A0A077Z3W3_TRITR Loading...

Pre-mRNA-splicing ATP-dependent RNA helicase prp2 8

AlphaFold DB , UniProt , Accession A0A077Z3W3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 377 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
1M44.1Very low56.4Low228 Ų228122.4 Ų122.4100%1.12368%0.682SS**  0120.40-71.3159.681.600107V3M1-V3 PolarHBondContact O-N 3.5Å
2V37.6Very low57.9Low147 Ų147123.9 Ų123.989%0.89168%0.677SS**  trans-83.1103173.4179.20000106.2
3V43.5Very low59.5Low120 Ų120122.1 Ų122.173%0.72767%0.665SS**  trans-80.5132173.8-179.70000107.8M1 G5M1-V3 PolarHBondContact O-N 3.5Å; V3-G5 PolarHBondContact O-N 3.42Å
4S44.6Very low60.9Low80 Ų80122.4 Ų122.456%0.55967%0.665SS**  trans-68.4115.2-166.2-53.30000112.1H6 D7S4-H6 PolarHBondContact O-N 3.48Å; S4-D7 PolarHBondContact O-N 3.37Å
5G55.4Low62.2Low57 Ų57119.4 Ų119.459%0.58865%0.652SS**THydrogen-bonded Turntrans-67.726179.200000116.3V3V3-G5 PolarHBondContact O-N 3.42Å
6H55.2Low63.4Low155 Ų155121.1 Ų121.172%0.71865%0.651SS**THydrogen-bonded Turntrans-96.6-30.3168.3-78.810.7000111.9S4 L9 A10S4-H6 PolarHBondContact O-N 3.48Å; H6-L9 PolarHBondContact O-N 3.09Å; H6-A10 PolarHBondContact O-N 3.36Å; H6-A10 VanDerWaalsContact O-N 3.11Å
7D58.5Low64.6Low110 Ų110119.1 Ų119.159%0.58864%0.644SS**Hα-helixtrans-69.2-37.6-179.7-63.2-31.5000111.5S4 L9 A10 Y11S4-D7 PolarHBondContact O-N 3.37Å; D7-L9 PolarHBondContact O-N 2.99Å; D7-A10 PolarHBondContact O-N 3.1Å; D7-Y11 WeakPolarHBondContact O-CB 3.26Å; D7-Y11 PolarHBondContact O-N 3.49Å
8D63.7Low65.6Low119 Ų119114.7 Ų114.764%0.63663%0.63SS**Hα-helixtrans-63.4-38.2175.5-73.7-29.8000112.8Y11 F12D8-Y11 PolarHBondContact O-N 3.14Å; D8-F12 WeakPolarHBondContact O-CB 3.41Å; D8-F12 PolarHBondContact O-N 3.08Å
9L70.1Confident66.5Low116 Ų116112.3 Ų112.361%0.60762%0.623SS**Hα-helixtrans-69.4-42.5177.4-165.799.7000110.7H6 D7 Y11 F12 L13H6-L9 PolarHBondContact O-N 3.09Å; D7-L9 PolarHBondContact O-N 2.99Å; L9-Y11 VanDerWaalsContact C-N 3.34Å; L9-F12 PolarHBondContact O-N 3.39Å; L9-L13 HydrophobicContact CD2-CD1 4.09Å; L9-L13 HydrophobicContact CG-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.77Å
10A74.1Confident67.4Low52 Ų52112.6 Ų112.643%0.4362%0.622SS.*Hα-helixtrans-60.5-44174.500000111.1H6 D7 L13 L14H6-A10 PolarHBondContact O-N 3.36Å; H6-A10 VanDerWaalsContact O-N 3.11Å; D7-A10 PolarHBondContact O-N 3.1Å; A10-L13 PolarHBondContact O-N 3.25Å; A10-L14 WeakPolarHBondContact O-CB 3.5Å; A10-L14 PolarHBondContact O-N 3.36Å
11Y73.9Confident68.3Low162 Ų162110.7 Ų110.764%0.63561%0.614SS**Hα-helixtrans-63.2-45.9176.1-167.2-93.7000112.2D7 D8 L9 L13 L14 V15D7-Y11 WeakPolarHBondContact O-CB 3.26Å; D7-Y11 PolarHBondContact O-N 3.49Å; D8-Y11 PolarHBondContact O-N 3.14Å; L9-Y11 VanDerWaalsContact C-N 3.34Å; Y11-L13 VanDerWaalsContact C-N 3.32Å; Y11-L13 PolarHBondContact O-N 2.95Å; Y11-L14 WeakPolarHBondContact O-CB 3.27Å; Y11-L14 PolarHBondContact O-N 3.12Å; Y11-V15 HydrophobicContact CD1-CG2 4Å; Y11-V15 HydrophobicContact CE1-CG2 3.71Å; Y11-V15 WeakPolarHBondContact O-CG2 3.5Å; Y11-V15 PolarHBondContact O-N 3.04Å
12F73.6Confident70.2Confident141 Ų141105 Ų10562%0.61859%0.588SS**Hα-helixtrans-61.5-38.6176.8-114.6-81.8000113D8 L9 K16D8-F12 WeakPolarHBondContact O-CB 3.41Å; D8-F12 PolarHBondContact O-N 3.08Å; L9-F12 PolarHBondContact O-N 3.39Å; F12-K16 WeakPolarHBondContact O-CB 3.45Å; F12-K16 PolarHBondContact O-N 3.08Å
13L78.8Confident72.3Confident100 Ų100101.3 Ų101.352%0.52457%0.565SS.*Hα-helixtrans-67.3-43.9174.4-73.2168.5000111.2L9 A10 Y11 V15 K16 V17L9-L13 HydrophobicContact CD2-CD1 4.09Å; L9-L13 HydrophobicContact CG-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.77Å; A10-L13 PolarHBondContact O-N 3.25Å; Y11-L13 VanDerWaalsContact C-N 3.32Å; Y11-L13 PolarHBondContact O-N 2.95Å; L13-V15 PolarHBondContact O-N 2.96Å; L13-K16 PolarHBondContact O-N 3.36Å; L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 2.71Å
14L79.2Confident74.1Confident127 Ų12799.2 Ų99.267%0.66555%0.553SS**Hα-helixtrans-58.1-45.4175.1-114.3162.6000112.1A10 Y11 G18A10-L14 WeakPolarHBondContact O-CB 3.5Å; A10-L14 PolarHBondContact O-N 3.36Å; Y11-L14 WeakPolarHBondContact O-CB 3.27Å; Y11-L14 PolarHBondContact O-N 3.12Å; L14-G18 PolarHBondContact O-N 3.37Å
15V80Confident75.9Confident77 Ų7799.9 Ų99.947%0.46755%0.55SS..Hα-helixtrans-65.2-42.8177.3172.30000111.5Y11 L13 S19Y11-V15 HydrophobicContact CD1-CG2 4Å; Y11-V15 HydrophobicContact CE1-CG2 3.71Å; Y11-V15 WeakPolarHBondContact O-CG2 3.5Å; Y11-V15 PolarHBondContact O-N 3.04Å; L13-V15 PolarHBondContact O-N 2.96Å; V15-S19 VanDerWaalsContact O-CB 3.3Å; V15-S19 WeakPolarHBondContact O-CB 3.25Å; V15-S19 PolarHBondContact O-N 2.94Å
16K81.6Confident77.1Confident146 Ų146101.8 Ų101.864%0.63555%0.546SS*.Hα-helixtrans-66.8-43.4177.3-80.5-169.4174.5-175.90112.9F12 L13 S19 L20F12-K16 WeakPolarHBondContact O-CB 3.45Å; F12-K16 PolarHBondContact O-N 3.08Å; L13-K16 PolarHBondContact O-N 3.36Å; K16-S19 PolarHBondContact O-N 2.89Å; K16-L20 PolarHBondContact O-N 3.4Å
17V83.6Confident78.1Confident88 Ų8898.4 Ų98.453%0.53354%0.536SS..Hα-helixtrans-65.6-44.3176.61730000110.3L13 S19 L20 V21L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 2.71Å; V17-S19 PolarHBondContact O-N 2.98Å; V17-L20 PolarHBondContact O-N 3.01Å; V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.07Å
18G83.8Confident78.7Confident39 Ų3998.6 Ų98.640%0.40254%0.535SS..Hα-helixtrans-58.6-43.4174.800000113L14 V21 L22L14-G18 PolarHBondContact O-N 3.37Å; G18-V21 PolarHBondContact O-N 2.92Å; G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 3.33Å
19S82.3Confident79.1Confident70 Ų7096.7 Ų96.749%0.4952%0.524SS..Hα-helixtrans-61.8-42.6174.3179.40000112.7V15 K16 V17 L22 T23V15-S19 VanDerWaalsContact O-CB 3.3Å; V15-S19 WeakPolarHBondContact O-CB 3.25Å; V15-S19 PolarHBondContact O-N 2.94Å; K16-S19 PolarHBondContact O-N 2.89Å; V17-S19 PolarHBondContact O-N 2.98Å; S19-L22 PolarHBondContact O-N 3Å; S19-T23 WeakPolarHBondContact O-CB 2.86Å; S19-T23 WeakPolarHBondContact O-CG2 3.45Å; S19-T23 PolarHBondContact O-N 3.41Å; S19-T23 PolarHBondContact O-OG1 2.74Å
20L84Confident78.8Confident117 Ų11794.9 Ų94.961%0.61352%0.518SS*.Hα-helixtrans-65.5-41.6177.3-163.384000111.9K16 V17 T23 T24K16-L20 PolarHBondContact O-N 3.4Å; V17-L20 PolarHBondContact O-N 3.01Å; L20-T23 WeakPolarHBondContact CA-OG1 3.16Å; L20-T23 PolarHBondContact O-OG1 2.96Å; L20-T23 VanDerWaalsContact O-OG1 3.07Å; L20-T24 WeakPolarHBondContact O-CB 3.41Å; L20-T24 WeakPolarHBondContact O-CG2 3.45Å; L20-T24 PolarHBondContact O-N 3.45Å; L20-T24 PolarHBondContact O-OG1 3.25Å
21V86.4Confident78.1Confident73 Ų7395.5 Ų95.544%0.44252%0.518SS..Hα-helixtrans-67.9-41.1176.81730000111.1V17 G18 T24 L25V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.07Å; G18-V21 PolarHBondContact O-N 2.92Å; V21-T24 WeakPolarHBondContact CA-OG1 3.28Å; V21-T24 PolarHBondContact O-OG1 2.74Å; V21-T24 VanDerWaalsContact O-OG1 3.06Å; V21-L25 HydrophobicContact CG1-CD1 3.93Å; V21-L25 WeakPolarHBondContact O-CB 3.39Å; V21-L25 WeakPolarHBondContact O-CG 3.16Å; V21-L25 PolarHBondContact O-N 2.75Å
22L85.1Confident77.3Confident110 Ų11093.1 Ų93.158%0.57652%0.516SS*.Hα-helixtrans-65.4-45.3177.7-168.876.6000111.8G18 S19 L25 L26G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 3.33Å; S19-L22 PolarHBondContact O-N 3Å; L22-L25 PolarHBondContact O-N 3.18Å; L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 VanDerWaalsContact O-CG 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.33Å
23T81.3Confident76.3Confident68 Ų6894.9 Ų94.942%0.41752%0.518SS..Hα-helixtrans-65.9-41.7179.247.60000112S19 L20 L26 V27S19-T23 WeakPolarHBondContact O-CB 2.86Å; S19-T23 WeakPolarHBondContact O-CG2 3.45Å; S19-T23 PolarHBondContact O-N 3.41Å; S19-T23 PolarHBondContact O-OG1 2.74Å; L20-T23 WeakPolarHBondContact CA-OG1 3.16Å; L20-T23 PolarHBondContact O-OG1 2.96Å; L20-T23 VanDerWaalsContact O-OG1 3.07Å; T23-L26 PolarHBondContact O-N 2.81Å; T23-V27 WeakPolarHBondContact O-CG2 3.12Å; T23-V27 PolarHBondContact O-N 3.44Å
24T81.8Confident74.8Confident77 Ų7793.8 Ų93.847%0.47252%0.518SS..Hα-helixtrans-66.5-39.4174.649.40000112.7L20 V21 V27 M28L20-T24 WeakPolarHBondContact O-CB 3.41Å; L20-T24 WeakPolarHBondContact O-CG2 3.45Å; L20-T24 PolarHBondContact O-N 3.45Å; L20-T24 PolarHBondContact O-OG1 3.25Å; V21-T24 WeakPolarHBondContact CA-OG1 3.28Å; V21-T24 PolarHBondContact O-OG1 2.74Å; V21-T24 VanDerWaalsContact O-OG1 3.06Å; T24-V27 PolarHBondContact O-N 3.37Å; T24-M28 WeakPolarHBondContact O-CB 3.21Å; T24-M28 VanDerWaalsContact O-CG 3.31Å; T24-M28 WeakPolarHBondContact O-CG 3.48Å; T24-M28 PolarHBondContact O-N 3.33Å
25L81.9Confident73.2Confident94 Ų9491.6 Ų91.649%0.49251%0.51SS..Hα-helixtrans-61.3-42.8171.6-80.4168.2000112.4V21 L22 M28 I29V21-L25 HydrophobicContact CG1-CD1 3.93Å; V21-L25 WeakPolarHBondContact O-CB 3.39Å; V21-L25 WeakPolarHBondContact O-CG 3.16Å; V21-L25 PolarHBondContact O-N 2.75Å; L22-L25 PolarHBondContact O-N 3.18Å; L25-M28 PolarHBondContact O-N 2.92Å; L25-I29 WeakPolarHBondContact O-CB 3.19Å; L25-I29 WeakPolarHBondContact O-CD1 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.24Å; L25-I29 PolarHBondContact O-N 3.33Å
26L80Confident71.3Confident96 Ų9689.3 Ų89.350%0.50350%0.502SS..Hα-helixtrans-63.9-42.8177-73.4170.1000112L22 T23 I29 T30L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 VanDerWaalsContact O-CG 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.33Å; T23-L26 PolarHBondContact O-N 2.81Å; L26-I29 PolarHBondContact O-N 3.48Å; L26-T30 WeakPolarHBondContact O-CG2 3.17Å; L26-T30 PolarHBondContact O-N 3.02Å; L26-T30 PolarHBondContact O-OG1 2.78Å; L26-T30 VanDerWaalsContact O-OG1 3.09Å
27V75.6Confident69.2Low85 Ų8591.1 Ų91.152%0.51551%0.505SS..Hα-helixtrans-62.7-41.8173.6171.90000111.1T23 T24 T30 C31T23-V27 WeakPolarHBondContact O-CG2 3.12Å; T23-V27 PolarHBondContact O-N 3.44Å; T24-V27 PolarHBondContact O-N 3.37Å; V27-T30 WeakPolarHBondContact CA-OG1 3.16Å; V27-T30 PolarHBondContact O-N 2.7Å; V27-T30 PolarHBondContact O-OG1 2.72Å; V27-T30 VanDerWaalsContact O-OG1 3.04Å; V27-C31 VanDerWaalsContact O-CB 3.22Å; V27-C31 WeakPolarHBondContact O-CB 3.47Å; V27-C31 PolarHBondContact O-N 3.19Å; V27-C31 PolarHBondContact O-SG 3.14Å
28M71.4Confident66.9Low113 Ų11391.8 Ų91.856%0.55751%0.506SS*.Hα-helixtrans-64.4-41.5175.8-73.8-64.3-70.800112T24 L25 L32T24-M28 WeakPolarHBondContact O-CB 3.21Å; T24-M28 VanDerWaalsContact O-CG 3.31Å; T24-M28 WeakPolarHBondContact O-CG 3.48Å; T24-M28 PolarHBondContact O-N 3.33Å; L25-M28 PolarHBondContact O-N 2.92Å; M28-L32 WeakPolarHBondContact O-CB 3.44Å; M28-L32 WeakPolarHBondContact O-CD1 3.4Å; M28-L32 WeakPolarHBondContact O-CG 3.31Å; M28-L32 PolarHBondContact O-N 3.42Å
29I73.1Confident64.5Low79 Ų7998.9 Ų98.941%0.40552%0.52SS..Hα-helixtrans-66.8-40.7177.5-69.4163.1000111.5L25 L26 R33L25-I29 WeakPolarHBondContact O-CB 3.19Å; L25-I29 WeakPolarHBondContact O-CD1 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.24Å; L25-I29 PolarHBondContact O-N 3.33Å; L26-I29 PolarHBondContact O-N 3.48Å; I29-R33 WeakPolarHBondContact O-CB 3.29Å; I29-R33 WeakPolarHBondContact O-CG 3.42Å; I29-R33 PolarHBondContact O-N 2.76Å
30T63Low62.2Low79 Ų79101.2 Ų101.249%0.48553%0.526SS..Hα-helixtrans-69.3-44.8176.5540000111.2L26 V27 L32 R33 C34L26-T30 WeakPolarHBondContact O-CG2 3.17Å; L26-T30 PolarHBondContact O-N 3.02Å; L26-T30 PolarHBondContact O-OG1 2.78Å; L26-T30 VanDerWaalsContact O-OG1 3.09Å; V27-T30 WeakPolarHBondContact CA-OG1 3.16Å; V27-T30 PolarHBondContact O-N 2.7Å; V27-T30 PolarHBondContact O-OG1 2.72Å; V27-T30 VanDerWaalsContact O-OG1 3.04Å; T30-L32 PolarHBondContact O-N 2.91Å; T30-R33 PolarHBondContact O-N 2.74Å; T30-C34 WeakPolarHBondContact O-CB 3.31Å; T30-C34 PolarHBondContact O-N 3.23Å; T30-C34 PolarHBondContact O-SG 3.24Å
31C59.1Low59.6Low65 Ų65103.9 Ų103.944%0.43953%0.528SS..Hα-helixtrans-58.7-44.7172.8-74.30000112.1V27 R33 C34 V35V27-C31 VanDerWaalsContact O-CB 3.22Å; V27-C31 WeakPolarHBondContact O-CB 3.47Å; V27-C31 PolarHBondContact O-N 3.19Å; V27-C31 PolarHBondContact O-SG 3.14Å; C31-R33 PolarHBondContact O-N 2.9Å; C31-C34 PolarHBondContact O-N 3.01Å; C31-V35 WeakPolarHBondContact O-CB 3.18Å; C31-V35 VanDerWaalsContact O-CG2 3.31Å; C31-V35 WeakPolarHBondContact O-CG2 3.44Å; C31-V35 PolarHBondContact O-N 2.92Å
32L57.7Low57Low112 Ų112105.4 Ų105.459%0.58654%0.538SS*.Hα-helixtrans-65.3-35.2175.7-75.4166.7000112.4M28 T30 G36M28-L32 WeakPolarHBondContact O-CB 3.44Å; M28-L32 WeakPolarHBondContact O-CD1 3.4Å; M28-L32 WeakPolarHBondContact O-CG 3.31Å; M28-L32 PolarHBondContact O-N 3.42Å; T30-L32 PolarHBondContact O-N 2.91Å; L32-G36 WeakPolarHBondContact O-CA 3.49Å; L32-G36 PolarHBondContact O-N 3.39Å
33R52.4Low54.4Low177 Ų177104.1 Ų104.167%0.66853%0.534SS*.Hα-helixtrans-70.5-35172.8-80.4179.7167166.1-2.9112.5I29 T30 C31 R37I29-R33 WeakPolarHBondContact O-CB 3.29Å; I29-R33 WeakPolarHBondContact O-CG 3.42Å; I29-R33 PolarHBondContact O-N 2.76Å; T30-R33 PolarHBondContact O-N 2.74Å; C31-R33 PolarHBondContact O-N 2.9Å; R33-R37 WeakPolarHBondContact O-CB 3.26Å; R33-R37 WeakPolarHBondContact O-CG 3.32Å; R33-R37 PolarHBondContact O-N 2.87Å
34C47.8Very low52Low77 Ų77104.3 Ų104.352%0.5254%0.543SS..Hα-helixtrans-69.5-47.8173.5-69.10000111.7T30 C31 G36 R37 N38T30-C34 WeakPolarHBondContact O-CB 3.31Å; T30-C34 PolarHBondContact O-N 3.23Å; T30-C34 PolarHBondContact O-SG 3.24Å; C31-C34 PolarHBondContact O-N 3.01Å; C34-G36 VanDerWaalsContact C-N 3.32Å; C34-G36 PolarHBondContact O-N 3.26Å; C34-R37 PolarHBondContact O-N 3.13Å; C34-N38 WeakPolarHBondContact O-CB 3.31Å; C34-N38 PolarHBondContact O-N 3.37Å
35V45.7Very low49.5Very low81 Ų81103.9 Ų103.949%0.49155%0.553SS.*Hα-helixtrans-64.2-37.6174.9173.10000111.2C31 N38 R39C31-V35 WeakPolarHBondContact O-CB 3.18Å; C31-V35 VanDerWaalsContact O-CG2 3.31Å; C31-V35 WeakPolarHBondContact O-CG2 3.44Å; C31-V35 PolarHBondContact O-N 2.92Å; V35-N38 PolarHBondContact O-N 2.87Å; V35-R39 WeakPolarHBondContact O-CB 3.37Å; V35-R39 WeakPolarHBondContact O-CG 3.47Å; V35-R39 PolarHBondContact O-N 2.92Å
36G39.9Very low46.9Very low29 Ų29107.7 Ų107.730%0.29957%0.566SS.*Hα-helixtrans-65.9-44.3175.200000112.9L32 C34 R39 L40L32-G36 WeakPolarHBondContact O-CA 3.49Å; L32-G36 PolarHBondContact O-N 3.39Å; C34-G36 VanDerWaalsContact C-N 3.32Å; C34-G36 PolarHBondContact O-N 3.26Å; G36-R39 PolarHBondContact O-N 3.15Å; G36-L40 WeakPolarHBondContact O-CB 3.14Å; G36-L40 WeakPolarHBondContact O-CG 3.42Å; G36-L40 PolarHBondContact O-N 3.03Å
37R38Very low44.3Very low185 Ų185113.3 Ų113.370%0.69858%0.581SS**Hα-helixtrans-66.7-37.2174.1-79176.5168.6168.3-4.3112.5R33 C34 R41R33-R37 WeakPolarHBondContact O-CB 3.26Å; R33-R37 WeakPolarHBondContact O-CG 3.32Å; R33-R37 PolarHBondContact O-N 2.87Å; C34-R37 PolarHBondContact O-N 3.13Å; R37-R41 WeakPolarHBondContact O-CG 3.39Å; R37-R41 PolarHBondContact O-N 2.95Å
38N35Very low41.9Very low102 Ų102120.9 Ų120.955%0.54560%0.6SS.*Hα-helixtrans-69.9-41.7174.8-72.5-3000111.6C34 V35 R41 V42C34-N38 WeakPolarHBondContact O-CB 3.31Å; C34-N38 PolarHBondContact O-N 3.37Å; V35-N38 PolarHBondContact O-N 2.87Å; N38-R41 PolarHBondContact O-N 3.45Å; N38-V42 VanDerWaalsContact O-CG2 3.32Å; N38-V42 WeakPolarHBondContact O-CG2 3.47Å; N38-V42 PolarHBondContact O-N 3.03Å
39R34Very low39.7Very low188 Ų188120.3 Ų120.371%0.70961%0.605SS**Hα-helixtrans-63-42.7172.5-82.1-172169.1-165.9-2.6112.3V35 G36 R41 V42 T43V35-R39 WeakPolarHBondContact O-CB 3.37Å; V35-R39 WeakPolarHBondContact O-CG 3.47Å; V35-R39 PolarHBondContact O-N 2.92Å; G36-R39 PolarHBondContact O-N 3.15Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 2.92Å; R39-V42 PolarHBondContact O-N 3.27Å; R39-T43 PolarHBondContact O-N 3.45Å; R39-T43 PolarHBondContact O-OG1 3.08Å
40L32.5Very low37.4Very low118 Ų118122.5 Ų122.562%0.61862%0.618SS**Hα-helixtrans-63.3-34.7175.3-83.3161.4000112.6G36 A44G36-L40 WeakPolarHBondContact O-CB 3.14Å; G36-L40 WeakPolarHBondContact O-CG 3.42Å; G36-L40 PolarHBondContact O-N 3.03Å; L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 3.35Å
41R30.6Very low35.6Very low174 Ų174123.3 Ų123.366%0.65763%0.625SS**Hα-helixtrans-71-38.1172.6-78.6-179.4167.8-176.2-6.9112.7R37 N38 R39 G45R37-R41 WeakPolarHBondContact O-CG 3.39Å; R37-R41 PolarHBondContact O-N 2.95Å; N38-R41 PolarHBondContact O-N 3.45Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 2.92Å; R41-G45 PolarHBondContact O-N 3.15Å
42V31.2Very low34.1Very low105 Ų105130.8 Ų130.864%0.63665%0.646SS**Hα-helixtrans-70.4-32.2176.51730000112.2N38 R39N38-V42 VanDerWaalsContact O-CG2 3.32Å; N38-V42 WeakPolarHBondContact O-CG2 3.47Å; N38-V42 PolarHBondContact O-N 3.03Å; R39-V42 PolarHBondContact O-N 3.27Å
43T31.3Very low32.6Very low83 Ų83133.4 Ų133.451%0.50965%0.652SS.*Hα-helixtrans-90.8-26.1177.658.60000114.4R39 G45 F46R39-T43 PolarHBondContact O-N 3.45Å; R39-T43 PolarHBondContact O-OG1 3.08Å; T43-G45 VanDerWaalsContact C-N 3.25Å; T43-G45 PolarHBondContact O-N 2.85Å; T43-F46 PolarHBondContact O-N 3.15Å
44A30.7Very low31.3Very low72 Ų72134.8 Ų134.860%0.59566%0.663SS**Hα-helixtrans-72.2-17.3173.700000113.4L40 F46L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 3.35Å; A44-F46 PolarHBondContact O-N 2.99Å
45G29.2Very low30.4Very low67 Ų67136.5 Ų136.569%0.69168%0.676SS**THydrogen-bonded Turntrans-73.7-8.7170.600000114.9R41 T43 W47R41-G45 PolarHBondContact O-N 3.15Å; T43-G45 VanDerWaalsContact C-N 3.25Å; T43-G45 PolarHBondContact O-N 2.85Å; G45-W47 PolarHBondContact O-N 3Å
46F27.1Very low29.5Very low175 Ų175144.1 Ų144.177%0.76870%0.696SS**  trans-100.844-173.5-97.2-88.3000113.9T43 A44T43-F46 PolarHBondContact O-N 3.15Å; A44-F46 PolarHBondContact O-N 2.99Å
47W24.3Very low28.8Very low214 Ų214150.9 Ų150.981%0.81172%0.72SS**  trans-139.390.5178.8-74.991000114.2G45G45-W47 PolarHBondContact O-N 3Å
48R26.3Very low28.2Very low243 Ų243153 Ų15392%0.91773%0.728SS**  trans-179.1155.6131.2-97164.8-167.1-136.61.7111.1
49P25.8Very low27.8Very low101 Ų101153.3 Ų153.366%0.65674%0.738SS**  trans-110.4179.5-130.813.88.1000114.8C51P49-C51 PolarHBondContact O-N 2.93Å; P49-C51 PolarHBondContact O-SG 3.49Å; P49-C51 VanDerWaalsContact O-SG 3.42Å
50D24.9Very low27.5Very low126 Ų126153.3 Ų153.367%0.67475%0.746SS**  trans-36.892.7171.7-73.5-97.7000114.5K53D50-K53 IonicContact OD1-NZ 2.75Å; D50-K53 PolarHBondContact OD1-NZ 2.86Å
51C24.9Very low27.1Very low95 Ų95151.6 Ų151.664%0.64275%0.749SS**  trans-128.52.4-179.8-740000115.6P49P49-C51 PolarHBondContact O-N 2.93Å; P49-C51 PolarHBondContact O-SG 3.49Å; P49-C51 VanDerWaalsContact O-SG 3.42Å
52Y26.7Very low26.8Very low223 Ų223150.8 Ų150.888%0.87576%0.757SS**  trans-13739.9170.9-79.2-74.4000114.7K54Y52-K54 PolarHBondContact O-N 2.86Å
53K26.1Very low26.6Very low166 Ų166154.6 Ų154.672%0.72277%0.768SS**  trans-72.3100.3151.7-84.9172176.8140.40108.5D50D50-K53 IonicContact OD1-NZ 2.75Å; D50-K53 PolarHBondContact OD1-NZ 2.86Å
54K26.4Very low26.4Very low207 Ų207156.5 Ų156.590%0.978%0.78SS**  trans137.973.4163.9-78.1169.7-178.5-179.70112.6Y52Y52-K54 PolarHBondContact O-N 2.86Å
55S27.3Very low26.3Very low113 Ų113160.3 Ų160.379%0.7979%0.79SS**SBendtrans-146.4130.7136.656.60000109.4
56R27.7Very low26.1Very low241 Ų241161.4 Ų161.491%0.90979%0.793SS**  trans-38.1132.8-178.8-70.5167.1172.1172.8-6112.6
57Q24.6Very low26.1Very low170 Ų170157.3 Ų157.379%0.79479%0.791SS**  cis64.7121.936.6-151.5-17333.800113.7
58R26.3Very low26.1Very low230 Ų230154.4 Ų154.487%0.86879%0.791SS**  trans83.2125.1-174.9-52176.7-177.8-166.3-3.2113.4
59S25.7Very low26.2Very low108 Ų108150.7 Ų150.776%0.75578%0.784SS**  cis8391.634-172.50000114
60E27.2Very low26.2Very low188 Ų188151 Ų15188%0.87979%0.785SS**  trans-174.1126.2151.3-97.3142.5-167.600103.8
61A24.4Very low26.2Very low82 Ų82151.2 Ų151.268%0.67879%0.79SS**  cis80.3120.344.300000113
62D24.9Very low26.3Very low157 Ų157152 Ų15284%0.8480%0.797SS**  trans69.2164.7158.6-57-35.6000121.7
63E27.7Very low26.3Very low185 Ų185149.4 Ų149.486%0.86479%0.793SS**  trans74.695.3175.3-54.3-169.9158.400116.3
64V26.3Very low26.4Very low124 Ų124147.1 Ų147.175%0.75280%0.795SS**  78.199.756.9-178.80000113.3
65D28.4Very low26.4Very low151 Ų151143.8 Ų143.881%0.80779%0.792SS**  172.5122.8129.9-93.4-21.3000108.4
66A25.1Very low26.2Very low91 Ų91142.1 Ų142.175%0.75279%0.785SS**  cis82.674.927.200000116.4
67A27.4Very low26.1Very low88 Ų88135.8 Ų135.873%0.72778%0.777SS**  trans-174.9113141.500000108.5
68N24.5Very low26.1Very low153 Ų153134.4 Ų134.482%0.81878%0.78SS**  66.915275.3-85.9-23.8000116
69H28Very low26.1Very low165 Ų165128.8 Ų128.876%0.76477%0.773SS**  trans86.4126.9-178.6-53.1-76.1000115.7
70T26.2Very low26.1Very low109 Ų109135.1 Ų135.167%0.66978%0.781SS**  cis-166.9145.8-5.15.80000110.9
71T24.9Very low25.9Very low129 Ų129132.1 Ų132.179%0.79178%0.776SS**  trans38.2138.2146570000120.8
72S27.3Very low25.9Very low111 Ų111139.6 Ų139.678%0.77679%0.786SS**  cis-169.3-168.3454.90000107.2
73Q26.3Very low25.8Very low170 Ų170137 Ų13779%0.79478%0.778SS**  cis-154147.66.6-162.5-179.939.100109
74P28.3Very low25.7Very low118 Ų118136.1 Ų136.177%0.76678%0.778SS**  trans-108.5135.6-172.837.1-29.5000114.8
75V25Very low25.4Very low137 Ų137133.9 Ų133.983%0.8377%0.768SS**  trans-144.1126.5170.3-177.60000113.6
76A24.9Very low25.1Very low78 Ų78133.9 Ų133.965%0.64577%0.768SS**  trans51.996.6153.500000121.8
77S24.6Very low25Very low108 Ų108137.7 Ų137.776%0.75577%0.768SS**  10.8119.9126.258.90000119.9
78V25.5Very low24.8Very low140 Ų140136.4 Ų136.485%0.84876%0.758SS**  trans-128.2102.9151.7-179.90000109.6
79P25.1Very low24.6Very low112 Ų112135.3 Ų135.373%0.72776%0.759SS**  trans-94.1120.916933.2-27000110.1
80R26.2Very low24.3Very low241 Ų241136 Ų13691%0.90976%0.76SS**  trans-153.6113.4156.9-116.9161.6-169.3165.53.6113.3
81T23Very low24.1Very low126 Ų126134.9 Ų134.977%0.77376%0.757SS**  trans-60.8147.2169.741.90000112.7
82R23.4Very low23.9Very low238 Ų238139.9 Ų139.990%0.89876%0.761SS**  -175.2163.3113.6-98.2-177.1-179.2-169.40.4111.6
83P23.2Very low23.8Very low103 Ų103139 Ų13967%0.66975%0.751SS**  trans-101.5156-143.438.2-37.1000114.8
84L25.4Very low23.6Very low166 Ų166137.3 Ų137.387%0.86975%0.752SS**  trans-119.782.7151.2-86.6161.5000108
85S21.7Very low23.7Very low77 Ų77139.7 Ų139.754%0.53875%0.746SS.*  trans-62.5162.3155.247.30000109.8
86D21.9Very low23.8Very low151 Ų151136.9 Ų136.981%0.80773%0.73SS**  trans90.315.6166.2-44.8-23.5000118.7
87F23.1Very low23.8Very low171 Ų171141 Ų14175%0.7574%0.742SS**  trans-102.697.9158-82.6-82.5000111.6
88A21.7Very low23.8Very low62 Ų62137.9 Ų137.951%0.51273%0.726SS.*  trans-71.7141.2178.600000112.2F90A88-F90 HydrophobicContact CB-CD2 4.33Å; A88-F90 HydrophobicContact CB-CE2 3.7Å; A88-F90 HydrophobicContact CB-CZ 4.06Å; A88-F90 WeakPolarHBondContact O-CD2 3.12Å; A88-F90 PolarHBondContact O-N 2.79Å; A88-F90 VanDerWaalsContact O-N 3.15Å
89P20.7Very low23.9Very low130 Ų130134.6 Ų134.684%0.84470%0.703SS**  trans-83.592.4-173.833.1-34.9000111.7S91P89-S91 PolarHBondContact O-N 2.88Å; P89-S91 VanDerWaalsContact O-N 3.08Å
90F22.9Very low23.9Very low178 Ų178137.2 Ų137.278%0.78171%0.706SS**  trans-83.788.6178.3-70.7-69.2000112.9A88A88-F90 HydrophobicContact CB-CD2 4.33Å; A88-F90 HydrophobicContact CB-CE2 3.7Å; A88-F90 HydrophobicContact CB-CZ 4.06Å; A88-F90 WeakPolarHBondContact O-CD2 3.12Å; A88-F90 PolarHBondContact O-N 2.79Å; A88-F90 VanDerWaalsContact O-N 3.15Å
91S21.4Very low23.9Very low87 Ų87134.6 Ų134.661%0.60870%0.696SS**  trans42.5115.3146.359.30000119.3P89 T93P89-S91 PolarHBondContact O-N 2.88Å; P89-S91 VanDerWaalsContact O-N 3.08Å; S91-T93 PolarHBondContact O-N 2.88Å
92R20.5Very low24.1Very low234 Ų234130.8 Ų130.888%0.88367%0.674SS**  trans-46.5107.6162.6-74.6177.7167.6175.2-6.7111.7
93T24.2Very low24.2Very low93 Ų93130.1 Ų130.157%0.57167%0.672SS**  trans-84.7114.1168.731.60000109.9S91S91-T93 PolarHBondContact O-N 2.88Å
94V23.3Very low24.3Very low133 Ų133126.1 Ų126.181%0.80665%0.646SS**PPolyproline II helixtrans-66.7142.3177-179.90000109.9
95R29.8Very low24.3Very low169 Ų169124.2 Ų124.264%0.63864%0.637SS**PPolyproline II helixtrans-50.3132.5174.4178179.2-179.7143.61.2111.1D97R95-D97 PolarHBondContact O-N 2.92Å
96P27Very low24.6Very low78 Ų78121.4 Ų121.451%0.50662%0.618SS.*PPolyproline II helixtrans-63.6122.4170-20.532.4000111G98P96-G98 PolarHBondContact O-N 2.84Å
97D25.4Very low24.9Very low165 Ų165117 Ų11788%0.88259%0.592SS**THydrogen-bonded Turntrans-64.1126.8168.8-72.7-41.5000109.7R95R95-D97 PolarHBondContact O-N 2.92Å
98G25.2Very low25.3Very low42 Ų42108.9 Ų108.943%0.43356%0.557SS.*THydrogen-bonded Turntrans113.210176.800000116.7P96 E100P96-G98 PolarHBondContact O-N 2.84Å; G98-E100 PolarHBondContact O-N 3.12Å
99L26.9Very low25.7Very low70 Ų70109.8 Ų109.837%0.36655%0.547SS..  trans-73.967.3172.7-142.5131.7000111.5
100E25.3Very low26.1Very low167 Ų167103.8 Ų103.878%0.7851%0.509SS*.  trans-69.7157.5175.3-66.5-170.715600111.7G98 S102G98-E100 PolarHBondContact O-N 3.12Å; E100-S102 PolarHBondContact O-N 2.92Å
101R26.4Very low26.4Very low187 Ų18799.9 Ų99.971%0.70649%0.489SS*.  trans-66.966.8-175.4-71.3175.8169.2167.4-5.6112.9R103 D335R101-R103 PolarHBondContact O-N 3.49Å; R101-D335 IonicContact CZ-OD2 3.16Å; R101-D335 IonicContact NH1-OD1 2.9Å; R101-D335 IonicContact NH1-OD2 3.8Å; R101-D335 PolarHBondContact NH1-OD2 3.03Å; R101-D335 IonicContact NH2-OD1 2.76Å; R101-D335 PolarHBondContact NH2-OD1 3.37Å; R101-D335 IonicContact NH2-OD2 2.72Å
102S26.6Very low26.8Very low45 Ų4597 Ų9732%0.31547%0.468SS..  trans-72.3117.1178.2173.30000111.6E100 S104 R244E100-S102 PolarHBondContact O-N 2.92Å; S102-S104 PolarHBondContact O-N 3.04Å; S102-S104 VanDerWaalsContact O-N 3.08Å; S102-R244 WeakPolarHBondContact CB-O 3.47Å; S102-R244 PolarHBondContact OG-O 3.49Å
103R25.3Very low27.1Very low225 Ų22586.8 Ų86.885%0.84944%0.436SS*.  trans-79.788-177.8-65.5179.1177-170.8-2.8110.6R101R101-R103 PolarHBondContact O-N 3.49Å
104S26.4Very low27.3Very low18 Ų1891 Ų9113%0.12645%0.446CS..  trans-113.5124.9166.732.70000110.2S102 S106 R244S102-S104 PolarHBondContact O-N 3.04Å; S102-S104 VanDerWaalsContact O-N 3.08Å; S104-S106 PolarHBondContact O-N 3.46Å; S104-R244 WeakPolarHBondContact OG-CB 3.31Å; S104-R244 PolarHBondContact OG-N 2.87Å
105N25.7Very low27.5Very low126 Ų12691.1 Ų91.167%0.67444%0.438SS*.  trans-96.173.1176-71-13.3000108.5R241N105-R241 PolarHBondContact OD1-NH2 3.4Å
106S28Very low27.3Very low19 Ų1991.3 Ų91.313%0.13345%0.446CS..EExtended strand (participates in β ladder)trans-122.614117433.40000109.2S104 L242S104-S106 PolarHBondContact O-N 3.46Å; S106-L242 WeakPolarHBondContact O-CB 3.36Å; S106-L242 PolarHBondContact O-N 2.84Å; S106-L242 VanDerWaalsContact OG-CB 3.31Å; S106-L242 WeakPolarHBondContact OG-CB 3.25Å
107E28Very low27.3Very low59 Ų5995 Ų9528%0.27646%0.462SS..EExtended strand (participates in β ladder)trans-126.6138.4-167.4-58.8-177.5-171.700109.6R239 V271E107-R239 IonicContact OE1-CZ 3.62Å; E107-R239 IonicContact OE1-NE 3.73Å; E107-R239 IonicContact OE1-NH2 2.91Å; E107-R239 PolarHBondContact OE1-NH2 3.23Å; E107-R239 IonicContact OE2-CZ 3.2Å; E107-R239 IonicContact OE2-NE 2.7Å; E107-R239 PolarHBondContact OE2-NE 2.89Å; E107-R239 IonicContact OE2-NH2 3.75Å; E107-R239 PolarHBondContact OE2-NH2 3.1Å; E107-V271 VanDerWaalsContact O-O 3.14Å
108I30.5Very low27.4Very low0 Ų094 Ų940%045%0.449CS..EExtended strand (participates in β ladder)trans-108.8141174.1-78.3162.2000107.5A110 M155 R239 S240 L242 T268 Y270I108-A110 HydrophobicContact CG2-CB 4.27Å; I108-M155 HydrophobicContact CD1-CE 3.51Å; I108-R239 CarbonylContact O-C 3.54Å; I108-R239 VanDerWaalsContact O-CA 3.31Å; I108-R239 WeakPolarHBondContact O-CA 3.13Å; I108-S240 VanDerWaalsContact CB-OG 3.32Å; I108-S240 WeakPolarHBondContact CB-OG 3.32Å; I108-S240 VanDerWaalsContact CG2-OG 3.26Å; I108-S240 WeakPolarHBondContact CG2-OG 3.34Å; I108-S240 PolarHBondContact N-O 2.95Å; I108-S240 PolarHBondContact O-N 2.87Å; I108-L242 HydrophobicContact CD1-CD1 4.04Å; I108-L242 HydrophobicContact CD1-CD2 3.46Å; I108-L242 VanDerWaalsContact CD1-CD2 3.46Å; I108-L242 HydrophobicContact CD1-CG 3.47Å; I108-L242 VanDerWaalsContact CD1-CG 3.47Å; I108-L242 HydrophobicContact CG1-CD1 3.86Å; I108-L242 HydrophobicContact CG1-CD2 4.24Å; I108-L242 HydrophobicContact CG1-CG 3.75Å; I108-T268 HydrophobicContact CG2-CG2 3.23Å; I108-Y270 HydrophobicContact CD1-CD1 4.32Å; I108-Y270 HydrophobicContact CD1-CE1 4.06Å; I108-Y270 HydrophobicContact CG1-CD1 3.85Å; I108-Y270 HydrophobicContact CG1-CE1 4.11Å
109Y30.4Very low27.4Very low81 Ų8194.2 Ų94.232%0.31845%0.452SS..EExtended strand (participates in β ladder)trans-109.8129.1162.5-66.4-88.7000109.3L237 H238 R239 V269 V271Y109-L237 HydrophobicContact CD1-CB 4.07Å; Y109-H238 WeakPolarHBondContact CA-O 3.43Å; Y109-R239 HydrophobicContact CD1-CB 4.48Å; Y109-R239 HydrophobicContact CE1-CB 4.25Å; Y109-R239 HydrophobicContact CE1-CG 4.33Å; Y109-V269 PolarHBondContact N-O 3.48Å; Y109-V269 VanDerWaalsContact N-O 3.15Å; Y109-V269 PolarHBondContact O-N 2.91Å; Y109-V269 VanDerWaalsContact O-O 3.11Å; Y109-V271 HydrophobicContact CD2-CB 4.2Å; Y109-V271 HydrophobicContact CD2-CG2 3.77Å; Y109-V271 HydrophobicContact CE2-CB 4.38Å; Y109-V271 HydrophobicContact CE2-CG2 4.31Å
110A29.9Very low27.4Very low4 Ų499.3 Ų99.33%0.03347%0.473CS..EExtended strand (participates in β ladder)trans-127.2131.2-176.900000110I108 H238 F264 T268I108-A110 HydrophobicContact CG2-CB 4.27Å; A110-H238 PolarHBondContact N-O 3.44Å; A110-H238 WeakPolarHBondContact O-CB 2.94Å; A110-H238 PolarHBondContact O-N 3.45Å; A110-F264 HydrophobicContact CB-CD2 4.3Å; A110-F264 HydrophobicContact CB-CE2 3.31Å; A110-F264 HydrophobicContact CB-CZ 3.66Å; A110-T268 HydrophobicContact CB-CG2 4.24Å
111Y28Very low27.4Very low96 Ų9698.8 Ų98.838%0.37647%0.466SS..EExtended strand (participates in β ladder)trans-70.3130.4-177176.8-96.9000111.1F235 F264 M265 G266 R267Y111-F235 HydrophobicContact CE2-CB 4.24Å; Y111-F235 AromaticContact CE2-CD1 3.64Å; Y111-F235 HydrophobicContact CE2-CD1 3.64Å; Y111-F235 HydrophobicContact CE2-CE1 4.27Å; Y111-F235 HydrophobicContact CE2-CG 4.1Å; Y111-F264 WeakPolarHBondContact O-CE2 3.49Å; Y111-M265 CarbonylContact O-C 3.5Å; Y111-G266 VanDerWaalsContact O-CA 3.31Å; Y111-G266 WeakPolarHBondContact O-CA 3.46Å; Y111-R267 PolarHBondContact N-O 3.45Å
112V29.1Very low27.4Very low26 Ų2696.9 Ų96.916%0.15847%0.468CS..  trans-109.293.3172.7-177.10000108.8K114 P236 H238 F264V112-K114 PolarHBondContact O-N 2.63Å; V112-P236 HydrophobicContact CB-CG 4.26Å; V112-P236 PolarHBondContact N-O 3.08Å; V112-P236 WeakPolarHBondContact O-CG 3.47Å; V112-H238 HydrophobicContact CG2-CB 3.75Å; V112-F264 HydrophobicContact CG2-CD2 4.29Å
113G27.2Very low27.5Very low20 Ų2098.2 Ų98.221%0.20648%0.478CS..  trans-63.7120.3176.600000111.5Q115 M265G113-Q115 PolarHBondContact O-N 3.19Å; G113-Q115 VanDerWaalsContact O-N 3.15Å; G113-M265 PolarHBondContact N-O 2.8Å
114K29Very low27.5Very low180 Ų18094.9 Ų94.978%0.78348%0.477SS*.  trans-66.8112.1171.2-82-174.1174.3178.60110V112 Q116V112-K114 PolarHBondContact O-N 2.63Å; K114-Q116 PolarHBondContact O-N 2.83Å
115Q27.5Very low27.5Very low136 Ų13697.8 Ų97.864%0.63649%0.49SS*.  trans-63.898.8157.2-77.5-174.9-15.400109.3G113G113-Q115 PolarHBondContact O-N 3.19Å; G113-Q115 VanDerWaalsContact O-N 3.15Å
116Q25.7Very low27.5Very low173 Ų17397 Ų9781%0.80849%0.494SS*.  trans-174.6136.1149.8-99.4145.938.400108.7K114K114-Q116 PolarHBondContact O-N 2.83Å
117N25.9Very low27.5Very low156 Ų156101.5 Ų101.583%0.83453%0.525SS*.  trans75.558178.5-53.6-18.2000117.7G119N117-G119 PolarHBondContact O-N 3.29Å
118F28.7Very low27.4Very low143 Ų143104.8 Ų104.863%0.62754%0.544SS*.G310 helixtrans-66.517.3162.7-92.1-85.8000114.9H120 Y121F118-H120 VanDerWaalsContact C-N 3.34Å; F118-H120 PolarHBondContact O-N 3.23Å; F118-Y121 AromaticContact CD1-CD2 3.48Å; F118-Y121 HydrophobicContact CD1-CD2 3.48Å; F118-Y121 VanDerWaalsContact CD1-CD2 3.48Å; F118-Y121 AromaticContact CD1-CE2 3.7Å; F118-Y121 HydrophobicContact CD1-CE2 3.7Å; F118-Y121 HydrophobicContact CD1-CG 4.17Å; F118-Y121 AromaticContact CE1-CD2 3.77Å; F118-Y121 HydrophobicContact CE1-CD2 3.77Å; F118-Y121 AromaticContact CE1-CE2 3.49Å; F118-Y121 HydrophobicContact CE1-CE2 3.49Å; F118-Y121 VanDerWaalsContact CE1-CE2 3.49Å; F118-Y121 HydrophobicContact CE1-CG 4.45Å; F118-Y121 AromaticContact CE1-CZ 3.98Å; F118-Y121 HydrophobicContact CG-CD2 4.46Å; F118-Y121 HydrophobicContact CZ-CE2 4.38Å
119G24.9Very low27.1Very low47 Ų47108 Ų10849%0.48557%0.565SS.*G310 helixtrans-74.9-12.1-173.400000116.2N117 L122N117-G119 PolarHBondContact O-N 3.29Å; G119-L122 WeakPolarHBondContact O-CD1 3.38Å
120H27.3Very low26.9Very low177 Ų177111.5 Ų111.582%0.81959%0.586SS**G310 helixtrans-123.613.6-174.2-72.8-73000115.3F118 L122F118-H120 VanDerWaalsContact C-N 3.34Å; F118-H120 PolarHBondContact O-N 3.23Å; H120-L122 PolarHBondContact O-N 3.34Å; H120-L122 VanDerWaalsContact O-N 3.08Å
121Y25.8Very low26.7Very low157 Ų157118.2 Ų118.262%0.61662%0.617SS**THydrogen-bonded Turntrans-66.5-0165.4-97.4-95.3000113.6F118 I125F118-Y121 AromaticContact CD1-CD2 3.48Å; F118-Y121 HydrophobicContact CD1-CD2 3.48Å; F118-Y121 VanDerWaalsContact CD1-CD2 3.48Å; F118-Y121 AromaticContact CD1-CE2 3.7Å; F118-Y121 HydrophobicContact CD1-CE2 3.7Å; F118-Y121 HydrophobicContact CD1-CG 4.17Å; F118-Y121 AromaticContact CE1-CD2 3.77Å; F118-Y121 HydrophobicContact CE1-CD2 3.77Å; F118-Y121 AromaticContact CE1-CE2 3.49Å; F118-Y121 HydrophobicContact CE1-CE2 3.49Å; F118-Y121 VanDerWaalsContact CE1-CE2 3.49Å; F118-Y121 HydrophobicContact CE1-CG 4.45Å; F118-Y121 AromaticContact CE1-CZ 3.98Å; F118-Y121 HydrophobicContact CG-CD2 4.46Å; F118-Y121 HydrophobicContact CZ-CE2 4.38Å; Y121-I125 HydrophobicContact CD1-CD1 3.82Å; Y121-I125 HydrophobicContact CE1-CD1 4.36Å
122L26.4Very low26.5Very low146 Ų146122.4 Ų122.476%0.76463%0.634SS**THydrogen-bonded Turntrans-90.6-8.2-157-96.9135000117.1G119 H120G119-L122 WeakPolarHBondContact O-CD1 3.38Å; H120-L122 PolarHBondContact O-N 3.34Å; H120-L122 VanDerWaalsContact O-N 3.08Å
123S26.8Very low26.4Very low74 Ų74127.2 Ų127.252%0.51766%0.658SS.*SBendtrans-121.5-18.5-165.9580000118.1C126S123-C126 PolarHBondContact O-SG 3.31Å
124N26.2Very low26.2Very low155 Ų155131.8 Ų131.883%0.82968%0.682SS**SBendtrans-131.116.8-171.8-79.8-35.8000114.9C126N124-C126 VanDerWaalsContact C-N 3.29Å
125I26.7Very low25.9Very low79 Ų79126.9 Ų126.941%0.40567%0.668SS.*  trans-92.111.6174.7-83.9-173.3000111.8Y121 S127 P129Y121-I125 HydrophobicContact CD1-CD1 3.82Å; Y121-I125 HydrophobicContact CE1-CD1 4.36Å; I125-S127 PolarHBondContact O-N 2.81Å; I125-P129 HydrophobicContact CB-CG 3.83Å; I125-P129 HydrophobicContact CD1-CG 4.02Å; I125-P129 HydrophobicContact CG1-CG 3.56Å; I125-P129 HydrophobicContact CG2-CG 3.59Å; I125-P129 WeakPolarHBondContact O-CD 3.13Å
126C26.2Very low25.8Very low110 Ų110123.1 Ų123.174%0.74366%0.661SS**  trans-71.730.2-161.6-57.10000117.7S123 N124S123-C126 PolarHBondContact O-SG 3.31Å; N124-C126 VanDerWaalsContact C-N 3.29Å
127S26.9Very low25.7Very low113 Ų113122.4 Ų122.479%0.7965%0.652SS**SBendtrans-149.3-47.7170.157.60000116.5I125I125-S127 PolarHBondContact O-N 2.81Å
128N25.1Very low25.7Very low127 Ų127116.7 Ų116.768%0.67962%0.624SS**  trans173.799.5160.2-101.8-42.6000113.4
129P25.5Very low25.5Very low69 Ų69114.5 Ų114.545%0.44862%0.616SS.*  trans-117.33.9168.932.7-18.2000113.9I125I125-P129 HydrophobicContact CB-CG 3.83Å; I125-P129 HydrophobicContact CD1-CG 4.02Å; I125-P129 HydrophobicContact CG1-CG 3.56Å; I125-P129 HydrophobicContact CG2-CG 3.59Å; I125-P129 WeakPolarHBondContact O-CD 3.13Å
130M26.4Very low25.6Very low153 Ų153116.9 Ų116.975%0.75462%0.616SS**  trans-92.13.1-173.8-102.5-166149.800115.8
131Q26Very low25.5Very low146 Ų146111.5 Ų111.568%0.68259%0.593SS**SBendtrans-90-3.5-170.8-102.5-178.5-5.600116.4
132Y23.8Very low25.5Very low184 Ų184111.5 Ų111.572%0.72260%0.599SS**SBendtrans-135.215.6-179.4-68.6-73.8000115.1V134Y132-V134 PolarHBondContact O-N 2.93Å
133D25.7Very low25.6Very low126 Ų126107 Ų10767%0.67458%0.576SS**  trans-75.467.1163.7-77.6-28000110P135D133-P135 WeakPolarHBondContact O-CD 3.45Å
134V23.6Very low25.6Very low116 Ų116110.8 Ų110.870%0.70359%0.59SS**  trans-69.6120.3163.5179.90000106.7Y132 A136Y132-V134 PolarHBondContact O-N 2.93Å; V134-A136 PolarHBondContact O-N 3.01Å; V134-A136 VanDerWaalsContact O-N 3.15Å
135P23.4Very low25.6Very low77 Ų77107.4 Ų107.450%0.559%0.592SS.*  trans-59.3123.8175.6-18.229.7000108.9D133 Y137D133-P135 WeakPolarHBondContact O-CD 3.45Å; P135-Y137 HydrophobicContact CB-CD2 4.22Å; P135-Y137 HydrophobicContact CB-CE1 4.42Å; P135-Y137 HydrophobicContact CB-CE2 3.85Å; P135-Y137 HydrophobicContact CG-CE2 4.04Å; P135-Y137 WeakPolarHBondContact O-CD2 3.37Å; P135-Y137 PolarHBondContact O-N 2.78Å
136A25.2Very low25.7Very low57 Ų57110 Ų11047%0.47160%0.602SS.*  trans-69.888.3169.200000108.1V134 S138V134-A136 PolarHBondContact O-N 3.01Å; V134-A136 VanDerWaalsContact O-N 3.15Å; A136-S138 VanDerWaalsContact C-N 3.33Å; A136-S138 PolarHBondContact O-N 3.12Å
137Y23.5Very low25.9Very low158 Ų158111.8 Ų111.862%0.6261%0.61SS**  trans-66.592.3176.2-68.6-80.8000109.4P135 Q139P135-Y137 HydrophobicContact CB-CD2 4.22Å; P135-Y137 HydrophobicContact CB-CE1 4.42Å; P135-Y137 HydrophobicContact CB-CE2 3.85Å; P135-Y137 HydrophobicContact CG-CE2 4.04Å; P135-Y137 WeakPolarHBondContact O-CD2 3.37Å; P135-Y137 PolarHBondContact O-N 2.78Å; Y137-Q139 PolarHBondContact O-N 2.78Å
138S25.5Very low26.2Very low36 Ų36108 Ų10825%0.25258%0.583SS.*  trans-62111.6158.6420000107.7A136 I140 S153A136-S138 VanDerWaalsContact C-N 3.33Å; A136-S138 PolarHBondContact O-N 3.12Å; S138-I140 VanDerWaalsContact C-N 3.33Å; S138-I140 PolarHBondContact O-N 3.08Å; S138-S153 WeakPolarHBondContact CB-OG 3.48Å
139Q25.2Very low26.4Very low98 Ų98107.1 Ų107.146%0.45858%0.578SS.*EExtended strand (participates in β ladder)trans-67.8100.8164.3-82.3-168-8.600107.2Y137 L141 S153 Q154Y137-Q139 PolarHBondContact O-N 2.78Å; Q139-L141 PolarHBondContact O-N 3.39Å; Q139-L141 VanDerWaalsContact O-N 3.16Å; Q139-S153 WeakPolarHBondContact O-CA 3Å; Q139-Q154 HydrophobicContact CB-CB 4.34Å; Q139-Q154 PolarHBondContact O-N 3.15Å
140I26.4Very low26.6Very low96 Ų96108.4 Ų108.449%0.49258%0.579SS.*EExtended strand (participates in β ladder)trans-72.4102.5171.4-61.1176.5000107S138 E142 L151S138-I140 VanDerWaalsContact C-N 3.33Å; S138-I140 PolarHBondContact O-N 3.08Å; I140-E142 HydrophobicContact CG2-CG 4.2Å; I140-E142 PolarHBondContact O-N 3.37Å; I140-E142 VanDerWaalsContact O-N 3.08Å; I140-L151 HydrophobicContact CG2-CB 4.31Å; I140-L151 HydrophobicContact CG2-CD1 3.86Å; I140-L151 HydrophobicContact CG2-CD2 3.78Å; I140-L151 HydrophobicContact CG2-CG 4.19Å
141L26.1Very low26.7Very low64 Ų64102.2 Ų102.234%0.33555%0.548SS..EExtended strand (participates in β ladder)trans-74.993.3167.7-80.3143.6000108.2Q139 N143 Y152 Y255Q139-L141 PolarHBondContact O-N 3.39Å; Q139-L141 VanDerWaalsContact O-N 3.16Å; L141-N143 PolarHBondContact O-N 3.48Å; L141-Y152 PolarHBondContact N-O 3.27Å; L141-Y255 HydrophobicContact CD1-CE1 4.4Å
142E25.9Very low26.9Very low157 Ų15798.7 Ų98.773%0.73453%0.529SS*.  trans-64.5120.2163.7-68.8-164.913200109I140 D144 L151I140-E142 HydrophobicContact CG2-CG 4.2Å; I140-E142 PolarHBondContact O-N 3.37Å; I140-E142 VanDerWaalsContact O-N 3.08Å; E142-D144 PolarHBondContact O-N 3.2Å; E142-L151 HydrophobicContact CG-CD2 4.45Å
143N27.4Very low27.3Very low53 Ų5390 Ų9028%0.28350%0.496SS..  trans-64.7106.5169.7-91.5-27.7000109.1L141 G145 S148L141-N143 PolarHBondContact O-N 3.48Å; N143-G145 PolarHBondContact O-N 3Å; N143-S148 PolarHBondContact ND2-OG 2.88Å
144D27.2Very low27.6Very low152 Ų15285.8 Ų85.881%0.81347%0.472SS*.THydrogen-bonded Turntrans-50.1104.8164.4-87.8-32.9000109.5E142 Q146E142-D144 PolarHBondContact O-N 3.2Å; D144-Q146 PolarHBondContact O-N 3.16Å
145G26.5Very low28.1Very low84 Ų8481.1 Ų81.187%0.86644%0.443SS*.THydrogen-bonded Turntrans78.112.6164.900000118.8N143N143-G145 PolarHBondContact O-N 3Å
146Q28.2Very low28.5Very low133 Ų13383.3 Ų83.362%0.62145%0.446SS*.  trans-115.7138.4173.8-70.1-162.9-5.300114.5D144 S148D144-Q146 PolarHBondContact O-N 3.16Å; Q146-S148 PolarHBondContact O-N 3.12Å
147T30.4Very low28.6Very low149 Ų14984.3 Ų84.391%0.91446%0.462SS*.  trans-73.521.2-17149.10000115.2
148S32.8Very low29Very low32 Ų3279.1 Ų79.122%0.22444%0.443CS..  trans-78.7132.7177.861.80000111.5N143 Q146 E150 K260N143-S148 PolarHBondContact ND2-OG 2.88Å; Q146-S148 PolarHBondContact O-N 3.12Å; S148-E150 PolarHBondContact O-N 3.25Å; S148-E150 VanDerWaalsContact O-N 3.12Å; S148-K260 VanDerWaalsContact O-CD 3.31Å; S148-K260 WeakPolarHBondContact O-CD 3.3Å; S148-K260 WeakPolarHBondContact O-CE 3.48Å; S148-K260 PolarHBondContact O-NZ 3.37Å
149D29.3Very low29.1Very low109 Ų10982.5 Ų82.558%0.58346%0.455SS*.SBendtrans-7514.7169-66.8-37.4000113.3Q259 K260D149-Q259 CarbonylContact O-C 3.56Å; D149-Q259 WeakPolarHBondContact O-CA 3.39Å; D149-K260 PolarHBondContact O-N 2.78Å
150E31.2Very low29.3Very low97 Ų9782.9 Ų82.945%0.45346%0.455SS..EExtended strand (participates in β ladder)trans-107.1136-177.9-62.1178.3169.900110.6S148 V257S148-E150 PolarHBondContact O-N 3.25Å; S148-E150 VanDerWaalsContact O-N 3.12Å; E150-V257 HydrophobicContact CB-CG1 4.11Å; E150-V257 HydrophobicContact CG-CG1 4.21Å
151L26.4Very low29.4Very low22 Ų2280.6 Ų80.612%0.11544%0.441CS..EExtended strand (participates in β ladder)trans-115.5138.6170-65.8170.9000109.3I140 E142 V257 I258 K260I140-L151 HydrophobicContact CG2-CB 4.31Å; I140-L151 HydrophobicContact CG2-CD1 3.86Å; I140-L151 HydrophobicContact CG2-CD2 3.78Å; I140-L151 HydrophobicContact CG2-CG 4.19Å; E142-L151 HydrophobicContact CG-CD2 4.45Å; L151-V257 WeakPolarHBondContact O-CA 3.41Å; L151-I258 WeakPolarHBondContact CB-O 3.3Å; L151-I258 PolarHBondContact N-O 3.38Å; L151-I258 PolarHBondContact O-N 2.93Å; L151-K260 HydrophobicContact CD1-CG 4Å; L151-K260 HydrophobicContact CD2-CD 4.44Å; L151-K260 HydrophobicContact CD2-CG 3.8Å; L151-K260 HydrophobicContact CG-CB 4.49Å; L151-K260 HydrophobicContact CG-CG 3.57Å
152Y32.1Very low29.5Very low72 Ų7281.3 Ų81.328%0.28245%0.445SS..EExtended strand (participates in β ladder)trans-99.4121.2173.5-68.2-97.1000108.7L141 V257L141-Y152 PolarHBondContact N-O 3.27Å; Y152-V257 HydrophobicContact CD1-CG2 4.21Å; Y152-V257 HydrophobicContact CE1-CG2 3.89Å
153S31.8Very low29.5Very low3 Ų378 Ų782%0.02143%0.432CS..EExtended strand (participates in β ladder)trans-105.9116.1175.4151.30000109.5S138 Q139 Y255 S256S138-S153 WeakPolarHBondContact CB-OG 3.48Å; Q139-S153 WeakPolarHBondContact O-CA 3Å; S153-Y255 WeakPolarHBondContact O-CA 3.21Å; S153-S256 WeakPolarHBondContact CB-OG 3.31Å; S153-S256 PolarHBondContact N-O 2.85Å; S153-S256 PolarHBondContact O-N 3.46Å; S153-S256 PolarHBondContact OG-OG 3.19Å
154Q32.5Very low29.6Very low37 Ų3777.8 Ų77.817%0.17343%0.431CS..EExtended strand (participates in β ladder)trans-73.8130.3166.9-170173.31.400109.4Q139 P253 Y255Q139-Q154 HydrophobicContact CB-CB 4.34Å; Q139-Q154 PolarHBondContact O-N 3.15Å; Q154-P253 HydrophobicContact CG-CB 4.15Å; Q154-Y255 HydrophobicContact CB-CD1 4.01Å; Q154-Y255 HydrophobicContact CB-CE1 3.78Å; Q154-Y255 HydrophobicContact CG-CD1 4.38Å; Q154-Y255 HydrophobicContact CG-CE1 3.92Å
155M33.8Very low29.6Very low17 Ų1777.4 Ų77.48%0.08442%0.418CS..  trans-103.3141.2-178.2-60.1-165-68.100112.6I108 L254 T268 Y270I108-M155 HydrophobicContact CD1-CE 3.51Å; M155-L254 HydrophobicContact CE-CB 4.34Å; M155-L254 PolarHBondContact N-O 2.88Å; M155-T268 HydrophobicContact CE-CG2 4.01Å; M155-T268 HydrophobicContact SD-CG2 3.55Å; M155-T268 VanDerWaalsContact SD-CG2 3.55Å; M155-Y270 HydrophobicContact CE-CE1 3.69Å; M155-Y270 WeakPolarHBondContact CE-OH 3.49Å
156H30.4Very low29.7Very low124 Ų12480.5 Ų80.557%0.57442%0.415SS*.  trans-131.6130.1178.3-74.7-9.1000110.4
157G28.1Very low29.8Very low78 Ų7877.9 Ų77.980%0.80440%0.404SS*.SBendtrans79.657.5168.300000116.9
158H31.6Very low29.7Very low49 Ų4974.6 Ų74.623%0.22739%0.387CS..  trans-131146.3-177.8-65.5-22.7000114.4Y270H158-Y270 HydrophobicContact CB-CE2 3.7Å
159E28.3Very low29.6Very low106 Ų10678 Ų7850%0.49541%0.409SS..  trans-79.4142.1-177.7-60.1169.4161.100112.2Y161 Y270E159-Y161 HydrophobicContact CB-CE2 3.74Å; E159-Y161 PolarHBondContact OE2-OH 3.19Å; E159-Y270 WeakPolarHBondContact O-CD2 3.41Å
160F28.9Very low29.7Very low107 Ų10779 Ų7947%0.46941%0.414SS..  trans-99.8130-179.6-61.6-92.5000112L217 L254 Y270F160-L217 HydrophobicContact CB-CD1 4.05Å; F160-L217 HydrophobicContact CB-CD2 4.27Å; F160-L217 HydrophobicContact CB-CG 4.05Å; F160-L217 HydrophobicContact CD2-CD1 4.05Å; F160-L217 HydrophobicContact CG-CD1 4.47Å; F160-L254 HydrophobicContact CE1-CD1 3.86Å; F160-L254 HydrophobicContact CZ-CD1 4.4Å; F160-Y270 HydrophobicContact CD1-CD2 4.13Å; F160-Y270 HydrophobicContact CD1-CE2 4.4Å; F160-Y270 HydrophobicContact CE1-CD2 4.41Å; F160-Y270 HydrophobicContact CE1-CE2 4.25Å
161Y28.7Very low29.7Very low47 Ų4781.8 Ų81.818%0.18443%0.432CS..  trans-116.9125.8175.8-63.3-92.3000109.9E159 S219 I221 V269E159-Y161 HydrophobicContact CB-CE2 3.74Å; E159-Y161 PolarHBondContact OE2-OH 3.19Å; Y161-S219 WeakPolarHBondContact CD1-O 3.33Å; Y161-S219 WeakPolarHBondContact CE1-O 3.49Å; Y161-I221 HydrophobicContact CD1-CD1 4.16Å; Y161-I221 HydrophobicContact CD1-CG1 4.17Å; Y161-I221 HydrophobicContact CE1-CD1 4.16Å; Y161-I221 HydrophobicContact CE1-CG1 4.15Å; Y161-V269 HydrophobicContact CD2-CG1 4.11Å
162D27.4Very low29.7Very low79 Ų7985.3 Ų85.342%0.42247%0.473SS..  trans-113136.6176.2-165.734.4000110S272D162-S272 WeakPolarHBondContact OD1-CB 3.36Å; D162-S272 PolarHBondContact OD1-OG 3.05Å
163N26.2Very low29.4Very low88 Ų8885.1 Ų85.147%0.47149%0.493SS..  trans55.681.2-176.9-46.9-72.7000115.1R165N163-R165 PolarHBondContact O-N 2.88Å
164I29.4Very low29Very low49 Ų4996.6 Ų96.625%0.25154%0.536SS..  trans-64.7115.2148.6-63.9-173.1000105.9V271I164-V271 HydrophobicContact CB-CG1 4.4Å; I164-V271 HydrophobicContact CD1-CB 4.31Å; I164-V271 HydrophobicContact CD1-CG1 3.73Å; I164-V271 HydrophobicContact CD1-CG2 3.6Å; I164-V271 HydrophobicContact CG1-CG1 4.06Å
165R28Very low28.7Very low143 Ų143102 Ų10254%0.5457%0.566SS.*  trans-77124.1161.2-77.1-176.9171.7-168.6-3.9106.6N163 I167N163-R165 PolarHBondContact O-N 2.88Å; R165-I167 HydrophobicContact CB-CD1 4.24Å; R165-I167 HydrophobicContact CB-CG1 3.61Å; R165-I167 PolarHBondContact O-N 2.94Å
166D29.2Very low28.2Very low149 Ų149111.5 Ų111.580%0.79761%0.607SS**  trans-68.879158.7-72.4-34.5000108S168D166-S168 PolarHBondContact O-N 2.97Å; D166-S168 VanDerWaalsContact O-N 3.12Å
167I28.5Very low27.9Very low79 Ų79108.7 Ų108.741%0.40561%0.605SS.*  trans-76.496.1168.2-54-174.1000106R165 K222R165-I167 HydrophobicContact CB-CD1 4.24Å; R165-I167 HydrophobicContact CB-CG1 3.61Å; R165-I167 PolarHBondContact O-N 2.94Å; I167-K222 HydrophobicContact CD1-CG 4.25Å; I167-K222 WeakPolarHBondContact CD1-O 3.39Å; I167-K222 WeakPolarHBondContact CG1-O 3.05Å
168S29.9Very low27.6Very low79 Ų79109.3 Ų109.355%0.55260%0.603SS**  trans-48.5129.8161.1-178.70000108.4D166 D170D166-S168 PolarHBondContact O-N 2.97Å; D166-S168 VanDerWaalsContact O-N 3.12Å; S168-D170 PolarHBondContact O-N 3.4Å; S168-D170 VanDerWaalsContact O-N 3.08Å
169P30.8Very low27.2Very low104 Ų104113.4 Ų113.468%0.67563%0.631SS**SBendtrans-57.9-27.8-176.2-1622.4000112.8
170D30.6Very low26.9Very low129 Ų129114.6 Ų114.669%0.6964%0.641SS**SBendtrans-99.885.9-176.9-62.4-46.1000111.9S168S168-D170 PolarHBondContact O-N 3.4Å; S168-D170 VanDerWaalsContact O-N 3.08Å
171N31Very low26.6Very low157 Ų157114.7 Ų114.784%0.8465%0.654SS**  -179.9115.6128.9-96.3-56.2000112G173N171-G173 PolarHBondContact O-N 2.65Å
172G26.7Very low26.2Very low95 Ų95122.2 Ų122.298%0.97968%0.684SS**  trans-69.591.5170.500000111.7
173G25.7Very low26Very low68 Ų68125.3 Ų125.370%0.70170%0.701SS**  trans-143.9118.6-178.100000112.5N171 N175N171-G173 PolarHBondContact O-N 2.65Å; G173-N175 PolarHBondContact O-N 2.72Å
174R23.8Very low25.9Very low245 Ų245126.9 Ų126.993%0.92570%0.701SS**  trans-57.8128.9173.8-64168.4175167.4-2.3109.9
175N25.3Very low25.6Very low151 Ų151129.4 Ų129.481%0.80772%0.72SS**  trans-152.7111.6146.7-97.4-32.6000112.5G173 A177G173-N175 PolarHBondContact O-N 2.72Å; N175-A177 PolarHBondContact O-N 2.97Å
176K23.3Very low25.4Very low215 Ų215131.5 Ų131.594%0.93573%0.733SS**  trans-76.491.6167.5-72179.2175.8-179.70108.3A178K176-A178 PolarHBondContact O-N 3.18Å
177A24.3Very low25.1Very low65 Ų65132.8 Ų132.854%0.53773%0.732SS.*  trans-83.997.4167.900000109.1N175 V179N175-A177 PolarHBondContact O-N 2.97Å; A177-V179 PolarHBondContact O-N 3.31Å
178A21.5Very low24.8Very low91 Ų91133.6 Ų133.675%0.75275%0.745SS**  trans-72.5112.7165.800000108.1K176 N180K176-A178 PolarHBondContact O-N 3.18Å; A178-N180 PolarHBondContact O-N 2.95Å
179V24.4Very low24.5Very low136 Ų136135.7 Ų135.782%0.82476%0.757SS**  trans-89.4103.6177-178.40000108A177A177-V179 PolarHBondContact O-N 3.31Å
180N22.2Very low24.1Very low131 Ų131137.6 Ų137.670%0.70176%0.76SS**  trans-65.7139.8174.7-75.9-22.4000110.8A178A178-N180 PolarHBondContact O-N 2.95Å
181S21.1Very low23.9Very low108 Ų108137 Ų13776%0.75576%0.763SS**  trans-35.1123.9172.550.70000116.1
182Y21.4Very low23.6Very low206 Ų206135.8 Ų135.881%0.80876%0.756SS**  trans-142.3153.2154.2-84.8-73.2000111.3Y184Y182-Y184 PolarHBondContact O-N 2.78Å
183D22.8Very low23.5Very low144 Ų144140.6 Ų140.677%0.7775%0.75SS**PPolyproline II helixtrans-66.1117.6-153.6-65.6-75.5000116.1
184Y23.6Very low23.5Very low121 Ų121143 Ų14348%0.47575%0.753SS.*PPolyproline II helixtrans-90.4156.2150.7-80.6-111.2000109.1Y182 K186 R274Y182-Y184 PolarHBondContact O-N 2.78Å; Y184-K186 PolarHBondContact O-N 3.05Å; Y184-R274 VanDerWaalsContact OH-CZ 3.25Å; Y184-R274 PolarHBondContact OH-NH1 3.02Å; Y184-R274 PolarHBondContact OH-NH2 2.87Å
185P23.8Very low23.6Very low101 Ų101142.6 Ų142.666%0.65675%0.752SS**PPolyproline II helixtrans-53.7119.9160.925.2-33.2000108.2F187P185-F187 VanDerWaalsContact C-N 3.28Å; P185-F187 PolarHBondContact O-N 2.84Å
186K22.7Very low23.6Very low188 Ų188139.9 Ų139.982%0.81774%0.743SS**  trans-65.284.9-176.8-71176.7179.5171.40110.5Y184 S188Y184-K186 PolarHBondContact O-N 3.05Å; K186-S188 PolarHBondContact O-N 2.79Å; K186-S188 VanDerWaalsContact O-N 3.09Å
187F23.8Very low23.7Very low176 Ų176135.1 Ų135.177%0.77274%0.736SS**  trans-58.5110.5147.2-69.2-75.4000105.6P185 P189P185-F187 VanDerWaalsContact C-N 3.28Å; P185-F187 PolarHBondContact O-N 2.84Å; F187-P189 WeakPolarHBondContact O-CD 3.47Å
188S21.4Very low23.8Very low96 Ų96138.4 Ų138.467%0.67175%0.745SS**  trans-55.4122.8-175.739.70000108.8K186 L190K186-S188 PolarHBondContact O-N 2.79Å; K186-S188 VanDerWaalsContact O-N 3.09Å; S188-L190 VanDerWaalsContact C-N 3.28Å; S188-L190 PolarHBondContact O-N 3.18Å
189P24.6Very low24.1Very low123 Ų123137.5 Ų137.580%0.79974%0.737SS**  trans-68.494.5175.727.5-32.6000107.7F187F187-P189 WeakPolarHBondContact O-CD 3.47Å
190L22.9Very low24.2Very low143 Ų143139.1 Ų139.175%0.74974%0.736SS**  trans-54.7133.4161.6-77.2169.4000106.8S188 L192S188-L190 VanDerWaalsContact C-N 3.28Å; S188-L190 PolarHBondContact O-N 3.18Å; L190-L192 PolarHBondContact O-N 3.09Å
191P25Very low24.3Very low117 Ų117139.6 Ų139.676%0.7674%0.743SS**  trans-58.6119.1-171.721.7-32.7000109.9K193P191-K193 PolarHBondContact O-N 2.77Å
192L26Very low24.6Very low132 Ų132142.4 Ų142.469%0.69175%0.749SS**  trans-57.2106.5179.2-68.1169.2000108.9L190 Y218L190-L192 PolarHBondContact O-N 3.09Å; L192-Y218 HydrophobicContact CD1-CE2 4.44Å; L192-Y218 HydrophobicContact CD2-CE2 3.96Å
193K24.4Very low24.8Very low196 Ų196138.8 Ų138.885%0.85275%0.748SS**PPolyproline II helixtrans-65.9128.7167.5-75.5-176.3177.5177.50107.5P191 R195P191-K193 PolarHBondContact O-N 2.77Å; K193-R195 PolarHBondContact O-N 3.34Å
194P24.7Very low24.9Very low117 Ų117136 Ų13676%0.7675%0.745SS**PPolyproline II helixtrans-59.4135174.125.1-33000109.1
195R26.5Very low25Very low237 Ų237138.8 Ų138.889%0.89476%0.76SS**PPolyproline II helixtrans-52.8121.3174.8-179.6176.6-179.8160.60.1108.4K193 S197K193-R195 PolarHBondContact O-N 3.34Å; R195-S197 PolarHBondContact O-N 2.95Å; R195-S197 VanDerWaalsContact O-N 3.12Å
196P24.3Very low25Very low95 Ų95142.4 Ų142.462%0.61777%0.768SS**PPolyproline II helixtrans-61.7119.9179.223.4-31.7000109N198 A199P196-N198 PolarHBondContact O-N 3.07Å; P196-N198 VanDerWaalsContact O-N 3.16Å; P196-A199 HydrophobicContact CG-CB 4.32Å
197S25.5Very low25.1Very low114 Ų114138.9 Ų138.980%0.79777%0.766SS**THydrogen-bonded Turntrans-68-13.2-173.853.40000113.9R195R195-S197 PolarHBondContact O-N 2.95Å; R195-S197 VanDerWaalsContact O-N 3.12Å
198N27.5Very low25.1Very low135 Ų135134.4 Ų134.472%0.72276%0.762SS**THydrogen-bonded Turntrans-126.337.6-168.1-57.118.3000111.4P196 E200P196-N198 PolarHBondContact O-N 3.07Å; P196-N198 VanDerWaalsContact O-N 3.16Å; N198-E200 PolarHBondContact O-N 3.33Å
199A27.2Very low25.3Very low71 Ų71136.7 Ų136.759%0.58777%0.766SS**  trans-79.815.6-17700000114.8P196P196-A199 HydrophobicContact CG-CB 4.32Å
200E26Very low25.2Very low171 Ų171135.3 Ų135.380%0.79977%0.774SS**THydrogen-bonded Turntrans-65.2133.1158.7-64.2-179.7168.800108N198N198-E200 PolarHBondContact O-N 3.33Å
201T25.9Very low25.2Very low140 Ų140133.5 Ų133.586%0.85977%0.773SS**THydrogen-bonded Turntrans72.853.6178.969.20000118.8
202L27Very low25.1Very low167 Ų167132.1 Ų132.187%0.87477%0.766SS**  trans-121.9112.8151.5-82.8167.3000111.7
203T25.5Very low25Very low130 Ų130136.1 Ų136.180%0.79878%0.778SS**  trans-77.2139.9-176.944.70000112.1K205T203-K205 PolarHBondContact O-N 3.16Å
204A24.1Very low25Very low85 Ų85134.1 Ų134.170%0.70277%0.771SS**  trans-63.2106.5-179.400000112.3
205K25.7Very low25.1Very low180 Ų180133.7 Ų133.778%0.78377%0.771SS**  trans-134.9128.2162.3-82.6-173.3176178.20110.5T203T203-K205 PolarHBondContact O-N 3.16Å
206Q24.7Very low24.9Very low178 Ų178128 Ų12883%0.83276%0.755SS**  trans67.470.6156.3-61.5172.3-33.300118A208Q206-A208 VanDerWaalsContact C-N 3.34Å
207C24.6Very low24.9Very low114 Ų114127.4 Ų127.477%0.7775%0.746SS**  trans-10048.8146.2-71.10000111N209C207-N209 PolarHBondContact O-N 3.08Å
208A23Very low24.7Very low82 Ų82131.2 Ų131.268%0.67874%0.744SS**  trans-88.287.1169.100000108.7Q206Q206-A208 VanDerWaalsContact C-N 3.34Å
209N26Very low24.4Very low144 Ų144128.2 Ų128.277%0.7773%0.734SS**SBendtrans168.773.1158.6-88.1-18.6000111.3C207 S211C207-N209 PolarHBondContact O-N 3.08Å; N209-S211 WeakPolarHBondContact O-CB 3.35Å; N209-S211 PolarHBondContact O-N 2.63Å; N209-S211 PolarHBondContact O-OG 3.06Å
210G23.7Very low24.2Very low94 Ų94129.4 Ų129.497%0.96974%0.744SS**SBendtrans49.916.7149.600000121.1
211S22.4Very low24.2Very low104 Ų104123.3 Ų123.373%0.72772%0.716SS**  trans-138.356.2-166.452.60000112.6N209N209-S211 WeakPolarHBondContact O-CB 3.35Å; N209-S211 PolarHBondContact O-N 2.63Å; N209-S211 PolarHBondContact O-OG 3.06Å
212C22Very low24.1Very low88 Ų88123.3 Ų123.360%0.59570%0.704SS**  trans-123.170.4-179.9-59.50000112.6
213F25.4Very low24Very low216 Ų216116.1 Ų116.195%0.94767%0.668SS**  trans-102.382.5153.3-86.3-84.1000108
214E24.3Very low24.2Very low154 Ų154114.2 Ų114.272%0.7266%0.656SS**  trans-82120.9166.6-75.3-158.1143.500110H216E214-H216 PolarHBondContact O-N 3.32Å; E214-H216 IonicContact OE2-CD2 4Å; E214-H216 IonicContact OE2-CE1 3.01Å; E214-H216 IonicContact OE2-NE2 3.08Å; E214-H216 PolarHBondContact OE2-NE2 2.93Å
215S25.4Very low24.4Very low108 Ų108114 Ų11476%0.75565%0.646SS**  trans-86.783.9178.159.80000111.3L217S215-L217 PolarHBondContact O-N 2.81Å
216H23.9Very low24.6Very low118 Ų118110 Ų11055%0.54663%0.633SS.*  trans-86.684.9169.1-64.6-64.7000110.1E214E214-H216 PolarHBondContact O-N 3.32Å; E214-H216 IonicContact OE2-CD2 4Å; E214-H216 IonicContact OE2-CE1 3.01Å; E214-H216 IonicContact OE2-NE2 3.08Å; E214-H216 PolarHBondContact OE2-NE2 2.93Å
217L22.9Very low24.9Very low83 Ų83106.4 Ų106.444%0.43562%0.619SS.*  trans-83.2167.7154.1-93.186.4000109.5F160 S215F160-L217 HydrophobicContact CB-CD1 4.05Å; F160-L217 HydrophobicContact CB-CD2 4.27Å; F160-L217 HydrophobicContact CB-CG 4.05Å; F160-L217 HydrophobicContact CD2-CD1 4.05Å; F160-L217 HydrophobicContact CG-CD1 4.47Å; S215-L217 PolarHBondContact O-N 2.81Å
218Y21.2Very low25.1Very low193 Ų193107.5 Ų107.576%0.75762%0.617SS**  trans8679.7174.5-48.4-71.4000117.4L192L192-Y218 HydrophobicContact CD1-CE2 4.44Å; L192-Y218 HydrophobicContact CD2-CE2 3.96Å
219S22.2Very low25.4Very low73 Ų73109.1 Ų109.151%0.5161%0.613SS.*  -140.1135.5129.468.80000109.8Y161 I221Y161-S219 WeakPolarHBondContact CD1-O 3.33Å; Y161-S219 WeakPolarHBondContact CE1-O 3.49Å; S219-I221 PolarHBondContact O-N 3.46Å
220A22.7Very low25.3Very low96 Ų96112 Ų11279%0.79362%0.619SS**  trans-85.5111.2-178.800000109.9K222A220-K222 PolarHBondContact O-N 3.39Å
221I25.7Very low25.4Very low43 Ų43109.4 Ų109.422%0.22159%0.593CS.*  trans-72.2114.3164.7-55.9177000106.3Y161 S219 S223 V269Y161-I221 HydrophobicContact CD1-CD1 4.16Å; Y161-I221 HydrophobicContact CD1-CG1 4.17Å; Y161-I221 HydrophobicContact CE1-CD1 4.16Å; Y161-I221 HydrophobicContact CE1-CG1 4.15Å; S219-I221 PolarHBondContact O-N 3.46Å; I221-S223 WeakPolarHBondContact CG2-O 3.33Å; I221-V269 HydrophobicContact CD1-CG1 4.5Å
222K23.7Very low25.4Very low139 Ų139111.1 Ų111.160%0.60461%0.605SS**  trans-89.7-20.6-167.3-120.7177-179.8-179.60112.3I167 A220 D226I167-K222 HydrophobicContact CD1-CG 4.25Å; I167-K222 WeakPolarHBondContact CD1-O 3.39Å; I167-K222 WeakPolarHBondContact CG1-O 3.05Å; A220-K222 PolarHBondContact O-N 3.39Å; K222-D226 VanDerWaalsContact C-OD2 3.32Å; K222-D226 WeakPolarHBondContact CA-OD2 3.37Å; K222-D226 WeakPolarHBondContact CB-OD2 3.4Å; K222-D226 PolarHBondContact N-OD2 3.42Å
223S25.4Very low25.4Very low17 Ų17109.9 Ų109.912%0.11960%0.597CS.*  trans-161.3157.9174.2175.50000110.3I221 T225 D226I221-S223 WeakPolarHBondContact CG2-O 3.33Å; S223-T225 VanDerWaalsContact CB-OG1 3.27Å; S223-T225 WeakPolarHBondContact CB-OG1 3.49Å; S223-T225 PolarHBondContact O-N 2.85Å; S223-T225 PolarHBondContact OG-N 3.11Å; S223-T225 PolarHBondContact OG-OG1 3.03Å; S223-D226 PolarHBondContact N-OD2 3.33Å; S223-D226 WeakPolarHBondContact O-CB 3.4Å; S223-D226 PolarHBondContact O-N 2.88Å
224V29.3Very low25.3Very low89 Ų89105.4 Ų105.454%0.53959%0.593SS.*G310 helixtrans-59.5-25.5165.3179.40000111.1D226 L227V224-D226 VanDerWaalsContact C-N 3.27Å; V224-D226 PolarHBondContact O-N 3.28Å; V224-L227 WeakPolarHBondContact O-CB 3.43Å; V224-L227 PolarHBondContact O-N 3.33Å
225T29.1Very low25.3Very low82 Ų82101.9 Ų101.950%0.50358%0.575SS.*G310 helixtrans-72.3-13.217363.60000113.8S223 L227 D228S223-T225 VanDerWaalsContact CB-OG1 3.27Å; S223-T225 WeakPolarHBondContact CB-OG1 3.49Å; S223-T225 PolarHBondContact O-N 2.85Å; S223-T225 PolarHBondContact OG-N 3.11Å; S223-T225 PolarHBondContact OG-OG1 3.03Å; T225-L227 PolarHBondContact O-N 3.42Å; T225-D228 VanDerWaalsContact O-CB 3.29Å; T225-D228 WeakPolarHBondContact O-CB 3.49Å; T225-D228 PolarHBondContact O-N 3.44Å
226D30.2Very low25.3Very low94 Ų9499.4 Ų99.450%0.50356%0.557SS.*G310 helixtrans-77.3-7.2173.2-64.1-32000112.5K222 S223 V224 D228K222-D226 VanDerWaalsContact C-OD2 3.32Å; K222-D226 WeakPolarHBondContact CA-OD2 3.37Å; K222-D226 WeakPolarHBondContact CB-OD2 3.4Å; K222-D226 PolarHBondContact N-OD2 3.42Å; S223-D226 PolarHBondContact N-OD2 3.33Å; S223-D226 WeakPolarHBondContact O-CB 3.4Å; S223-D226 PolarHBondContact O-N 2.88Å; V224-D226 VanDerWaalsContact C-N 3.27Å; V224-D226 PolarHBondContact O-N 3.28Å; D226-D228 PolarHBondContact O-N 3.49Å; D226-D228 VanDerWaalsContact O-N 3.08Å
227L29.4Very low25.5Very low103 Ų10398.2 Ų98.254%0.53955%0.554SS.*G310 helixtrans-76.128.3164.1-71.6158.3000111.6V224 T225 I229V224-L227 WeakPolarHBondContact O-CB 3.43Å; V224-L227 PolarHBondContact O-N 3.33Å; T225-L227 PolarHBondContact O-N 3.42Å; L227-I229 PolarHBondContact O-N 2.87Å
228D29.3Very low25.9Very low137 Ų13796.1 Ų96.173%0.73354%0.542SS*.  trans-70.863-179.4-127.4-0.3000111.9T225 D226 K230T225-D228 VanDerWaalsContact O-CB 3.29Å; T225-D228 WeakPolarHBondContact O-CB 3.49Å; T225-D228 PolarHBondContact O-N 3.44Å; D226-D228 PolarHBondContact O-N 3.49Å; D226-D228 VanDerWaalsContact O-N 3.08Å; D228-K230 VanDerWaalsContact C-N 3.26Å; D228-K230 PolarHBondContact O-N 3.2Å
229I29.2Very low26.3Very low116 Ų11694.4 Ų94.460%0.59553%0.534SS*.  trans-66.195.2158.9-56.4174.9000105.6L227 G231 F235L227-I229 PolarHBondContact O-N 2.87Å; I229-G231 PolarHBondContact O-N 3.35Å; I229-F235 HydrophobicContact CB-CE2 4.48Å
230K24.8Very low26.7Very low204 Ų20491.2 Ų91.289%0.88751%0.512SS*.SBendtrans-30.8110.2179.6-70.9179.1174.8179.10113D228D228-K230 VanDerWaalsContact C-N 3.26Å; D228-K230 PolarHBondContact O-N 3.2Å
231G25.7Very low27.1Very low41 Ų4194.1 Ų94.142%0.42350%0.502SS..SBendtrans121.884.1169.600000114.3I229 S233I229-G231 PolarHBondContact O-N 3.35Å; G231-S233 WeakPolarHBondContact O-CB 3.35Å; G231-S233 PolarHBondContact O-N 2.69Å; G231-S233 PolarHBondContact O-OG 2.74Å
232S22Very low27.5Very low139 Ų13992.8 Ų92.897%0.97250%0.495SS*.  trans33.137.8138.567.90000119.1
233S22.3Very low27.8Very low63 Ų6388.3 Ų88.344%0.44148%0.481SS..  trans-123.6111.8178.846.80000109.1G231 F235G231-S233 WeakPolarHBondContact O-CB 3.35Å; G231-S233 PolarHBondContact O-N 2.69Å; G231-S233 PolarHBondContact O-OG 2.74Å; S233-F235 VanDerWaalsContact O-CD2 3.25Å; S233-F235 WeakPolarHBondContact O-CD2 3.44Å; S233-F235 WeakPolarHBondContact O-CE2 3.32Å; S233-F235 PolarHBondContact O-N 3.15Å; S233-F235 VanDerWaalsContact OG-CZ 3.26Å; S233-F235 WeakPolarHBondContact OG-CZ 3.38Å
234S23.4Very low28.1Very low122 Ų12294.9 Ų94.985%0.85350%0.504SS*.  trans-68.598.6173.340.60000109.5
235F23.8Very low28Very low79 Ų7992.3 Ų92.335%0.34649%0.49SS..  trans-72126.9175.7-61.6-74.3000110.3Y111 I229 S233 L237Y111-F235 HydrophobicContact CE2-CB 4.24Å; Y111-F235 AromaticContact CE2-CD1 3.64Å; Y111-F235 HydrophobicContact CE2-CD1 3.64Å; Y111-F235 HydrophobicContact CE2-CE1 4.27Å; Y111-F235 HydrophobicContact CE2-CG 4.1Å; I229-F235 HydrophobicContact CB-CE2 4.48Å; S233-F235 VanDerWaalsContact O-CD2 3.25Å; S233-F235 WeakPolarHBondContact O-CD2 3.44Å; S233-F235 WeakPolarHBondContact O-CE2 3.32Å; S233-F235 PolarHBondContact O-N 3.15Å; S233-F235 VanDerWaalsContact OG-CZ 3.26Å; S233-F235 WeakPolarHBondContact OG-CZ 3.38Å; F235-L237 PolarHBondContact O-N 3.01Å; F235-L237 VanDerWaalsContact O-N 3.14Å
236P25.7Very low27.9Very low57 Ų5796.2 Ų96.237%0.3750%0.502SS..  trans-70.8110.2174.727.9-32000110.1V112V112-P236 HydrophobicContact CB-CG 4.26Å; V112-P236 PolarHBondContact N-O 3.08Å; V112-P236 WeakPolarHBondContact O-CG 3.47Å
237L27.6Very low27.6Very low92 Ų9295.3 Ų95.348%0.48250%0.496SS..EExtended strand (participates in β ladder)trans-88.2120.3171.4-66.8170.8000109.6Y109 F235 R239Y109-L237 HydrophobicContact CD1-CB 4.07Å; F235-L237 PolarHBondContact O-N 3.01Å; F235-L237 VanDerWaalsContact O-N 3.14Å; L237-R239 PolarHBondContact O-N 2.98Å
238H30.7Very low27.4Very low40 Ų4093.1 Ų93.119%0.18550%0.498CS..EExtended strand (participates in β ladder)trans-85.3111.9175.6-171.8-67.2000110.6Y109 A110 V112 S240Y109-H238 WeakPolarHBondContact CA-O 3.43Å; A110-H238 PolarHBondContact N-O 3.44Å; A110-H238 WeakPolarHBondContact O-CB 2.94Å; A110-H238 PolarHBondContact O-N 3.45Å; V112-H238 HydrophobicContact CG2-CB 3.75Å; H238-S240 PolarHBondContact O-N 3.29Å
239R30.2Very low27.1Very low157 Ų15795.4 Ų95.459%0.59251%0.509SS*.EExtended strand (participates in β ladder)trans-78.5114.8173.2-172.6-175.1-174.6-1663.5109.4E107 I108 Y109 L237E107-R239 IonicContact OE1-CZ 3.62Å; E107-R239 IonicContact OE1-NE 3.73Å; E107-R239 IonicContact OE1-NH2 2.91Å; E107-R239 PolarHBondContact OE1-NH2 3.23Å; E107-R239 IonicContact OE2-CZ 3.2Å; E107-R239 IonicContact OE2-NE 2.7Å; E107-R239 PolarHBondContact OE2-NE 2.89Å; E107-R239 IonicContact OE2-NH2 3.75Å; E107-R239 PolarHBondContact OE2-NH2 3.1Å; I108-R239 CarbonylContact O-C 3.54Å; I108-R239 VanDerWaalsContact O-CA 3.31Å; I108-R239 WeakPolarHBondContact O-CA 3.13Å; Y109-R239 HydrophobicContact CD1-CB 4.48Å; Y109-R239 HydrophobicContact CE1-CB 4.25Å; Y109-R239 HydrophobicContact CE1-CG 4.33Å; L237-R239 PolarHBondContact O-N 2.98Å
240S30.1Very low26.8Very low6 Ų694.4 Ų94.44%0.04251%0.511CS..EExtended strand (participates in β ladder)trans-119.2144.5174.9560000111.2I108 H238 V257I108-S240 VanDerWaalsContact CB-OG 3.32Å; I108-S240 WeakPolarHBondContact CB-OG 3.32Å; I108-S240 VanDerWaalsContact CG2-OG 3.26Å; I108-S240 WeakPolarHBondContact CG2-OG 3.34Å; I108-S240 PolarHBondContact N-O 2.95Å; I108-S240 PolarHBondContact O-N 2.87Å; H238-S240 PolarHBondContact O-N 3.29Å; S240-V257 WeakPolarHBondContact CB-O 3.5Å
241R32.1Very low27Very low156 Ų15690.2 Ų90.259%0.58951%0.505SS*.EExtended strand (participates in β ladder)trans-89.3129.3-175.8-167.4179.7-169.4162.29.1110.4N105N105-R241 PolarHBondContact OD1-NH2 3.4Å
242L32.7Very low27.1Very low15 Ų1592.7 Ų92.78%0.07951%0.505CS..EExtended strand (participates in β ladder)trans-80.3119.9171.3-85.9168.5000110.8S106 I108 L254 Y270S106-L242 WeakPolarHBondContact O-CB 3.36Å; S106-L242 PolarHBondContact O-N 2.84Å; S106-L242 VanDerWaalsContact OG-CB 3.31Å; S106-L242 WeakPolarHBondContact OG-CB 3.25Å; I108-L242 HydrophobicContact CD1-CD1 4.04Å; I108-L242 HydrophobicContact CD1-CD2 3.46Å; I108-L242 VanDerWaalsContact CD1-CD2 3.46Å; I108-L242 HydrophobicContact CD1-CG 3.47Å; I108-L242 VanDerWaalsContact CD1-CG 3.47Å; I108-L242 HydrophobicContact CG1-CD1 3.86Å; I108-L242 HydrophobicContact CG1-CD2 4.24Å; I108-L242 HydrophobicContact CG1-CG 3.75Å; L242-L254 HydrophobicContact CD2-CB 4.06Å; L242-L254 HydrophobicContact CD2-CD2 3.63Å; L242-L254 HydrophobicContact CD2-CG 4.38Å; L242-Y270 HydrophobicContact CD1-CD1 4.34Å
243S30.9Very low27.5Very low45 Ų4588.6 Ų88.632%0.31548%0.475SS..  trans-92.8107.416446.60000110.1S245S243-S245 PolarHBondContact O-N 3.27Å
244R31.5Very low28.1Very low156 Ų15687.9 Ų87.959%0.58947%0.466SS*.  trans-79.3108.5165.9-65.8-176.7175.2-168-3.6109.8S102 S104S102-R244 WeakPolarHBondContact CB-O 3.47Å; S102-R244 PolarHBondContact OG-O 3.49Å; S104-R244 WeakPolarHBondContact OG-CB 3.31Å; S104-R244 PolarHBondContact OG-N 2.87Å
245S27Very low28.6Very low35 Ų3584.1 Ų84.125%0.24543%0.433CS..  trans-59.1138.2153.7153.60000108.3S243 E252S243-S245 PolarHBondContact O-N 3.27Å; S245-E252 WeakPolarHBondContact CB-OE2 3.44Å; S245-E252 PolarHBondContact OG-OE2 3.29Å
246H27.3Very low29.1Very low163 Ų16380.5 Ų80.576%0.75542%0.418SS*.  trans-116.258.1-171.1-159.9-61.5000111.2
247I24.8Very low29.4Very low76 Ų7679.2 Ų79.239%0.3941%0.409SS..  trans-127104.8-178.5-53-178000111.1
248G24.2Very low29.7Very low57 Ų5775.6 Ų75.659%0.58839%0.39SS*.SBendtrans37112.9151.700000121.6C250G248-C250 PolarHBondContact O-N 3.42Å
249I23.7Very low29.7Very low185 Ų18579.4 Ų79.495%0.94941%0.408SS*.SBendtrans72.8-26.5143.7-52.5174000117
250C22.3Very low29.6Very low95 Ų9574.7 Ų74.764%0.64239%0.392SS*.SBendtrans-99143.8176.8-71.60000112.8G248 E252G248-C250 PolarHBondContact O-N 3.42Å; C250-E252 PolarHBondContact O-N 2.75Å
251P28Very low29.5Very low116 Ų11683.6 Ų83.675%0.75343%0.433SS*.  trans-73.395.7169.930.1-32.5000110
252E29.4Very low29.4Very low93 Ų9378.8 Ų78.844%0.43542%0.421SS..PPolyproline II helixtrans-73.2145.6176.2-68-172.3155.400111.9S245 C250S245-E252 WeakPolarHBondContact CB-OE2 3.44Å; S245-E252 PolarHBondContact OG-OE2 3.29Å; C250-E252 PolarHBondContact O-N 2.75Å
253P29.3Very low29.1Very low52 Ų5282.5 Ų82.534%0.33845%0.446SS..PPolyproline II helixtrans-66.3142.2-178.927.4-34.9000112.1Q154 Y255Q154-P253 HydrophobicContact CG-CB 4.15Å; P253-Y255 HydrophobicContact CG-CE2 3.84Å; P253-Y255 WeakPolarHBondContact CG-OH 3.17Å; P253-Y255 VanDerWaalsContact O-CD2 3.3Å; P253-Y255 WeakPolarHBondContact O-CD2 3.22Å; P253-Y255 WeakPolarHBondContact O-CE2 3.4Å
254L34.8Very low29.1Very low49 Ų4982.4 Ų82.426%0.25744%0.44SS..PPolyproline II helixtrans-81.4124.7174.7-65.7164000109.4M155 F160 L242 Y270M155-L254 HydrophobicContact CE-CB 4.34Å; M155-L254 PolarHBondContact N-O 2.88Å; F160-L254 HydrophobicContact CE1-CD1 3.86Å; F160-L254 HydrophobicContact CZ-CD1 4.4Å; L242-L254 HydrophobicContact CD2-CB 4.06Å; L242-L254 HydrophobicContact CD2-CD2 3.63Å; L242-L254 HydrophobicContact CD2-CG 4.38Å; L254-Y270 HydrophobicContact CB-CE1 4.21Å; L254-Y270 HydrophobicContact CD1-CD1 4.36Å; L254-Y270 HydrophobicContact CD1-CE1 3.57Å; L254-Y270 HydrophobicContact CD1-CE2 4.48Å; L254-Y270 HydrophobicContact CG-CE1 4.45Å
255Y33.8Very low29Very low42 Ų4280.7 Ų80.717%0.16544%0.44CS..EExtended strand (participates in β ladder)trans-101.6137176.4-62.1-86000110.3L141 S153 Q154 P253L141-Y255 HydrophobicContact CD1-CE1 4.4Å; S153-Y255 WeakPolarHBondContact O-CA 3.21Å; Q154-Y255 HydrophobicContact CB-CD1 4.01Å; Q154-Y255 HydrophobicContact CB-CE1 3.78Å; Q154-Y255 HydrophobicContact CG-CD1 4.38Å; Q154-Y255 HydrophobicContact CG-CE1 3.92Å; P253-Y255 HydrophobicContact CG-CE2 3.84Å; P253-Y255 WeakPolarHBondContact CG-OH 3.17Å; P253-Y255 VanDerWaalsContact O-CD2 3.3Å; P253-Y255 WeakPolarHBondContact O-CD2 3.22Å; P253-Y255 WeakPolarHBondContact O-CE2 3.4Å
256S34.4Very low29.1Very low3 Ų380.3 Ų80.32%0.02144%0.442CS..EExtended strand (participates in β ladder)trans-98.1137.9165.755.60000110.1S153S153-S256 WeakPolarHBondContact CB-OG 3.31Å; S153-S256 PolarHBondContact N-O 2.85Å; S153-S256 PolarHBondContact O-N 3.46Å; S153-S256 PolarHBondContact OG-OG 3.19Å
257V33Very low29.2Very low31 Ų3182.3 Ų82.319%0.18844%0.443CS..EExtended strand (participates in β ladder)trans-93.1119.1170.2-175.50000108.2E150 L151 Y152 S240E150-V257 HydrophobicContact CB-CG1 4.11Å; E150-V257 HydrophobicContact CG-CG1 4.21Å; L151-V257 WeakPolarHBondContact O-CA 3.41Å; Y152-V257 HydrophobicContact CD1-CG2 4.21Å; Y152-V257 HydrophobicContact CE1-CG2 3.89Å; S240-V257 WeakPolarHBondContact CB-O 3.5Å
258I34.3Very low29.6Very low15 Ų1579.2 Ų79.28%0.07743%0.427CS..EExtended strand (participates in β ladder)trans-119.1141.8-178.2-52.8177.3000107.8L151 F264L151-I258 WeakPolarHBondContact CB-O 3.3Å; L151-I258 PolarHBondContact N-O 3.38Å; L151-I258 PolarHBondContact O-N 2.93Å; I258-F264 HydrophobicContact CD1-CB 4.13Å; I258-F264 HydrophobicContact CD1-CD1 4.28Å; I258-F264 HydrophobicContact CD1-CG 4.12Å
259Q30.1Very low29.8Very low120 Ų12078.8 Ų78.856%0.56141%0.413SS*.EExtended strand (participates in β ladder)trans-73.8136.8177.9-170.2173.82.300110.8D149 T262D149-Q259 CarbonylContact O-C 3.56Å; D149-Q259 WeakPolarHBondContact O-CA 3.39Å; Q259-T262 PolarHBondContact O-N 3.46Å; Q259-T262 PolarHBondContact O-OG1 3.26Å; Q259-T262 VanDerWaalsContact O-OG1 3.12Å
260K28.4Very low30.2Very low59 Ų5971.1 Ų71.126%0.25737%0.372SS..THydrogen-bonded Turntrans-50.7145171.3-81.3-172.5178.9162.50109.8S148 D149 L151 T262S148-K260 VanDerWaalsContact O-CD 3.31Å; S148-K260 WeakPolarHBondContact O-CD 3.3Å; S148-K260 WeakPolarHBondContact O-CE 3.48Å; S148-K260 PolarHBondContact O-NZ 3.37Å; D149-K260 PolarHBondContact O-N 2.78Å; L151-K260 HydrophobicContact CD1-CG 4Å; L151-K260 HydrophobicContact CD2-CD 4.44Å; L151-K260 HydrophobicContact CD2-CG 3.8Å; L151-K260 HydrophobicContact CG-CB 4.49Å; L151-K260 HydrophobicContact CG-CG 3.57Å; K260-T262 PolarHBondContact O-N 2.81Å
261Q27.3Very low30.5Very low192 Ų19267.9 Ų67.990%0.89735%0.35SS*.THydrogen-bonded Turntrans69.52-178.5-47.1177.43.900116.4P263Q261-P263 WeakPolarHBondContact O-CD 3.33Å
262T29.9Very low30.6Very low56 Ų5664.3 Ų64.334%0.34433%0.328SS..  trans-95.6112.1174.7-320000110.3Q259 K260 F264Q259-T262 PolarHBondContact O-N 3.46Å; Q259-T262 PolarHBondContact O-OG1 3.26Å; Q259-T262 VanDerWaalsContact O-OG1 3.12Å; K260-T262 PolarHBondContact O-N 2.81Å; T262-F264 PolarHBondContact O-N 3.48Å
263P26.7Very low30.5Very low92 Ų9262.1 Ų62.160%0.59733%0.33SS*.  trans-69.4115.3179.327.1-33.2000110.4Q261Q261-P263 WeakPolarHBondContact O-CD 3.33Å
264F31.5Very low30.4Very low43 Ų4367 Ų6719%0.18934%0.342CS..  trans-94.4114.5176.3-180-106.8000110.9A110 Y111 V112 I258 T262 G266A110-F264 HydrophobicContact CB-CD2 4.3Å; A110-F264 HydrophobicContact CB-CE2 3.31Å; A110-F264 HydrophobicContact CB-CZ 3.66Å; Y111-F264 WeakPolarHBondContact O-CE2 3.49Å; V112-F264 HydrophobicContact CG2-CD2 4.29Å; I258-F264 HydrophobicContact CD1-CB 4.13Å; I258-F264 HydrophobicContact CD1-CD1 4.28Å; I258-F264 HydrophobicContact CD1-CG 4.12Å; T262-F264 PolarHBondContact O-N 3.48Å; F264-G266 WeakPolarHBondContact CZ-O 3.3Å
265M29.1Very low30Very low120 Ų12073.2 Ų73.259%0.59137%0.372SS*.  trans-136.3101170.8-62.5-162.384.100109.6Y111 G113Y111-M265 CarbonylContact O-C 3.5Å; G113-M265 PolarHBondContact N-O 2.8Å
266G28.4Very low29.5Very low28 Ų2879.3 Ų79.329%0.28940%0.399SS..SBendtrans173.8-179.217800000115.9Y111 F264Y111-G266 VanDerWaalsContact O-CA 3.31Å; Y111-G266 WeakPolarHBondContact O-CA 3.46Å; F264-G266 WeakPolarHBondContact CZ-O 3.3Å
267R30Very low29Very low205 Ų20583.7 Ų83.777%0.77443%0.428SS*.  trans-82.6139.1172.1-64.8-177.4-179.3179.40.3110Y111Y111-R267 PolarHBondContact N-O 3.45Å
268T32.8Very low28.6Very low11 Ų1193.3 Ų93.37%0.06746%0.462CS..EExtended strand (participates in β ladder)trans-94.9127.9171.6-52.60000109.5I108 A110 M155I108-T268 HydrophobicContact CG2-CG2 3.23Å; A110-T268 HydrophobicContact CB-CG2 4.24Å; M155-T268 HydrophobicContact CE-CG2 4.01Å; M155-T268 HydrophobicContact SD-CG2 3.55Å; M155-T268 VanDerWaalsContact SD-CG2 3.55Å
269V29.6Very low28.1Very low48 Ų4897.1 Ų97.129%0.29149%0.49SS..EExtended strand (participates in β ladder)trans-112.8123176.3-175.30000109Y109 Y161 I221 V271Y109-V269 PolarHBondContact N-O 3.48Å; Y109-V269 VanDerWaalsContact N-O 3.15Å; Y109-V269 PolarHBondContact O-N 2.91Å; Y109-V269 VanDerWaalsContact O-O 3.11Å; Y161-V269 HydrophobicContact CD2-CG1 4.11Å; I221-V269 HydrophobicContact CD1-CG1 4.5Å; V269-V271 HydrophobicContact CG1-CG2 4.5Å
270Y30.9Very low27.7Very low23 Ų2398.9 Ų98.99%0.0950%0.504CS..EExtended strand (participates in β ladder)trans-78.9131.5172.9-61.7-74.2000110.3I108 M155 H158 E159 F160 L242 L254I108-Y270 HydrophobicContact CD1-CD1 4.32Å; I108-Y270 HydrophobicContact CD1-CE1 4.06Å; I108-Y270 HydrophobicContact CG1-CD1 3.85Å; I108-Y270 HydrophobicContact CG1-CE1 4.11Å; M155-Y270 HydrophobicContact CE-CE1 3.69Å; M155-Y270 WeakPolarHBondContact CE-OH 3.49Å; H158-Y270 HydrophobicContact CB-CE2 3.7Å; E159-Y270 WeakPolarHBondContact O-CD2 3.41Å; F160-Y270 HydrophobicContact CD1-CD2 4.13Å; F160-Y270 HydrophobicContact CD1-CE2 4.4Å; F160-Y270 HydrophobicContact CE1-CD2 4.41Å; F160-Y270 HydrophobicContact CE1-CE2 4.25Å; L242-Y270 HydrophobicContact CD1-CD1 4.34Å; L254-Y270 HydrophobicContact CB-CE1 4.21Å; L254-Y270 HydrophobicContact CD1-CD1 4.36Å; L254-Y270 HydrophobicContact CD1-CE1 3.57Å; L254-Y270 HydrophobicContact CD1-CE2 4.48Å; L254-Y270 HydrophobicContact CG-CE1 4.45Å
271V28.9Very low27.6Very low27 Ų27101.8 Ų101.816%0.16453%0.528CS..EExtended strand (participates in β ladder)trans-122.5114.9173-178.40000109E107 Y109 I164 V269 G273E107-V271 VanDerWaalsContact O-O 3.14Å; Y109-V271 HydrophobicContact CD2-CB 4.2Å; Y109-V271 HydrophobicContact CD2-CG2 3.77Å; Y109-V271 HydrophobicContact CE2-CB 4.38Å; Y109-V271 HydrophobicContact CE2-CG2 4.31Å; I164-V271 HydrophobicContact CB-CG1 4.4Å; I164-V271 HydrophobicContact CD1-CB 4.31Å; I164-V271 HydrophobicContact CD1-CG1 3.73Å; I164-V271 HydrophobicContact CD1-CG2 3.6Å; I164-V271 HydrophobicContact CG1-CG1 4.06Å; V269-V271 HydrophobicContact CG1-CG2 4.5Å; V271-G273 VanDerWaalsContact C-N 3.28Å; V271-G273 PolarHBondContact O-N 2.9Å
272S29.4Very low27.3Very low42 Ų42102.8 Ų102.829%0.29453%0.525SS..  trans-70.185.1172.7-172.20000109.5D162 R274D162-S272 WeakPolarHBondContact OD1-CB 3.36Å; D162-S272 PolarHBondContact OD1-OG 3.05Å; S272-R274 PolarHBondContact O-N 2.86Å
273G28.6Very low27.1Very low47 Ų47107.5 Ų107.549%0.48555%0.547SS..  trans-69.551.7176.800000113.6V271 M275V271-G273 VanDerWaalsContact C-N 3.28Å; V271-G273 PolarHBondContact O-N 2.9Å; G273-M275 VanDerWaalsContact C-N 3.26Å; G273-M275 PolarHBondContact O-N 2.81Å
274R26.6Very low27Very low153 Ų153105 Ų10558%0.57754%0.538SS*.  trans-69.688.6170.5-84.6-172.5168.5166.31.5109Y184 S272 F276Y184-R274 VanDerWaalsContact OH-CZ 3.25Å; Y184-R274 PolarHBondContact OH-NH1 3.02Å; Y184-R274 PolarHBondContact OH-NH2 2.87Å; S272-R274 PolarHBondContact O-N 2.86Å; R274-F276 PolarHBondContact O-N 3.45Å
275M26.2Very low26.6Very low181 Ų181115.1 Ų115.189%0.89258%0.575SS**  trans-48.3109.7166.2-163.4173.6-167.500108.5G273G273-M275 VanDerWaalsContact C-N 3.26Å; G273-M275 PolarHBondContact O-N 2.81Å
276F23.7Very low26.4Very low169 Ų169117.9 Ų117.974%0.74159%0.59SS**  trans-58.4130170-89-93.4000107.6R274R274-F276 PolarHBondContact O-N 3.45Å
277P23.9Very low26.1Very low95 Ų95119.3 Ų119.362%0.61761%0.606SS**SBendtrans-66.9138.7169.131.6-34000108
278Y23.2Very low25.9Very low234 Ų234117.6 Ų117.692%0.91861%0.611SS**SBendtrans78.848.8171.3-42.2-71.1000118.8
279S24.4Very low25.4Very low95 Ų95125.3 Ų125.366%0.66465%0.652SS**  trans-141120.7153.460.60000111.4
280D22.5Very low25.3Very low157 Ų157126.7 Ų126.784%0.8468%0.676SS**  trans-64.9141.4178.8-68.5-49.8000111.7Y282D280-Y282 PolarHBondContact O-N 2.86Å; D280-Y282 VanDerWaalsContact O-N 3.09Å
281P24.9Very low25.1Very low119 Ų119133.8 Ų133.877%0.77372%0.715SS**  trans-70.5105.8175.828.5-33.3000110.6
282Y23Very low24.9Very low214 Ų214135.8 Ų135.884%0.83974%0.741SS**  trans-75.1126.4173.4179.6-100.3000111.2D280D280-Y282 PolarHBondContact O-N 2.86Å; D280-Y282 VanDerWaalsContact O-N 3.09Å
283I24.6Very low24.8Very low154 Ų154139.4 Ų139.479%0.7977%0.766SS**  trans-104.993.5177.8-55.5177.5000109.1
284G23.7Very low24.6Very low41 Ų41144.7 Ų144.742%0.42378%0.783SS.*  trans-80.2136.8168.500000111.4I286G284-I286 PolarHBondContact O-N 3.04Å
285R24Very low24.6Very low254 Ų254149 Ų14996%0.95880%0.8SS**  trans-74.2124172-75.3-175.7175.3-174.9-1.8110G287R285-G287 PolarHBondContact O-N 3.29Å
286I24.3Very low24.5Very low178 Ų178146.1 Ų146.191%0.91380%0.795SS**  trans-78.2109.5168.4-59.1172.3000107.2G284G284-I286 PolarHBondContact O-N 3.04Å
287G23.7Very low24.6Very low59 Ų59143.4 Ų143.461%0.60880%0.803SS**  trans169.261.5-176.300000113.9R285R285-G287 PolarHBondContact O-N 3.29Å
288D25.1Very low24.7Very low168 Ų168142.6 Ų142.690%0.89881%0.813SS**  trans-167.3101.2145.1-95.8-25000108.3
289L23.2Very low24.9Very low174 Ų174139.5 Ų139.591%0.91181%0.811SS**  trans-77.5127.2166.4-90.871.9000107.8
290G26Very low25.1Very low77 Ų77140.3 Ų140.379%0.79481%0.814SS**  trans-147.897178.700000112.1
291D27.8Very low25.3Very low171 Ų171138.2 Ų138.291%0.91481%0.812SS**  trans-1.7139.1174.4-84.1-43000121.3
292G23.8Very low25.3Very low69 Ų69138.2 Ų138.271%0.71181%0.814SS**  trans-81.4149.6166.400000112.8
293S27.1Very low25.6Very low118 Ų118133.2 Ų133.283%0.82581%0.808SS**  trans-175.1139.6136.944.50000113.2R295S293-R295 PolarHBondContact O-N 3.09Å
294N25.1Very low25.6Very low158 Ų158132.3 Ų132.385%0.84581%0.805SS**  trans-7.6113.3160.7-59.2-31000118.4
295R25.6Very low25.6Very low244 Ų244139 Ų13992%0.92183%0.825SS**  trans-161.5124138.7-114.8167.7-175.8-164.8-0.2112.9S293S293-R295 PolarHBondContact O-N 3.09Å
296P25.2Very low25.7Very low121 Ų121132.7 Ų132.779%0.78681%0.814SS**  trans-97.6161.1175.137.1-33.2000113.3
297A25.7Very low25.8Very low111 Ų111129.5 Ų129.592%0.91780%0.803SS**  trans65.8112.6162.800000118.8
298G26.3Very low25.9Very low79 Ų79133.4 Ų133.481%0.81481%0.805SS**  trans160.994.8167.700000113.3
299L26.1Very low25.9Very low169 Ų169135 Ų13589%0.88580%0.799SS**  trans-75.5-177.4166.1-66.4108.2000110.4
300P28.7Very low26Very low112 Ų112131.9 Ų131.973%0.72779%0.787SS**  -135.2156.7-61.738.1-23.8000112.2
301S28.2Very low26Very low113 Ų113137.6 Ų137.679%0.7979%0.785SS**  trans179.6125.5151.2510000115.1
302S24.7Very low26.1Very low119 Ų119137.4 Ų137.483%0.83278%0.778SS**  trans55.9155.9142.3-70.10000123
303P28.9Very low26.3Very low108 Ų108139.4 Ų139.470%0.70178%0.781SS**  trans-96.7-172.9-174.441.5-38.3000113.9
304D24Very low26.2Very low136 Ų136141.8 Ų141.873%0.72778%0.779SS**  trans80.9133.2164.6-64.2-29.3000119.4
305Q25Very low26.2Very low181 Ų181142.1 Ų142.185%0.84678%0.779SS**  trans70.1143.6172.1-52.4160.252.900112.5
306V25.9Very low26.3Very low121 Ų121134.2 Ų134.273%0.73377%0.766SS**  cis-150.1119.434.6176.40000105.5
307V25.4Very low26.3Very low111 Ų111136.2 Ų136.267%0.67377%0.77SS**  53.3121.793.6173.10000112
308Q25.9Very low26.5Very low141 Ų141136.8 Ų136.866%0.65977%0.767SS**  -174.9131.179.3-132.7147.469.700108
309R26Very low26.6Very low203 Ų203142.6 Ų142.677%0.76677%0.773SS**  64.8145.7106.5-70.3-163.6-167.7149.2-2.7116.1
310T25.2Very low26.7Very low107 Ų107143.1 Ų143.166%0.65677%0.773SS**  cis-170.5179.5-3.223.40000105.8
311R25.6Very low26.6Very low198 Ų198143 Ų14375%0.74777%0.773SS**  cis-170.6173.421-136.3150.9-179.3-171.70.6108.4
312E29.2Very low26.5Very low166 Ų166141.9 Ų141.978%0.77677%0.765SS**  trans65.5142.1155.6-68.4141.1-135.500117
313S28Very low26.5Very low111 Ų111140.8 Ų140.878%0.77676%0.756SS**  cis-153.5154.4-13-179.40000109.1
314E24.7Very low26.2Very low168 Ų168142 Ų14279%0.78576%0.757SS**  trans-61.5160.9177-60.9165.6122.800114.3
315I26.6Very low26.3Very low165 Ų165144.5 Ų144.585%0.84676%0.757SS**  trans99.9138.7155.6-59.2143.9000118.6
316A27.5Very low26.3Very low78 Ų78146.6 Ų146.665%0.64576%0.757SS**  trans8594.9164.400000120
317D25.8Very low26.2Very low164 Ų164151.2 Ų151.288%0.87776%0.763SS**  43.796.4122.8-53.5-26000119.9
318S28.9Very low26.2Very low122 Ų122151.4 Ų151.485%0.85376%0.76SS**  trans-152.7134.7133.653.80000111.2M320S318-M320 PolarHBondContact O-N 3.45Å
319E27.7Very low26.2Very low201 Ų201149.9 Ų149.994%0.93977%0.765SS**  trans-67123.3-172.6-58.7165.9124.600111.9
320M29.1Very low26.3Very low180 Ų180143.9 Ų143.989%0.88775%0.746SS**  trans-129.9119.3160.4-154.4178.3-174.500109S318 S322S318-M320 PolarHBondContact O-N 3.45Å; M320-S322 PolarHBondContact O-N 3.35Å
321P26.4Very low26.7Very low109 Ų109150.6 Ų150.671%0.70876%0.76SS**  trans-69.6128.5-164.526-34.4000111.7C323P321-C323 PolarHBondContact O-N 2.92Å; P321-C323 VanDerWaalsContact O-N 3.1Å
322S26.7Very low27Very low91 Ų91143.9 Ų143.964%0.63674%0.737SS**  trans-62.2112.4167.550.30000109.5M320 N324M320-S322 PolarHBondContact O-N 3.35Å; S322-N324 PolarHBondContact O-N 3.28Å; S322-N324 PolarHBondContact O-ND2 2.88Å; S322-N324 PolarHBondContact OG-ND2 2.82Å; S322-N324 VanDerWaalsContact OG-ND2 3.14Å
323C24.1Very low27.2Very low95 Ų95139.6 Ų139.664%0.64272%0.723SS**  trans-70.775.5176.8-67.80000111.2P321 Y325P321-C323 PolarHBondContact O-N 2.92Å; P321-C323 VanDerWaalsContact O-N 3.1Å; C323-Y325 HydrophobicContact CB-CD2 4.36Å; C323-Y325 HydrophobicContact CB-CE2 3.86Å; C323-Y325 WeakPolarHBondContact O-CD2 3.43Å; C323-Y325 PolarHBondContact O-N 2.89Å
324N23.4Very low27.7Very low133 Ų133139.3 Ų139.371%0.71171%0.712SS**  trans-7187.9173.6-70.4-53.9000110.2S322 R326S322-N324 PolarHBondContact O-N 3.28Å; S322-N324 PolarHBondContact O-ND2 2.88Å; S322-N324 PolarHBondContact OG-ND2 2.82Å; S322-N324 VanDerWaalsContact OG-ND2 3.14Å; N324-R326 PolarHBondContact O-N 3.39Å
325Y24.5Very low28.6Very low190 Ų190134.7 Ų134.775%0.74569%0.693SS**  trans-70.195.2172.9-72.8-74.4000111C323 Y327C323-Y325 HydrophobicContact CB-CD2 4.36Å; C323-Y325 HydrophobicContact CB-CE2 3.86Å; C323-Y325 WeakPolarHBondContact O-CD2 3.43Å; C323-Y325 PolarHBondContact O-N 2.89Å; Y325-Y327 PolarHBondContact O-N 2.88Å
326R25.5Very low29.5Very low224 Ų224129.4 Ų129.485%0.84567%0.669SS**  trans-83.8100.7178.1-156.3177.3-164.5176.55.7109.5N324 L328N324-R326 PolarHBondContact O-N 3.39Å; R326-L328 PolarHBondContact O-N 3.44Å
327Y25Very low30.2Very low219 Ų219127 Ų12786%0.85965%0.645SS**  trans-66.5104.9175.3-75.4-89.5000110.7Y325 S329Y325-Y327 PolarHBondContact O-N 2.88Å; Y327-S329 PolarHBondContact O-N 2.95Å
328L25Very low31.1Very low115 Ų115127 Ų12760%0.60263%0.633SS**  trans-70.8122.5177.6-84.3157.4000111R326 M330 L337R326-L328 PolarHBondContact O-N 3.44Å; L328-M330 PolarHBondContact O-N 2.8Å; L328-L337 HydrophobicContact CD1-CD2 4.5Å
329S25.3Very low32.1Very low108 Ų108128.9 Ų128.976%0.75562%0.621SS**  trans-7289.517750.80000111.1Y327 R331Y327-S329 PolarHBondContact O-N 2.95Å; S329-R331 PolarHBondContact O-N 3.04Å
330M29.3Very low33.2Very low77 Ų77124.1 Ų124.138%0.37959%0.594SS.*  trans-73.461.8179.3-65.7-69.4-76.200113L328 L334 L337L328-M330 PolarHBondContact O-N 2.8Å; M330-L334 HydrophobicContact CE-CD2 3.66Å; M330-L334 HydrophobicContact CE-CG 3.69Å; M330-L337 HydrophobicContact CE-CD2 4.38Å; M330-L337 HydrophobicContact SD-CB 4.42Å; M330-L337 HydrophobicContact SD-CD1 3.84Å; M330-L337 HydrophobicContact SD-CD2 3.76Å; M330-L337 HydrophobicContact SD-CG 4.21Å
331R31.6Very low34.1Very low249 Ų249120 Ų12094%0.9458%0.575SS**  trans-75.7-3.4159.8-104.4-174.6176.4175.5-0.1112.4S329S329-R331 PolarHBondContact O-N 3.04Å
332E32.4Very low35.4Very low56 Ų56119.7 Ų119.726%0.26256%0.564SS.*SBendtrans-112.3149.1-172.9-58.6-178.9156.400111.1L334 V336 R340E332-L334 PolarHBondContact O-N 3.07Å; E332-V336 HydrophobicContact CB-CG1 4.5Å; E332-R340 IonicContact OE1-CZ 3.76Å; E332-R340 IonicContact OE1-NH1 3.95Å; E332-R340 PolarHBondContact OE1-NH1 3.35Å; E332-R340 IonicContact OE1-NH2 2.84Å; E332-R340 PolarHBondContact OE1-NH2 2.98Å; E332-R340 IonicContact OE2-CZ 3.91Å; E332-R340 IonicContact OE2-NE 3Å; E332-R340 IonicContact OE2-NH1 2.74Å; E332-R340 PolarHBondContact OE2-NH1 2.92Å; E332-R340 IonicContact OE2-NH2 3.37Å; E332-R340 PolarHBondContact OE2-NH2 3.4Å
333P34.3Very low36.7Very low77 Ų77123.2 Ų123.250%0.557%0.571SS.*  trans-56.1140.2168.6-21.732.1000110.6D335 V336 L337P333-D335 PolarHBondContact O-N 2.94Å; P333-V336 HydrophobicContact CB-CB 4.45Å; P333-V336 HydrophobicContact CB-CG2 4.09Å; P333-V336 HydrophobicContact CG-CG2 3.96Å; P333-V336 WeakPolarHBondContact O-CA 3.33Å; P333-V336 WeakPolarHBondContact O-CB 3.34Å; P333-V336 PolarHBondContact O-N 3.28Å; P333-L337 PolarHBondContact O-N 2.92Å; P333-L337 VanDerWaalsContact O-N 3.1Å
334L37.8Very low37.8Very low104 Ų104124.7 Ų124.755%0.54557%0.568SS.*Hα-helixtrans-48.2-36.1172.4-90.4156.4000112M330 E332 V336 L337 R338M330-L334 HydrophobicContact CE-CD2 3.66Å; M330-L334 HydrophobicContact CE-CG 3.69Å; E332-L334 PolarHBondContact O-N 3.07Å; L334-V336 VanDerWaalsContact C-N 3.32Å; L334-V336 PolarHBondContact O-N 2.93Å; L334-L337 PolarHBondContact O-N 2.73Å; L334-R338 WeakPolarHBondContact O-CB 3.31Å; L334-R338 PolarHBondContact O-N 2.9Å
335D44.5Very low38.7Very low71 Ų71125.6 Ų125.638%0.3857%0.573SS.*Hα-helixtrans-73.3-22.6-177.5-40.2-68000112.5R101 P333 R339R101-D335 IonicContact CZ-OD2 3.16Å; R101-D335 IonicContact NH1-OD1 2.9Å; R101-D335 IonicContact NH1-OD2 3.8Å; R101-D335 PolarHBondContact NH1-OD2 3.03Å; R101-D335 IonicContact NH2-OD1 2.76Å; R101-D335 PolarHBondContact NH2-OD1 3.37Å; R101-D335 IonicContact NH2-OD2 2.72Å; P333-D335 PolarHBondContact O-N 2.94Å; D335-R339 VanDerWaalsContact O-CG 3.29Å; D335-R339 WeakPolarHBondContact O-CG 3.42Å; D335-R339 PolarHBondContact O-N 3.01Å
336V44.7Very low39.4Very low55 Ų55119.8 Ų119.833%0.33357%0.571SS.*Hα-helixtrans-82.6-43.4171.5172.50000110.6E332 P333 L334 R338 R339 R340E332-V336 HydrophobicContact CB-CG1 4.5Å; P333-V336 HydrophobicContact CB-CB 4.45Å; P333-V336 HydrophobicContact CB-CG2 4.09Å; P333-V336 HydrophobicContact CG-CG2 3.96Å; P333-V336 WeakPolarHBondContact O-CA 3.33Å; P333-V336 WeakPolarHBondContact O-CB 3.34Å; P333-V336 PolarHBondContact O-N 3.28Å; L334-V336 VanDerWaalsContact C-N 3.32Å; L334-V336 PolarHBondContact O-N 2.93Å; V336-R338 VanDerWaalsContact C-N 3.34Å; V336-R339 PolarHBondContact O-N 3.2Å; V336-R340 WeakPolarHBondContact O-CB 3.44Å; V336-R340 PolarHBondContact O-N 2.86Å
337L42.5Very low39.9Very low28 Ų28119 Ų11915%0.14757%0.568CS.*Hα-helixtrans-63.4-42.5177.5-158.6100.7000111L328 M330 P333 L334 R340 L341L328-L337 HydrophobicContact CD1-CD2 4.5Å; M330-L337 HydrophobicContact CE-CD2 4.38Å; M330-L337 HydrophobicContact SD-CB 4.42Å; M330-L337 HydrophobicContact SD-CD1 3.84Å; M330-L337 HydrophobicContact SD-CD2 3.76Å; M330-L337 HydrophobicContact SD-CG 4.21Å; P333-L337 PolarHBondContact O-N 2.92Å; P333-L337 VanDerWaalsContact O-N 3.1Å; L334-L337 PolarHBondContact O-N 2.73Å; L337-R340 WeakPolarHBondContact O-CB 3.32Å; L337-R340 PolarHBondContact O-N 3.43Å; L337-R340 VanDerWaalsContact O-N 3.15Å; L337-L341 HydrophobicContact CD2-CD1 3.97Å; L337-L341 HydrophobicContact CG-CD1 4.42Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.06Å
338R45.1Very low40.1Very low164 Ų164116.2 Ų116.262%0.61957%0.568SS**Hα-helixtrans-58.8-51.1175.7-179.8171.6-177158.47.5112.1L334 V336 R340 L341 E342L334-R338 WeakPolarHBondContact O-CB 3.31Å; L334-R338 PolarHBondContact O-N 2.9Å; V336-R338 VanDerWaalsContact C-N 3.34Å; R338-R340 PolarHBondContact O-N 2.85Å; R338-L341 PolarHBondContact O-N 3.37Å; R338-E342 HydrophobicContact CG-CG 4.41Å; R338-E342 WeakPolarHBondContact CG-OE1 3.48Å; R338-E342 IonicContact CZ-OE1 3.8Å; R338-E342 IonicContact NE-OE1 3.64Å; R338-E342 PolarHBondContact NE-OE1 3.45Å; R338-E342 IonicContact NH2-OE1 2.78Å; R338-E342 WeakPolarHBondContact O-CB 3.46Å; R338-E342 VanDerWaalsContact O-CG 3.28Å; R338-E342 WeakPolarHBondContact O-CG 3.38Å; R338-E342 PolarHBondContact O-N 3.45Å
339R48.5Very low40.5Very low161 Ų161118.8 Ų118.861%0.60858%0.575SS**Hα-helixtrans-57.7-36.4174.1-74177.8-154.5-176.65.1112.4D335 V336 Q343D335-R339 VanDerWaalsContact O-CG 3.29Å; D335-R339 WeakPolarHBondContact O-CG 3.42Å; D335-R339 PolarHBondContact O-N 3.01Å; V336-R339 PolarHBondContact O-N 3.2Å; R339-Q343 VanDerWaalsContact O-CB 3.24Å; R339-Q343 WeakPolarHBondContact O-CB 3.47Å; R339-Q343 WeakPolarHBondContact O-CG 3.35Å; R339-Q343 PolarHBondContact O-N 3.47Å
340R51.3Low40.6Very low101 Ų101123.3 Ų123.338%0.38158%0.581SS.*Hα-helixtrans-70.3-41.3-179.7-156.6178-61174.4-1111.9E332 V336 L337 R338 Q343 Q344E332-R340 IonicContact OE1-CZ 3.76Å; E332-R340 IonicContact OE1-NH1 3.95Å; E332-R340 PolarHBondContact OE1-NH1 3.35Å; E332-R340 IonicContact OE1-NH2 2.84Å; E332-R340 PolarHBondContact OE1-NH2 2.98Å; E332-R340 IonicContact OE2-CZ 3.91Å; E332-R340 IonicContact OE2-NE 3Å; E332-R340 IonicContact OE2-NH1 2.74Å; E332-R340 PolarHBondContact OE2-NH1 2.92Å; E332-R340 IonicContact OE2-NH2 3.37Å; E332-R340 PolarHBondContact OE2-NH2 3.4Å; V336-R340 WeakPolarHBondContact O-CB 3.44Å; V336-R340 PolarHBondContact O-N 2.86Å; L337-R340 WeakPolarHBondContact O-CB 3.32Å; L337-R340 PolarHBondContact O-N 3.43Å; L337-R340 VanDerWaalsContact O-N 3.15Å; R338-R340 PolarHBondContact O-N 2.85Å; R340-Q343 PolarHBondContact O-N 3.43Å; R340-Q344 VanDerWaalsContact O-CB 3.25Å; R340-Q344 WeakPolarHBondContact O-CB 3.4Å; R340-Q344 VanDerWaalsContact O-CG 3.27Å; R340-Q344 WeakPolarHBondContact O-CG 3.48Å; R340-Q344 PolarHBondContact O-N 3.4Å
341L48.8Very low40.5Very low93 Ų93127 Ų12749%0.48760%0.602SS.*Hα-helixtrans-65-44.9172.8-69.1166.5000111.1L337 R338 Q343 Q344L337-L341 HydrophobicContact CD2-CD1 3.97Å; L337-L341 HydrophobicContact CG-CD1 4.42Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.06Å; R338-L341 PolarHBondContact O-N 3.37Å; L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 2.91Å; L341-Q344 PolarHBondContact O-N 2.97Å; L341-Q344 VanDerWaalsContact O-N 3.13Å
342E53.6Low40.2Very low102 Ų102121 Ų12148%0.47760%0.598SS.*Hα-helixtrans-62.1-34175.4-70.8164.1174.800112.1R338R338-E342 HydrophobicContact CG-CG 4.41Å; R338-E342 WeakPolarHBondContact CG-OE1 3.48Å; R338-E342 IonicContact CZ-OE1 3.8Å; R338-E342 IonicContact NE-OE1 3.64Å; R338-E342 PolarHBondContact NE-OE1 3.45Å; R338-E342 IonicContact NH2-OE1 2.78Å; R338-E342 WeakPolarHBondContact O-CB 3.46Å; R338-E342 VanDerWaalsContact O-CG 3.28Å; R338-E342 WeakPolarHBondContact O-CG 3.38Å; R338-E342 PolarHBondContact O-N 3.45Å
343Q53.6Low39.9Very low165 Ų165122.1 Ų122.177%0.77162%0.617SS**Hα-helixtrans-81.5-17.8173.8-74.7176.2-11.600114.5R339 R340 L341R339-Q343 VanDerWaalsContact O-CB 3.24Å; R339-Q343 WeakPolarHBondContact O-CB 3.47Å; R339-Q343 WeakPolarHBondContact O-CG 3.35Å; R339-Q343 PolarHBondContact O-N 3.47Å; R340-Q343 PolarHBondContact O-N 3.43Å; L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 2.91Å
344Q48Very low39.5Very low126 Ų126123 Ų12359%0.58963%0.626SS**  trans-90.41.6-177.6-84.7-174.4-31.100114.6R340 L341 G346 R347R340-Q344 VanDerWaalsContact O-CB 3.25Å; R340-Q344 WeakPolarHBondContact O-CB 3.4Å; R340-Q344 VanDerWaalsContact O-CG 3.27Å; R340-Q344 WeakPolarHBondContact O-CG 3.48Å; R340-Q344 PolarHBondContact O-N 3.4Å; L341-Q344 PolarHBondContact O-N 2.97Å; L341-Q344 VanDerWaalsContact O-N 3.13Å; Q344-G346 PolarHBondContact O-N 3.39Å; Q344-R347 PolarHBondContact O-N 2.87Å
345N42Very low38.9Very low152 Ų152125 Ų12581%0.81364%0.636SS**THydrogen-bonded Turntrans-6121.4177-83.9-20.7000116.2
346G38.8Very low38.2Very low68 Ų68127.1 Ų127.170%0.70166%0.657SS**THydrogen-bonded Turntrans-148.59.5-177.700000116.9Q344Q344-G346 PolarHBondContact O-N 3.39Å
347R36.4Very low37.1Very low209 Ų209129 Ų12979%0.78967%0.672SS**  trans-137.5102177.1-82.1-171.6170.7177.3-2.5114.3Q344 F349Q344-R347 PolarHBondContact O-N 2.87Å; R347-F349 HydrophobicContact CB-CD2 4.2Å; R347-F349 HydrophobicContact CB-CE2 4.25Å; R347-F349 PolarHBondContact O-N 3.33Å
348N29.3Very low36.4Very low160 Ų160134.4 Ų134.486%0.85670%0.701SS**  trans-61.5110170.6-60.8-27.1000111.5
349F33.5Very low35.5Very low168 Ų168133.3 Ų133.374%0.73770%0.703SS**  trans-141.464.2166.5-75.6-75.5000111.8R347 N351R347-F349 HydrophobicContact CB-CD2 4.2Å; R347-F349 HydrophobicContact CB-CE2 4.25Å; R347-F349 PolarHBondContact O-N 3.33Å; F349-N351 PolarHBondContact O-N 3.21Å
350F25.7Very low34.5Very low204 Ų204135.1 Ų135.190%0.89571%0.711SS**  trans-69.1111.7138.2-75.1-94.5000106.5
351N28.3Very low33.2Very low154 Ų154140.2 Ų140.282%0.82473%0.731SS**  trans178.8118.5151.7-94.3-24.2000112.8F349F349-N351 PolarHBondContact O-N 3.21Å
352S24.5Very low32Very low122 Ų122141.5 Ų141.585%0.85374%0.744SS**  trans65.6168147.4-145.50000121
353A27.6Very low30.6Very low80 Ų80141.9 Ų141.966%0.66176%0.758SS**  trans59.7106.5-175.200000114.4
354S24.6Very low29.3Very low97 Ų97140.4 Ų140.468%0.67875%0.753SS**  cis63.1138.740.694.50000114.9
355D25.7Very low28.3Very low144 Ų144141.5 Ų141.577%0.7776%0.763SS**  trans82.4144.6164.5-54.3-57.1000121.7
356S29.1Very low27.6Very low116 Ų116142.1 Ų142.181%0.81176%0.761SS**  trans72.187168.366.90000118.2
357S23.3Very low27Very low94 Ų94144.5 Ų144.566%0.65777%0.767SS**  trans-51.6139150.452.80000112.4
358L26.7Very low26.7Very low142 Ų142139.8 Ų139.874%0.74377%0.766SS**  trans-139.8104.5154.3-147.484.2000109.9Y360L358-Y360 HydrophobicContact CD2-CD2 4.23Å; L358-Y360 HydrophobicContact CD2-CE2 3.55Å; L358-Y360 HydrophobicContact CG-CE2 4.37Å
359H26.9Very low26.7Very low141 Ų141136.9 Ų136.965%0.65375%0.751SS**  trans-80.8125.6177.5-67.1-104.9000109.7Y361H359-Y361 HydrophobicContact CB-CE2 4.36Å
360Y27.1Very low26.7Very low200 Ų200135.3 Ų135.378%0.78476%0.757SS**  trans-119.8102.8159.9-83.9-67.6000109.6L358L358-Y360 HydrophobicContact CD2-CD2 4.23Å; L358-Y360 HydrophobicContact CD2-CE2 3.55Å; L358-Y360 HydrophobicContact CG-CE2 4.37Å
361Y23.9Very low26.9Very low207 Ų207128.4 Ų128.481%0.81274%0.744SS**  trans-70.5122.9162.4-71.2-99.1000108.3H359H359-Y361 HydrophobicContact CB-CE2 4.36Å
362T23.7Very low26.9Very low121 Ų121130.7 Ų130.774%0.74274%0.743SS**  trans-118.189.915655.30000107.7I364T362-I364 PolarHBondContact O-N 2.91Å
363S23.8Very low27.2Very low110 Ų110133.7 Ų133.777%0.76974%0.743SS**  trans-57.7115.6159.646.60000108.7
364I26.5Very low27.3Very low133 Ų133133.9 Ų133.968%0.68275%0.745SS**  trans-111.766.7161.4-50.5179.7000107.2T362 E366T362-I364 PolarHBondContact O-N 2.91Å; I364-E366 VanDerWaalsContact C-N 3.34Å
365N27.7Very low27.3Very low149 Ų149136.1 Ų136.180%0.79775%0.754SS**  trans-75.8100.9131.3-81.8-8.8000104.2
366E26.4Very low27.5Very low166 Ų166134 Ų13478%0.77675%0.75SS**SBendtrans175.2141.9149.4-98.7155.6-15300112.2I364 S368I364-E366 VanDerWaalsContact C-N 3.34Å; E366-S368 PolarHBondContact O-N 3.39Å
367S26.6Very low27.6Very low117 Ų117140 Ų14082%0.81877%0.772SS**  trans-36.2123171.146.50000115.4
368S30.3Very low27.8Very low110 Ų110142.3 Ų142.377%0.76978%0.777SS**  trans-142.453.3161.7380000110.1E366 P370E366-S368 PolarHBondContact O-N 3.39Å; S368-P370 WeakPolarHBondContact O-CD 3.43Å
369D29.9Very low27.8Very low99 Ų99142.3 Ų142.353%0.52978%0.779SS.*  trans-91.7116170-166.7-14.7000108.8G371 Y372D369-G371 PolarHBondContact O-N 3.39Å; D369-G371 WeakPolarHBondContact OD1-CA 3.3Å; D369-G371 PolarHBondContact OD1-N 3.36Å; D369-Y372 WeakPolarHBondContact OD2-CD2 3.42Å
370P33.3Very low27.9Very low135 Ų135142.3 Ų142.388%0.87779%0.786SS**THydrogen-bonded Turntrans-74.40.2171.9-13.229.9000113.3S368S368-P370 WeakPolarHBondContact O-CD 3.43Å
371G29.7Very low27.9Very low60 Ų60138.9 Ų138.962%0.61979%0.786SS**THydrogen-bonded Turntrans-99.9-9.6-173.600000116.4D369 E373D369-G371 PolarHBondContact O-N 3.39Å; D369-G371 WeakPolarHBondContact OD1-CA 3.3Å; D369-G371 PolarHBondContact OD1-N 3.36Å; G371-E373 PolarHBondContact O-N 3.29Å
372Y28.6Very low28.2Very low202 Ų202134.7 Ų134.779%0.79279%0.785SS**  trans-92.477.4176-98.7-93.3000111.3D369 A374D369-Y372 WeakPolarHBondContact OD2-CD2 3.42Å; Y372-A374 PolarHBondContact O-N 3.3Å
373E30.1Very low28.5Very low185 Ų185135.6 Ų135.686%0.86479%0.788SS**  trans-65.3120.8156.1-76.3-169.3149.100108.6G371 V375G371-E373 PolarHBondContact O-N 3.29Å; E373-V375 PolarHBondContact O-N 2.77Å
374A30Very low28.8Very low84 Ų84137.4 Ų137.469%0.69479%0.789SS**  trans-70.1123.9179.900000110.8Y372 S376Y372-A374 PolarHBondContact O-N 3.3Å; A374-S376 PolarHBondContact O-N 3.11Å; A374-S376 VanDerWaalsContact O-N 3.11Å
375V24.5Very low29Very low144 Ų144137.8 Ų137.887%0.87380%0.797SS**  trans-69.7102.9163.1177.30000107.9E373E373-V375 PolarHBondContact O-N 2.77Å
376S29.7Very low29.1Very low99 Ų99136.8 Ų136.869%0.69280%0.797SS**  trans-147.445.1179.4-680000113A374A374-S376 PolarHBondContact O-N 3.11Å; A374-S376 VanDerWaalsContact O-N 3.11Å
377L30.1Very low29.3Very low241 Ų241134.2 Ų134.2100%1.26280%0.799SS**  trans-175.20144.6-101.8164000110.6

Retrieved 377 of 377 residues in 77.9 ms (Link to these results)