SS**  trans-83133.914331.7-27.4000107.9S156 S160S156-P158 WeakPolarHBondContact O-CD 3.39Å; P158-S160 VanDerWaalsContact C-N 3.25Å; P158-S160 PolarHBondContact O-N 3.16Å
159A40.4Very low43.7Very low111 Ų111148.6 Ų148.692%0.91777%0.774SS**  trans-57.789.6169.400000109.7
160S44.9Very low45.2Very low80 Ų80144 Ų14456%0.55978%0.776SS**  trans-111.260170.3-169.50000108.5P158 R162P158-S160 VanDerWaalsContact C-N 3.25Å; P158-S160 PolarHBondContact O-N 3.16Å; S160-R162 PolarHBondContact O-N 2.64Å
161D43.2Very low47.1Very low130 Ų130142.5 Ų142.570%0.69576%0.764SS**  trans-83.143.8157.1-166.923.1000109.7R163D161-R163 VanDerWaalsContact C-N 3.3Å; D161-R163 PolarHBondContact O-N 3.38Å
162R47.1Very low48.9Very low216 Ų216140.7 Ų140.782%0.81575%0.745SS**  trans-85.990.7155.3-79-173.3169.8-171-4.6104.6S160 H164S160-R162 PolarHBondContact O-N 2.64Å; R162-H164 PolarHBondContact O-N 3.37Å
163R49.6Very low50.9Low201 Ų201141.6 Ų141.676%0.75874%0.74SS**  trans-40.3106.6175.2-62.4-179.6-172.2-179.23108.4D161 V165D161-R163 VanDerWaalsContact C-N 3.3Å; D161-R163 PolarHBondContact O-N 3.38Å; R163-V165 PolarHBondContact O-N 3.47Å
164H51.8Low52.1Low175 Ų175136.3 Ų136.381%0.8172%0.717SS**  trans-65.390.3164.9-76.2-81.7000105.6R162 Q166R162-H164 PolarHBondContact O-N 3.37Å; H164-Q166 PolarHBondContact O-N 2.93Å
165V57Low53.9Low111 Ų111132.5 Ų132.567%0.67369%0.692SS**  trans-62113172.3-178.60000105.3R163R163-V165 PolarHBondContact O-N 3.47Å
166Q57.3Low55.1Low160 Ų160125.7 Ų125.775%0.74867%0.669SS**  trans-53.1127.7177.1-172.9169.36.700107.9H164 L168H164-Q166 PolarHBondContact O-N 2.93Å; Q166-L168 WeakPolarHBondContact O-CD1 3.48Å; Q166-L168 PolarHBondContact O-N 2.76Å
167P56.1Low56.5Low113 Ų113123.6 Ų123.673%0.73465%0.651SS**  trans-63.9106.3-178.222.6-30.3000108.6L169P167-L169 PolarHBondContact O-N 2.74Å
168L61Low57.7Low107 Ų107118.2 Ų118.256%0.5663%0.631SS**  trans-64.4132.8169.8-9079.2000107.6Q166 G170 Y171Q166-L168 WeakPolarHBondContact O-CD1 3.48Å; Q166-L168 PolarHBondContact O-N 2.76Å; L168-G170 PolarHBondContact O-N 3.11Å; L168-Y171 HydrophobicContact CB-CD2 3.89Å; L168-Y171 HydrophobicContact CB-CG 4.43Å; L168-Y171 PolarHBondContact O-N 3.18Å
169L59.6Low59.2Low191 Ų191117.5 Ų117.5100%162%0.622SS**THydrogen-bonded Turntrans-60107.1177.3-172.469.9000109.3P167P167-L169 PolarHBondContact O-N 2.74Å
170G63.3Low60.4Low79 Ų79116.9 Ų116.981%0.81461%0.606SS**THydrogen-bonded Turntrans113.4-10.8-17500000114.9L168L168-G170 PolarHBondContact O-N 3.11Å
171Y69Low61.1Low139 Ų139117 Ų11755%0.54560%0.598SS.*  trans-84.1109.8162.5-94.6-101.8000108.1L168 A175L168-Y171 HydrophobicContact CB-CD2 3.89Å; L168-Y171 HydrophobicContact CB-CG 4.43Å; L168-Y171 PolarHBondContact O-N 3.18Å; Y171-A175 HydrophobicContact CD1-CB 4Å; Y171-A175 HydrophobicContact CE1-CB 4.45Å
172D71.9Confident61.6Low86 Ų86116 Ų11646%0.4659%0.593SS.*  trans-70.4151.7172.163.22.3000109.9I174 A175 G176D172-I174 PolarHBondContact O-N 3.24Å; D172-A175 PolarHBondContact O-N 2.83Å; D172-A175 WeakPolarHBondContact OD1-CB 3.41Å; D172-A175 PolarHBondContact OD1-N 3.37Å; D172-G176 PolarHBondContact O-N 2.81Å; D172-G176 VanDerWaalsContact O-N 3.1Å
173W71.6Confident62Low203 Ų203110.7 Ų110.777%0.76959%0.589SS**Hα-helixtrans-54.8-2517766-71.8000112.3G176 V177W173-G176 PolarHBondContact O-N 3.27Å; W173-V177 WeakPolarHBondContact O-CB 3.37Å; W173-V177 VanDerWaalsContact O-CG2 3.24Å; W173-V177 WeakPolarHBondContact O-CG2 3.37Å; W173-V177 PolarHBondContact O-N 3.05Å
174I63.6Low62.3Low82 Ų82105.9 Ų105.942%0.42158%0.577SS.*Hα-helixtrans-68-48.8175.6-56.2175.5000110.1D172 G176 V177 L178D172-I174 PolarHBondContact O-N 3.24Å; I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 2.9Å; I174-V177 PolarHBondContact O-N 3.28Å; I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.43Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 VanDerWaalsContact O-CG 3.24Å; I174-L178 WeakPolarHBondContact O-CG 3.48Å; I174-L178 PolarHBondContact O-N 3.23Å
175A70.6Confident62.7Low24 Ų24102.3 Ų102.320%0.19856%0.564CS.*Hα-helixtrans-59.4-42.9173.200000111.5Y171 D172 V177 L178 D179Y171-A175 HydrophobicContact CD1-CB 4Å; Y171-A175 HydrophobicContact CE1-CB 4.45Å; D172-A175 PolarHBondContact O-N 2.83Å; D172-A175 WeakPolarHBondContact OD1-CB 3.41Å; D172-A175 PolarHBondContact OD1-N 3.37Å; A175-V177 VanDerWaalsContact C-N 3.33Å; A175-V177 PolarHBondContact O-N 3.25Å; A175-L178 PolarHBondContact O-N 2.97Å; A175-D179 WeakPolarHBondContact O-CB 3.45Å; A175-D179 PolarHBondContact O-N 3.14Å
176G69.6Low63Low31 Ų31105.5 Ų105.532%0.3257%0.572SS.*Hα-helixtrans-63.8-34.517800000114.3D172 W173 I174 T180D172-G176 PolarHBondContact O-N 2.81Å; D172-G176 VanDerWaalsContact O-N 3.1Å; W173-G176 PolarHBondContact O-N 3.27Å; I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 2.9Å; G176-T180 VanDerWaalsContact O-CG2 3.31Å; G176-T180 WeakPolarHBondContact O-CG2 3.26Å; G176-T180 PolarHBondContact O-N 3.43Å; G176-T180 PolarHBondContact O-OG1 2.76Å
177V65.9Low63.8Low55 Ų55101.3 Ų101.333%0.33355%0.552SS.*Hα-helixtrans-73.7-43.8174171.40000110.6W173 I174 A175 D179 T180 E181W173-V177 WeakPolarHBondContact O-CB 3.37Å; W173-V177 VanDerWaalsContact O-CG2 3.24Å; W173-V177 WeakPolarHBondContact O-CG2 3.37Å; W173-V177 PolarHBondContact O-N 3.05Å; I174-V177 PolarHBondContact O-N 3.28Å; A175-V177 VanDerWaalsContact C-N 3.33Å; A175-V177 PolarHBondContact O-N 3.25Å; V177-D179 PolarHBondContact O-N 3.06Å; V177-T180 WeakPolarHBondContact CA-OG1 3.38Å; V177-T180 PolarHBondContact O-N 3.16Å; V177-T180 PolarHBondContact O-OG1 3.09Å; V177-T180 VanDerWaalsContact O-OG1 3.06Å; V177-E181 VanDerWaalsContact CG1-CD 3.44Å; V177-E181 HydrophobicContact CG1-CG 4.02Å; V177-E181 WeakPolarHBondContact O-CB 3.2Å; V177-E181 VanDerWaalsContact O-CG 3.26Å; V177-E181 WeakPolarHBondContact O-CG 3.31Å; V177-E181 PolarHBondContact O-N 2.93Å
178L63.4Low65Low78 Ų7899.2 Ų99.241%0.40854%0.54SS..Hα-helixtrans-60.4-44.4177.3-69.2171.6000111.9I174 A175 T180 E181 D182 L185I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.43Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 VanDerWaalsContact O-CG 3.24Å; I174-L178 WeakPolarHBondContact O-CG 3.48Å; I174-L178 PolarHBondContact O-N 3.23Å; A175-L178 PolarHBondContact O-N 2.97Å; L178-T180 PolarHBondContact O-N 2.94Å; L178-E181 CarbonylContact O-C 3.57Å; L178-E181 PolarHBondContact O-N 3.02Å; L178-D182 PolarHBondContact O-N 2.87Å; L178-L185 HydrophobicContact CD2-CD1 3.71Å
179D65.4Low65.8Low96 Ų96100.3 Ų100.351%0.51355%0.546SS..Hα-helixtrans-68.3-21.6179.9-66.3-21.5000113.1A175 V177A175-D179 WeakPolarHBondContact O-CB 3.45Å; A175-D179 PolarHBondContact O-N 3.14Å; V177-D179 PolarHBondContact O-N 3.06Å
180T66.3Low67Low98 Ų9898.1 Ų98.160%0.60153%0.531SS*.Hα-helixtrans-96-19.2176.652.50000113G176 V177 L178G176-T180 VanDerWaalsContact O-CG2 3.31Å; G176-T180 WeakPolarHBondContact O-CG2 3.26Å; G176-T180 PolarHBondContact O-N 3.43Å; G176-T180 PolarHBondContact O-OG1 2.76Å; V177-T180 WeakPolarHBondContact CA-OG1 3.38Å; V177-T180 PolarHBondContact O-N 3.16Å; V177-T180 PolarHBondContact O-OG1 3.09Å; V177-T180 VanDerWaalsContact O-OG1 3.06Å; L178-T180 PolarHBondContact O-N 2.94Å
181E59.4Low68.1Low81 Ų8198.7 Ų98.738%0.37951%0.511SS..  trans-109.717.5-176.5-64.1-169.6178.100113.6V177 L178 S183 L184 L185V177-E181 VanDerWaalsContact CG1-CD 3.44Å; V177-E181 HydrophobicContact CG1-CG 4.02Å; V177-E181 WeakPolarHBondContact O-CB 3.2Å; V177-E181 VanDerWaalsContact O-CG 3.26Å; V177-E181 WeakPolarHBondContact O-CG 3.31Å; V177-E181 PolarHBondContact O-N 2.93Å; L178-E181 CarbonylContact O-C 3.57Å; L178-E181 PolarHBondContact O-N 3.02Å; E181-S183 PolarHBondContact O-N 2.79Å; E181-L184 HydrophobicContact CB-CB 4.26Å; E181-L184 HydrophobicContact CB-CD1 4.06Å; E181-L184 HydrophobicContact CG-CD1 3.85Å; E181-L184 WeakPolarHBondContact O-CA 3.32Å; E181-L184 WeakPolarHBondContact O-CB 3.49Å; E181-L184 PolarHBondContact O-N 3.06Å; E181-L185 PolarHBondContact O-N 3.21Å
182D53.2Low68.9Low110 Ų11096.5 Ų96.559%0.58850%0.504SS*.THydrogen-bonded Turntrans-52.4-27.5175.5-89.7-21.2000112.9L178L178-D182 PolarHBondContact O-N 2.87Å
183S56.8Low69.7Low104 Ų10497.2 Ų97.273%0.72751%0.508SS*.THydrogen-bonded Turntrans-76.2-18.7174.8-41.40000114.8E181E181-S183 PolarHBondContact O-N 2.79Å
184L56.2Low70.6Confident100 Ų10091.6 Ų91.652%0.52449%0.493SS..THydrogen-bonded Turntrans-94.3-13.6179.6-67.7172.3000112.8E181 H187E181-L184 HydrophobicContact CB-CB 4.26Å; E181-L184 HydrophobicContact CB-CD1 4.06Å; E181-L184 HydrophobicContact CG-CD1 3.85Å; E181-L184 WeakPolarHBondContact O-CA 3.32Å; E181-L184 WeakPolarHBondContact O-CB 3.49Å; E181-L184 PolarHBondContact O-N 3.06Å; L184-H187 PolarHBondContact O-CD2 3.44Å
185L59.6Low71.8Confident100 Ų10090.1 Ų90.152%0.52449%0.486SS..SBendtrans-89.6-14.2-177.3-65.8174.9000113.8L178 E181L178-L185 HydrophobicContact CD2-CD1 3.71Å; E181-L185 PolarHBondContact O-N 3.21Å
186E63.2Low72.4Confident179 Ų17992.2 Ų92.284%0.83650%0.499SS*.  trans-117.566.1-179-158.7168.8-150.200111.6
187H74.9Confident73.4Confident71 Ų7198.4 Ų98.433%0.32951%0.512SS..  trans-98.9145.7164.6-65.6-55.1000110.2L184 F191 F192L184-H187 PolarHBondContact O-CD2 3.44Å; H187-F191 HydrophobicContact CB-CB 4.14Å; H187-F191 HydrophobicContact CB-CD1 3.5Å; H187-F191 HydrophobicContact CB-CE1 4.12Å; H187-F191 HydrophobicContact CB-CG 3.97Å; H187-F191 AromaticContact CD2-CE1 3.83Å; H187-F191 AromaticContact CG-CD1 3.77Å; H187-F191 AromaticContact CG-CE1 3.92Å; H187-F192 HydrophobicContact CB-CE2 3.79Å; H187-F192 HydrophobicContact CB-CZ 4.01Å
188S79.6Confident74.6Confident69 Ų69101.8 Ų101.848%0.48352%0.523SS..  trans-65.9155.3177.562.50000111.4E190 F191 F192S188-E190 PolarHBondContact O-N 2.91Å; S188-E190 VanDerWaalsContact O-N 3.14Å; S188-F191 WeakPolarHBondContact O-CB 3.24Å; S188-F191 PolarHBondContact O-N 3.49Å; S188-F191 PolarHBondContact OG-N 2.88Å; S188-F192 WeakPolarHBondContact O-CD2 3.49Å; S188-F192 PolarHBondContact O-N 3.1Å
189D79Confident75.9Confident130 Ų130105 Ų10570%0.69553%0.53SS*.Hα-helixtrans-58.9-26.9174.7-70.2-23.3000112F192 N193D189-F192 PolarHBondContact O-N 3.26Å; D189-N193 WeakPolarHBondContact O-CB 3.47Å; D189-N193 PolarHBondContact O-N 3.36Å; D189-N193 PolarHBondContact O-ND2 3.3Å
190E85.4Confident76.9Confident146 Ų146105.3 Ų105.368%0.68253%0.531SS*.Hα-helixtrans-63.3-42.8173.8-65.3179.3174.200112.1S188 F192 N193 D194S188-E190 PolarHBondContact O-N 2.91Å; S188-E190 VanDerWaalsContact O-N 3.14Å; E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 2.94Å; E190-N193 PolarHBondContact O-N 2.97Å; E190-D194 WeakPolarHBondContact O-CB 3.24Å; E190-D194 PolarHBondContact O-N 3.37Å
191F86.4Confident78Confident91 Ų91106.2 Ų106.240%0.39954%0.535SS..Hα-helixtrans-59.8-43.5175.7172.1-95.8000111.6H187 S188 D194 L195H187-F191 HydrophobicContact CB-CB 4.14Å; H187-F191 HydrophobicContact CB-CD1 3.5Å; H187-F191 HydrophobicContact CB-CE1 4.12Å; H187-F191 HydrophobicContact CB-CG 3.97Å; H187-F191 AromaticContact CD2-CE1 3.83Å; H187-F191 AromaticContact CG-CD1 3.77Å; H187-F191 AromaticContact CG-CE1 3.92Å; S188-F191 WeakPolarHBondContact O-CB 3.24Å; S188-F191 PolarHBondContact O-N 3.49Å; S188-F191 PolarHBondContact OG-N 2.88Å; F191-D194 PolarHBondContact O-N 3.03Å; F191-L195 HydrophobicContact CZ-CD1 4.36Å; F191-L195 WeakPolarHBondContact O-CB 3.38Å; F191-L195 PolarHBondContact O-N 2.91Å
192F85.9Confident79.1Confident92 Ų92104 Ų10440%0.40453%0.526SS..Hα-helixtrans-69.1-34177.8-68.5-69.5000112.5H187 S188 D189 E190 L195 C196H187-F192 HydrophobicContact CB-CE2 3.79Å; H187-F192 HydrophobicContact CB-CZ 4.01Å; S188-F192 WeakPolarHBondContact O-CD2 3.49Å; S188-F192 PolarHBondContact O-N 3.1Å; D189-F192 PolarHBondContact O-N 3.26Å; E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 2.94Å; F192-L195 PolarHBondContact O-N 3.43Å; F192-C196 WeakPolarHBondContact O-CB 3.44Å; F192-C196 PolarHBondContact O-N 3.17Å; F192-C196 PolarHBondContact O-SG 3.17Å
193N86.9Confident80.5Confident101 Ų101104.7 Ų104.754%0.5452%0.524SS..Hα-helixtrans-67.3-41.1173.7-78.2-41.2000111.9D189 E190 C196 R197D189-N193 WeakPolarHBondContact O-CB 3.47Å; D189-N193 PolarHBondContact O-N 3.36Å; D189-N193 PolarHBondContact O-ND2 3.3Å; E190-N193 PolarHBondContact O-N 2.97Å; N193-C196 WeakPolarHBondContact O-CB 3.48Å; N193-C196 PolarHBondContact O-N 3.18Å; N193-R197 WeakPolarHBondContact O-CG 3.12Å; N193-R197 PolarHBondContact O-N 2.81Å
194D90.9Very high81.5Confident85 Ų85105.2 Ų105.246%0.45552%0.519SS..Hα-helixtrans-68.1-37.8175.7-79.1-11.5000111.9E190 F191 C196 R197 F198E190-D194 WeakPolarHBondContact O-CB 3.24Å; E190-D194 PolarHBondContact O-N 3.37Å; F191-D194 PolarHBondContact O-N 3.03Å; D194-C196 VanDerWaalsContact C-N 3.34Å; D194-C196 PolarHBondContact O-N 2.89Å; D194-R197 PolarHBondContact O-N 2.81Å; D194-R197 IonicContact OD1-CZ 3.63Å; D194-R197 IonicContact OD1-NH1 2.78Å; D194-R197 PolarHBondContact OD1-NH1 2.86Å; D194-F198 VanDerWaalsContact O-CB 3.29Å; D194-F198 WeakPolarHBondContact O-CB 3.42Å; D194-F198 PolarHBondContact O-N 3.03Å
195L88.8Confident82.6Confident52 Ų52107.5 Ų107.527%0.27253%0.527SS..Hα-helixtrans-63-40.9171.4-164.1101000111.7F191 F192 F198 R199F191-L195 HydrophobicContact CZ-CD1 4.36Å; F191-L195 WeakPolarHBondContact O-CB 3.38Å; F191-L195 PolarHBondContact O-N 2.91Å; F192-L195 PolarHBondContact O-N 3.43Å; L195-F198 PolarHBondContact O-N 3.05Å; L195-R199 WeakPolarHBondContact O-CB 3.13Å; L195-R199 WeakPolarHBondContact O-CG 3.44Å; L195-R199 PolarHBondContact O-N 2.88Å
196C84.2Confident83.1Confident68 Ų68105.8 Ų105.846%0.45952%0.522SS..Hα-helixtrans-61.7-47.9174.5-73.60000111.1F192 N193 D194 F198 R199 L200F192-C196 WeakPolarHBondContact O-CB 3.44Å; F192-C196 PolarHBondContact O-N 3.17Å; F192-C196 PolarHBondContact O-SG 3.17Å; N193-C196 WeakPolarHBondContact O-CB 3.48Å; N193-C196 PolarHBondContact O-N 3.18Å; D194-C196 VanDerWaalsContact C-N 3.34Å; D194-C196 PolarHBondContact O-N 2.89Å; C196-F198 PolarHBondContact O-N 3.38Å; C196-R199 PolarHBondContact O-N 2.97Å; C196-L200 WeakPolarHBondContact O-CB 3.13Å; C196-L200 WeakPolarHBondContact O-CD1 3.28Å; C196-L200 VanDerWaalsContact O-CG 3.26Å; C196-L200 WeakPolarHBondContact O-CG 3.43Å; C196-L200 PolarHBondContact O-N 2.95Å
197R90Very high83.5Confident161 Ų161102.1 Ų102.161%0.60851%0.512SS*.Hα-helixtrans-59.4-45.1175.2-78.117051.1-159.9-0.2111.7N193 D194 R199 L200 V201N193-R197 WeakPolarHBondContact O-CG 3.12Å; N193-R197 PolarHBondContact O-N 2.81Å; D194-R197 PolarHBondContact O-N 2.81Å; D194-R197 IonicContact OD1-CZ 3.63Å; D194-R197 IonicContact OD1-NH1 2.78Å; D194-R197 PolarHBondContact OD1-NH1 2.86Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-R199 PolarHBondContact O-N 3.29Å; R197-L200 WeakPolarHBondContact O-CB 3.48Å; R197-L200 PolarHBondContact O-N 3.45Å; R197-L200 VanDerWaalsContact O-N 3.15Å; R197-V201 WeakPolarHBondContact O-CG2 3.47Å; R197-V201 PolarHBondContact O-N 3.49Å
198F91.7Very high82.5Confident126 Ų126107.2 Ų107.255%0.55354%0.535SS*.Hα-helixtrans-58.9-45.8177.8177.2-94.3000111.5D194 L195 C196 L200 V201 N202D194-F198 VanDerWaalsContact O-CB 3.29Å; D194-F198 WeakPolarHBondContact O-CB 3.42Å; D194-F198 PolarHBondContact O-N 3.03Å; L195-F198 PolarHBondContact O-N 3.05Å; C196-F198 PolarHBondContact O-N 3.38Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 2.89Å; F198-V201 PolarHBondContact O-N 2.92Å; F198-N202 WeakPolarHBondContact CE2-ND2 3.25Å; F198-N202 WeakPolarHBondContact O-CB 3.43Å; F198-N202 PolarHBondContact O-N 3.08Å; F198-N202 PolarHBondContact O-ND2 2.95Å
199R89.6Confident81.4Confident146 Ų146108.7 Ų108.755%0.55155%0.546SS*.Hα-helixtrans-68.8-29.7176.1-71.8176.4172.7173.5-0.5113.3L195 C196 R197 N202 K203L195-R199 WeakPolarHBondContact O-CB 3.13Å; L195-R199 WeakPolarHBondContact O-CG 3.44Å; L195-R199 PolarHBondContact O-N 2.88Å; C196-R199 PolarHBondContact O-N 2.97Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-R199 PolarHBondContact O-N 3.29Å; R199-N202 CarbonylContact O-C 3.59Å; R199-K203 WeakPolarHBondContact O-CA 3.37Å; R199-K203 WeakPolarHBondContact O-CG 3.35Å; R199-K203 PolarHBondContact O-N 3.06Å
200L86.2Confident79.8Confident102 Ų102103.8 Ų103.853%0.53453%0.526SS..Hα-helixtrans-71.5-34.4175-80.4158.6000112.5C196 R197 F198 K203C196-L200 WeakPolarHBondContact O-CB 3.13Å; C196-L200 WeakPolarHBondContact O-CD1 3.28Å; C196-L200 VanDerWaalsContact O-CG 3.26Å; C196-L200 WeakPolarHBondContact O-CG 3.43Å; C196-L200 PolarHBondContact O-N 2.95Å; R197-L200 WeakPolarHBondContact O-CB 3.48Å; R197-L200 PolarHBondContact O-N 3.45Å; R197-L200 VanDerWaalsContact O-N 3.15Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 2.89Å; L200-K203 WeakPolarHBondContact O-CD 3.27Å; L200-K203 VanDerWaalsContact O-CE 3.24Å; L200-K203 WeakPolarHBondContact O-CE 3.01Å; L200-K203 VanDerWaalsContact O-CG 3.3Å; L200-K203 WeakPolarHBondContact O-CG 3.26Å
201V90.1Very high77.8Confident116 Ų116101.5 Ų101.570%0.70352%0.524SS*.Hα-helixtrans-79.6-35.9177.8173.70000111R197 F198R197-V201 WeakPolarHBondContact O-CG2 3.47Å; R197-V201 PolarHBondContact O-N 3.49Å; F198-V201 PolarHBondContact O-N 2.92Å
202N82.9Confident76Confident35 Ų35102.6 Ų102.619%0.18755%0.549CS..SBendtrans-108.142.3-177.7-57.5-79.9000111.9F198 R199 D204 Q205 C206F198-N202 WeakPolarHBondContact CE2-ND2 3.25Å; F198-N202 WeakPolarHBondContact O-CB 3.43Å; F198-N202 PolarHBondContact O-N 3.08Å; F198-N202 PolarHBondContact O-ND2 2.95Å; R199-N202 CarbonylContact O-C 3.59Å; N202-D204 VanDerWaalsContact C-N 3.28Å; N202-D204 PolarHBondContact O-N 3.14Å; N202-Q205 PolarHBondContact O-N 3.38Å; N202-C206 VanDerWaalsContact O-CB 3.27Å; N202-C206 WeakPolarHBondContact O-CB 3.46Å; N202-C206 PolarHBondContact O-N 2.77Å; N202-C206 PolarHBondContact O-SG 2.85Å
203K82.4Confident73.7Confident124 Ų124106.1 Ų106.154%0.53957%0.565SS.*Hα-helixtrans-59.9-39.8-175.2-76.2172.5-178.81800112.6R199 L200 Q205 C206 V207R199-K203 WeakPolarHBondContact O-CA 3.37Å; R199-K203 WeakPolarHBondContact O-CG 3.35Å; R199-K203 PolarHBondContact O-N 3.06Å; L200-K203 WeakPolarHBondContact O-CD 3.27Å; L200-K203 VanDerWaalsContact O-CE 3.24Å; L200-K203 WeakPolarHBondContact O-CE 3.01Å; L200-K203 VanDerWaalsContact O-CG 3.3Å; L200-K203 WeakPolarHBondContact O-CG 3.26Å; K203-Q205 VanDerWaalsContact C-N 3.33Å; K203-C206 PolarHBondContact O-N 2.75Å; K203-V207 WeakPolarHBondContact O-CG2 3.22Å; K203-V207 PolarHBondContact O-N 2.95Å
204D77.9Confident71.4Confident116 Ų116106 Ų10662%0.6257%0.571SS**Hα-helixtrans-64.8-33178.859.1-41.5000113N202N202-D204 VanDerWaalsContact C-N 3.28Å; N202-D204 PolarHBondContact O-N 3.14Å
205Q78.3Confident69.2Low148 Ų148110.6 Ų110.669%0.69260%0.595SS**Hα-helixtrans-91.7-25177-60.9178.729.900113N202 K203 V207N202-Q205 PolarHBondContact O-N 3.38Å; K203-Q205 VanDerWaalsContact C-N 3.33Å; Q205-V207 VanDerWaalsContact C-N 3.32Å
206C71.8Confident67.1Low63 Ų63115.6 Ų115.643%0.42662%0.617SS.*Hα-helixtrans-78.1-17.9177.2-69.70000113N202 K203N202-C206 VanDerWaalsContact O-CB 3.27Å; N202-C206 WeakPolarHBondContact O-CB 3.46Å; N202-C206 PolarHBondContact O-N 2.77Å; N202-C206 PolarHBondContact O-SG 2.85Å; K203-C206 PolarHBondContact O-N 2.75Å
207V70.3Confident65Low102 Ų102119.3 Ų119.362%0.61863%0.632SS**SBendtrans-93.8108.3167.3-178.80000106.7K203 Q205 S209K203-V207 WeakPolarHBondContact O-CG2 3.22Å; K203-V207 PolarHBondContact O-N 2.95Å; Q205-V207 VanDerWaalsContact C-N 3.32Å; V207-S209 PolarHBondContact O-N 3.2Å
208H54Low62.5Low178 Ų178116.8 Ų116.882%0.82464%0.64SS**  trans-67.485.4168.5-172.276.8000108.5G210H208-G210 PolarHBondContact CD2-N 2.89Å; H208-G210 WeakPolarHBondContact NE2-CA 3.33Å; H208-G210 PolarHBondContact O-N 3.26Å
209S55.9Low60.1Low101 Ų101118.3 Ų118.371%0.70665%0.648SS**  trans-7562159.160.60000107.8V207V207-S209 PolarHBondContact O-N 3.2Å
210G45.8Very low57.8Low26 Ų26119.8 Ų119.827%0.26866%0.659SS.*  trans-56.2135.1164.300000107.2H208 A212H208-G210 PolarHBondContact CD2-N 2.89Å; H208-G210 WeakPolarHBondContact NE2-CA 3.33Å; H208-G210 PolarHBondContact O-N 3.26Å; G210-A212 PolarHBondContact O-N 3.31Å; G210-A212 VanDerWaalsContact O-N 3.16Å
211P44.5Very low55.5Low99 Ų99124.3 Ų124.364%0.64367%0.674SS**  trans-55.5130.3167.725.5-30.7000106.2K213P211-K213 HydrophobicContact CB-CD 4.44Å; P211-K213 HydrophobicContact CB-CG 4.33Å; P211-K213 PolarHBondContact O-N 3.19Å
212A47.6Very low52.6Low113 Ų113129.9 Ų129.993%0.93468%0.683SS**SBendtrans-60.974.6169.100000109.3G210G210-A212 PolarHBondContact O-N 3.31Å; G210-A212 VanDerWaalsContact O-N 3.16Å
213K38.1Very low50.4Low167 Ų167133.5 Ų133.573%0.72671%0.708SS**  trans-126.4105174.1-76.9-176.2178176.50105.6P211P211-K213 HydrophobicContact CB-CD 4.44Å; P211-K213 HydrophobicContact CB-CG 4.33Å; P211-K213 PolarHBondContact O-N 3.19Å
214S37.7Very low48.3Very low97 Ų97135.5 Ų135.568%0.67872%0.724SS**  trans47100.3160.452.80000116.1E216S214-E216 PolarHBondContact O-N 3.42Å
215L46Very low46.5Very low183 Ų183137.7 Ų137.796%0.95874%0.735SS**SBendtrans-53.776.7149.4-169.3162000109.2
216E43.4Very low44.3Very low157 Ų157137.2 Ų137.273%0.73474%0.742SS**  trans-151.140.7177.8-150.1-174.2-155.400111.5S214S214-E216 PolarHBondContact O-N 3.42Å
217D41Very low42.4Very low145 Ų145140.9 Ų140.978%0.77576%0.758SS**  trans-166.644.3163.8-108.9-19.6000114.1H219D217-H219 IonicContact OD1-CD2 3.81Å; D217-H219 IonicContact OD1-NE2 2.65Å
218S37.1Very low40.7Very low109 Ų109142.3 Ų142.376%0.76276%0.762SS**  trans-118.166.1169.6-153.70000110.2F220S218-F220 PolarHBondContact O-N 3.48Å
219H40.8Very low39.8Very low158 Ų158138.4 Ų138.473%0.73176%0.755SS**THydrogen-bonded Turntrans-72.946.9178.1-75.7-70.3000114.2D217D217-H219 IonicContact OD1-CD2 3.81Å; D217-H219 IonicContact OD1-NE2 2.65Å
220F41.5Very low39.1Very low176 Ų176142.4 Ų142.477%0.77276%0.759SS**THydrogen-bonded Turntrans-1201.9176.8-76.7-68.2000116.7S218S218-F220 PolarHBondContact O-N 3.48Å
221F39.3Very low39Very low197 Ų197149.4 Ų149.486%0.86479%0.785SS**  trans-144.689.6170.9-62.4-78.6000111.2
222R28.7Very low38.8Very low233 Ų233149.1 Ų149.188%0.87979%0.791SS**  trans-123.1102.4165.6-171.4176.2-178.21770.4109.2L224R222-L224 PolarHBondContact O-N 3.45Å
223P37.2Very low39Very low111 Ų111150.3 Ų150.372%0.72178%0.782SS**  trans-65.3123.6160.6-17.631.9000108.6L225P223-L225 PolarHBondContact O-N 2.81Å
224L36.7Very low39.7Very low167 Ų167150.7 Ų150.787%0.87479%0.79SS**  trans-63.4109.5168.3-85.6143.7000108.6R222R222-L224 PolarHBondContact O-N 3.45Å
225L39.9Very low40.6Very low162 Ų162148.3 Ų148.385%0.84877%0.769SS**  trans-119.3118158.9-68.2179.4000108.4P223P223-L225 PolarHBondContact O-N 2.81Å
226T33.1Very low41.6Very low137 Ų137144.3 Ų144.384%0.8476%0.763SS**  trans-58.2135.4163.634.70000111.2
227D32.8Very low43Very low141 Ų141139 Ų13975%0.75474%0.738SS**  trans4.2139.8144.8-107.80.6000116.8
228D33Very low44.6Very low132 Ų132137.9 Ų137.971%0.70673%0.728SS**  cis-171.1162.119.7-146.6-20.5000108.2
229S36Very low46.5Very low96 Ų96133.6 Ų133.667%0.67170%0.698SS**  trans88.5115.5163.783.40000121.2
230K41.5Very low48.2Very low184 Ų184128.5 Ų128.580%0.868%0.678SS**SBendtrans85.3121.8153.2-59.6177.7-175.5178.10118.2A232K230-A232 PolarHBondContact O-N 3.08Å
231E42.8Very low50Low173 Ų173120.3 Ų120.381%0.80864%0.642SS**  trans12.781.4175-80.777.4-17100115.8N233E231-N233 PolarHBondContact O-N 3.37Å
232A41.2Very low51.8Low93 Ų93113.5 Ų113.577%0.76962%0.619SS**  trans-65.4104.7173.500000109.9K230 I234K230-A232 PolarHBondContact O-N 3.08Å; A232-I234 PolarHBondContact O-N 2.99Å
233N50.6Low54.3Low139 Ų139103.6 Ų103.674%0.74358%0.582SS**  trans-36.6112.6163.3-83.9-79.1000109.8E231 D235E231-N233 PolarHBondContact O-N 3.37Å; N233-D235 PolarHBondContact O-N 2.73Å
234I53.7Low56.4Low174 Ų174106.7 Ų106.789%0.89258%0.579SS**THydrogen-bonded Turntrans-66.712.7179.1-37.6177.2000111.2A232A232-I234 PolarHBondContact O-N 2.99Å
235D55.8Low58.5Low47 Ų47100.9 Ų100.925%0.25155%0.548SS..THydrogen-bonded Turntrans-157.740.8-165.8-148.725.6000114.4N233 H237 C263 R265N233-D235 PolarHBondContact O-N 2.73Å; D235-H237 VanDerWaalsContact CG-CE1 3.47Å; D235-H237 PolarHBondContact O-N 3.2Å; D235-H237 IonicContact OD1-CE1 3.58Å; D235-H237 PolarHBondContact OD1-CE1 3.23Å; D235-H237 IonicContact OD1-CG 2.65Å; D235-H237 IonicContact OD1-ND1 3.99Å; D235-H237 PolarHBondContact OD1-ND1 2.87Å; D235-H237 IonicContact OD2-CE1 3.94Å; D235-H237 PolarHBondContact OD2-CE1 2.99Å; D235-H237 IonicContact OD2-ND1 3.54Å; D235-C263 WeakPolarHBondContact OD2-CB 3.29Å; D235-R265 IonicContact OD2-CZ 2.65Å; D235-R265 IonicContact OD2-NH1 2.9Å; D235-R265 PolarHBondContact OD2-NH1 2.96Å; D235-R265 IonicContact OD2-NH2 3.9Å; D235-R265 PolarHBondContact OD2-NH2 3.31Å
236A67.1Low60.4Low99 Ų9995.8 Ų95.882%0.81852%0.522SS*.  trans-79.247.1169.700000111.6
237H73.1Confident62.5Low47 Ų4795.4 Ų95.422%0.21852%0.524CS..  trans-91.8142.716774.1-71.3000108.9D235 C239 C260 V262 C263D235-H237 VanDerWaalsContact CG-CE1 3.47Å; D235-H237 PolarHBondContact O-N 3.2Å; D235-H237 IonicContact OD1-CE1 3.58Å; D235-H237 PolarHBondContact OD1-CE1 3.23Å; D235-H237 IonicContact OD1-CG 2.65Å; D235-H237 IonicContact OD1-ND1 3.99Å; D235-H237 PolarHBondContact OD1-ND1 2.87Å; D235-H237 IonicContact OD2-CE1 3.94Å; D235-H237 PolarHBondContact OD2-CE1 2.99Å; D235-H237 IonicContact OD2-ND1 3.54Å; H237-C239 PolarHBondContact NE2-SG 3.31Å; H237-C239 VanDerWaalsContact NE2-SG 3.45Å; H237-C239 PolarHBondContact O-N 3.43Å; H237-C239 VanDerWaalsContact O-N 3.14Å; H237-C260 PolarHBondContact NE2-SG 2.98Å; H237-C260 VanDerWaalsContact NE2-SG 3.43Å; H237-V262 HydrophobicContact CB-CG1 4.43Å; H237-C263 WeakPolarHBondContact CE1-CB 3.35Å; H237-C263 PolarHBondContact CE1-SG 3.3Å; H237-C263 PolarHBondContact NE2-SG 3.38Å
238Q74.6Confident64.8Low120 Ų12098.1 Ų98.156%0.56152%0.524SS*.  trans-72109.8173.5-169.716822.200109.1T240 L279Q238-T240 PolarHBondContact O-N 3.05Å; Q238-T240 PolarHBondContact O-OG1 3.45Å; Q238-L279 HydrophobicContact CG-CD1 4.17Å; Q238-L279 HydrophobicContact CG-CG 4.48Å; Q238-L279 VanDerWaalsContact NE2-CD1 3.27Å; Q238-L279 VanDerWaalsContact OE1-CD1 3.23Å
239C77.3Confident67.1Low20 Ų2098.2 Ų98.214%0.13552%0.524CS..  trans-58.4113.7178.8-76.40000110.3H237 F241 C260H237-C239 PolarHBondContact NE2-SG 3.31Å; H237-C239 VanDerWaalsContact NE2-SG 3.45Å; H237-C239 PolarHBondContact O-N 3.43Å; H237-C239 VanDerWaalsContact O-N 3.14Å; C239-F241 HydrophobicContact CB-CE2 3.85Å; C239-F241 HydrophobicContact CB-CZ 4.03Å; C239-C260 HydrophobicContact CB-CB 4.28Å
240T75.8Confident69.2Low50 Ų5099.7 Ų99.731%0.30752%0.519SS..EExtended strand (participates in β ladder)trans-103.1133.9176.2-54.90000109.9Q238 P261 R281Q238-T240 PolarHBondContact O-N 3.05Å; Q238-T240 PolarHBondContact O-OG1 3.45Å; T240-P261 WeakPolarHBondContact O-CD 3.31Å; T240-R281 HydrophobicContact CG2-CB 4.44Å
241F79.6Confident71.1Confident5 Ų594.9 Ų94.92%0.02251%0.506CS..EExtended strand (participates in β ladder)trans-115.9133.2178-58.9-86.4000110.3C239 Y243 E258 C260 K267 H272 A278 L279C239-F241 HydrophobicContact CB-CE2 3.85Å; C239-F241 HydrophobicContact CB-CZ 4.03Å; F241-Y243 HydrophobicContact CB-CD2 4.41Å; F241-Y243 HydrophobicContact CB-CE2 3.71Å; F241-E258 WeakPolarHBondContact CE1-O 3.4Å; F241-C260 HydrophobicContact CE1-CB 4.46Å; F241-K267 HydrophobicContact CD1-CB 4.03Å; F241-K267 HydrophobicContact CE1-CB 3.71Å; F241-K267 HydrophobicContact CZ-CB 4.06Å; F241-H272 AromaticContact CE2-CE1 3.48Å; F241-H272 VanDerWaalsContact CE2-CE1 3.48Å; F241-H272 WeakPolarHBondContact CE2-CE1 3.44Å; F241-H272 AromaticContact CE2-NE2 3.51Å; F241-A278 HydrophobicContact CD2-CB 4.25Å; F241-L279 PolarHBondContact N-O 3.03Å
242S78.1Confident73Confident53 Ų5389.9 Ų89.937%0.37149%0.487SS..EExtended strand (participates in β ladder)trans-99.1124.5-175-540000111.5F254S242-F254 PolarHBondContact O-N 3.11Å; S242-F254 VanDerWaalsContact O-N 3.14Å
243Y80.7Confident74.9Confident26 Ų2687.7 Ų87.710%0.10247%0.465CS..EExtended strand (participates in β ladder)trans-121.6142177.9-67.2-94.1000110.2F241 P251 V252 P253 K267 I280F241-Y243 HydrophobicContact CB-CD2 4.41Å; F241-Y243 HydrophobicContact CB-CE2 3.71Å; Y243-P251 HydrophobicContact CD1-CB 4.05Å; Y243-P251 HydrophobicContact CG-CB 4.24Å; Y243-V252 CarbonylContact C-O 3.1Å; Y243-V252 WeakPolarHBondContact CA-O 3.3Å; Y243-P253 HydrophobicContact CD1-CG 4.32Å; Y243-P253 HydrophobicContact CE1-CG 4Å; Y243-K267 WeakPolarHBondContact OH-CD 3.49Å; Y243-K267 VanDerWaalsContact OH-CE 3.27Å; Y243-K267 WeakPolarHBondContact OH-CE 3.17Å; Y243-I280 HydrophobicContact CD2-CB 4.27Å; Y243-I280 HydrophobicContact CD2-CD1 4.09Å; Y243-I280 HydrophobicContact CD2-CG1 3.92Å; Y243-I280 HydrophobicContact CD2-CG2 3.5Å; Y243-I280 VanDerWaalsContact CD2-CG2 3.5Å; Y243-I280 HydrophobicContact CE2-CD1 3.91Å; Y243-I280 HydrophobicContact CE2-CG1 3.84Å; Y243-I280 HydrophobicContact CE2-CG2 4.31Å; Y243-I280 HydrophobicContact CG-CG2 4.19Å
244R80.7Confident76Confident175 Ų17587.4 Ų87.466%0.6646%0.458SS*.EExtended strand (participates in β ladder)trans-95.8133.3166.8-179.5177.2177.5179.81.2108.9V252 F254R244-V252 PolarHBondContact N-O 2.76Å; R244-V252 PolarHBondContact O-N 2.65Å; R244-F254 HydrophobicContact CB-CD2 4.4Å
245I80.8Confident76.8Confident46 Ų4684.7 Ų84.724%0.23644%0.441CS..EExtended strand (participates in β ladder)trans-82.3128.2171.4-69.3-173.2000109.5L249 V282 L284I245-L249 HydrophobicContact CG2-CB 4.37Å; I245-L249 HydrophobicContact CG2-CD2 3.89Å; I245-V282 HydrophobicContact CD1-CB 4.48Å; I245-V282 HydrophobicContact CD1-CG1 3.37Å; I245-V282 HydrophobicContact CD1-CG2 4.38Å; I245-V282 HydrophobicContact CG1-CG1 3.65Å; I245-L284 HydrophobicContact CB-CD2 4.11Å; I245-L284 HydrophobicContact CD1-CD2 4.02Å; I245-L284 HydrophobicContact CG2-CD2 4.35Å
246N79.9Confident77.3Confident55 Ų5588.6 Ų88.629%0.29447%0.472SS..PPolyproline II helixtrans-79.7174175.673.812.5000112.1R248 L249 F250 V252N246-R248 PolarHBondContact O-N 3.45Å; N246-R248 VanDerWaalsContact O-N 3.08Å; N246-R248 VanDerWaalsContact OD1-C 3.26Å; N246-R248 WeakPolarHBondContact OD1-CA 3.48Å; N246-R248 PolarHBondContact OD1-N 3.34Å; N246-L249 PolarHBondContact O-N 3.14Å; N246-L249 PolarHBondContact OD1-N 3.03Å; N246-L249 VanDerWaalsContact OD1-N 3.08Å; N246-F250 PolarHBondContact N-O 2.65Å; N246-F250 PolarHBondContact OD1-N 2.99Å; N246-F250 PolarHBondContact OD1-O 3.15Å; N246-V252 HydrophobicContact CB-CG2 4.08Å
247S76.6Confident77.4Confident128 Ų12890.5 Ų90.590%0.89546%0.464SS*.THydrogen-bonded Turntrans-62-16.2179.654.20000114.4
248R82.8Confident77.4Confident199 Ų19991.3 Ų91.375%0.75147%0.468SS*.THydrogen-bonded Turntrans-99.213.1175-64.5-176.9178.7-173.1-0.5112.7N246 F250N246-R248 PolarHBondContact O-N 3.45Å; N246-R248 VanDerWaalsContact O-N 3.08Å; N246-R248 VanDerWaalsContact OD1-C 3.26Å; N246-R248 WeakPolarHBondContact OD1-CA 3.48Å; N246-R248 PolarHBondContact OD1-N 3.34Å; R248-F250 VanDerWaalsContact C-N 3.29Å; R248-F250 HydrophobicContact CB-CD2 3.61Å; R248-F250 HydrophobicContact CB-CE2 3.72Å; R248-F250 WeakPolarHBondContact O-CD2 3.26Å; R248-F250 PolarHBondContact O-N 2.79Å
249L79.8Confident77.6Confident134 Ų13487.5 Ų87.570%0.70245%0.453SS*.SBendtrans65.221180-55.7176.1000115.9I245 N246I245-L249 HydrophobicContact CG2-CB 4.37Å; I245-L249 HydrophobicContact CG2-CD2 3.89Å; N246-L249 PolarHBondContact O-N 3.14Å; N246-L249 PolarHBondContact OD1-N 3.03Å; N246-L249 VanDerWaalsContact OD1-N 3.08Å
250F80.5Confident77.7Confident127 Ų12786.7 Ų86.756%0.55745%0.448SS*.  trans-91.2138.4172.9-61.4-77.7000111.7N246 R248 V252N246-F250 PolarHBondContact N-O 2.65Å; N246-F250 PolarHBondContact OD1-N 2.99Å; N246-F250 PolarHBondContact OD1-O 3.15Å; R248-F250 VanDerWaalsContact C-N 3.29Å; R248-F250 HydrophobicContact CB-CD2 3.61Å; R248-F250 HydrophobicContact CB-CE2 3.72Å; R248-F250 WeakPolarHBondContact O-CD2 3.26Å; R248-F250 PolarHBondContact O-N 2.79Å; F250-V252 PolarHBondContact O-N 3.41Å
251P80.9Confident77.8Confident83 Ų8389.1 Ų89.154%0.53947%0.465SS..EExtended strand (participates in β ladder)trans-70.6125.7173.129-32.5000110.3Y243Y243-P251 HydrophobicContact CD1-CB 4.05Å; Y243-P251 HydrophobicContact CG-CB 4.24Å
252V83.1Confident77.6Confident68 Ų6893.6 Ų93.641%0.41249%0.492SS..EExtended strand (participates in β ladder)trans-120131175.4-179.20000107.8Y243 R244 N246 F250 F254Y243-V252 CarbonylContact C-O 3.1Å; Y243-V252 WeakPolarHBondContact CA-O 3.3Å; R244-V252 PolarHBondContact N-O 2.76Å; R244-V252 PolarHBondContact O-N 2.65Å; N246-V252 HydrophobicContact CB-CG2 4.08Å; F250-V252 PolarHBondContact O-N 3.41Å; V252-F254 PolarHBondContact O-N 3.2Å
253P81.4Confident77.7Confident46 Ų4692.4 Ų92.430%0.29948%0.484SS..EExtended strand (participates in β ladder)trans-52.6134.4177.5-27.134.3000112.2Y243 E258Y243-P253 HydrophobicContact CD1-CG 4.32Å; Y243-P253 HydrophobicContact CE1-CG 4Å; P253-E258 HydrophobicContact CB-CG 3.93Å; P253-E258 HydrophobicContact CG-CG 3.83Å; P253-E258 WeakPolarHBondContact CG-OE1 3.21Å
254F73.8Confident77.5Confident134 Ų13499.4 Ų99.459%0.58852%0.515SS*.SBendtrans-73-35.1178.6-171.7-84.3000112S242 R244 V252S242-F254 PolarHBondContact O-N 3.11Å; S242-F254 VanDerWaalsContact O-N 3.14Å; R244-F254 HydrophobicContact CB-CD2 4.4Å; V252-F254 PolarHBondContact O-N 3.2Å
255H69.9Low77.3Confident117 Ų11796.6 Ų96.654%0.54250%0.504SS..SBendtrans-112.3146.1176.3-58.595000109.7Q257H255-Q257 PolarHBondContact O-N 2.78Å
256S68.1Low77.1Confident128 Ų12897.9 Ų97.990%0.89551%0.509SS*.SBendtrans-62.5-21.4179.151.30000113.8
257Q68.4Low76.7Confident140 Ų14098.5 Ų98.565%0.65451%0.509SS*.SBendtrans-105.6109.9170-71.3172-3.700106.9H255 C259H255-Q257 PolarHBondContact O-N 2.78Å; Q257-C259 PolarHBondContact O-N 2.92Å
258E73.9Confident76.5Confident64 Ų6497.3 Ų97.330%0.29950%0.5SS..  trans-69.164.7178.3-59.4-176.3178.500110.8F241 P253 H266 K267F241-E258 WeakPolarHBondContact CE1-O 3.4Å; P253-E258 HydrophobicContact CB-CG 3.93Å; P253-E258 HydrophobicContact CG-CG 3.83Å; P253-E258 WeakPolarHBondContact CG-OE1 3.21Å; E258-H266 CarbonylContact O-C 3.59Å; E258-H266 WeakPolarHBondContact O-CA 3.4Å; E258-H266 PolarHBondContact O-CD2 2.9Å; E258-K267 HydrophobicContact CB-CB 4.17Å; E258-K267 PolarHBondContact O-N 3.27Å
259C78Confident76Confident39 Ų3991.7 Ų91.726%0.26449%0.492SS..BIsolated β-bridgetrans-112.7146.7-172.5-65.70000111.4Q257 R265Q257-C259 PolarHBondContact O-N 2.92Å; C259-R265 VanDerWaalsContact CA-O 3.28Å; C259-R265 WeakPolarHBondContact CA-O 3.46Å
260C79.3Confident75.3Confident3 Ų388.6 Ų88.62%0.0247%0.474CS..  trans-66135.7170-178.30000110H237 C239 F241 V262 K264 R265H237-C260 PolarHBondContact NE2-SG 2.98Å; H237-C260 VanDerWaalsContact NE2-SG 3.43Å; C239-C260 HydrophobicContact CB-CB 4.28Å; F241-C260 HydrophobicContact CE1-CB 4.46Å; C260-V262 PolarHBondContact O-N 3.5Å; C260-K264 WeakPolarHBondContact O-CA 3.43Å; C260-K264 PolarHBondContact O-N 3.22Å; C260-R265 PolarHBondContact N-O 3.1Å
261P76.8Confident74.4Confident102 Ų10287.2 Ų87.266%0.66248%0.477SS*.THydrogen-bonded Turntrans-66.6-21.2178.626.3-35000113.6T240T240-P261 WeakPolarHBondContact O-CD 3.31Å
262V77.2Confident73.7Confident99 Ų9986 Ų8660%0.646%0.464SS*.THydrogen-bonded Turntrans-86.7-59.3-176.1-178.20000110.8H237 C260H237-V262 HydrophobicContact CB-CG1 4.43Å; C260-V262 PolarHBondContact O-N 3.5Å
263C78.6Confident72.9Confident28 Ų2886.8 Ų86.819%0.18947%0.47CS..THydrogen-bonded Turntrans-98.1-3.6-178.161.60000115.6D235 H237 R265D235-C263 WeakPolarHBondContact OD2-CB 3.29Å; H237-C263 WeakPolarHBondContact CE1-CB 3.35Å; H237-C263 PolarHBondContact CE1-SG 3.3Å; H237-C263 PolarHBondContact NE2-SG 3.38Å; C263-R265 HydrophobicContact CB-CG 4.15Å; C263-R265 PolarHBondContact O-N 2.93Å
264K78Confident72.1Confident173 Ų17389.7 Ų89.775%0.75250%0.497SS*.  trans57.412-176-55.7177.3-179.11760114.4C260C260-K264 WeakPolarHBondContact O-CA 3.43Å; C260-K264 PolarHBondContact O-N 3.22Å
265R75.4Confident71.6Confident115 Ų11587.6 Ų87.643%0.43450%0.504SS..  trans-70.7137.7174.5-66.1-168.3-169.9101.112.8110D235 C259 C260 C263D235-R265 IonicContact OD2-CZ 2.65Å; D235-R265 IonicContact OD2-NH1 2.9Å; D235-R265 PolarHBondContact OD2-NH1 2.96Å; D235-R265 IonicContact OD2-NH2 3.9Å; D235-R265 PolarHBondContact OD2-NH2 3.31Å; C259-R265 VanDerWaalsContact CA-O 3.28Å; C259-R265 WeakPolarHBondContact CA-O 3.46Å; C260-R265 PolarHBondContact N-O 3.1Å; C263-R265 HydrophobicContact CB-CG 4.15Å; C263-R265 PolarHBondContact O-N 2.93Å
266H76.4Confident71.4Confident73 Ų7387.5 Ų87.534%0.33850%0.504SS..BIsolated β-bridgetrans-74.7148.2177.2-169.7-105.6000111E258 S268 S269E258-H266 CarbonylContact O-C 3.59Å; E258-H266 WeakPolarHBondContact O-CA 3.4Å; E258-H266 PolarHBondContact O-CD2 2.9Å; H266-S268 VanDerWaalsContact ND1-CB 3.35Å; H266-S268 WeakPolarHBondContact ND1-CB 3.26Å; H266-S268 PolarHBondContact ND1-N 3.34Å; H266-S268 VanDerWaalsContact ND1-N 3.11Å; H266-S268 PolarHBondContact ND1-OG 2.85Å; H266-S268 PolarHBondContact O-N 2.97Å; H266-S269 VanDerWaalsContact O-CB 3.26Å; H266-S269 WeakPolarHBondContact O-CB 3.42Å; H266-S269 PolarHBondContact O-N 2.83Å
267K72.1Confident71.3Confident69 Ų6985.1 Ų85.130%0.349%0.486SS..G310 helixtrans-54.2-36176.4-179.3164.9176.7-740113.5F241 Y243 E258 S269 H270F241-K267 HydrophobicContact CD1-CB 4.03Å; F241-K267 HydrophobicContact CE1-CB 3.71Å; F241-K267 HydrophobicContact CZ-CB 4.06Å; Y243-K267 WeakPolarHBondContact OH-CD 3.49Å; Y243-K267 VanDerWaalsContact OH-CE 3.27Å; Y243-K267 WeakPolarHBondContact OH-CE 3.17Å; E258-K267 HydrophobicContact CB-CB 4.17Å; E258-K267 PolarHBondContact O-N 3.27Å; K267-S269 PolarHBondContact O-N 3.25Å; K267-H270 PolarHBondContact O-N 3.04Å; K267-H270 VanDerWaalsContact O-O 3.09Å
268S72.4Confident71.3Confident102 Ų10279.7 Ų79.771%0.71347%0.465SS*.G310 helixtrans-69.4-17.2177.571.80000114H266H266-S268 VanDerWaalsContact ND1-CB 3.35Å; H266-S268 WeakPolarHBondContact ND1-CB 3.26Å; H266-S268 PolarHBondContact ND1-N 3.34Å; H266-S268 VanDerWaalsContact ND1-N 3.11Å; H266-S268 PolarHBondContact ND1-OG 2.85Å; H266-S268 PolarHBondContact O-N 2.97Å
269S71.6Confident71Confident81 Ų8180.4 Ų80.457%0.56647%0.47SS*.G310 helixtrans-81.6-19.4179.9-172.30000112.4H266 K267H266-S269 VanDerWaalsContact O-CB 3.26Å; H266-S269 WeakPolarHBondContact O-CB 3.42Å; H266-S269 PolarHBondContact O-N 2.83Å; K267-S269 PolarHBondContact O-N 3.25Å
270H65.8Low70.7Confident70 Ų7082.7 Ų82.732%0.32448%0.479SS..SBendtrans-112.8113.3177.3-155.668.8000109.8K267 H272 E276K267-H270 PolarHBondContact O-N 3.04Å; K267-H270 VanDerWaalsContact O-O 3.09Å; H270-H272 AromaticContact CD2-CE1 3.98Å; H270-H272 AromaticContact CD2-ND1 3.82Å; H270-H272 PolarHBondContact O-N 2.68Å; H270-E276 IonicContact CE1-OE2 3.34Å; H270-E276 IonicContact NE2-OE2 3.41Å; H270-E276 PolarHBondContact NE2-OE2 3.43Å
271P61.9Low70.4Confident97 Ų9791.9 Ų91.963%0.6351%0.513SS*.  trans-7196.7173.328.6-30.8000108.7T273P271-T273 VanDerWaalsContact C-N 3.33Å; P271-T273 PolarHBondContact O-N 3.31Å; P271-T273 PolarHBondContact O-OG1 3.38Å; P271-T273 VanDerWaalsContact O-OG1 3.1Å
272H66.3Low70.2Confident58 Ų5889.9 Ų89.927%0.26950%0.499SS..  trans-61.396.7172.1-59.1-55.2000109.3F241 H270 A278F241-H272 AromaticContact CE2-CE1 3.48Å; F241-H272 VanDerWaalsContact CE2-CE1 3.48Å; F241-H272 WeakPolarHBondContact CE2-CE1 3.44Å; F241-H272 AromaticContact CE2-NE2 3.51Å; H270-H272 AromaticContact CD2-CE1 3.98Å; H270-H272 AromaticContact CD2-ND1 3.82Å; H270-H272 PolarHBondContact O-N 2.68Å; H272-A278 HydrophobicContact CB-CB 4.21Å; H272-A278 VanDerWaalsContact CE1-CB 3.46Å; H272-A278 WeakPolarHBondContact CE1-CB 3.31Å; H272-A278 VanDerWaalsContact CG-CB 3.42Å; H272-A278 VanDerWaalsContact ND1-CB 3.33Å; H272-A278 WeakPolarHBondContact ND1-CB 3.41Å
273T66.5Low69.9Low85 Ų8589.8 Ų89.852%0.52150%0.503SS..  trans-91.9160179.1-55.70000108.3P271 A275 E276P271-T273 VanDerWaalsContact C-N 3.33Å; P271-T273 PolarHBondContact O-N 3.31Å; P271-T273 PolarHBondContact O-OG1 3.38Å; P271-T273 VanDerWaalsContact O-OG1 3.1Å; T273-A275 PolarHBondContact O-N 2.95Å; T273-E276 CarbonylContact O-C 3.6Å; T273-E276 PolarHBondContact O-N 2.98Å
274A62.8Low69.5Low106 Ų10692.6 Ų92.688%0.87652%0.515SS*.THydrogen-bonded Turntrans-55.4-25.4177.800000113.7
275A63.5Low69.3Low90 Ų9087.9 Ų87.974%0.74450%0.502SS*.THydrogen-bonded Turntrans-76.3-24.6174.100000113.8T273T273-A275 PolarHBondContact O-N 2.95Å
276E66.4Low68.9Low116 Ų11692.9 Ų92.954%0.54252%0.521SS..SBendtrans-134.475.5-179.6-69-173-179.400110.4H270 T273H270-E276 IonicContact CE1-OE2 3.34Å; H270-E276 IonicContact NE2-OE2 3.41Å; H270-E276 PolarHBondContact NE2-OE2 3.43Å; T273-E276 CarbonylContact O-C 3.6Å; T273-E276 PolarHBondContact O-N 2.98Å
277P66.8Low68.5Low77 Ų7793.6 Ų93.650%0.554%0.54SS..PPolyproline II helixtrans-67.2139.3-179.227.7-33.9000110.9L279P277-L279 PolarHBondContact O-N 3.04Å
278A66.7Low68.3Low26 Ų2696.1 Ų96.122%0.21556%0.557CS.*PPolyproline II helixtrans-66.1119.2166.800000109F241 H272F241-A278 HydrophobicContact CD2-CB 4.25Å; H272-A278 HydrophobicContact CB-CB 4.21Å; H272-A278 VanDerWaalsContact CE1-CB 3.46Å; H272-A278 WeakPolarHBondContact CE1-CB 3.31Å; H272-A278 VanDerWaalsContact CG-CB 3.42Å; H272-A278 VanDerWaalsContact ND1-CB 3.33Å; H272-A278 WeakPolarHBondContact ND1-CB 3.41Å
279L69.7Low68.4Low79 Ų7996.1 Ų96.141%0.41455%0.547SS..EExtended strand (participates in β ladder)trans-78.5128.9170.9-63.9-176.9000109.6Q238 F241 P277Q238-L279 HydrophobicContact CG-CD1 4.17Å; Q238-L279 HydrophobicContact CG-CG 4.48Å; Q238-L279 VanDerWaalsContact NE2-CD1 3.27Å; Q238-L279 VanDerWaalsContact OE1-CD1 3.23Å; F241-L279 PolarHBondContact N-O 3.03Å; P277-L279 PolarHBondContact O-N 3.04Å
280I70.7Confident68.2Low87 Ų8799 Ų9945%0.44656%0.556SS.*EExtended strand (participates in β ladder)trans-111.9119.1178.7-63.9172.1000108.4Y243 V282Y243-I280 HydrophobicContact CD2-CB 4.27Å; Y243-I280 HydrophobicContact CD2-CD1 4.09Å; Y243-I280 HydrophobicContact CD2-CG1 3.92Å; Y243-I280 HydrophobicContact CD2-CG2 3.5Å; Y243-I280 VanDerWaalsContact CD2-CG2 3.5Å; Y243-I280 HydrophobicContact CE2-CD1 3.91Å; Y243-I280 HydrophobicContact CE2-CG1 3.84Å; Y243-I280 HydrophobicContact CE2-CG2 4.31Å; Y243-I280 HydrophobicContact CG-CG2 4.19Å; I280-V282 HydrophobicContact CG2-CG2 3.83Å
281R72.9Confident68.3Low196 Ų196100.9 Ų100.974%0.7457%0.574SS**EExtended strand (participates in β ladder)trans-88.6124.5170.4-173.3176.1177.5-178.70.2109.3T240T240-R281 HydrophobicContact CG2-CB 4.44Å
282V72.4Confident68.6Low61 Ų61100.5 Ų100.537%0.3758%0.579SS.*  trans-117.8128175.8-175.50000109.3I245 I280 L284I245-V282 HydrophobicContact CD1-CB 4.48Å; I245-V282 HydrophobicContact CD1-CG1 3.37Å; I245-V282 HydrophobicContact CD1-CG2 4.38Å; I245-V282 HydrophobicContact CG1-CG1 3.65Å; I280-V282 HydrophobicContact CG2-CG2 3.83Å; V282-L284 HydrophobicContact CG1-CD2 4.35Å; V282-L284 HydrophobicContact CG1-CG 3.99Å
283S70.4Confident68.6Low96 Ų96107 Ų10767%0.67160%0.603SS**  trans-104.1118167.657.10000109.8
284L71.8Confident68.7Low87 Ų87111.5 Ų111.546%0.45562%0.615SS.*  trans-108.5119.1176.2-72.5170.2000109.4I245 V282 R286 I289I245-L284 HydrophobicContact CB-CD2 4.11Å; I245-L284 HydrophobicContact CD1-CD2 4.02Å; I245-L284 HydrophobicContact CG2-CD2 4.35Å; V282-L284 HydrophobicContact CG1-CD2 4.35Å; V282-L284 HydrophobicContact CG1-CG 3.99Å; L284-R286 PolarHBondContact O-N 2.98Å; L284-I289 HydrophobicContact CB-CD1 4.12Å; L284-I289 HydrophobicContact CB-CG1 4.37Å
285P72.3Confident68.9Low74 Ų74114.7 Ų114.748%0.48161%0.606SS.*  trans-59.2135173.3-20.531.3000110.3A287 N288 I289P285-A287 PolarHBondContact O-N 2.94Å; P285-A287 VanDerWaalsContact O-N 3.16Å; P285-N288 WeakPolarHBondContact O-CB 3.47Å; P285-N288 PolarHBondContact O-N 3.43Å; P285-I289 PolarHBondContact O-N 3.07Å
286R66.9Low69.3Low220 Ų220119.2 Ų119.283%0.8361%0.609SS**G310 helixtrans-55.3-33.3176.4-82.2-178163.7177.2-3.7112.3L284 N288 I289L284-R286 PolarHBondContact O-N 2.98Å; R286-N288 PolarHBondContact O-N 3.12Å; R286-I289 CarbonylContact O-C 3.58Å; R286-I289 PolarHBondContact O-N 3.5Å; R286-I289 VanDerWaalsContact O-N 3.09Å
287A69.2Low69.7Low88 Ų88115.9 Ų115.973%0.72760%0.601SS**G310 helixtrans-59.9-27.917500000114.1P285P285-A287 PolarHBondContact O-N 2.94Å; P285-A287 VanDerWaalsContact O-N 3.16Å
288N67.4Low69.8Low122 Ų122120.7 Ų120.765%0.65262%0.616SS**G310 helixtrans-87.7-18.6178.1-67.8-2000112.5P285 R286 L290P285-N288 WeakPolarHBondContact O-CB 3.47Å; P285-N288 PolarHBondContact O-N 3.43Å; R286-N288 PolarHBondContact O-N 3.12Å; N288-L290 VanDerWaalsContact C-N 3.28Å; N288-L290 PolarHBondContact O-N 3.37Å; N288-L290 VanDerWaalsContact O-N 3.17Å
289I73.8Confident69.7Low102 Ų102127 Ų12752%0.52364%0.635SS.*SBendtrans-8682.5169.8-51.9172.1000104.8L284 P285 R286L284-I289 HydrophobicContact CB-CD1 4.12Å; L284-I289 HydrophobicContact CB-CG1 4.37Å; P285-I289 PolarHBondContact O-N 3.07Å; R286-I289 CarbonylContact O-C 3.58Å; R286-I289 PolarHBondContact O-N 3.5Å; R286-I289 VanDerWaalsContact O-N 3.09Å
290L67.9Low69.9Low141 Ų141133.3 Ų133.374%0.73865%0.653SS**  trans-44136.4171.9-72.4171.1000108.2N288 A292N288-L290 VanDerWaalsContact C-N 3.28Å; N288-L290 PolarHBondContact O-N 3.37Å; N288-L290 VanDerWaalsContact O-N 3.17Å; L290-A292 PolarHBondContact O-N 2.98Å
291P68.4Low69.5Low110 Ų110135.7 Ų135.771%0.71468%0.678SS**SBendtrans-49.8132.7174.720.2-30.7000107.7Y293P291-Y293 PolarHBondContact O-N 3.5Å
292A68.3Low69.2Low89 Ų89131.4 Ų131.474%0.73668%0.678SS**  trans-40.1117.1-173.300000108.8L290 K294L290-A292 PolarHBondContact O-N 2.98Å; A292-K294 PolarHBondContact O-N 2.9Å
293Y65.5Low68.6Low196 Ų196132.7 Ų132.777%0.76968%0.678SS**  trans-46108.4-174.4169-104.9000108.2P291 Y295P291-Y293 PolarHBondContact O-N 3.5Å; Y293-Y295 VanDerWaalsContact C-N 3.28Å; Y293-Y295 HydrophobicContact CE1-CD2 4.14Å; Y293-Y295 PolarHBondContact O-N 2.91Å
294K69.3Low68.2Low179 Ų179132.3 Ų132.378%0.77867%0.669SS**  trans-72.994.4-179.1-68.6-173.1-178.3-178.70105.7A292 K296A292-K294 PolarHBondContact O-N 2.9Å; K294-K296 VanDerWaalsContact C-N 3.32Å; K294-K296 PolarHBondContact O-N 3.36Å
295Y67.4Low67.6Low172 Ų172132.7 Ų132.768%0.67568%0.677SS**  trans-56.6100.1173.7179.3-101.8000108Y293 A297Y293-Y295 VanDerWaalsContact C-N 3.28Å; Y293-Y295 HydrophobicContact CE1-CD2 4.14Å; Y293-Y295 PolarHBondContact O-N 2.91Å; Y295-A297 HydrophobicContact CD1-CB 4.32Å; Y295-A297 VanDerWaalsContact CE1-CA 3.47Å; Y295-A297 HydrophobicContact CE1-CB 3.81Å; Y295-A297 PolarHBondContact O-N 3.36Å
296K70.6Confident67Low185 Ų185134.4 Ų134.480%0.80469%0.69SS**  trans-77.9102165.6-71-171.4178.6-176.80105.1K294 H298K294-K296 VanDerWaalsContact C-N 3.32Å; K294-K296 PolarHBondContact O-N 3.36Å; K296-H298 PolarHBondContact O-N 3Å
297A74.8Confident66.7Low47 Ų47129.8 Ų129.839%0.38868%0.682SS.*  trans-47.7121.9169.500000107.9Y295 R299Y295-A297 HydrophobicContact CD1-CB 4.32Å; Y295-A297 VanDerWaalsContact CE1-CA 3.47Å; Y295-A297 HydrophobicContact CE1-CB 3.81Å; Y295-A297 PolarHBondContact O-N 3.36Å; A297-R299 PolarHBondContact O-N 3.23Å
298H70.2Confident66.3Low177 Ų177128.3 Ų128.382%0.81967%0.667SS**  trans-62.2106.3177.4179.369.9000107.9K296K296-H298 PolarHBondContact O-N 3Å
299R64.2Low66Low158 Ų158131.1 Ų131.160%0.59668%0.681SS**  trans-104.3141.5177-65.2-174.2-173.1-158.42.3108.5A297A297-R299 PolarHBondContact O-N 3.23Å
300R74Confident65.5Low212 Ų212128.4 Ų128.480%0.868%0.678SS**  trans-54.3142.5175.9-63.4174.7179.1-119.7-0109S302 F303R300-S302 PolarHBondContact O-N 2.97Å; R300-F303 PolarHBondContact O-N 3.35Å
301S60.8Low65.2Low138 Ų138127.1 Ų127.197%0.96567%0.671SS**THydrogen-bonded Turntrans-62.8-5.6-175.181.40000114.8
302S67.4Low65Low106 Ų106125.9 Ų125.974%0.74166%0.663SS**THydrogen-bonded Turntrans-89.5-4.2176.563.10000113.9R300R300-S302 PolarHBondContact O-N 2.97Å
303F60.9Low64.6Low87 Ų87126.2 Ų126.238%0.38266%0.66SS.*  trans-94.3103.9177.6-174.7-94.4000109.9R300 P305R300-F303 PolarHBondContact O-N 3.35Å; F303-P305 HydrophobicContact CE1-CB 4.37Å; F303-P305 WeakPolarHBondContact O-CD 3.4Å
304D61.4Low64.4Low89 Ų89123.1 Ų123.148%0.47665%0.652SS.*  trans-82.7116.1168.7-175.6-1.2000109.2S306 D307D304-S306 PolarHBondContact O-N 3.47Å; D304-S306 VanDerWaalsContact O-N 3.14Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.29Å; D304-D307 HydrophobicContact CB-CB 4.1Å; D304-D307 PolarHBondContact O-N 3.41Å
305P59.3Low64Low95 Ų95117.5 Ų117.562%0.61764%0.635SS**THydrogen-bonded Turntrans-63.9-13.1176.726.8-34000113.7F303 D307 S308F303-P305 HydrophobicContact CE1-CB 4.37Å; F303-P305 WeakPolarHBondContact O-CD 3.4Å; P305-D307 VanDerWaalsContact C-N 3.35Å; P305-S308 PolarHBondContact O-OG 3.47Å
306S59.9Low63.6Low109 Ų109115.5 Ų115.576%0.76264%0.635SS**THydrogen-bonded Turntrans-79.7-15.5170.9-64.90000113.6D304D304-S306 PolarHBondContact O-N 3.47Å; D304-S306 VanDerWaalsContact O-N 3.14Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.29Å
307D60.9Low63Low124 Ų124108.8 Ų108.866%0.66361%0.611SS**SBendtrans-103.83.2-177.7-166.831.2000112.9D304 P305 L309D304-D307 HydrophobicContact CB-CB 4.1Å; D304-D307 PolarHBondContact O-N 3.41Å; P305-D307 VanDerWaalsContact C-N 3.35Å; D307-L309 PolarHBondContact O-N 3.47Å
308S59.5Low62.2Low57 Ų57109.6 Ų109.640%0.39962%0.624SS.*  trans-66.5108.216217.90000108.5P305 G310P305-S308 PolarHBondContact O-OG 3.47Å; S308-G310 PolarHBondContact O-N 2.97Å
309L60.7Low61.5Low181 Ų181113.6 Ų113.695%0.94863%0.632SS**  trans-60.930.8151.4-58.5176.4000111.5D307D307-L309 PolarHBondContact O-N 3.47Å
310G64.3Low60.9Low45 Ų45109.3 Ų109.346%0.46463%0.626SS.*  trans-64.2148.8162.500000107.7S308S308-G310 PolarHBondContact O-N 2.97Å
311L60.7Low59.5Low113 Ų113106 Ų10659%0.59262%0.624SS**SBendtrans-33.6131.9-173.3-60.2163000111.6S313 C315L311-S313 PolarHBondContact O-N 2.98Å; L311-C315 HydrophobicContact CB-CB 3.45Å; L311-C315 VanDerWaalsContact CB-CB 3.45Å; L311-C315 HydrophobicContact CD1-CB 4.21Å; L311-C315 HydrophobicContact CG-CB 4.32Å
312P64.8Low59Low84 Ų84106 Ų10655%0.54562%0.621SS.*  trans-51.2144-173.9-15.222000109.4H314 C315P312-H314 WeakPolarHBondContact CB-ND1 3.46Å; P312-H314 CarbonylContact O-C 3.55Å; P312-H314 PolarHBondContact O-N 2.94Å; P312-H314 PolarHBondContact O-ND1 3.49Å; P312-H314 VanDerWaalsContact O-ND1 3.11Å; P312-C315 WeakPolarHBondContact O-CB 3.23Å; P312-C315 PolarHBondContact O-N 3.42Å
313S59.4Low58.2Low96 Ų96103 Ų10367%0.67161%0.608SS**Hα-helixtrans-40.2-35.5-169.3540000115L311 C315 L316 S317L311-S313 PolarHBondContact O-N 2.98Å; S313-C315 VanDerWaalsContact C-N 3.26Å; S313-C315 PolarHBondContact O-N 3.4Å; S313-L316 CarbonylContact O-C 3.59Å; S313-L316 PolarHBondContact O-N 3.47Å; S313-S317 PolarHBondContact O-N 3.25Å; S313-S317 PolarHBondContact O-OG 3.49Å
314H62.4Low57.9Low131 Ų131107.8 Ų107.861%0.60663%0.631SS**Hα-helixtrans-55.8-28.1173.585-56.8000116.1P312P312-H314 WeakPolarHBondContact CB-ND1 3.46Å; P312-H314 CarbonylContact O-C 3.55Å; P312-H314 PolarHBondContact O-N 2.94Å; P312-H314 PolarHBondContact O-ND1 3.49Å; P312-H314 VanDerWaalsContact O-ND1 3.11Å
315C61.1Low57.2Low61 Ų61110.6 Ų110.641%0.41265%0.646SS.*Hα-helixtrans-84-27.6175.3-66.40000112.6L311 P312 S313L311-C315 HydrophobicContact CB-CB 3.45Å; L311-C315 VanDerWaalsContact CB-CB 3.45Å; L311-C315 HydrophobicContact CD1-CB 4.21Å; L311-C315 HydrophobicContact CG-CB 4.32Å; P312-C315 WeakPolarHBondContact O-CB 3.23Å; P312-C315 PolarHBondContact O-N 3.42Å; S313-C315 VanDerWaalsContact C-N 3.26Å; S313-C315 PolarHBondContact O-N 3.4Å
316L59Low56.7Low131 Ų131114.1 Ų114.169%0.68666%0.658SS**Hα-helixtrans-82.6-21.7174.2-65.7176.1000111.5S313 G318S313-L316 CarbonylContact O-C 3.59Å; S313-L316 PolarHBondContact O-N 3.47Å; L316-G318 PolarHBondContact O-N 3.49Å
317S57.4Low56.7Low44 Ų44115.6 Ų115.631%0.30866%0.656SS.*  trans-71.643.8167.9-580000112.4S313 W319 S320S313-S317 PolarHBondContact O-N 3.25Å; S313-S317 PolarHBondContact O-OG 3.49Å; S317-W319 PolarHBondContact O-N 2.88Å; S317-S320 PolarHBondContact O-N 3.1Å
318G57.6Low56.7Low63 Ų63114.7 Ų114.765%0.64966%0.658SS**THydrogen-bonded Turntrans-50.5112.816300000108.3L316 S320L316-G318 PolarHBondContact O-N 3.49Å; G318-S320 PolarHBondContact O-N 2.76Å
319W54.8Low56.9Low262 Ų262117.8 Ų117.899%0.99268%0.676SS**THydrogen-bonded Turntrans69.421.3173.8-129.8-53.5000118.8S317S317-W319 PolarHBondContact O-N 2.88Å
320S52Low56.6Low68 Ų68114 Ų11448%0.47667%0.671SS.*  trans-119.457.2171.450.50000112.8S317 G318S317-S320 PolarHBondContact O-N 3.1Å; G318-S320 PolarHBondContact O-N 2.76Å
321N45.8Very low56.2Low141 Ų141123.2 Ų123.275%0.75469%0.692SS**  trans-122.183.8155.8-81.8-40.2000108.8G323N321-G323 PolarHBondContact O-N 3.28Å
322P50.2Low56.3Low138 Ų138123.1 Ų123.190%0.89670%0.7SS**  trans-79.454.4162.635.6-32.5000109.1
323G49.6Very low56.2Low45 Ų45126.7 Ų126.746%0.46471%0.714SS.*SBendtrans-152.686.5-17000000111.2N321N321-G323 PolarHBondContact O-N 3.28Å
324Q55.6Low56.3Low186 Ų186126.5 Ų126.587%0.86971%0.705SS**  trans39.591.1149.6-57.5-173.6-10.900117.3
325N47.1Very low56Low149 Ų149126.3 Ų126.380%0.79771%0.708SS**  trans-13977.1144.1-88.1-57.1000107.9L327N325-L327 PolarHBondContact O-N 3.14Å
326I48.5Very low55.9Low168 Ų168133.1 Ų133.186%0.86273%0.725SS**  trans-67.889.4152.3-59.1171.4000104
327L58.5Low56Low140 Ų140130.7 Ų130.773%0.73372%0.72SS**PPolyproline II helixtrans-52.9132.5161-75.8159.1000106.2N325N325-L327 PolarHBondContact O-N 3.14Å
328P61.7Low56Low106 Ų106132.8 Ų132.869%0.68873%0.734SS**PPolyproline II helixtrans-53.3140.2165.523.2-30.2000107.4A330P328-A330 PolarHBondContact O-N 2.86Å
329P62.9Low55.9Low121 Ų121136.4 Ų136.479%0.78674%0.737SS**PPolyproline II helixtrans-51.1132.4-175.517.9-29.5000109.4R331P329-R331 PolarHBondContact O-N 3.46Å
330A56.1Low55.9Low101 Ų101132.2 Ų132.284%0.83573%0.729SS**  trans-50.6112.5-178.200000108.9P328 S332P328-A330 PolarHBondContact O-N 2.86Å; A330-S332 PolarHBondContact O-N 3.06Å; A330-S332 VanDerWaalsContact O-N 3.07Å
331R55.3Low56.1Low240 Ų240134.3 Ų134.391%0.90674%0.739SS**  trans-64.3113.8176.8-146.7178.6174.1166.8-2105.8P329 L333P329-R331 PolarHBondContact O-N 3.46Å; R331-L333 PolarHBondContact O-N 2.94Å
332S63.1Low56.5Low110 Ų110136.6 Ų136.677%0.76974%0.742SS**  trans-52.1116.6-178.853.70000109.6A330 D334A330-S332 PolarHBondContact O-N 3.06Å; A330-S332 VanDerWaalsContact O-N 3.07Å; S332-D334 PolarHBondContact O-N 3.25Å
333L61.7Low56.3Low159 Ų159137.8 Ų137.883%0.83274%0.741SS**  trans-67.4100.6170.9-98.2158.2000108R331 L335R331-L333 PolarHBondContact O-N 2.94Å; L333-L335 PolarHBondContact O-N 3.32Å
334D61.5Low55.8Low92 Ų92140.5 Ų140.549%0.49276%0.758SS.*  trans-79.1101.3169.8-171.66.3000109.1S332 R336 S337S332-D334 PolarHBondContact O-N 3.25Å; D334-R336 PolarHBondContact O-N 3.05Å; D334-R336 WeakPolarHBondContact OD1-CB 3.49Å; D334-R336 PolarHBondContact OD1-N 2.95Å; D334-S337 PolarHBondContact O-N 2.96Å; D334-S337 PolarHBondContact O-OG 2.88Å
335L56.7Low55Low128 Ų128139.6 Ų139.667%0.6776%0.76SS**THydrogen-bonded Turntrans-69.4-9.8178.8-63.7172.9000112.4L333L333-L335 PolarHBondContact O-N 3.32Å
336R59.7Low54.1Low203 Ų203135.9 Ų135.977%0.76676%0.757SS**THydrogen-bonded Turntrans-80.2-25.4179.5-62.5-178.2171.8177.8-1.4112.9D334 S338 I339D334-R336 PolarHBondContact O-N 3.05Å; D334-R336 WeakPolarHBondContact OD1-CB 3.49Å; D334-R336 PolarHBondContact OD1-N 2.95Å; R336-S338 VanDerWaalsContact C-N 3.3Å; R336-S338 PolarHBondContact O-N 3.34Å; R336-I339 PolarHBondContact O-N 2.96Å
337S59.6Low54Low81 Ų81133.6 Ų133.657%0.56675%0.753SS**THydrogen-bonded Turntrans-74.3-17.9177.157.80000113.9D334D334-S337 PolarHBondContact O-N 2.96Å; D334-S337 PolarHBondContact O-OG 2.88Å
338S57.2Low52.6Low88 Ų88134.9 Ų134.962%0.61576%0.759SS**THydrogen-bonded Turntrans-90.4-3.5177.7-62.90000114.1R336R336-S338 VanDerWaalsContact C-N 3.3Å; R336-S338 PolarHBondContact O-N 3.34Å
339I56.7Low51.1Low138 Ų138134 Ų13471%0.70876%0.755SS**SBendtrans-93.6-14.6177.8-62.4172.4000111.4R336 T341R336-I339 PolarHBondContact O-N 2.96Å; I339-T341 VanDerWaalsContact C-N 3.26Å; I339-T341 PolarHBondContact O-N 2.88Å; I339-T341 VanDerWaalsContact O-N 3.15Å
340Q54.4Low49.6Very low175 Ų175137 Ų13782%0.81876%0.759SS**  trans-88.851.3174.8-66.1-171.712.200112.6
341T55.4Low48.4Very low112 Ų112140.3 Ų140.369%0.68776%0.757SS**SBendtrans-13671.516557.40000109.4I339I339-T341 VanDerWaalsContact C-N 3.26Å; I339-T341 PolarHBondContact O-N 2.88Å; I339-T341 VanDerWaalsContact O-N 3.15Å
342K55Low47.9Very low189 Ų189133.6 Ų133.682%0.82275%0.745SS**SBendtrans166.3110.6150.4-94.7160.4-177.9-177.30106.2
343N46.3Very low46.3Very low163 Ų163134.9 Ų134.987%0.87274%0.739SS**  trans136.280.8159.6-63.2-17000109.8
344A38.6Very low44.8Very low101 Ų101134.8 Ų134.884%0.83573%0.732SS**  trans-150.299.215200000106.7G346A344-G346 PolarHBondContact O-N 3.35Å
345D38.2Very low43.4Very low168 Ų168137.4 Ų137.490%0.89875%0.745SS**  trans-72.3111174.9-73.4-52.2000110.8
346G29.6Very low42.1Very low71 Ų71136.1 Ų136.173%0.73275%0.746SS**  trans61.4174.5144.300000122.1A344A344-G346 PolarHBondContact O-N 3.35Å
347P45.2Very low40.7Very low119 Ų119131.7 Ų131.777%0.77375%0.746SS**  cis-134-174.5-28.638.3-20.6000113.9
348L30.7Very low39.4Very low167 Ų167133 Ų13387%0.87476%0.755SS**  trans88.9130.7170.2-62.5152.1000114.9
349S29.2Very low38.2Very low87 Ų87140 Ų14061%0.60877%0.768SS**  cis-168.9156.716.6-179.70000109.8
350Q31.8Very low36.9Very low184 Ų184144.3 Ų144.386%0.8678%0.776SS**  trans84.593.1157.3-74156.838.900121.1
351Q30.7Very low35.9Very low172 Ų172142.6 Ų142.680%0.80477%0.772SS**  trans-37.1178.5140.1-76.3-96.8-0.400116.1
352P44.4Very low35Very low99 Ų99146.1 Ų146.164%0.64378%0.781SS**  cis-129.8177.4-8.624.80.9000111.2
353E29.5Very low33.8Very low136 Ų136144.9 Ų144.964%0.63678%0.784SS**  -177.8140.864.3-85.1-162.513900111.3
354K29.8Very low33.3Very low158 Ų158144.7 Ų144.769%0.68778%0.782SS**  trans62.8133.1135-67.1172.2-178.1155.10119.4
355L32.2Very low33.6Very low147 Ų147148.9 Ų148.977%0.7778%0.784SS**  cis-168.1143.713.8-100.6156.9000109.2
356S30.3Very low33.5Very low100 Ų100149.3 Ų149.370%0.69978%0.781SS**  trans41.3139.3144.360.80000121.4
357S31.1Very low33.7Very low110 Ų110152.3 Ų152.377%0.76979%0.785SS**  cis-172.2143.325.624.60000113.3
358S30.9Very low33.4Very low108 Ų108152.5 Ų152.576%0.75579%0.786SS**  trans65.797.3134.6-158.40000123.8
359R32.1Very low33.6Very low235 Ų235151.5 Ų151.589%0.88778%0.782SS**  27.8126.2122.5-60.5-178.8-171.5-1641.9119.5
360R30.1Very low34.1Very low229 Ų229154 Ų15486%0.86479%0.792SS**  -177.1127.789.9-127.8178.1-175.5174.70.9112.3
361N32.6Very low34.3Very low139 Ų139149.7 Ų149.774%0.74378%0.782SS**  trans11.6142.2145.8-47.8-21.4000118.3
362Q35.9Very low34.9Very low187 Ų187153.8 Ų153.887%0.87479%0.79SS**  -160.6150.752.9-72.2171.721.600111.5
363N31.9Very low34.7Very low163 Ų163156.3 Ų156.387%0.87280%0.797SS**  trans-45.1133.2169.3-79.2-67.3000113.8
364L35.5Very low35.1Very low159 Ų159153 Ų15383%0.83279%0.793SS**  trans-147.3125.7138.1-158.967.6000107.9Q366L364-Q366 PolarHBondContact O-N 2.81Å
365E44.1Very low35.4Very low189 Ų189153.1 Ų153.188%0.88380%0.801SS**  trans-56.2123.3179.6-64.8-157.6149.900111.3
366Q35.3Very low35.8Very low177 Ų177153.6 Ų153.683%0.82780%0.797SS**  trans-139.6114.7163.2-98.7170.820.400108.7L364L364-Q366 PolarHBondContact O-N 2.81Å
367T35.3Very low36.1Very low134 Ų134156.4 Ų156.482%0.82281%0.805SS**  trans-48.4134.8167.533.50000110.9D369T367-D369 PolarHBondContact O-N 3.2Å
368P38.2Very low36.4Very low122 Ų122159 Ų15979%0.79280%0.802SS**  trans-72.6116.6-18026.6-31000111V370P368-V370 PolarHBondContact O-N 3.33Å
369D35.4Very low37.1Very low147 Ų147161.8 Ų161.879%0.78680%0.803SS**  trans-52114.7170.8-164.64.9000111.6T367 C371T367-D369 PolarHBondContact O-N 3.2Å; D369-C371 PolarHBondContact O-N 3.43Å
370V38.4Very low37.4Very low138 Ų138159.1 Ų159.184%0.83680%0.801SS**  trans-85.787.7173.3-179.60000107.6P368P368-V370 PolarHBondContact O-N 3.33Å
371C37.3Very low38Very low94 Ų94157.1 Ų157.164%0.63580%0.799SS**  trans-151.672.9166-89.90000110.8D369D369-C371 PolarHBondContact O-N 3.43Å
372R42.7Very low38.3Very low259 Ų259155.6 Ų155.698%0.97780%0.799SS**  trans-102.278.5154.2-74-168.7178.5-165.60.7108.4
373L39.7Very low38.6Very low152 Ų152152.6 Ų152.680%0.79680%0.795SS**  trans-74136164.6-81.6161.8000108.8N375L373-N375 PolarHBondContact O-N 2.97Å
374A38.3Very low39.2Very low67 Ų67154.3 Ų154.355%0.55480%0.795SS**  trans-60.2128.7177.100000110.6F376A374-F376 HydrophobicContact CB-CD2 4.2Å; A374-F376 HydrophobicContact CB-CE2 3.68Å; A374-F376 HydrophobicContact CB-CZ 4.1Å; A374-F376 WeakPolarHBondContact O-CD2 3.32Å; A374-F376 PolarHBondContact O-N 3.38Å
375N37Very low39.4Very low160 Ų160158.3 Ų158.386%0.85680%0.799SS**  trans-69.496.4173.7-70-19.7000109.2L373L373-N375 PolarHBondContact O-N 2.97Å
376F39Very low39.3Very low156 Ų156156.3 Ų156.368%0.68480%0.795SS**  trans-88.2113.4166-67-77000108.9A374 F378A374-F376 HydrophobicContact CB-CD2 4.2Å; A374-F376 HydrophobicContact CB-CE2 3.68Å; A374-F376 HydrophobicContact CB-CZ 4.1Å; A374-F376 WeakPolarHBondContact O-CD2 3.32Å; A374-F376 PolarHBondContact O-N 3.38Å; F376-F378 HydrophobicContact CB-CD2 4.48Å; F376-F378 HydrophobicContact CB-CE2 3.84Å; F376-F378 HydrophobicContact CB-CZ 4.09Å; F376-F378 WeakPolarHBondContact O-CD2 3.08Å; F376-F378 PolarHBondContact O-N 2.88Å
377N37.4Very low39.7Very low159 Ų159153.8 Ų153.885%0.8579%0.794SS**  trans-75.3107.1172.9-78-33.1000109.5
378F38.1Very low39.9Very low165 Ų165158.8 Ų158.872%0.72480%0.798SS**  trans-88.6111.3169.2-64.8-80.5000109.4F376 H380F376-F378 HydrophobicContact CB-CD2 4.48Å; F376-F378 HydrophobicContact CB-CE2 3.84Å; F376-F378 HydrophobicContact CB-CZ 4.09Å; F376-F378 WeakPolarHBondContact O-CD2 3.08Å; F376-F378 PolarHBondContact O-N 2.88Å; F378-H380 PolarHBondContact O-N 3.46Å
379Q44.4Very low40Very low166 Ų166158.9 Ų158.978%0.77680%0.798SS**  trans-76.1111.1165.2-74-177.3-2.600108.5F381Q379-F381 PolarHBondContact O-N 2.65Å
380H38.5Very low40.2Very low179 Ų179156.1 Ų156.183%0.82979%0.79SS**  trans-73.8112.4171.7-69.4-80.2000109.6F378F378-H380 PolarHBondContact O-N 3.46Å
381F43.1Very low40.3Very low187 Ų187159.5 Ų159.582%0.8279%0.794SS**PPolyproline II helixtrans-80.3120.6163.9-72.9-82000109Q379Q379-F381 PolarHBondContact O-N 2.65Å
382S39.9Very low40.2Very low107 Ų107163.6 Ų163.675%0.74880%0.801SS**PPolyproline II helixtrans-72140172.835.60000110.7K384S382-K384 PolarHBondContact O-N 3.34Å
383P40.5Very low40.4Very low124 Ų124157.1 Ų157.181%0.80579%0.793SS**PPolyproline II helixtrans-71.7122.3-176.926.3-30.8000110.5R385P383-R385 PolarHBondContact O-N 2.67Å
384K44.4Very low40.7Very low200 Ų200156.9 Ų156.987%0.8780%0.798SS**  trans-64.5114168.1-76-177177.7179.10108.9S382 N386S382-K384 PolarHBondContact O-N 3.34Å; K384-N386 PolarHBondContact O-N 3.36Å
385R41.2Very low40.7Very low242 Ų242160.5 Ų160.591%0.91384%0.841SS**PPolyproline II helixtrans-69.6118.6165.1-83.9-179.2168.3173.2-2.7108.8P383P383-R385 PolarHBondContact O-N 2.67Å
386N40.9Very low40.8Very low147 Ų147160.6 Ų160.679%0.78684%0.841SS**PPolyproline II helixtrans-74.3132.1167.3-69.5-27.6000109.5K384K384-N386 PolarHBondContact O-N 3.36Å
387P43.7Very low40.9Very low125 Ų125160.8 Ų160.881%0.81285%0.849SS**PPolyproline II helixtrans-72.1140.817327.4-29.7000111.1
388R40.4Very low41.1Very low239 Ų239160.9 Ų160.990%0.90285%0.849SS**PPolyproline II helixtrans-62.7146.8175.8-71.3178.6175177.7-2.3110.9
389P40.3Very low41.3Very low123 Ų123160.6 Ų160.680%0.79986%0.856SS**PPolyproline II helixtrans-74.8130173.630.1-30.9000110.6
390S40.1Very low41.1Very low89 Ų89160.3 Ų160.362%0.62286%0.861SS**PPolyproline II helixtrans-75.5130.4171.249.90000110.7
391F39.6Very low41.3Very low210 Ų210159.1 Ų159.192%0.92186%0.864SS**PPolyproline II helixtrans-67.9131.7166.9-78.9-96.9000110
392F35.1Very low41.2Very low179 Ų179157.1 Ų157.179%0.78587%0.867SS**PPolyproline II helixtrans-99.8140.8165.6-70.8-82000109.6
393P46.2Very low41.3Very low123 Ų123160.9 Ų160.980%0.79988%0.876SS**PPolyproline II helixtrans-83.7137.7167.533.7-27.8000109.5
394V45.9Very low41.3Very low148 Ų148164 Ų16490%0.89788%0.882SS**PPolyproline II helixtrans-90.4124.4168.6178.30000107.3
395G38Very low41Very low143 Ų143160.7 Ų160.7100%1.47488%0.883SS**  trans-95.50166.200000111.5

Retrieved 395 of 395 residues in 45.7 ms (Link to these results)