X2JKX2_DROME Loading...

Corolla, isoform B

AlphaFold DB , UniProt , Accession X2JKX2, Species DROME (Drosophila melanogaster, Fruit fly), Gene corolla, Length 552 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
1M54Low60.2Low138 Ų138134.3 Ų134.368%0.6864%0.639SS**  0-2.30-93.7-72.2-83.400111.9K3 M11M1-K3 PolarHBondContact O-N 3.34Å; M1-M11 HydrophobicContact CE-CE 3.63Å
2E55.1Low60.3Low169 Ų169128.5 Ų128.579%0.7964%0.641SS**THydrogen-bonded Turntrans-72.3-22.1-174.6-64.499.7155.300115.8Y4E2-Y4 PolarHBondContact O-N 3.26Å; E2-Y4 VanDerWaalsContact O-N 3.1Å
3K58.6Low60.2Low189 Ų189130.7 Ų130.782%0.82265%0.649SS**THydrogen-bonded Turntrans-68.8-6.5-176.4-65.7-168.8176.5-174.60115M1M1-K3 PolarHBondContact O-N 3.34Å
4Y62.9Low60Low163 Ų163128.1 Ų128.164%0.63964%0.638SS**  trans-140.271.8-177.4-59.5-73.5000112.2E2 L6 V7 K8E2-Y4 PolarHBondContact O-N 3.26Å; E2-Y4 VanDerWaalsContact O-N 3.1Å; Y4-L6 PolarHBondContact O-N 3.28Å; Y4-V7 PolarHBondContact O-N 2.97Å; Y4-V7 VanDerWaalsContact O-N 3.17Å; Y4-K8 PolarHBondContact O-N 3.14Å
5P61.8Low59.9Low86 Ų86133.5 Ų133.556%0.55865%0.648SS**Hα-helixtrans-61-39.6-174.222.8-33.2000113.7V7 K8 E9P5-V7 VanDerWaalsContact C-N 3.27Å; P5-V7 PolarHBondContact O-N 2.87Å; P5-K8 WeakPolarHBondContact O-CA 3.31Å; P5-K8 VanDerWaalsContact O-CB 3.3Å; P5-K8 WeakPolarHBondContact O-CB 3.41Å; P5-K8 PolarHBondContact O-N 3.36Å; P5-E9 PolarHBondContact O-N 3.09Å
6L58.7Low59.5Low138 Ų138132.3 Ų132.372%0.72365%0.654SS**Hα-helixtrans-58.1-36.9176.2-78.2156.6000112.9Y4 K8 F10Y4-L6 PolarHBondContact O-N 3.28Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-F10 WeakPolarHBondContact O-CB 3.42Å; L6-F10 PolarHBondContact O-N 3.06Å
7V64.6Low59.5Low73 Ų73133.9 Ų133.944%0.44266%0.657SS.*Hα-helixtrans-71.7-32.7176.5-177.70000110.9Y4 P5 M11Y4-V7 PolarHBondContact O-N 2.97Å; Y4-V7 VanDerWaalsContact O-N 3.17Å; P5-V7 VanDerWaalsContact C-N 3.27Å; P5-V7 PolarHBondContact O-N 2.87Å; V7-M11 HydrophobicContact CG1-CE 4.27Å; V7-M11 HydrophobicContact CG1-CG 4.41Å; V7-M11 WeakPolarHBondContact O-CB 3.3Å; V7-M11 WeakPolarHBondContact O-CG 3.45Å; V7-M11 PolarHBondContact O-N 3.03Å
8K62.7Low59.7Low137 Ų137133.3 Ų133.360%0.59666%0.657SS**Hα-helixtrans-66.9-43175.7-170.4-175.4176.5-173.40111.7Y4 P5 L6 G12Y4-K8 PolarHBondContact O-N 3.14Å; P5-K8 WeakPolarHBondContact O-CA 3.31Å; P5-K8 VanDerWaalsContact O-CB 3.3Å; P5-K8 WeakPolarHBondContact O-CB 3.41Å; P5-K8 PolarHBondContact O-N 3.36Å; L6-K8 VanDerWaalsContact C-N 3.34Å; K8-G12 PolarHBondContact O-N 3.44Å
9E60.7Low60.2Low127 Ų127131.6 Ų131.659%0.59366%0.655SS**Hα-helixtrans-65.2-48.2173.1-74.8-172.9118.100111.9P5 M11 G12 Q13P5-E9 PolarHBondContact O-N 3.09Å; E9-M11 VanDerWaalsContact C-N 3.35Å; E9-M11 PolarHBondContact O-N 3.08Å; E9-G12 PolarHBondContact O-N 3.03Å; E9-G12 VanDerWaalsContact O-N 3.08Å; E9-Q13 PolarHBondContact O-N 3Å; E9-Q13 VanDerWaalsContact O-N 3.09Å
10F61.3Low60.7Low152 Ų152133 Ų13367%0.66766%0.657SS**Hα-helixtrans-65-35.6-174.5-159-92000113.3L6 N14L6-F10 WeakPolarHBondContact O-CB 3.42Å; L6-F10 PolarHBondContact O-N 3.06Å; F10-N14 PolarHBondContact O-ND2 3.36Å
11M62.3Low61.3Low105 Ų105132 Ų13252%0.51765%0.652SS.*Hα-helixtrans-76.6-32.9171.2-66.7-156.4-57.700112.8M1 V7 E9 Q13M1-M11 HydrophobicContact CE-CE 3.63Å; V7-M11 HydrophobicContact CG1-CE 4.27Å; V7-M11 HydrophobicContact CG1-CG 4.41Å; V7-M11 WeakPolarHBondContact O-CB 3.3Å; V7-M11 WeakPolarHBondContact O-CG 3.45Å; V7-M11 PolarHBondContact O-N 3.03Å; E9-M11 VanDerWaalsContact C-N 3.35Å; E9-M11 PolarHBondContact O-N 3.08Å; M11-Q13 VanDerWaalsContact C-N 3.34Å; M11-Q13 PolarHBondContact O-N 3.27Å
12G61.2Low62.5Low65 Ų65128.3 Ų128.367%0.6764%0.643SS**Hα-helixtrans-65.1-32.5179.200000114.1K8 E9K8-G12 PolarHBondContact O-N 3.44Å; E9-G12 PolarHBondContact O-N 3.03Å; E9-G12 VanDerWaalsContact O-N 3.08Å
13Q58.6Low63.5Low157 Ų157126.8 Ų126.873%0.73464%0.636SS**Hα-helixtrans-84.2-23-179.6-70.2-176-8.700114.5E9 M11E9-Q13 PolarHBondContact O-N 3Å; E9-Q13 VanDerWaalsContact O-N 3.09Å; M11-Q13 VanDerWaalsContact C-N 3.34Å; M11-Q13 PolarHBondContact O-N 3.27Å
14N57.8Low64.5Low95 Ų95123.2 Ų123.251%0.50863%0.625SS.*Hα-helixtrans-116.96.4-162.5-70.5-59.6000116.1F10F10-N14 PolarHBondContact O-ND2 3.36Å
15W58.4Low65.3Low208 Ų208120.4 Ų120.479%0.78862%0.618SS**  trans-137.681-169.6-143.4-76.4000117.3K17W15-K17 PolarHBondContact O-N 3.29Å
16P53.8Low66.3Low114 Ų114123.7 Ų123.774%0.7462%0.623SS**  trans-83.8102.7172.931.9-32.1000112.7
17K58.8Low67.2Low161 Ų161122.4 Ų122.470%0.761%0.614SS**  trans166.9105.6144.8-91.9151.3-170.7172.50112.8W15 T19W15-K17 PolarHBondContact O-N 3.29Å; K17-T19 VanDerWaalsContact C-N 3.3Å; K17-T19 PolarHBondContact O-N 3.09Å
18D63.6Low68Low122 Ų122123.2 Ų123.265%0.65262%0.615SS**THydrogen-bonded Turntrans-63.2-25.8-178.6-59.1-69.3000115.4K20 M21 A22D18-K20 PolarHBondContact O-N 3.47Å; D18-K20 VanDerWaalsContact O-N 3.14Å; D18-M21 WeakPolarHBondContact O-CA 3.49Å; D18-M21 VanDerWaalsContact O-CB 3.31Å; D18-M21 WeakPolarHBondContact O-CB 3.43Å; D18-M21 PolarHBondContact O-N 3.09Å; D18-A22 PolarHBondContact O-N 3.26Å
19T68.2Low69Low102 Ų102122.7 Ų122.763%0.62661%0.613SS**Hα-helixtrans-60.4-29.6-172.743.20000113.9K17 Q23K17-T19 VanDerWaalsContact C-N 3.3Å; K17-T19 PolarHBondContact O-N 3.09Å; T19-Q23 WeakPolarHBondContact O-CG 3.47Å; T19-Q23 PolarHBondContact O-N 2.9Å
20K70.6Confident70.1Confident159 Ų159121.8 Ų121.869%0.69161%0.607SS**Hα-helixtrans-74.6-31.8172.4-71.2-169.3174.5-172.10112.8D18 L24D18-K20 PolarHBondContact O-N 3.47Å; D18-K20 VanDerWaalsContact O-N 3.14Å; K20-L24 PolarHBondContact O-N 3.13Å; K20-L24 VanDerWaalsContact O-N 3.15Å
21M73.8Confident71Confident112 Ų112122.7 Ų122.755%0.55261%0.606SS**Hα-helixtrans-68.6-46.9175.4-159.8-170.8-48.300110.3D18 Q23 L24 E25D18-M21 WeakPolarHBondContact O-CA 3.49Å; D18-M21 VanDerWaalsContact O-CB 3.31Å; D18-M21 WeakPolarHBondContact O-CB 3.43Å; D18-M21 PolarHBondContact O-N 3.09Å; M21-Q23 VanDerWaalsContact C-N 3.32Å; M21-Q23 PolarHBondContact O-N 3.49Å; M21-L24 WeakPolarHBondContact O-CB 3.43Å; M21-L24 PolarHBondContact O-N 3.44Å; M21-L24 VanDerWaalsContact O-N 3.13Å; M21-E25 PolarHBondContact O-N 3.05Å
22A78.5Confident71.8Confident60 Ų60124.8 Ų124.850%0.49661%0.612SS.*Hα-helixtrans-61.3-35.9177.800000113.4D18 K26D18-A22 PolarHBondContact O-N 3.26Å; A22-K26 WeakPolarHBondContact O-CB 3.46Å; A22-K26 PolarHBondContact O-N 3.15Å; A22-K26 VanDerWaalsContact O-N 3.09Å
23Q78Confident72.7Confident138 Ų138127.2 Ų127.265%0.64561%0.606SS**Hα-helixtrans-67.3-43.9172.8-76.5179.7-22.100112.1T19 M21 E25 K26 E27T19-Q23 WeakPolarHBondContact O-CG 3.47Å; T19-Q23 PolarHBondContact O-N 2.9Å; M21-Q23 VanDerWaalsContact C-N 3.32Å; M21-Q23 PolarHBondContact O-N 3.49Å; Q23-E25 PolarHBondContact O-N 3.03Å; Q23-K26 PolarHBondContact O-N 3.1Å; Q23-E27 PolarHBondContact O-N 3.23Å; Q23-E27 VanDerWaalsContact O-N 3.09Å
24L78.8Confident73.7Confident113 Ų113124.9 Ų124.959%0.59260%0.598SS**Hα-helixtrans-59.9-45.4175.6-174.274000111.4K20 M21 K26 E27 L28K20-L24 PolarHBondContact O-N 3.13Å; K20-L24 VanDerWaalsContact O-N 3.15Å; M21-L24 WeakPolarHBondContact O-CB 3.43Å; M21-L24 PolarHBondContact O-N 3.44Å; M21-L24 VanDerWaalsContact O-N 3.13Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 2.91Å; L24-E27 PolarHBondContact O-N 3.17Å; L24-L28 HydrophobicContact CD2-CD1 4.46Å; L24-L28 HydrophobicContact CG-CD1 3.99Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 VanDerWaalsContact O-CG 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.35Å; L24-L28 PolarHBondContact O-N 2.98Å
25E80.3Confident74.6Confident104 Ų104123.5 Ų123.549%0.48659%0.59SS.*Hα-helixtrans-62.5-37.8176.7-72.5-166.6168.100112.9M21 Q23 L28 K29M21-E25 PolarHBondContact O-N 3.05Å; Q23-E25 PolarHBondContact O-N 3.03Å; E25-L28 PolarHBondContact O-N 3.49Å; E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 2.93Å
26K82.5Confident75.5Confident155 Ų155118.3 Ų118.367%0.67458%0.581SS**Hα-helixtrans-67.5-44.6178.9-169.6175.2-178.6179.70112A22 Q23 L24 K29 K30A22-K26 WeakPolarHBondContact O-CB 3.46Å; A22-K26 PolarHBondContact O-N 3.15Å; A22-K26 VanDerWaalsContact O-N 3.09Å; Q23-K26 PolarHBondContact O-N 3.1Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 2.91Å; K26-K29 PolarHBondContact O-N 2.94Å; K26-K30 WeakPolarHBondContact O-CB 3.33Å; K26-K30 PolarHBondContact O-N 2.85Å
27E77.6Confident76.6Confident112 Ų112118.9 Ų118.952%0.52357%0.574SS.*Hα-helixtrans-69.1-32.9174.7-71-58.4145.100112.1Q23 L24 K30 R31Q23-E27 PolarHBondContact O-N 3.23Å; Q23-E27 VanDerWaalsContact O-N 3.09Å; L24-E27 PolarHBondContact O-N 3.17Å; E27-K30 PolarHBondContact O-N 3.41Å; E27-R31 VanDerWaalsContact O-CB 3.24Å; E27-R31 WeakPolarHBondContact O-CB 3.5Å; E27-R31 PolarHBondContact O-N 3.37Å
28L81.1Confident77.5Confident90 Ų90117.3 Ų117.347%0.47157%0.569SS.*Hα-helixtrans-66.3-33.6172.1-76.1172.1000113L24 E25 K32L24-L28 HydrophobicContact CD2-CD1 4.46Å; L24-L28 HydrophobicContact CG-CD1 3.99Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 VanDerWaalsContact O-CG 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.35Å; L24-L28 PolarHBondContact O-N 2.98Å; E25-L28 PolarHBondContact O-N 3.49Å; L28-K32 VanDerWaalsContact O-CG 3.31Å; L28-K32 WeakPolarHBondContact O-CG 3.48Å; L28-K32 PolarHBondContact O-N 3.32Å
29K84.1Confident78.2Confident126 Ų126117.1 Ų117.155%0.54856%0.564SS.*Hα-helixtrans-68.5-53.2171.2-75.8175.2-179.7176.10111.1E25 K26 R31 K32 E33E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 2.93Å; K26-K29 PolarHBondContact O-N 2.94Å; K29-R31 VanDerWaalsContact C-N 3.27Å; K29-R31 PolarHBondContact O-N 3.24Å; K29-K32 WeakPolarHBondContact O-CA 3.39Å; K29-K32 WeakPolarHBondContact O-CB 3.41Å; K29-K32 PolarHBondContact O-N 3.42Å; K29-E33 WeakPolarHBondContact O-CG 3.2Å; K29-E33 PolarHBondContact O-N 2.9Å
30K82.6Confident78.9Confident107 Ų107118.9 Ų118.947%0.46556%0.559SS.*Hα-helixtrans-56.5-38178-172.2-175.8173.9-165.80113.1K26 E27 E33 L34K26-K30 WeakPolarHBondContact O-CB 3.33Å; K26-K30 PolarHBondContact O-N 2.85Å; E27-K30 PolarHBondContact O-N 3.41Å; K30-E33 WeakPolarHBondContact CA-OE2 3.49Å; K30-E33 PolarHBondContact O-N 3.49Å; K30-L34 HydrophobicContact CG-CD1 4.44Å; K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 3.08Å
31R80.2Confident79.6Confident172 Ų172114.8 Ų114.865%0.64955%0.549SS*.Hα-helixtrans-69-35.5174.8-173175.4-179.1-172.10.6112.6E27 K29 I35E27-R31 VanDerWaalsContact O-CB 3.24Å; E27-R31 WeakPolarHBondContact O-CB 3.5Å; E27-R31 PolarHBondContact O-N 3.37Å; K29-R31 VanDerWaalsContact C-N 3.27Å; K29-R31 PolarHBondContact O-N 3.24Å; R31-I35 HydrophobicContact CG-CD1 4.02Å; R31-I35 WeakPolarHBondContact O-CB 3.24Å; R31-I35 WeakPolarHBondContact O-CD1 3.41Å; R31-I35 WeakPolarHBondContact O-CG1 3.24Å; R31-I35 PolarHBondContact O-N 2.89Å; R31-I35 VanDerWaalsContact O-N 3.08Å
32K80.1Confident80.1Confident149 Ų149117.3 Ų117.365%0.64855%0.553SS**Hα-helixtrans-67.5-43.5173.1-75.6174.1177.2-172.10111.5L28 K29 I35 V36L28-K32 VanDerWaalsContact O-CG 3.31Å; L28-K32 WeakPolarHBondContact O-CG 3.48Å; L28-K32 PolarHBondContact O-N 3.32Å; K29-K32 WeakPolarHBondContact O-CA 3.39Å; K29-K32 WeakPolarHBondContact O-CB 3.41Å; K29-K32 PolarHBondContact O-N 3.42Å; K32-I35 PolarHBondContact O-N 3.11Å; K32-V36 WeakPolarHBondContact O-CG2 3.31Å; K32-V36 PolarHBondContact O-N 3.34Å
33E80.6Confident80.5Confident116 Ų116119.9 Ų119.954%0.54256%0.557SS.*Hα-helixtrans-57.7-51.7175.5-71.4152.9-166.600110.4K29 K30 I35 V36 E37K29-E33 WeakPolarHBondContact O-CG 3.2Å; K29-E33 PolarHBondContact O-N 2.9Å; K30-E33 WeakPolarHBondContact CA-OE2 3.49Å; K30-E33 PolarHBondContact O-N 3.49Å; E33-I35 PolarHBondContact O-N 3Å; E33-V36 PolarHBondContact O-N 3.28Å; E33-V36 VanDerWaalsContact O-N 3.11Å; E33-E37 PolarHBondContact O-N 2.97Å
34L78.1Confident81Confident107 Ų107117.9 Ų117.956%0.5655%0.548SS*.Hα-helixtrans-58.1-39.9175.2-83.2164.3000114K30 V36 E37 E38K30-L34 HydrophobicContact CG-CD1 4.44Å; K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 3.08Å; L34-V36 VanDerWaalsContact C-N 3.34Å; L34-E37 PolarHBondContact O-N 3.34Å; L34-E38 VanDerWaalsContact O-CB 3.32Å; L34-E38 WeakPolarHBondContact O-CB 3.31Å; L34-E38 PolarHBondContact O-N 3.47Å
35I77.1Confident81.6Confident67 Ų67118.2 Ų118.234%0.34455%0.546SS..Hα-helixtrans-66.2-37.1177-72.3165.2000111.2R31 K32 E33 Q39R31-I35 HydrophobicContact CG-CD1 4.02Å; R31-I35 WeakPolarHBondContact O-CB 3.24Å; R31-I35 WeakPolarHBondContact O-CD1 3.41Å; R31-I35 WeakPolarHBondContact O-CG1 3.24Å; R31-I35 PolarHBondContact O-N 2.89Å; R31-I35 VanDerWaalsContact O-N 3.08Å; K32-I35 PolarHBondContact O-N 3.11Å; E33-I35 PolarHBondContact O-N 3Å; I35-Q39 VanDerWaalsContact O-CB 3.31Å; I35-Q39 WeakPolarHBondContact O-CB 3.33Å; I35-Q39 VanDerWaalsContact O-CG 3.23Å; I35-Q39 WeakPolarHBondContact O-CG 3.24Å; I35-Q39 PolarHBondContact O-N 3.14Å
36V77.1Confident82.1Confident98 Ų98117.6 Ų117.659%0.59455%0.55SS*.Hα-helixtrans-68.8-43.7174.9171.50000110.6K32 E33 L34 E38 Q39 R40K32-V36 WeakPolarHBondContact O-CG2 3.31Å; K32-V36 PolarHBondContact O-N 3.34Å; E33-V36 PolarHBondContact O-N 3.28Å; E33-V36 VanDerWaalsContact O-N 3.11Å; L34-V36 VanDerWaalsContact C-N 3.34Å; V36-E38 PolarHBondContact O-N 2.75Å; V36-Q39 PolarHBondContact O-N 3.39Å; V36-R40 WeakPolarHBondContact O-CB 3.46Å; V36-R40 PolarHBondContact O-N 2.9Å
37E76.8Confident82.6Confident127 Ų127114.8 Ų114.859%0.59354%0.542SS*.Hα-helixtrans-60.3-42.5176.7-146.790.9-109.500111.9E33 L34 P41E33-E37 PolarHBondContact O-N 2.97Å; L34-E37 PolarHBondContact O-N 3.34Å; E37-P41 VanDerWaalsContact O-CD 3.24Å; E37-P41 WeakPolarHBondContact O-CD 3.23Å
38E78Confident83.4Confident127 Ų127115.5 Ų115.559%0.59354%0.543SS*.Hα-helixtrans-72.4-32.4179-171-177.417700113L34 V36L34-E38 VanDerWaalsContact O-CB 3.32Å; L34-E38 WeakPolarHBondContact O-CB 3.31Å; L34-E38 PolarHBondContact O-N 3.47Å; V36-E38 PolarHBondContact O-N 2.75Å
39Q79.2Confident84Confident119 Ų119114.5 Ų114.556%0.55654%0.538SS*.Hα-helixtrans-82.3-25.6177.4-72.5-179.93.900113.2I35 V36 R42 L43I35-Q39 VanDerWaalsContact O-CB 3.31Å; I35-Q39 WeakPolarHBondContact O-CB 3.33Å; I35-Q39 VanDerWaalsContact O-CG 3.23Å; I35-Q39 WeakPolarHBondContact O-CG 3.24Å; I35-Q39 PolarHBondContact O-N 3.14Å; V36-Q39 PolarHBondContact O-N 3.39Å; Q39-R42 WeakPolarHBondContact O-CB 3.32Å; Q39-R42 PolarHBondContact O-N 2.95Å; Q39-R42 VanDerWaalsContact O-N 3.11Å; Q39-L43 PolarHBondContact O-N 3.05Å
40R82.6Confident84.4Confident138 Ų138112.7 Ų112.752%0.52153%0.534SS..Hα-helixtrans-50.9-54.3-178.5180174.9-179.71694.3114.6V36 R42 L43 E44V36-R40 WeakPolarHBondContact O-CB 3.46Å; V36-R40 PolarHBondContact O-N 2.9Å; R40-R42 PolarHBondContact O-N 2.91Å; R40-L43 WeakPolarHBondContact O-CB 3.49Å; R40-L43 PolarHBondContact O-N 3.09Å; R40-L43 VanDerWaalsContact O-N 3.09Å; R40-E44 HydrophobicContact CG-CG 4.41Å; R40-E44 WeakPolarHBondContact CG-OE1 3.39Å; R40-E44 IonicContact CZ-OE1 3.41Å; R40-E44 IonicContact NE-OE1 2.75Å; R40-E44 PolarHBondContact NE-OE1 3.27Å; R40-E44 IonicContact NH2-OE1 3.14Å; R40-E44 PolarHBondContact NH2-OE1 3.11Å; R40-E44 VanDerWaalsContact NH2-OE1 3.14Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 2.96Å
41P84.9Confident85Confident74 Ų74111 Ų11148%0.48153%0.532SS..Hα-helixtrans-64.9-28.3-179.725.1-34.7000112.7E37 Q45E37-P41 VanDerWaalsContact O-CD 3.24Å; E37-P41 WeakPolarHBondContact O-CD 3.23Å; P41-Q45 WeakPolarHBondContact O-CB 3.34Å; P41-Q45 PolarHBondContact O-N 3.03Å
42R84.7Confident85.7Confident165 Ų165106.8 Ų106.862%0.62352%0.522SS*.Hα-helixtrans-71.5-37.5173.8-57.8-172.9-171.6-1775.7111.7Q39 R40 V46Q39-R42 WeakPolarHBondContact O-CB 3.32Å; Q39-R42 PolarHBondContact O-N 2.95Å; Q39-R42 VanDerWaalsContact O-N 3.11Å; R40-R42 PolarHBondContact O-N 2.91Å; R42-V46 WeakPolarHBondContact O-CB 3.3Å; R42-V46 VanDerWaalsContact O-CG2 3.3Å; R42-V46 WeakPolarHBondContact O-CG2 3.46Å; R42-V46 PolarHBondContact O-N 3.43Å
43L86.4Confident86.4Confident113 Ų113104.2 Ų104.259%0.59252%0.519SS*.Hα-helixtrans-68.2-41.9175-179.761.8000111.4Q39 R40 V46 L47Q39-L43 PolarHBondContact O-N 3.05Å; R40-L43 WeakPolarHBondContact O-CB 3.49Å; R40-L43 PolarHBondContact O-N 3.09Å; R40-L43 VanDerWaalsContact O-N 3.09Å; L43-V46 PolarHBondContact O-N 2.89Å; L43-L47 HydrophobicContact CG-CD1 4.34Å; L43-L47 WeakPolarHBondContact O-CB 3.41Å; L43-L47 PolarHBondContact O-N 2.94Å
44E89.3Confident87Confident97 Ų97104.7 Ų104.745%0.45352%0.52SS..Hα-helixtrans-63.9-40.7175.2-71.3170172.600111.2R40 L47 F48R40-E44 HydrophobicContact CG-CG 4.41Å; R40-E44 WeakPolarHBondContact CG-OE1 3.39Å; R40-E44 IonicContact CZ-OE1 3.41Å; R40-E44 IonicContact NE-OE1 2.75Å; R40-E44 PolarHBondContact NE-OE1 3.27Å; R40-E44 IonicContact NH2-OE1 3.14Å; R40-E44 PolarHBondContact NH2-OE1 3.11Å; R40-E44 VanDerWaalsContact NH2-OE1 3.14Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 2.96Å; E44-L47 PolarHBondContact O-N 3.44Å; E44-F48 PolarHBondContact O-N 2.95Å
45Q91.4Very high87.7Confident119 Ų119105.7 Ų105.756%0.55652%0.521SS*.Hα-helixtrans-63.9-48.8172.6-175.9173.33.300112.6P41 L47 F48 D49P41-Q45 WeakPolarHBondContact O-CB 3.34Å; P41-Q45 PolarHBondContact O-N 3.03Å; Q45-L47 PolarHBondContact O-N 3.29Å; Q45-F48 WeakPolarHBondContact O-CB 3.19Å; Q45-F48 PolarHBondContact O-N 2.72Å; Q45-D49 VanDerWaalsContact O-CG 3.29Å; Q45-D49 PolarHBondContact O-N 2.98Å
46V90.8Very high88.5Confident92 Ų92106 Ų10656%0.55853%0.528SS*.Hα-helixtrans-62.9-31.4178168.50000112.1R42 L43 L50R42-V46 WeakPolarHBondContact O-CB 3.3Å; R42-V46 VanDerWaalsContact O-CG2 3.3Å; R42-V46 WeakPolarHBondContact O-CG2 3.46Å; R42-V46 PolarHBondContact O-N 3.43Å; L43-V46 PolarHBondContact O-N 2.89Å; V46-L50 WeakPolarHBondContact O-CB 3.43Å; V46-L50 PolarHBondContact O-N 3.04Å
47L92.3Very high89.2Confident96 Ų96103.4 Ų103.450%0.50352%0.518SS..Hα-helixtrans-66.4-43.6171.1-97.5155.8000112.2L43 E44 Q45 L50 T51L43-L47 HydrophobicContact CG-CD1 4.34Å; L43-L47 WeakPolarHBondContact O-CB 3.41Å; L43-L47 PolarHBondContact O-N 2.94Å; E44-L47 PolarHBondContact O-N 3.44Å; Q45-L47 PolarHBondContact O-N 3.29Å; L47-L50 PolarHBondContact O-N 3.21Å; L47-T51 PolarHBondContact O-N 3.33Å; L47-T51 PolarHBondContact O-OG1 2.87Å
48F94.1Very high90Very high127 Ų127102.1 Ų102.156%0.55751%0.514SS*.Hα-helixtrans-62.4-50.3175.4178.4-95.7000111.7E44 Q45 L50 T51 L52E44-F48 PolarHBondContact O-N 2.95Å; Q45-F48 WeakPolarHBondContact O-CB 3.19Å; Q45-F48 PolarHBondContact O-N 2.72Å; F48-L50 VanDerWaalsContact C-N 3.28Å; F48-L50 PolarHBondContact O-N 3.44Å; F48-T51 WeakPolarHBondContact CA-OG1 3.46Å; F48-T51 PolarHBondContact O-N 3Å; F48-T51 PolarHBondContact O-OG1 3.06Å; F48-L52 PolarHBondContact O-N 3.1Å
49D93.8Very high90.7Very high69 Ų6999.8 Ų99.837%0.36951%0.509SS..Hα-helixtrans-58.4-41.2177.9-63.1-23.3000110.9Q45 L52 V53Q45-D49 VanDerWaalsContact O-CG 3.29Å; Q45-D49 PolarHBondContact O-N 2.98Å; D49-L52 PolarHBondContact O-N 3.05Å; D49-V53 WeakPolarHBondContact O-CG2 3.45Å; D49-V53 PolarHBondContact O-N 3.3Å
50L93.4Very high91.3Very high88 Ų8899.1 Ų99.146%0.46151%0.512SS..Hα-helixtrans-65.2-36.9174.9-18063.2000112.9V46 L47 F48 K54V46-L50 WeakPolarHBondContact O-CB 3.43Å; V46-L50 PolarHBondContact O-N 3.04Å; L47-L50 PolarHBondContact O-N 3.21Å; F48-L50 VanDerWaalsContact C-N 3.28Å; F48-L50 PolarHBondContact O-N 3.44Å; L50-K54 VanDerWaalsContact O-CG 3.32Å; L50-K54 WeakPolarHBondContact O-CG 3.33Å; L50-K54 PolarHBondContact O-N 3.36Å; L50-K54 VanDerWaalsContact O-N 3.16Å
51T93.9Very high91.8Very high70 Ų7098.9 Ų98.943%0.42952%0.517SS..Hα-helixtrans-69.7-37.8173.846.50000112.4L47 F48 K54 Q55L47-T51 PolarHBondContact O-N 3.33Å; L47-T51 PolarHBondContact O-OG1 2.87Å; F48-T51 WeakPolarHBondContact CA-OG1 3.46Å; F48-T51 PolarHBondContact O-N 3Å; F48-T51 PolarHBondContact O-OG1 3.06Å; T51-K54 PolarHBondContact O-N 3.16Å; T51-Q55 PolarHBondContact O-N 3.33Å
52L94.8Very high92.2Very high84 Ų84100.6 Ų100.644%0.4452%0.522SS..Hα-helixtrans-63.6-49175.8-16486.8000110.9F48 D49 K54 Q55 C56F48-L52 PolarHBondContact O-N 3.1Å; D49-L52 PolarHBondContact O-N 3.05Å; L52-K54 VanDerWaalsContact C-N 3.27Å; L52-K54 PolarHBondContact O-N 2.93Å; L52-Q55 PolarHBondContact O-N 2.9Å; L52-Q55 VanDerWaalsContact O-N 3.1Å; L52-C56 PolarHBondContact O-N 3.13Å; L52-C56 PolarHBondContact O-SG 3.38Å; L52-C56 VanDerWaalsContact O-SG 3.4Å
53V95.1Very high92.5Very high96 Ų9697.7 Ų97.758%0.58252%0.519SS*.Hα-helixtrans-58.8-37.7177.2168.80000111.8D49 C56 A57D49-V53 WeakPolarHBondContact O-CG2 3.45Å; D49-V53 PolarHBondContact O-N 3.3Å; V53-C56 PolarHBondContact O-N 3.44Å; V53-A57 WeakPolarHBondContact O-CB 3.4Å; V53-A57 PolarHBondContact O-N 3.43Å
54K93.7Very high92.8Very high126 Ų12694.2 Ų94.255%0.54851%0.511SS..Hα-helixtrans-66.9-40.2174.6-76.9177.6176.4-170.50113.2L50 T51 L52 A57 L58L50-K54 VanDerWaalsContact O-CG 3.32Å; L50-K54 WeakPolarHBondContact O-CG 3.33Å; L50-K54 PolarHBondContact O-N 3.36Å; L50-K54 VanDerWaalsContact O-N 3.16Å; T51-K54 PolarHBondContact O-N 3.16Å; L52-K54 VanDerWaalsContact C-N 3.27Å; L52-K54 PolarHBondContact O-N 2.93Å; K54-A57 PolarHBondContact O-N 2.89Å; K54-L58 WeakPolarHBondContact O-CG 3.32Å; K54-L58 PolarHBondContact O-N 3.4Å; K54-L58 VanDerWaalsContact O-N 3.13Å
55Q93Very high93Very high127 Ų12792.6 Ų92.659%0.59351%0.514SS*.Hα-helixtrans-66.1-42.8175-73.5177.6-24.400111.4T51 L52 A57 L58 V59T51-Q55 PolarHBondContact O-N 3.33Å; L52-Q55 PolarHBondContact O-N 2.9Å; L52-Q55 VanDerWaalsContact O-N 3.1Å; Q55-A57 VanDerWaalsContact C-N 3.33Å; Q55-A57 PolarHBondContact O-N 3.05Å; Q55-L58 PolarHBondContact O-N 3.45Å; Q55-V59 WeakPolarHBondContact O-CG2 3.48Å; Q55-V59 PolarHBondContact O-N 2.92Å
56C92.3Very high93.1Very high73 Ų7388.7 Ų88.749%0.49351%0.506SS..Hα-helixtrans-60.6-39.6173.3-68.50000112.6L52 V53 V60L52-C56 PolarHBondContact O-N 3.13Å; L52-C56 PolarHBondContact O-SG 3.38Å; L52-C56 VanDerWaalsContact O-SG 3.4Å; V53-C56 PolarHBondContact O-N 3.44Å; C56-V60 VanDerWaalsContact O-CG2 3.3Å; C56-V60 WeakPolarHBondContact O-CG2 3.36Å; C56-V60 PolarHBondContact O-N 2.9Å
57A92.6Very high93.2Very high45 Ų4591.6 Ų91.637%0.37252%0.515SS..Hα-helixtrans-63.1-49177.500000111.9V53 K54 Q55 V59 V60 E61V53-A57 WeakPolarHBondContact O-CB 3.4Å; V53-A57 PolarHBondContact O-N 3.43Å; K54-A57 PolarHBondContact O-N 2.89Å; Q55-A57 VanDerWaalsContact C-N 3.33Å; Q55-A57 PolarHBondContact O-N 3.05Å; A57-V59 PolarHBondContact O-N 3.5Å; A57-V60 PolarHBondContact O-N 3.09Å; A57-V60 VanDerWaalsContact O-N 3.1Å; A57-E61 PolarHBondContact O-N 3.25Å
58L93.3Very high93.3Very high99 Ų9989.8 Ų89.852%0.51851%0.514SS..Hα-helixtrans-58-47.5176.3-69.2169.2000111.5K54 Q55 V60 E61 D62K54-L58 WeakPolarHBondContact O-CG 3.32Å; K54-L58 PolarHBondContact O-N 3.4Å; K54-L58 VanDerWaalsContact O-N 3.13Å; Q55-L58 PolarHBondContact O-N 3.45Å; L58-V60 PolarHBondContact O-N 2.95Å; L58-E61 PolarHBondContact O-N 3.1Å; L58-E61 VanDerWaalsContact O-N 3.09Å; L58-D62 WeakPolarHBondContact O-CB 3.37Å; L58-D62 VanDerWaalsContact O-CG 3.3Å; L58-D62 PolarHBondContact O-N 2.93Å
59V92.6Very high93.4Very high79 Ų7989.8 Ų89.848%0.47952%0.516SS..Hα-helixtrans-62.8-29.2177.7171.50000112.4Q55 A57 N63Q55-V59 WeakPolarHBondContact O-CG2 3.48Å; Q55-V59 PolarHBondContact O-N 2.92Å; A57-V59 PolarHBondContact O-N 3.5Å; V59-N63 WeakPolarHBondContact CG1-ND2 3.45Å; V59-N63 VanDerWaalsContact O-CB 3.25Å; V59-N63 WeakPolarHBondContact O-CB 3.3Å; V59-N63 VanDerWaalsContact O-CG 3.24Å; V59-N63 PolarHBondContact O-N 2.95Å; V59-N63 VanDerWaalsContact O-N 3.09Å; V59-N63 PolarHBondContact O-ND2 3.01Å
60V93.2Very high93.4Very high104 Ų10488.7 Ų88.763%0.6352%0.516SS*.Hα-helixtrans-75.8-37173.8167.60000111.7C56 A57 L58 G64C56-V60 VanDerWaalsContact O-CG2 3.3Å; C56-V60 WeakPolarHBondContact O-CG2 3.36Å; C56-V60 PolarHBondContact O-N 2.9Å; A57-V60 PolarHBondContact O-N 3.09Å; A57-V60 VanDerWaalsContact O-N 3.1Å; L58-V60 PolarHBondContact O-N 2.95Å; V60-G64 PolarHBondContact O-N 3.34Å
61E92.9Very high93.5Very high134 Ų13488.5 Ų88.563%0.62652%0.516SS*.Hα-helixtrans-66.5-47.2174-70.6174.8167.600111.2A57 L58 G64 A65A57-E61 PolarHBondContact O-N 3.25Å; L58-E61 PolarHBondContact O-N 3.1Å; L58-E61 VanDerWaalsContact O-N 3.09Å; E61-G64 PolarHBondContact O-N 3.43Å; E61-A65 PolarHBondContact O-N 2.83Å
62D92.7Very high93.6Very high109 Ų10988.6 Ų88.658%0.58352%0.516SS*.Hα-helixtrans-60.8-47.1176.8-67.6-30.4000111.9L58 G64 A65 G66L58-D62 WeakPolarHBondContact O-CB 3.37Å; L58-D62 VanDerWaalsContact O-CG 3.3Å; L58-D62 PolarHBondContact O-N 2.93Å; D62-G64 VanDerWaalsContact C-N 3.3Å; D62-G64 PolarHBondContact O-N 3.17Å; D62-A65 PolarHBondContact O-N 2.77Å; D62-G66 PolarHBondContact O-N 3.09Å
63N91.3Very high93.6Very high104 Ų10490 Ų9056%0.55652%0.522SS*.Hα-helixtrans-65.8-32.5175.4-78-48.6000112.4V59 M67V59-N63 WeakPolarHBondContact CG1-ND2 3.45Å; V59-N63 VanDerWaalsContact O-CB 3.25Å; V59-N63 WeakPolarHBondContact O-CB 3.3Å; V59-N63 VanDerWaalsContact O-CG 3.24Å; V59-N63 PolarHBondContact O-N 2.95Å; V59-N63 VanDerWaalsContact O-N 3.09Å; V59-N63 PolarHBondContact O-ND2 3.01Å; N63-M67 WeakPolarHBondContact O-CB 3.25Å; N63-M67 PolarHBondContact O-N 3.47Å
64G93.2Very high93.7Very high41 Ų4190.4 Ų90.442%0.42352%0.52SS..Hα-helixtrans-64.9-44.8174.300000112V60 E61 D62 M67 A68V60-G64 PolarHBondContact O-N 3.34Å; E61-G64 PolarHBondContact O-N 3.43Å; D62-G64 VanDerWaalsContact C-N 3.3Å; D62-G64 PolarHBondContact O-N 3.17Å; G64-M67 PolarHBondContact O-N 2.9Å; G64-A68 WeakPolarHBondContact O-CB 3.44Å; G64-A68 PolarHBondContact O-N 3.36Å
65A92.9Very high93.8Very high63 Ų6389.7 Ų89.752%0.52152%0.518SS..Hα-helixtrans-63.5-45.1173.700000111.9E61 D62 M67 A68 Q69E61-A65 PolarHBondContact O-N 2.83Å; D62-A65 PolarHBondContact O-N 2.77Å; A65-M67 PolarHBondContact O-N 3.49Å; A65-A68 PolarHBondContact O-N 3.09Å; A65-Q69 PolarHBondContact O-N 3.29Å
66G93.1Very high93.9Very high37 Ų3788.3 Ų88.338%0.38152%0.515SS..Hα-helixtrans-61.1-41.5176.300000113.4D62 A70D62-G66 PolarHBondContact O-N 3.09Å; G66-A70 WeakPolarHBondContact O-CB 3.35Å; G66-A70 PolarHBondContact O-N 3.35Å
67M93.7Very high94Very high152 Ų15288.2 Ų88.275%0.74952%0.515SS*.Hα-helixtrans-68-36.8173.3-84.9-158.9160.500112.9N63 G64 A65 A70 N71N63-M67 WeakPolarHBondContact O-CB 3.25Å; N63-M67 PolarHBondContact O-N 3.47Å; G64-M67 PolarHBondContact O-N 2.9Å; A65-M67 PolarHBondContact O-N 3.49Å; M67-A70 PolarHBondContact O-N 3.43Å; M67-N71 VanDerWaalsContact O-CB 3.25Å; M67-N71 WeakPolarHBondContact O-CB 3.45Å; M67-N71 PolarHBondContact O-N 3.2Å
68A94.4Very high94.1Very high59 Ų5991.4 Ų91.449%0.48852%0.523SS..Hα-helixtrans-62.3-47.1174.800000111.1G64 A65 N71 T72G64-A68 WeakPolarHBondContact O-CB 3.44Å; G64-A68 PolarHBondContact O-N 3.36Å; A65-A68 PolarHBondContact O-N 3.09Å; A68-N71 PolarHBondContact O-N 2.97Å; A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 3.29Å
69Q95.5Very high94.3Very high127 Ų12793.8 Ų93.859%0.59353%0.529SS*.Hα-helixtrans-61.9-45.2176.4-176.2-179.10.800112.2A65 N71 T72 M73A65-Q69 PolarHBondContact O-N 3.29Å; Q69-N71 VanDerWaalsContact C-N 3.3Å; Q69-N71 PolarHBondContact O-N 3.49Å; Q69-T72 WeakPolarHBondContact CA-OG1 3.39Å; Q69-T72 PolarHBondContact O-N 2.94Å; Q69-T72 PolarHBondContact O-OG1 3.01Å; Q69-M73 HydrophobicContact CG-SD 4.3Å; Q69-M73 WeakPolarHBondContact O-CG 3.34Å; Q69-M73 PolarHBondContact O-N 2.99Å
70A94.4Very high94.4Very high46 Ų4695.6 Ų95.638%0.3853%0.533SS..Hα-helixtrans-61.4-40.3176.200000111.6G66 M67 M73 I74G66-A70 WeakPolarHBondContact O-CB 3.35Å; G66-A70 PolarHBondContact O-N 3.35Å; M67-A70 PolarHBondContact O-N 3.43Å; A70-M73 PolarHBondContact O-N 3.41Å; A70-I74 WeakPolarHBondContact O-CD1 3.26Å; A70-I74 VanDerWaalsContact O-CG1 3.26Å; A70-I74 WeakPolarHBondContact O-CG1 3.37Å; A70-I74 PolarHBondContact O-N 3.39Å
71N95.1Very high94.4Very high84 Ų8495.3 Ų95.345%0.44953%0.527SS..Hα-helixtrans-67.8-39.2178-173.268.6000112.4M67 A68 Q69 I74 Q75M67-N71 VanDerWaalsContact O-CB 3.25Å; M67-N71 WeakPolarHBondContact O-CB 3.45Å; M67-N71 PolarHBondContact O-N 3.2Å; A68-N71 PolarHBondContact O-N 2.97Å; Q69-N71 VanDerWaalsContact C-N 3.3Å; Q69-N71 PolarHBondContact O-N 3.49Å; N71-I74 PolarHBondContact O-N 2.92Å; N71-Q75 PolarHBondContact ND2-NE2 2.97Å; N71-Q75 WeakPolarHBondContact O-CG 3.25Å; N71-Q75 PolarHBondContact O-N 2.94Å
72T95.9Very high94.5Very high72 Ų7292.5 Ų92.544%0.44252%0.519SS..Hα-helixtrans-65.2-41.5172.948.10000111.9A68 Q69 I74 Q75 D76A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 3.29Å; Q69-T72 WeakPolarHBondContact CA-OG1 3.39Å; Q69-T72 PolarHBondContact O-N 2.94Å; Q69-T72 PolarHBondContact O-OG1 3.01Å; T72-I74 VanDerWaalsContact C-N 3.33Å; T72-I74 PolarHBondContact O-N 3.16Å; T72-Q75 PolarHBondContact O-N 3.27Å; T72-Q75 VanDerWaalsContact O-N 3.16Å; T72-D76 PolarHBondContact O-N 2.92Å
73M95.7Very high94.6Very high112 Ų11292.2 Ų92.255%0.55251%0.51SS*.Hα-helixtrans-62.4-38.8175.4-70.4176.269.400112.4Q69 A70 C77Q69-M73 HydrophobicContact CG-SD 4.3Å; Q69-M73 WeakPolarHBondContact O-CG 3.34Å; Q69-M73 PolarHBondContact O-N 2.99Å; A70-M73 PolarHBondContact O-N 3.41Å; M73-C77 WeakPolarHBondContact O-CB 3.32Å; M73-C77 PolarHBondContact O-N 3.39Å; M73-C77 PolarHBondContact O-SG 2.96Å
74I95.9Very high94.7Very high105 Ų10592 Ų9254%0.53851%0.508SS..Hα-helixtrans-64.7-41.4174.3-70.7163.9000110.9A70 N71 T72 C77 M78A70-I74 WeakPolarHBondContact O-CD1 3.26Å; A70-I74 VanDerWaalsContact O-CG1 3.26Å; A70-I74 WeakPolarHBondContact O-CG1 3.37Å; A70-I74 PolarHBondContact O-N 3.39Å; N71-I74 PolarHBondContact O-N 2.92Å; T72-I74 VanDerWaalsContact C-N 3.33Å; T72-I74 PolarHBondContact O-N 3.16Å; I74-C77 PolarHBondContact O-N 2.95Å; I74-M78 HydrophobicContact CG2-CG 4.47Å; I74-M78 WeakPolarHBondContact O-CB 3.48Å; I74-M78 VanDerWaalsContact O-CG 3.26Å; I74-M78 WeakPolarHBondContact O-CG 3.26Å; I74-M78 PolarHBondContact O-N 2.95Å
75Q95.5Very high94.6Very high111 Ų11196.1 Ų96.152%0.51952%0.516SS..Hα-helixtrans-64.9-43.8177.7-73.5175.3-11.600112.3N71 T72 M78 F79N71-Q75 PolarHBondContact ND2-NE2 2.97Å; N71-Q75 WeakPolarHBondContact O-CG 3.25Å; N71-Q75 PolarHBondContact O-N 2.94Å; T72-Q75 PolarHBondContact O-N 3.27Å; T72-Q75 VanDerWaalsContact O-N 3.16Å; Q75-M78 PolarHBondContact O-N 3.48Å; Q75-F79 WeakPolarHBondContact O-CB 3.46Å; Q75-F79 PolarHBondContact O-N 3Å
76D95.9Very high94.5Very high99 Ų9996.9 Ų96.953%0.52951%0.508SS..Hα-helixtrans-63.4-43.4175.7-74.8-15.5000112T72 F79 Q80T72-D76 PolarHBondContact O-N 2.92Å; D76-F79 PolarHBondContact O-N 3.36Å; D76-Q80 WeakPolarHBondContact O-CG 3.48Å; D76-Q80 PolarHBondContact O-N 3.34Å
77C94.8Very high94.4Very high71 Ų7199.2 Ų99.248%0.4851%0.512SS..Hα-helixtrans-61.2-44.8174.9-75.70000112.1M73 I74 F79 Q80 I81M73-C77 WeakPolarHBondContact O-CB 3.32Å; M73-C77 PolarHBondContact O-N 3.39Å; M73-C77 PolarHBondContact O-SG 2.96Å; I74-C77 PolarHBondContact O-N 2.95Å; C77-F79 PolarHBondContact O-N 3.36Å; C77-Q80 PolarHBondContact O-N 2.95Å; C77-I81 WeakPolarHBondContact O-CD1 3.28Å; C77-I81 VanDerWaalsContact O-CG1 3.28Å; C77-I81 WeakPolarHBondContact O-CG1 3.49Å; C77-I81 PolarHBondContact O-N 2.95Å
78M95.1Very high94.1Very high111 Ų11196.1 Ų96.155%0.54750%0.498SS..Hα-helixtrans-61.9-42.7176.2-73.6-65-61.900111.7I74 Q75 I81 T82I74-M78 HydrophobicContact CG2-CG 4.47Å; I74-M78 WeakPolarHBondContact O-CB 3.48Å; I74-M78 VanDerWaalsContact O-CG 3.26Å; I74-M78 WeakPolarHBondContact O-CG 3.26Å; I74-M78 PolarHBondContact O-N 2.95Å; Q75-M78 PolarHBondContact O-N 3.48Å; M78-I81 PolarHBondContact O-N 3.5Å; M78-T82 PolarHBondContact O-N 2.94Å; M78-T82 PolarHBondContact O-OG1 2.99Å
79F96.1Very high93.9Very high149 Ų149100.9 Ų100.965%0.65451%0.51SS*.Hα-helixtrans-61.7-43.1176.1176.9-101.6000112.2Q75 D76 C77 R83Q75-F79 WeakPolarHBondContact O-CB 3.46Å; Q75-F79 PolarHBondContact O-N 3Å; D76-F79 PolarHBondContact O-N 3.36Å; C77-F79 PolarHBondContact O-N 3.36Å; F79-R83 WeakPolarHBondContact O-CB 3.29Å; F79-R83 PolarHBondContact O-N 3.32Å
80Q95.1Very high93.6Very high117 Ų117100.4 Ų100.455%0.54751%0.509SS..Hα-helixtrans-63.1-42.4175.7-71.9178.539.100112.2D76 C77 R83 I84D76-Q80 WeakPolarHBondContact O-CG 3.48Å; D76-Q80 PolarHBondContact O-N 3.34Å; C77-Q80 PolarHBondContact O-N 2.95Å; Q80-R83 PolarHBondContact O-N 3.32Å; Q80-I84 VanDerWaalsContact O-CG1 3.29Å; Q80-I84 WeakPolarHBondContact O-CG1 3.34Å; Q80-I84 PolarHBondContact O-N 3.33Å
81I94Very high93.3Very high99 Ų99101 Ų10151%0.50852%0.515SS..Hα-helixtrans-60.2-52.9177.1-69.7163.1000110.6C77 M78 R83 I84 E85C77-I81 WeakPolarHBondContact O-CD1 3.28Å; C77-I81 VanDerWaalsContact O-CG1 3.28Å; C77-I81 WeakPolarHBondContact O-CG1 3.49Å; C77-I81 PolarHBondContact O-N 2.95Å; M78-I81 PolarHBondContact O-N 3.5Å; I81-R83 VanDerWaalsContact C-N 3.27Å; I81-R83 PolarHBondContact O-N 3.3Å; I81-I84 PolarHBondContact O-N 3.4Å; I81-I84 VanDerWaalsContact O-N 3.13Å; I81-E85 PolarHBondContact O-N 2.96Å
82T95.4Very high93.1Very high75 Ų7598 Ų9846%0.4650%0.503SS..Hα-helixtrans-61.8-35.2178.6-58.70000112M78 E85 E86M78-T82 PolarHBondContact O-N 2.94Å; M78-T82 PolarHBondContact O-OG1 2.99Å; T82-E85 PolarHBondContact O-N 3.13Å; T82-E86 WeakPolarHBondContact O-CB 3.36Å; T82-E86 PolarHBondContact O-N 3.02Å
83R94.6Very high92.8Very high103 Ų10399.2 Ų99.239%0.38951%0.506SS..Hα-helixtrans-70-33.3176.3-175.555.7-178.4176.86.5112.8F79 Q80 I81 E86 L87F79-R83 WeakPolarHBondContact O-CB 3.29Å; F79-R83 PolarHBondContact O-N 3.32Å; Q80-R83 PolarHBondContact O-N 3.32Å; I81-R83 VanDerWaalsContact C-N 3.27Å; I81-R83 PolarHBondContact O-N 3.3Å; R83-E86 VanDerWaalsContact CD-OE2 3.32Å; R83-E86 WeakPolarHBondContact CD-OE2 3.4Å; R83-E86 IonicContact CZ-OE2 3.65Å; R83-E86 IonicContact NE-OE2 3.91Å; R83-E86 IonicContact NH1-OE1 2.84Å; R83-E86 PolarHBondContact NH1-OE1 2.84Å; R83-E86 IonicContact NH1-OE2 2.68Å; R83-E86 PolarHBondContact NH1-OE2 2.68Å; R83-L87 HydrophobicContact CG-CD1 4.24Å; R83-L87 WeakPolarHBondContact O-CB 3.19Å; R83-L87 WeakPolarHBondContact O-CD1 3.31Å; R83-L87 WeakPolarHBondContact O-CG 3.32Å; R83-L87 PolarHBondContact O-N 3.07Å
84I92.1Very high92.3Very high100 Ų100101.8 Ų101.851%0.51352%0.517SS..Hα-helixtrans-69.1-42173.1-69.8163.7000110.3Q80 I81 L87 L88Q80-I84 VanDerWaalsContact O-CG1 3.29Å; Q80-I84 WeakPolarHBondContact O-CG1 3.34Å; Q80-I84 PolarHBondContact O-N 3.33Å; I81-I84 PolarHBondContact O-N 3.4Å; I81-I84 VanDerWaalsContact O-N 3.13Å; I84-L87 PolarHBondContact O-N 3.32Å; I84-L88 HydrophobicContact CG2-CD1 3.98Å; I84-L88 HydrophobicContact CG2-CG 4.49Å; I84-L88 VanDerWaalsContact O-CG 3.31Å; I84-L88 WeakPolarHBondContact O-CG 3.32Å; I84-L88 PolarHBondContact O-N 2.97Å
85E90.6Very high92.1Very high126 Ų126101.5 Ų101.559%0.58952%0.516SS*.Hα-helixtrans-59-50175.3-171.6170.1-151.500111.6I81 T82 L87 L88 E89I81-E85 PolarHBondContact O-N 2.96Å; T82-E85 PolarHBondContact O-N 3.13Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.43Å; E85-L88 PolarHBondContact O-N 2.98Å; E85-L88 VanDerWaalsContact O-N 3.14Å; E85-E89 PolarHBondContact O-N 3.24Å
86E91.8Very high92.1Very high79 Ų79100.9 Ų100.937%0.36952%0.516SS..Hα-helixtrans-59-38.6174.4-168-159.2160.300112.4T82 R83 M90T82-E86 WeakPolarHBondContact O-CB 3.36Å; T82-E86 PolarHBondContact O-N 3.02Å; R83-E86 VanDerWaalsContact CD-OE2 3.32Å; R83-E86 WeakPolarHBondContact CD-OE2 3.4Å; R83-E86 IonicContact CZ-OE2 3.65Å; R83-E86 IonicContact NE-OE2 3.91Å; R83-E86 IonicContact NH1-OE1 2.84Å; R83-E86 PolarHBondContact NH1-OE1 2.84Å; R83-E86 IonicContact NH1-OE2 2.68Å; R83-E86 PolarHBondContact NH1-OE2 2.68Å; E86-M90 HydrophobicContact CG-CE 4.08Å; E86-M90 WeakPolarHBondContact O-CB 3.31Å; E86-M90 VanDerWaalsContact O-CG 3.31Å; E86-M90 WeakPolarHBondContact O-CG 3.42Å; E86-M90 PolarHBondContact O-N 2.95Å
87L90.8Very high91.9Very high86 Ų86101.5 Ų101.545%0.4552%0.519SS..Hα-helixtrans-68.4-34.9176.5-77.6165.1000112.6R83 I84 E85 M90 A91R83-L87 HydrophobicContact CG-CD1 4.24Å; R83-L87 WeakPolarHBondContact O-CB 3.19Å; R83-L87 WeakPolarHBondContact O-CD1 3.31Å; R83-L87 WeakPolarHBondContact O-CG 3.32Å; R83-L87 PolarHBondContact O-N 3.07Å; I84-L87 PolarHBondContact O-N 3.32Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.43Å; L87-M90 HydrophobicContact CD2-CE 3.89Å; L87-M90 HydrophobicContact CG-CE 4.37Å; L87-A91 WeakPolarHBondContact O-CB 3.21Å; L87-A91 PolarHBondContact O-N 3.14Å
88L87.8Confident91.9Very high88 Ų88104.9 Ų104.946%0.46152%0.522SS..Hα-helixtrans-72.6-36.8175.9-69.5167000112I84 E85 G92 L93I84-L88 HydrophobicContact CG2-CD1 3.98Å; I84-L88 HydrophobicContact CG2-CG 4.49Å; I84-L88 VanDerWaalsContact O-CG 3.31Å; I84-L88 WeakPolarHBondContact O-CG 3.32Å; I84-L88 PolarHBondContact O-N 2.97Å; E85-L88 PolarHBondContact O-N 2.98Å; E85-L88 VanDerWaalsContact O-N 3.14Å; L88-G92 PolarHBondContact O-N 3.35Å; L88-L93 HydrophobicContact CD2-CD2 3.81Å; L88-L93 PolarHBondContact O-N 3.23Å
89E89.4Confident91.9Very high158 Ų158106.9 Ų106.974%0.73853%0.525SS*.Hα-helixtrans-67.3-49172.7-171.3178.5-164.400111.2E85 A91 G92E85-E89 PolarHBondContact O-N 3.24Å; E89-A91 VanDerWaalsContact C-N 3.28Å; E89-A91 PolarHBondContact O-N 2.87Å; E89-G92 WeakPolarHBondContact O-CA 3.4Å; E89-G92 PolarHBondContact O-N 2.96Å
90M89.6Confident91.9Very high117 Ų117103.4 Ų103.458%0.57652%0.516SS*.Hα-helixtrans-63-30.7175.8-76.3-168.2-6400113.5E86 L87 G92E86-M90 HydrophobicContact CG-CE 4.08Å; E86-M90 WeakPolarHBondContact O-CB 3.31Å; E86-M90 VanDerWaalsContact O-CG 3.31Å; E86-M90 WeakPolarHBondContact O-CG 3.42Å; E86-M90 PolarHBondContact O-N 2.95Å; L87-M90 HydrophobicContact CD2-CE 3.89Å; L87-M90 HydrophobicContact CG-CE 4.37Å; M90-G92 PolarHBondContact O-N 3.43Å
91A88.8Confident92Very high60 Ų60102 Ų10250%0.49652%0.515SS..THydrogen-bonded Turntrans-70.7-8.5171.600000113L87 E89 L93 I96L87-A91 WeakPolarHBondContact O-CB 3.21Å; L87-A91 PolarHBondContact O-N 3.14Å; E89-A91 VanDerWaalsContact C-N 3.28Å; E89-A91 PolarHBondContact O-N 2.87Å; A91-L93 PolarHBondContact O-N 2.96Å; A91-I96 WeakPolarHBondContact O-CD1 3.32Å
92G89.6Confident92.1Very high20 Ų20100.3 Ų100.321%0.20651%0.505CS..THydrogen-bonded Turntrans61.626.2-17800000112.8L88 E89 M90 Q94 D95 I96L88-G92 PolarHBondContact O-N 3.35Å; E89-G92 WeakPolarHBondContact O-CA 3.4Å; E89-G92 PolarHBondContact O-N 2.96Å; M90-G92 PolarHBondContact O-N 3.43Å; G92-Q94 PolarHBondContact O-N 3.06Å; G92-D95 PolarHBondContact O-N 3.35Å; G92-I96 WeakPolarHBondContact O-CG1 3.44Å; G92-I96 PolarHBondContact O-N 3.32Å
93L89.4Confident92.1Very high98 Ų98104.4 Ų104.451%0.51351%0.512SS..Hα-helixtrans-60.5-35.8-167.9-17365.9000112.1L88 A91 L97L88-L93 HydrophobicContact CD2-CD2 3.81Å; L88-L93 PolarHBondContact O-N 3.23Å; A91-L93 PolarHBondContact O-N 2.96Å; L93-L97 VanDerWaalsContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 PolarHBondContact O-N 3.26Å
94Q86.8Confident92.2Very high165 Ų165104.3 Ų104.377%0.77151%0.514SS*.Hα-helixtrans-68.1-39.9176-173.2164.8-15.600112.4G92 Y98G92-Q94 PolarHBondContact O-N 3.06Å; Q94-Y98 VanDerWaalsContact O-CB 3.31Å; Q94-Y98 WeakPolarHBondContact O-CB 3.19Å; Q94-Y98 PolarHBondContact O-N 2.68Å
95D91.4Very high92.5Very high99 Ų99103.7 Ų103.753%0.52951%0.509SS..Hα-helixtrans-68.7-43.8174.4-75.1-13.1000111.5G92 L97 Y98 Y99G92-D95 PolarHBondContact O-N 3.35Å; D95-L97 VanDerWaalsContact C-N 3.3Å; D95-L97 PolarHBondContact O-N 3.33Å; D95-Y98 PolarHBondContact O-N 3.3Å; D95-Y99 HydrophobicContact CB-CD2 4.27Å; D95-Y99 HydrophobicContact CB-CE2 4.26Å; D95-Y99 WeakPolarHBondContact O-CB 3.36Å; D95-Y99 WeakPolarHBondContact O-CD2 3.14Å; D95-Y99 PolarHBondContact O-N 3.46Å
96I94.3Very high92.8Very high98 Ų98101 Ų10150%0.50350%0.496SS..Hα-helixtrans-58.4-44.5175.8-68.3168.3000110A91 G92 T100A91-I96 WeakPolarHBondContact O-CD1 3.32Å; G92-I96 WeakPolarHBondContact O-CG1 3.44Å; G92-I96 PolarHBondContact O-N 3.32Å; I96-T100 WeakPolarHBondContact O-CB 3.49Å; I96-T100 PolarHBondContact O-N 2.87Å; I96-T100 PolarHBondContact O-OG1 2.82Å
97L92.9Very high93Very high113 Ų11399.4 Ų99.459%0.59249%0.489SS*.Hα-helixtrans-63.5-48.9175.4-179.161000111.4L93 D95 T100 V101L93-L97 VanDerWaalsContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 PolarHBondContact O-N 3.26Å; D95-L97 VanDerWaalsContact C-N 3.3Å; D95-L97 PolarHBondContact O-N 3.33Å; L97-T100 PolarHBondContact O-N 2.96Å; L97-V101 HydrophobicContact CD1-CG2 4.19Å; L97-V101 WeakPolarHBondContact O-CG2 3.32Å; L97-V101 PolarHBondContact O-N 3.4Å
98Y94.7Very high93.3Very high141 Ų141101.2 Ų101.255%0.55349%0.494SS*.Hα-helixtrans-57.7-52.1178.7175-100.9000112.2Q94 D95 T100 V101 H102Q94-Y98 VanDerWaalsContact O-CB 3.31Å; Q94-Y98 WeakPolarHBondContact O-CB 3.19Å; Q94-Y98 PolarHBondContact O-N 2.68Å; D95-Y98 PolarHBondContact O-N 3.3Å; Y98-T100 VanDerWaalsContact C-N 3.31Å; Y98-T100 PolarHBondContact O-N 2.84Å; Y98-V101 PolarHBondContact O-N 3.24Å; Y98-H102 WeakPolarHBondContact O-CB 3.36Å; Y98-H102 PolarHBondContact O-N 3.18Å
99Y95.4Very high93.7Very high154 Ų154101.8 Ų101.860%0.60449%0.494SS*.Hα-helixtrans-65.4-33.3177.9-73.4-58.7000112.5D95 R103D95-Y99 HydrophobicContact CB-CD2 4.27Å; D95-Y99 HydrophobicContact CB-CE2 4.26Å; D95-Y99 WeakPolarHBondContact O-CB 3.36Å; D95-Y99 WeakPolarHBondContact O-CD2 3.14Å; D95-Y99 PolarHBondContact O-N 3.46Å; Y99-R103 WeakPolarHBondContact O-CB 3.31Å; Y99-R103 PolarHBondContact O-N 3.41Å
100T95.8Very high94.1Very high76 Ų76100.8 Ų100.847%0.46648%0.483SS..Hα-helixtrans-66.9-46.9175.1-62.60000111.3I96 L97 Y98 K104I96-T100 WeakPolarHBondContact O-CB 3.49Å; I96-T100 PolarHBondContact O-N 2.87Å; I96-T100 PolarHBondContact O-OG1 2.82Å; L97-T100 PolarHBondContact O-N 2.96Å; Y98-T100 VanDerWaalsContact C-N 3.31Å; Y98-T100 PolarHBondContact O-N 2.84Å; T100-K104 WeakPolarHBondContact O-CG 3.4Å; T100-K104 PolarHBondContact O-N 3.46Å
101V96Very high94.5Very high87 Ų87101.6 Ų101.653%0.52748%0.484SS..Hα-helixtrans-62.2-51.4176.61710000110.5L97 Y98 R103 K104 E105L97-V101 HydrophobicContact CD1-CG2 4.19Å; L97-V101 WeakPolarHBondContact O-CG2 3.32Å; L97-V101 PolarHBondContact O-N 3.4Å; Y98-V101 PolarHBondContact O-N 3.24Å; V101-R103 VanDerWaalsContact C-N 3.35Å; V101-R103 PolarHBondContact O-N 3.09Å; V101-K104 PolarHBondContact O-N 2.71Å; V101-K104 VanDerWaalsContact O-N 3.07Å; V101-E105 WeakPolarHBondContact O-CB 3.45Å; V101-E105 PolarHBondContact O-N 3.02Å
102H96.8Very high94.9Very high64 Ų64103 Ų10330%0.29648%0.482SS..Hα-helixtrans-66.4-35.1-178.1-172.254000112.5Y98 K104 E105 Q106Y98-H102 WeakPolarHBondContact O-CB 3.36Å; Y98-H102 PolarHBondContact O-N 3.18Å; H102-K104 VanDerWaalsContact C-N 3.35Å; H102-K104 PolarHBondContact O-N 3.02Å; H102-E105 IonicContact CE1-OE2 3.02Å; H102-E105 IonicContact CG-OE2 3.58Å; H102-E105 IonicContact ND1-OE2 2.69Å; H102-E105 PolarHBondContact ND1-OE2 2.89Å; H102-E105 WeakPolarHBondContact O-CB 3.37Å; H102-E105 PolarHBondContact O-N 3.41Å; H102-Q106 PolarHBondContact CD2-NE2 2.9Å; H102-Q106 PolarHBondContact NE2-NE2 2.64Å; H102-Q106 WeakPolarHBondContact O-CG 3.08Å; H102-Q106 PolarHBondContact O-N 3.35Å
103R96.2Very high95.3Very high160 Ų160107.8 Ų107.860%0.60450%0.497SS*.Hα-helixtrans-61.1-43.6170.2175.8179168.8167.71111.5Y99 V101 Q106 E107Y99-R103 WeakPolarHBondContact O-CB 3.31Å; Y99-R103 PolarHBondContact O-N 3.41Å; V101-R103 VanDerWaalsContact C-N 3.35Å; V101-R103 PolarHBondContact O-N 3.09Å; R103-Q106 PolarHBondContact O-N 3.13Å; R103-E107 IonicContact CZ-OE1 2.62Å; R103-E107 IonicContact NE-OE1 3.36Å; R103-E107 PolarHBondContact NE-OE1 3.41Å; R103-E107 IonicContact NH2-OE1 3.94Å; R103-E107 PolarHBondContact NH2-OE1 2.86Å; R103-E107 WeakPolarHBondContact O-CG 3.39Å; R103-E107 PolarHBondContact O-N 2.88Å
104K97Very high95.7Very high101 Ų101108 Ų10844%0.43950%0.498SS..Hα-helixtrans-66.9-42178.1-73.1-71.9160.8-158.10111.6T100 V101 H102 Q106 E107 F108T100-K104 WeakPolarHBondContact O-CG 3.4Å; T100-K104 PolarHBondContact O-N 3.46Å; V101-K104 PolarHBondContact O-N 2.71Å; V101-K104 VanDerWaalsContact O-N 3.07Å; H102-K104 VanDerWaalsContact C-N 3.35Å; H102-K104 PolarHBondContact O-N 3.02Å; K104-Q106 PolarHBondContact O-N 3.49Å; K104-E107 IonicContact NZ-OE2 2.71Å; K104-E107 PolarHBondContact NZ-OE2 3.07Å; K104-E107 CarbonylContact O-C 3.54Å; K104-E107 WeakPolarHBondContact O-CA 3.17Å; K104-E107 WeakPolarHBondContact O-CB 3.4Å; K104-E107 PolarHBondContact O-N 2.82Å; K104-E107 VanDerWaalsContact O-N 3.11Å; K104-F108 WeakPolarHBondContact O-CD2 3.48Å; K104-F108 PolarHBondContact O-N 2.89Å
105E96.7Very high96.1Very high88 Ų88107.1 Ų107.141%0.41149%0.494SS..Hα-helixtrans-53.3-52172.2-170.1-16117400111.2V101 H102 E107 F108 Q109V101-E105 WeakPolarHBondContact O-CB 3.45Å; V101-E105 PolarHBondContact O-N 3.02Å; H102-E105 IonicContact CE1-OE2 3.02Å; H102-E105 IonicContact CG-OE2 3.58Å; H102-E105 IonicContact ND1-OE2 2.69Å; H102-E105 PolarHBondContact ND1-OE2 2.89Å; H102-E105 WeakPolarHBondContact O-CB 3.37Å; H102-E105 PolarHBondContact O-N 3.41Å; E105-E107 VanDerWaalsContact C-N 3.34Å; E105-E107 PolarHBondContact O-N 3.34Å; E105-F108 PolarHBondContact O-N 3.3Å; E105-F108 VanDerWaalsContact O-N 3.1Å; E105-Q109 WeakPolarHBondContact O-CG 3.37Å; E105-Q109 PolarHBondContact O-N 3.25Å; E105-Q109 PolarHBondContact OE1-NE2 2.9Å
106Q97.4Very high96.4Very high68 Ų68108 Ų10832%0.31850%0.495SS..Hα-helixtrans-64-35.1175.8-64.8-178.31900113H102 R103 K104 F108 R110H102-Q106 PolarHBondContact CD2-NE2 2.9Å; H102-Q106 PolarHBondContact NE2-NE2 2.64Å; H102-Q106 WeakPolarHBondContact O-CG 3.08Å; H102-Q106 PolarHBondContact O-N 3.35Å; R103-Q106 PolarHBondContact O-N 3.13Å; K104-Q106 PolarHBondContact O-N 3.49Å; Q106-F108 VanDerWaalsContact C-N 3.3Å; Q106-R110 VanDerWaalsContact CB-NH2 3.27Å; Q106-R110 WeakPolarHBondContact O-CB 3.47Å; Q106-R110 VanDerWaalsContact O-CG 3.26Å; Q106-R110 WeakPolarHBondContact O-CG 3.33Å; Q106-R110 PolarHBondContact O-N 2.88Å
107E96.3Very high96.6Very high46 Ų46107.3 Ų107.322%0.21549%0.492CS..Hα-helixtrans-64.2-33.2173-76172.6-165.400112.1R103 K104 E105 K111R103-E107 IonicContact CZ-OE1 2.62Å; R103-E107 IonicContact NE-OE1 3.36Å; R103-E107 PolarHBondContact NE-OE1 3.41Å; R103-E107 IonicContact NH2-OE1 3.94Å; R103-E107 PolarHBondContact NH2-OE1 2.86Å; R103-E107 WeakPolarHBondContact O-CG 3.39Å; R103-E107 PolarHBondContact O-N 2.88Å; K104-E107 IonicContact NZ-OE2 2.71Å; K104-E107 PolarHBondContact NZ-OE2 3.07Å; K104-E107 CarbonylContact O-C 3.54Å; K104-E107 WeakPolarHBondContact O-CA 3.17Å; K104-E107 WeakPolarHBondContact O-CB 3.4Å; K104-E107 PolarHBondContact O-N 2.82Å; K104-E107 VanDerWaalsContact O-N 3.11Å; E105-E107 VanDerWaalsContact C-N 3.34Å; E105-E107 PolarHBondContact O-N 3.34Å; E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 3.38Å
108F97Very high96.7Very high125 Ų125106.4 Ų106.455%0.54849%0.487SS..Hα-helixtrans-75.1-46.9171.9-77.5-68.7000112.5K104 E105 Q106 R110 K111 I112K104-F108 WeakPolarHBondContact O-CD2 3.48Å; K104-F108 PolarHBondContact O-N 2.89Å; E105-F108 PolarHBondContact O-N 3.3Å; E105-F108 VanDerWaalsContact O-N 3.1Å; Q106-F108 VanDerWaalsContact C-N 3.3Å; F108-R110 VanDerWaalsContact C-N 3.29Å; F108-R110 PolarHBondContact O-N 2.59Å; F108-K111 WeakPolarHBondContact O-CA 3.46Å; F108-K111 WeakPolarHBondContact O-CB 3.49Å; F108-K111 PolarHBondContact O-N 3.29Å; F108-I112 WeakPolarHBondContact O-CG1 3.39Å; F108-I112 PolarHBondContact O-N 3.31Å
109Q97Very high96.8Very high100 Ų100102.3 Ų102.347%0.46748%0.483SS..Hα-helixtrans-55.8-42.6177.1-70.91722.600111.7E105 K111 I112 K113E105-Q109 WeakPolarHBondContact O-CG 3.37Å; E105-Q109 PolarHBondContact O-N 3.25Å; E105-Q109 PolarHBondContact OE1-NE2 2.9Å; Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 2.84Å; Q109-I112 PolarHBondContact O-N 2.84Å; Q109-K113 PolarHBondContact O-N 2.98Å
110R97.3Very high96.9Very high137 Ų137100.4 Ų100.452%0.51748%0.48SS..Hα-helixtrans-64.8-33.1175.2-70.3-179.3-130.7114.6-3.6113.2Q106 F108 L114Q106-R110 VanDerWaalsContact CB-NH2 3.27Å; Q106-R110 WeakPolarHBondContact O-CB 3.47Å; Q106-R110 VanDerWaalsContact O-CG 3.26Å; Q106-R110 WeakPolarHBondContact O-CG 3.33Å; Q106-R110 PolarHBondContact O-N 2.88Å; F108-R110 VanDerWaalsContact C-N 3.29Å; F108-R110 PolarHBondContact O-N 2.59Å; R110-L114 WeakPolarHBondContact O-CB 3.36Å; R110-L114 PolarHBondContact O-N 3.43Å; R110-L114 VanDerWaalsContact O-N 3.13Å
111K97Very high97Very high133 Ų133101.6 Ų101.658%0.57848%0.48SS*.Hα-helixtrans-73.6-43.6175.5-75.8173.6179-178.10112.3E107 F108 Q109 L114 Q115E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 3.38Å; F108-K111 WeakPolarHBondContact O-CA 3.46Å; F108-K111 WeakPolarHBondContact O-CB 3.49Å; F108-K111 PolarHBondContact O-N 3.29Å; Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 2.84Å; K111-L114 PolarHBondContact O-N 3.22Å; K111-Q115 WeakPolarHBondContact O-CB 3.14Å; K111-Q115 PolarHBondContact O-N 2.9Å
112I97.4Very high97Very high91 Ų91103.3 Ų103.347%0.46748%0.482SS..Hα-helixtrans-57.4-52.8175.8-68.7165.5000108.8F108 Q109 L114 Q115 E116F108-I112 WeakPolarHBondContact O-CG1 3.39Å; F108-I112 PolarHBondContact O-N 3.31Å; Q109-I112 PolarHBondContact O-N 2.84Å; I112-L114 PolarHBondContact O-N 2.69Å; I112-Q115 CarbonylContact O-C 3.55Å; I112-Q115 WeakPolarHBondContact O-CA 3.39Å; I112-Q115 WeakPolarHBondContact O-CB 3.35Å; I112-Q115 PolarHBondContact O-N 2.83Å; I112-E116 HydrophobicContact CG2-CG 4.38Å; I112-E116 WeakPolarHBondContact O-CG 3.49Å; I112-E116 PolarHBondContact O-N 3.26Å
113K97.8Very high97Very high119 Ų119105.1 Ų105.152%0.51749%0.494SS..Hα-helixtrans-58.7-43.3177.7-179.7166.4-179.2170.90113.2Q109 Q115 E116 D117Q109-K113 PolarHBondContact O-N 2.98Å; K113-Q115 PolarHBondContact O-N 3.41Å; K113-E116 WeakPolarHBondContact CA-OE2 3.46Å; K113-E116 WeakPolarHBondContact O-CB 3.32Å; K113-E116 PolarHBondContact O-N 2.88Å; K113-D117 WeakPolarHBondContact CE-OD1 3.37Å; K113-D117 WeakPolarHBondContact O-CB 3.4Å; K113-D117 VanDerWaalsContact O-CG 3.23Å; K113-D117 PolarHBondContact O-N 3.02Å
114L97.8Very high97Very high104 Ų104102.2 Ų102.255%0.54549%0.487SS..Hα-helixtrans-61.2-35.2176.2179.562.6000112.1R110 K111 I112 L118R110-L114 WeakPolarHBondContact O-CB 3.36Å; R110-L114 PolarHBondContact O-N 3.43Å; R110-L114 VanDerWaalsContact O-N 3.13Å; K111-L114 PolarHBondContact O-N 3.22Å; I112-L114 PolarHBondContact O-N 2.69Å; L114-L118 HydrophobicContact CD1-CD1 4.47Å; L114-L118 HydrophobicContact CG-CD1 4.26Å; L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 WeakPolarHBondContact O-CD1 3.3Å; L114-L118 WeakPolarHBondContact O-CG 3.27Å; L114-L118 PolarHBondContact O-N 3.04Å
115Q97.1Very high96.9Very high146 Ų146102.4 Ų102.468%0.68249%0.49SS*.Hα-helixtrans-73-35.3175.9-174.3174.1-14.200112.2K111 I112 K113 A119K111-Q115 WeakPolarHBondContact O-CB 3.14Å; K111-Q115 PolarHBondContact O-N 2.9Å; I112-Q115 CarbonylContact O-C 3.55Å; I112-Q115 WeakPolarHBondContact O-CA 3.39Å; I112-Q115 WeakPolarHBondContact O-CB 3.35Å; I112-Q115 PolarHBondContact O-N 2.83Å; K113-Q115 PolarHBondContact O-N 3.41Å; Q115-A119 VanDerWaalsContact O-CB 3.3Å; Q115-A119 WeakPolarHBondContact O-CB 3.47Å; Q115-A119 PolarHBondContact O-N 2.83Å
116E97.1Very high96.8Very high118 Ų118101.6 Ų101.655%0.55149%0.488SS*.Hα-helixtrans-65-49.9171.6-67.9168158.500111.2I112 K113 L118 A119 E120I112-E116 HydrophobicContact CG2-CG 4.38Å; I112-E116 WeakPolarHBondContact O-CG 3.49Å; I112-E116 PolarHBondContact O-N 3.26Å; K113-E116 WeakPolarHBondContact CA-OE2 3.46Å; K113-E116 WeakPolarHBondContact O-CB 3.32Å; K113-E116 PolarHBondContact O-N 2.88Å; E116-L118 VanDerWaalsContact C-N 3.28Å; E116-L118 PolarHBondContact O-N 3.44Å; E116-A119 PolarHBondContact O-N 3.4Å; E116-A119 VanDerWaalsContact O-N 3.15Å; E116-E120 PolarHBondContact O-N 2.95Å
117D97.2Very high96.7Very high82 Ų82102.4 Ų102.444%0.43950%0.498SS..Hα-helixtrans-57.1-41176.5-67.9-26.5000110.9K113 Q121K113-D117 WeakPolarHBondContact CE-OD1 3.37Å; K113-D117 WeakPolarHBondContact O-CB 3.4Å; K113-D117 VanDerWaalsContact O-CG 3.23Å; K113-D117 PolarHBondContact O-N 3.02Å; D117-Q121 WeakPolarHBondContact O-CB 3.31Å; D117-Q121 PolarHBondContact O-N 3.1Å
118L96.9Very high96.6Very high94 Ų94105 Ų10549%0.49251%0.512SS..Hα-helixtrans-68.9-41.4175.4-77.1169.2000113L114 E116 Q121 E122L114-L118 HydrophobicContact CD1-CD1 4.47Å; L114-L118 HydrophobicContact CG-CD1 4.26Å; L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 WeakPolarHBondContact O-CD1 3.3Å; L114-L118 WeakPolarHBondContact O-CG 3.27Å; L114-L118 PolarHBondContact O-N 3.04Å; E116-L118 VanDerWaalsContact C-N 3.28Å; E116-L118 PolarHBondContact O-N 3.44Å; L118-Q121 PolarHBondContact O-N 3.11Å; L118-E122 PolarHBondContact O-N 3.45Å
119A96.8Very high96.4Very high56 Ų56102.2 Ų102.246%0.46350%0.503SS..Hα-helixtrans-67.9-36.2177.700000111.8Q115 E116 E122 N123Q115-A119 VanDerWaalsContact O-CB 3.3Å; Q115-A119 WeakPolarHBondContact O-CB 3.47Å; Q115-A119 PolarHBondContact O-N 2.83Å; E116-A119 PolarHBondContact O-N 3.4Å; E116-A119 VanDerWaalsContact O-N 3.15Å; A119-E122 PolarHBondContact O-N 3.4Å; A119-N123 WeakPolarHBondContact O-CB 3.5Å; A119-N123 PolarHBondContact O-N 2.98Å
120E97.4Very high96.2Very high114 Ų114101 Ų10153%0.53350%0.497SS..Hα-helixtrans-65.3-44.1171.2-155.8-161.4139.800110.6E116 E122 N123 Q124E116-E120 PolarHBondContact O-N 2.95Å; E120-E122 VanDerWaalsContact C-N 3.34Å; E120-E122 PolarHBondContact O-N 3.11Å; E120-N123 PolarHBondContact O-N 3.43Å; E120-Q124 WeakPolarHBondContact O-CB 3.49Å; E120-Q124 VanDerWaalsContact O-CG 3.28Å; E120-Q124 WeakPolarHBondContact O-CG 3.47Å; E120-Q124 PolarHBondContact O-N 2.81Å; E120-Q124 PolarHBondContact OE1-NE2 2.99Å
121Q96.7Very high96Very high101 Ų10198 Ų9847%0.47250%0.497SS..Hα-helixtrans-60.8-40.5176.2-163.7-171.720.700112.3D117 L118 Q125D117-Q121 WeakPolarHBondContact O-CB 3.31Å; D117-Q121 PolarHBondContact O-N 3.1Å; L118-Q121 PolarHBondContact O-N 3.11Å; Q121-Q125 WeakPolarHBondContact O-CG 3.43Å; Q121-Q125 PolarHBondContact O-N 3.47Å
122E96.4Very high95.9Very high123 Ų12398.2 Ų98.258%0.57549%0.494SS*.Hα-helixtrans-64.9-43.8174.6-161.9-163.5144.900111.1L118 A119 E120 Q124 Q125 N126L118-E122 PolarHBondContact O-N 3.45Å; A119-E122 PolarHBondContact O-N 3.4Å; E120-E122 VanDerWaalsContact C-N 3.34Å; E120-E122 PolarHBondContact O-N 3.11Å; E122-Q124 PolarHBondContact O-N 3.43Å; E122-Q125 PolarHBondContact O-N 3.22Å; E122-N126 WeakPolarHBondContact O-CB 3.42Å; E122-N126 PolarHBondContact O-N 3.44Å; E122-N126 PolarHBondContact O-ND2 3.41Å; E122-N126 PolarHBondContact OE1-ND2 2.84Å
123N96.6Very high95.7Very high102 Ų10297.3 Ų97.355%0.54550%0.496SS..Hα-helixtrans-64-40177.6-171.826.4000112.4A119 E120 N126 T127A119-N123 WeakPolarHBondContact O-CB 3.5Å; A119-N123 PolarHBondContact O-N 2.98Å; E120-N123 PolarHBondContact O-N 3.43Å; N123-N126 PolarHBondContact O-N 3.24Å; N123-T127 WeakPolarHBondContact O-CB 3.44Å; N123-T127 PolarHBondContact O-N 3.29Å; N123-T127 PolarHBondContact O-OG1 2.96Å
124Q96Very high95.5Very high99 Ų9998.2 Ų98.246%0.46351%0.505SS..Hα-helixtrans-61.5-44.6171.7-70.6175.617.300111.1E120 E122 T127 I128E120-Q124 WeakPolarHBondContact O-CB 3.49Å; E120-Q124 VanDerWaalsContact O-CG 3.28Å; E120-Q124 WeakPolarHBondContact O-CG 3.47Å; E120-Q124 PolarHBondContact O-N 2.81Å; E120-Q124 PolarHBondContact OE1-NE2 2.99Å; E122-Q124 PolarHBondContact O-N 3.43Å; Q124-T127 PolarHBondContact O-N 3.45Å; Q124-I128 VanDerWaalsContact O-CG1 3.31Å; Q124-I128 WeakPolarHBondContact O-CG1 3.35Å; Q124-I128 PolarHBondContact O-N 3.03Å
125Q94.9Very high95.4Very high104 Ų10495.1 Ų95.149%0.48649%0.49SS..Hα-helixtrans-62.6-46.9175.3-75-179.353.900112.1Q121 E122 T127 I128 L129Q121-Q125 WeakPolarHBondContact O-CG 3.43Å; Q121-Q125 PolarHBondContact O-N 3.47Å; E122-Q125 PolarHBondContact O-N 3.22Å; Q125-T127 VanDerWaalsContact C-N 3.32Å; Q125-T127 PolarHBondContact O-N 3.06Å; Q125-I128 CarbonylContact O-C 3.57Å; Q125-I128 WeakPolarHBondContact O-CA 3.39Å; Q125-I128 WeakPolarHBondContact O-CB 3.26Å; Q125-I128 PolarHBondContact O-N 3.48Å; Q125-I128 VanDerWaalsContact O-N 3.11Å; Q125-L129 WeakPolarHBondContact O-CG 3.44Å; Q125-L129 PolarHBondContact O-N 2.93Å
126N94.7Very high95.3Very high71 Ų7192 Ų9238%0.3848%0.476SS..Hα-helixtrans-61.7-39.1177.2-76.4-32.2000111.7E122 N123 L129 E130E122-N126 WeakPolarHBondContact O-CB 3.42Å; E122-N126 PolarHBondContact O-N 3.44Å; E122-N126 PolarHBondContact O-ND2 3.41Å; E122-N126 PolarHBondContact OE1-ND2 2.84Å; N123-N126 PolarHBondContact O-N 3.24Å; N126-L129 PolarHBondContact O-N 3.33Å; N126-E130 PolarHBondContact O-N 2.89Å
127T95.3Very high95.2Very high85 Ų8591.5 Ų91.552%0.52147%0.473SS..Hα-helixtrans-61.3-43.5172.1-59.90000111.4N123 Q124 Q125 L129 S131N123-T127 WeakPolarHBondContact O-CB 3.44Å; N123-T127 PolarHBondContact O-N 3.29Å; N123-T127 PolarHBondContact O-OG1 2.96Å; Q124-T127 PolarHBondContact O-N 3.45Å; Q125-T127 VanDerWaalsContact C-N 3.32Å; Q125-T127 PolarHBondContact O-N 3.06Å; T127-L129 VanDerWaalsContact C-N 3.34Å; T127-L129 PolarHBondContact O-N 3.26Å; T127-S131 WeakPolarHBondContact O-CB 3.42Å; T127-S131 PolarHBondContact O-N 3.13Å
128I94.4Very high95.1Very high100 Ų10093.1 Ų93.151%0.51348%0.477SS..Hα-helixtrans-64.2-36.9173.9-68.7163.5000111.3Q124 Q125 S131Q124-I128 VanDerWaalsContact O-CG1 3.31Å; Q124-I128 WeakPolarHBondContact O-CG1 3.35Å; Q124-I128 PolarHBondContact O-N 3.03Å; Q125-I128 CarbonylContact O-C 3.57Å; Q125-I128 WeakPolarHBondContact O-CA 3.39Å; Q125-I128 WeakPolarHBondContact O-CB 3.26Å; Q125-I128 PolarHBondContact O-N 3.48Å; Q125-I128 VanDerWaalsContact O-N 3.11Å; I128-S131 PolarHBondContact O-N 3.38Å; I128-S131 PolarHBondContact O-OG 3.45Å
129L93.8Very high94.9Very high67 Ų6794.4 Ų94.435%0.35148%0.475SS..Hα-helixtrans-66.5-50.4176-68176.8000112.1Q125 N126 T127 S131 R132 V135Q125-L129 WeakPolarHBondContact O-CG 3.44Å; Q125-L129 PolarHBondContact O-N 2.93Å; N126-L129 PolarHBondContact O-N 3.33Å; T127-L129 VanDerWaalsContact C-N 3.34Å; T127-L129 PolarHBondContact O-N 3.26Å; L129-S131 PolarHBondContact O-N 2.93Å; L129-R132 VanDerWaalsContact CD2-CZ 3.44Å; L129-R132 VanDerWaalsContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CB 3.39Å; L129-R132 WeakPolarHBondContact O-CG 3.45Å; L129-R132 PolarHBondContact O-N 2.96Å; L129-R132 VanDerWaalsContact O-N 3.08Å; L129-V135 WeakPolarHBondContact O-CG2 3.5Å
130E92.2Very high94.8Very high76 Ų7697.5 Ų97.536%0.35548%0.478SS..Hα-helixtrans-67.3-18.3176.3-66.1-68.8154.100112.8N126 R132 V135 Q136 R139N126-E130 PolarHBondContact O-N 2.89Å; E130-R132 VanDerWaalsContact C-N 3.25Å; E130-R132 PolarHBondContact O-N 3.49Å; E130-V135 WeakPolarHBondContact OE2-CG1 3.26Å; E130-Q136 WeakPolarHBondContact O-CG 3.46Å; E130-Q136 PolarHBondContact O-NE2 3.45Å; E130-R139 IonicContact OE1-CZ 2.83Å; E130-R139 IonicContact OE1-NE 3.09Å; E130-R139 PolarHBondContact OE1-NE 2.88Å; E130-R139 IonicContact OE1-NH2 2.81Å; E130-R139 PolarHBondContact OE1-NH2 3.13Å; E130-R139 IonicContact OE2-CZ 3.41Å; E130-R139 IonicContact OE2-NE 3.91Å; E130-R139 PolarHBondContact OE2-NE 3.44Å; E130-R139 VanDerWaalsContact OE2-NE 3.09Å; E130-R139 IonicContact OE2-NH2 3.59Å
131S92.9Very high94.8Very high72 Ų7298.2 Ų98.250%0.50348%0.481SS..THydrogen-bonded Turntrans-70.1-19170.883.10000113.6T127 I128 L129 S133T127-S131 WeakPolarHBondContact O-CB 3.42Å; T127-S131 PolarHBondContact O-N 3.13Å; I128-S131 PolarHBondContact O-N 3.38Å; I128-S131 PolarHBondContact O-OG 3.45Å; L129-S131 PolarHBondContact O-N 2.93Å; S131-S133 PolarHBondContact O-N 2.92Å
132R94Very high94.7Very high139 Ų13996.7 Ų96.753%0.52547%0.474SS..SBendtrans-73.1129.2-175.9-62.6175.2-179.6-174.50.5110.3L129 E130 I134 V135 Q136L129-R132 VanDerWaalsContact CD2-CZ 3.44Å; L129-R132 VanDerWaalsContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CB 3.39Å; L129-R132 WeakPolarHBondContact O-CG 3.45Å; L129-R132 PolarHBondContact O-N 2.96Å; L129-R132 VanDerWaalsContact O-N 3.08Å; E130-R132 VanDerWaalsContact C-N 3.25Å; E130-R132 PolarHBondContact O-N 3.49Å; R132-I134 VanDerWaalsContact C-N 3.25Å; R132-I134 PolarHBondContact O-N 3.02Å; R132-I134 VanDerWaalsContact O-N 3.12Å; R132-V135 HydrophobicContact CB-CG2 4.22Å; R132-V135 WeakPolarHBondContact O-CA 3.23Å; R132-V135 PolarHBondContact O-N 3.3Å; R132-Q136 PolarHBondContact O-N 3.31Å; R132-Q136 VanDerWaalsContact O-N 3.09Å
133S92.9Very high94.7Very high71 Ų7193.6 Ų93.650%0.49747%0.469SS..Hα-helixtrans-49.7-44.2-177.6-151.60000113S131 V135 Q136 E137S131-S133 PolarHBondContact O-N 2.92Å; S133-V135 VanDerWaalsContact C-N 3.31Å; S133-V135 PolarHBondContact O-N 3.48Å; S133-Q136 CarbonylContact O-C 3.59Å; S133-Q136 PolarHBondContact O-N 3.18Å; S133-Q136 VanDerWaalsContact O-N 3.13Å; S133-E137 VanDerWaalsContact CB-OE1 3.27Å; S133-E137 WeakPolarHBondContact CB-OE1 3.37Å; S133-E137 WeakPolarHBondContact O-CB 3.2Å; S133-E137 VanDerWaalsContact O-CG 3.28Å; S133-E137 WeakPolarHBondContact O-CG 3.47Å; S133-E137 PolarHBondContact O-N 2.92Å; S133-E137 PolarHBondContact OG-OE1 2.93Å
134I94.9Very high94.7Very high138 Ų13894 Ų9471%0.70847%0.471SS*.Hα-helixtrans-56.9-41.1177.3-58.3172.7000112.1R132 F138R132-I134 VanDerWaalsContact C-N 3.25Å; R132-I134 PolarHBondContact O-N 3.02Å; R132-I134 VanDerWaalsContact O-N 3.12Å; I134-F138 VanDerWaalsContact O-CB 3.3Å; I134-F138 WeakPolarHBondContact O-CB 3.3Å; I134-F138 PolarHBondContact O-N 3.06Å
135V95.5Very high94.8Very high40 Ų4095.4 Ų95.424%0.24248%0.476CS..Hα-helixtrans-70.6-44.6178-178.50000109.7L129 E130 R132 S133 E137 F138 R139L129-V135 WeakPolarHBondContact O-CG2 3.5Å; E130-V135 WeakPolarHBondContact OE2-CG1 3.26Å; R132-V135 HydrophobicContact CB-CG2 4.22Å; R132-V135 WeakPolarHBondContact O-CA 3.23Å; R132-V135 PolarHBondContact O-N 3.3Å; S133-V135 VanDerWaalsContact C-N 3.31Å; S133-V135 PolarHBondContact O-N 3.48Å; V135-E137 VanDerWaalsContact C-N 3.34Å; V135-E137 PolarHBondContact O-N 3.49Å; V135-F138 PolarHBondContact O-N 3.07Å; V135-R139 HydrophobicContact CG1-CG 4.29Å; V135-R139 WeakPolarHBondContact O-CB 3.34Å; V135-R139 WeakPolarHBondContact O-CG 3.49Å; V135-R139 PolarHBondContact O-N 2.97Å
136Q94.3Very high94.9Very high81 Ų8195.8 Ų95.838%0.37948%0.476SS..Hα-helixtrans-64-36.7177.4-60.6-170.71.400113.3E130 R132 S133 K140E130-Q136 WeakPolarHBondContact O-CG 3.46Å; E130-Q136 PolarHBondContact O-NE2 3.45Å; R132-Q136 PolarHBondContact O-N 3.31Å; R132-Q136 VanDerWaalsContact O-N 3.09Å; S133-Q136 CarbonylContact O-C 3.59Å; S133-Q136 PolarHBondContact O-N 3.18Å; S133-Q136 VanDerWaalsContact O-N 3.13Å; Q136-K140 VanDerWaalsContact O-CD 3.28Å; Q136-K140 WeakPolarHBondContact O-CD 3.44Å; Q136-K140 WeakPolarHBondContact O-CG 3.39Å; Q136-K140 PolarHBondContact O-N 3.02Å
137E95.1Very high95Very high106 Ų10698 Ų9850%0.49548%0.483SS..Hα-helixtrans-65.9-47.6173.6-74.3160.6-130.100110.4S133 V135 R139 K140 E141S133-E137 VanDerWaalsContact CB-OE1 3.27Å; S133-E137 WeakPolarHBondContact CB-OE1 3.37Å; S133-E137 WeakPolarHBondContact O-CB 3.2Å; S133-E137 VanDerWaalsContact O-CG 3.28Å; S133-E137 WeakPolarHBondContact O-CG 3.47Å; S133-E137 PolarHBondContact O-N 2.92Å; S133-E137 PolarHBondContact OG-OE1 2.93Å; V135-E137 VanDerWaalsContact C-N 3.34Å; V135-E137 PolarHBondContact O-N 3.49Å; E137-R139 VanDerWaalsContact C-N 3.34Å; E137-R139 PolarHBondContact O-N 2.98Å; E137-K140 WeakPolarHBondContact O-CB 3.35Å; E137-K140 PolarHBondContact O-N 3.1Å; E137-K140 VanDerWaalsContact O-N 3.14Å; E137-E141 WeakPolarHBondContact O-CB 3.45Å; E137-E141 PolarHBondContact O-N 3.39Å
138F95.6Very high95.1Very high117 Ų11796.3 Ų96.351%0.51348%0.479SS..Hα-helixtrans-61.8-37.8174.3179.4-105.7000113I134 V135 E141 Q142I134-F138 VanDerWaalsContact O-CB 3.3Å; I134-F138 WeakPolarHBondContact O-CB 3.3Å; I134-F138 PolarHBondContact O-N 3.06Å; V135-F138 PolarHBondContact O-N 3.07Å; F138-E141 PolarHBondContact O-N 3.48Å; F138-Q142 VanDerWaalsContact O-CB 3.28Å; F138-Q142 WeakPolarHBondContact O-CB 3.41Å; F138-Q142 PolarHBondContact O-N 3.3Å
139R92.6Very high95.2Very high121 Ų12195.6 Ų95.646%0.45748%0.476SS..Hα-helixtrans-63.4-40.9173.4-69.1-72.8-173.5-161.61.2111.3E130 V135 E137 A143E130-R139 IonicContact OE1-CZ 2.83Å; E130-R139 IonicContact OE1-NE 3.09Å; E130-R139 PolarHBondContact OE1-NE 2.88Å; E130-R139 IonicContact OE1-NH2 2.81Å; E130-R139 PolarHBondContact OE1-NH2 3.13Å; E130-R139 IonicContact OE2-CZ 3.41Å; E130-R139 IonicContact OE2-NE 3.91Å; E130-R139 PolarHBondContact OE2-NE 3.44Å; E130-R139 VanDerWaalsContact OE2-NE 3.09Å; E130-R139 IonicContact OE2-NH2 3.59Å; V135-R139 HydrophobicContact CG1-CG 4.29Å; V135-R139 WeakPolarHBondContact O-CB 3.34Å; V135-R139 WeakPolarHBondContact O-CG 3.49Å; V135-R139 PolarHBondContact O-N 2.97Å; E137-R139 VanDerWaalsContact C-N 3.34Å; E137-R139 PolarHBondContact O-N 2.98Å; R139-A143 PolarHBondContact O-N 2.89Å
140K95.3Very high95.4Very high120 Ų12099.6 Ų99.652%0.52249%0.49SS..Hα-helixtrans-67.7-44.2174.9-69.6158.7-167163.10111.8Q136 E137 Q142 A143 L144Q136-K140 VanDerWaalsContact O-CD 3.28Å; Q136-K140 WeakPolarHBondContact O-CD 3.44Å; Q136-K140 WeakPolarHBondContact O-CG 3.39Å; Q136-K140 PolarHBondContact O-N 3.02Å; E137-K140 WeakPolarHBondContact O-CB 3.35Å; E137-K140 PolarHBondContact O-N 3.1Å; E137-K140 VanDerWaalsContact O-N 3.14Å; K140-Q142 PolarHBondContact O-N 3Å; K140-A143 WeakPolarHBondContact O-CB 3.5Å; K140-A143 PolarHBondContact O-N 3.1Å; K140-A143 VanDerWaalsContact O-N 3.15Å; K140-L144 WeakPolarHBondContact O-CG 3.48Å; K140-L144 PolarHBondContact O-N 2.87Å
141E95.9Very high95.6Very high130 Ų130102.4 Ų102.461%0.60750%0.503SS*.Hα-helixtrans-62.3-41.7175.7-173.4178.4-164.600111.3E137 F138 A143 L144 K145E137-E141 WeakPolarHBondContact O-CB 3.45Å; E137-E141 PolarHBondContact O-N 3.39Å; F138-E141 PolarHBondContact O-N 3.48Å; E141-A143 VanDerWaalsContact C-N 3.3Å; E141-A143 PolarHBondContact O-N 3.45Å; E141-L144 PolarHBondContact O-N 3.3Å; E141-K145 WeakPolarHBondContact O-CB 3.47Å; E141-K145 PolarHBondContact O-N 3.37Å
142Q96.4Very high95.9Very high69 Ų69103.8 Ų103.832%0.32251%0.505SS..Hα-helixtrans-63.9-34.5173.7-170.7-174.593.800112.3F138 K140 K146F138-Q142 VanDerWaalsContact O-CB 3.28Å; F138-Q142 WeakPolarHBondContact O-CB 3.41Å; F138-Q142 PolarHBondContact O-N 3.3Å; K140-Q142 PolarHBondContact O-N 3Å; Q142-K146 HydrophobicContact CG-CD 4.44Å; Q142-K146 WeakPolarHBondContact O-CB 3.35Å; Q142-K146 WeakPolarHBondContact O-CD 3.24Å; Q142-K146 VanDerWaalsContact O-CG 3.27Å; Q142-K146 WeakPolarHBondContact O-CG 3.38Å; Q142-K146 PolarHBondContact O-N 2.85Å
143A96.1Very high96Very high57 Ų5799.6 Ų99.647%0.47150%0.5SS..Hα-helixtrans-69.1-47.9174.200000111.7R139 K140 E141 K145 K146 E147R139-A143 PolarHBondContact O-N 2.89Å; K140-A143 WeakPolarHBondContact O-CB 3.5Å; K140-A143 PolarHBondContact O-N 3.1Å; K140-A143 VanDerWaalsContact O-N 3.15Å; E141-A143 VanDerWaalsContact C-N 3.3Å; E141-A143 PolarHBondContact O-N 3.45Å; A143-K145 VanDerWaalsContact C-N 3.31Å; A143-K145 PolarHBondContact O-N 3.44Å; A143-K146 CarbonylContact O-C 3.6Å; A143-K146 WeakPolarHBondContact O-CB 3.27Å; A143-K146 PolarHBondContact O-N 3.16Å; A143-K146 VanDerWaalsContact O-N 3.12Å; A143-E147 PolarHBondContact O-N 3.38Å
144L96.8Very high96.3Very high111 Ų11199.1 Ų99.158%0.58150%0.496SS*.Hα-helixtrans-60.5-39175.4-70.8170000111.9K140 E141 E147 A148K140-L144 WeakPolarHBondContact O-CG 3.48Å; K140-L144 PolarHBondContact O-N 2.87Å; E141-L144 PolarHBondContact O-N 3.3Å; L144-E147 WeakPolarHBondContact O-CB 3.43Å; L144-E147 PolarHBondContact O-N 3.37Å; L144-A148 PolarHBondContact O-N 2.89Å
145K97.4Very high96.4Very high129 Ų12996.7 Ų96.756%0.56149%0.488SS*.Hα-helixtrans-61.4-48.1171.9178.5173.4176.5178.60111.3E141 A143 E147 A148 D149E141-K145 WeakPolarHBondContact O-CB 3.47Å; E141-K145 PolarHBondContact O-N 3.37Å; A143-K145 VanDerWaalsContact C-N 3.31Å; A143-K145 PolarHBondContact O-N 3.44Å; K145-E147 PolarHBondContact O-N 2.87Å; K145-E147 VanDerWaalsContact O-N 3.14Å; K145-A148 PolarHBondContact O-N 3.38Å; K145-D149 WeakPolarHBondContact CE-OD1 3.2Å; K145-D149 VanDerWaalsContact CE-OD2 3.27Å; K145-D149 WeakPolarHBondContact CE-OD2 3.25Å; K145-D149 WeakPolarHBondContact CG-OD2 3.49Å; K145-D149 WeakPolarHBondContact O-CB 3.34Å; K145-D149 PolarHBondContact O-N 3.21Å
146K97.4Very high96.5Very high112 Ų11298.9 Ų98.949%0.48750%0.498SS..Hα-helixtrans-63.4-15.4176.1-75.2167.7175.8169.40113.7Q142 A143 K150Q142-K146 HydrophobicContact CG-CD 4.44Å; Q142-K146 WeakPolarHBondContact O-CB 3.35Å; Q142-K146 WeakPolarHBondContact O-CD 3.24Å; Q142-K146 VanDerWaalsContact O-CG 3.27Å; Q142-K146 WeakPolarHBondContact O-CG 3.38Å; Q142-K146 PolarHBondContact O-N 2.85Å; A143-K146 CarbonylContact O-C 3.6Å; A143-K146 WeakPolarHBondContact O-CB 3.27Å; A143-K146 PolarHBondContact O-N 3.16Å; A143-K146 VanDerWaalsContact O-N 3.12Å; K146-K150 VanDerWaalsContact O-CD 3.27Å; K146-K150 WeakPolarHBondContact O-CD 3.1Å; K146-K150 VanDerWaalsContact O-CE 3.28Å; K146-K150 WeakPolarHBondContact O-CE 3.48Å; K146-K150 VanDerWaalsContact O-CG 3.28Å; K146-K150 WeakPolarHBondContact O-CG 3.21Å
147E97Very high96.6Very high116 Ų116100.7 Ų100.754%0.54251%0.51SS..Hα-helixtrans-86.7-50.4172.2-170.5161.9-141.700110.4A143 L144 K145 D149 K150 E151A143-E147 PolarHBondContact O-N 3.38Å; L144-E147 WeakPolarHBondContact O-CB 3.43Å; L144-E147 PolarHBondContact O-N 3.37Å; K145-E147 PolarHBondContact O-N 2.87Å; K145-E147 VanDerWaalsContact O-N 3.14Å; E147-D149 VanDerWaalsContact C-N 3.34Å; E147-D149 PolarHBondContact O-N 2.95Å; E147-K150 WeakPolarHBondContact O-CA 3.41Å; E147-K150 WeakPolarHBondContact O-CB 3.43Å; E147-K150 PolarHBondContact O-N 3.45Å; E147-E151 PolarHBondContact O-N 3.15Å
148A96.6Very high96.7Very high51 Ų51101.2 Ų101.242%0.42151%0.513SS..Hα-helixtrans-59.2-39.2174.200000113.3L144 K145 K150 E151 L152L144-A148 PolarHBondContact O-N 2.89Å; K145-A148 PolarHBondContact O-N 3.38Å; A148-K150 PolarHBondContact O-N 3.33Å; A148-E151 PolarHBondContact O-N 2.92Å; A148-L152 WeakPolarHBondContact O-CB 3.44Å; A148-L152 PolarHBondContact O-N 2.97Å
149D97.1Very high96.8Very high85 Ų85100.4 Ų100.446%0.45551%0.513SS..Hα-helixtrans-61.7-28.8174.9-68.9-21.3000111.4K145 E147 A153K145-D149 WeakPolarHBondContact CE-OD1 3.2Å; K145-D149 VanDerWaalsContact CE-OD2 3.27Å; K145-D149 WeakPolarHBondContact CE-OD2 3.25Å; K145-D149 WeakPolarHBondContact CG-OD2 3.49Å; K145-D149 WeakPolarHBondContact O-CB 3.34Å; K145-D149 PolarHBondContact O-N 3.21Å; E147-D149 VanDerWaalsContact C-N 3.34Å; E147-D149 PolarHBondContact O-N 2.95Å; D149-A153 PolarHBondContact O-N 3.27Å
150K97.5Very high97.1Very high151 Ų15198.6 Ų98.666%0.65751%0.513SS*.Hα-helixtrans-82.7-39.3174.3-65.9167-173.9173.20112.6K146 E147 A148 L152 A153 S154K146-K150 VanDerWaalsContact O-CD 3.27Å; K146-K150 WeakPolarHBondContact O-CD 3.1Å; K146-K150 VanDerWaalsContact O-CE 3.28Å; K146-K150 WeakPolarHBondContact O-CE 3.48Å; K146-K150 VanDerWaalsContact O-CG 3.28Å; K146-K150 WeakPolarHBondContact O-CG 3.21Å; E147-K150 WeakPolarHBondContact O-CA 3.41Å; E147-K150 WeakPolarHBondContact O-CB 3.43Å; E147-K150 PolarHBondContact O-N 3.45Å; A148-K150 PolarHBondContact O-N 3.33Å; K150-L152 VanDerWaalsContact C-N 3.28Å; K150-A153 PolarHBondContact O-N 3.49Å; K150-S154 WeakPolarHBondContact O-CB 3.44Å; K150-S154 PolarHBondContact O-N 3.17Å
151E97.3Very high97.2Very high134 Ų13498 Ų9863%0.62651%0.512SS*.Hα-helixtrans-61.2-41.3174.2-69.4-164.2144.900110.6E147 A148 S154 V155E147-E151 PolarHBondContact O-N 3.15Å; A148-E151 PolarHBondContact O-N 2.92Å; E151-S154 WeakPolarHBondContact O-CB 3.35Å; E151-S154 PolarHBondContact O-N 2.93Å; E151-V155 WeakPolarHBondContact O-CG2 3.36Å; E151-V155 PolarHBondContact O-N 3.03Å
152L97.4Very high97.2Very high102 Ų10293.9 Ų93.953%0.53450%0.497SS..Hα-helixtrans-58.9-52174.4-178.361.6000111.6A148 K150 S154 V155 D156A148-L152 WeakPolarHBondContact O-CB 3.44Å; A148-L152 PolarHBondContact O-N 2.97Å; K150-L152 VanDerWaalsContact C-N 3.28Å; L152-S154 VanDerWaalsContact C-N 3.28Å; L152-S154 PolarHBondContact O-N 3.36Å; L152-V155 PolarHBondContact O-N 2.95Å; L152-D156 PolarHBondContact O-N 3.49Å
153A97.3Very high97.3Very high50 Ų5095 Ų9541%0.41351%0.506SS..Hα-helixtrans-58.1-39177.200000112.7D149 K150 V155 D156 D157D149-A153 PolarHBondContact O-N 3.27Å; K150-A153 PolarHBondContact O-N 3.49Å; A153-V155 VanDerWaalsContact C-N 3.34Å; A153-V155 PolarHBondContact O-N 3.18Å; A153-D156 PolarHBondContact O-N 2.87Å; A153-D157 WeakPolarHBondContact O-CB 3.5Å; A153-D157 PolarHBondContact O-N 3.3Å
154S97.9Very high97.3Very high61 Ų6199.6 Ų99.643%0.42751%0.511SS..Hα-helixtrans-65.9-33.1175.2-178.90000113.2K150 E151 L152 Q158K150-S154 WeakPolarHBondContact O-CB 3.44Å; K150-S154 PolarHBondContact O-N 3.17Å; E151-S154 WeakPolarHBondContact O-CB 3.35Å; E151-S154 PolarHBondContact O-N 2.93Å; L152-S154 VanDerWaalsContact C-N 3.28Å; L152-S154 PolarHBondContact O-N 3.36Å; S154-Q158 VanDerWaalsContact O-CG 3.28Å; S154-Q158 WeakPolarHBondContact O-CG 3.49Å; S154-Q158 PolarHBondContact O-N 3.23Å; S154-Q158 PolarHBondContact O-NE2 2.95Å; S154-Q158 PolarHBondContact OG-NE2 3.33Å
155V97.5Very high97.4Very high87 Ų8799.3 Ų99.353%0.52751%0.507SS..Hα-helixtrans-74.9-39.9174.5169.80000111.2E151 L152 A153 Q158 L159E151-V155 WeakPolarHBondContact O-CG2 3.36Å; E151-V155 PolarHBondContact O-N 3.03Å; L152-V155 PolarHBondContact O-N 2.95Å; A153-V155 VanDerWaalsContact C-N 3.34Å; A153-V155 PolarHBondContact O-N 3.18Å; V155-Q158 PolarHBondContact O-N 3.45Å; V155-L159 PolarHBondContact O-N 3.01Å
156D97.9Very high97.4Very high86 Ų86101.3 Ų101.346%0.4651%0.511SS..Hα-helixtrans-63.3-45.5175.4-71.7-23.7000111L152 A153 Q158 L159 D160L152-D156 PolarHBondContact O-N 3.49Å; A153-D156 PolarHBondContact O-N 2.87Å; D156-Q158 VanDerWaalsContact C-N 3.29Å; D156-Q158 PolarHBondContact O-N 3.43Å; D156-L159 WeakPolarHBondContact O-CB 3.5Å; D156-L159 PolarHBondContact O-N 3.06Å; D156-L159 VanDerWaalsContact O-N 3.16Å; D156-D160 WeakPolarHBondContact O-CB 3.29Å; D156-D160 PolarHBondContact O-N 2.93Å
157D97.4Very high97.4Very high119 Ų11999.5 Ų99.564%0.63651%0.509SS*.Hα-helixtrans-57.3-39.4173.5-87.4-27.7000112.5A153 Q161A153-D157 WeakPolarHBondContact O-CB 3.5Å; A153-D157 PolarHBondContact O-N 3.3Å; D157-Q161 PolarHBondContact O-N 2.62Å
158Q97.3Very high97.4Very high117 Ų11798.9 Ų98.955%0.54751%0.508SS..Hα-helixtrans-70.3-37.3176.8-77.7170.674.500112.7S154 V155 D156 Q161 S162S154-Q158 VanDerWaalsContact O-CG 3.28Å; S154-Q158 WeakPolarHBondContact O-CG 3.49Å; S154-Q158 PolarHBondContact O-N 3.23Å; S154-Q158 PolarHBondContact O-NE2 2.95Å; S154-Q158 PolarHBondContact OG-NE2 3.33Å; V155-Q158 PolarHBondContact O-N 3.45Å; D156-Q158 VanDerWaalsContact C-N 3.29Å; D156-Q158 PolarHBondContact O-N 3.43Å; Q158-Q161 PolarHBondContact O-N 2.78Å; Q158-S162 WeakPolarHBondContact O-CB 3.36Å; Q158-S162 PolarHBondContact O-N 2.75Å
159L97.7Very high97.4Very high101 Ų10199.1 Ų99.153%0.52951%0.505SS..Hα-helixtrans-65.1-44.2173.8-178.661.5000110.5V155 D156 Q161 S162 D163V155-L159 PolarHBondContact O-N 3.01Å; D156-L159 WeakPolarHBondContact O-CB 3.5Å; D156-L159 PolarHBondContact O-N 3.06Å; D156-L159 VanDerWaalsContact O-N 3.16Å; L159-Q161 VanDerWaalsContact C-N 3.35Å; L159-Q161 PolarHBondContact O-N 3.35Å; L159-S162 WeakPolarHBondContact O-CB 3.45Å; L159-S162 PolarHBondContact O-N 3.19Å; L159-S162 VanDerWaalsContact O-N 3.14Å; L159-D163 PolarHBondContact O-N 2.88Å
160D97.5Very high97.5Very high82 Ų82100.8 Ų100.844%0.43951%0.513SS..Hα-helixtrans-64.8-37.7178-140.271.4000111.6D156 R164D156-D160 WeakPolarHBondContact O-CB 3.29Å; D156-D160 PolarHBondContact O-N 2.93Å; D160-R164 WeakPolarHBondContact O-CD 3.47Å; D160-R164 WeakPolarHBondContact O-CG 3.41Å; D160-R164 PolarHBondContact O-N 3.34Å; D160-R164 VanDerWaalsContact O-N 3.11Å; D160-R164 PolarHBondContact O-NE 3.49Å; D160-R164 IonicContact OD2-CZ 3.93Å; D160-R164 IonicContact OD2-NE 2.66Å; D160-R164 PolarHBondContact OD2-NE 2.82Å; D160-R164 IonicContact OD2-NH2 3.25Å; D160-R164 PolarHBondContact OD2-NH2 2.96Å
161Q97.6Very high97.4Very high108 Ų108100.6 Ų100.651%0.50551%0.508SS..Hα-helixtrans-62.2-47.4169.1-178.7176.8-2300112D157 Q158 L159 D163 R164 E165D157-Q161 PolarHBondContact O-N 2.62Å; Q158-Q161 PolarHBondContact O-N 2.78Å; L159-Q161 VanDerWaalsContact C-N 3.35Å; L159-Q161 PolarHBondContact O-N 3.35Å; Q161-D163 VanDerWaalsContact C-N 3.34Å; Q161-D163 PolarHBondContact O-N 3.05Å; Q161-R164 WeakPolarHBondContact O-CB 3.44Å; Q161-R164 PolarHBondContact O-N 2.92Å; Q161-E165 PolarHBondContact NE2-OE1 2.97Å; Q161-E165 PolarHBondContact O-N 3.15Å
162S97.1Very high97.4Very high44 Ų4496.3 Ų96.331%0.30849%0.493SS..Hα-helixtrans-55.2-47.7177.6161.60000111.5Q158 L159 R164 E165 W166Q158-S162 WeakPolarHBondContact O-CB 3.36Å; Q158-S162 PolarHBondContact O-N 2.75Å; L159-S162 WeakPolarHBondContact O-CB 3.45Å; L159-S162 PolarHBondContact O-N 3.19Å; L159-S162 VanDerWaalsContact O-N 3.14Å; S162-R164 PolarHBondContact O-N 2.82Å; S162-E165 PolarHBondContact O-N 2.95Å; S162-E165 VanDerWaalsContact O-N 3.15Å; S162-W166 PolarHBondContact O-N 3.45Å
163D97.5Very high97.4Very high92 Ų9296.9 Ų96.949%0.49249%0.494SS..Hα-helixtrans-69.6-31.5-178.4-8617.8000112.9L159 Q161 T167L159-D163 PolarHBondContact O-N 2.88Å; Q161-D163 VanDerWaalsContact C-N 3.34Å; Q161-D163 PolarHBondContact O-N 3.05Å; D163-T167 VanDerWaalsContact O-CB 3.24Å; D163-T167 WeakPolarHBondContact O-CB 3.33Å; D163-T167 PolarHBondContact O-N 2.97Å; D163-T167 PolarHBondContact O-OG1 3.39Å
164R96.9Very high97.4Very high153 Ų15397.4 Ų97.458%0.57749%0.492SS*.Hα-helixtrans-63.4-45.3168.4-66.4160.6-165.3-168.14.6110.9D160 Q161 S162 T167 I168D160-R164 WeakPolarHBondContact O-CD 3.47Å; D160-R164 WeakPolarHBondContact O-CG 3.41Å; D160-R164 PolarHBondContact O-N 3.34Å; D160-R164 VanDerWaalsContact O-N 3.11Å; D160-R164 PolarHBondContact O-NE 3.49Å; D160-R164 IonicContact OD2-CZ 3.93Å; D160-R164 IonicContact OD2-NE 2.66Å; D160-R164 PolarHBondContact OD2-NE 2.82Å; D160-R164 IonicContact OD2-NH2 3.25Å; D160-R164 PolarHBondContact OD2-NH2 2.96Å; Q161-R164 WeakPolarHBondContact O-CB 3.44Å; Q161-R164 PolarHBondContact O-N 2.92Å; S162-R164 PolarHBondContact O-N 2.82Å; R164-T167 PolarHBondContact O-N 2.95Å; R164-I168 WeakPolarHBondContact O-CD1 3.33Å; R164-I168 VanDerWaalsContact O-CG1 3.27Å; R164-I168 WeakPolarHBondContact O-CG1 3.48Å; R164-I168 PolarHBondContact O-N 3.21Å
165E97.6Very high97.3Very high106 Ų10698 Ų9850%0.49549%0.491SS..Hα-helixtrans-65.7-41177.5-73.3-175.3-153.500112.9Q161 S162 I168 T169Q161-E165 PolarHBondContact NE2-OE1 2.97Å; Q161-E165 PolarHBondContact O-N 3.15Å; S162-E165 PolarHBondContact O-N 2.95Å; S162-E165 VanDerWaalsContact O-N 3.15Å; E165-I168 PolarHBondContact O-N 2.9Å; E165-T169 VanDerWaalsContact O-CB 3.29Å; E165-T169 WeakPolarHBondContact O-CB 3.44Å; E165-T169 PolarHBondContact O-N 3.19Å; E165-T169 PolarHBondContact O-OG1 2.93Å
166W97.4Very high97.3Very high171 Ų17199.8 Ų99.865%0.64849%0.492SS*.Hα-helixtrans-62.1-43.9171.9-79.7114.9000111.9S162 I168 T169 L170S162-W166 PolarHBondContact O-N 3.45Å; W166-I168 PolarHBondContact O-N 3.25Å; W166-T169 PolarHBondContact O-N 3.11Å; W166-L170 WeakPolarHBondContact O-CB 3.27Å; W166-L170 PolarHBondContact O-N 3.44Å
167T97.7Very high97.2Very high73 Ų73100.7 Ų100.745%0.44850%0.496SS..Hα-helixtrans-62.4-43.4178.1-64.30000111.8D163 R164 R171D163-T167 VanDerWaalsContact O-CB 3.24Å; D163-T167 WeakPolarHBondContact O-CB 3.33Å; D163-T167 PolarHBondContact O-N 2.97Å; D163-T167 PolarHBondContact O-OG1 3.39Å; R164-T167 PolarHBondContact O-N 2.95Å; T167-R171 WeakPolarHBondContact O-CB 3.28Å; T167-R171 PolarHBondContact O-N 3.27Å
168I97.3Very high97.2Very high103 Ų10398.9 Ų98.953%0.52849%0.486SS..Hα-helixtrans-62.9-43.1174.3-69.5163.4000110.6R164 E165 W166 R171 S172R164-I168 WeakPolarHBondContact O-CD1 3.33Å; R164-I168 VanDerWaalsContact O-CG1 3.27Å; R164-I168 WeakPolarHBondContact O-CG1 3.48Å; R164-I168 PolarHBondContact O-N 3.21Å; E165-I168 PolarHBondContact O-N 2.9Å; W166-I168 PolarHBondContact O-N 3.25Å; I168-R171 PolarHBondContact O-N 3.48Å; I168-S172 WeakPolarHBondContact O-CB 3.27Å; I168-S172 PolarHBondContact O-N 3.13Å
169T97.2Very high97.2Very high57 Ų57100.2 Ų100.235%0.3549%0.49SS..Hα-helixtrans-64-47.1179.5-64.50000111.7E165 W166 R171 S172 M173E165-T169 VanDerWaalsContact O-CB 3.29Å; E165-T169 WeakPolarHBondContact O-CB 3.44Å; E165-T169 PolarHBondContact O-N 3.19Å; E165-T169 PolarHBondContact O-OG1 2.93Å; W166-T169 PolarHBondContact O-N 3.11Å; T169-R171 PolarHBondContact O-N 3.46Å; T169-S172 WeakPolarHBondContact O-CB 3.5Å; T169-S172 PolarHBondContact O-N 2.9Å; T169-M173 HydrophobicContact CG2-CE 3.89Å; T169-M173 WeakPolarHBondContact O-CG 3.38Å; T169-M173 PolarHBondContact O-N 3.23Å
170L97.5Very high97.1Very high119 Ų119102.4 Ų102.462%0.62350%0.495SS*.Hα-helixtrans-62-42.1177.6-177.362.2000111.9W166 M173 T174W166-L170 WeakPolarHBondContact O-CB 3.27Å; W166-L170 PolarHBondContact O-N 3.44Å; L170-M173 PolarHBondContact O-N 3.29Å; L170-T174 WeakPolarHBondContact O-CB 3.47Å; L170-T174 PolarHBondContact O-N 3.14Å; L170-T174 PolarHBondContact O-OG1 3.41Å
171R97.4Very high97Very high148 Ų148102.9 Ų102.956%0.55850%0.497SS*.Hα-helixtrans-59.9-47.8172.1-168.1-178.4-61.2143.93.2111.1T167 I168 T169 M173 T174 D175T167-R171 WeakPolarHBondContact O-CB 3.28Å; T167-R171 PolarHBondContact O-N 3.27Å; I168-R171 PolarHBondContact O-N 3.48Å; T169-R171 PolarHBondContact O-N 3.46Å; R171-M173 VanDerWaalsContact C-N 3.35Å; R171-M173 PolarHBondContact O-N 2.92Å; R171-T174 WeakPolarHBondContact O-CB 3.49Å; R171-T174 PolarHBondContact O-N 3.46Å; R171-T174 VanDerWaalsContact O-N 3.15Å; R171-D175 PolarHBondContact O-N 3.46Å
172S97Very high97Very high44 Ų44101.4 Ų101.431%0.30850%0.495SS..Hα-helixtrans-60.2-39.5177.5-168.80000113.1I168 T169 K176I168-S172 WeakPolarHBondContact O-CB 3.27Å; I168-S172 PolarHBondContact O-N 3.13Å; T169-S172 WeakPolarHBondContact O-CB 3.5Å; T169-S172 PolarHBondContact O-N 2.9Å; S172-K176 WeakPolarHBondContact O-CB 3.38Å; S172-K176 VanDerWaalsContact O-CD 3.25Å; S172-K176 WeakPolarHBondContact O-CD 3.38Å; S172-K176 WeakPolarHBondContact O-CG 3.35Å; S172-K176 PolarHBondContact O-N 3.29Å; S172-K176 VanDerWaalsContact O-N 3.13Å; S172-K176 PolarHBondContact OG-NZ 3.33Å
173M96.4Very high96.9Very high113 Ų113102 Ų10256%0.55750%0.5SS*.Hα-helixtrans-67.7-41.1174.6-68.3-162.1-171.700111.9T169 L170 R171 K176 L177T169-M173 HydrophobicContact CG2-CE 3.89Å; T169-M173 WeakPolarHBondContact O-CG 3.38Å; T169-M173 PolarHBondContact O-N 3.23Å; L170-M173 PolarHBondContact O-N 3.29Å; R171-M173 VanDerWaalsContact C-N 3.35Å; R171-M173 PolarHBondContact O-N 2.92Å; M173-K176 PolarHBondContact O-N 2.95Å; M173-L177 PolarHBondContact O-N 3.02Å
174T97.1Very high96.8Very high62 Ų62102 Ų10238%0.3850%0.503SS..Hα-helixtrans-62.4-45.8176.6-57.40000111.2L170 R171 K176 L177 N178L170-T174 WeakPolarHBondContact O-CB 3.47Å; L170-T174 PolarHBondContact O-N 3.14Å; L170-T174 PolarHBondContact O-OG1 3.41Å; R171-T174 WeakPolarHBondContact O-CB 3.49Å; R171-T174 PolarHBondContact O-N 3.46Å; R171-T174 VanDerWaalsContact O-N 3.15Å; T174-K176 VanDerWaalsContact C-N 3.32Å; T174-K176 PolarHBondContact O-N 3.28Å; T174-L177 PolarHBondContact O-N 2.88Å; T174-L177 VanDerWaalsContact O-N 3.16Å; T174-N178 WeakPolarHBondContact O-CB 3.27Å; T174-N178 VanDerWaalsContact O-CG 3.26Å; T174-N178 PolarHBondContact O-N 2.86Å; T174-N178 PolarHBondContact O-ND2 3.15Å
175D96.9Very high96.8Very high74 Ų74100.5 Ų100.540%0.39651%0.505SS..Hα-helixtrans-61.9-37.1175-71-28.2000112.9R171 K179R171-D175 PolarHBondContact O-N 3.46Å; D175-K179 WeakPolarHBondContact O-CB 3.28Å; D175-K179 VanDerWaalsContact O-CG 3.23Å; D175-K179 WeakPolarHBondContact O-CG 3.28Å; D175-K179 PolarHBondContact O-N 3.4Å
176K97.1Very high96.6Very high124 Ų124100.8 Ų100.854%0.53951%0.507SS..Hα-helixtrans-67.3-37.3174.9-73.7161-176.4150.60111.8S172 M173 T174 K180S172-K176 WeakPolarHBondContact O-CB 3.38Å; S172-K176 VanDerWaalsContact O-CD 3.25Å; S172-K176 WeakPolarHBondContact O-CD 3.38Å; S172-K176 WeakPolarHBondContact O-CG 3.35Å; S172-K176 PolarHBondContact O-N 3.29Å; S172-K176 VanDerWaalsContact O-N 3.13Å; S172-K176 PolarHBondContact OG-NZ 3.33Å; M173-K176 PolarHBondContact O-N 2.95Å; T174-K176 VanDerWaalsContact C-N 3.32Å; T174-K176 PolarHBondContact O-N 3.28Å; K176-K180 WeakPolarHBondContact O-CG 3.39Å; K176-K180 PolarHBondContact O-N 2.88Å
177L95.4Very high96.5Very high104 Ų10497.6 Ų97.655%0.54550%0.5SS..Hα-helixtrans-68-48.3172.8-76.2169.1000111.3M173 T174 K179 K180 I181M173-L177 PolarHBondContact O-N 3.02Å; T174-L177 PolarHBondContact O-N 2.88Å; T174-L177 VanDerWaalsContact O-N 3.16Å; L177-K179 VanDerWaalsContact C-N 3.34Å; L177-K179 PolarHBondContact O-N 3.36Å; L177-K180 WeakPolarHBondContact O-CB 3.48Å; L177-K180 PolarHBondContact O-N 2.95Å; L177-K180 VanDerWaalsContact O-N 3.1Å; L177-I181 WeakPolarHBondContact O-CG1 3.28Å; L177-I181 PolarHBondContact O-N 3.19Å
178N96.9Very high96.3Very high81 Ų8195.5 Ų95.543%0.43349%0.493SS..Hα-helixtrans-57.8-44.4178.1-70.1-18.3000111.7T174 K180 I181 V182T174-N178 WeakPolarHBondContact O-CB 3.27Å; T174-N178 VanDerWaalsContact O-CG 3.26Å; T174-N178 PolarHBondContact O-N 2.86Å; T174-N178 PolarHBondContact O-ND2 3.15Å; N178-K180 PolarHBondContact O-N 3.14Å; N178-I181 PolarHBondContact O-N 3.46Å; N178-V182 WeakPolarHBondContact O-CG2 3.43Å; N178-V182 PolarHBondContact O-N 2.92Å
179K97.2Very high96.2Very high146 Ų14696.4 Ų96.464%0.63549%0.493SS*.Hα-helixtrans-60.2-44.6174.1-75168.5-177.8173.60112.2D175 L177 I181 V182 S183D175-K179 WeakPolarHBondContact O-CB 3.28Å; D175-K179 VanDerWaalsContact O-CG 3.23Å; D175-K179 WeakPolarHBondContact O-CG 3.28Å; D175-K179 PolarHBondContact O-N 3.4Å; L177-K179 VanDerWaalsContact C-N 3.34Å; L177-K179 PolarHBondContact O-N 3.36Å; K179-I181 PolarHBondContact O-N 2.92Å; K179-V182 PolarHBondContact O-N 3.16Å; K179-S183 PolarHBondContact O-N 3.38Å; K179-S183 PolarHBondContact O-OG 3.37Å
180K96.3Very high96.1Very high146 Ų14699 Ų9964%0.63550%0.504SS*.Hα-helixtrans-60.5-43.7174.7-75.6174.6178-1770112.1K176 L177 N178 S183 V184K176-K180 WeakPolarHBondContact O-CG 3.39Å; K176-K180 PolarHBondContact O-N 2.88Å; L177-K180 WeakPolarHBondContact O-CB 3.48Å; L177-K180 PolarHBondContact O-N 2.95Å; L177-K180 VanDerWaalsContact O-N 3.1Å; N178-K180 PolarHBondContact O-N 3.14Å; K180-S183 PolarHBondContact O-N 3.3Å; K180-V184 WeakPolarHBondContact O-CG2 3.47Å; K180-V184 PolarHBondContact O-N 3.49Å
181I96.4Very high95.9Very high93 Ų9398.6 Ų98.648%0.47750%0.501SS..Hα-helixtrans-60.8-47.7177.7-68.2163.4000110.1L177 N178 K179 S183 V184 L185L177-I181 WeakPolarHBondContact O-CG1 3.28Å; L177-I181 PolarHBondContact O-N 3.19Å; N178-I181 PolarHBondContact O-N 3.46Å; K179-I181 PolarHBondContact O-N 2.92Å; I181-S183 PolarHBondContact O-N 2.99Å; I181-V184 PolarHBondContact O-N 2.84Å; I181-L185 HydrophobicContact CG2-CD1 3.97Å; I181-L185 HydrophobicContact CG2-CG 4.47Å; I181-L185 WeakPolarHBondContact O-CG 3.4Å; I181-L185 PolarHBondContact O-N 3.49Å
182V96.6Very high95.6Very high76 Ų7695.9 Ų95.946%0.46150%0.498SS..Hα-helixtrans-59.8-44.3176.5171.70000111.7N178 K179 V184 L185 Q186N178-V182 WeakPolarHBondContact O-CG2 3.43Å; N178-V182 PolarHBondContact O-N 2.92Å; K179-V182 PolarHBondContact O-N 3.16Å; V182-V184 PolarHBondContact O-N 2.93Å; V182-L185 PolarHBondContact O-N 3.32Å; V182-Q186 HydrophobicContact CG1-CG 4.43Å; V182-Q186 WeakPolarHBondContact O-CB 3.47Å; V182-Q186 VanDerWaalsContact O-CG 3.32Å; V182-Q186 WeakPolarHBondContact O-CG 3.42Å; V182-Q186 PolarHBondContact O-N 2.82Å
183S95.5Very high95.4Very high58 Ų5897.7 Ų97.741%0.40650%0.501SS..Hα-helixtrans-62.9-38.7175.9-61.10000112.9K179 K180 I181 Q186 M187K179-S183 PolarHBondContact O-N 3.38Å; K179-S183 PolarHBondContact O-OG 3.37Å; K180-S183 PolarHBondContact O-N 3.3Å; I181-S183 PolarHBondContact O-N 2.99Å; S183-Q186 PolarHBondContact O-N 2.79Å; S183-M187 WeakPolarHBondContact O-CG 3.28Å; S183-M187 PolarHBondContact O-N 2.83Å
184V95.6Very high95Very high92 Ų9297.2 Ų97.256%0.55850%0.5SS*.Hα-helixtrans-66.2-41.2175.3170.20000111.4K180 I181 V182 M187 G188K180-V184 WeakPolarHBondContact O-CG2 3.47Å; K180-V184 PolarHBondContact O-N 3.49Å; I181-V184 PolarHBondContact O-N 2.84Å; V182-V184 PolarHBondContact O-N 2.93Å; V184-M187 HydrophobicContact CG2-CE 4.06Å; V184-M187 PolarHBondContact O-N 3.41Å; V184-G188 PolarHBondContact O-N 2.96Å
185L95.1Very high94.5Very high120 Ų120100.1 Ų100.163%0.62851%0.508SS*.Hα-helixtrans-64.5-39.7174.9-68.9170.3000112I181 V182 G188 K189I181-L185 HydrophobicContact CG2-CD1 3.97Å; I181-L185 HydrophobicContact CG2-CG 4.47Å; I181-L185 WeakPolarHBondContact O-CG 3.4Å; I181-L185 PolarHBondContact O-N 3.49Å; V182-L185 PolarHBondContact O-N 3.32Å; L185-G188 PolarHBondContact O-N 2.95Å; L185-K189 PolarHBondContact O-N 2.97Å
186Q95.4Very high94.1Very high113 Ų113101.2 Ų101.253%0.52851%0.511SS..Hα-helixtrans-63.5-45173.9-74.3171.9-1400112V182 S183 G188 K189 L190V182-Q186 HydrophobicContact CG1-CG 4.43Å; V182-Q186 WeakPolarHBondContact O-CB 3.47Å; V182-Q186 VanDerWaalsContact O-CG 3.32Å; V182-Q186 WeakPolarHBondContact O-CG 3.42Å; V182-Q186 PolarHBondContact O-N 2.82Å; S183-Q186 PolarHBondContact O-N 2.79Å; Q186-G188 VanDerWaalsContact C-N 3.34Å; Q186-G188 PolarHBondContact O-N 3.21Å; Q186-K189 WeakPolarHBondContact O-CB 3.3Å; Q186-K189 PolarHBondContact O-N 2.66Å; Q186-L190 WeakPolarHBondContact O-CG 3.47Å; Q186-L190 PolarHBondContact O-N 3.4Å
187M94.2Very high93.5Very high104 Ų10499.5 Ų99.551%0.51251%0.505SS..Hα-helixtrans-62.1-40.8173.7-71.5-174.6-66.200111.7S183 V184 K189 L190 I191S183-M187 WeakPolarHBondContact O-CG 3.28Å; S183-M187 PolarHBondContact O-N 2.83Å; V184-M187 HydrophobicContact CG2-CE 4.06Å; V184-M187 PolarHBondContact O-N 3.41Å; M187-K189 VanDerWaalsContact C-N 3.33Å; M187-K189 PolarHBondContact O-N 3.25Å; M187-L190 PolarHBondContact O-N 2.86Å; M187-I191 WeakPolarHBondContact O-CB 3.4Å; M187-I191 WeakPolarHBondContact O-CD1 3.45Å; M187-I191 VanDerWaalsContact O-CG1 3.26Å; M187-I191 WeakPolarHBondContact O-CG1 3.2Å; M187-I191 PolarHBondContact O-N 2.89Å
188G94.2Very high92.7Very high28 Ų2897.6 Ų97.629%0.28950%0.495SS..Hα-helixtrans-60-39.8173.800000113.2V184 L185 Q186 I191 N192V184-G188 PolarHBondContact O-N 2.96Å; L185-G188 PolarHBondContact O-N 2.95Å; Q186-G188 VanDerWaalsContact C-N 3.34Å; Q186-G188 PolarHBondContact O-N 3.21Å; G188-I191 PolarHBondContact O-N 3.11Å; G188-N192 PolarHBondContact O-N 3.42Å; G188-N192 PolarHBondContact O-ND2 3.19Å
189K95.1Very high91.9Very high123 Ų12399.4 Ų99.454%0.53550%0.5SS..Hα-helixtrans-62.4-49.5173.5-175.2173.1-179.4-73.40111.6L185 Q186 M187 I191 N192 E193L185-K189 PolarHBondContact O-N 2.97Å; Q186-K189 WeakPolarHBondContact O-CB 3.3Å; Q186-K189 PolarHBondContact O-N 2.66Å; M187-K189 VanDerWaalsContact C-N 3.33Å; M187-K189 PolarHBondContact O-N 3.25Å; K189-I191 VanDerWaalsContact C-N 3.32Å; K189-I191 PolarHBondContact O-N 3.44Å; K189-N192 PolarHBondContact O-N 2.79Å; K189-N192 VanDerWaalsContact O-N 3.13Å; K189-E193 WeakPolarHBondContact CE-OE1 3.08Å; K189-E193 IonicContact NZ-OE1 2.96Å; K189-E193 PolarHBondContact NZ-OE1 2.79Å; K189-E193 IonicContact NZ-OE2 3.14Å; K189-E193 WeakPolarHBondContact O-CG 3.5Å; K189-E193 PolarHBondContact O-N 3.48Å
190L94.7Very high91Very high111 Ų11199.2 Ų99.258%0.58150%0.5SS*.Hα-helixtrans-60.9-38.5177.8-69170.3000112.7Q186 M187 E193 L194Q186-L190 WeakPolarHBondContact O-CG 3.47Å; Q186-L190 PolarHBondContact O-N 3.4Å; M187-L190 PolarHBondContact O-N 2.86Å; L190-E193 PolarHBondContact O-N 2.83Å; L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.47Å; L190-L194 PolarHBondContact O-N 3.17Å
191I92.9Very high89.7Confident111 Ų11199.2 Ų99.257%0.56950%0.496SS*.Hα-helixtrans-64.3-40.4175.2-71.1164000111.1M187 G188 K189 K195M187-I191 WeakPolarHBondContact O-CB 3.4Å; M187-I191 WeakPolarHBondContact O-CD1 3.45Å; M187-I191 VanDerWaalsContact O-CG1 3.26Å; M187-I191 WeakPolarHBondContact O-CG1 3.2Å; M187-I191 PolarHBondContact O-N 2.89Å; G188-I191 PolarHBondContact O-N 3.11Å; K189-I191 VanDerWaalsContact C-N 3.32Å; K189-I191 PolarHBondContact O-N 3.44Å; I191-K195 VanDerWaalsContact O-CB 3.27Å; I191-K195 WeakPolarHBondContact O-CB 3.39Å; I191-K195 PolarHBondContact O-N 2.75Å
192N92.3Very high88Confident91 Ų91100.6 Ų100.649%0.48750%0.504SS..Hα-helixtrans-69.9-40.8176.5-73.4-32.4000112.2G188 K189 K195 E196G188-N192 PolarHBondContact O-N 3.42Å; G188-N192 PolarHBondContact O-ND2 3.19Å; K189-N192 PolarHBondContact O-N 2.79Å; K189-N192 VanDerWaalsContact O-N 3.13Å; N192-K195 WeakPolarHBondContact O-CB 3.31Å; N192-K195 PolarHBondContact O-N 3.07Å; N192-E196 PolarHBondContact O-N 2.88Å
193E91.3Very high85.9Confident81 Ų81103.2 Ų103.238%0.37952%0.515SS..Hα-helixtrans-62.4-44.2174.9-72.6171.5159.200111.6K189 L190 K195 E196 E197K189-E193 WeakPolarHBondContact CE-OE1 3.08Å; K189-E193 IonicContact NZ-OE1 2.96Å; K189-E193 PolarHBondContact NZ-OE1 2.79Å; K189-E193 IonicContact NZ-OE2 3.14Å; K189-E193 WeakPolarHBondContact O-CG 3.5Å; K189-E193 PolarHBondContact O-N 3.48Å; L190-E193 PolarHBondContact O-N 2.83Å; E193-K195 PolarHBondContact O-N 3.09Å; E193-E196 PolarHBondContact O-N 2.89Å; E193-E197 PolarHBondContact O-N 2.8Å
194L88.3Confident83.9Confident103 Ų103105.9 Ų105.954%0.53952%0.523SS..Hα-helixtrans-62.4-41.7173.9-179.164.6000111.9L190 E196 E197 L198L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.47Å; L190-L194 PolarHBondContact O-N 3.17Å; L194-E196 VanDerWaalsContact C-N 3.35Å; L194-E197 PolarHBondContact O-N 3.27Å; L194-L198 VanDerWaalsContact O-CB 3.31Å; L194-L198 WeakPolarHBondContact O-CB 3.34Å; L194-L198 PolarHBondContact O-N 3.23Å
195K87.4Confident81.7Confident123 Ų123110.4 Ų110.454%0.53554%0.535SS..Hα-helixtrans-62-41.9176179.6-176.6175.8-173.20111.5I191 N192 E193 L198 Q199I191-K195 VanDerWaalsContact O-CB 3.27Å; I191-K195 WeakPolarHBondContact O-CB 3.39Å; I191-K195 PolarHBondContact O-N 2.75Å; N192-K195 WeakPolarHBondContact O-CB 3.31Å; N192-K195 PolarHBondContact O-N 3.07Å; E193-K195 PolarHBondContact O-N 3.09Å; K195-L198 PolarHBondContact O-N 3.3Å; K195-Q199 WeakPolarHBondContact O-CG 3.48Å; K195-Q199 PolarHBondContact O-N 3.03Å
196E87.8Confident79.9Confident98 Ų98110.2 Ų110.246%0.45854%0.54SS..Hα-helixtrans-63.9-45.6172.8-82.3-167.7-145.400112.4N192 E193 L194 L198 Q199 K200N192-E196 PolarHBondContact O-N 2.88Å; E193-E196 PolarHBondContact O-N 2.89Å; L194-E196 VanDerWaalsContact C-N 3.35Å; E196-L198 VanDerWaalsContact C-N 3.3Å; E196-L198 PolarHBondContact O-N 3.29Å; E196-Q199 PolarHBondContact O-N 2.99Å; E196-K200 WeakPolarHBondContact O-CB 3.45Å; E196-K200 WeakPolarHBondContact O-CD 3.28Å; E196-K200 WeakPolarHBondContact O-CG 3.4Å; E196-K200 PolarHBondContact O-N 3.37Å; E196-K200 WeakPolarHBondContact OE2-CE 3.43Å; E196-K200 IonicContact OE2-NZ 2.64Å; E196-K200 PolarHBondContact OE2-NZ 3.14Å
197E85.1Confident77.3Confident88 Ų88108.7 Ų108.741%0.41155%0.554SS.*Hα-helixtrans-58.2-43.2175.2-77.3-146.6136.600111.9E193 L194 K200 R201E193-E197 PolarHBondContact O-N 2.8Å; L194-E197 PolarHBondContact O-N 3.27Å; E197-K200 PolarHBondContact O-N 2.96Å; E197-R201 WeakPolarHBondContact O-CB 3.18Å; E197-R201 WeakPolarHBondContact O-CG 3.45Å; E197-R201 PolarHBondContact O-N 3Å; E197-R201 IonicContact OE1-CZ 2.59Å; E197-R201 IonicContact OE1-NH2 3.93Å; E197-R201 PolarHBondContact OE1-NH2 3.12Å; E197-R201 IonicContact OE2-CZ 3.73Å; E197-R201 IonicContact OE2-NH1 2.84Å; E197-R201 PolarHBondContact OE2-NH1 3.19Å; E197-R201 IonicContact OE2-NH2 3.19Å; E197-R201 PolarHBondContact OE2-NH2 3.28Å
198L79.3Confident75Confident64 Ų64109.6 Ų109.634%0.33557%0.565SS.*Hα-helixtrans-71-33.2-175.9-151.2158.5000111.4L194 K195 E196 L203 I204L194-L198 VanDerWaalsContact O-CB 3.31Å; L194-L198 WeakPolarHBondContact O-CB 3.34Å; L194-L198 PolarHBondContact O-N 3.23Å; K195-L198 PolarHBondContact O-N 3.3Å; E196-L198 VanDerWaalsContact C-N 3.3Å; E196-L198 PolarHBondContact O-N 3.29Å; L198-L203 HydrophobicContact CD2-CB 3.79Å; L198-I204 HydrophobicContact CD2-CD1 3.78Å; L198-I204 HydrophobicContact CD2-CG1 3.6Å
199Q78.6Confident72.3Confident118 Ų118114.9 Ų114.955%0.55159%0.592SS**Hα-helixtrans-65.1-49.1166-74.1179.4-21.300111.9K195 E196 R201 N202K195-Q199 WeakPolarHBondContact O-CG 3.48Å; K195-Q199 PolarHBondContact O-N 3.03Å; E196-Q199 PolarHBondContact O-N 2.99Å; Q199-R201 VanDerWaalsContact C-N 3.27Å; Q199-R201 PolarHBondContact O-N 2.9Å; Q199-N202 PolarHBondContact O-N 2.97Å
200K77.9Confident69.9Low142 Ų142119 Ų11962%0.61761%0.61SS**Hα-helixtrans-59.8-34178.7-71161.3-170.3168.40112.5E196 E197 N202E196-K200 WeakPolarHBondContact O-CB 3.45Å; E196-K200 WeakPolarHBondContact O-CD 3.28Å; E196-K200 WeakPolarHBondContact O-CG 3.4Å; E196-K200 PolarHBondContact O-N 3.37Å; E196-K200 WeakPolarHBondContact OE2-CE 3.43Å; E196-K200 IonicContact OE2-NZ 2.64Å; E196-K200 PolarHBondContact OE2-NZ 3.14Å; E197-K200 PolarHBondContact O-N 2.96Å; K200-N202 VanDerWaalsContact C-N 3.29Å; K200-N202 PolarHBondContact O-N 2.86Å
201R70.1Confident66.9Low146 Ų146117.2 Ų117.255%0.55162%0.618SS**THydrogen-bonded Turntrans-79.20.9174.6-68.4-173.1-172.210811.2114.7E197 Q199 L203E197-R201 WeakPolarHBondContact O-CB 3.18Å; E197-R201 WeakPolarHBondContact O-CG 3.45Å; E197-R201 PolarHBondContact O-N 3Å; E197-R201 IonicContact OE1-CZ 2.59Å; E197-R201 IonicContact OE1-NH2 3.93Å; E197-R201 PolarHBondContact OE1-NH2 3.12Å; E197-R201 IonicContact OE2-CZ 3.73Å; E197-R201 IonicContact OE2-NH1 2.84Å; E197-R201 PolarHBondContact OE2-NH1 3.19Å; E197-R201 IonicContact OE2-NH2 3.19Å; E197-R201 PolarHBondContact OE2-NH2 3.28Å; Q199-R201 VanDerWaalsContact C-N 3.27Å; Q199-R201 PolarHBondContact O-N 2.9Å; R201-L203 HydrophobicContact CB-CD1 3.73Å; R201-L203 PolarHBondContact O-N 3.28Å
202N59.8Low64.1Low123 Ų123116.4 Ų116.466%0.65863%0.628SS**THydrogen-bonded Turntrans58.421.2178.2-75.8-81.8000116Q199 K200 I204Q199-N202 PolarHBondContact O-N 2.97Å; K200-N202 VanDerWaalsContact C-N 3.29Å; K200-N202 PolarHBondContact O-N 2.86Å; N202-I204 VanDerWaalsContact C-N 3.26Å; N202-I204 PolarHBondContact O-N 3.4Å
203L53Low61.6Low130 Ų130121.4 Ų121.468%0.68165%0.649SS**  trans-69.4-20.7-179.5-94.885.3000113.7L198 R201 K205L198-L203 HydrophobicContact CD2-CB 3.79Å; R201-L203 HydrophobicContact CB-CD1 3.73Å; R201-L203 PolarHBondContact O-N 3.28Å; L203-K205 PolarHBondContact O-N 3.32Å
204I54.7Low59.2Low115 Ų115123.4 Ų123.459%0.5967%0.669SS**  trans-100.278.7176.3-52.3177.5000109.8L198 N202 T206L198-I204 HydrophobicContact CD2-CD1 3.78Å; L198-I204 HydrophobicContact CD2-CG1 3.6Å; N202-I204 VanDerWaalsContact C-N 3.26Å; N202-I204 PolarHBondContact O-N 3.4Å; I204-T206 HydrophobicContact CG2-CG2 4.02Å
205K47.7Very low56.7Low186 Ų186123.8 Ų123.881%0.80968%0.68SS**  trans-86.6110152.1-85-172.4173.9179.70108.4L203 G207L203-K205 PolarHBondContact O-N 3.32Å; K205-G207 PolarHBondContact O-N 3.34Å
206T58.2Low54.5Low117 Ų117126 Ų12672%0.71870%0.697SS**  trans-68.796-177.935.30000112.2I204 V208I204-T206 HydrophobicContact CG2-CG2 4.02Å; T206-V208 PolarHBondContact O-N 3.16Å
207G39.9Very low52.1Low80 Ų80126.1 Ų126.183%0.82571%0.714SS**  trans-73.3101165.200000110.7K205K205-G207 PolarHBondContact O-N 3.34Å
208V46Very low49.6Very low124 Ų124125.9 Ų125.975%0.75274%0.736SS**  trans-90.1121.8-178.81760000111.4T206T206-V208 PolarHBondContact O-N 3.16Å
209T38.6Very low47.6Very low138 Ų138129.6 Ų129.685%0.84776%0.761SS**  trans-143140.8150.438.80000110.8
210K43.6Very low45.9Very low209 Ų209129.4 Ų129.491%0.90977%0.77SS**  trans-84.4148.1168.9-61.4175.4178.31790109.1
211G32.6Very low44Very low74 Ų74128 Ų12876%0.76378%0.778SS**  trans-178.8125.6167.400000115.1
212A33.7Very low42.4Very low95 Ų95125.5 Ų125.579%0.78579%0.789SS**  trans51116.7159.500000120.2
213E40.4Very low41.3Very low195 Ų195124.5 Ų124.591%0.91179%0.791SS**  trans-72.6142.5137.4-65.8-174.9145.100109.5
214P41.6Very low40.7Very low124 Ų124124.9 Ų124.981%0.80580%0.799SS**  trans-120.5142.5151.635.5-26000110.9
215S35.1Very low40.1Very low111 Ų111126.7 Ų126.778%0.77681%0.808SS**  trans-109.1159.2175.668.60000113
216L40.1Very low39.8Very low169 Ų169121.2 Ų121.289%0.88579%0.793SS**  trans85.2135.2157.7-95.8157.8000121.9
217A37.5Very low39.5Very low100 Ų100121 Ų12183%0.82679%0.794SS**  trans75.4112.515800000120
218G33.6Very low39.9Very low83 Ų83125.7 Ų125.786%0.85679%0.792SS**  trans151.295166.400000114.4
219V37.9Very low40.5Very low142 Ų142127 Ų12786%0.86179%0.79SS**  trans-110.9138.2178.1175.20000106.4
220P41.8Very low41.7Very low114 Ų114123.4 Ų123.474%0.7477%0.77SS**  cis-144.3164.647.942.3-23.9000119.5
221S38.5Very low42.4Very low114 Ų114116.9 Ų116.980%0.79776%0.755SS**  trans47.286.6138.5-172.30000120.1
222A36.3Very low43.7Very low93 Ų93115.9 Ų115.977%0.76974%0.737SS**  -134.9103.8125.200000107.4T224A222-T224 PolarHBondContact O-N 2.98Å
223S36.6Very low45Very low102 Ų102115 Ų11571%0.71372%0.719SS**  trans-70.1103.3-176.854.90000110.3I225S223-I225 PolarHBondContact O-N 3.26Å
224T39.8Very low46.3Very low138 Ų138111.4 Ų111.485%0.84770%0.7SS**  trans-60.3101.2164.143.60000108.6A222 S226A222-T224 PolarHBondContact O-N 2.98Å; T224-S226 VanDerWaalsContact C-N 3.35Å; T224-S226 PolarHBondContact O-N 2.99Å
225I41.5Very low47.3Very low152 Ų152110 Ų11078%0.77969%0.686SS**  trans-67.796.4175.4-58.6176000107.4S223 P227S223-I225 PolarHBondContact O-N 3.26Å; I225-P227 WeakPolarHBondContact O-CD 3.31Å
226S42.7Very low48.6Very low71 Ų71109 Ų10950%0.49767%0.672SS.*  trans-57.3122.4162.6175.30000107.6T224 F228T224-S226 VanDerWaalsContact C-N 3.35Å; T224-S226 PolarHBondContact O-N 2.99Å; S226-F228 PolarHBondContact O-N 2.84Å; S226-F228 VanDerWaalsContact O-N 3.16Å; S226-F228 PolarHBondContact OG-N 3.41Å; S226-F228 PolarHBondContact OG-O 2.81Å
227P51.1Low49.6Very low113 Ų113104.5 Ų104.573%0.73465%0.649SS**SBendtrans-70-7.3177.429.9-34.8000112.4I225I225-P227 WeakPolarHBondContact O-CD 3.31Å
228F49.6Very low50.7Low178 Ų178106.1 Ų106.178%0.78164%0.637SS**  trans-101.288.5172.6-59.4-78.2000109.6S226S226-F228 PolarHBondContact O-N 2.84Å; S226-F228 VanDerWaalsContact O-N 3.16Å; S226-F228 PolarHBondContact OG-N 3.41Å; S226-F228 PolarHBondContact OG-O 2.81Å
229Q57.3Low51.7Low153 Ų153106.4 Ų106.472%0.71562%0.618SS**  trans-69140.1156.8-73.6-175.2-34.300108.7
230S64.6Low52.4Low61 Ų61106.3 Ų106.343%0.42761%0.607SS.*  trans-66.3144173.9-179.70000110.2S232 D233 F234S230-S232 VanDerWaalsContact CB-OG 3.27Å; S230-S232 WeakPolarHBondContact CB-OG 3.35Å; S230-S232 PolarHBondContact O-N 3.13Å; S230-S232 PolarHBondContact OG-N 3.26Å; S230-S232 PolarHBondContact OG-OG 2.96Å; S230-D233 WeakPolarHBondContact CB-OD2 3.27Å; S230-D233 PolarHBondContact O-N 3.3Å; S230-F234 PolarHBondContact O-N 3.45Å
231A58Low52.9Low72 Ų72108 Ų10860%0.59560%0.602SS**Hα-helixtrans-59.1-28.7175.500000112.2D233 L235A231-D233 VanDerWaalsContact C-N 3.26Å; A231-D233 PolarHBondContact O-N 2.81Å; A231-L235 WeakPolarHBondContact O-CG 3.3Å; A231-L235 PolarHBondContact O-N 3.14Å; A231-L235 VanDerWaalsContact O-N 3.14Å
232S59.1Low53.2Low54 Ų54108.5 Ų108.538%0.37860%0.596SS.*Hα-helixtrans-56.3-40.7170530000112.5S230 N236S230-S232 VanDerWaalsContact CB-OG 3.27Å; S230-S232 WeakPolarHBondContact CB-OG 3.35Å; S230-S232 PolarHBondContact O-N 3.13Å; S230-S232 PolarHBondContact OG-N 3.26Å; S230-S232 PolarHBondContact OG-OG 2.96Å; S232-N236 VanDerWaalsContact O-CB 3.26Å; S232-N236 WeakPolarHBondContact O-CB 3.28Å; S232-N236 PolarHBondContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.41Å; S232-N236 VanDerWaalsContact O-ND2 3.1Å
233D62.3Low53.8Low76 Ų76110 Ų11041%0.40659%0.59SS.*Hα-helixtrans-84-32.6-167.3-51.4-13.6000110.1S230 A231 N237S230-D233 WeakPolarHBondContact CB-OD2 3.27Å; S230-D233 PolarHBondContact O-N 3.3Å; A231-D233 VanDerWaalsContact C-N 3.26Å; A231-D233 PolarHBondContact O-N 2.81Å; D233-N237 WeakPolarHBondContact O-CB 3.27Å; D233-N237 PolarHBondContact O-N 2.88Å; D233-N237 PolarHBondContact O-ND2 3.29Å
234F67.3Low54.1Low119 Ų119114.5 Ų114.552%0.52259%0.591SS.*Hα-helixtrans-61.4-53166.9-179.3-98.5000111.2S230 N236 N237 F238S230-F234 PolarHBondContact O-N 3.45Å; F234-N236 PolarHBondContact O-N 3.48Å; F234-N237 PolarHBondContact O-N 3.46Å; F234-F238 HydrophobicContact CZ-CD2 4.19Å; F234-F238 WeakPolarHBondContact O-CB 3.27Å; F234-F238 PolarHBondContact O-N 2.96Å
235L61.8Low54.5Low96 Ų96113 Ų11350%0.50358%0.584SS.*Hα-helixtrans-60.8-45.2-179.9-71.5170.4000112.2A231 N237 F238 I239A231-L235 WeakPolarHBondContact O-CG 3.3Å; A231-L235 PolarHBondContact O-N 3.14Å; A231-L235 VanDerWaalsContact O-N 3.14Å; L235-N237 PolarHBondContact O-N 3.43Å; L235-F238 PolarHBondContact O-N 3Å; L235-I239 WeakPolarHBondContact O-CB 3.26Å; L235-I239 WeakPolarHBondContact O-CG1 3.39Å; L235-I239 PolarHBondContact O-N 3.08Å
236N62.3Low54.2Low89 Ų89111.5 Ų111.548%0.47658%0.577SS.*Hα-helixtrans-63.9-38.9177.5-75.7-31.7000112.4S232 F234 F240S232-N236 VanDerWaalsContact O-CB 3.26Å; S232-N236 WeakPolarHBondContact O-CB 3.28Å; S232-N236 PolarHBondContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.41Å; S232-N236 VanDerWaalsContact O-ND2 3.1Å; F234-N236 PolarHBondContact O-N 3.48Å; N236-F240 WeakPolarHBondContact O-CB 3.45Å; N236-F240 WeakPolarHBondContact O-CD2 3.4Å; N236-F240 PolarHBondContact O-N 3.41Å
237N61.5Low54Low75 Ų75114.6 Ų114.640%0.40159%0.588SS.*Hα-helixtrans-68.2-40.7174.4-85.2-86.4000112.2D233 F234 L235 K241D233-N237 WeakPolarHBondContact O-CB 3.27Å; D233-N237 PolarHBondContact O-N 2.88Å; D233-N237 PolarHBondContact O-ND2 3.29Å; F234-N237 PolarHBondContact O-N 3.46Å; L235-N237 PolarHBondContact O-N 3.43Å; N237-K241 WeakPolarHBondContact O-CB 3.35Å; N237-K241 PolarHBondContact O-N 2.66Å; N237-K241 VanDerWaalsContact OD1-CE 3.26Å; N237-K241 WeakPolarHBondContact OD1-CE 3.4Å; N237-K241 PolarHBondContact OD1-NZ 2.96Å
238F61.2Low53.6Low133 Ų133115.9 Ų115.958%0.58359%0.589SS**Hα-helixtrans-72.2-38.6-174.7-157.5-89.8000112.9F234 L235 N242F234-F238 HydrophobicContact CZ-CD2 4.19Å; F234-F238 WeakPolarHBondContact O-CB 3.27Å; F234-F238 PolarHBondContact O-N 2.96Å; L235-F238 PolarHBondContact O-N 3Å; F238-N242 PolarHBondContact O-ND2 2.82Å
239I53.5Low52.9Low90 Ų90117.3 Ų117.346%0.46260%0.595SS.*Hα-helixtrans-78.3-44.4-178.4-65.4171.6000111.4L235L235-I239 WeakPolarHBondContact O-CB 3.26Å; L235-I239 WeakPolarHBondContact O-CG1 3.39Å; L235-I239 PolarHBondContact O-N 3.08Å
240F54.5Low51.8Low140 Ų140114.9 Ų114.961%0.61460%0.595SS**Hα-helixtrans-95.1-16.2-168.5-64.7-71.6000115.8N236N236-F240 WeakPolarHBondContact O-CB 3.45Å; N236-F240 WeakPolarHBondContact O-CD2 3.4Å; N236-F240 PolarHBondContact O-N 3.41Å
241K51.5Low50.3Low150 Ų150120.1 Ų120.165%0.65262%0.615SS**SBendtrans-81.5-23.4175.5-78.4178.3167.5165.80114.6N237N237-K241 WeakPolarHBondContact O-CB 3.35Å; N237-K241 PolarHBondContact O-N 2.66Å; N237-K241 VanDerWaalsContact OD1-CE 3.26Å; N237-K241 WeakPolarHBondContact OD1-CE 3.4Å; N237-K241 PolarHBondContact OD1-NZ 2.96Å
242N45.1Very low49.1Very low124 Ų124122.3 Ų122.366%0.66362%0.621SS**SBendtrans-86.4-9.1-177.9-69.2-28.8000113.3F238 R244F238-N242 PolarHBondContact O-ND2 2.82Å; N242-R244 PolarHBondContact O-N 3.37Å
243I49.5Very low47.8Very low125 Ų125125.6 Ų125.664%0.64164%0.644SS**  trans-96.275.5173.3-50.9176.7000108.6P245I243-P245 WeakPolarHBondContact O-CD 3.44Å
244R41.3Very low46.5Very low195 Ų195127.9 Ų127.974%0.73666%0.66SS**  trans-92.9111.1165.6-177.3177.2175.7176.60.1108.9N242 D246N242-R244 PolarHBondContact O-N 3.37Å; R244-D246 IonicContact CZ-OD2 3.14Å; R244-D246 IonicContact NE-OD2 3.02Å; R244-D246 PolarHBondContact NE-OD2 3.42Å; R244-D246 IonicContact NH2-OD2 2.71Å; R244-D246 PolarHBondContact NH2-OD2 3.15Å
245P49.7Very low45Very low107 Ų107129.6 Ų129.670%0.69568%0.675SS**  trans-71.3132.6162.931.3-31.8000108.6I243I243-P245 WeakPolarHBondContact O-CD 3.44Å
246D33.9Very low43.6Very low121 Ų121137 Ų13765%0.64770%0.696SS**  trans-146.5130.3161.7-123.3-43000107.5R244R244-D246 IonicContact CZ-OD2 3.14Å; R244-D246 IonicContact NE-OD2 3.02Å; R244-D246 PolarHBondContact NE-OD2 3.42Å; R244-D246 IonicContact NH2-OD2 2.71Å; R244-D246 PolarHBondContact NH2-OD2 3.15Å
247D37.9Very low42.2Very low135 Ų135140.8 Ų140.872%0.72271%0.711SS**  trans-96.7146.2-161.7-82.1-52000113.3
248N42.9Very low41.2Very low141 Ų141144 Ų14475%0.75473%0.727SS**  trans52.9107.9151.5-62.9-47.6000119.2
249K35.6Very low39.9Very low207 Ų207144.5 Ų144.590%0.974%0.741SS**  -172.5153.8110.4-102.8156.2-173.3171.70115.7
250S35.2Very low39.4Very low102 Ų102146.2 Ų146.271%0.71376%0.756SS**  trans-66.9161.6163.250.60000110.7
251M32.8Very low38.7Very low171 Ų171149.2 Ų149.284%0.84277%0.768SS**  -165.7170.355.6-138.7176.9-175.800113.8
252T32.1Very low38.3Very low119 Ų119151.9 Ų151.973%0.7378%0.78SS**  trans-36.5140.1169.247.10000117.4
253S31.9Very low37.8Very low122 Ų122153.5 Ų153.585%0.85379%0.788SS**  -171.7142.112033.40000116.4
254V34.1Very low37.2Very low125 Ų125155.5 Ų155.576%0.75879%0.794SS**  trans-19.4136.6161178.30000119.4
255N37.4Very low37Very low154 Ų154152.4 Ų152.482%0.82480%0.797SS**  trans29.1122.4151.1-51.4-6.5000120.9
256R31.3Very low36.6Very low252 Ų252152.8 Ų152.895%0.95180%0.8SS**  trans-151152131.1-140.3170.2-172.5151.73.6112.5
257E33.9Very low36.8Very low168 Ų168155.3 Ų155.379%0.78581%0.812SS**  trans-82.1156.4-173.2-69.7169.2110.500114.5
258I40.7Very low36.9Very low144 Ų144160.1 Ų160.174%0.73882%0.82SS**  trans45.4110.5148-57.9160.2000117.2
259T33.5Very low36.9Very low142 Ų142158.6 Ų158.687%0.87182%0.821SS**  -154.4150.9125.8-20000111.1
260T42.2Very low37.4Very low127 Ų127156.5 Ų156.578%0.77982%0.818SS**  trans-75.1130.9-175.144.30000112.6
261K40.5Very low37.5Very low202 Ų202158.4 Ų158.488%0.87882%0.819SS**  trans-161121.8146.6-107.3140.9-169.2172.50112.7L263K261-L263 PolarHBondContact O-N 3.04Å
262K43Very low37.7Very low206 Ų206157.2 Ų157.290%0.89681%0.814SS**  trans-61.9120.2167.1175.4-177.4-177.11760109.6
263L33.7Very low37.9Very low158 Ų158160.4 Ų160.483%0.82782%0.818SS**  trans-146.5156.3159.9-142.185.8000110.6K261K261-L263 PolarHBondContact O-N 3.04Å
264E38.4Very low37.9Very low167 Ų167160.2 Ų160.278%0.7882%0.816SS**PPolyproline II helixtrans-64.3151.1-161.3-65.8123.8141.900116.3P266E264-P266 WeakPolarHBondContact O-CD 3.49Å
265T36.7Very low38Very low130 Ų130163 Ų16380%0.79882%0.818SS**PPolyproline II helixtrans-68119.316734.20000110.6L267T265-L267 PolarHBondContact O-N 3.5Å
266P40.9Very low38.4Very low115 Ų115165.1 Ų165.175%0.74782%0.823SS**PPolyproline II helixtrans-70.7117.7170.428.3-32.3000109.4E264 R268E264-P266 WeakPolarHBondContact O-CD 3.49Å; P266-R268 PolarHBondContact O-N 2.88Å
267L38.3Very low38.6Very low174 Ų174159.2 Ų159.291%0.91181%0.814SS**  trans-53.6110.7176.3-74.2165.5000110.6T265 S269T265-L267 PolarHBondContact O-N 3.5Å; L267-S269 PolarHBondContact O-N 3.03Å
268R40.7Very low38.9Very low237 Ų237160 Ų16089%0.89482%0.818SS**  trans-75.8105.7173.9-69.2-172.1177.4-160.11109.1P266 I270P266-R268 PolarHBondContact O-N 2.88Å; R268-I270 PolarHBondContact O-N 2.72Å
269S42.6Very low38.6Very low108 Ų108158.9 Ų158.976%0.75582%0.823SS**  trans-66120.7174.345.70000110.8L267 L271L267-S269 PolarHBondContact O-N 3.03Å; S269-L271 PolarHBondContact O-N 3.43Å
270I44.5Very low38.7Very low164 Ų164158.7 Ų158.784%0.84182%0.821SS**  trans-78.773.4177.9-50.2177.3000108.9R268R268-I270 PolarHBondContact O-N 2.72Å
271L38.1Very low38.5Very low141 Ų141156.9 Ų156.974%0.73882%0.819SS**  trans-136.765.9176.2-106.4168.7000109.8S269 K273S269-L271 PolarHBondContact O-N 3.43Å; L271-K273 PolarHBondContact O-N 3.39Å
272I38Very low38.2Very low146 Ų146155 Ų15575%0.74982%0.816SS**  trans-6795.6173.1-57.6177.3000108.1C274I272-C274 PolarHBondContact O-N 3.19Å; I272-C274 VanDerWaalsContact O-N 3.07Å
273K35.4Very low37.7Very low186 Ų186149.3 Ų149.381%0.80980%0.803SS**  trans-71.996.4162.7-70.8-173.7178.1-177.50107.8L271 K275L271-K273 PolarHBondContact O-N 3.39Å; K273-K275 VanDerWaalsContact C-N 3.27Å; K273-K275 PolarHBondContact O-N 3.14Å
274C31.7Very low37.9Very low118 Ų118148.7 Ų148.780%0.79780%0.801SS**  trans-60.691.3166.7-64.40000109.1I272I272-C274 PolarHBondContact O-N 3.19Å; I272-C274 VanDerWaalsContact O-N 3.07Å
275K35.9Very low37.8Very low184 Ų184146.1 Ų146.180%0.880%0.801SS**  trans-74.8129.8158.2-81.6-169.4170.1-170.50107.5K273 V277K273-K275 VanDerWaalsContact C-N 3.27Å; K273-K275 PolarHBondContact O-N 3.14Å; K275-V277 PolarHBondContact O-N 3.27Å
276E45.5Very low38Very low199 Ų199146.3 Ų146.393%0.9380%0.804SS**  trans-57.2129.5162.8-64.9165.2120.300108.6
277V37.1Very low37.8Very low127 Ų127146.8 Ų146.877%0.7781%0.805SS**  trans-133.1118.1170.91780000106.2K275 S279K275-V277 PolarHBondContact O-N 3.27Å; V277-S279 PolarHBondContact O-N 2.95Å
278E40.5Very low38Very low185 Ų185148.2 Ų148.286%0.86480%0.804SS**  trans-62.5115.3-178.8-63.8169.4107.200110.3V280E278-V280 PolarHBondContact O-N 2.91Å
279S33.3Very low38.1Very low120 Ų120144.4 Ų144.484%0.83980%0.797SS**  trans-79.980.6178.742.50000111.3V277 A281V277-S279 PolarHBondContact O-N 2.95Å; S279-A281 PolarHBondContact O-N 3.02Å
280V35.3Very low38.2Very low139 Ų139144.3 Ų144.384%0.84279%0.791SS**  trans-58.1127.5172.11780000110.1E278E278-V280 PolarHBondContact O-N 2.91Å
281A38.5Very low38.1Very low88 Ų88147.1 Ų147.173%0.72779%0.791SS**  trans-65.9143.3-160.400000116.4S279S279-A281 PolarHBondContact O-N 3.02Å
282I33.6Very low38.6Very low162 Ų162149 Ų14983%0.83179%0.794SS**  trans-133.6111.7148.8-58.1-177.2000109.6
283S32.7Very low38.9Very low88 Ų88147.1 Ų147.162%0.61579%0.793SS**  trans12.9142.3141.6163.90000120.2
284N37.7Very low39.4Very low145 Ų145144 Ų14478%0.77579%0.792SS**  cis-175.2133.2-9.7-97.2-36.6000108.7
285S36.1Very low40Very low112 Ų112148.9 Ų148.978%0.78380%0.796SS**  trans-180154.3152.533.80000110.9
286P41.1Very low40.4Very low134 Ų134145.7 Ų145.787%0.8779%0.793SS**  trans-85.5123.2-165.831.8-34.4000113.8
287T37.8Very low40.1Very low126 Ų126145.2 Ų145.277%0.77379%0.791SS**  trans-83.4133.3173.139.70000112.4Q289T287-Q289 PolarHBondContact O-N 2.91Å
288K42.7Very low40.4Very low204 Ų204147 Ų14789%0.88779%0.794SS**  trans-72.1113.3150.8-88.1-172.2173.3-177.50107.3V290K288-V290 PolarHBondContact O-N 3.15Å
289Q42.4Very low40.3Very low157 Ų157142.7 Ų142.773%0.73479%0.785SS**  trans-66.7114.4171.3-82.9-171.6-12.900110.2T287T287-Q289 PolarHBondContact O-N 2.91Å
290V44.6Very low40.4Very low106 Ų106145.6 Ų145.664%0.64279%0.785SS**  trans-88.3115.5155.2178.80000106.7K288 F292K288-V290 PolarHBondContact O-N 3.15Å; V290-F292 HydrophobicContact CB-CE2 4.37Å; V290-F292 HydrophobicContact CG1-CD2 4.24Å; V290-F292 HydrophobicContact CG1-CE2 3.92Å; V290-F292 HydrophobicContact CG1-CZ 4.08Å; V290-F292 PolarHBondContact O-N 3.44Å
291R42.7Very low40.6Very low223 Ų223146.6 Ų146.684%0.84278%0.784SS**  trans-82110.4167.4-71.4-175.3178.2-170.7-1107.9
292F47.6Very low40.6Very low181 Ų181151 Ų15179%0.79479%0.789SS**PPolyproline II helixtrans-74.9133.8162.5-69.9-84.3000108.9V290V290-F292 HydrophobicContact CB-CE2 4.37Å; V290-F292 HydrophobicContact CG1-CD2 4.24Å; V290-F292 HydrophobicContact CG1-CE2 3.92Å; V290-F292 HydrophobicContact CG1-CZ 4.08Å; V290-F292 PolarHBondContact O-N 3.44Å
293S43.7Very low41.2Very low105 Ų105151.6 Ų151.673%0.73479%0.789SS**PPolyproline II helixtrans-63.1146.5169.3-53.30000110
294P46.8Very low41.4Very low121 Ų121156.3 Ų156.379%0.78680%0.801SS**PPolyproline II helixtrans-61.1148.216428.7-33.8000109.8
295Y43.7Very low41.4Very low221 Ų221158.1 Ų158.187%0.86780%0.802SS**PPolyproline II helixtrans-61.9146.5176.3-77-98.1000111
296P44.9Very low41.4Very low116 Ų116163 Ų16375%0.75381%0.81SS**PPolyproline II helixtrans-66.7135.1170.529.1-33.8000110.4
297E39.1Very low41.1Very low190 Ų190164.9 Ų164.989%0.88881%0.807SS**PPolyproline II helixtrans-72.2129.5173.6-64.4-178.5136.200110.1S299E297-S299 PolarHBondContact O-N 3.04Å
298I43Very low41.2Very low163 Ų163168.7 Ų168.784%0.83681%0.813SS**  trans-82.697.4176.2-56.9174.4000108.4
299S38.3Very low40.8Very low96 Ų96164.2 Ų164.267%0.67180%0.802SS**  trans-85122.8171.953.90000111.3E297E297-S299 PolarHBondContact O-N 3.04Å
300H35.5Very low40.4Very low181 Ų181163.3 Ų163.384%0.83880%0.803SS**  trans44.4103.1160.8-64.4-78.8000118.6
301I41Very low39.8Very low159 Ų159169 Ų16982%0.81581%0.813SS**  trans-73.6122148.5-60172000106.8
302E38.7Very low39.3Very low180 Ų180165.8 Ų165.884%0.84181%0.811SS**  trans-99129.7170.3-168.9157.1-141.700108.7E304E302-E304 VanDerWaalsContact C-N 3.3Å; E302-E304 PolarHBondContact O-N 2.65Å
303E45.9Very low38.6Very low175 Ų175162.7 Ų162.782%0.81881%0.812SS**  trans-7875.4-175.7-68-173.3148.500111.4K305E303-K305 PolarHBondContact O-N 3.34Å
304E37.1Very low38.5Very low188 Ų188163.7 Ų163.788%0.87982%0.816SS**  trans-68125.6170.6-168.4161.1-133.100110.3E302E302-E304 VanDerWaalsContact C-N 3.3Å; E302-E304 PolarHBondContact O-N 2.65Å
305K36.6Very low37.8Very low183 Ų183164 Ų16480%0.79682%0.822SS**  trans-86.4140.2-169.8-66.1166.7-174.3164.30110.2E303 E307E303-K305 PolarHBondContact O-N 3.34Å; K305-E307 VanDerWaalsContact C-N 3.29Å; K305-E307 PolarHBondContact O-N 3.08Å
306F37.3Very low37.3Very low214 Ų214162.5 Ų162.594%0.93982%0.822SS**  trans-65.986168.1-82.3-91000111.1
307E33.8Very low36.5Very low174 Ų174166.1 Ų166.181%0.81383%0.829SS**  trans-81.3123.6164.3-171146.8-130.100109.1K305 T309K305-E307 VanDerWaalsContact C-N 3.29Å; K305-E307 PolarHBondContact O-N 3.08Å; E307-T309 PolarHBondContact O-N 2.77Å
308K40.6Very low36.2Very low206 Ų206161.7 Ų161.790%0.89683%0.825SS**  trans-78.9117.1175.9-72.7-178.2175.5-1760109.1
309T33.8Very low35.4Very low109 Ų109157.6 Ų157.667%0.66982%0.823SS**  trans-108.5107.1168.2-17.60000110.1E307 W311E307-T309 PolarHBondContact O-N 2.77Å; T309-W311 VanDerWaalsContact CG2-NE1 3.28Å
310D32.8Very low35.4Very low138 Ų138159.1 Ų159.174%0.73883%0.828SS**  trans-82.9132.9176.2-169.32.4000109.7
311W32.3Very low35.5Very low225 Ų225156.6 Ų156.685%0.85283%0.828SS**  trans-144.963.9-176-77.5110.7000112.8T309T309-W311 VanDerWaalsContact CG2-NE1 3.28Å
312L33.3Very low34.9Very low156 Ų156156.1 Ų156.182%0.81783%0.827SS**  trans-91.8111.5153.6-75.3171.2000110.6
313S32.9Very low34.4Very low116 Ų116151.2 Ų151.281%0.81182%0.817SS**  trans175149.1141.5-86.60000111.8
314P41.2Very low33.7Very low126 Ų126151.1 Ų151.182%0.81882%0.817SS**  trans-83.8168.7179.435.7-36.6000113.2
315S31.4Very low33.4Very low129 Ų129148.3 Ų148.390%0.90281%0.807SS**  trans-119.7127.2166.2-171.20000109.2
316E34.4Very low33.1Very low189 Ų189148.5 Ų148.588%0.88381%0.811SS**  trans-125111.5-172.9174.3-175.8-147.900109.8
317E28.7Very low32.9Very low191 Ų191146.5 Ų146.589%0.89380%0.804SS**  trans-169143.4164.6-162.9172.4-14800109.5
318A31.2Very low32.6Very low97 Ų97146 Ų14680%0.80281%0.808SS**  cis-159.8148.7-41.300000107.2
319G26.9Very low32.2Very low77 Ų77140.4 Ų140.479%0.79479%0.794SS**  trans172.973.6179.400000116.5
320V38.3Very low31.9Very low129 Ų129142.1 Ų142.178%0.78280%0.799SS**  trans-135.8133.9175.2-160.70000108.8N322V320-N322 HydrophobicContact CG1-CB 4.11Å
321P38.6Very low31.8Very low127 Ų127142.9 Ų142.983%0.82580%0.798SS**  -130.8136.410835.7-27.5000111
322N28.4Very low31.6Very low149 Ų149139.7 Ų139.780%0.79780%0.795SS**  cis89.5102.833.9-168.246.9000114.8V320V320-N322 HydrophobicContact CG1-CB 4.11Å
323A28.3Very low31.4Very low78 Ų78141 Ų14165%0.64580%0.796SS**  trans165.1136.5163.900000106.7
324E30.4Very low31.4Very low173 Ų173139.5 Ų139.581%0.80879%0.792SS**  cis-144.9148.1-7.3-87.2147.2-178.800105.3
325L30.3Very low30.8Very low129 Ų129140.1 Ų140.168%0.67579%0.793SS**  50.6141.276.1-80.9161000113.6E327L325-E327 HydrophobicContact CD2-CB 4.44Å
326E31Very low31Very low187 Ų187141.6 Ų141.687%0.87479%0.791SS**  cis-134.2152.45.7-55.9174.2126.300108.2
327E33.6Very low31Very low171 Ų171141.9 Ų141.980%0.79979%0.792SS**  cis115.259.56.5-159.7155.1-72.300115.7L325L325-E327 HydrophobicContact CD2-CB 4.44Å
328D26.5Very low31.2Very low165 Ų165140 Ų14088%0.88279%0.789SS**  trans-144162.2175.4-101.9-23.6000110.7
329S31.6Very low31Very low87 Ų87143.7 Ų143.761%0.60879%0.787SS**  cis166.8171.7-32.1-174.30000106.8
330D29.3Very low31.2Very low145 Ų145147.2 Ų147.278%0.77578%0.782SS**  trans76.4152.9163.5-55.35.3000118.3
331E29.9Very low30.8Very low155 Ų155149.5 Ų149.572%0.72479%0.785SS**  -173.4131.5-67.2169.9168-134.800108.7
332M28.6Very low30.2Very low158 Ų158150.1 Ų150.178%0.77878%0.779SS**  trans58.7175.5169.8-68.5-174.5-161.600115.8
333E28.1Very low30.2Very low182 Ų182147.2 Ų147.285%0.8577%0.771SS**  cis-135.8-178.50.1-152.3165.6-168.700110.5
334A32.3Very low30.2Very low86 Ų86152 Ų15271%0.71178%0.78SS**  trans-134.7150.1-178.500000112
335T29Very low30.1Very low139 Ų139152.4 Ų152.485%0.85378%0.782SS**  trans-166.2133.715134.60000110.8
336D36.8Very low30Very low160 Ų160154 Ų15486%0.85679%0.786SS**  trans-87.5148.2149.5-56.7-66.9000108.4
337E33.6Very low29.8Very low195 Ų195154.1 Ų154.191%0.91178%0.784SS**  trans-165.9156151-117.5166.9-153.600112.4
338D32.5Very low29.6Very low152 Ų152153.6 Ų153.681%0.81378%0.781SS**  trans-84.4161.5-175.5-60.5-73.9000114
339F28.1Very low29.8Very low174 Ų174153.6 Ų153.676%0.76378%0.778SS**  175.3122128.8-108.7-126.2000110.3
340E31.3Very low29.7Very low150 Ų150154.5 Ų154.570%0.70179%0.791SS**  81.2119.289.1-71.1-161.1177.700117
341E28.5Very low29.8Very low178 Ų178155.2 Ų155.283%0.83279%0.794SS**  trans-18.9150147-166.3175.4-130.300118.4
342I27.3Very low30Very low139 Ų139157.4 Ų157.471%0.71380%0.801SS**  161.9141.6129.4-84.9167000115.8
343S27.4Very low30Very low88 Ų88157 Ų15762%0.61580%0.801SS**  trans51.3125.6156.173.80000125.3
344E28.4Very low30.3Very low180 Ų180157 Ų15784%0.84180%0.801SS**  34.1129.6113.9-50.2173.8153.100121.1
345E28.1Very low30.2Very low180 Ų180155.8 Ų155.884%0.84180%0.798SS**  160.3154.9103.8-169149.9-130.500112.6
346E28.2Very low30.4Very low163 Ų163158.8 Ų158.876%0.76280%0.8SS**  trans32.7126.2171.1-74.4-172.2136.500122.3
347F26.7Very low30.2Very low190 Ų190160.5 Ų160.583%0.83380%0.802SS**  -153.2150.1110.9-126.4-84.7000114.3
348E30.5Very low30.2Very low160 Ų160160.2 Ų160.275%0.74880%0.801SS**  trans-55.2167.5-157.6-59.1-179.2112.300121.5
349M28.9Very low30.1Very low165 Ų165161.7 Ų161.781%0.81380%0.803SS**  trans-67.1148.5176.6-63.1164.3-82.500114.8
350A29.6Very low30.2Very low105 Ų105159.3 Ų159.387%0.86880%0.802SS**  trans-132.276.2158.500000111.4K352A350-K352 PolarHBondContact O-N 3.12Å
351L32Very low30.1Very low160 Ų160162.2 Ų162.284%0.83881%0.813SS**  trans-64.6123.1172.6-88.9163.9000111.2
352K33.7Very low30.1Very low202 Ų202159.1 Ų159.188%0.87881%0.806SS**  trans-133114.2154.1-89.9-166172.1-1740111.1A350A350-K352 PolarHBondContact O-N 3.12Å
353D29.9Very low30.2Very low148 Ų148161.8 Ų161.879%0.79182%0.815SS**  trans-80.4120.4170.5169.722.3000109.7G355D353-G355 PolarHBondContact OD1-N 3.49Å; D353-G355 VanDerWaalsContact OD1-N 3.09Å
354E34.5Very low30.5Very low182 Ų182165.9 Ų165.985%0.8582%0.822SS**  trans-133.177.3157.6-78-165.2167.400108.6
355G29.4Very low30.7Very low62 Ų62163.2 Ų163.264%0.63982%0.823SS**  trans-62.1141.7176.600000114.3D353D353-G355 PolarHBondContact OD1-N 3.49Å; D353-G355 VanDerWaalsContact OD1-N 3.09Å
356F32.3Very low30.8Very low202 Ų202162.6 Ų162.689%0.88682%0.82SS**  trans-124.5116.1164.9-99-90.7000110.3
357E34.1Very low30.9Very low195 Ų195163.8 Ų163.891%0.91183%0.826SS**  trans-75.6128.2166.6-60-179149.100109.4
358Q32.9Very low31.1Very low190 Ų190159.9 Ų159.989%0.88882%0.817SS**  trans-144151.9155.1-159.114536.500113.1
359E30.9Very low31.1Very low182 Ų182160.4 Ų160.485%0.8582%0.824SS**  trans-74.5145.4-150.7-58.8175.9119.100115.7
360V29.7Very low31.1Very low124 Ų124160.3 Ų160.375%0.75282%0.822SS**  trans-65.5131.2170174.30000111.5V362V360-V362 HydrophobicContact CG1-CG2 3.81Å
361K29.5Very low31.2Very low212 Ų212161.8 Ų161.892%0.92281%0.814SS**  trans-126.7102.3149.2-83.2-173176.9175.80110.8
362V28.6Very low31.1Very low113 Ų113162.3 Ų162.369%0.68581%0.812SS**  trans-82.7124.5164.2172.10000108.2V360 K364V360-V362 HydrophobicContact CG1-CG2 3.81Å; V362-K364 HydrophobicContact CG1-CG 3.97Å
363E29.8Very low31Very low194 Ų194161.2 Ų161.291%0.90781%0.81SS**  trans-118.4121.5160.1-163.1150.8-121.600107.5
364K32.3Very low31Very low175 Ų175160.3 Ų160.376%0.76181%0.805SS**  trans-96.5131.2-177.5-78.7-169.5171.8-163.70110.4V362V362-K364 HydrophobicContact CG1-CG 3.97Å
365S33.5Very low30.8Very low123 Ų123161 Ų16186%0.8680%0.8SS**  trans-134.3107.8153.455.80000109.3
366E29.3Very low30.9Very low167 Ų167169.2 Ų169.278%0.7881%0.814SS**  trans-100.9113.2176.3172.6-177.6178.400107.1
367E30.1Very low30.9Very low188 Ų188166.7 Ų166.788%0.87981%0.81SS**  trans-140127.2170.3-166.3154.4-13600110.3
368V30.8Very low30.8Very low108 Ų108164.6 Ų164.666%0.65580%0.8SS**  trans-112.4122.2-173.1173.10000108.8
369L30.3Very low30.9Very low172 Ų172163.8 Ų163.890%0.90179%0.793SS**  trans-135.3135.9156.8-76.1-179.6000111.1
370H30.4Very low30.8Very low163 Ų163161.4 Ų161.476%0.75580%0.797SS**  trans-98.8178.4170.4-95.9-88.9000109.7
371L30.5Very low30.7Very low136 Ų136158.5 Ų158.571%0.71279%0.792SS**  trans74.1147.3164.5-94.170.1000115.7
372E30.3Very low30.7Very low171 Ų171154.3 Ų154.380%0.79979%0.789SS**  cis-151169.5-11.3-154.4151.2-137.900111
373Q32.5Very low30.7Very low178 Ų178157.3 Ų157.383%0.83280%0.796SS**  trans-108.2117.8179.6170.9-168.13.300110
374D28.4Very low30.8Very low129 Ų129153.5 Ų153.569%0.6979%0.785SS**  trans-157.8170.8146.5-133.7-29.2000114.7
375R30.4Very low30.8Very low196 Ų196153.2 Ų153.274%0.7479%0.787SS**  trans-86.4160.5-173.2-66.6148.6-77.4-150.8-9.3113.2
376Y32Very low30.5Very low235 Ų235154.4 Ų154.492%0.92278%0.779SS**  trans-150.7131.2135.4-99.9-72000111.8
377D32.9Very low30.6Very low150 Ų150150.9 Ų150.980%0.80277%0.773SS**  trans-95.7142.4156.4-86.1-62.8000108.6
378E31.6Very low30.5Very low151 Ų151147.8 Ų147.871%0.70677%0.766SS**  172.6115.2119.7-88-147.1115.800114.3
379K34.1Very low30.5Very low172 Ų172147.9 Ų147.975%0.74877%0.772SS**  trans27.4124.6136.5-53.4170.7-164.8135.80121.1
380S29.8Very low30.4Very low133 Ų133146.2 Ų146.293%0.9376%0.764SS**  159.8146.4122.4-71.50000110.7
381G27.4Very low30.5Very low63 Ų63146.1 Ų146.165%0.64977%0.769SS**  cis159.4148.3-700000112.1
382S29.9Very low30.8Very low124 Ų124148.8 Ų148.887%0.86778%0.775SS**  trans61.4157.9177.759.60000116.1
383E28.5Very low30.8Very low176 Ų176150 Ų15082%0.82278%0.781SS**  cis-127.9142.714.2-81.8-177.4141.100110
384V32.1Very low30.8Very low113 Ų113146.9 Ų146.969%0.68578%0.778SS**  61.4125.579.6163.40000112.2
385E32.4Very low30.9Very low169 Ų169144.7 Ų144.779%0.7979%0.786SS**  cis-150.6-175.1-3.3-116.3161.7-145.200107.7
386E27.7Very low30.8Very low148 Ų148139.1 Ų139.169%0.69279%0.789SS**  cis-147.9-147.520.6-143.5-106.886.900110.5
387S31.2Very low30.9Very low93 Ų93137.8 Ų137.865%0.6579%0.791SS**  trans-118.7175.8-162.9-35.40000115.4
388V26.5Very low30.8Very low123 Ų123135.5 Ų135.575%0.74579%0.794SS**  179.9143.6110.3147.80000112.7
389S31.3Very low30.7Very low111 Ų111134.6 Ų134.678%0.77680%0.804SS**  trans69.9149.8162.968.20000120.2
390D28.8Very low30.4Very low137 Ų137129.3 Ų129.373%0.73380%0.799SS**  cis-163.6146.7-42-154.1-8.5000106.9
391D32.9Very low30.4Very low160 Ų160132.3 Ų132.386%0.85680%0.798SS**  trans-168.3139.7157.8-119.2-28.9000111.3
392K35.6Very low30.5Very low193 Ų193138.9 Ų138.984%0.83981%0.812SS**  trans-147128-178.7-77.2-158.4176.4-168.60113.8
393E30.9Very low30.5Very low197 Ų197141.7 Ų141.792%0.92181%0.811SS**  trans-142.5161.7154.9-164.8168.4-170.200111.7
394S32Very low31.6Very low112 Ų112138.1 Ų138.178%0.78380%0.803SS**  trans7277.6162.7-163.20000119
395G30.1Very low31.4Very low82 Ų82137.1 Ų137.185%0.84581%0.807SS**  38.9126.8111.800000121.7
396G29.8Very low31.2Very low79 Ų79136.6 Ų136.681%0.81481%0.81SS**  trans173.8105.4161.600000112.8
397E32.5Very low31.4Very low207 Ų207133.3 Ų133.397%0.96781%0.807SS**  trans-114.1161.9165.9-71.4-162.3151.600110.8
398A31.5Very low31.3Very low103 Ų103133 Ų13385%0.85181%0.811SS**  trans-117.5-169.3-147.100000115.7
399S30.4Very low31.7Very low131 Ų131135.9 Ų135.992%0.91681%0.813SS**  trans90.3136.9173.8-153.60000115.9
400G27.4Very low31.6Very low62 Ų62138.8 Ų138.864%0.63981%0.814SS**  cis172.2159.4-5.200000113
401E29.6Very low31.5Very low195 Ų195137.5 Ų137.591%0.91181%0.811SS**  trans49.1113.8164.1-58-174.6136.100120.3
402E28.7Very low31.4Very low202 Ų202138.1 Ų138.194%0.94481%0.807SS**  -173.7165103-98.3-169.9165.700112.3
403E29.9Very low31Very low182 Ų182136.7 Ų136.785%0.8581%0.806SS**  trans-121.6-179.3-174.1-115.1-158.7157.900110.1
404P51.3Low30.8Very low101 Ų101130.5 Ų130.566%0.65680%0.796SS**  cis-136.8-168.2-27.636.9-17.9000113.7
405A29.2Very low30.6Very low92 Ų92134.4 Ų134.476%0.7680%0.801SS**  trans77.1155.4153.300000118.5
406D28.4Very low30.6Very low159 Ų159138.2 Ų138.285%0.8580%0.802SS**  cis-150174.34.5-155.1-6.3000112.9
407A30.9Very low31.1Very low78 Ų78140.3 Ų140.365%0.64580%0.801SS**  trans7474.4147.900000121.6
408A29.2Very low31Very low88 Ų88139.4 Ų139.473%0.72779%0.794SS**  68.8139.211100000124.4
409K34.3Very low30.8Very low182 Ų182139.9 Ų139.979%0.79179%0.787SS**  trans75.4125.6151-71.7167.9-177174.60117.4
410Q30.5Very low30.6Very low172 Ų172140.3 Ų140.380%0.80478%0.779SS**  68.6136.565.6-75.2-170.25.700114.4
411V27.1Very low30.8Very low110 Ų110145.7 Ų145.767%0.66779%0.787SS**  cis-170.4157.2-15.9800000110.1
412K31Very low30.8Very low174 Ų174144.3 Ų144.376%0.75778%0.781SS**  trans71.5125.6162.4-70.5177.9-177-178.90118.6
413I27.1Very low30.9Very low163 Ų163142.2 Ų142.284%0.83678%0.775SS**  70.2121.697.9-57.8168.4000114.7
414G25.7Very low30.8Very low67 Ų67139.2 Ų139.269%0.69177%0.774SS**  trans167.9103.3163.800000115.4
415E28.8Very low30Very low193 Ų193142.3 Ų142.390%0.90279%0.785SS**  trans26.8130.2151.3-61.3175.111900122.7
416N30.4Very low30.1Very low162 Ų162147 Ų14787%0.86679%0.791SS**  trans-78.1147.9155.6-66.8-45.7000109.9
417P38.6Very low30.3Very low123 Ų123147.1 Ų147.180%0.79979%0.791SS**  -146.2175.392.738-21.3000116.5
418K30.8Very low30.4Very low189 Ų189148.7 Ų148.782%0.82280%0.797SS**  trans-36.3158.1174.8-55.8174.8179.7179.40115.4
419T26.9Very low31.2Very low112 Ų112152 Ų15269%0.68780%0.802SS**  cis-164162.241.2-23.40000113.2
420D27.4Very low31.2Very low141 Ų141152.2 Ų152.275%0.75480%0.803SS**  trans66121.8155.7-56.1-26.9000123.8
421E30.7Very low31.6Very low174 Ų174150.2 Ų150.281%0.81381%0.805SS**  trans32.4112.4145.1-50.9-168.215900122
422Q29.1Very low31.9Very low166 Ų166153.7 Ų153.778%0.77681%0.814SS**  176.5143.895.2-92-171.31.700114.2
423L32.3Very low32.2Very low159 Ų159153 Ų15383%0.83282%0.817SS**  trans38.9104.2150.3-75.1157.5000120.4
424S28.4Very low32.7Very low118 Ų118152.2 Ų152.283%0.82581%0.813SS**  trans-143.4149.4144.359.30000111.1
425N34.2Very low33.1Very low166 Ų166159.7 Ų159.789%0.88882%0.82SS**  trans-80.8134.2171.7-64.4-45.7000109.5
426E30.1Very low33.3Very low190 Ų190156.5 Ų156.589%0.88881%0.814SS**  trans-145.2147.9154.4-162.1150.3-13700109.9
427I33.7Very low33.4Very low163 Ų163156.1 Ų156.184%0.83681%0.812SS**  trans-89.3121.9-169-63.1168.3000108.8
428S32.3Very low33.2Very low111 Ų111156.5 Ų156.578%0.77681%0.812SS**  trans-103.7117178.2-167.40000110.9K430S428-K430 PolarHBondContact O-N 3.31Å
429D46Very low33.2Very low157 Ų157155.8 Ų155.884%0.8482%0.816SS**  trans-70.597.3173.7-89.5-44.1000111.5
430K34.6Very low33.4Very low186 Ų186155.5 Ų155.581%0.80982%0.819SS**  trans-164128.2152.5-110.3155.6-173.1173.70111.2S428 Q432S428-K430 PolarHBondContact O-N 3.31Å; K430-Q432 PolarHBondContact O-N 3.22Å
431P38.8Very low33.6Very low130 Ų130154.8 Ų154.884%0.84482%0.822SS**PPolyproline II helixtrans-68129.6175.727.8-33.5000110.8
432Q32.8Very low33.5Very low184 Ų184156.5 Ų156.586%0.8683%0.827SS**PPolyproline II helixtrans-89.7119.6-178.4-167.1173.339.900110.5K430 I434K430-Q432 PolarHBondContact O-N 3.22Å; Q432-I434 PolarHBondContact O-N 3.04Å
433I37.3Very low33.6Very low160 Ų160157.8 Ų157.882%0.82183%0.83SS**PPolyproline II helixtrans-71.6124.7179.4-60174.6000109.7
434I37.9Very low33.5Very low145 Ų145157.8 Ų157.874%0.74483%0.831SS**  trans-97.4109.3177.7-59.8177.8000109.5Q432Q432-I434 PolarHBondContact O-N 3.04Å
435R34Very low33.6Very low224 Ų224160.3 Ų160.385%0.84583%0.833SS**  trans42.3115.8159.2-61.2-174.5-179.8-170-0.7118.4
436V32.2Very low33.3Very low127 Ų127158 Ų15877%0.7783%0.83SS**PPolyproline II helixtrans-93.7126.5156.4179.70000108.1
437D33.5Very low33.2Very low154 Ų154154 Ų15482%0.82482%0.823SS**PPolyproline II helixtrans-77.5128.7168.5-76.9-35.7000109.7
438T33.6Very low33Very low131 Ų131158.7 Ų158.780%0.80483%0.831SS**PPolyproline II helixtrans-90.2120.2-176.144.80000111.8
439L31.7Very low33Very low174 Ų174158.2 Ų158.291%0.91183%0.834SS**PPolyproline II helixtrans-90.9137.8164.8-66.3178.3000110.1
440S31.2Very low32.3Very low106 Ų106156.3 Ų156.374%0.74183%0.833SS**PPolyproline II helixtrans-74.1152-176.9-55.90000112.7
441P30.9Very low32.1Very low126 Ų126154.9 Ų154.982%0.81883%0.834SS**PPolyproline II helixtrans-71.5131.3-17528.8-35.3000112.4
442F28.2Very low31.8Very low209 Ų209156.3 Ų156.392%0.91784%0.835SS**PPolyproline II helixtrans-86.9147.2163.3-94.3-92.1000110.8
443K31.7Very low31.9Very low193 Ų193154.5 Ų154.584%0.83983%0.829SS**PPolyproline II helixtrans-82146.4-175.7-66.7-177.2175.7-174.70112.5
444N30Very low31.8Very low159 Ų159152.4 Ų152.485%0.8583%0.826SS**  trans2.1116.1158.6-55.53.4000117.8
445I29.9Very low31.5Very low171 Ų171150.5 Ų150.588%0.87783%0.825SS**  trans-129.1134.9138.4-60.7-179.7000106.5
446S28.1Very low31.7Very low117 Ų117146.5 Ų146.582%0.81883%0.826SS**  trans-102.8130.7-179.3178.70000111.3
447S28.9Very low31.8Very low107 Ų107145.3 Ų145.375%0.74882%0.823SS**  trans-168.6138.6154.656.60000110.4
448W30.1Very low32.1Very low261 Ų261148.1 Ų148.199%0.98983%0.828SS**  trans-66.1130.4179.3-57-63.8000113.7
449A30.8Very low32Very low102 Ų102145.2 Ų145.284%0.84382%0.824SS**  trans-163.3148.5145.400000110.6
450S31.6Very low32.3Very low117 Ų117143.3 Ų143.382%0.81882%0.82SS**  trans-74.3168.2-168.5-47.40000116.1
451D31.1Very low32.4Very low155 Ų155145.7 Ų145.783%0.82982%0.824SS**  trans-47.1132.1-179.7-54-75.3000115.8
452D32.3Very low32.5Very low161 Ų161146.5 Ų146.586%0.86182%0.821SS**  trans-106.8100.6174.3-137.9-14.8000109.8
453I35.4Very low32.9Very low146 Ų146147 Ų14775%0.74982%0.817SS**  trans-108.1120.9170.6-59.6179000108S455I453-S455 PolarHBondContact O-N 3.1Å
454P33.8Very low33.1Very low115 Ų115146.2 Ų146.275%0.74781%0.813SS**  trans-75.787.6-167.929.6-36.2000113.1T456P454-T456 PolarHBondContact O-N 2.9Å
455S32.7Very low33.6Very low105 Ų105144 Ų14473%0.73481%0.806SS**  trans-74.2112.2172.9-174.90000111.7I453 S457I453-S455 PolarHBondContact O-N 3.1Å; S455-S457 PolarHBondContact O-N 2.91Å; S455-S457 VanDerWaalsContact O-N 3.11Å
456T37.5Very low34Very low141 Ų141141.1 Ų141.187%0.86581%0.808SS**  trans-83.882.5-175.855.80000112.9P454P454-T456 PolarHBondContact O-N 2.9Å
457S35.4Very low34.6Very low101 Ų101141 Ų14171%0.70680%0.802SS**  trans-145.3124.8160.967.40000113S455 G459S455-S457 PolarHBondContact O-N 2.91Å; S455-S457 VanDerWaalsContact O-N 3.11Å; S457-G459 PolarHBondContact O-N 3.45Å
458K39.6Very low35.2Very low214 Ų214143.6 Ų143.693%0.9380%0.802SS**  trans-90.175.3175.4-76.5-169.1174.6-176.30110.9T460K458-T460 PolarHBondContact O-N 3.28Å
459G31.6Very low35.5Very low69 Ų69141.2 Ų141.271%0.71180%0.799SS**  trans-78.7109.516700000111.2S457 L461S457-G459 PolarHBondContact O-N 3.45Å; G459-L461 PolarHBondContact O-N 3.47Å
460T37.6Very low35.9Very low135 Ų135145 Ų14583%0.82880%0.802SS**  trans-75.993.1175.147.40000111K458 N462K458-T460 PolarHBondContact O-N 3.28Å; T460-N462 PolarHBondContact O-N 3.24Å
461L32.5Very low36.3Very low156 Ų156146.4 Ų146.482%0.81780%0.8SS**  trans-71.3111.7176.1-172.273.5000111G459 R463G459-L461 PolarHBondContact O-N 3.47Å; L461-R463 PolarHBondContact O-N 2.99Å
462N34.3Very low36.4Very low142 Ų142150.2 Ų150.276%0.75981%0.805SS**  trans-69.1100.9176-92.3-22.1000111.6T460 F464T460-N462 PolarHBondContact O-N 3.24Å; N462-F464 PolarHBondContact O-N 2.78Å
463R36.4Very low36.4Very low220 Ų220145.9 Ų145.983%0.8380%0.798SS**  trans-84.497.4162.7-82.9-171.1171.9-167.1-0.3110.5L461L461-R463 PolarHBondContact O-N 2.99Å
464F35Very low36.5Very low176 Ų176144.4 Ų144.477%0.77280%0.801SS**  trans-128.8118.7157.3-76.1-74.6000109.5N462N462-F464 PolarHBondContact O-N 2.78Å
465T41.4Very low36.5Very low113 Ų113147.4 Ų147.469%0.69381%0.81SS**  trans-94157.6-173.944.20000112.1T467T465-T467 PolarHBondContact O-N 3.02Å
466A37.1Very low36.6Very low110 Ų110153.5 Ų153.591%0.90982%0.817SS**THydrogen-bonded Turntrans-77.140-167.600000115.5
467T42.2Very low36.4Very low114 Ų114154.2 Ų154.270%0.69982%0.816SS**THydrogen-bonded Turntrans-114.83.1-169.848.80000115.9T465T465-T467 PolarHBondContact O-N 3.02Å
468Q41.2Very low36.7Very low163 Ų163158.1 Ų158.176%0.76282%0.823SS**SBendtrans-95.1-5.3-177.8-68.3-167.4-9.600116
469F37.1Very low36.9Very low210 Ų210155.3 Ų155.392%0.92182%0.818SS**THydrogen-bonded Turntrans-91.37.1-171.6-92.7-73.6000116.9
470M38.3Very low37.1Very low182 Ų182161 Ų16190%0.89783%0.826SS**THydrogen-bonded Turntrans-109.612.4-175.9-79.4-66.7-171.400115.5
471N40.1Very low37.3Very low147 Ų147158.9 Ų158.979%0.78682%0.822SS**SBendtrans-127.830.3-171.2-103.2-20000116.2
472Y33.7Very low37.7Very low234 Ų234157 Ų15792%0.91882%0.82SS**  trans-136.576.3165.4-79.9-72.2000112.1
473G32.4Very low37.8Very low71 Ų71155.9 Ų155.973%0.73282%0.82SS**  trans-86.5149166.300000112.1
474S36.8Very low38Very low114 Ų114150.9 Ų150.980%0.79782%0.818SS**  trans51.994.7165.1-62.10000118.4
475N34.7Very low38.2Very low178 Ų178151.8 Ų151.895%0.95282%0.821SS**  -161.7112121.4-93.5-33.3000109
476R34.7Very low38Very low233 Ų233156.9 Ų156.988%0.87983%0.828SS**  trans-134111.5178.4-171-179-169.1179.45108.7
477D32.6Very low37.8Very low156 Ų156160 Ų16083%0.83483%0.828SS**  trans-64.1132.5175.1-106.1-55.2000110.8N479D477-N479 VanDerWaalsContact C-N 3.3Å; D477-N479 PolarHBondContact O-N 2.91Å
478E41.4Very low37.9Very low184 Ų184163.1 Ų163.186%0.8683%0.832SS**SBendtrans-86.69-170.6-62.5-165.7124.700114.3
479N44.4Very low37.5Very low155 Ų155162.4 Ų162.483%0.82983%0.833SS**  trans-123.434.7-164.4-76.1-76.2000116.1D477D477-N479 VanDerWaalsContact C-N 3.3Å; D477-N479 PolarHBondContact O-N 2.91Å
480E34.7Very low37.3Very low187 Ų187160.5 Ų160.587%0.87483%0.827SS**  trans-136.4121.4164.3-158.6166.3-141.900112.9
481A42.7Very low37.6Very low91 Ų91161.6 Ų161.675%0.75283%0.829SS**  trans-95.1123.2-176.600000111.1
482P40.2Very low37.5Very low117 Ų117163 Ų16376%0.7683%0.831SS**  trans-67.8136.9-177.826.6-33.9000111.7C484P482-C484 PolarHBondContact O-N 3.26Å; P482-C484 VanDerWaalsContact O-N 3.15Å
483P36.9Very low37.7Very low119 Ų119160.9 Ų160.977%0.77383%0.83SS**  trans-73.9108.9-170.627.9-34.9000112.6K485P483-K485 PolarHBondContact O-N 3.49Å; P483-K485 VanDerWaalsContact O-N 3.14Å
484C39.6Very low38.1Very low114 Ų114166.3 Ų166.377%0.7783%0.834SS**  trans-66.1109.9174.1-176.80000111.6P482P482-C484 PolarHBondContact O-N 3.26Å; P482-C484 VanDerWaalsContact O-N 3.15Å
485K41.1Very low38.4Very low196 Ų196165.9 Ų165.985%0.85283%0.828SS**  trans-129.9103.9166.3-75.2-171.8177.4178.50110.5P483P483-K485 PolarHBondContact O-N 3.49Å; P483-K485 VanDerWaalsContact O-N 3.14Å
486R35.5Very low38.8Very low220 Ų220166.6 Ų166.683%0.8383%0.828SS**  trans-67.8131.1167.8-66.7171.6171.8145.9-4.7109.5
487L33.9Very low39.6Very low174 Ų174159.7 Ų159.791%0.91182%0.815SS**  trans-104.3151.5145.2-81.4165.4000108.1
488K43.1Very low40.5Very low181 Ų181161.1 Ų161.179%0.78782%0.817SS**  trans-117.4177.7172.4-81.1-164.5168.3-154.60108.1
489L33Very low40.9Very low148 Ų148158.2 Ų158.278%0.77581%0.814SS**  trans79128.3-166.3-66.670.2000110.7
490E33.2Very low41Very low169 Ų169156.7 Ų156.779%0.7980%0.804SS**  cis-145.8150.6-5.7-125.6147.6-150.500110E492E490-E492 PolarHBondContact O-N 3.35Å
491E44.3Very low41.9Very low205 Ų205151.9 Ų151.996%0.95879%0.789SS**  trans-89.591.5-176.8-72.9169.917300109.4
492E37.7Very low42.2Very low177 Ų177152.9 Ų152.983%0.82778%0.781SS**  trans-108.3110.8163.6-149.4166.1-138.800108.8E490 F494E490-E492 PolarHBondContact O-N 3.35Å; E492-F494 PolarHBondContact O-N 2.96Å; E492-F494 VanDerWaalsContact O-N 3.16Å
493E39.3Very low42.6Very low189 Ų189157.9 Ų157.988%0.88379%0.787SS**  trans-76.999.4-168.7-175.1174.2-162.900110.7P495E493-P495 WeakPolarHBondContact O-CD 3.26Å
494F39.6Very low43.1Very low185 Ų185160 Ų16081%0.81178%0.784SS**  trans-59.4119.3173-84.7-93.8000110.3E492 M496E492-F494 PolarHBondContact O-N 2.96Å; E492-F494 VanDerWaalsContact O-N 3.16Å; F494-M496 PolarHBondContact O-N 2.55Å
495P43.6Very low43.5Very low105 Ų105160.6 Ų160.668%0.68277%0.773SS**  trans-72.899.7-178.828.7-33.8000110.3E493 S497E493-P495 WeakPolarHBondContact O-CD 3.26Å; P495-S497 PolarHBondContact O-N 3.07Å
496M43.1Very low43.5Very low193 Ų193158.8 Ų158.895%0.95177%0.768SS**  trans-68.317.8173.6-77.6-69-63.500114F494F494-M496 PolarHBondContact O-N 2.55Å
497S52.9Low44Very low88 Ų88154.8 Ų154.862%0.61577%0.77SS**SBendtrans-118.5120.3179.458.30000110.2P495P495-S497 PolarHBondContact O-N 3.07Å
498Q51.2Low44.1Very low186 Ų186151.8 Ų151.887%0.86976%0.764SS**  trans-58.8143.4173.1-65.5176.7-61.400110.9M500Q498-M500 PolarHBondContact O-N 2.88Å; Q498-M500 VanDerWaalsContact O-N 3.15Å
499P49.9Very low43.7Very low124 Ų124148.2 Ų148.281%0.80576%0.761SS**  trans-65.9115171.927.6-33.1000109.7
500M46Very low44Very low123 Ų123146.7 Ų146.761%0.60676%0.758SS**  trans-66.7130.8177.8-153.3171.691.800109.9Q498 F504Q498-M500 PolarHBondContact O-N 2.88Å; Q498-M500 VanDerWaalsContact O-N 3.15Å; M500-F504 HydrophobicContact CE-CB 3.44Å; M500-F504 VanDerWaalsContact CE-CB 3.44Å; M500-F504 HydrophobicContact CE-CG 3.95Å
501P52.9Low44Very low85 Ų85148.1 Ų148.155%0.55276%0.763SS**  trans-55139.3-175.4-28.535.4000113.6Y503 F504P501-Y503 PolarHBondContact O-N 3.31Å; P501-F504 PolarHBondContact O-N 3.27Å
502D49.4Very low43.7Very low112 Ų112145 Ų14560%0.59975%0.752SS**G310 helixtrans-61.5-16.7-170-73.9-62000115.2F504 K505D502-F504 PolarHBondContact O-N 3.47Å; D502-K505 PolarHBondContact O-N 3.26Å; D502-K505 VanDerWaalsContact O-N 3.08Å; D502-K505 VanDerWaalsContact OD1-CD 3.3Å; D502-K505 WeakPolarHBondContact OD1-CD 3.35Å; D502-K505 VanDerWaalsContact OD1-CE 3.27Å; D502-K505 WeakPolarHBondContact OD1-CE 3.33Å; D502-K505 IonicContact OD1-NZ 2.65Å; D502-K505 PolarHBondContact OD1-NZ 2.73Å
503Y48.2Very low43.5Very low223 Ų223143.8 Ų143.888%0.87575%0.751SS**G310 helixtrans-54.4-18.2173.4-75.8-82000114.8P501P501-Y503 PolarHBondContact O-N 3.31Å
504F48.4Very low43.7Very low163 Ų163143.4 Ų143.472%0.71575%0.747SS**G310 helixtrans-962.2178.4-85.2-83.7000115.7M500 P501 D502 H506M500-F504 HydrophobicContact CE-CB 3.44Å; M500-F504 VanDerWaalsContact CE-CB 3.44Å; M500-F504 HydrophobicContact CE-CG 3.95Å; P501-F504 PolarHBondContact O-N 3.27Å; D502-F504 PolarHBondContact O-N 3.47Å; F504-H506 PolarHBondContact O-N 3.16Å
505K46.3Very low43.6Very low126 Ų126142.3 Ų142.355%0.54875%0.75SS.*SBendtrans-91.615.9-171.3-66.1-178.2-172.6163.30115.9D502D502-K505 PolarHBondContact O-N 3.26Å; D502-K505 VanDerWaalsContact O-N 3.08Å; D502-K505 VanDerWaalsContact OD1-CD 3.3Å; D502-K505 WeakPolarHBondContact OD1-CD 3.35Å; D502-K505 VanDerWaalsContact OD1-CE 3.27Å; D502-K505 WeakPolarHBondContact OD1-CE 3.33Å; D502-K505 IonicContact OD1-NZ 2.65Å; D502-K505 PolarHBondContact OD1-NZ 2.73Å
506H41.4Very low43.8Very low159 Ų159144.6 Ų144.674%0.73676%0.756SS**  trans-129.8101.7-176.3-67.9-28.4000114F504 S508F504-H506 PolarHBondContact O-N 3.16Å; H506-S508 VanDerWaalsContact C-N 3.3Å; H506-S508 PolarHBondContact O-N 2.82Å
507P46.2Very low43.7Very low135 Ų135143.6 Ų143.688%0.87775%0.749SS**  trans-81.173.7171.233.9-34000111S509P507-S509 PolarHBondContact O-N 2.92Å
508S36.1Very low43.2Very low111 Ų111144.1 Ų144.178%0.77675%0.753SS**  trans-78.3109.2174-71.50000110.8H506H506-S508 VanDerWaalsContact C-N 3.3Å; H506-S508 PolarHBondContact O-N 2.82Å
509S35.6Very low42.6Very low106 Ų106141.8 Ų141.874%0.74175%0.746SS**  trans-59.8154.7-178.3-179.80000114.1P507P507-S509 PolarHBondContact O-N 2.92Å
510T39.3Very low42.1Very low116 Ų116146.8 Ų146.871%0.71275%0.749SS**  trans89.680.4155.2-23.60000117.2
511F32.6Very low41.9Very low200 Ų200150 Ų15088%0.87776%0.76SS**  -147.3134.4125.3-127.2-85.5000110.2
512N38.9Very low41.4Very low139 Ų139151.2 Ų151.274%0.74377%0.77SS**  trans-92.3129.8175.5-67.9-26.5000109.4
513N32.2Very low40.8Very low151 Ų151151 Ų15181%0.80778%0.777SS**  -167.8162.9112.8-100.1-34.1000112.7
514F43Very low40.7Very low182 Ų182145.9 Ų145.980%0.79877%0.772SS**  trans-67.6141.3-176.6-63.4-105.4000112.2
515D37.4Very low40.3Very low161 Ų161147 Ų14786%0.86178%0.779SS**  -155.8127.8110.9-111.3-25.8000111
516D49Very low39.9Very low153 Ų153147.3 Ų147.382%0.81879%0.786SS**  trans-113.487.7-170.2-154.1-4.9000109.2
517Q40.4Very low39.9Very low172 Ų172145.6 Ų145.680%0.80478%0.782SS**  trans-126.8103.2172.7-70.7-142.828.100112.4L519Q517-L519 PolarHBondContact O-N 3.38Å; Q517-L519 VanDerWaalsContact O-N 3.14Å
518S41.9Very low39.9Very low99 Ų99147.7 Ų147.769%0.69278%0.778SS**  trans-75.995.1177-173.50000111.4R520S518-R520 PolarHBondContact O-N 3.15Å
519L38.8Very low40.3Very low138 Ų138148.5 Ų148.572%0.72377%0.774SS**  trans-69.890.1168.6-70.5179.7000110.6Q517 F521Q517-L519 PolarHBondContact O-N 3.38Å; Q517-L519 VanDerWaalsContact O-N 3.14Å; L519-F521 HydrophobicContact CB-CE2 4.47Å; L519-F521 PolarHBondContact O-N 3.14Å
520R41Very low40.5Very low228 Ų228148.7 Ų148.786%0.8677%0.766SS**  trans-74.3105.8170.9-69.8-175.2173.6-159.2-1.7110.3S518 S522S518-R520 PolarHBondContact O-N 3.15Å; R520-S522 PolarHBondContact O-N 3.2Å
521F41.6Very low40.7Very low191 Ų191150.4 Ų150.484%0.83877%0.771SS**  trans-71.2110.7167.7-67.2-82.8000110.4L519L519-F521 HydrophobicContact CB-CE2 4.47Å; L519-F521 PolarHBondContact O-N 3.14Å
522S41.4Very low41.3Very low111 Ų111150.4 Ų150.478%0.77677%0.767SS**PPolyproline II helixtrans-74.7132.6167.948.90000110.3R520R520-S522 PolarHBondContact O-N 3.2Å
523S38Very low41.4Very low106 Ų106150.9 Ų150.974%0.74177%0.769SS**PPolyproline II helixtrans-58.3133.7-179.6-48.60000112.1H525S523-H525 PolarHBondContact O-N 3.38Å
524P45.3Very low41.6Very low117 Ų117150.8 Ų150.876%0.7677%0.767SS**PPolyproline II helixtrans-59.6135172-22.133.2000111.3
525H40.5Very low41.6Very low186 Ų186149.3 Ų149.386%0.86177%0.768SS**PPolyproline II helixtrans-83.3119157.8-86.236.1000107.7S523 N527S523-H525 PolarHBondContact O-N 3.38Å; H525-N527 PolarHBondContact O-N 3.34Å; H525-N527 VanDerWaalsContact O-N 3.1Å
526N37.3Very low41.6Very low133 Ų133150.2 Ų150.271%0.71177%0.765SS**  trans-70.2102.5165-90.718.9000108.4F528N526-F528 HydrophobicContact CB-CD2 4.47Å; N526-F528 HydrophobicContact CB-CE2 4.39Å
527N40.8Very low41Very low122 Ų122149 Ų14965%0.65277%0.768SS**  trans-88.3136.5158.7-138.953.4000107.2H525H525-N527 PolarHBondContact O-N 3.34Å; H525-N527 VanDerWaalsContact O-N 3.1Å
528F46.5Very low40.8Very low180 Ų180148 Ų14879%0.78977%0.768SS**SBendtrans-100.77.9-163.1-109.3-84.3000114.6N526N526-F528 HydrophobicContact CB-CD2 4.47Å; N526-F528 HydrophobicContact CB-CE2 4.39Å
529D44.3Very low40.7Very low128 Ų128149.9 Ų149.968%0.68477%0.77SS**  trans-119.911.1-163.5-50.9-61.4000114.6D531D529-D531 VanDerWaalsContact C-N 3.33Å; D529-D531 PolarHBondContact O-N 3.37Å
530D40.6Very low40.7Very low109 Ų109150.7 Ų150.758%0.58378%0.776SS**  trans-84.165.6-176.3-89.744000112.5Y532D530-Y532 HydrophobicContact CB-CD2 4.41Å; D530-Y532 HydrophobicContact CB-CE2 4.03Å; D530-Y532 WeakPolarHBondContact O-CD2 3.4Å; D530-Y532 PolarHBondContact O-N 2.71Å; D530-Y532 VanDerWaalsContact O-N 3.13Å
531D42.4Very low40.7Very low153 Ų153147.1 Ų147.182%0.81877%0.774SS**  trans-73.392.2175.5-86.2-31.9000112.5D529 L533D529-D531 VanDerWaalsContact C-N 3.33Å; D529-D531 PolarHBondContact O-N 3.37Å; D531-L533 PolarHBondContact O-N 3.19Å; D531-L533 VanDerWaalsContact O-N 3.09Å
532Y45.3Very low40.5Very low199 Ų199144.5 Ų144.578%0.7877%0.773SS**  trans-81.582.9173-76.8-86.7000112.5D530 L534D530-Y532 HydrophobicContact CB-CD2 4.41Å; D530-Y532 HydrophobicContact CB-CE2 4.03Å; D530-Y532 WeakPolarHBondContact O-CD2 3.4Å; D530-Y532 PolarHBondContact O-N 2.71Å; D530-Y532 VanDerWaalsContact O-N 3.13Å; Y532-L534 PolarHBondContact O-N 3.02Å
533L42.2Very low40.3Very low150 Ų150145.2 Ų145.279%0.78577%0.772SS**  trans-63.2121.2168.2-76.9163.8000111.6D531 N535D531-L533 PolarHBondContact O-N 3.19Å; D531-L533 VanDerWaalsContact O-N 3.09Å; L533-N535 PolarHBondContact O-N 3Å
534L36.8Very low40.7Very low149 Ų149145.6 Ų145.678%0.7877%0.772SS**  trans-82.191.9173.7-71171.4000110.6Y532 F536Y532-L534 PolarHBondContact O-N 3.02Å; L534-F536 HydrophobicContact CB-CE2 4.28Å; L534-F536 PolarHBondContact O-N 3.32Å
535N41.1Very low40.1Very low151 Ų151146.8 Ų146.881%0.80778%0.778SS**  trans-74.2114.3172.1-75.3-10.5000110.9L533L533-N535 PolarHBondContact O-N 3Å
536F39.1Very low39.9Very low180 Ų180142.7 Ų142.779%0.78978%0.776SS**  trans-113.6116.4161.5-72.8-86000108.1L534L534-F536 HydrophobicContact CB-CE2 4.28Å; L534-F536 PolarHBondContact O-N 3.32Å
537S36.4Very low39.9Very low127 Ų127141.1 Ų141.189%0.88878%0.782SS**  trans-160.3134.7161.9-70.20000108.9
538D35.6Very low39.5Very low152 Ų152140.5 Ų140.581%0.81379%0.787SS**  trans-85.1-174.5177.5-104.2-52.2000112.1
539D40Very low39.1Very low137 Ų137135.8 Ų135.873%0.73378%0.781SS**  trans64.7108.7163.9-60-29.3000118.2
540N39.1Very low38.6Very low156 Ų156139.7 Ų139.783%0.83479%0.788SS**  -172152.287.8-102-84.1000113.8
541D40.6Very low38.7Very low153 Ų153141.5 Ų141.582%0.81880%0.796SS**  trans-66.9123.2172.6-102.4-49.1000112.8
542V37.1Very low38.6Very low136 Ų136145.4 Ų145.482%0.82482%0.816SS**  trans-143.9112.9149-1730000111.3
543T37.2Very low38.2Very low125 Ų125142.8 Ų142.877%0.76782%0.818SS**  trans-122.4163147.462.90000108.2
544P45.8Very low38Very low114 Ų114142.4 Ų142.474%0.7482%0.819SS**  cis-126.9179.91.342.6-29.3000113.7
545T33.8Very low38.1Very low143 Ų143142 Ų14288%0.87782%0.821SS**  trans-172.9145.4131.6-77.50000109.5
546A36.5Very low37.9Very low99 Ų99141.5 Ų141.582%0.81882%0.822SS**  trans-99.9131.4-172.800000114.5
547A35.8Very low37.8Very low101 Ų101139.1 Ų139.184%0.83582%0.824SS**  trans-167.3153154.400000108.2
548S32.9Very low37.9Very low108 Ų108139.9 Ų139.976%0.75582%0.82SS**  cis167103.9-20.8163.90000106.2
549A38.5Very low38.1Very low82 Ų82139 Ų13968%0.67882%0.821SS**  trans72.8165.8155.500000121
550Y34.1Very low37.9Very low209 Ų209139.2 Ų139.282%0.8283%0.827SS**  trans70.8111.9-175.1-57.5-80.8000114.3
551I43.3Very low37.8Very low147 Ų147137.8 Ų137.875%0.75483%0.827SS**  cis69.794.240.4-47.3169.5000112.7
552L38.3Very low37.6Very low236 Ų236136.4 Ų136.4100%1.23683%0.828SS**  -1510105.6-126.9167.2000110.5

Retrieved 552 of 552 residues in 94.9 ms (Link to these results)