A0A096MTU0_PAPAN Loading...

Metadherin

AlphaFold DB , UniProt , Accession A0A096MTU0, Species PAPAN (Papio anubis, Olive baboon), Gene MTDH, Length 582 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
1M45.4Very low73.2Confident249 Ų249123.7 Ų123.7100%1.22766%0.657SS**  0123.30-69.1165174.300107.2
2A50Low74.2Confident97 Ų97120.2 Ų120.280%0.80263%0.634SS**PPolyproline II helixtrans-75.3146167.300000108.8R4A2-R4 PolarHBondContact O-N 3.5Å
3A54Low74.8Confident100 Ų100121.3 Ų121.383%0.82663%0.634SS**PPolyproline II helixtrans-70.7126.9167.700000108.2
4R72.1Confident75.5Confident186 Ų186117.3 Ų117.370%0.70263%0.627SS**PPolyproline II helixtrans-60.1144.4167.7-77.6179.1167.8166.7-7.9108.7A2A2-R4 PolarHBondContact O-N 3.5Å
5S85.3Confident76.1Confident53 Ų53118.3 Ų118.337%0.37163%0.626SS.*PPolyproline II helixtrans-73.5151.5172.481.10000109.4Q7 D8 E9S5-Q7 PolarHBondContact O-N 2.95Å; S5-Q7 VanDerWaalsContact O-N 3.14Å; S5-Q7 PolarHBondContact OG-N 2.83Å; S5-D8 WeakPolarHBondContact CA-OD2 3.39Å; S5-D8 WeakPolarHBondContact CB-OD2 3.18Å; S5-D8 PolarHBondContact N-OD2 2.87Å; S5-D8 WeakPolarHBondContact O-CB 2.91Å; S5-D8 PolarHBondContact O-N 2.9Å; S5-D8 PolarHBondContact OG-N 3.01Å; S5-D8 VanDerWaalsContact OG-N 3.12Å; S5-D8 PolarHBondContact OG-OD2 3.04Å; S5-E9 PolarHBondContact O-N 2.7Å
6W84.6Confident76.8Confident189 Ų189116.1 Ų116.172%0.71661%0.611SS**Hα-helixtrans-64.2-15.9174-171.362.6000112.5L10W6-L10 HydrophobicContact CD2-CD1 3.98Å; W6-L10 HydrophobicContact CD2-CG 4.41Å; W6-L10 HydrophobicContact CE3-CD1 3.76Å; W6-L10 HydrophobicContact CH2-CD1 3.76Å; W6-L10 HydrophobicContact CZ2-CD1 3.95Å; W6-L10 HydrophobicContact CZ2-CD2 4.41Å; W6-L10 HydrophobicContact CZ2-CG 4.32Å; W6-L10 HydrophobicContact CZ3-CD1 3.66Å; W6-L10 WeakPolarHBondContact O-CB 3.34Å; W6-L10 WeakPolarHBondContact O-CG 3.19Å; W6-L10 PolarHBondContact O-N 3.29Å; W6-L10 VanDerWaalsContact O-N 3.09Å
7Q80.3Confident77.4Confident153 Ų153111 Ų11172%0.71559%0.593SS**Hα-helixtrans-77.6-36.8171.7-67.4-171.4-21.400112.2S5 E9 L10 A11S5-Q7 PolarHBondContact O-N 2.95Å; S5-Q7 VanDerWaalsContact O-N 3.14Å; S5-Q7 PolarHBondContact OG-N 2.83Å; Q7-E9 VanDerWaalsContact C-N 3.31Å; Q7-L10 PolarHBondContact O-N 3.36Å; Q7-A11 VanDerWaalsContact O-CB 3.31Å; Q7-A11 WeakPolarHBondContact O-CB 3.45Å; Q7-A11 PolarHBondContact O-N 3.1Å
8D84.7Confident77.8Confident87 Ų87106.9 Ų106.947%0.46558%0.575SS.*Hα-helixtrans-63.5-41.2172.9-52.9-56.7000110.6S5 A11 Q12S5-D8 WeakPolarHBondContact CA-OD2 3.39Å; S5-D8 WeakPolarHBondContact CB-OD2 3.18Å; S5-D8 PolarHBondContact N-OD2 2.87Å; S5-D8 WeakPolarHBondContact O-CB 2.91Å; S5-D8 PolarHBondContact O-N 2.9Å; S5-D8 PolarHBondContact OG-N 3.01Å; S5-D8 VanDerWaalsContact OG-N 3.12Å; S5-D8 PolarHBondContact OG-OD2 3.04Å; D8-A11 PolarHBondContact O-N 2.83Å; D8-Q12 WeakPolarHBondContact O-CB 3.38Å; D8-Q12 PolarHBondContact O-N 2.9Å
9E82.3Confident78.3Confident118 Ų118103.5 Ų103.555%0.55156%0.563SS**Hα-helixtrans-69.5-38.5179.8-164.9161.8-137.100111.9S5 Q7 Q13S5-E9 PolarHBondContact O-N 2.7Å; Q7-E9 VanDerWaalsContact C-N 3.31Å; E9-Q13 VanDerWaalsContact O-CB 3.3Å; E9-Q13 WeakPolarHBondContact O-CB 3.49Å; E9-Q13 PolarHBondContact O-N 3.06Å
10L83.3Confident78.7Confident70 Ų70106.3 Ų106.337%0.36657%0.565SS.*Hα-helixtrans-65.3-39.5169.3-81.6171.9000113W6 Q7 Q13 A14W6-L10 HydrophobicContact CD2-CD1 3.98Å; W6-L10 HydrophobicContact CD2-CG 4.41Å; W6-L10 HydrophobicContact CE3-CD1 3.76Å; W6-L10 HydrophobicContact CH2-CD1 3.76Å; W6-L10 HydrophobicContact CZ2-CD1 3.95Å; W6-L10 HydrophobicContact CZ2-CD2 4.41Å; W6-L10 HydrophobicContact CZ2-CG 4.32Å; W6-L10 HydrophobicContact CZ3-CD1 3.66Å; W6-L10 WeakPolarHBondContact O-CB 3.34Å; W6-L10 WeakPolarHBondContact O-CG 3.19Å; W6-L10 PolarHBondContact O-N 3.29Å; W6-L10 VanDerWaalsContact O-N 3.09Å; Q7-L10 PolarHBondContact O-N 3.36Å; L10-Q13 PolarHBondContact O-N 2.75Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 3.2Å
11A83.1Confident79.1Confident59 Ų59106.7 Ų106.749%0.48857%0.567SS.*Hα-helixtrans-64.8-46.6177.300000110.9Q7 D8 Q13 A14 E15Q7-A11 VanDerWaalsContact O-CB 3.31Å; Q7-A11 WeakPolarHBondContact O-CB 3.45Å; Q7-A11 PolarHBondContact O-N 3.1Å; D8-A11 PolarHBondContact O-N 2.83Å; A11-Q13 PolarHBondContact O-N 3.02Å; A11-A14 PolarHBondContact O-N 3.32Å; A11-E15 WeakPolarHBondContact O-CB 3.18Å; A11-E15 PolarHBondContact O-N 3.49Å
12Q85.6Confident81Confident81 Ų81102.6 Ų102.638%0.37954%0.538SS..Hα-helixtrans-62.9-42.3175.6-164.1-171.1-4800111.4D8 A14 E15 E16D8-Q12 WeakPolarHBondContact O-CB 3.38Å; D8-Q12 PolarHBondContact O-N 2.9Å; Q12-A14 VanDerWaalsContact C-N 3.33Å; Q12-A14 PolarHBondContact O-N 2.91Å; Q12-E15 PolarHBondContact O-N 3.17Å; Q12-E16 PolarHBondContact NE2-OE1 3.12Å; Q12-E16 WeakPolarHBondContact O-CB 3.46Å; Q12-E16 WeakPolarHBondContact O-CG 3.39Å; Q12-E16 PolarHBondContact O-N 2.91Å
13Q82.3Confident83Confident135 Ų135104.1 Ų104.163%0.63153%0.528SS*.Hα-helixtrans-63.4-37.5175.7-172.3-174.8-17.300112.3E9 L10 A11 G17E9-Q13 VanDerWaalsContact O-CB 3.3Å; E9-Q13 WeakPolarHBondContact O-CB 3.49Å; E9-Q13 PolarHBondContact O-N 3.06Å; L10-Q13 PolarHBondContact O-N 2.75Å; A11-Q13 PolarHBondContact O-N 3.02Å; Q13-G17 PolarHBondContact O-N 3.2Å
14A83.8Confident84.6Confident65 Ų65106 Ų10654%0.53752%0.522SS..Hα-helixtrans-69-38.617500000112L10 A11 Q12 G17 S18L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 3.2Å; A11-A14 PolarHBondContact O-N 3.32Å; Q12-A14 VanDerWaalsContact C-N 3.33Å; Q12-A14 PolarHBondContact O-N 2.91Å; A14-G17 PolarHBondContact O-N 3.39Å; A14-S18 WeakPolarHBondContact O-CB 3.47Å; A14-S18 PolarHBondContact O-N 3.39Å
15E84.8Confident85.2Confident133 Ų133100.7 Ų100.762%0.62151%0.507SS*.Hα-helixtrans-66-50.6176-175164.9-149.400111.5A11 Q12 G17 S18 A19A11-E15 WeakPolarHBondContact O-CB 3.18Å; A11-E15 PolarHBondContact O-N 3.49Å; Q12-E15 PolarHBondContact O-N 3.17Å; E15-G17 VanDerWaalsContact C-N 3.3Å; E15-G17 PolarHBondContact O-N 3.01Å; E15-S18 WeakPolarHBondContact O-CB 3.47Å; E15-S18 PolarHBondContact O-N 3.5Å; E15-S18 PolarHBondContact O-OG 3.06Å; E15-A19 PolarHBondContact O-N 2.7Å
16E86.9Confident85.2Confident82 Ų82101.6 Ų101.638%0.38351%0.513SS..Hα-helixtrans-58.5-40.4174-73.9-176.3-143.300112.1Q12 A19 R20Q12-E16 PolarHBondContact NE2-OE1 3.12Å; Q12-E16 WeakPolarHBondContact O-CB 3.46Å; Q12-E16 WeakPolarHBondContact O-CG 3.39Å; Q12-E16 PolarHBondContact O-N 2.91Å; E16-A19 PolarHBondContact O-N 3.26Å; E16-R20 WeakPolarHBondContact O-CG 3.49Å; E16-R20 PolarHBondContact O-N 2.91Å; E16-R20 VanDerWaalsContact O-N 3.12Å; E16-R20 IonicContact OE2-NH2 3.15Å; E16-R20 PolarHBondContact OE2-NH2 3.37Å
17G86.8Confident85.2Confident30 Ų3097.7 Ų97.731%0.30951%0.51SS..Hα-helixtrans-62.3-42.217300000112.4Q13 A14 E15 L21Q13-G17 PolarHBondContact O-N 3.2Å; A14-G17 PolarHBondContact O-N 3.39Å; E15-G17 VanDerWaalsContact C-N 3.3Å; E15-G17 PolarHBondContact O-N 3.01Å; G17-L21 WeakPolarHBondContact O-CB 3.36Å; G17-L21 VanDerWaalsContact O-CG 3.31Å; G17-L21 WeakPolarHBondContact O-CG 3.03Å; G17-L21 PolarHBondContact O-N 3.44Å
18S84.7Confident85.5Confident38 Ų3891.9 Ų91.927%0.26649%0.491SS..Hα-helixtrans-67.3-35.3177.383.80000112.7A14 E15 L21 R22A14-S18 WeakPolarHBondContact O-CB 3.47Å; A14-S18 PolarHBondContact O-N 3.39Å; E15-S18 WeakPolarHBondContact O-CB 3.47Å; E15-S18 PolarHBondContact O-N 3.5Å; E15-S18 PolarHBondContact O-OG 3.06Å; S18-L21 PolarHBondContact O-N 3.28Å; S18-R22 WeakPolarHBondContact O-CB 3.45Å; S18-R22 WeakPolarHBondContact O-CD 3.13Å; S18-R22 VanDerWaalsContact O-CG 3.25Å; S18-R22 WeakPolarHBondContact O-CG 3.42Å; S18-R22 PolarHBondContact O-N 3.47Å
19A88.1Confident85.2Confident42 Ų4289.7 Ų89.735%0.34748%0.479SS..Hα-helixtrans-64.4-52175.900000110.7E15 E16 L21 R22 E23E15-A19 PolarHBondContact O-N 2.7Å; E16-A19 PolarHBondContact O-N 3.26Å; A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 2.98Å; A19-R22 WeakPolarHBondContact O-CB 3.47Å; A19-R22 PolarHBondContact O-N 2.7Å; A19-E23 WeakPolarHBondContact O-CG 3.49Å; A19-E23 PolarHBondContact O-N 3.4Å
20R85.9Confident85Confident158 Ų15885.6 Ų85.660%0.59647%0.468SS*.Hα-helixtrans-61.7-35.6177.3-64177.2-158.7-172.810.1112.5E16 E23 M24E16-R20 WeakPolarHBondContact O-CG 3.49Å; E16-R20 PolarHBondContact O-N 2.91Å; E16-R20 VanDerWaalsContact O-N 3.12Å; E16-R20 IonicContact OE2-NH2 3.15Å; E16-R20 PolarHBondContact OE2-NH2 3.37Å; R20-E23 PolarHBondContact O-N 3Å; R20-M24 WeakPolarHBondContact O-CB 3.43Å; R20-M24 VanDerWaalsContact O-CG 3.27Å; R20-M24 WeakPolarHBondContact O-CG 3.4Å; R20-M24 PolarHBondContact O-N 3.1Å
21L87.1Confident84.9Confident115 Ų11587.8 Ų87.860%0.60248%0.475SS*.Hα-helixtrans-65.8-41.3172.8-77.4168.9000112.2G17 S18 A19 M24 L25G17-L21 WeakPolarHBondContact O-CB 3.36Å; G17-L21 VanDerWaalsContact O-CG 3.31Å; G17-L21 WeakPolarHBondContact O-CG 3.03Å; G17-L21 PolarHBondContact O-N 3.44Å; S18-L21 PolarHBondContact O-N 3.28Å; A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 2.98Å; L21-M24 PolarHBondContact O-N 3.07Å; L21-L25 VanDerWaalsContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CB 3.36Å; L21-L25 WeakPolarHBondContact O-CD1 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.22Å; L21-L25 PolarHBondContact O-N 2.9Å
22R85.1Confident84.7Confident164 Ų16487.5 Ų87.562%0.61947%0.465SS*.Hα-helixtrans-64.1-40.5174.8-74164175.9159.1-1.6112S18 A19 L25 S26S18-R22 WeakPolarHBondContact O-CB 3.45Å; S18-R22 WeakPolarHBondContact O-CD 3.13Å; S18-R22 VanDerWaalsContact O-CG 3.25Å; S18-R22 WeakPolarHBondContact O-CG 3.42Å; S18-R22 PolarHBondContact O-N 3.47Å; A19-R22 WeakPolarHBondContact O-CB 3.47Å; A19-R22 PolarHBondContact O-N 2.7Å; R22-L25 PolarHBondContact O-N 2.75Å; R22-S26 VanDerWaalsContact O-CB 3.29Å; R22-S26 WeakPolarHBondContact O-CB 3.44Å; R22-S26 PolarHBondContact O-N 3.39Å
23E91.8Very high84.4Confident128 Ų12891 Ų9160%0.59848%0.475SS*.Hα-helixtrans-62-52.2174.3-70.3173.1159.500111.3A19 R20 L25 S26 V27A19-E23 WeakPolarHBondContact O-CG 3.49Å; A19-E23 PolarHBondContact O-N 3.4Å; R20-E23 PolarHBondContact O-N 3Å; E23-L25 VanDerWaalsContact C-N 3.31Å; E23-L25 PolarHBondContact O-N 3.16Å; E23-S26 PolarHBondContact O-N 3.4Å; E23-S26 VanDerWaalsContact O-N 3.08Å; E23-V27 WeakPolarHBondContact O-CG2 3.44Å; E23-V27 PolarHBondContact O-N 3.2Å
24M87.2Confident84.1Confident140 Ų14089.9 Ų89.969%0.6948%0.477SS*.Hα-helixtrans-60.3-38.6177.8-72.1-66.8-65.700112.6R20 L21 G28R20-M24 WeakPolarHBondContact O-CB 3.43Å; R20-M24 VanDerWaalsContact O-CG 3.27Å; R20-M24 WeakPolarHBondContact O-CG 3.4Å; R20-M24 PolarHBondContact O-N 3.1Å; L21-M24 PolarHBondContact O-N 3.07Å; M24-G28 PolarHBondContact O-N 2.81Å
25L84.6Confident83.8Confident74 Ų7493.4 Ų93.439%0.38748%0.483SS..Hα-helixtrans-69.6-35.6174.1-74.4168000112.3L21 R22 E23 L29 I52L21-L25 VanDerWaalsContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CB 3.36Å; L21-L25 WeakPolarHBondContact O-CD1 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.22Å; L21-L25 PolarHBondContact O-N 2.9Å; R22-L25 PolarHBondContact O-N 2.75Å; E23-L25 VanDerWaalsContact C-N 3.31Å; E23-L25 PolarHBondContact O-N 3.16Å; L25-L29 WeakPolarHBondContact O-CB 3.27Å; L25-L29 PolarHBondContact O-N 3.37Å; L25-I52 HydrophobicContact CD1-CG2 3.98Å
26S85.1Confident83.2Confident73 Ų7391.9 Ų91.951%0.5148%0.478SS..Hα-helixtrans-69-40.5176-168.40000112R22 E23 G30R22-S26 VanDerWaalsContact O-CB 3.29Å; R22-S26 WeakPolarHBondContact O-CB 3.44Å; R22-S26 PolarHBondContact O-N 3.39Å; E23-S26 PolarHBondContact O-N 3.4Å; E23-S26 VanDerWaalsContact O-N 3.08Å; S26-G30 PolarHBondContact O-N 2.86Å
27V86.3Confident82.3Confident107 Ų10790.8 Ų90.865%0.64849%0.489SS*.Hα-helixtrans-67.3-44174.2173.90000110.5E23 G30 F31E23-V27 WeakPolarHBondContact O-CG2 3.44Å; E23-V27 PolarHBondContact O-N 3.2Å; V27-G30 PolarHBondContact O-N 3.36Å; V27-F31 WeakPolarHBondContact O-CB 3.38Å; V27-F31 PolarHBondContact O-N 3.03Å
28G85.8Confident81.2Confident30 Ų3093.8 Ų93.831%0.30950%0.498SS..Hα-helixtrans-62.7-47.1176.200000113.2M24 F31 L32M24-G28 PolarHBondContact O-N 2.81Å; G28-F31 PolarHBondContact O-N 3.33Å; G28-L32 WeakPolarHBondContact O-CD1 3.43Å; G28-L32 PolarHBondContact O-N 2.79Å
29L79.5Confident80.4Confident41 Ų4196 Ų9622%0.21551%0.507CS..Hα-helixtrans-64.9-39.4177.1-178.162000111.6L25 L32 R33 L40 L42 P44L25-L29 WeakPolarHBondContact O-CB 3.27Å; L25-L29 PolarHBondContact O-N 3.37Å; L29-L32 PolarHBondContact O-N 2.58Å; L29-R33 WeakPolarHBondContact O-CB 3.34Å; L29-R33 PolarHBondContact O-N 3.22Å; L29-L40 HydrophobicContact CD1-CB 3.98Å; L29-L40 HydrophobicContact CD1-CD1 4.08Å; L29-L40 HydrophobicContact CD1-CG 4.47Å; L29-L42 HydrophobicContact CD2-CB 4.44Å; L29-L42 WeakPolarHBondContact CD2-O 3.37Å; L29-P44 HydrophobicContact CD2-CG 4.32Å
30G78Confident79.2Confident32 Ų3298.1 Ų98.133%0.3351%0.512SS..Hα-helixtrans-57.4-49.4171.200000111.9S26 V27 L32 R33 T34S26-G30 PolarHBondContact O-N 2.86Å; V27-G30 PolarHBondContact O-N 3.36Å; G30-L32 PolarHBondContact O-N 3.45Å; G30-R33 WeakPolarHBondContact O-CB 3.39Å; G30-R33 PolarHBondContact O-N 3.29Å; G30-R33 VanDerWaalsContact O-N 3.14Å; G30-T34 WeakPolarHBondContact O-CG2 3.24Å; G30-T34 PolarHBondContact O-N 2.88Å; G30-T34 PolarHBondContact O-OG1 2.96Å
31F80.3Confident78Confident116 Ų11692.7 Ų92.751%0.50951%0.505SS..Hα-helixtrans-60.8-43.3177.1-176.9-90.4000112.8V27 G28 R33 T34 E35 L36V27-F31 WeakPolarHBondContact O-CB 3.38Å; V27-F31 PolarHBondContact O-N 3.03Å; G28-F31 PolarHBondContact O-N 3.33Å; F31-R33 VanDerWaalsContact C-N 3.28Å; F31-R33 PolarHBondContact O-N 2.89Å; F31-T34 PolarHBondContact O-N 3.12Å; F31-T34 PolarHBondContact O-OG1 3.05Å; F31-E35 HydrophobicContact CD2-CG 3.96Å; F31-E35 HydrophobicContact CE1-CB 4.32Å; F31-E35 HydrophobicContact CE1-CG 4.46Å; F31-E35 HydrophobicContact CE2-CB 4.41Å; F31-E35 HydrophobicContact CE2-CG 3.69Å; F31-E35 HydrophobicContact CG-CG 4.46Å; F31-E35 HydrophobicContact CZ-CB 4.22Å; F31-E35 HydrophobicContact CZ-CG 3.96Å; F31-E35 WeakPolarHBondContact O-CB 3.31Å; F31-E35 PolarHBondContact O-N 2.61Å; F31-L36 HydrophobicContact CE1-CD1 4.27Å
32L78.6Confident76.8Confident54 Ų5490.5 Ų90.528%0.28349%0.493SS..Hα-helixtrans-61.3-37.2174.3-92.977.3000112G28 L29 G30 L36 G37 L38 L40G28-L32 WeakPolarHBondContact O-CD1 3.43Å; G28-L32 PolarHBondContact O-N 2.79Å; L29-L32 PolarHBondContact O-N 2.58Å; G30-L32 PolarHBondContact O-N 3.45Å; L32-L36 CarbonylContact O-C 3.54Å; L32-L36 WeakPolarHBondContact O-CB 3.22Å; L32-L36 PolarHBondContact O-N 2.76Å; L32-G37 PolarHBondContact O-N 3.42Å; L32-G37 VanDerWaalsContact O-N 3.15Å; L32-L38 PolarHBondContact O-N 3.14Å; L32-L38 VanDerWaalsContact O-N 3.1Å; L32-L40 HydrophobicContact CD2-CD1 3.73Å
33R79.4Confident75.7Confident154 Ų15487.2 Ų87.258%0.58149%0.485SS*.Hα-helixtrans-71-38.6177.9-158.9-176.6-160.6-1475.9112.6L29 G30 F31 D39L29-R33 WeakPolarHBondContact O-CB 3.34Å; L29-R33 PolarHBondContact O-N 3.22Å; G30-R33 WeakPolarHBondContact O-CB 3.39Å; G30-R33 PolarHBondContact O-N 3.29Å; G30-R33 VanDerWaalsContact O-N 3.14Å; F31-R33 VanDerWaalsContact C-N 3.28Å; F31-R33 PolarHBondContact O-N 2.89Å; R33-D39 HydrophobicContact CG-CB 4.27Å; R33-D39 IonicContact CZ-OD2 3.97Å; R33-D39 IonicContact NE-OD1 2.58Å; R33-D39 IonicContact NE-OD2 2.79Å; R33-D39 PolarHBondContact NE-OD2 3.24Å; R33-D39 IonicContact NH2-OD2 2.61Å; R33-D39 PolarHBondContact NH2-OD2 3.42Å
34T76Confident74.2Confident111 Ų11184.4 Ų84.468%0.68148%0.478SS*.Hα-helixtrans-85.8-39.2-176.355.90000114.4G30 F31G30-T34 WeakPolarHBondContact O-CG2 3.24Å; G30-T34 PolarHBondContact O-N 2.88Å; G30-T34 PolarHBondContact O-OG1 2.96Å; F31-T34 PolarHBondContact O-N 3.12Å; F31-T34 PolarHBondContact O-OG1 3.05Å
35E77.6Confident72.9Confident139 Ų13987.6 Ų87.665%0.6549%0.488SS*.Hα-helixtrans-99.2-33.9-173.1-68.6-76.2166.800113F31F31-E35 HydrophobicContact CD2-CG 3.96Å; F31-E35 HydrophobicContact CE1-CB 4.32Å; F31-E35 HydrophobicContact CE1-CG 4.46Å; F31-E35 HydrophobicContact CE2-CB 4.41Å; F31-E35 HydrophobicContact CE2-CG 3.69Å; F31-E35 HydrophobicContact CG-CG 4.46Å; F31-E35 HydrophobicContact CZ-CB 4.22Å; F31-E35 HydrophobicContact CZ-CG 3.96Å; F31-E35 WeakPolarHBondContact O-CB 3.31Å; F31-E35 PolarHBondContact O-N 2.61Å
36L72.5Confident72Confident101 Ų10193.1 Ų93.153%0.52950%0.504SS..SBendtrans-102.6-11.7-179.7-79.174000113.1F31 L32 L38F31-L36 HydrophobicContact CE1-CD1 4.27Å; L32-L36 CarbonylContact O-C 3.54Å; L32-L36 WeakPolarHBondContact O-CB 3.22Å; L32-L36 PolarHBondContact O-N 2.76Å; L36-L38 HydrophobicContact CB-CB 4.44Å; L36-L38 HydrophobicContact CB-CD1 4.29Å; L36-L38 PolarHBondContact O-N 2.91Å; L36-L38 VanDerWaalsContact O-N 3.13Å
37G68.2Low71Confident60 Ų6094.6 Ų94.662%0.61950%0.499SS*.  trans64.18.6-171.800000114.2L32 D39L32-G37 PolarHBondContact O-N 3.42Å; L32-G37 VanDerWaalsContact O-N 3.15Å; G37-D39 PolarHBondContact O-N 3.4Å
38L62.6Low70.7Confident92 Ų9292.7 Ų92.748%0.48249%0.489SS..  trans-81.883.5177.8-99.779.5000109.4L32 L36 L40L32-L38 PolarHBondContact O-N 3.14Å; L32-L38 VanDerWaalsContact O-N 3.1Å; L36-L38 HydrophobicContact CB-CB 4.44Å; L36-L38 HydrophobicContact CB-CD1 4.29Å; L36-L38 PolarHBondContact O-N 2.91Å; L36-L38 VanDerWaalsContact O-N 3.13Å; L38-L40 PolarHBondContact O-N 3.23Å; L38-L40 VanDerWaalsContact O-N 3.12Å
39D68.1Low70.2Confident85 Ų8593.8 Ų93.846%0.45550%0.5SS..  trans-71101.3161.8-162.1-21.9000109.4R33 G37 G41R33-D39 HydrophobicContact CG-CB 4.27Å; R33-D39 IonicContact CZ-OD2 3.97Å; R33-D39 IonicContact NE-OD1 2.58Å; R33-D39 IonicContact NE-OD2 2.79Å; R33-D39 PolarHBondContact NE-OD2 3.24Å; R33-D39 IonicContact NH2-OD2 2.61Å; R33-D39 PolarHBondContact NH2-OD2 3.42Å; G37-D39 PolarHBondContact O-N 3.4Å; D39-G41 PolarHBondContact O-N 3.13Å; D39-G41 PolarHBondContact OD1-N 3.08Å
40L64.4Low70.4Confident87 Ų87100.7 Ų100.746%0.45552%0.523SS..  trans-75.3-2.9179.5-73.1165.7000113.3L29 L32 L38 L42L29-L40 HydrophobicContact CD1-CB 3.98Å; L29-L40 HydrophobicContact CD1-CD1 4.08Å; L29-L40 HydrophobicContact CD1-CG 4.47Å; L32-L40 HydrophobicContact CD2-CD1 3.73Å; L38-L40 PolarHBondContact O-N 3.23Å; L38-L40 VanDerWaalsContact O-N 3.12Å; L40-L42 HydrophobicContact CB-CB 4.45Å; L40-L42 HydrophobicContact CB-CD1 4.08Å; L40-L42 HydrophobicContact CB-CG 4.37Å; L40-L42 PolarHBondContact O-N 2.96Å
41G59.9Low70.7Confident44 Ų44101.8 Ų101.845%0.45452%0.523SS..  trans636.6-178.700000114.9D39 E43D39-G41 PolarHBondContact O-N 3.13Å; D39-G41 PolarHBondContact OD1-N 3.08Å; G41-E43 VanDerWaalsContact C-N 3.33Å; G41-E43 PolarHBondContact O-N 3.05Å
42L61.2Low70.7Confident68 Ų6898.1 Ų98.136%0.35651%0.508SS..  trans-80.472.7-175.1-83.1167.3000111.2L29 L40 P44 Y47L29-L42 HydrophobicContact CD2-CB 4.44Å; L29-L42 WeakPolarHBondContact CD2-O 3.37Å; L40-L42 HydrophobicContact CB-CB 4.45Å; L40-L42 HydrophobicContact CB-CD1 4.08Å; L40-L42 HydrophobicContact CB-CG 4.37Å; L40-L42 PolarHBondContact O-N 2.96Å; L42-P44 WeakPolarHBondContact O-CD 3.37Å; L42-P44 WeakPolarHBondContact O-CG 3.46Å; L42-P44 VanDerWaalsContact O-N 3.08Å; L42-Y47 HydrophobicContact CD2-CD2 3.88Å; L42-Y47 HydrophobicContact CD2-CE2 4.1Å; L42-Y47 HydrophobicContact CD2-CG 4.23Å
43E62.4Low70.7Confident95 Ų95101.6 Ų101.644%0.44453%0.527SS..  trans-57.7108.2169.9-74.2-164.1134.300111G41 K45 R46 Y47G41-E43 VanDerWaalsContact C-N 3.33Å; G41-E43 PolarHBondContact O-N 3.05Å; E43-K45 PolarHBondContact O-N 3.31Å; E43-R46 HydrophobicContact CB-CB 4.35Å; E43-R46 PolarHBondContact O-N 2.85Å; E43-R46 IonicContact OE1-NH1 3.65Å; E43-R46 WeakPolarHBondContact OE2-CD 3.47Å; E43-R46 WeakPolarHBondContact OE2-CG 3.32Å; E43-R46 IonicContact OE2-CZ 3.5Å; E43-R46 IonicContact OE2-NE 3.56Å; E43-R46 IonicContact OE2-NH1 3.53Å; E43-R46 PolarHBondContact OE2-NH1 2.87Å; E43-Y47 WeakPolarHBondContact O-CD2 3.44Å; E43-Y47 PolarHBondContact O-N 2.85Å
44P60.4Low71.1Confident69 Ų6999 Ų9945%0.44853%0.528SS..THydrogen-bonded Turntrans-70-3.3-171.4-19.134000114L29 L42L29-P44 HydrophobicContact CD2-CG 4.32Å; L42-P44 WeakPolarHBondContact O-CD 3.37Å; L42-P44 WeakPolarHBondContact O-CG 3.46Å; L42-P44 VanDerWaalsContact O-N 3.08Å
45K59.4Low71.6Confident207 Ų20795.6 Ų95.690%0.952%0.515SS*.THydrogen-bonded Turntrans-94.2-25.9177.3-63.3178.2-179.7175.80113.2E43E43-K45 PolarHBondContact O-N 3.31Å
46R65.9Low72Confident191 Ų19192.2 Ų92.272%0.72150%0.504SS*.THydrogen-bonded Turntrans-94-34.9178.8-80.4-165.2171.8124.6-15.9113E43E43-R46 HydrophobicContact CB-CB 4.35Å; E43-R46 PolarHBondContact O-N 2.85Å; E43-R46 IonicContact OE1-NH1 3.65Å; E43-R46 WeakPolarHBondContact OE2-CD 3.47Å; E43-R46 WeakPolarHBondContact OE2-CG 3.32Å; E43-R46 IonicContact OE2-CZ 3.5Å; E43-R46 IonicContact OE2-NE 3.56Å; E43-R46 IonicContact OE2-NH1 3.53Å; E43-R46 PolarHBondContact OE2-NH1 2.87Å
47Y64.4Low72.9Confident104 Ų10489.1 Ų89.141%0.40850%0.496SS..SBendtrans-82.2121.4-178.6-67.8-74.1000111.9L42 E43 V51L42-Y47 HydrophobicContact CD2-CD2 3.88Å; L42-Y47 HydrophobicContact CD2-CE2 4.1Å; L42-Y47 HydrophobicContact CD2-CG 4.23Å; E43-Y47 WeakPolarHBondContact O-CD2 3.44Å; E43-Y47 PolarHBondContact O-N 2.85Å; Y47-V51 HydrophobicContact CD1-CG1 4.14Å
48P79.4Confident73.9Confident67 Ų6788.9 Ų88.944%0.43549%0.489SS..  trans-67.9139.117730.1-35000109.6W50 V51P48-W50 PolarHBondContact O-N 3.02Å; P48-V51 HydrophobicContact CG-CG2 4.02Å; P48-V51 WeakPolarHBondContact O-CB 3.48Å; P48-V51 PolarHBondContact O-N 2.82Å
49G76.1Confident75.2Confident53 Ų5389.4 Ų89.455%0.54649%0.491SS..Hα-helixtrans-57.6-20.3-161.200000116.9I52 L53G49-I52 PolarHBondContact O-N 3.44Å; G49-L53 WeakPolarHBondContact O-CB 3.49Å; G49-L53 PolarHBondContact O-N 2.86Å
50W83.4Confident76.4Confident186 Ų18687.4 Ų87.471%0.70549%0.491SS*.Hα-helixtrans-67.1-33.1172.860.1-78.2000112.8P48 L53 V54P48-W50 PolarHBondContact O-N 3.02Å; W50-L53 PolarHBondContact O-N 2.95Å; W50-V54 WeakPolarHBondContact O-CB 3.48Å; W50-V54 VanDerWaalsContact O-CG2 3.27Å; W50-V54 WeakPolarHBondContact O-CG2 3.46Å; W50-V54 PolarHBondContact O-N 3.38Å
51V83.8Confident77.7Confident55 Ų5588 Ų8833%0.33349%0.494SS..Hα-helixtrans-66.1-40.8173.5177.40000110.6Y47 P48 V54 G55Y47-V51 HydrophobicContact CD1-CG1 4.14Å; P48-V51 HydrophobicContact CG-CG2 4.02Å; P48-V51 WeakPolarHBondContact O-CB 3.48Å; P48-V51 PolarHBondContact O-N 2.82Å; V51-V54 PolarHBondContact O-N 3.06Å; V51-G55 PolarHBondContact O-N 2.87Å
52I80.3Confident79.2Confident38 Ų3890.4 Ų90.420%0.19550%0.496CS..Hα-helixtrans-66.1-41.6175.9-57.1176.7000110.4L25 G49 G55 T56L25-I52 HydrophobicContact CD1-CG2 3.98Å; G49-I52 PolarHBondContact O-N 3.44Å; I52-G55 PolarHBondContact O-N 2.62Å; I52-T56 HydrophobicContact CG2-CG2 4.45Å; I52-T56 WeakPolarHBondContact O-CB 3.21Å; I52-T56 WeakPolarHBondContact O-CG2 3.25Å; I52-T56 PolarHBondContact O-N 3.36Å; I52-T56 PolarHBondContact O-OG1 3.5Å
53L80Confident80.8Confident128 Ų12892.2 Ų92.267%0.6751%0.506SS*.Hα-helixtrans-67.2-40.6177.8-171.665.1000112.5G49 W50 T56 G57G49-L53 WeakPolarHBondContact O-CB 3.49Å; G49-L53 PolarHBondContact O-N 2.86Å; W50-L53 PolarHBondContact O-N 2.95Å; L53-T56 PolarHBondContact O-OG1 2.92Å; L53-G57 PolarHBondContact O-N 2.91Å
54V86.5Confident82.3Confident98 Ų9893.1 Ų93.159%0.59451%0.513SS*.Hα-helixtrans-68.7-42.2174.5169.90000111.2W50 V51 G57 A58W50-V54 WeakPolarHBondContact O-CB 3.48Å; W50-V54 VanDerWaalsContact O-CG2 3.27Å; W50-V54 WeakPolarHBondContact O-CG2 3.46Å; W50-V54 PolarHBondContact O-N 3.38Å; V51-V54 PolarHBondContact O-N 3.06Å; V54-G57 PolarHBondContact O-N 3.12Å; V54-A58 VanDerWaalsContact O-CB 3.24Å; V54-A58 WeakPolarHBondContact O-CB 3.44Å; V54-A58 PolarHBondContact O-N 3.46Å
55G87.9Confident83.7Confident41 Ų4196.2 Ų96.242%0.42352%0.519SS..Hα-helixtrans-64.1-47.1177.700000112.8V51 I52 A58 L59V51-G55 PolarHBondContact O-N 2.87Å; I52-G55 PolarHBondContact O-N 2.62Å; G55-A58 PolarHBondContact O-N 2.7Å; G55-L59 WeakPolarHBondContact O-CB 3.15Å; G55-L59 PolarHBondContact O-N 2.83Å
56T86.3Confident85.2Confident67 Ų6791.7 Ų91.741%0.41150%0.504SS..Hα-helixtrans-66.7-37.9175.750.40000112.2I52 L53 G60I52-T56 HydrophobicContact CG2-CG2 4.45Å; I52-T56 WeakPolarHBondContact O-CB 3.21Å; I52-T56 WeakPolarHBondContact O-CG2 3.25Å; I52-T56 PolarHBondContact O-N 3.36Å; I52-T56 PolarHBondContact O-OG1 3.5Å; L53-T56 PolarHBondContact O-OG1 2.92Å; T56-G60 PolarHBondContact O-N 3.26Å
57G90.1Very high86.5Confident36 Ų3688 Ų8837%0.37150%0.498SS..Hα-helixtrans-62.5-45.9172.100000113L53 V54 G60 L61L53-G57 PolarHBondContact O-N 2.91Å; V54-G57 PolarHBondContact O-N 3.12Å; G57-G60 PolarHBondContact O-N 3.47Å; G57-L61 WeakPolarHBondContact O-CB 3.27Å; G57-L61 WeakPolarHBondContact O-CG 3.29Å; G57-L61 PolarHBondContact O-N 2.85Å
58A88.8Confident87.7Confident55 Ų5585 Ų8546%0.45550%0.499SS..Hα-helixtrans-64.7-41.217700000112.1V54 G55 L61 L62V54-A58 VanDerWaalsContact O-CB 3.24Å; V54-A58 WeakPolarHBondContact O-CB 3.44Å; V54-A58 PolarHBondContact O-N 3.46Å; G55-A58 PolarHBondContact O-N 2.7Å; A58-L61 PolarHBondContact O-N 2.96Å; A58-L62 WeakPolarHBondContact O-CB 3.49Å; A58-L62 PolarHBondContact O-N 3.49Å
59L89.9Confident88Confident103 Ų10389.9 Ų89.954%0.53951%0.51SS..Hα-helixtrans-64.5-41.7174.9-17365.5000111.6G55 L62 L63G55-L59 WeakPolarHBondContact O-CB 3.15Å; G55-L59 PolarHBondContact O-N 2.83Å; L59-L62 PolarHBondContact O-N 2.87Å; L59-L63 HydrophobicContact CD1-CD1 4.22Å; L59-L63 HydrophobicContact CG-CD1 4.32Å; L59-L63 WeakPolarHBondContact O-CD1 3.43Å; L59-L63 PolarHBondContact O-N 2.88Å
60G93.1Very high88.4Confident43 Ų4389.3 Ų89.344%0.44350%0.504SS..Hα-helixtrans-63.2-42.3174.500000113T56 G57 L63 L64T56-G60 PolarHBondContact O-N 3.26Å; G57-G60 PolarHBondContact O-N 3.47Å; G60-L63 PolarHBondContact O-N 2.89Å; G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 PolarHBondContact O-N 3.32Å
61L92.8Very high88.5Confident100 Ų10089.6 Ų89.652%0.52451%0.505SS..Hα-helixtrans-63.7-41.6172.9-73.8169.4000111.7G57 A58 L64 F65G57-L61 WeakPolarHBondContact O-CB 3.27Å; G57-L61 WeakPolarHBondContact O-CG 3.29Å; G57-L61 PolarHBondContact O-N 2.85Å; A58-L61 PolarHBondContact O-N 2.96Å; L61-L64 PolarHBondContact O-N 3.24Å; L61-F65 WeakPolarHBondContact O-CD2 3.49Å; L61-F65 PolarHBondContact O-N 2.94Å
62L92.1Very high88.3Confident95 Ų9589.6 Ų89.650%0.49751%0.511SS..Hα-helixtrans-61.9-44.5176.5-178.562000111.6A58 L59 L64 F65 L66A58-L62 WeakPolarHBondContact O-CB 3.49Å; A58-L62 PolarHBondContact O-N 3.49Å; L59-L62 PolarHBondContact O-N 2.87Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.5Å; L62-F65 PolarHBondContact O-N 2.89Å; L62-L66 HydrophobicContact CD1-CD1 4.41Å; L62-L66 HydrophobicContact CD1-CG 4.49Å; L62-L66 HydrophobicContact CG-CD1 4.14Å; L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 VanDerWaalsContact O-CG 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.5Å; L62-L66 PolarHBondContact O-N 3.06Å
63L93.5Very high88.1Confident106 Ų10691 Ų9156%0.55553%0.529SS*.Hα-helixtrans-60.8-41.8172.9-97.773.8000112L59 G60 L66 L67L59-L63 HydrophobicContact CD1-CD1 4.22Å; L59-L63 HydrophobicContact CG-CD1 4.32Å; L59-L63 WeakPolarHBondContact O-CD1 3.43Å; L59-L63 PolarHBondContact O-N 2.88Å; G60-L63 PolarHBondContact O-N 2.89Å; L63-L66 PolarHBondContact O-N 3.38Å; L63-L67 WeakPolarHBondContact O-CB 3.33Å; L63-L67 PolarHBondContact O-N 2.87Å
64L93.3Very high87.7Confident113 Ų11388.2 Ų88.259%0.59252%0.524SS*.Hα-helixtrans-64.6-41.5178.1-174.364.1000111.9G60 L61 L62 G68G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 PolarHBondContact O-N 3.32Å; L61-L64 PolarHBondContact O-N 3.24Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.5Å; L64-G68 PolarHBondContact O-N 3.49Å
65F91.4Very high86.9Confident134 Ų13486.8 Ų86.859%0.58852%0.517SS*.Hα-helixtrans-63-48172.5-82-63.8000111.6L61 L62 L67 G68 Y69L61-F65 WeakPolarHBondContact O-CD2 3.49Å; L61-F65 PolarHBondContact O-N 2.94Å; L62-F65 PolarHBondContact O-N 2.89Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.41Å; F65-G68 PolarHBondContact O-N 2.74Å; F65-Y69 HydrophobicContact CD1-CE2 4.46Å; F65-Y69 WeakPolarHBondContact O-CB 3.35Å; F65-Y69 VanDerWaalsContact O-CD2 3.29Å; F65-Y69 WeakPolarHBondContact O-CD2 3.33Å; F65-Y69 PolarHBondContact O-N 3.08Å
66L91Very high85.7Confident112 Ų11287.3 Ų87.359%0.58652%0.518SS*.Hα-helixtrans-59.9-41.9178.6-72.7168.8000112.1L62 L63 G70L62-L66 HydrophobicContact CD1-CD1 4.41Å; L62-L66 HydrophobicContact CD1-CG 4.49Å; L62-L66 HydrophobicContact CG-CD1 4.14Å; L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 VanDerWaalsContact O-CG 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.5Å; L62-L66 PolarHBondContact O-N 3.06Å; L63-L66 PolarHBondContact O-N 3.38Å; L66-G70 PolarHBondContact O-N 2.84Å
67L91.9Very high84.4Confident113 Ų11386.4 Ų86.459%0.59252%0.522SS*.Hα-helixtrans-64.7-43.6175-176.660.7000111.7L63 F65 G70 W71L63-L67 WeakPolarHBondContact O-CB 3.33Å; L63-L67 PolarHBondContact O-N 2.87Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.41Å; L67-G70 PolarHBondContact O-N 3.49Å; L67-W71 PolarHBondContact O-N 2.93Å
68G89.6Confident82.8Confident41 Ų4188.2 Ų88.242%0.42353%0.533SS..Hα-helixtrans-62-45.3175.600000113.2L64 F65 W71 A72L64-G68 PolarHBondContact O-N 3.49Å; F65-G68 PolarHBondContact O-N 2.74Å; G68-W71 PolarHBondContact O-N 2.82Å; G68-A72 WeakPolarHBondContact O-CB 3.48Å; G68-A72 PolarHBondContact O-N 3.06Å
69Y85.5Confident81.3Confident171 Ų17195.4 Ų95.467%0.67155%0.549SS*.Hα-helixtrans-64.6-40.1174.6-87.5-73.3000112.1F65 A72 A73F65-Y69 HydrophobicContact CD1-CE2 4.46Å; F65-Y69 WeakPolarHBondContact O-CB 3.35Å; F65-Y69 VanDerWaalsContact O-CD2 3.29Å; F65-Y69 WeakPolarHBondContact O-CD2 3.33Å; F65-Y69 PolarHBondContact O-N 3.08Å; Y69-A72 PolarHBondContact O-N 3.49Å; Y69-A73 WeakPolarHBondContact O-CB 3.49Å; Y69-A73 PolarHBondContact O-N 3.13Å
70G85.9Confident79.7Confident41 Ų4199 Ų9942%0.42356%0.56SS.*Hα-helixtrans-61-46.617400000112.7L66 L67 A73 A74L66-G70 PolarHBondContact O-N 2.84Å; L67-G70 PolarHBondContact O-N 3.49Å; G70-A73 PolarHBondContact O-N 3.1Å; G70-A74 WeakPolarHBondContact O-CB 3.41Å; G70-A74 PolarHBondContact O-N 3.15Å
71W84.6Confident77.9Confident191 Ų191106.5 Ų106.572%0.72358%0.58SS**Hα-helixtrans-63.3-41.2173.5-98.637.3000112.7L67 G68 A74 C75L67-W71 PolarHBondContact O-N 2.93Å; G68-W71 PolarHBondContact O-N 2.82Å; W71-A74 PolarHBondContact O-N 3.39Å; W71-C75 VanDerWaalsContact O-CB 3.27Å; W71-C75 WeakPolarHBondContact O-CB 3.36Å; W71-C75 PolarHBondContact O-N 3.49Å; W71-C75 PolarHBondContact O-SG 2.99Å
72A80.8Confident76Confident56 Ų56112.9 Ų112.946%0.46360%0.597SS.*Hα-helixtrans-62.9-44.1176.700000111.7G68 Y69 C75 A76G68-A72 WeakPolarHBondContact O-CB 3.48Å; G68-A72 PolarHBondContact O-N 3.06Å; Y69-A72 PolarHBondContact O-N 3.49Å; A72-C75 PolarHBondContact O-N 2.89Å; A72-A76 VanDerWaalsContact O-CB 3.26Å; A72-A76 WeakPolarHBondContact O-CB 3.38Å; A72-A76 PolarHBondContact O-N 3.32Å
73A74.4Confident73.9Confident68 Ų68119.3 Ų119.356%0.56262%0.615SS**Hα-helixtrans-62.2-47.2176.600000112Y69 G70 A76 G77Y69-A73 WeakPolarHBondContact O-CB 3.49Å; Y69-A73 PolarHBondContact O-N 3.13Å; G70-A73 PolarHBondContact O-N 3.1Å; A73-A76 PolarHBondContact O-N 3.26Å; A73-G77 PolarHBondContact O-N 2.93Å
74A72.4Confident71.7Confident69 Ų69119.4 Ų119.457%0.5762%0.624SS**Hα-helixtrans-60.5-46176.200000112G70 W71 A76 G77 A78G70-A74 WeakPolarHBondContact O-CB 3.41Å; G70-A74 PolarHBondContact O-N 3.15Å; W71-A74 PolarHBondContact O-N 3.39Å; A74-A76 PolarHBondContact O-N 2.91Å; A74-G77 PolarHBondContact O-N 3.17Å; A74-A78 PolarHBondContact O-N 2.92Å
75C70.6Confident69.6Low67 Ų67119.5 Ų119.545%0.45363%0.632SS.*Hα-helixtrans-65.6-35.6177.5-720000113.1W71 A72 R79W71-C75 VanDerWaalsContact O-CB 3.27Å; W71-C75 WeakPolarHBondContact O-CB 3.36Å; W71-C75 PolarHBondContact O-N 3.49Å; W71-C75 PolarHBondContact O-SG 2.99Å; A72-C75 PolarHBondContact O-N 2.89Å; C75-R79 WeakPolarHBondContact O-CG 3.3Å; C75-R79 PolarHBondContact O-N 3.14Å
76A62.6Low67.4Low52 Ų52119 Ų11943%0.4364%0.642SS.*Hα-helixtrans-68.1-39.6176.600000112A72 A73 A74 A78 R79 K80A72-A76 VanDerWaalsContact O-CB 3.26Å; A72-A76 WeakPolarHBondContact O-CB 3.38Å; A72-A76 PolarHBondContact O-N 3.32Å; A73-A76 PolarHBondContact O-N 3.26Å; A74-A76 PolarHBondContact O-N 2.91Å; A76-A78 PolarHBondContact O-N 3.49Å; A76-R79 PolarHBondContact O-N 3.4Å; A76-K80 PolarHBondContact O-N 3.27Å
77G57.6Low64.8Low49 Ų49125.4 Ų125.451%0.50566%0.659SS.*Hα-helixtrans-59-45.3174.700000112.7A73 A74 R79A73-G77 PolarHBondContact O-N 2.93Å; A74-G77 PolarHBondContact O-N 3.17Å; G77-R79 VanDerWaalsContact C-N 3.32Å; G77-R79 PolarHBondContact O-N 3.43Å
78A57Low62.3Low73 Ų73130 Ų13060%0.60367%0.673SS**Hα-helixtrans-62-35.1179.800000113.7A74 A76A74-A78 PolarHBondContact O-N 2.92Å; A76-A78 PolarHBondContact O-N 3.49Å
79R57.6Low60Low207 Ų207138.5 Ų138.578%0.78169%0.693SS**Hα-helixtrans-80.4-27.6-174.6-68.3179.6-172.9-110.32.5114C75 A76 G77 K81C75-R79 WeakPolarHBondContact O-CG 3.3Å; C75-R79 PolarHBondContact O-N 3.14Å; A76-R79 PolarHBondContact O-N 3.4Å; G77-R79 VanDerWaalsContact C-N 3.32Å; G77-R79 PolarHBondContact O-N 3.43Å; R79-K81 VanDerWaalsContact C-N 3.28Å; R79-K81 PolarHBondContact O-N 2.89Å
80K56.2Low57.6Low179 Ų179139.2 Ų139.278%0.77870%0.702SS**Hα-helixtrans-66.2-25.8-179.8-74.5-177.5177.6179.70113.6A76 R82A76-K80 PolarHBondContact O-N 3.27Å; K80-R82 PolarHBondContact O-N 2.95Å
81K54.9Low55.1Low200 Ų200145.1 Ų145.187%0.8772%0.719SS**THydrogen-bonded Turntrans-762.8-177.1-127.9171.2-173.1175.10115.5R79R79-K81 VanDerWaalsContact C-N 3.28Å; R79-K81 PolarHBondContact O-N 2.89Å
82R53.3Low52.9Low233 Ų233141 Ų14188%0.87973%0.725SS**THydrogen-bonded Turntrans-117.926.7179-72.8-171.5178.3-106.24.5114.7K80K80-R82 PolarHBondContact O-N 2.95Å
83R48.5Very low50.6Low231 Ų231142.9 Ų142.987%0.87274%0.741SS**  trans-123.595.3164.5-72-173.2177.7177.3-0.6109.9
84S45.7Very low48.6Very low107 Ų107144.6 Ų144.675%0.74876%0.755SS**PPolyproline II helixtrans-62.6141.5168.448.60000110.3
85P50.4Low47Very low115 Ų115145.5 Ų145.575%0.74776%0.763SS**PPolyproline II helixtrans-62.8145.5175.927.7-34.7000110.6R87P85-R87 PolarHBondContact O-N 3.27Å
86P44.2Very low45.6Very low124 Ų124148.3 Ų148.381%0.80578%0.78SS**PPolyproline II helixtrans-64.4130.2174.927.4-33.3000109.7K88P86-K88 PolarHBondContact O-N 3.25Å
87R38.1Very low44.1Very low247 Ų247150.6 Ų150.693%0.93280%0.799SS**PPolyproline II helixtrans-57.7121.4168.2-83179.3157.4122-7.1108.4P85 R89P85-R87 PolarHBondContact O-N 3.27Å; R87-R89 PolarHBondContact O-N 3.17Å
88K38.2Very low42.9Very low208 Ų208153.5 Ų153.590%0.90482%0.818SS**PPolyproline II helixtrans-58.9127.5157.8-80.6-167.2173.3-172.20107.3P86 E90P86-K88 PolarHBondContact O-N 3.25Å; K88-E90 PolarHBondContact O-N 2.76Å
89R41.3Very low42Very low221 Ų221154.5 Ų154.583%0.83483%0.827SS**PPolyproline II helixtrans-78.3116.5167.4-179.8175178.6154.4-2.4106.8R87R87-R89 PolarHBondContact O-N 3.17Å
90E34.9Very low41.4Very low185 Ų185149.7 Ų149.786%0.86482%0.822SS**PPolyproline II helixtrans-73.1124.9169.1-170.8171.6-173.700107.8K88K88-E90 PolarHBondContact O-N 2.76Å
91E33Very low40.3Very low165 Ų165148.1 Ų148.177%0.77182%0.822SS**  trans-117.6108.9175.8-170.5160.9134.200107.9
92A38.5Very low39.3Very low104 Ų104145.8 Ų145.886%0.8682%0.82SS**  trans-83.8116.6-176.300000110.3
93A33.7Very low38.6Very low97 Ų97142.8 Ų142.880%0.80282%0.82SS**  trans-127.4134.2170.900000109.8
94A32Very low37.9Very low103 Ų103135.2 Ų135.285%0.85181%0.807SS**  trans-53.1147.8-162.400000117.7
95A38.1Very low37.6Very low89 Ų89138 Ų13874%0.73681%0.813SS**  trans-81.1169151.900000110.2
96P42.5Very low37Very low125 Ų125138.2 Ų138.281%0.81281%0.807SS**  -148.1151.796.137.9-22000117.5
97A30.6Very low36.6Very low101 Ų101140.5 Ų140.584%0.83580%0.804SS**  trans56.5107.5141.100000122.4
98A32.3Very low36.3Very low109 Ų109136.3 Ų136.390%0.90180%0.8SS**  -146.8156128.100000108.9
99A37.8Very low36.1Very low94 Ų94134.8 Ų134.878%0.77780%0.801SS**  trans-162.7177.5-17400000110
100P44.3Very low35.6Very low107 Ų107135.5 Ų135.570%0.69580%0.804SS**  cis-125.6-144.6-1628.2-3.6000111.4
101D34Very low35.4Very low145 Ų145131.8 Ų131.878%0.77580%0.798SS**  trans88.388160.4-53.7-19.5000118.6
102D34.4Very low35.2Very low152 Ų152132.3 Ų132.381%0.81380%0.801SS**  -172.612991.8-137.6-23.1000111.7
103L37.1Very low34.8Very low169 Ų169134.7 Ų134.789%0.88579%0.794SS**  trans-150.257.6-178.9-150.5170.4000111.8
104A35.3Very low34.9Very low73 Ų73138.4 Ų138.460%0.60380%0.795SS**  trans-12124.4-167.900000116
105L39.2Very low35.1Very low165 Ų165141.7 Ų141.786%0.86479%0.79SS**  trans-133.465.6171.5-122163.4000111.1
106L37.2Very low35.3Very low119 Ų119145.5 Ų145.562%0.62379%0.79SS**  43.785.299.1-83.5138.8000111.8
107K35.6Very low35.1Very low173 Ų173148.3 Ų148.375%0.75279%0.789SS**  55.1105.990-60.9164.6-179.5170.20112.6
108N33.5Very low35.4Very low158 Ų158151.3 Ų151.385%0.84579%0.791SS**  179.584.2126.9-100-53.3000112.3
109L33.8Very low35.5Very low176 Ų176156.9 Ų156.992%0.92179%0.789SS**SBendtrans-155.968153.1-114.8159.9000112.1
110R29.3Very low35.4Very low237 Ų237161.6 Ų161.689%0.89479%0.792SS**  trans55.293.4148.8-136.8172.5-156.6134.85.2117.7
111S31.4Very low35.2Very low107 Ų107164.1 Ų164.175%0.74879%0.792SS**  trans-55.5166150.549.20000113.2
112E28.2Very low35.5Very low176 Ų176163.5 Ų163.582%0.82279%0.788SS**  trans122.1150.6134.6-139.9-168.6167.300118.7
113E31.1Very low35.4Very low154 Ų154160.2 Ų160.272%0.7278%0.777SS**  trans64.9110.6162.6-99.2-161.8142.400121.4
114Q35.6Very low35Very low174 Ų174159 Ų15981%0.81377%0.767SS**  trans-78148.6155-49.5174.7-40.500110.2
115K36.1Very low35Very low172 Ų172163.9 Ų163.975%0.74877%0.774SS**  trans75.8140.3140.3-151.1179.4-172.8170.10117.6
116K42.8Very low35.3Very low169 Ų169161.9 Ų161.974%0.73577%0.771SS**  trans74.4111.3169.5-39.6167.8-170.8165.90116.2
117K37.6Very low35.7Very low184 Ų184164.4 Ų164.480%0.878%0.777SS**  174150.2105.7-83.1141.4-158.1158.10109.7
118N37.2Very low35.9Very low165 Ų165161.7 Ų161.788%0.88278%0.777SS**  trans-102.3163.9177.3-84-67.2000111.1
119R33.4Very low35.8Very low225 Ų225161 Ų16185%0.84977%0.774SS**  119.2128124.5-159.7174.7-170.6-154.91.6119.6
120K36.9Very low35.7Very low194 Ų194156 Ų15684%0.84376%0.764SS**  trans-111.6153.1140-99.2-176.4-179.1-178.80107.6
121K40.5Very low35.6Very low160 Ų160156.4 Ų156.470%0.69677%0.766SS**  cis64.599.123.8-86.4-137.2172-172.30114.1
122L39.3Very low35.5Very low131 Ų131156.7 Ų156.769%0.68676%0.763SS**  cis-155.9156.26.6-80174.9000109.1
123S31.8Very low35.5Very low84 Ų84153.9 Ų153.959%0.58776%0.757SS**  cis-150.9-110.9-28.132.30000109.8
124E29.1Very low35.5Very low143 Ų143154.5 Ų154.567%0.66876%0.76SS**  cis-149.7-138-19.5-157.441.8-85.900112.1
125K36.5Very low35.2Very low175 Ų175153.7 Ų153.776%0.76176%0.761SS**  trans-160.3171.8-155.5-96.3177.4-174.2177.20111.8
126P43.4Very low34.9Very low124 Ų124149.2 Ų149.281%0.80576%0.756SS**  cis-132.3-175.424.341.5-23.4000117.7
127K46.4Very low34.1Very low171 Ų171150.9 Ų150.974%0.74377%0.766SS**  trans-96.1165.4178.1-69.1-173.7174.8-172.20112.5
128P41Very low33.8Very low116 Ų116145.5 Ų145.575%0.75376%0.763SS**  -102.6139.4119.136-34000109.5
129N30.4Very low33.4Very low145 Ų145146.7 Ų146.778%0.77576%0.764SS**  59.6114.154.3-59.9-6.1000110.9
130G31Very low33.4Very low69 Ų69140.2 Ų140.271%0.71176%0.758SS**  cis115.5132.7-1.900000112.8
131R28.4Very low33.1Very low247 Ų247136.5 Ų136.593%0.93275%0.751SS**  trans74.5150.6-174.9-139.3166-175.6168.41111
132T28.4Very low32.5Very low112 Ų112139.2 Ų139.269%0.68776%0.757SS**  -179.4135.568.1-80.10000113.2
133V29.5Very low32.1Very low117 Ų117138.7 Ų138.771%0.70976%0.76SS**  trans67.1135.4153.1159.30000118.5
134E29.4Very low32.6Very low167 Ų167140.1 Ų140.178%0.7877%0.767SS**  cis89.7154.244.3-90.4-80.4-165.400114.5
135L30Very low32.4Very low157 Ų157142.1 Ų142.182%0.82278%0.776SS**  trans83143-158-76.590.3000115.8
136A30.5Very low32Very low79 Ų79138.2 Ų138.265%0.65377%0.771SS**  cis-157.6144.6-17.100000112.3
137E25.9Very low31.6Very low203 Ų203138.6 Ų138.695%0.94977%0.771SS**  20.3140.7129.1-163.8170.1-151.600122.1
138G31.2Very low31Very low71 Ų71136.7 Ų136.773%0.73277%0.774SS**  trans129.2127.617100000112.3
139E29.3Very low30.4Very low191 Ų191135 Ų13589%0.89377%0.769SS**  cis-160.4-179.7-6.5-148.8-158.4107.700110.4
140A32.2Very low30.4Very low88 Ų88138.3 Ų138.373%0.72778%0.776SS**  trans71.9139.5162.500000120
141V30.4Very low30.2Very low117 Ų117143.6 Ų143.671%0.70978%0.783SS**  trans-137135.3-169.8165.10000111
142R29.7Very low31.6Very low216 Ų216136.4 Ų136.482%0.81577%0.768SS**  trans61.8115.8161.7-77.3175.8171.697.7-2120.4
143T29.3Very low32.6Very low121 Ų121136.3 Ų136.374%0.74277%0.769SS**  22.8136.8114.9600000118.8
144P42.7Very low32.8Very low113 Ų113139.9 Ų139.973%0.73478%0.778SS**  -152.2167.47041.5-23.5000118.7
145Q25.4Very low33.2Very low186 Ų186139 Ų13987%0.86978%0.777SS**  trans52.1147.4147.5-74.2-176.1-17.600121.3
146S28.2Very low33.2Very low93 Ų93139 Ų13965%0.6578%0.779SS**  cis-172.7169.1-10.155.20000111.4
147V35.4Very low33.9Very low131 Ų131144.7 Ų144.779%0.79479%0.788SS**  trans69.8140.6166.7-174.80000114
148T32Very low34.4Very low132 Ų132143.3 Ų143.381%0.8178%0.779SS**  cis-140.3168.316.215.50000109.6
149A29.7Very low34.5Very low79 Ų79145.8 Ų145.865%0.65378%0.776SS**  cis-179.5160-30.600000112.1
150K29.6Very low34.6Very low215 Ų215142.6 Ų142.694%0.93576%0.761SS**  trans78.4161158.9-73.8-175.6178.1-175.20120.7
151Q27.7Very low34.8Very low181 Ų181146.6 Ų146.685%0.84676%0.762SS**  trans-150.1-151.9-150.1-155.5-151.5-7.200110.2
152P57.2Low35.3Very low96 Ų96146.1 Ų146.162%0.62376%0.764SS**  trans-105.8-151.9-134.140.5-17.9000112.3
153P48.9Very low35.9Very low110 Ų110145.7 Ų145.771%0.71477%0.768SS**  -150.5172.765.743.6-23.8000117.5
154E34.1Very low36.6Very low191 Ų191148.6 Ų148.689%0.89377%0.77SS**  trans-74168.3154.3-65175.4112.900110.7
155I37.3Very low36.5Very low149 Ų149149.3 Ų149.376%0.76477%0.768SS**  trans-132.3103.9174.4-45.7178.1000111.4
156D29.7Very low37.1Very low158 Ų158149.4 Ų149.485%0.84577%0.765SS**  trans-60.2139.8166.4-97.3-53.7000112.5
157K46.5Very low37.6Very low197 Ų197153.6 Ų153.686%0.85777%0.772SS**  trans-12060.8162.4-74.6-166.9175.2179.60112.6
158K35.5Very low37.9Very low174 Ų174156.3 Ų156.376%0.75777%0.773SS**  25.4117.8128.9-174.7-179.9-178.2178.70117.7
159N33.8Very low38.5Very low124 Ų124155.4 Ų155.466%0.66377%0.772SS**  trans63.2166.4159.992.8-2.8000117
160E30.9Very low38.8Very low123 Ų123161.3 Ų161.358%0.57578%0.783SS**  cis-145.2172.28.1-150.8178.4121.300112.2
161K37Very low39.4Very low172 Ų172156.3 Ų156.375%0.74878%0.775SS**  trans10.8145.6155.9-75.8172.4-160.2144.40120.1
162S41.6Very low39.6Very low108 Ų108155.5 Ų155.576%0.75578%0.777SS**  cis-175.9179.6-1.452.50000112.1K164S162-K164 PolarHBondContact O-N 3.31Å
163K42.4Very low38.8Very low206 Ų206154.8 Ų154.890%0.89678%0.779SS**  trans-56.8126179-62.5167178.9169.40114.3
164K42.3Very low38.4Very low183 Ų183160 Ų16080%0.79679%0.79SS**  trans-136.9104.8141.6-112.3-164.3174.31770106.9S162S162-K164 PolarHBondContact O-N 3.31Å
165N41.3Very low38.4Very low128 Ų128155.3 Ų155.368%0.68479%0.785SS**  69.514192.794.5-36.9000112.8
166K37.7Very low38Very low187 Ų187155.2 Ų155.281%0.81379%0.79SS**  cis-165.6107.9-15.6164.7-177.8173.8-175.60108.4
167K38.8Very low38.3Very low182 Ų182155.5 Ų155.579%0.79179%0.787SS**  trans43.195.1135.2179.8174.1178.1173.30117.6
168K42.9Very low37.6Very low187 Ų187152.8 Ų152.881%0.81378%0.782SS**  178.8134.8109.1-103.5169.6-179.5-177.70113
169S43.1Very low37.5Very low113 Ų113150 Ų15079%0.7978%0.784SS**  trans-86.6144.6140.949.20000109.1
170K36.8Very low37.6Very low203 Ų203149.3 Ų149.388%0.88379%0.789SS**  trans-160.2141.9140.8-124.2-169.6178.7-163.60109.9
171S43Very low37.8Very low111 Ų111154.1 Ų154.178%0.77680%0.802SS**  trans-76.5151.7171.450.70000111.6
172D30.9Very low37.9Very low163 Ų163155 Ų15587%0.87281%0.808SS**  -145.4167.1128.1-163-124.2000109.4
173A40.9Very low37.7Very low81 Ų81156.6 Ų156.667%0.66981%0.808SS**  trans-130.8137.2-169.800000113.1
174K39.1Very low37.5Very low219 Ų219149.6 Ų149.695%0.95279%0.794SS**  trans-151.2148.7151.6-115.6165.6-173.2176.20110.9
175A34.2Very low37.3Very low94 Ų94149.3 Ų149.378%0.77779%0.793SS**  trans-105.9147-164.500000113.2
176V30.3Very low37.4Very low146 Ų146151.6 Ų151.689%0.88580%0.8SS**  trans-135.8141.5148.9179.90000106.4
177Q34.9Very low37.8Very low164 Ų164147.5 Ų147.577%0.76679%0.79SS**  trans-82.6169.9-176.5-69.4-172-78.200113.5
178N32.1Very low38.7Very low141 Ų141145.5 Ų145.575%0.75479%0.788SS**  trans70.497.7158-58.4-21.4000117.6
179S33.1Very low39Very low116 Ų116144.8 Ų144.881%0.81179%0.788SS**  -177162.111046.30000114.5
180S36.9Very low39.3Very low108 Ų108142.3 Ų142.376%0.75578%0.78SS**  trans106.3146.5156.882.10000118.8
181R34.3Very low39.8Very low225 Ų225136.1 Ų136.185%0.84977%0.767SS**  trans70.970.3174.7-56.3-179-176.4-94.8-2.3116.9
182H40.2Very low39.7Very low191 Ų191142.5 Ų142.588%0.88477%0.774SS**  trans-83.994140.5-171.7-70.7000107.9
183D35.8Very low40.5Very low141 Ų141143 Ų14375%0.75477%0.771SS**  trans-132.6134.3170.5-174.424.8000108.2
184G39.7Very low41.6Very low59 Ų59144.3 Ų144.361%0.60877%0.771SS**  trans154.946.1-154.100000110.9E186G184-E186 PolarHBondContact O-N 3.4Å
185K37.4Very low42.8Very low176 Ų176143.8 Ų143.877%0.76577%0.769SS**  trans-78.798.6-172.5-173.1178.4-178.7-61.60110.2
186E44.5Very low44.5Very low177 Ų177142.1 Ų142.183%0.82775%0.746SS**  trans-62.6146.1167.663.1-161.9144.100110.9G184 D188G184-E186 PolarHBondContact O-N 3.4Å; E186-D188 PolarHBondContact O-N 3.35Å
187V46Very low46.8Very low101 Ų101137.8 Ų137.861%0.61272%0.722SS**  trans-94.284.1-172.8-1800000108.4E189V187-E189 VanDerWaalsContact C-N 3.32Å; V187-E189 HydrophobicContact CG1-CB 3.97Å; V187-E189 VanDerWaalsContact CG1-CD 3.49Å; V187-E189 HydrophobicContact CG1-CG 3.56Å; V187-E189 WeakPolarHBondContact CG1-OE1 3.31Å; V187-E189 PolarHBondContact O-N 2.91Å; V187-E189 VanDerWaalsContact O-N 3.08Å
188D56.1Low49Very low140 Ų140138.3 Ų138.375%0.74972%0.724SS**  trans-69.791.1161.7179.731.6000109E186E186-D188 PolarHBondContact O-N 3.35Å
189E49.8Very low51.3Low171 Ų171141.5 Ų141.580%0.79973%0.726SS**  trans-126.6114.8172.8-82.2-179.2-156.100109.6V187V187-E189 VanDerWaalsContact C-N 3.32Å; V187-E189 HydrophobicContact CG1-CB 3.97Å; V187-E189 VanDerWaalsContact CG1-CD 3.49Å; V187-E189 HydrophobicContact CG1-CG 3.56Å; V187-E189 WeakPolarHBondContact CG1-OE1 3.31Å; V187-E189 PolarHBondContact O-N 2.91Å; V187-E189 VanDerWaalsContact O-N 3.08Å
190G50.1Low53.8Low61 Ų61140.3 Ų140.363%0.62971%0.707SS**  trans142.8-18.7168.600000115.7W192G190-W192 VanDerWaalsContact C-N 3.34Å; G190-W192 PolarHBondContact O-N 3.14Å
191A46.4Very low56.1Low73 Ų73140.4 Ų140.460%0.60369%0.694SS**  trans-68.590172.600000110.6E193A191-E193 PolarHBondContact O-N 3.09Å
192W40.6Very low58.2Low246 Ų246138.5 Ų138.593%0.93269%0.687SS**  trans-68.881.6168.1-74.889.2000109.2G190 T194G190-W192 VanDerWaalsContact C-N 3.34Å; G190-W192 PolarHBondContact O-N 3.14Å; W192-T194 PolarHBondContact O-N 3.22Å
193E47.6Very low60.2Low174 Ų174134 Ų13481%0.81367%0.667SS**  trans-54.4103.4176-69.8-165.315700110A191 K195A191-E193 PolarHBondContact O-N 3.09Å; E193-K195 PolarHBondContact O-N 2.91Å
194T64Low62.3Low108 Ų108130.4 Ų130.466%0.66365%0.645SS**  trans-56.3130.6164.446.30000107.2W192 I196W192-T194 PolarHBondContact O-N 3.22Å; T194-I196 PolarHBondContact O-N 3.3Å
195K64.6Low63.9Low208 Ų208135.8 Ų135.890%0.90465%0.647SS**  trans-7963-178-73.2-179.4178.7169.40110.8E193 S197E193-K195 PolarHBondContact O-N 2.91Å; K195-S197 PolarHBondContact O-N 2.95Å; K195-S197 VanDerWaalsContact O-N 3.17Å
196I70.1Confident65.7Low58 Ų58133.9 Ų133.930%0.29764%0.638SS.*  trans-41.1118.1168.6-70.1173.6000107.5T194 E200 K201T194-I196 PolarHBondContact O-N 3.3Å; I196-E200 WeakPolarHBondContact CA-OE2 3.15Å; I196-E200 HydrophobicContact CG2-CB 3.89Å; I196-E200 HydrophobicContact CG2-CG 3.78Å; I196-K201 HydrophobicContact CG2-CB 4Å
197S78.6Confident67.2Low56 Ų56133.1 Ų133.139%0.39263%0.628SS.*  trans-65.4156.5-170.269.80000110.9K195 R199 E200 K201K195-S197 PolarHBondContact O-N 2.95Å; K195-S197 VanDerWaalsContact O-N 3.17Å; S197-R199 PolarHBondContact O-N 2.87Å; S197-R199 VanDerWaalsContact O-N 3.08Å; S197-E200 PolarHBondContact N-OE2 3.23Å; S197-E200 WeakPolarHBondContact O-CB 3.41Å; S197-E200 PolarHBondContact O-N 3.4Å; S197-E200 VanDerWaalsContact OG-CB 3.22Å; S197-E200 WeakPolarHBondContact OG-CB 3.4Å; S197-E200 PolarHBondContact OG-N 2.94Å; S197-E200 VanDerWaalsContact OG-N 3.13Å; S197-K201 PolarHBondContact O-N 2.9Å
198H80.8Confident68.3Low174 Ų174132.4 Ų132.481%0.80662%0.621SS**Hα-helixtrans-61.1-23.6177.8-134.188.3000112.6R202H198-R202 PolarHBondContact O-N 3.43Å
199R81.7Confident69.1Low209 Ų209130.9 Ų130.979%0.78961%0.608SS**Hα-helixtrans-70-47.3170.6-171.5178.6-173.1-176.42.2111.3S197 R202 Q203S197-R199 PolarHBondContact O-N 2.87Å; S197-R199 VanDerWaalsContact O-N 3.08Å; R199-R202 WeakPolarHBondContact O-CB 3.27Å; R199-R202 PolarHBondContact O-N 3.46Å; R199-Q203 WeakPolarHBondContact O-CG 3.41Å; R199-Q203 PolarHBondContact O-N 3.47Å; R199-Q203 VanDerWaalsContact O-N 3.14Å
200E83.9Confident69.4Low91 Ų91128.2 Ų128.243%0.42560%0.602SS.*Hα-helixtrans-68.8-42-178.9-171.5-175.2177.800112.6I196 S197 R202 Q203 Q204I196-E200 WeakPolarHBondContact CA-OE2 3.15Å; I196-E200 HydrophobicContact CG2-CB 3.89Å; I196-E200 HydrophobicContact CG2-CG 3.78Å; S197-E200 PolarHBondContact N-OE2 3.23Å; S197-E200 WeakPolarHBondContact O-CB 3.41Å; S197-E200 PolarHBondContact O-N 3.4Å; S197-E200 VanDerWaalsContact OG-CB 3.22Å; S197-E200 WeakPolarHBondContact OG-CB 3.4Å; S197-E200 PolarHBondContact OG-N 2.94Å; S197-E200 VanDerWaalsContact OG-N 3.13Å; E200-R202 PolarHBondContact O-N 2.92Å; E200-Q203 CarbonylContact O-C 3.57Å; E200-Q203 WeakPolarHBondContact O-CA 3.43Å; E200-Q203 WeakPolarHBondContact O-CB 3.41Å; E200-Q203 PolarHBondContact O-N 3Å; E200-Q204 PolarHBondContact O-N 3.12Å
201K85.8Confident69.4Low110 Ų110131.8 Ų131.848%0.47861%0.606SS.*Hα-helixtrans-62.8-24.5172.3-164.7159.3-171.7158.50112.5I196 S197 R205I196-K201 HydrophobicContact CG2-CB 4Å; S197-K201 PolarHBondContact O-N 2.9Å; K201-R205 WeakPolarHBondContact O-CD 3.18Å; K201-R205 WeakPolarHBondContact O-CG 3.22Å; K201-R205 PolarHBondContact O-N 2.82Å
202R78.6Confident69.6Low185 Ų185133.2 Ų133.270%0.69861%0.608SS**Hα-helixtrans-77.7-30169.7-162.9179.9-170.6-145.82.4112.5H198 R199 E200 K206H198-R202 PolarHBondContact O-N 3.43Å; R199-R202 WeakPolarHBondContact O-CB 3.27Å; R199-R202 PolarHBondContact O-N 3.46Å; E200-R202 PolarHBondContact O-N 2.92Å; R202-K206 PolarHBondContact O-N 2.91Å
203Q83Confident69.5Low97 Ų97127.2 Ų127.245%0.45359%0.594SS.*Hα-helixtrans-77.9-37.4175.6-62.9-69.157.300112.6R199 E200 K206 R207R199-Q203 WeakPolarHBondContact O-CG 3.41Å; R199-Q203 PolarHBondContact O-N 3.47Å; R199-Q203 VanDerWaalsContact O-N 3.14Å; E200-Q203 CarbonylContact O-C 3.57Å; E200-Q203 WeakPolarHBondContact O-CA 3.43Å; E200-Q203 WeakPolarHBondContact O-CB 3.41Å; E200-Q203 PolarHBondContact O-N 3Å; Q203-K206 WeakPolarHBondContact O-CB 3.29Å; Q203-K206 PolarHBondContact O-N 2.95Å; Q203-K206 VanDerWaalsContact O-N 3.16Å; Q203-R207 PolarHBondContact O-N 3.32Å; Q203-R207 VanDerWaalsContact O-N 3.1Å
204Q78.9Confident69.3Low64 Ų64123 Ų12330%0.29958%0.584SS.*Hα-helixtrans-54.1-58.9168.3-77.8176.7-38.600109.8E200 K206 R207 D208E200-Q204 PolarHBondContact O-N 3.12Å; Q204-K206 CarbonylContact O-C 3.57Å; Q204-K206 PolarHBondContact O-N 2.98Å; Q204-R207 WeakPolarHBondContact O-CA 3.46Å; Q204-R207 PolarHBondContact O-N 2.92Å; Q204-D208 VanDerWaalsContact C-CG 3.44Å; Q204-D208 PolarHBondContact O-N 3.39Å; Q204-D208 VanDerWaalsContact O-OD1 3.13Å; Q204-D208 VanDerWaalsContact O-OD2 3.05Å
205R74.2Confident67.9Low173 Ų173121.4 Ų121.465%0.65359%0.589SS**Hα-helixtrans-53.9-19.9176.2-72.9174.4172.1-177.7-4.6115.6K201 D208 K209K201-R205 WeakPolarHBondContact O-CD 3.18Å; K201-R205 WeakPolarHBondContact O-CG 3.22Å; K201-R205 PolarHBondContact O-N 2.82Å; R205-D208 PolarHBondContact N-OD2 3.36Å; R205-K209 WeakPolarHBondContact O-CB 3.29Å
206K73.9Confident67Low135 Ų135117.8 Ų117.859%0.58759%0.59SS**Hα-helixtrans-81.5-41.2170.3-85.1-167165.6-156.80112.8R202 Q203 Q204R202-K206 PolarHBondContact O-N 2.91Å; Q203-K206 WeakPolarHBondContact O-CB 3.29Å; Q203-K206 PolarHBondContact O-N 2.95Å; Q203-K206 VanDerWaalsContact O-N 3.16Å; Q204-K206 CarbonylContact O-C 3.57Å; Q204-K206 PolarHBondContact O-N 2.98Å
207R76.6Confident65.5Low162 Ų162122.8 Ų122.861%0.61162%0.616SS**Hα-helixtrans-69.7-45.4175-62-164.3-127.598.3-9.3111.6Q203 Q204 K209 V210 L211Q203-R207 PolarHBondContact O-N 3.32Å; Q203-R207 VanDerWaalsContact O-N 3.1Å; Q204-R207 WeakPolarHBondContact O-CA 3.46Å; Q204-R207 PolarHBondContact O-N 2.92Å; R207-K209 PolarHBondContact O-N 3.35Å; R207-V210 WeakPolarHBondContact O-CB 3.48Å; R207-V210 PolarHBondContact O-N 3.04Å; R207-L211 PolarHBondContact O-N 2.82Å
208D70.1Confident63.6Low85 Ų85126 Ų12646%0.45563%0.629SS.*Hα-helixtrans-62.1-30.6-177.3-46-25.1000111.6Q204 R205 T212Q204-D208 VanDerWaalsContact C-CG 3.44Å; Q204-D208 PolarHBondContact O-N 3.39Å; Q204-D208 VanDerWaalsContact O-OD1 3.13Å; Q204-D208 VanDerWaalsContact O-OD2 3.05Å; R205-D208 PolarHBondContact N-OD2 3.36Å; D208-T212 PolarHBondContact O-N 3.37Å; D208-T212 PolarHBondContact O-OG1 2.87Å
209K70.9Confident61.5Low109 Ų109123.5 Ų123.547%0.47463%0.631SS.*Hα-helixtrans-70.5-29.3175.7-170.370.9-152.674.80113.3R205 R207 T212 D213R205-K209 WeakPolarHBondContact O-CB 3.29Å; R207-K209 PolarHBondContact O-N 3.35Å; K209-T212 PolarHBondContact O-OG1 3.21Å; K209-D213 IonicContact NZ-OD1 3.75Å; K209-D213 PolarHBondContact NZ-OD1 3.37Å; K209-D213 IonicContact NZ-OD2 2.7Å; K209-D213 PolarHBondContact NZ-OD2 2.58Å
210V56.3Low59.3Low114 Ų114118.3 Ų118.369%0.69162%0.623SS**Hα-helixtrans-76.2-39175.1177.60000110.6R207 T212R207-V210 WeakPolarHBondContact O-CB 3.48Å; R207-V210 PolarHBondContact O-N 3.04Å; V210-T212 VanDerWaalsContact C-N 3.29Å; V210-T212 PolarHBondContact O-N 2.87Å
211L51.1Low57.2Low136 Ų136121.2 Ų121.271%0.71264%0.64SS**Hα-helixtrans-74.3-15.2-177.7-167.561.2000114.1R207 S214R207-L211 PolarHBondContact O-N 2.82Å; L211-S214 PolarHBondContact O-OG 3.36Å
212T50.3Low55.3Low103 Ų103121.5 Ų121.563%0.63265%0.653SS**THydrogen-bonded Turntrans-94.2-13.2-179.134.40000114.9D208 K209 V210D208-T212 PolarHBondContact O-N 3.37Å; D208-T212 PolarHBondContact O-OG1 2.87Å; K209-T212 PolarHBondContact O-OG1 3.21Å; V210-T212 VanDerWaalsContact C-N 3.29Å; V210-T212 PolarHBondContact O-N 2.87Å
213D38.6Very low53.1Low120 Ų120116.2 Ų116.264%0.64266%0.656SS**SBendtrans-97.6-6.3178.7-63.1-26.9000112.9K209 G215K209-D213 IonicContact NZ-OD1 3.75Å; K209-D213 PolarHBondContact NZ-OD1 3.37Å; K209-D213 IonicContact NZ-OD2 2.7Å; K209-D213 PolarHBondContact NZ-OD2 2.58Å; D213-G215 PolarHBondContact O-N 2.91Å
214S42.6Very low51.1Low85 Ų85119.7 Ų119.759%0.59468%0.676SS**SBendtrans-83.4101.8167.656.70000110.3L211L211-S214 PolarHBondContact O-OG 3.36Å
215G35.4Very low49.5Very low75 Ų75125.1 Ų125.177%0.77370%0.701SS**  trans-62.4132.1-16500000116.1D213 L217D213-G215 PolarHBondContact O-N 2.91Å; G215-L217 PolarHBondContact O-N 3.44Å
216S46.7Very low47.7Very low132 Ų132124.6 Ų124.692%0.92371%0.711SS**  trans-71.8112.4163.9165.90000109.9
217L37.2Very low46Very low163 Ų163123.9 Ų123.985%0.85372%0.718SS**  trans-126.1137.1170.8-125.8172.9000111.2G215G215-L217 PolarHBondContact O-N 3.44Å
218D38.2Very low44.1Very low125 Ų125124 Ų12467%0.66873%0.73SS**  trans-38.7149.2-179-1690.4000116.1T220D218-T220 PolarHBondContact OD1-OG1 3.48Å
219S36.7Very low42.3Very low121 Ų121124.9 Ų124.985%0.84674%0.738SS**  trans-154.2112.9163.8-78.90000110.3
220T36.6Very low40.4Very low99 Ų99125.5 Ų125.561%0.60775%0.751SS**  trans-119.1106.2-168.4-75.80000110.7D218D218-T220 PolarHBondContact OD1-OG1 3.48Å
221I40.3Very low39.2Very low153 Ų153125.5 Ų125.579%0.78575%0.751SS**  trans70.1152.1154.9-56.2170.4000115.5
222P46.1Very low38.4Very low115 Ų115124.8 Ų124.875%0.74775%0.753SS**  cis-126.1171.9-32.237.2-20.9000114.8
223G31.4Very low37.7Very low74 Ų74127.1 Ų127.176%0.76376%0.756SS**  trans43.5121.813400000123.5
224I40.3Very low37.5Very low170 Ų170129.1 Ų129.187%0.87276%0.762SS**  trans-141.6126.2131.133.6169.7000109.5
225E45.1Very low36.8Very low179 Ų179132.4 Ų132.484%0.83677%0.772SS**  trans-95.3142.1163.763.8-157.113800108.7
226N37.8Very low36.5Very low161 Ų161134.9 Ų134.986%0.86177%0.772SS**  trans-156116.2167.5-110.1-30.8000111.9
227T36.9Very low35.6Very low120 Ų120135.3 Ų135.374%0.73677%0.769SS**  trans-92.7129.5179.9-53.10000109.9T229T227-T229 HydrophobicContact CG2-CG2 4.27Å
228I38.2Very low35.2Very low166 Ų166131.9 Ų131.985%0.85176%0.764SS**  trans-133.2126.8154.6-56.9-177.4000109.2
229T32.3Very low34.8Very low102 Ų102131.6 Ų131.663%0.62677%0.772SS**  trans-119.8165.5171.452.70000108.2T227T227-T229 HydrophobicContact CG2-CG2 4.27Å
230V30.6Very low34.6Very low123 Ų123135.4 Ų135.475%0.74577%0.774SS**  trans71.2141148.9156.40000115.1
231T30.8Very low35.3Very low113 Ų113136.2 Ų136.269%0.69378%0.781SS**  cis-169.1169.8-5.727.40000111.2
232T33.2Very low34.9Very low122 Ų122135.8 Ų135.875%0.74879%0.785SS**  trans77113.8140.4-67.90000121.8
233E36.5Very low34.1Very low151 Ų151133.8 Ų133.871%0.70679%0.785SS**  trans-5.5162.7140.7-40-178.3178.400124.1
234Q33.6Very low34.5Very low162 Ų162136.5 Ų136.576%0.75779%0.793SS**  trans70.2140.6159.3-67.4172.664.600115.6
235L28.7Very low34.2Very low154 Ų154137.3 Ų137.381%0.80679%0.79SS**  cis-153.8156.243.3-171.968.2000113.8
236T29.2Very low33.8Very low128 Ų128137.7 Ų137.779%0.78579%0.789SS**  trans-80.8136.6175-51.30000113.6
237T28.2Very low33.9Very low140 Ų140136.7 Ų136.786%0.85978%0.783SS**  trans-171.8153.9150.1-83.90000111.1
238A29.1Very low33.9Very low91 Ų91140.7 Ų140.775%0.75279%0.791SS**  trans-115.1162.3-17400000114
239S28.3Very low33.5Very low120 Ų120135.6 Ų135.684%0.83978%0.779SS**  trans-169.7-176.9140.759.50000112.2
240F33.1Very low33.6Very low200 Ų200138.2 Ų138.288%0.87779%0.789SS**  trans-103.3167.4-160.8-82.2-85.7000114.5
241P52.2Low33.7Very low116 Ų116137.5 Ų137.575%0.75379%0.79SS**  trans-93.4168.2-161.437.2-37.7000115.8
242V31.1Very low33.8Very low145 Ų145140.2 Ų140.288%0.87979%0.794SS**  trans-125.3128.5167.8175.90000109.5
243G29.7Very low34.1Very low72 Ų72142.6 Ų142.674%0.74280%0.801SS**  trans-92.6156.7-174.300000115.4
244S38.6Very low33.9Very low132 Ų132142 Ų14292%0.92380%0.803SS**  trans-79.1153.7168.449.30000111.8
245K34.6Very low33.8Very low187 Ų187139.3 Ų139.381%0.81380%0.797SS**  trans-143.9143.1-162.6173.6179.4176.6177.10113
246K36.3Very low33.8Very low187 Ų187140.1 Ų140.181%0.81380%0.797SS**  trans72155.7-178.191-133.5178178.80112.6
247N41.6Very low33.9Very low139 Ų139139.9 Ų139.974%0.74380%0.795SS**  cis-161.1170.416.138-91.6000109.9
248K35.3Very low34.1Very low205 Ų205138 Ų13889%0.89179%0.788SS**  cis-174130.3-33176.1-178.5175.3-173.70107.2
249G31.2Very low34.2Very low59 Ų59139.3 Ų139.361%0.60878%0.782SS**  trans89.6154.7175.500000114.8
250D33.3Very low34.3Very low157 Ų157142 Ų14284%0.8478%0.779SS**  cis-156.4162.9-8.7-96.3-48.1000113.3
251S34.3Very low34.2Very low108 Ų108140.8 Ų140.876%0.75577%0.773SS**  trans44.496.8160.564.70000122.5
252H32.1Very low33.1Very low170 Ų170140.6 Ų140.679%0.78778%0.775SS**  61.7105.7106.3-165.1-84.2000121.9
253L39.4Very low33.2Very low172 Ų172137.2 Ų137.290%0.90177%0.769SS**  trans-150174132.1-96.3-173000110.4
254N31.9Very low33.2Very low137 Ų137142.9 Ų142.973%0.73377%0.773SS**  trans-136173.2-152.1-173.417.2000113.8
255V31.6Very low32.9Very low106 Ų106139.8 Ų139.864%0.64276%0.762SS**  trans78.2134.2168.6-170.20000114.2
256Q29.8Very low32.8Very low171 Ų171136.5 Ų136.580%0.79975%0.753SS**  cis-145.4135.4-5-121.3152.3-000105.6
257V30.2Very low32.7Very low124 Ų124132.2 Ų132.275%0.75275%0.747SS**  68.9113.364.1176.90000115.4
258S31.7Very low32.1Very low100 Ų100131.2 Ų131.270%0.69975%0.746SS**  trans74.9153.7157.786.30000118
259N31.1Very low32.1Very low119 Ų119128.9 Ų128.964%0.63674%0.743SS**  cis-170.5157.1-18.7-117.5-20.9000111.4
260F31.5Very low32.2Very low176 Ų176135.4 Ų135.477%0.77276%0.757SS**  trans62.4165.4148.4-66.7-34.7000119.4
261K31.6Very low32Very low174 Ų174133.7 Ų133.776%0.75775%0.752SS**  cis-173.5143.8-26.6171174.8170.6-1780111.8
262S29Very low31.8Very low113 Ų113133.7 Ų133.779%0.7975%0.752SS**  trans57.8146.6153.2710000124.5
263G31.7Very low31.8Very low73 Ų73131.1 Ų131.175%0.75375%0.753SS**  trans140.8109.1161.200000108.7
264K29.8Very low31.3Very low192 Ų192126.6 Ų126.684%0.83575%0.748SS**  cis74.712822.8-162.4167.7-174.6179.70115.8D266K264-D266 WeakPolarHBondContact CE-OD2 3.46Å; K264-D266 IonicContact NZ-OD2 2.7Å; K264-D266 PolarHBondContact NZ-OD2 2.98Å
265G33.4Very low31.4Very low66 Ų66127.6 Ų127.668%0.6875%0.752SS**  trans131.697.2-15800000105.6
266D32.8Very low31.5Very low119 Ų119128.9 Ų128.964%0.63676%0.756SS**  cis56.8128.236-86.3-45.2000112.4K264K264-D266 WeakPolarHBondContact CE-OD2 3.46Å; K264-D266 IonicContact NZ-OD2 2.7Å; K264-D266 PolarHBondContact NZ-OD2 2.98Å
267S33.3Very low31.7Very low97 Ų97129.4 Ų129.468%0.67876%0.758SS**  cis-171.6-170-9.8-126.30000110.8
268T30Very low32.1Very low118 Ų118130.4 Ų130.472%0.72476%0.76SS**  trans95.397151-43.70000119.9
269L35.5Very low32.2Very low156 Ų156132.9 Ų132.982%0.81776%0.764SS**  28.7133124.3-48.8173.7000120.7
270Q31.7Very low32.4Very low195 Ų195132.4 Ų132.491%0.91177%0.766SS**  -150.9151.8113.3-137.5176.16.600112.8
271V29.2Very low32.7Very low122 Ų122130.3 Ų130.374%0.73977%0.767SS**  trans-128134179.8168.50000108.6
272S30.7Very low33Very low108 Ų108129.3 Ų129.376%0.75577%0.77SS**  trans-175.6123139.4-84.40000113.9
273S31.5Very low33.2Very low115 Ų115127.4 Ų127.480%0.80477%0.768SS**  44.294.4127.2-49.10000120.5
274G30.5Very low33.5Very low77 Ų77127.6 Ų127.679%0.79477%0.77SS**  68.8122111.300000120.5
275L33.4Very low33.7Very low158 Ų158122.1 Ų122.183%0.82777%0.768SS**  trans-153.5148.4139.1-113.6167000110.5
276N32.8Very low33.8Very low134 Ų134130.4 Ų130.472%0.71778%0.779SS**  trans-104.8123.1179.752.1-73.8000110.2
277E34.4Very low34.1Very low181 Ų181131.4 Ų131.485%0.84678%0.784SS**  trans-167166.4151.442.6-165.118000113.2
278N37.8Very low34Very low146 Ų146136.4 Ų136.478%0.78180%0.797SS**  trans-101.3117.9-168.3-155.7-89.1000109.8
279L34.7Very low34.5Very low152 Ų152138.9 Ų138.980%0.79680%0.798SS**  trans-116.7104-178.8-130.876.3000112.4V281L279-V281 PolarHBondContact O-N 3.2Å; L279-V281 VanDerWaalsContact O-N 3.12Å
280T36.3Very low34.6Very low109 Ų109137.1 Ų137.167%0.66980%0.798SS**  trans-72.396.7178-55.10000111.5N282T280-N282 PolarHBondContact O-N 2.95Å
281V37Very low34.9Very low132 Ų132134.7 Ų134.780%0.880%0.796SS**  trans-81.485175.6-173.90000111L279L279-V281 PolarHBondContact O-N 3.2Å; L279-V281 VanDerWaalsContact O-N 3.12Å
282N37.8Very low35.3Very low152 Ų152138.3 Ų138.381%0.81380%0.802SS**  trans-86.1116.4158.3-89.3-74.4000109.2T280T280-N282 PolarHBondContact O-N 2.95Å
283G33.3Very low35.4Very low74 Ų74141.2 Ų141.276%0.76381%0.808SS**  trans176.397.9175.300000113.7
284G37.4Very low35.4Very low76 Ų76141.4 Ų141.478%0.78481%0.81SS**  trans-175.521.4-17800000116.5
285G33.7Very low35.6Very low77 Ų77143.1 Ų143.179%0.79481%0.81SS**  trans-84.8118.1-177.700000113.1
286W35.2Very low35.7Very low240 Ų240144.5 Ų144.591%0.90981%0.812SS**  trans-135.2129.1171.5-84.881.6000112.5
287N39.2Very low35.8Very low141 Ų141145.9 Ų145.975%0.75482%0.817SS**  trans62.691.1172.9104.7114.1000118
288E31.9Very low35.6Very low201 Ų201142.8 Ų142.894%0.93982%0.816SS**  trans-122.7145.4140.4-164.1168-134.400109
289K41.3Very low35.4Very low171 Ų171140.5 Ų140.574%0.74382%0.818SS**  trans-115.496.8-152.951.7-159.3166.7-160.50113.4
290S36.1Very low35.3Very low118 Ų118137.1 Ų137.183%0.82582%0.819SS**  trans27.995.3158.7640000117.5
291V38.9Very low35.4Very low144 Ų144140.7 Ų140.787%0.87383%0.828SS**PPolyproline II helixtrans-91.8129.4154.9178.40000108.6
292K37.2Very low35.5Very low198 Ų198142.7 Ų142.786%0.86183%0.829SS**PPolyproline II helixtrans-82.9116.7-172-173.4174.9-178.7177.90110.9
293L32.2Very low35.6Very low169 Ų169144.3 Ų144.389%0.88583%0.829SS**PPolyproline II helixtrans-64.9140.8170.2-72.1170.8000110.9
294S32.9Very low35.8Very low119 Ų119151.2 Ų151.283%0.83283%0.832SS**  trans-140.1117.1161.6-171.80000108.1
295S35Very low36Very low113 Ų113153.9 Ų153.979%0.7983%0.828SS**  trans-71.1146.5176.5-51.20000111
296Q34.2Very low35.7Very low188 Ų188155.7 Ų155.788%0.87983%0.829SS**  -169156.8100.7-165.4157.1-64.200110.9
297I35.1Very low35.7Very low162 Ų162151.1 Ų151.183%0.83183%0.827SS**  trans-95.7141.3-179.1-25173.7000109.9
298S30.8Very low35.5Very low116 Ų116149.4 Ų149.481%0.81183%0.826SS**  trans-153.7141.8148.3-168.20000110.3
299A32.7Very low36.2Very low99 Ų99146.2 Ų146.282%0.81882%0.823SS**  trans-81161.9163.700000110.3
300G32.3Very low35.7Very low80 Ų80143 Ų14383%0.82583%0.828SS**  trans174.3136.3176.600000109.8
301E38.4Very low35.6Very low184 Ų184143.4 Ų143.486%0.8683%0.831SS**  trans-121.4-174.5-169.362.2-163.3128.500113.6
302E39.4Very low35.3Very low175 Ų175141 Ų14182%0.81883%0.826SS**  trans65.2103.5169.170.7175.8-177.800124.2
303K39.6Very low34.9Very low186 Ų186134.5 Ų134.581%0.80982%0.815SS**  46.6108.2120.8-64.1176-178.2163.20123.1
304W37.3Very low35Very low218 Ų218135.7 Ų135.783%0.82681%0.813SS**  65.8114.8127.4-64.6113.6000124.1
305N41.4Very low35.1Very low132 Ų132139.9 Ų139.971%0.70681%0.811SS**  trans49.3127.1135.8-691.2000123.6
306S29.1Very low35.1Very low116 Ų116142.2 Ų142.281%0.81181%0.807SS**  -170.4132.1117.2-84.10000116.3
307V33.5Very low35.1Very low143 Ų143140 Ų14087%0.86781%0.807SS**  trans34137.7144-166.90000122.7
308S35.8Very low35.1Very low105 Ų105138 Ų13873%0.73479%0.793SS**  trans-86.5173177.2-9.20000115.9
309P46.6Very low35.8Very low134 Ų134138.5 Ų138.587%0.8779%0.794SS**  trans-117.8175.3142.737.5-29.8000113
310A31.6Very low36.4Very low103 Ų103138.4 Ų138.485%0.85179%0.788SS**  trans-135.5164.1-174.700000113
311S32.7Very low36.5Very low127 Ų127138.8 Ų138.889%0.88878%0.783SS**  trans-156.4168.8167.5-162.60000113.3
312A33.1Very low36.3Very low95 Ų95140.9 Ų140.979%0.78578%0.783SS**  trans-75.7171.6177.400000112.3
313G29.8Very low36.1Very low61 Ų61137.2 Ų137.263%0.62978%0.777SS**  cis130.3159.73.700000111.8
314K33.1Very low35.7Very low193 Ų193135.6 Ų135.684%0.83977%0.772SS**  trans75.9157.4-171.7-39.6-105.6-173179.30113.1
315R34.9Very low35.6Very low208 Ų208130.6 Ų130.679%0.78576%0.761SS**  cis-168149.8-27.9-105.2-165.6-50.2169.97.2109.1
316K36.2Very low35.2Very low161 Ų161129.9 Ų129.970%0.776%0.762SS**  trans56133.1148.6-78-80.9-172.1173.10120.3E318K316-E318 IonicContact NZ-OE2 3.42Å; K316-E318 PolarHBondContact NZ-OE2 2.87Å
317T33.8Very low35.5Very low143 Ų143128 Ų12888%0.87776%0.761SS**  -157.3153119.5-79.30000108.5
318E34.1Very low35.9Very low118 Ų118128.7 Ų128.755%0.55176%0.76SS**  trans-148.5152.1-176.5-175.1-166140.600107.9K316 S320K316-E318 IonicContact NZ-OE2 3.42Å; K316-E318 PolarHBondContact NZ-OE2 2.87Å; E318-S320 PolarHBondContact OE1-OG 2.81Å
319P46.7Very low35.9Very low128 Ų128128.4 Ų128.483%0.83176%0.764SS**  trans-129.6147.7142.736.5-27000112.8
320S43.9Very low35.5Very low97 Ų97130 Ų13068%0.67877%0.765SS**  trans-116.1158.9-172.3-17.40000112.2E318E318-S320 PolarHBondContact OE1-OG 2.81Å
321A35.7Very low35.7Very low88 Ų88130 Ų13073%0.72777%0.765SS**  trans-156.1126.215700000113.8
322W33.6Very low35.9Very low227 Ų227131.8 Ų131.886%0.8677%0.765SS**  trans15.1143.4142-5679.7000120.4
323S34.7Very low35.8Very low98 Ų98130.3 Ų130.369%0.68576%0.759SS**  cis-13916213.8-63.70000110.4
324Q32.3Very low36.2Very low152 Ų152136.6 Ų136.671%0.7177%0.769SS**  51.8134.365.2-93.7-172.3-68.500114.8
325D35.2Very low36.7Very low113 Ų113134.5 Ų134.560%0.60477%0.767SS**  cis-155.9169.32.6-147.4-35000113.2
326T33.9Very low37.3Very low117 Ų117137.4 Ų137.472%0.71878%0.778SS**  trans20.9147.1156.121.90000123.9
327G34.3Very low37.9Very low76 Ų76132.9 Ų132.978%0.78478%0.777SS**  trans17843.9172.800000116.8
328D42.8Very low38.2Very low159 Ų159137.4 Ų137.485%0.8578%0.778SS**  trans-78.1124-179.6-58.9-75000113.5
329A35.1Very low38.5Very low98 Ų98135.3 Ų135.381%0.8178%0.777SS**  trans-161.4122.2153.600000112.5
330N37.5Very low38Very low167 Ų167141 Ų14189%0.89378%0.782SS**  trans-86.5119.2176.451.7-29.6000112.3
331A37.2Very low38Very low105 Ų105141 Ų14187%0.86878%0.782SS**  trans-122.2114.3167.900000110.9
332N35Very low38.2Very low163 Ų163142.8 Ų142.887%0.87278%0.779SS**  trans-93.7110.8176.1173.616.9000109.5
333G31.4Very low38.7Very low64 Ų64142.1 Ų142.166%0.6678%0.776SS**  trans-144.6143.1179.600000111.8
334K39.6Very low38.9Very low193 Ų193142.6 Ų142.684%0.83978%0.78SS**  trans-106.7108-174.4-61.1170.3-177171.40110.8
335D42.9Very low39.9Very low149 Ų149141.1 Ų141.180%0.79778%0.775SS**  trans-135.449.3175.5-79.7-63.9000113.3G337D335-G337 PolarHBondContact O-N 3.19Å
336W47Very low40.1Very low269 Ų269145 Ų145100%1.01979%0.787SS**  trans-81.857.3172.2-81.596.3000112.1
337G48.8Very low40.1Very low67 Ų67145.1 Ų145.169%0.69179%0.793SS**  trans-175.753.1-172.500000118.8D335D335-G337 PolarHBondContact O-N 3.19Å
338R40.4Very low40.2Very low238 Ų238145 Ų14590%0.89879%0.791SS**  trans-135.6159.3158.5-72.4-162.7-176.3-82.6-2.5112.3
339S39.7Very low40.1Very low74 Ų74146 Ų14652%0.51780%0.795SS.*  trans-64.8140.9-173.1410000113S341 D342S339-S341 VanDerWaalsContact C-N 3.34Å; S339-D342 WeakPolarHBondContact CB-OD2 3.34Å; S339-D342 PolarHBondContact OG-OD2 3.4Å
340W37.7Very low40Very low248 Ų248144.7 Ų144.794%0.93979%0.79SS**SBendtrans-93.32.416662.9-76.8000112.5
341S42.4Very low39.7Very low96 Ų96142.7 Ų142.767%0.67179%0.789SS**SBendtrans-75.9-30178.3-440000113.5S339 R343S339-S341 VanDerWaalsContact C-N 3.34Å; S341-R343 PolarHBondContact O-N 2.92Å
342D40.8Very low39.5Very low125 Ų125143.9 Ų143.967%0.66879%0.786SS**  trans-102.443-163.3-55.1-64.9000113.5S339S339-D342 WeakPolarHBondContact CB-OD2 3.34Å; S339-D342 PolarHBondContact OG-OD2 3.4Å
343R44.6Very low39.5Very low214 Ų214140.2 Ų140.281%0.80878%0.778SS**  trans-120.160.2164.8-91.3-174.2166.8-106.2-1.4111.2S341 I345S341-R343 PolarHBondContact O-N 2.92Å; R343-I345 PolarHBondContact O-N 2.9Å
344S37.6Very low39.6Very low108 Ų108146 Ų14676%0.75579%0.789SS**  trans-60.1118.9154.6-169.20000108.3
345I54.3Low40.2Very low121 Ų121142.3 Ų142.362%0.62178%0.784SS**SBendtrans-98.5134.9172.1-58.6178.7000106.1R343R343-I345 PolarHBondContact O-N 2.9Å
346F38.9Very low39.6Very low194 Ų194142.3 Ų142.385%0.85179%0.789SS**SBendtrans78.286.5-166.4-50-68.9000114.5
347S34Very low39Very low120 Ų120134.5 Ų134.584%0.83978%0.776SS**PPolyproline II helixtrans-66.7139.7160.3-53.20000110.7
348G36.4Very low38.2Very low73 Ų73139.8 Ų139.875%0.75378%0.782SS**PPolyproline II helixtrans-74.1169.6169.400000113.4
349I40.8Very low37.7Very low181 Ų181132.7 Ų132.793%0.92877%0.769SS**SBendtrans-91.6124.5177.1-44.7170000108.8
350G32.2Very low37.1Very low69 Ų69135 Ų13571%0.71178%0.78SS**  trans82.9130.4-179.700000113.3
351S33.1Very low36.8Very low125 Ų125129 Ų12987%0.87477%0.772SS**  cis96.767.315.6-163.70000117.6
352T33Very low36.5Very low130 Ų130129.9 Ų129.980%0.79878%0.778SS**  trans-169.7117.2144179.30000107
353A33.3Very low36.1Very low86 Ų86130.5 Ų130.571%0.71178%0.781SS**  50.9127.787.800000113.6
354E33.1Very low35.9Very low187 Ų187130.7 Ų130.787%0.87478%0.783SS**  cis-152.9169.91.2-114.6-169.6150.900111.2
355P53.7Low35.6Very low115 Ų115133.5 Ų133.575%0.74778%0.784SS**  trans-99.6131.3-173.436.2-30.7000115
356V30.7Very low34.9Very low149 Ų149137.2 Ų137.290%0.90379%0.791SS**  trans-135.9149.51671760000110.3
357S34.6Very low34.8Very low105 Ų105135.6 Ų135.673%0.73479%0.791SS**  trans-104.9171.1-171.1-58.30000113.7
358Q32Very low35.1Very low178 Ų178135.8 Ų135.883%0.83279%0.787SS**  trans105.9121.9151.9-56.2-160.825.600119.3
359S28.7Very low35.3Very low88 Ų88137.6 Ų137.662%0.61579%0.787SS**  72.7116.6126.5-58.40000123
360T28.3Very low35.1Very low123 Ų123140.2 Ų140.276%0.75579%0.786SS**  78.6136.1126.655.60000123
361T30.9Very low35.3Very low123 Ų123144 Ų14476%0.75579%0.79SS**  trans67.2143.215452.80000121
362S35.3Very low35.4Very low114 Ų114146.2 Ų146.280%0.79779%0.786SS**  trans63.4156.6151.252.20000119
363D33.3Very low36.1Very low138 Ų138144.7 Ų144.774%0.73878%0.779SS**  cis-157.4178.1-38.1-158.2-1.2000106.9Q365D363-Q365 PolarHBondContact O-N 3.36Å
364Y39.7Very low36.7Very low217 Ų217150 Ų15085%0.85178%0.782SS**  trans-44.2121.5-173.8-63-88.8000116.2
365Q30.7Very low37.2Very low167 Ų167146.3 Ų146.378%0.7877%0.767SS**  trans-141.3147.6140.9-154.3132.8118.300111.7D363D363-Q365 PolarHBondContact O-N 3.36Å
366W39.6Very low36.7Very low200 Ų200146.4 Ų146.476%0.75876%0.761SS**  trans-86.3142.1-179.838.4-88.9000109.6
367D37.3Very low37.3Very low160 Ų160145.3 Ų145.386%0.85675%0.75SS**  trans-148.3111.7155.4-124.8-25.9000109.6
368V39.7Very low38.3Very low124 Ų124148.5 Ų148.575%0.75275%0.754SS**  trans-103.8138.5-179.2175.40000107.9
369S40.6Very low39.6Very low110 Ų110151.7 Ų151.777%0.76976%0.758SS**  trans81.873.8176.8-46.10000117.3
370R37.9Very low40.8Very low236 Ų236152.4 Ų152.489%0.89176%0.763SS**SBend-155151.7123.2-111.7164.5-159-156.63112.9
371N36.3Very low41.4Very low149 Ų149150.4 Ų150.480%0.79777%0.767SS**  trans68.255.9166.2-49.1-16.1000117.1
372Q35.3Very low41.9Very low171 Ų171151.6 Ų151.680%0.79977%0.768SS**PPolyproline II helixtrans-85.3121.1150.5-83.5-73.1-9.400108.8
373P47.1Very low42.3Very low99 Ų99153.1 Ų153.164%0.64377%0.767SS**PPolyproline II helixtrans-74142.7167.831.5-32.1000110.2I375P373-I375 PolarHBondContact O-N 2.9Å
374Y46.6Very low42.8Very low196 Ų196150.5 Ų150.577%0.76977%0.772SS**PPolyproline II helixtrans-54.6130.5179.3174.1-92.9000112.4D376Y374-D376 WeakPolarHBondContact CE1-OD1 3.26Å; Y374-D376 PolarHBondContact OH-OD1 2.73Å
375I43.1Very low42.9Very low110 Ų110148.3 Ų148.356%0.56477%0.774SS**  trans-122.9132176.7-67.1167.3000107.6P373 D377P373-I375 PolarHBondContact O-N 2.9Å; I375-D377 PolarHBondContact O-N 3Å
376D42Very low43.9Very low117 Ų117146 Ų14663%0.62678%0.776SS**  trans-7778.8179.3-65.9-74.3000112.1Y374 E378Y374-D376 WeakPolarHBondContact CE1-OD1 3.26Å; Y374-D376 PolarHBondContact OH-OD1 2.73Å; D376-E378 PolarHBondContact O-N 3.22Å
377D45.1Very low44.1Very low127 Ų127142.1 Ų142.168%0.67978%0.78SS**  trans-74.843.2175.1-81.2-49.9000113.6I375 W379I375-D377 PolarHBondContact O-N 3Å; D377-W379 PolarHBondContact O-N 3.28Å
378E55.8Low44.6Very low172 Ų172138.7 Ų138.780%0.80477%0.774SS**THydrogen-bonded Turntrans-698.8-178.7-150.3-175.9-159.800113.9D376D376-E378 PolarHBondContact O-N 3.22Å
379W57.8Low45.1Very low245 Ų245137.7 Ų137.793%0.92876%0.764SS**THydrogen-bonded Turntrans-118.413.9-176.1-76.580.4000114.8D377D377-W379 PolarHBondContact O-N 3.28Å
380S54.7Low45.8Very low103 Ų103138.9 Ų138.972%0.7277%0.77SS**  trans-106.836.6172.8-66.60000113.8L382S380-L382 PolarHBondContact O-N 3.08Å
381G39.7Very low46.8Very low80 Ų80134.2 Ų134.283%0.82576%0.762SS**  trans-75.477.1175.600000113.6
382L41.8Very low48.1Very low149 Ų149130.1 Ų130.178%0.7875%0.745SS**  trans-74.5146.3171.9-167.868.7000111.1S380S380-L382 PolarHBondContact O-N 3.08Å
383N44.9Very low49.7Very low146 Ų146129.8 Ų129.878%0.78175%0.749SS**  trans73.262.6175.3-55.5-36000117.3
384G42.7Very low51Low82 Ų82136.2 Ų136.285%0.84576%0.76SS**  trans-99.797.4159.500000112.1
385L43Very low51.8Low171 Ų171134.4 Ų134.490%0.89576%0.764SS**  trans-77.9136.3173.2-73.7169.4000111.2
386S50.4Low52.8Low118 Ų118132.7 Ų132.783%0.82577%0.767SS**  trans52.567.8159.7-172.40000117.3
387S44.9Very low53.6Low120 Ų120132.6 Ų132.684%0.83977%0.772SS**  trans-102.877.2158.5-178.70000110.6D389S387-D389 PolarHBondContact O-N 3.43Å
388A48.2Very low54Low87 Ų87131.4 Ų131.472%0.71978%0.78SS**  trans-71.8111.2167.400000109.1P390A388-P390 WeakPolarHBondContact O-CD 3.32Å
389D48.4Very low54.2Low104 Ų104131 Ų13156%0.55678%0.778SS**  trans-68.1117173.4179.9-12.6000109.5S387 N391 S392S387-D389 PolarHBondContact O-N 3.43Å; D389-N391 PolarHBondContact O-N 2.88Å; D389-N391 VanDerWaalsContact O-N 3.1Å; D389-N391 PolarHBondContact OD1-N 3.42Å; D389-S392 PolarHBondContact O-N 2.86Å
390P56.8Low54.2Low135 Ų135127.8 Ų127.888%0.87777%0.773SS**THydrogen-bonded Turntrans-72.52.7-17631.7-36.4000114.4A388A388-P390 WeakPolarHBondContact O-CD 3.32Å
391N59.1Low54.1Low138 Ų138135.1 Ų135.174%0.73879%0.786SS**THydrogen-bonded Turntrans-127.926.3175.2-162.289.1000112.9D389D389-N391 PolarHBondContact O-N 2.88Å; D389-N391 VanDerWaalsContact O-N 3.1Å; D389-N391 PolarHBondContact OD1-N 3.42Å
392S62.5Low54.3Low63 Ų63133.5 Ų133.544%0.44177%0.768SS.*  trans-96.8102.5176.7-172.10000112.1D389 W394D389-S392 PolarHBondContact O-N 2.86Å; S392-W394 PolarHBondContact O-N 3.33Å
393D68.2Low54.2Low163 Ų163132.8 Ų132.887%0.87277%0.765SS**  trans-67.316.1174.7-74.3-40.9000114.2N395D393-N395 VanDerWaalsContact C-N 3.25Å; D393-N395 PolarHBondContact O-N 2.86Å
394W76.3Confident54.3Low234 Ų234137 Ų13789%0.88677%0.771SS**  trans-76.973.9179-84.992.8000112.3S392 A396S392-W394 PolarHBondContact O-N 3.33Å; W394-A396 PolarHBondContact O-N 3.41Å
395N62.9Low54.5Low158 Ų158137.6 Ų137.685%0.84576%0.757SS**  trans-69.796.8167.6-141-4.4000108.7D393D393-N395 VanDerWaalsContact C-N 3.25Å; D393-N395 PolarHBondContact O-N 2.86Å
396A64Low54.8Low75 Ų75134.1 Ų134.162%0.6274%0.74SS**  trans-62.2133.3173.400000109.1W394 A398W394-A396 PolarHBondContact O-N 3.41Å; A396-A398 PolarHBondContact O-N 3.03Å
397P57.4Low55Low114 Ų114135 Ų13574%0.7473%0.731SS**  trans-63.1114.3178.125.7-32.8000109.1E399P397-E399 PolarHBondContact O-N 3.47Å
398A54.9Low55.1Low102 Ų102137.4 Ų137.484%0.84373%0.729SS**  trans-73.765.1168.500000109.1A396 E400A396-A398 PolarHBondContact O-N 3.03Å; A398-E400 PolarHBondContact O-N 2.92Å
399E60Low55.1Low164 Ų164141.9 Ų141.977%0.76673%0.727SS**  trans-7386.8173.7-162.8155.8-140.900107.5P397 W401P397-E399 PolarHBondContact O-N 3.47Å; E399-W401 PolarHBondContact O-N 2.93Å
400E57Low54.8Low177 Ų177140 Ų14083%0.82773%0.726SS**  trans-49.7124.9174.9-177.5177.6171.800109.3A398 G402A398-E400 PolarHBondContact O-N 2.92Å; E400-G402 PolarHBondContact O-N 3.05Å
401W53.9Low54.5Low258 Ų258137.6 Ų137.698%0.97771%0.712SS**  trans-74.773.9179.6-80.772.3000110.2E399 N403E399-W401 PolarHBondContact O-N 2.93Å; W401-N403 PolarHBondContact O-N 3.42Å
402G43.8Very low53.8Low45 Ų45138.2 Ų138.246%0.46472%0.715SS.*  trans-56.5115.1-178.800000111.7E400 W404E400-G402 PolarHBondContact O-N 3.05Å; G402-W404 PolarHBondContact O-N 3.44Å
403N38.5Very low52.8Low134 Ų134142.8 Ų142.872%0.71773%0.734SS**  trans-55.8103.7177.5172.677.2000112.2W401 V405W401-N403 PolarHBondContact O-N 3.42Å; N403-V405 VanDerWaalsContact C-N 3.35Å; N403-V405 WeakPolarHBondContact ND2-CG2 3.37Å; N403-V405 PolarHBondContact O-N 3.37Å
404W46.9Very low51.4Low235 Ų235144 Ų14489%0.8973%0.731SS**  trans-70.682.2175.8-72.9101.7000112.1G402G402-W404 PolarHBondContact O-N 3.44Å
405V46.4Very low49.5Very low94 Ų94138.2 Ų138.257%0.5773%0.727SS**  trans-137.9136.9172.6-179.40000110N403N403-V405 VanDerWaalsContact C-N 3.35Å; N403-V405 WeakPolarHBondContact ND2-CG2 3.37Å; N403-V405 PolarHBondContact O-N 3.37Å
406D50.6Low48Very low98 Ų98138.7 Ų138.752%0.52472%0.724SS.*SBendtrans75.515.2167.8-78-34.4000121.5E408 R409 A410D406-E408 VanDerWaalsContact C-N 3.28Å; D406-E408 PolarHBondContact O-N 3.04Å; D406-R409 PolarHBondContact O-N 3.38Å; D406-R409 WeakPolarHBondContact OD1-CD 3.41Å; D406-R409 WeakPolarHBondContact OD1-CG 3.48Å; D406-R409 IonicContact OD1-NE 2.75Å; D406-A410 PolarHBondContact O-N 3.5Å
407E53.1Low46.6Very low138 Ų138141.7 Ų141.765%0.64573%0.725SS**Hα-helixtrans-63.1-32.9166-150.883.6-116.100112.6A410 S411E407-A410 PolarHBondContact O-N 3.45Å; E407-S411 PolarHBondContact O-N 3.48Å; E407-S411 PolarHBondContact O-OG 3.44Å
408E47.8Very low45.8Very low170 Ų170142.2 Ų142.279%0.79473%0.728SS**Hα-helixtrans-69.3-33.4178.9-68.4-168.6126.200112.9D406D406-E408 VanDerWaalsContact C-N 3.28Å; D406-E408 PolarHBondContact O-N 3.04Å
409R47.7Very low45Very low181 Ų181143 Ų14368%0.68372%0.717SS**Hα-helixtrans-71.4-34.7177.1-79.5-165.9-178.2-97.80.2112.7D406 S411D406-R409 PolarHBondContact O-N 3.38Å; D406-R409 WeakPolarHBondContact OD1-CD 3.41Å; D406-R409 WeakPolarHBondContact OD1-CG 3.48Å; D406-R409 IonicContact OD1-NE 2.75Å; R409-S411 VanDerWaalsContact C-N 3.34Å
410A43.7Very low44Very low65 Ų65141 Ų14154%0.53772%0.719SS.*Hα-helixtrans-66.2-37.6178.100000112.2D406 E407D406-A410 PolarHBondContact O-N 3.5Å; E407-A410 PolarHBondContact O-N 3.45Å
411S48.8Very low42.8Very low83 Ų83139.9 Ų139.958%0.5872%0.718SS**Hα-helixtrans-70.3-32.1-176.8-61.30000113.6E407 R409 L413E407-S411 PolarHBondContact O-N 3.48Å; E407-S411 PolarHBondContact O-OG 3.44Å; R409-S411 VanDerWaalsContact C-N 3.34Å; S411-L413 VanDerWaalsContact C-N 3.28Å; S411-L413 PolarHBondContact O-N 3.32Å
412L44.5Very low42Very low151 Ų151134.8 Ų134.879%0.79171%0.71SS**THydrogen-bonded Turntrans-70.2-14.5-176.2-96.1164.8000115.3
413L41.6Very low41.4Very low160 Ų160142 Ų14284%0.83873%0.732SS**THydrogen-bonded Turntrans-101.94.6-174.5-76.8167.3000114.5S411S411-L413 VanDerWaalsContact C-N 3.28Å; S411-L413 PolarHBondContact O-N 3.32Å
414K39.2Very low41.4Very low187 Ų187144.6 Ų144.681%0.81374%0.737SS**SBendtrans-108.57.3-170.9-15065.4178.9179.20115.5
415S37Very low40.6Very low114 Ų114140.5 Ų140.580%0.79774%0.737SS**  trans-135.272.1-172.2-59.80000113.7
416Q31.9Very low39.9Very low168 Ų168141.5 Ų141.579%0.78575%0.748SS**  trans-148.9113.8163.7-176.7153.326.500113.3
417E34.9Very low39.1Very low137 Ų137144 Ų14464%0.6476%0.761SS**  trans56.1160.1161.6-106.788-134.500118.5I419E417-I419 HydrophobicContact CG-CD1 4.43Å; E417-I419 HydrophobicContact CG-CG1 4.4Å
418P40.4Very low38.1Very low125 Ų125144.1 Ų144.181%0.81277%0.767SS**  cis-117.6162.525.120.82.4000117.7
419I37.6Very low37.7Very low120 Ų120141.3 Ų141.362%0.61576%0.757SS**  trans-79153.1172.8-63.2152.5000111.5E417E417-I419 HydrophobicContact CG-CD1 4.43Å; E417-I419 HydrophobicContact CG-CG1 4.4Å
420P39.4Very low37.3Very low122 Ų122140.3 Ų140.379%0.79276%0.758SS**  trans-112.4136.5151.935.4-25.8000112.7
421D32Very low37.3Very low153 Ų153146.2 Ų146.282%0.81877%0.774SS**  trans-89165.1-179.5-94-51.9000114.9
422D36.5Very low36.8Very low150 Ų150151.5 Ų151.580%0.80279%0.787SS**  trans-22149.2172.6-82.1-15.4000120.7
423Q31Very low36.1Very low198 Ų198147.5 Ų147.593%0.92578%0.782SS**  trans-140127.4147.7-159.4171.526.300112.8
424K38.3Very low35.7Very low188 Ų188149.7 Ų149.782%0.81779%0.788SS**  trans-94.5133.1-179.7-77.1-176.4170.7-1740113.9
425V30.2Very low35.3Very low149 Ų149144.1 Ų144.190%0.90378%0.784SS**  trans-177.2152.3139.3-98.40000108.1
426S31.3Very low35Very low115 Ų115143.6 Ų143.680%0.80479%0.786SS**  cis-150165.6-10.6-176.60000108.4
427D33.5Very low35.6Very low149 Ų149143.5 Ų143.580%0.79779%0.79SS**  trans-92.6-176.3169.6-154.1-11.4000111.5
428D33.7Very low36.2Very low142 Ų142142.9 Ų142.976%0.75980%0.798SS**  trans99.490.7164.3-120.6-105.6000120
429D37.6Very low36Very low110 Ų110143.1 Ų143.159%0.58880%0.797SS**  74.9151122.9-144.629.4000124.6
430K40.9Very low35.9Very low161 Ų161140.7 Ų140.770%0.780%0.801SS**  trans-1.7133.8170.4-67.7161-160.773.50120.7
431E42Very low35.8Very low189 Ų189144 Ų14488%0.88380%0.804SS**  -155.8-171.9100-126-156.7144.400115.1
432K38.3Very low36.3Very low194 Ų194142.1 Ų142.184%0.84380%0.802SS**  trans-101.5152-164.9-62.3176178.6174.80114.5
433G31Very low36.3Very low66 Ų66145.7 Ų145.768%0.6881%0.811SS**  98.513311400000119.4
434E32.8Very low36.8Very low206 Ų206145.7 Ų145.796%0.96381%0.808SS**  trans57.6143153.1-52.5-169.5-172.800119.2
435G30.8Very low36.9Very low71 Ų71146.2 Ų146.273%0.73281%0.81SS**  cis173.5-160.1-0.400000111.8
436A30.3Very low37.4Very low102 Ų102148.5 Ų148.584%0.84381%0.808SS**  trans59.996166.300000119.5
437L44.6Very low37.8Very low166 Ų166151.6 Ų151.687%0.86981%0.807SS**  trans-76.1137.3143.8-69.5171.4000110.1
438P47.5Very low38.2Very low125 Ų125154.3 Ų154.381%0.81281%0.811SS**  trans-95.3147.9156.133.8-29.6000111.4
439T36.5Very low38.5Very low130 Ų130155.6 Ų155.680%0.79881%0.81SS**  trans-120.6151.2-172.465.30000114.5
440G34.9Very low38.5Very low68 Ų68158.8 Ų158.870%0.70182%0.819SS**  trans96.9176.2155.800000117.4
441K38.5Very low38.7Very low193 Ų193157.1 Ų157.184%0.83981%0.812SS**  cis-163.8130.5-14.8-118.9163.8-175.7170.10109.7
442S41.9Very low38.3Very low113 Ų113156.2 Ų156.279%0.7981%0.807SS**  trans3.1140.7160.661.50000121.9
443K36.2Very low38.1Very low224 Ų224150.6 Ų150.697%0.97480%0.804SS**  trans-124.6121.2161.2-160.8169.2-173.3172.90111.6
444K41.2Very low38.4Very low199 Ų199151.7 Ų151.787%0.86579%0.792SS**  trans-140.6123.9-171.5174.3-179.2-179.7175.40111.9
445K40.3Very low38.4Very low198 Ų198148.9 Ų148.986%0.86178%0.783SS**  trans-176.5152.5167.3-107.6159-174172.40109.3
446K41.6Very low38.4Very low197 Ų197152.1 Ų152.186%0.85778%0.784SS**  cis-150156.6-1.1-164.2174.2176.8-176.80111.5
447K38.7Very low38.6Very low181 Ų181152.2 Ų152.279%0.78778%0.778SS**  trans-103149.6-175.2161-176.9178.3174.10113.3
448K42.5Very low37.9Very low205 Ų205152 Ų15289%0.89177%0.772SS**  trans-154.4103.1157-160.7177.1-177.8-174.80107.4
449K39.8Very low37.2Very low169 Ų169149.8 Ų149.874%0.73577%0.765SS**  70118.265.5-161.6174.9-174.9-179.30110.2
450K37.7Very low37Very low178 Ų178152.4 Ų152.477%0.77477%0.768SS**  -164.9142.571.4172.5-177.7175.5-170.30113
451K45.8Very low36.7Very low126 Ų126155.4 Ų155.455%0.54877%0.768SS.*  trans18.2158.7144.3-56.9-164.4162.3-102.90120.5E454K451-E454 WeakPolarHBondContact CE-OE1 3.27Å; K451-E454 VanDerWaalsContact CG-OE1 3.31Å; K451-E454 WeakPolarHBondContact CG-OE1 3.5Å; K451-E454 VanDerWaalsContact NZ-CD 3.31Å; K451-E454 IonicContact NZ-OE1 2.66Å; K451-E454 PolarHBondContact NZ-OE1 3.2Å; K451-E454 IonicContact NZ-OE2 3.68Å
452Q33.5Very low36.4Very low170 Ų170152.9 Ų152.979%0.79477%0.769SS**  cis-153147.725-160.2159.2-36.400114.1E454Q452-E454 VanDerWaalsContact CA-OE2 3.3Å; Q452-E454 WeakPolarHBondContact CA-OE2 3.49Å; Q452-E454 WeakPolarHBondContact CG-OE2 3.3Å
453G33.8Very low36.1Very low75 Ų75156 Ų15677%0.77377%0.771SS**  trans172.710.7174.900000114.1
454E36.8Very low35.9Very low90 Ų90153.9 Ų153.942%0.42177%0.765SS.*  trans-66.6139.7176.5-65.8112.7121.500112.2K451 Q452K451-E454 WeakPolarHBondContact CE-OE1 3.27Å; K451-E454 VanDerWaalsContact CG-OE1 3.31Å; K451-E454 WeakPolarHBondContact CG-OE1 3.5Å; K451-E454 VanDerWaalsContact NZ-CD 3.31Å; K451-E454 IonicContact NZ-OE1 2.66Å; K451-E454 PolarHBondContact NZ-OE1 3.2Å; K451-E454 IonicContact NZ-OE2 3.68Å; Q452-E454 VanDerWaalsContact CA-OE2 3.3Å; Q452-E454 WeakPolarHBondContact CA-OE2 3.49Å; Q452-E454 WeakPolarHBondContact CG-OE2 3.3Å
455D33.5Very low35.4Very low147 Ų147153 Ų15379%0.78677%0.768SS**  cis-140.5-168.5-2.1-72.6-46.5000107.6
456N31.8Very low35.1Very low139 Ų139151.4 Ų151.474%0.74376%0.764SS**  cis-150.6-135.717.2-163.2-1.6000108.7
457S33.3Very low34.9Very low104 Ų104150.9 Ų150.973%0.72776%0.762SS**  cis-175.6160-1.427.80000107.6
458H29.9Very low34.4Very low160 Ų160151.2 Ų151.274%0.74177%0.766SS**  cis-173.3-178.8-19.517555.7000107.6
459A33.4Very low33.9Very low80 Ų80149 Ų14966%0.66176%0.763SS**  trans70.7127179.400000116.4
460Q31.7Very low33.5Very low184 Ų184150.7 Ų150.786%0.8676%0.764SS**  cis-148.4150.21.3-173.3172.5-1400111.7
461D29.2Very low33.1Very low132 Ų132148.9 Ų148.971%0.70676%0.758SS**  trans-76.7159.5179.8-57.1-78000114.3
462T31.3Very low32.3Very low139 Ų139151.7 Ų151.785%0.85377%0.774SS**  177.8132.1108.9-65.20000110.2
463E35.8Very low32.1Very low180 Ų180151.2 Ų151.284%0.84178%0.776SS**  trans-108.4173.2174-170.7171.7-165.900109.8
464E32.5Very low32.4Very low179 Ų179152.9 Ų152.984%0.83677%0.773SS**  trans73.588.4158.2-160.5166.3-122.900119
465L31.3Very low31.9Very low180 Ų180154 Ų15494%0.94279%0.786SS**  trans-150.757.8138.1-157.682.1000112.1
466E32.3Very low31.6Very low164 Ų164153.7 Ų153.777%0.76678%0.784SS**  trans-99.1144.8162.5-75.1-164.5-178.500110.6
467K37.4Very low31.5Very low187 Ų187153.9 Ų153.981%0.81379%0.79SS**  trans80.272.1171.5-45.6-176.1-161.3-41.80116.6
468E29.4Very low31.3Very low187 Ų187153.4 Ų153.487%0.87479%0.787SS**  trans-131.7164.1140.1-165.7156.7-153.500109.8
469I32.5Very low31.3Very low160 Ų160154.3 Ų154.382%0.82179%0.789SS**  trans75.6115.2-179.1-48.6-179.7000115.4
470R31.4Very low31.1Very low203 Ų203156.5 Ų156.577%0.76679%0.794SS**  trans-113.4151.8167.2128.6-158.7-83.4-114.511.7106.2
471E29.3Very low30.9Very low140 Ų140157.1 Ų157.165%0.65479%0.788SS**  trans62.8142.4177.4-70140.6-14100113.4
472E28.4Very low31.3Very low186 Ų186156.9 Ų156.987%0.86979%0.794SS**  cis-138.8175.624.8-74.2-167.812200114
473L29.8Very low31.2Very low160 Ų160156.4 Ų156.484%0.83878%0.78SS**  trans-102.6153.9149.1-79.1161.8000107.5
474P38.6Very low31.1Very low110 Ų110154.5 Ų154.571%0.71477%0.771SS**  cis-149.1-152.136.528.40.1000114.7
475V27.8Very low30.9Very low114 Ų114151.4 Ų151.469%0.69176%0.757SS**  trans86.694.5156-175.30000119.6
476N26.1Very low30.9Very low139 Ų139150.9 Ų150.974%0.74375%0.747SS**  53.6151.7123.2-64.7-69000124.6
477T29.4Very low30.8Very low144 Ų144146.1 Ų146.188%0.88374%0.735SS**  trans100.2128152.373.30000119.8
478S29.4Very low30.6Very low93 Ų93145.9 Ų145.965%0.6574%0.735SS**  trans-100.8170.9172.454.70000111.7
479K29.7Very low30.6Very low180 Ų180141.2 Ų141.278%0.78372%0.722SS**  trans131.6136.3158.7-92.677.9179.1-1790110.1
480T29.5Very low30.5Very low125 Ų125142.2 Ų142.277%0.76773%0.729SS**  cis-140.2-148.1-15.2-21.60000106.8
481R27.8Very low30.6Very low198 Ų198142 Ų14275%0.74773%0.733SS**  cis-151.8-162.63.6-136.1-176.4159.6158.1-7.7105.3
482P37.2Very low30.9Very low126 Ų126141.8 Ų141.882%0.81874%0.742SS**  cis-84.7176.31.3-7.428.2000114.4
483K29.1Very low31.3Very low129 Ų129141.1 Ų141.156%0.56174%0.742SS**  trans-107.2141.1169.2-104-163.2174.3-125.70108
484Q33.9Very low31.2Very low140 Ų140138.2 Ų138.265%0.65474%0.735SS**  56.3146.790.9-65.2-170.1-59.400114
485E28Very low30.8Very low115 Ų115139.2 Ų139.254%0.53774%0.74SS.*  cis-151.6163.123-133.3166.589.900107.7
486K31.9Very low31.1Very low169 Ų169139.4 Ų139.474%0.73575%0.746SS**  179.6158.456.4-120.5161.417182.10105.7
487A31.2Very low31.2Very low63 Ų63139.6 Ų139.652%0.52175%0.747SS.*  cis-167.4151.1-700000110.8
488F32Very low31.9Very low183 Ų183137.9 Ų137.980%0.80374%0.738SS**  trans55.7151.7139.2-53.6-37.2000121.6
489S30.1Very low31.8Very low88 Ų88137.4 Ų137.462%0.61574%0.74SS**  cis-169.8143.4-18.8-95.80000109.7
490L29.3Very low31.9Very low182 Ų182137.8 Ų137.895%0.95375%0.745SS**  trans-126.6141.5147.1-77.9173.9000107.8
491K34.9Very low32.2Very low198 Ų198138.7 Ų138.786%0.86175%0.75SS**  trans-104.7144.6-171.2-82.5-173.3173.8-176.90112.4
492T35.6Very low32.2Very low135 Ų135136.3 Ų136.383%0.82875%0.751SS**  trans-71.3159.4161.548.70000111.7
493I36.3Very low31.9Very low173 Ų173135.7 Ų135.789%0.88775%0.745SS**  trans-138.4150.6149.7-36.1176.4000107.1
494S27.7Very low32.2Very low99 Ų99138.1 Ų138.169%0.69276%0.755SS**  trans-142.1153.9176-175.80000109.2
495T30.5Very low32.1Very low131 Ų131138.5 Ų138.580%0.80476%0.762SS**  trans66.5113.1158.3-45.60000118.3
496S33.3Very low32.5Very low118 Ų118137.9 Ų137.983%0.82577%0.77SS**  trans-171155.4131.661.50000114.5
497D27.6Very low32.5Very low142 Ų142138 Ų13876%0.75977%0.773SS**  trans-61.7-179.2161.2-142.930.8000111.7
498P44.3Very low33.3Very low108 Ų108140.5 Ų140.570%0.70178%0.784SS**  cis-147.2176.713.845.1-24.3000120.5
499A28.6Very low33.2Very low84 Ų84136.8 Ų136.869%0.69478%0.776SS**  trans18.8133.4147.800000125.4
500E30.8Very low33.4Very low187 Ų187141.7 Ų141.787%0.87479%0.787SS**  trans38.5121.7135.3-57.2-167.9162.500123.9
501V35.2Very low33.5Very low144 Ų144138.7 Ų138.787%0.87378%0.776SS**  trans-141.2116.7130.8-176.10000112.2
502L28.3Very low33.3Very low148 Ų148136.7 Ų136.778%0.77577%0.774SS**  trans-8.3131.9152.8-172.972.1000120.1
503V31.4Very low34.1Very low113 Ų113135.6 Ų135.669%0.68577%0.769SS**  -179.2119.7116.2150.70000112
504K34.4Very low34.9Very low181 Ų181133.1 Ų133.179%0.78776%0.764SS**  trans33.1137.7146.3-48.9171.6-172.3173.80119
505N32.5Very low34.8Very low147 Ų147132.5 Ų132.579%0.78677%0.765SS**  cis-162.6160.537-156.1-0.4000113.6
506S36Very low34.7Very low102 Ų102132.7 Ų132.771%0.71377%0.766SS**  trans52.2104.8164.5-63.80000121.8
507Q33.5Very low34.5Very low172 Ų172132.3 Ų132.380%0.80476%0.763SS**  trans-54.5169.6136.5-67179.5-10.400111
508P46.6Very low34.7Very low115 Ų115131 Ų13175%0.74776%0.761SS**  cis-142.7-171.822.640.6-18.8000115.5
509V31.2Very low34.1Very low106 Ų106133 Ų13364%0.64276%0.761SS**  cis-166.2160.8-33.2-84.80000108.8
510K32.6Very low35Very low191 Ų191134.2 Ų134.283%0.8376%0.762SS**  trans68.1153.3153.9-75.2176.6178.1179.50118.4
511T31.8Very low35.3Very low119 Ų119129.3 Ų129.373%0.7375%0.748SS**  cis-155.6168.2-17.9-71.30000108.4
512L31.1Very low35.1Very low156 Ų156128.4 Ų128.482%0.81774%0.743SS**  trans-50.3163.9162.4-77.7157.7000115.5
513P52.1Low35.3Very low111 Ų111128.9 Ų128.972%0.72174%0.744SS**  trans-92-152.3-175.744.1-41.2000111
514P52.5Low35.3Very low121 Ų121129.8 Ų129.879%0.78675%0.745SS**  cis-130.7172.6-16.540.9-25.3000115.2
515A26.8Very low35.3Very low86 Ų86125.4 Ų125.471%0.71174%0.737SS**  trans-163.7112.5164.300000109.3
516T28.7Very low35.4Very low135 Ų135127.1 Ų127.183%0.82874%0.737SS**  72.612874.262.30000117.4
517S28.7Very low35.3Very low110 Ų110126.8 Ų126.877%0.76974%0.735SS**  trans96.8150.1146.9-156.30000121.1
518T31.5Very low35.3Very low116 Ų116124.9 Ų124.971%0.71273%0.73SS**  trans88.199.7148.8-48.50000119.5
519E32.8Very low35.1Very low149 Ų149123.8 Ų123.870%0.69673%0.725SS**  trans-70.3147145.3-165.3-133127.500109.1S521E519-S521 WeakPolarHBondContact OE1-CB 3.31Å; E519-S521 PolarHBondContact OE1-N 3.27Å; E519-S521 PolarHBondContact OE1-OG 3.45Å
520P47.6Very low35.2Very low109 Ų109124.2 Ų124.271%0.70872%0.724SS**  -150.3132.7104.634.7-15.6000116.9
521S36.1Very low35.6Very low85 Ų85122.1 Ų122.159%0.59472%0.715SS**  33.6130.8123.6-74.20000123.8E519E519-S521 WeakPolarHBondContact OE1-CB 3.31Å; E519-S521 PolarHBondContact OE1-N 3.27Å; E519-S521 PolarHBondContact OE1-OG 3.45Å
522V31.1Very low35.5Very low125 Ų125123.6 Ų123.676%0.75872%0.718SS**  trans79.7128.5137174.10000121.8
523I33.1Very low35.5Very low158 Ų158121 Ų12181%0.8171%0.713SS**  trans-168.1112.5136.5-93.5148.6000105.7
524L31.6Very low34.7Very low132 Ų132120.1 Ų120.169%0.69171%0.71SS**  55.5131.283.6-126.673.9000113.2
525S33Very low33.7Very low88 Ų88123.1 Ų123.162%0.61571%0.713SS**  cis-157.3158.426.3-38.40000110.2
526K35Very low34.2Very low183 Ų183125.5 Ų125.580%0.79672%0.718SS**  56.8147.695.6-58.8-176.7-178.4179.50115.6
527S34.2Very low35.7Very low95 Ų95124.4 Ų124.466%0.66471%0.714SS**  cis-170.5177.41.7-106.80000107.5
528D32.9Very low36.6Very low133 Ų133124.2 Ų124.271%0.71171%0.71SS**  cis-156.3144.11.4-126.538.9000106.9
529S42.2Very low36.5Very low91 Ų91124.2 Ų124.264%0.63671%0.71SS**  95.4175.385.4-165.20000115.1
530D34.1Very low36.4Very low115 Ų115123.6 Ų123.662%0.61571%0.711SS**  trans76.2136172.3-71.6-6.2000119.6
531K39.5Very low35.6Very low148 Ų148126.7 Ų126.764%0.64372%0.716SS**  cis-166.3132-10.6-125.1164.8-166.2128.90112.8
532N31.6Very low35.4Very low149 Ų149131.7 Ų131.780%0.79773%0.73SS**  trans51.4175.315277.854.4000119
533S30.6Very low35.5Very low101 Ų101131.5 Ų131.571%0.70673%0.729SS**  cis-149.2153.5-4-156.90000113.4
534S35.7Very low35.3Very low94 Ų94130.2 Ų130.266%0.65772%0.724SS**  trans0.8133.1152.7173.80000120.5
535Q31.9Very low35.5Very low184 Ų184131.6 Ų131.686%0.8672%0.724SS**  -174.3172.988.4-156.3148.6-1.200112.2
536V35.9Very low35.4Very low135 Ų135133 Ų13382%0.81873%0.733SS**  trans-120.9177.9-169.6-113.50000112.3
537P59.5Low35.5Very low112 Ų112134.1 Ų134.173%0.72774%0.738SS**  trans-97.9-163.2-144.245.4-38000113
538P48.3Very low35.5Very low106 Ų106135.6 Ų135.669%0.68875%0.749SS**  -160.9-179.578.837.1-11.9000119.7
539T28.7Very low35.5Very low117 Ų117136.5 Ų136.572%0.71875%0.754SS**  trans83145.2137.231.70000126.2
540L31.4Very low35Very low135 Ų135138.5 Ų138.571%0.70776%0.762SS**  trans67121157.3-62.3163.1000116.8
541Q30.5Very low35.2Very low174 Ų174141 Ų14181%0.81377%0.768SS**  65.8116.255.9-64.6-174.1-600114.1
542E31.5Very low35.1Very low191 Ų191140.9 Ų140.989%0.89377%0.769SS**  -158.7176.8104.9-120.6-177.3177.600111.9
543T34Very low35.1Very low121 Ų121139.9 Ų139.974%0.74276%0.764SS**  trans-155121.5-177.8-68.70000108.1
544D29.2Very low35.5Very low130 Ų130140 Ų14070%0.69577%0.765SS**  trans-162.8169.4138.5-124.2-45.2000118.1
545K36.2Very low35.6Very low162 Ų162141.9 Ų141.970%0.70477%0.772SS**  trans-89.2152.8-165.8-45.8139.2-165.392.10112.6
546S30.7Very low36.2Very low116 Ų116138.4 Ų138.481%0.81177%0.766SS**  179.6131.4128.235.80000109.7
547K37.1Very low36.6Very low207 Ų207137.9 Ų137.990%0.977%0.765SS**  7310652.2-79.4-168.4174.71790115.3
548S33.1Very low35.6Very low127 Ų127138.6 Ų138.689%0.88877%0.772SS**  trans-138160147.965.50000109.3
549N33.1Very low35.1Very low152 Ų152142.1 Ų142.181%0.81378%0.78SS**  trans-162.5127.4-164.81743.9000112
550T33.2Very low35.5Very low132 Ų132143.5 Ų143.581%0.8179%0.788SS**  trans-144.4112.1173.5-55.10000113.5
551K37.2Very low35.8Very low168 Ų168146.2 Ų146.273%0.7380%0.795SS**  trans2.6151.4138.6-66.1172.2169-173.20119.1
552Q37.7Very low36.3Very low145 Ų145142.9 Ų142.968%0.67879%0.79SS**  cis-167.1168.26.6-122.3173.1-77.900114.2
553N32.4Very low36.4Very low128 Ų128143.4 Ų143.468%0.68479%0.793SS**  trans67.9102.7153.1-73.215.7000123.8
554S39Very low36.7Very low103 Ų103143.9 Ų143.972%0.7280%0.795SS**  54.1105.2111.2-48.70000124.1
555V36.7Very low36.7Very low134 Ų134143.3 Ų143.381%0.81280%0.802SS**  41132109.8174.60000118.4
556P45.3Very low36.6Very low112 Ų112146.8 Ų146.873%0.72781%0.811SS**  cis-136170.837.230-7.6000118.2
557P42.9Very low36.9Very low123 Ų123148 Ų14880%0.79980%0.803SS**PPolyproline II helixtrans-79.4149.5173.233.5-35.8000113.3
558S38.7Very low37Very low127 Ų127142.4 Ų142.489%0.88879%0.79SS**PPolyproline II helixtrans-97151177.1-69.70000112.8
559Q38.4Very low37.4Very low181 Ų181142.8 Ų142.885%0.84679%0.79SS**PPolyproline II helixtrans-98.2140.6-175.9-60.7175.6-16.100112.6
560T36.9Very low37.8Very low146 Ų146143.3 Ų143.390%0.89679%0.785SS**  trans-134.3124.5153.234.10000111.8
561K38Very low38.3Very low192 Ų192145.6 Ų145.684%0.83579%0.786SS**  trans-49.1130.9171.8-64.3149.8-172.9174.30109.9
562S41.1Very low38.6Very low103 Ų103145.2 Ų145.272%0.7279%0.791SS**  75.696.453.882.30000114.2
563E34.5Very low38.9Very low203 Ų203147.2 Ų147.295%0.94980%0.797SS**  trans-117.5128.7153.5-72.4-158.513200109.4
564T39.4Very low39.6Very low130 Ų130151 Ų15180%0.79881%0.807SS**  trans-121.4113.8178-62.60000108.1
565S28.2Very low40Very low118 Ų118155.9 Ų155.983%0.82582%0.816SS**  trans-140.386.1170.5-164.90000111.1
566W35.6Very low40.5Very low236 Ų236159 Ų15989%0.89482%0.818SS**  trans-99.1118.6159.4-77.391.2000107.9
567E36.7Very low40.7Very low141 Ų141163.3 Ų163.366%0.65983%0.826SS**  trans-133.3107.3160.4-169.9163.5-171.400111.8K570E567-K570 WeakPolarHBondContact OE1-CE 3.19Å; E567-K570 IonicContact OE1-NZ 3.32Å; E567-K570 PolarHBondContact OE1-NZ 3.2Å
568S39.5Very low41.1Very low89 Ų89161.4 Ų161.462%0.62282%0.82SS**  trans-71144.2178.5-52.10000111.8K570S568-K570 PolarHBondContact O-N 3.33Å
569P41.9Very low41.6Very low135 Ų135165.3 Ų165.388%0.87782%0.815SS**  trans-57.2113.2178.1-26.935.7000113.1
570K41.1Very low42.5Very low163 Ų163168.2 Ų168.271%0.70982%0.818SS**  trans-66.2144.7-178.9-76.9163.8172.9161.40112.2E567 S568 I572E567-K570 WeakPolarHBondContact OE1-CE 3.19Å; E567-K570 IonicContact OE1-NZ 3.32Å; E567-K570 PolarHBondContact OE1-NZ 3.2Å; S568-K570 PolarHBondContact O-N 3.33Å; K570-I572 PolarHBondContact O-N 3.19Å
571Q42.3Very low43.3Very low180 Ų180168 Ų16884%0.84181%0.807SS**  trans-56.2119.5-178.3-65.1175.5-11.900112.8K573Q571-K573 PolarHBondContact O-N 3.35Å
572I44.8Very low43.7Very low161 Ų161169.1 Ų169.183%0.82683%0.831SS**  trans-74.398173.7-58176.7000109.5K570 K574K570-I572 PolarHBondContact O-N 3.19Å; I572-K574 PolarHBondContact O-N 2.78Å
573K44.4Very low43.8Very low186 Ų186172.5 Ų172.581%0.80984%0.836SS**  trans-61.1117170.9-74.5-177.2176.2177.20109.9Q571 K575Q571-K573 PolarHBondContact O-N 3.35Å; K573-K575 PolarHBondContact O-N 2.64Å
574K45.3Very low44.3Very low208 Ų208170.8 Ų170.890%0.90483%0.83SS**  trans-60.3100.6177.3-68.1-179.9179.7176.40110.9I572 K576I572-K574 PolarHBondContact O-N 2.78Å; K574-K576 PolarHBondContact O-N 3.38Å
575K47.8Very low44.6Very low205 Ų205173.1 Ų173.189%0.89183%0.832SS**  trans-71.6110.9175.5-170.5173.4-177.81770109.8K573 K577K573-K575 PolarHBondContact O-N 2.64Å; K575-K577 PolarHBondContact O-N 3.2Å
576K46.8Very low45.5Very low201 Ų201176.4 Ų176.487%0.87483%0.832SS**  trans-55.8102175.7-177.2178.4-179178.20110.4K574 A578K574-K576 PolarHBondContact O-N 3.38Å; K576-A578 PolarHBondContact O-N 3.48Å
577K50.7Low46.2Very low202 Ų202172.6 Ų172.688%0.87883%0.829SS**PPolyproline II helixtrans-70.8124.5172.4-170.5176.3-179.5-177.70108.5K575K575-K577 PolarHBondContact O-N 3.2Å
578A50.8Low46.8Very low82 Ų82174.7 Ų174.768%0.67884%0.84SS**PPolyproline II helixtrans-72.8146.1179.200000111.5K576 R580K576-A578 PolarHBondContact O-N 3.48Å; A578-R580 PolarHBondContact O-N 3.31Å
579R49.4Very low47.3Very low209 Ų209180.9 Ų180.979%0.78986%0.855SS**PPolyproline II helixtrans-61.1124.9164.6176.3176.9175.1168.5-4.7108.4E581R579-E581 HydrophobicContact CG-CG 4.4Å; R579-E581 IonicContact CZ-OE1 3.11Å; R579-E581 IonicContact NE-OE1 2.78Å; R579-E581 PolarHBondContact NE-OE1 2.66Å; R579-E581 IonicContact NH2-OE1 2.64Å; R579-E581 PolarHBondContact NH2-OE1 3.49Å
580R56.6Low47.7Very low242 Ų242184.4 Ų184.491%0.91385%0.854SS**  trans-124.2134.2156-93.5-171.4171.5175.6-3.1106.9A578A578-R580 PolarHBondContact O-N 3.31Å
581E53.7Low48.3Very low142 Ų142186.2 Ų186.266%0.66487%0.866SS**  trans-98.7135.8175.4-69.8159.7167.900108.2R579R579-E581 HydrophobicContact CG-CG 4.4Å; R579-E581 IonicContact CZ-OE1 3.11Å; R579-E581 IonicContact NE-OE1 2.78Å; R579-E581 PolarHBondContact NE-OE1 2.66Å; R579-E581 IonicContact NH2-OE1 2.64Å; R579-E581 PolarHBondContact NH2-OE1 3.49Å
582T46.9Very low48.8Very low216 Ų216186.7 Ų186.7100%1.32587%0.868SS**  trans-1560163.349.90000106.1

Retrieved 582 of 582 residues in 1365.2 ms (Link to these results)