A0A096LX10_POEFO Loading...

Zinc transporter 6

AlphaFold DB , UniProt , Accession A0A096LX10, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 348 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
1S46Very low43.1Very low139 Ų139141.9 Ų141.997%0.97273%0.729SS**  016.10-157.20000113.9
2V37.7Very low43.7Very low115 Ų115140.9 Ų140.970%0.69772%0.719SS**  trans-97.9-30.2178.2172.40000111.4R4 F5V2-R4 PolarHBondContact O-N 3.1Å; V2-F5 PolarHBondContact O-N 2.75Å
3E37.7Very low44.3Very low156 Ų156133.8 Ų133.873%0.72970%0.702SS**Hα-helixtrans-59.2-33.5178.4-63126.8161.300112.9F5 V6 E7E3-F5 PolarHBondContact O-N 3.21Å; E3-F5 VanDerWaalsContact O-N 3.1Å; E3-V6 PolarHBondContact O-N 3.18Å; E3-V6 VanDerWaalsContact O-N 3.12Å; E3-E7 PolarHBondContact O-N 3.12Å
4R43.2Very low44.9Very low220 Ų220137.2 Ų137.283%0.8370%0.701SS**Hα-helixtrans-64.6-8.7174-95.5-168.3179.4-179.31.1115.5V2V2-R4 PolarHBondContact O-N 3.1Å
5F43.5Very low45.6Very low165 Ų165135.5 Ų135.572%0.72469%0.693SS**Hα-helixtrans-99.8-22.2173-100.3-83.8000113.3V2 E3V2-F5 PolarHBondContact O-N 2.75Å; E3-F5 PolarHBondContact O-N 3.21Å; E3-F5 VanDerWaalsContact O-N 3.1Å
6V46.5Very low46.4Very low128 Ų128133.9 Ų133.978%0.77669%0.686SS**Hα-helixtrans-79.8-35.4175174.90000110.4E3 Q8E3-V6 PolarHBondContact O-N 3.18Å; E3-V6 VanDerWaalsContact O-N 3.12Å; V6-Q8 PolarHBondContact O-N 3.28Å
7E42.5Very low47.5Very low160 Ų160131.2 Ų131.275%0.74868%0.677SS**  trans-101.768.7-178.6-157.3160.8-141.900111.7E3E3-E7 PolarHBondContact O-N 3.12Å
8Q40.8Very low48.3Very low131 Ų131126.1 Ų126.161%0.61266%0.661SS**  trans-91.2110.6161.4-70.7-158.10.100109.4V6 E10V6-Q8 PolarHBondContact O-N 3.28Å; Q8-E10 PolarHBondContact O-N 2.97Å
9P43.8Very low49.1Very low97 Ų97122.6 Ų122.663%0.6365%0.646SS**  trans-86.6105.6-161.232.1-35.2000112.5V11P9-V11 WeakPolarHBondContact O-CG2 3.07Å; P9-V11 PolarHBondContact O-N 3.44Å
10E45.6Very low49.6Very low154 Ų154124.1 Ų124.172%0.7265%0.647SS**SBendtrans61.31.4154.5-145.4-178.6-159.500117.6Q8 Q12Q8-E10 PolarHBondContact O-N 2.97Å; E10-Q12 PolarHBondContact O-N 3.45Å
11V47Very low50.4Low96 Ų96121.4 Ų121.458%0.58264%0.636SS**Hα-helixtrans-71.3-34.3-169.6-160.20000112.6P9 G13 R14 L15P9-V11 WeakPolarHBondContact O-CG2 3.07Å; P9-V11 PolarHBondContact O-N 3.44Å; V11-G13 PolarHBondContact O-N 3.4Å; V11-R14 PolarHBondContact O-N 2.66Å; V11-L15 WeakPolarHBondContact O-CB 3.37Å; V11-L15 PolarHBondContact O-N 2.83Å
12Q50.3Low51Low130 Ų130117.6 Ų117.661%0.60761%0.613SS**Hα-helixtrans-64.4-39.7-176-80.8164.7-59.600112.9E10 L16E10-Q12 PolarHBondContact O-N 3.45Å; Q12-L16 PolarHBondContact O-N 3.1Å
13G51.7Low52.3Low49 Ų49113.8 Ų113.851%0.50559%0.588SS.*Hα-helixtrans-66.1-43.9173.900000112V11 L15 L16 V17V11-G13 PolarHBondContact O-N 3.4Å; G13-L15 PolarHBondContact O-N 3.07Å; G13-L16 PolarHBondContact O-N 3.23Å; G13-V17 WeakPolarHBondContact O-CG2 3.41Å; G13-V17 PolarHBondContact O-N 3.25Å; G13-V17 VanDerWaalsContact O-N 3.1Å
14R52.2Low53.6Low181 Ų181111.9 Ų111.968%0.68358%0.578SS**Hα-helixtrans-70-31.4-178.8-63.1-179.470.7-1632113V11 G18V11-R14 PolarHBondContact O-N 2.66Å; R14-G18 PolarHBondContact O-N 3.29Å
15L55.5Low54.4Low112 Ų112107.1 Ų107.159%0.58656%0.563SS**Hα-helixtrans-69.7-40.1175-174.665.3000112V11 G13 G18 T19V11-L15 WeakPolarHBondContact O-CB 3.37Å; V11-L15 PolarHBondContact O-N 2.83Å; G13-L15 PolarHBondContact O-N 3.07Å; L15-G18 PolarHBondContact O-N 2.83Å; L15-T19 WeakPolarHBondContact O-CB 3.33Å; L15-T19 PolarHBondContact O-N 3.44Å; L15-T19 PolarHBondContact O-OG1 3.43Å
16L58Low55.2Low110 Ų110102.6 Ų102.658%0.57655%0.547SS*.Hα-helixtrans-67-45.3176.4-171.2148.1000111.2Q12 G13 T19 F20Q12-L16 PolarHBondContact O-N 3.1Å; G13-L16 PolarHBondContact O-N 3.23Å; L16-T19 PolarHBondContact O-N 2.85Å; L16-F20 PolarHBondContact O-N 3.35Å
17V65.2Low55.7Low88 Ų8899.5 Ų99.553%0.53353%0.525SS..Hα-helixtrans-61.3-45.1173173.20000111G13 T19 F20 V21G13-V17 WeakPolarHBondContact O-CG2 3.41Å; G13-V17 PolarHBondContact O-N 3.25Å; G13-V17 VanDerWaalsContact O-N 3.1Å; V17-T19 VanDerWaalsContact C-N 3.29Å; V17-T19 PolarHBondContact O-N 3.41Å; V17-F20 PolarHBondContact O-N 3.5Å; V17-V21 HydrophobicContact CG1-CG2 4.24Å; V17-V21 WeakPolarHBondContact O-CB 3.3Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 2.96Å
18G62Low56.4Low38 Ų3895.8 Ų95.839%0.39251%0.51SS..Hα-helixtrans-59.4-38.1175.900000113R14 L15 A22R14-G18 PolarHBondContact O-N 3.29Å; L15-G18 PolarHBondContact O-N 2.83Å; G18-A22 WeakPolarHBondContact O-CB 3.3Å; G18-A22 PolarHBondContact O-N 2.76Å
19T63.3Low57.1Low60 Ų6093.4 Ų93.437%0.36851%0.505SS..Hα-helixtrans-67.1-42.3175.1-560000111.5L15 L16 V17 L23L15-T19 WeakPolarHBondContact O-CB 3.33Å; L15-T19 PolarHBondContact O-N 3.44Å; L15-T19 PolarHBondContact O-OG1 3.43Å; L16-T19 PolarHBondContact O-N 2.85Å; V17-T19 VanDerWaalsContact C-N 3.29Å; V17-T19 PolarHBondContact O-N 3.41Å; T19-L23 VanDerWaalsContact O-CB 3.22Å; T19-L23 WeakPolarHBondContact O-CB 3.47Å; T19-L23 PolarHBondContact O-N 3.12Å
20F59.6Low57.5Low153 Ų15391.7 Ų91.767%0.67149%0.49SS*.Hα-helixtrans-66.2-42.6177.5-162.4-90.1000112.2L16 V17 L23 F24L16-F20 PolarHBondContact O-N 3.35Å; V17-F20 PolarHBondContact O-N 3.5Å; F20-L23 PolarHBondContact O-N 3.39Å; F20-F24 WeakPolarHBondContact O-CB 3.42Å; F20-F24 PolarHBondContact O-N 2.95Å
21V66.5Low57.9Low68 Ų6888.4 Ų88.441%0.41248%0.477SS..Hα-helixtrans-66.2-45.5176172.30000111V17 L23 F24 F25V17-V21 HydrophobicContact CG1-CG2 4.24Å; V17-V21 WeakPolarHBondContact O-CB 3.3Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 2.96Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 3.44Å; V21-F24 PolarHBondContact O-N 3.48Å; V21-F25 HydrophobicContact CG1-CD2 3.69Å; V21-F25 HydrophobicContact CG1-CE2 3.71Å; V21-F25 VanDerWaalsContact O-CD2 3.31Å; V21-F25 WeakPolarHBondContact O-CD2 3.32Å; V21-F25 PolarHBondContact O-N 3.45Å
22A58.6Low58.2Low59 Ų5987.9 Ų87.949%0.48848%0.478SS..Hα-helixtrans-61.5-39.6175.100000112G18 F25 N26G18-A22 WeakPolarHBondContact O-CB 3.3Å; G18-A22 PolarHBondContact O-N 2.76Å; A22-F25 PolarHBondContact O-N 3.15Å; A22-N26 WeakPolarHBondContact O-CB 3.37Å; A22-N26 PolarHBondContact O-N 2.86Å
23L64.5Low58.3Low34 Ų3485.2 Ų85.218%0.17847%0.47CS..Hα-helixtrans-64.7-41.8175-173.6148000111.7T19 F20 V21 N26 L27 F86 L87T19-L23 VanDerWaalsContact O-CB 3.22Å; T19-L23 WeakPolarHBondContact O-CB 3.47Å; T19-L23 PolarHBondContact O-N 3.12Å; F20-L23 PolarHBondContact O-N 3.39Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 3.44Å; L23-N26 PolarHBondContact O-N 3.23Å; L23-L27 VanDerWaalsContact O-CB 3.23Å; L23-L27 WeakPolarHBondContact O-CB 3.42Å; L23-L27 PolarHBondContact O-N 3.43Å; L23-F86 HydrophobicContact CD1-CD1 4.29Å; L23-F86 HydrophobicContact CD1-CE1 4.49Å; L23-L87 HydrophobicContact CD1-CD2 3.53Å; L23-L87 HydrophobicContact CD1-CG 4.12Å
24F65.6Low58.1Low117 Ų11793.4 Ų93.451%0.51349%0.486SS..Hα-helixtrans-62.5-47175.5-178.3-95.2000112.2F20 V21 L27 L28F20-F24 WeakPolarHBondContact O-CB 3.42Å; F20-F24 PolarHBondContact O-N 2.95Å; V21-F24 PolarHBondContact O-N 3.48Å; F24-L27 PolarHBondContact O-N 2.88Å; F24-L28 WeakPolarHBondContact O-CB 3.31Å; F24-L28 PolarHBondContact O-N 3.49Å
25F60.4Low58Low119 Ų11988.8 Ų88.852%0.52248%0.475SS..Hα-helixtrans-70.1-34.2177.8-79.9-69.7000113.2V21 A22 L28 T29V21-F25 HydrophobicContact CG1-CD2 3.69Å; V21-F25 HydrophobicContact CG1-CE2 3.71Å; V21-F25 VanDerWaalsContact O-CD2 3.31Å; V21-F25 WeakPolarHBondContact O-CD2 3.32Å; V21-F25 PolarHBondContact O-N 3.45Å; A22-F25 PolarHBondContact O-N 3.15Å; F25-L28 HydrophobicContact CD1-CD2 4.42Å; F25-L28 PolarHBondContact O-N 3.46Å; F25-T29 WeakPolarHBondContact O-CB 3.46Å; F25-T29 PolarHBondContact O-N 3.43Å; F25-T29 PolarHBondContact O-OG1 3.36Å
26N59.3Low57.6Low71 Ų7192 Ų9238%0.3848%0.484SS..Hα-helixtrans-64.4-46.5172.6-172.626.7000110.9A22 L23 L28 T29 L30A22-N26 WeakPolarHBondContact O-CB 3.37Å; A22-N26 PolarHBondContact O-N 2.86Å; L23-N26 PolarHBondContact O-N 3.23Å; N26-L28 PolarHBondContact O-N 3.43Å; N26-T29 PolarHBondContact O-N 2.88Å; N26-L30 WeakPolarHBondContact O-CB 3.17Å; N26-L30 WeakPolarHBondContact O-CG 3.41Å; N26-L30 PolarHBondContact O-N 3Å; N26-L30 WeakPolarHBondContact OD1-CD1 3.37Å
27L58Low57Low62 Ų6289.1 Ų89.133%0.32547%0.472SS..Hα-helixtrans-59.3-46.6174.2-178.764.5000111.3L23 F24 T29 L30 L31L23-L27 VanDerWaalsContact O-CB 3.23Å; L23-L27 WeakPolarHBondContact O-CB 3.42Å; L23-L27 PolarHBondContact O-N 3.43Å; F24-L27 PolarHBondContact O-N 2.88Å; L27-T29 PolarHBondContact O-N 3.18Å; L27-L30 PolarHBondContact O-N 3.26Å; L27-L31 HydrophobicContact CD1-CD1 4.1Å; L27-L31 HydrophobicContact CD1-CG 4.26Å; L27-L31 HydrophobicContact CG-CD1 3.91Å; L27-L31 HydrophobicContact CG-CG 4.46Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.31Å; L27-L31 PolarHBondContact O-N 2.86Å
28L57Low56.2Low82 Ų8288 Ų8843%0.42946%0.46SS..Hα-helixtrans-62.5-40.5177.6-174.164.7000112.2F24 F25 N26 S32F24-L28 WeakPolarHBondContact O-CB 3.31Å; F24-L28 PolarHBondContact O-N 3.49Å; F25-L28 HydrophobicContact CD1-CD2 4.42Å; F25-L28 PolarHBondContact O-N 3.46Å; N26-L28 PolarHBondContact O-N 3.43Å; L28-S32 WeakPolarHBondContact O-CB 3.19Å; L28-S32 PolarHBondContact O-N 2.91Å; L28-S32 PolarHBondContact O-OG 2.83Å
29T54.4Low55.7Low82 Ų8288.2 Ų88.250%0.50346%0.455SS..Hα-helixtrans-64.6-48176.8-57.10000110.5F25 N26 L27 L31 S32 V33F25-T29 WeakPolarHBondContact O-CB 3.46Å; F25-T29 PolarHBondContact O-N 3.43Å; F25-T29 PolarHBondContact O-OG1 3.36Å; N26-T29 PolarHBondContact O-N 2.88Å; L27-T29 PolarHBondContact O-N 3.18Å; T29-L31 PolarHBondContact O-N 2.74Å; T29-S32 WeakPolarHBondContact O-CB 3.29Å; T29-S32 PolarHBondContact O-N 3.32Å; T29-S32 VanDerWaalsContact O-N 3.11Å; T29-V33 WeakPolarHBondContact O-CG2 3.29Å; T29-V33 PolarHBondContact O-N 3.46Å; T29-V33 VanDerWaalsContact O-N 3.13Å
30L52.5Low55.1Low61 Ų6193.2 Ų93.232%0.31947%0.469SS..Hα-helixtrans-68.6-31.7-179.9-69169.3000113N26 L27 H83N26-L30 WeakPolarHBondContact O-CB 3.17Å; N26-L30 WeakPolarHBondContact O-CG 3.41Å; N26-L30 PolarHBondContact O-N 3Å; N26-L30 WeakPolarHBondContact OD1-CD1 3.37Å; L27-L30 PolarHBondContact O-N 3.26Å; L30-H83 VanDerWaalsContact CD1-CE1 3.49Å; L30-H83 WeakPolarHBondContact CD1-CE1 3.35Å
31L55Low54.6Low85 Ų8588.4 Ų88.445%0.44545%0.452SS..Hα-helixtrans-71.2-29170.4-71.3171.9000112.7L27 T29 L76L27-L31 HydrophobicContact CD1-CD1 4.1Å; L27-L31 HydrophobicContact CD1-CG 4.26Å; L27-L31 HydrophobicContact CG-CD1 3.91Å; L27-L31 HydrophobicContact CG-CG 4.46Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.31Å; L27-L31 PolarHBondContact O-N 2.86Å; T29-L31 PolarHBondContact O-N 2.74Å; L31-L76 HydrophobicContact CD2-CD1 3.84Å; L31-L76 HydrophobicContact CD2-CG 4.49Å
32S52.9Low53.9Low85 Ų8586.2 Ų86.259%0.59444%0.439SS*.Hα-helixtrans-76.5-30.2178.8-60.70000112.7L28 T29 R34L28-S32 WeakPolarHBondContact O-CB 3.19Å; L28-S32 PolarHBondContact O-N 2.91Å; L28-S32 PolarHBondContact O-OG 2.83Å; T29-S32 WeakPolarHBondContact O-CB 3.29Å; T29-S32 PolarHBondContact O-N 3.32Å; T29-S32 VanDerWaalsContact O-N 3.11Å; S32-R34 PolarHBondContact O-N 3.4Å
33V51.5Low53.5Low74 Ų7489.8 Ų89.845%0.44845%0.45SS..  trans-82.984.1179.8-172.80000111.3T29 N35T29-V33 WeakPolarHBondContact O-CG2 3.29Å; T29-V33 PolarHBondContact O-N 3.46Å; T29-V33 VanDerWaalsContact O-N 3.13Å; V33-N35 VanDerWaalsContact C-N 3.31Å; V33-N35 VanDerWaalsContact CG1-ND2 3.33Å; V33-N35 WeakPolarHBondContact CG1-ND2 3.33Å; V33-N35 PolarHBondContact O-N 3.41Å
34R47.4Very low52.4Low221 Ų22194.7 Ų94.783%0.83448%0.476SS*.  trans-68.478.8172.2-84.8178.461.7169-0.6112.9S32 K36S32-R34 PolarHBondContact O-N 3.4Å; R34-K36 PolarHBondContact O-N 3.09Å
35N51.5Low51.7Low84 Ų8493.6 Ų93.645%0.44948%0.475SS..  trans-84.1103.4174.4-74.9-30.5000112.6V33 P37 F38V33-N35 VanDerWaalsContact C-N 3.31Å; V33-N35 VanDerWaalsContact CG1-ND2 3.33Å; V33-N35 WeakPolarHBondContact CG1-ND2 3.33Å; V33-N35 PolarHBondContact O-N 3.41Å; N35-P37 VanDerWaalsContact C-N 3.32Å; N35-P37 HydrophobicContact CB-CG 4.33Å; N35-F38 HydrophobicContact CB-CD2 3.4Å; N35-F38 VanDerWaalsContact CB-CD2 3.4Å; N35-F38 HydrophobicContact CB-CE2 3.7Å; N35-F38 PolarHBondContact O-N 2.94Å
36K47.3Very low51.1Low178 Ų17897.2 Ų97.277%0.77449%0.491SS*.THydrogen-bonded Turntrans-48-33.3170.7-64.6178-178.1175.20116.2R34 F38 S39R34-K36 PolarHBondContact O-N 3.09Å; K36-F38 VanDerWaalsContact C-N 3.28Å; K36-F38 PolarHBondContact O-N 2.91Å; K36-S39 PolarHBondContact O-OG 2.89Å
37P45.2Very low50.9Low50 Ų5096.2 Ų96.233%0.32548%0.484SS..Hα-helixtrans-68.2-19.5178.622.1-33.8000115.2N35 F171N35-P37 VanDerWaalsContact C-N 3.32Å; N35-P37 HydrophobicContact CB-CG 4.33Å; P37-F171 HydrophobicContact CB-CB 3.79Å; P37-F171 HydrophobicContact CB-CD2 4.01Å; P37-F171 HydrophobicContact CB-CG 4.11Å; P37-F171 HydrophobicContact CG-CD2 3.96Å
38F47.3Very low51.2Low64 Ų6497.4 Ų97.428%0.28150%0.496SS..Hα-helixtrans-79.7-22.2-175.4-73.3-97.6000114N35 K36 V41 S42 F79 F171N35-F38 HydrophobicContact CB-CD2 3.4Å; N35-F38 VanDerWaalsContact CB-CD2 3.4Å; N35-F38 HydrophobicContact CB-CE2 3.7Å; N35-F38 PolarHBondContact O-N 2.94Å; K36-F38 VanDerWaalsContact C-N 3.28Å; K36-F38 PolarHBondContact O-N 2.91Å; F38-V41 PolarHBondContact O-N 2.95Å; F38-S42 PolarHBondContact O-N 3.35Å; F38-S42 PolarHBondContact O-OG 2.88Å; F38-S42 VanDerWaalsContact O-OG 3.12Å; F38-F79 HydrophobicContact CD1-CZ 4.39Å; F38-F79 HydrophobicContact CG-CZ 4.49Å; F38-F171 HydrophobicContact CD2-CE2 4.4Å; F38-F171 HydrophobicContact CE1-CE1 4.24Å; F38-F171 HydrophobicContact CE1-CE2 4.23Å; F38-F171 AromaticContact CE1-CZ 3.68Å; F38-F171 HydrophobicContact CE1-CZ 3.68Å; F38-F171 HydrophobicContact CE2-CD2 4.27Å; F38-F171 AromaticContact CE2-CE2 3.52Å; F38-F171 HydrophobicContact CE2-CE2 3.52Å; F38-F171 AromaticContact CE2-CZ 3.86Å; F38-F171 HydrophobicContact CE2-CZ 3.86Å; F38-F171 HydrophobicContact CZ-CD2 4.48Å; F38-F171 HydrophobicContact CZ-CE1 4.22Å; F38-F171 AromaticContact CZ-CE2 3.43Å; F38-F171 HydrophobicContact CZ-CE2 3.43Å; F38-F171 VanDerWaalsContact CZ-CE2 3.43Å; F38-F171 AromaticContact CZ-CZ 3.27Å; F38-F171 HydrophobicContact CZ-CZ 3.27Å
39S51.5Low51.4Low43 Ų4398.7 Ų98.730%0.30150%0.503SS..Hα-helixtrans-65-42.1176.248.80000111.7K36 V41 S42 D43K36-S39 PolarHBondContact O-OG 2.89Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 3.27Å; S39-S42 WeakPolarHBondContact CA-OG 3.47Å; S39-S42 PolarHBondContact O-N 2.85Å; S39-S42 PolarHBondContact O-OG 3.46Å; S39-D43 PolarHBondContact O-N 3.42Å; S39-D43 VanDerWaalsContact O-N 3.11Å
40Y50.3Low52.1Low166 Ų166102.4 Ų102.465%0.65152%0.515SS*.Hα-helixtrans-59.8-37.7175.8-68.2-79.1000112.6S42 D44Y40-S42 VanDerWaalsContact C-N 3.33Å; Y40-S42 PolarHBondContact O-N 2.71Å; Y40-D44 PolarHBondContact O-N 3.4Å; Y40-D44 VanDerWaalsContact O-N 3.15Å
41V49.5Very low52.4Low52 Ų52102 Ų10232%0.31552%0.515SS..Hα-helixtrans-68.6-30.3176.5172.50000112.1F38 S39 I45F38-V41 PolarHBondContact O-N 2.95Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 3.27Å; V41-I45 HydrophobicContact CB-CD1 4.4Å; V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 WeakPolarHBondContact O-CG1 3.35Å
42S52.6Low52.8Low21 Ų21103.1 Ų103.115%0.14751%0.513CS..Hα-helixtrans-86.9-20.5-178.8460000115.3F38 S39 Y40F38-S42 PolarHBondContact O-N 3.35Å; F38-S42 PolarHBondContact O-OG 2.88Å; F38-S42 VanDerWaalsContact O-OG 3.12Å; S39-S42 WeakPolarHBondContact CA-OG 3.47Å; S39-S42 PolarHBondContact O-N 2.85Å; S39-S42 PolarHBondContact O-OG 3.46Å; Y40-S42 VanDerWaalsContact C-N 3.33Å; Y40-S42 PolarHBondContact O-N 2.71Å
43D49.9Very low53.6Low134 Ų134105.8 Ų105.872%0.71752%0.516SS*.Hα-helixtrans-101-40.9-177.9-65.5-31000113.2S39S39-D43 PolarHBondContact O-N 3.42Å; S39-D43 VanDerWaalsContact O-N 3.11Å
44D42.1Very low54Low137 Ų137108.6 Ų108.673%0.73352%0.518SS*.SBendtrans-99.7-15.5-172.6-96.8-33.1000115.6Y40 K46Y40-D44 PolarHBondContact O-N 3.4Å; Y40-D44 VanDerWaalsContact O-N 3.15Å; D44-K46 PolarHBondContact O-N 3.49Å
45I49.3Very low54.7Low95 Ų95100.1 Ų100.149%0.48749%0.486SS..SBendtrans-76.3113.7174.3-59.1-171.2000108.9V41 M47V41-I45 HydrophobicContact CB-CD1 4.4Å; V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 WeakPolarHBondContact O-CG1 3.35Å; I45-M47 PolarHBondContact O-N 2.95Å
46K48.2Very low55.4Low195 Ų195102.3 Ų102.385%0.84849%0.492SS*.  trans-54.684168.5-65.9-179.7179.4-1790110.8D44D44-K46 PolarHBondContact O-N 3.49Å
47M56.5Low56.3Low50 Ų5098 Ų9825%0.24648%0.483CS..  trans-68.6146.3172.7-65.2-151.2174.600110I45 V51 R55I45-M47 PolarHBondContact O-N 2.95Å; M47-V51 HydrophobicContact SD-CG1 4Å; M47-R55 PolarHBondContact SD-NH2 3.5Å
48P62.8Low57.2Low87 Ų8798.1 Ų98.157%0.56548%0.481SS*.  trans-52.6142.3173.2-24.734000111.1E50 V51 R52P48-E50 PolarHBondContact O-N 2.87Å; P48-V51 HydrophobicContact CB-CG2 4.27Å; P48-V51 HydrophobicContact CG-CG2 4.39Å; P48-V51 WeakPolarHBondContact O-CB 3.16Å; P48-V51 PolarHBondContact O-N 3.43Å; P48-R52 PolarHBondContact O-N 3.48Å
49D62.7Low58Low109 Ų10998 Ų9858%0.58348%0.48SS*.Hα-helixtrans-64.1-28.5-171.2-69.8-53.7000113.3R52 E53D49-R52 VanDerWaalsContact O-CB 3.29Å; D49-R52 WeakPolarHBondContact O-CB 3.23Å; D49-R52 PolarHBondContact O-N 2.86Å; D49-R52 IonicContact OD1-CZ 3.07Å; D49-R52 IonicContact OD1-NE 2.96Å; D49-R52 PolarHBondContact OD1-NE 2.89Å; D49-R52 IonicContact OD1-NH2 2.78Å; D49-R52 PolarHBondContact OD1-NH2 2.89Å; D49-E53 WeakPolarHBondContact O-CB 3.22Å; D49-E53 PolarHBondContact O-N 3.4Å
50E67.3Low58.7Low160 Ų160100 Ų10075%0.74849%0.49SS*.Hα-helixtrans-59-45.5169.4-173.3178.1-168.700112.5P48 R52 E53 W54P48-E50 PolarHBondContact O-N 2.87Å; E50-R52 VanDerWaalsContact C-N 3.3Å; E50-R52 PolarHBondContact O-N 2.92Å; E50-E53 PolarHBondContact O-N 2.72Å; E50-W54 PolarHBondContact O-N 2.97Å
51V60.8Low59.5Low52 Ų5294.2 Ų94.232%0.31548%0.481SS..Hα-helixtrans-68.5-32.9176.3-178.80000110.9M47 P48 R55M47-V51 HydrophobicContact SD-CG1 4Å; P48-V51 HydrophobicContact CB-CG2 4.27Å; P48-V51 HydrophobicContact CG-CG2 4.39Å; P48-V51 WeakPolarHBondContact O-CB 3.16Å; P48-V51 PolarHBondContact O-N 3.43Å; V51-R55 WeakPolarHBondContact O-CB 3.44Å; V51-R55 PolarHBondContact O-N 3.27Å; V51-R55 VanDerWaalsContact O-N 3.08Å
52R62.8Low59.9Low108 Ų10894.6 Ų94.641%0.40848%0.482SS..Hα-helixtrans-66.1-40.1174.2-165.4-157.7-54.1-85.20.8111.2P48 D49 E50 K56P48-R52 PolarHBondContact O-N 3.48Å; D49-R52 VanDerWaalsContact O-CB 3.29Å; D49-R52 WeakPolarHBondContact O-CB 3.23Å; D49-R52 PolarHBondContact O-N 2.86Å; D49-R52 IonicContact OD1-CZ 3.07Å; D49-R52 IonicContact OD1-NE 2.96Å; D49-R52 PolarHBondContact OD1-NE 2.89Å; D49-R52 IonicContact OD1-NH2 2.78Å; D49-R52 PolarHBondContact OD1-NH2 2.89Å; E50-R52 VanDerWaalsContact C-N 3.3Å; E50-R52 PolarHBondContact O-N 2.92Å; R52-K56 WeakPolarHBondContact O-CG 3.47Å; R52-K56 PolarHBondContact O-N 2.98Å; R52-K56 VanDerWaalsContact O-N 3.15Å
53E69.1Low60.5Low141 Ų14196.2 Ų96.266%0.65949%0.49SS*.Hα-helixtrans-71.5-46.9179-174.7161.9-156.900112D49 E50 R55 K56 C57D49-E53 WeakPolarHBondContact O-CB 3.22Å; D49-E53 PolarHBondContact O-N 3.4Å; E50-E53 PolarHBondContact O-N 2.72Å; E53-R55 VanDerWaalsContact C-N 3.29Å; E53-R55 PolarHBondContact O-N 2.71Å; E53-K56 WeakPolarHBondContact O-CB 3.27Å; E53-K56 PolarHBondContact O-N 3.21Å; E53-C57 PolarHBondContact O-N 3.37Å
54W60.7Low61.1Low133 Ų13397.6 Ų97.650%0.50449%0.492SS..Hα-helixtrans-59.4-41.1175.7-156.776.2000112E50 K56 C57 I58 L81E50-W54 PolarHBondContact O-N 2.97Å; W54-K56 PolarHBondContact O-N 2.93Å; W54-C57 PolarHBondContact O-N 2.87Å; W54-I58 HydrophobicContact CD2-CD1 3.82Å; W54-I58 HydrophobicContact CE3-CD1 3.41Å; W54-I58 VanDerWaalsContact CE3-CD1 3.41Å; W54-I58 HydrophobicContact CE3-CG1 4.5Å; W54-I58 HydrophobicContact CH2-CD1 3.45Å; W54-I58 VanDerWaalsContact CH2-CD1 3.45Å; W54-I58 HydrophobicContact CZ2-CD1 3.83Å; W54-I58 HydrophobicContact CZ3-CD1 3.21Å; W54-I58 PolarHBondContact O-N 3.3Å; W54-L81 HydrophobicContact CE3-CD2 3.93Å; W54-L81 HydrophobicContact CZ3-CD2 3.65Å
55R62.2Low62Low43 Ų4399.1 Ų99.116%0.16249%0.493CS..Hα-helixtrans-57.8-43171.6176.7-172.3-67.7-147-5.1112.4M47 V51 E53 K59 S77M47-R55 PolarHBondContact SD-NH2 3.5Å; V51-R55 WeakPolarHBondContact O-CB 3.44Å; V51-R55 PolarHBondContact O-N 3.27Å; V51-R55 VanDerWaalsContact O-N 3.08Å; E53-R55 VanDerWaalsContact C-N 3.29Å; E53-R55 PolarHBondContact O-N 2.71Å; R55-K59 HydrophobicContact CG-CD 4.44Å; R55-K59 WeakPolarHBondContact O-CG 3.37Å; R55-K59 PolarHBondContact O-N 3.11Å; R55-K59 VanDerWaalsContact O-N 3.1Å; R55-S77 WeakPolarHBondContact CD-OG 3.39Å; R55-S77 WeakPolarHBondContact CG-OG 3.2Å; R55-S77 VanDerWaalsContact CZ-OG 3.24Å; R55-S77 PolarHBondContact NE-OG 3.17Å; R55-S77 PolarHBondContact NH1-OG 2.74Å
56K66.6Low62.5Low130 Ų13098 Ų9857%0.56549%0.487SS*.Hα-helixtrans-64.3-47.5176.9-73.8169.6-179.5179.50110.7R52 E53 W54 I58 K59 T60R52-K56 WeakPolarHBondContact O-CG 3.47Å; R52-K56 PolarHBondContact O-N 2.98Å; R52-K56 VanDerWaalsContact O-N 3.15Å; E53-K56 WeakPolarHBondContact O-CB 3.27Å; E53-K56 PolarHBondContact O-N 3.21Å; W54-K56 PolarHBondContact O-N 2.93Å; K56-I58 PolarHBondContact O-N 3.45Å; K56-K59 PolarHBondContact O-N 2.98Å; K56-T60 PolarHBondContact O-N 2.9Å; K56-T60 PolarHBondContact O-OG1 2.82Å; K56-T60 VanDerWaalsContact O-OG1 3.12Å
57C65.6Low62.9Low87 Ų8793.2 Ų93.259%0.58848%0.476SS*.Hα-helixtrans-55.8-48.6179.5-171.80000112E53 W54 K59 T60 G61E53-C57 PolarHBondContact O-N 3.37Å; W54-C57 PolarHBondContact O-N 2.87Å; C57-K59 PolarHBondContact O-N 3.46Å; C57-T60 PolarHBondContact O-N 3.37Å; C57-G61 PolarHBondContact O-N 3.48Å
58I63.7Low62.8Low53 Ų5396 Ų9627%0.27250%0.5SS..Hα-helixtrans-63.8-43.1177.3-71.1177.1000112.1W54 K56 T60 G61 L62 I80W54-I58 HydrophobicContact CD2-CD1 3.82Å; W54-I58 HydrophobicContact CE3-CD1 3.41Å; W54-I58 VanDerWaalsContact CE3-CD1 3.41Å; W54-I58 HydrophobicContact CE3-CG1 4.5Å; W54-I58 HydrophobicContact CH2-CD1 3.45Å; W54-I58 VanDerWaalsContact CH2-CD1 3.45Å; W54-I58 HydrophobicContact CZ2-CD1 3.83Å; W54-I58 HydrophobicContact CZ3-CD1 3.21Å; W54-I58 PolarHBondContact O-N 3.3Å; K56-I58 PolarHBondContact O-N 3.45Å; I58-T60 VanDerWaalsContact C-N 3.34Å; I58-T60 PolarHBondContact O-N 3.13Å; I58-G61 PolarHBondContact O-N 2.7Å; I58-L62 WeakPolarHBondContact O-CB 3.3Å; I58-L62 PolarHBondContact O-N 3.07Å; I58-I80 HydrophobicContact CG2-CG2 4.49Å
59K64.8Low62.4Low62 Ų6294.2 Ų94.227%0.2749%0.485SS..Hα-helixtrans-61.8-42.9177.7-73.7-172.3-177.2-158.70111.4R55 K56 C57 V63 L73 S77R55-K59 HydrophobicContact CG-CD 4.44Å; R55-K59 WeakPolarHBondContact O-CG 3.37Å; R55-K59 PolarHBondContact O-N 3.11Å; R55-K59 VanDerWaalsContact O-N 3.1Å; K56-K59 PolarHBondContact O-N 2.98Å; C57-K59 PolarHBondContact O-N 3.46Å; K59-V63 WeakPolarHBondContact O-CB 3.45Å; K59-V63 WeakPolarHBondContact O-CG2 3.41Å; K59-V63 PolarHBondContact O-N 2.81Å; K59-L73 HydrophobicContact CB-CD2 4.07Å; K59-L73 VanDerWaalsContact CE-O 3.28Å; K59-L73 WeakPolarHBondContact CE-O 3.48Å; K59-L73 HydrophobicContact CG-CD2 3.92Å; K59-L73 HydrophobicContact CG-CG 4.36Å; K59-L73 PolarHBondContact NZ-O 3.46Å; K59-S77 VanDerWaalsContact CE-OG 3.25Å; K59-S77 WeakPolarHBondContact CE-OG 3.49Å; K59-S77 PolarHBondContact NZ-OG 2.87Å
60T66.4Low62.2Low84 Ų8492.5 Ų92.552%0.51548%0.482SS..Hα-helixtrans-62.3-49.9175.2-58.70000111.6K56 C57 I58 L62 V63 H64K56-T60 PolarHBondContact O-N 2.9Å; K56-T60 PolarHBondContact O-OG1 2.82Å; K56-T60 VanDerWaalsContact O-OG1 3.12Å; C57-T60 PolarHBondContact O-N 3.37Å; I58-T60 VanDerWaalsContact C-N 3.34Å; I58-T60 PolarHBondContact O-N 3.13Å; T60-L62 PolarHBondContact O-N 3.28Å; T60-V63 PolarHBondContact O-N 3.37Å; T60-H64 PolarHBondContact O-CD2 3.46Å; T60-H64 PolarHBondContact O-N 2.9Å
61G66.3Low61.6Low45 Ų4589.5 Ų89.546%0.46448%0.478SS..Hα-helixtrans-60.5-41.1179.600000113.3C57 I58 H64 F65C57-G61 PolarHBondContact O-N 3.48Å; I58-G61 PolarHBondContact O-N 2.7Å; G61-H64 PolarHBondContact O-N 2.84Å; G61-F65 PolarHBondContact O-N 3.24Å
62L58.4Low61.3Low61 Ų6191.2 Ų91.232%0.31949%0.485SS..Hα-helixtrans-74.4-34.7-179.7-151.186.8000112.9I58 T60 H64 F65 I66 L69 L73I58-L62 WeakPolarHBondContact O-CB 3.3Å; I58-L62 PolarHBondContact O-N 3.07Å; T60-L62 PolarHBondContact O-N 3.28Å; L62-H64 VanDerWaalsContact C-N 3.31Å; L62-F65 PolarHBondContact O-N 2.88Å; L62-I66 PolarHBondContact O-N 3.44Å; L62-L69 HydrophobicContact CD2-CD2 3.71Å; L62-L73 HydrophobicContact CB-CD2 4.23Å; L62-L73 HydrophobicContact CD2-CD1 3.56Å; L62-L73 HydrophobicContact CD2-CD2 4.13Å; L62-L73 HydrophobicContact CD2-CG 4.44Å
63V63.7Low60.9Low54 Ų5486.4 Ų86.433%0.32747%0.468SS..Hα-helixtrans-66.8-33.5172.9168.10000111.4K59 T60 F65 I66 P67 L73K59-V63 WeakPolarHBondContact O-CB 3.45Å; K59-V63 WeakPolarHBondContact O-CG2 3.41Å; K59-V63 PolarHBondContact O-N 2.81Å; T60-V63 PolarHBondContact O-N 3.37Å; V63-F65 VanDerWaalsContact C-N 3.34Å; V63-I66 CarbonylContact O-C 3.53Å; V63-P67 WeakPolarHBondContact O-CA 3.48Å; V63-L73 HydrophobicContact CG2-CD2 4.02Å
64H63Low60.3Low163 Ų16382.8 Ų82.876%0.75546%0.458SS*.Hα-helixtrans-66.9-32.2170.9-92.8-81.3000113.3T60 G61 L62T60-H64 PolarHBondContact O-CD2 3.46Å; T60-H64 PolarHBondContact O-N 2.9Å; G61-H64 PolarHBondContact O-N 2.84Å; L62-H64 VanDerWaalsContact C-N 3.31Å
65F61.8Low59.9Low170 Ų17083.6 Ų83.675%0.74647%0.465SS*.Hα-helixtrans-79.1-39.9178.7-167.5-111.3000112.6G61 L62 V63G61-F65 PolarHBondContact O-N 3.24Å; L62-F65 PolarHBondContact O-N 2.88Å; V63-F65 VanDerWaalsContact C-N 3.34Å
66I59.8Low59.6Low72 Ų7282.8 Ų82.837%0.36946%0.464SS..  trans-138.897.9176.6-56.4173000109.5L62 V63 S68 L69L62-I66 PolarHBondContact O-N 3.44Å; V63-I66 CarbonylContact O-C 3.53Å; I66-S68 PolarHBondContact O-N 3.43Å; I66-S68 VanDerWaalsContact O-N 3.15Å; I66-L69 HydrophobicContact CB-CB 4.42Å; I66-L69 HydrophobicContact CG2-CB 4.28Å; I66-L69 PolarHBondContact O-N 2.84Å; I66-L69 VanDerWaalsContact O-N 3.14Å
67P55.8Low59.4Low94 Ų9477 Ų7761%0.6144%0.44SS*.G310 helixtrans-64.1-24.2-174.923.1-33.1000113.8V63 L69V63-P67 WeakPolarHBondContact O-CA 3.48Å; P67-L69 VanDerWaalsContact C-N 3.26Å; P67-L69 PolarHBondContact O-N 3.29Å
68S55.1Low59.1Low107 Ų10774.7 Ų74.775%0.74843%0.425SS*.G310 helixtrans-72.3-10.8178.1-49.50000114.6I66I66-S68 PolarHBondContact O-N 3.43Å; I66-S68 VanDerWaalsContact O-N 3.15Å
69L53.3Low58.8Low50 Ų5075 Ų7526%0.26242%0.424SS..G310 helixtrans-87.5-3-173.8-137.973.2000114.5L62 I66 P67 S71 L72 L73L62-L69 HydrophobicContact CD2-CD2 3.71Å; I66-L69 HydrophobicContact CB-CB 4.42Å; I66-L69 HydrophobicContact CG2-CB 4.28Å; I66-L69 PolarHBondContact O-N 2.84Å; I66-L69 VanDerWaalsContact O-N 3.14Å; P67-L69 VanDerWaalsContact C-N 3.26Å; P67-L69 PolarHBondContact O-N 3.29Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.79Å; L69-L72 HydrophobicContact CD1-CD2 4.35Å; L69-L72 HydrophobicContact CG-CB 4.24Å; L69-L72 HydrophobicContact CG-CD2 4.49Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 3.43Å; L69-L72 VanDerWaalsContact O-N 3.1Å; L69-L73 HydrophobicContact CD2-CD1 3.96Å; L69-L73 HydrophobicContact CG-CD1 4.31Å; L69-L73 PolarHBondContact O-N 3.37Å; L69-L73 VanDerWaalsContact O-N 3.11Å
70S58.4Low58.6Low73 Ų7374.1 Ų74.151%0.5142%0.422SS..THydrogen-bonded Turntrans-54.5-40.7-17656.10000114L73S70-L73 PolarHBondContact O-N 2.99Å
71S55.8Low58.1Low97 Ų9772.4 Ų72.468%0.67841%0.41SS*.THydrogen-bonded Turntrans-68.7-37.3178.3-173.80000112.6L69 L73 S74L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.79Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-S74 PolarHBondContact O-OG 3.37Å
72L53.4Low58Low88 Ų8875.9 Ų75.946%0.46142%0.417SS..THydrogen-bonded Turntrans-69.2-33.7177.9-140.186000111.7L69 S74 F75 L76L69-L72 HydrophobicContact CD1-CD2 4.35Å; L69-L72 HydrophobicContact CG-CB 4.24Å; L69-L72 HydrophobicContact CG-CD2 4.49Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 3.43Å; L69-L72 VanDerWaalsContact O-N 3.1Å; L72-S74 PolarHBondContact O-N 2.91Å; L72-S74 VanDerWaalsContact O-N 3.13Å; L72-F75 PolarHBondContact O-N 3.4Å; L72-L76 HydrophobicContact CB-CD1 4.48Å; L72-L76 HydrophobicContact CD2-CD1 3.81Å; L72-L76 HydrophobicContact CD2-CD2 4.18Å; L72-L76 HydrophobicContact CG-CD1 3.85Å; L72-L76 WeakPolarHBondContact O-CD1 3.34Å; L72-L76 PolarHBondContact O-N 2.73Å
73L55.7Low58.2Low7 Ų774 Ų744%0.03741%0.407CS..THydrogen-bonded Turntrans-69.8-7.1-172.3-118.163.8000116.1K59 L62 V63 L69 S70 S71 L76 I80K59-L73 HydrophobicContact CB-CD2 4.07Å; K59-L73 VanDerWaalsContact CE-O 3.28Å; K59-L73 WeakPolarHBondContact CE-O 3.48Å; K59-L73 HydrophobicContact CG-CD2 3.92Å; K59-L73 HydrophobicContact CG-CG 4.36Å; K59-L73 PolarHBondContact NZ-O 3.46Å; L62-L73 HydrophobicContact CB-CD2 4.23Å; L62-L73 HydrophobicContact CD2-CD1 3.56Å; L62-L73 HydrophobicContact CD2-CD2 4.13Å; L62-L73 HydrophobicContact CD2-CG 4.44Å; V63-L73 HydrophobicContact CG2-CD2 4.02Å; L69-L73 HydrophobicContact CD2-CD1 3.96Å; L69-L73 HydrophobicContact CG-CD1 4.31Å; L69-L73 PolarHBondContact O-N 3.37Å; L69-L73 VanDerWaalsContact O-N 3.11Å; S70-L73 PolarHBondContact O-N 2.99Å; S71-L73 VanDerWaalsContact C-N 3.34Å; L73-L76 HydrophobicContact CD1-CD2 4.41Å; L73-I80 HydrophobicContact CD1-CD1 4.17Å
74S55.3Low58Low66 Ų6672.6 Ų72.646%0.46240%0.399SS..THydrogen-bonded Turntrans-68.6-59.5168.254.40000110.3S71 L72 L76S71-S74 PolarHBondContact O-OG 3.37Å; L72-S74 PolarHBondContact O-N 2.91Å; L72-S74 VanDerWaalsContact O-N 3.13Å; S74-L76 PolarHBondContact O-N 2.98Å
75F53.9Low57.9Low149 Ų14968.1 Ų68.165%0.65439%0.385SS*.G310 helixtrans-65.4-32.8179.7-73.5-82.1000114.2L72 S77L72-F75 PolarHBondContact O-N 3.4Å; F75-S77 PolarHBondContact O-N 3.45Å; F75-S77 VanDerWaalsContact O-N 3.16Å
76L55Low58.2Low27 Ų2765 Ų6514%0.14137%0.372CS..G310 helixtrans-72.4-5.6-173.2-10173000114.6L31 L72 L73 S74 S78 F79 I80L31-L76 HydrophobicContact CD2-CD1 3.84Å; L31-L76 HydrophobicContact CD2-CG 4.49Å; L72-L76 HydrophobicContact CB-CD1 4.48Å; L72-L76 HydrophobicContact CD2-CD1 3.81Å; L72-L76 HydrophobicContact CD2-CD2 4.18Å; L72-L76 HydrophobicContact CG-CD1 3.85Å; L72-L76 WeakPolarHBondContact O-CD1 3.34Å; L72-L76 PolarHBondContact O-N 2.73Å; L73-L76 HydrophobicContact CD1-CD2 4.41Å; S74-L76 PolarHBondContact O-N 2.98Å; L76-S78 PolarHBondContact O-N 2.8Å; L76-F79 PolarHBondContact O-N 3.31Å; L76-I80 HydrophobicContact CB-CD1 3.66Å; L76-I80 HydrophobicContact CB-CG1 3.86Å; L76-I80 HydrophobicContact CD2-CD1 3.86Å; L76-I80 HydrophobicContact CD2-CG1 3.94Å; L76-I80 HydrophobicContact CG-CD1 4.28Å; L76-I80 HydrophobicContact CG-CG1 4.2Å; L76-I80 WeakPolarHBondContact O-CB 3.34Å; L76-I80 WeakPolarHBondContact O-CG1 3.44Å; L76-I80 PolarHBondContact O-N 3.36Å
77S63.3Low58.5Low8 Ų866 Ų666%0.05638%0.377CS..G310 helixtrans-67.7-29.2-161.1-152.10000116.3R55 K59 F75R55-S77 WeakPolarHBondContact CD-OG 3.39Å; R55-S77 WeakPolarHBondContact CG-OG 3.2Å; R55-S77 VanDerWaalsContact CZ-OG 3.24Å; R55-S77 PolarHBondContact NE-OG 3.17Å; R55-S77 PolarHBondContact NH1-OG 2.74Å; K59-S77 VanDerWaalsContact CE-OG 3.25Å; K59-S77 WeakPolarHBondContact CE-OG 3.49Å; K59-S77 PolarHBondContact NZ-OG 2.87Å; F75-S77 PolarHBondContact O-N 3.45Å; F75-S77 VanDerWaalsContact O-N 3.16Å
78S57.7Low58.8Low38 Ų3866.7 Ų66.727%0.26638%0.375SS..THydrogen-bonded Turntrans-91.6-29173.4-58.80000112.1L76 L82L76-S78 PolarHBondContact O-N 2.8Å; S78-L82 PolarHBondContact O-N 3.27Å
79F57.4Low59.2Low59 Ų5965.9 Ų65.926%0.25937%0.366SS..Hα-helixtrans-76.6-39.4-179.2-68.3-80.9000112.4F38 L76 L81 L82 H83F38-F79 HydrophobicContact CD1-CZ 4.39Å; F38-F79 HydrophobicContact CG-CZ 4.49Å; L76-F79 PolarHBondContact O-N 3.31Å; F79-L81 VanDerWaalsContact C-N 3.29Å; F79-L81 PolarHBondContact O-N 3.29Å; F79-L82 PolarHBondContact O-N 3.02Å; F79-H83 WeakPolarHBondContact O-CB 3.33Å; F79-H83 PolarHBondContact O-N 2.91Å; F79-H83 PolarHBondContact O-ND1 3.16Å
80I61.9Low59.7Low45 Ų4565 Ų6523%0.23136%0.363CS..Hα-helixtrans-58.1-43.3172-73.1172.4000110.2I58 L73 L76 H83 S84I58-I80 HydrophobicContact CG2-CG2 4.49Å; L73-I80 HydrophobicContact CD1-CD1 4.17Å; L76-I80 HydrophobicContact CB-CD1 3.66Å; L76-I80 HydrophobicContact CB-CG1 3.86Å; L76-I80 HydrophobicContact CD2-CD1 3.86Å; L76-I80 HydrophobicContact CD2-CG1 3.94Å; L76-I80 HydrophobicContact CG-CD1 4.28Å; L76-I80 HydrophobicContact CG-CG1 4.2Å; L76-I80 WeakPolarHBondContact O-CB 3.34Å; L76-I80 WeakPolarHBondContact O-CG1 3.44Å; L76-I80 PolarHBondContact O-N 3.36Å; I80-H83 PolarHBondContact O-N 3.15Å; I80-S84 VanDerWaalsContact O-CB 3.23Å; I80-S84 WeakPolarHBondContact O-CB 3.42Å; I80-S84 PolarHBondContact O-N 3.13Å; I80-S84 PolarHBondContact O-OG 2.86Å
81L56.2Low60.3Low47 Ų4767.8 Ų67.825%0.24637%0.367CS..Hα-helixtrans-59.3-52.8179-88.3162.5000110.9W54 F79 H83 S84 C85W54-L81 HydrophobicContact CE3-CD2 3.93Å; W54-L81 HydrophobicContact CZ3-CD2 3.65Å; F79-L81 VanDerWaalsContact C-N 3.29Å; F79-L81 PolarHBondContact O-N 3.29Å; L81-H83 PolarHBondContact O-N 3.17Å; L81-S84 PolarHBondContact O-N 3.45Å; L81-S84 PolarHBondContact O-OG 3.11Å; L81-C85 PolarHBondContact O-N 3.1Å; L81-C85 PolarHBondContact O-SG 2.89Å
82L63.3Low60.7Low118 Ų11866.7 Ų66.762%0.61836%0.359SS*.Hα-helixtrans-61.2-40.9178.2-17166.2000112.8S78 F79 C85 F86S78-L82 PolarHBondContact O-N 3.27Å; F79-L82 PolarHBondContact O-N 3.02Å; L82-C85 PolarHBondContact O-N 3.33Å; L82-F86 PolarHBondContact O-N 3.14Å
83H62.4Low61.2Low23 Ų2365.7 Ų65.711%0.10636%0.36CS..Hα-helixtrans-69.8-33.6176-75.275.9000112.5L30 F79 I80 L81 F86 L87L30-H83 VanDerWaalsContact CD1-CE1 3.49Å; L30-H83 WeakPolarHBondContact CD1-CE1 3.35Å; F79-H83 WeakPolarHBondContact O-CB 3.33Å; F79-H83 PolarHBondContact O-N 2.91Å; F79-H83 PolarHBondContact O-ND1 3.16Å; I80-H83 PolarHBondContact O-N 3.15Å; L81-H83 PolarHBondContact O-N 3.17Å; H83-F86 PolarHBondContact O-N 3.43Å; H83-L87 VanDerWaalsContact O-CB 3.32Å; H83-L87 WeakPolarHBondContact O-CB 3.32Å; H83-L87 VanDerWaalsContact O-CG 3.28Å; H83-L87 WeakPolarHBondContact O-CG 3.13Å; H83-L87 PolarHBondContact O-N 3.3Å
84S60.2Low61.8Low23 Ų2369.1 Ų69.116%0.16138%0.381CS..Hα-helixtrans-67.5-40.5175.373.50000110.9I80 L81 L87 L88I80-S84 VanDerWaalsContact O-CB 3.23Å; I80-S84 WeakPolarHBondContact O-CB 3.42Å; I80-S84 PolarHBondContact O-N 3.13Å; I80-S84 PolarHBondContact O-OG 2.86Å; L81-S84 PolarHBondContact O-N 3.45Å; L81-S84 PolarHBondContact O-OG 3.11Å; S84-L87 PolarHBondContact O-N 2.95Å; S84-L88 WeakPolarHBondContact O-CB 3.33Å; S84-L88 WeakPolarHBondContact O-CD1 3.23Å; S84-L88 WeakPolarHBondContact O-CG 3.42Å; S84-L88 PolarHBondContact O-N 3.18Å
85C61.3Low62.3Low69 Ų6970 Ų7047%0.46638%0.379SS..Hα-helixtrans-60.6-47.3169.9-66.60000111L81 L82 L87 L88 T89L81-C85 PolarHBondContact O-N 3.1Å; L81-C85 PolarHBondContact O-SG 2.89Å; L82-C85 PolarHBondContact O-N 3.33Å; C85-L87 PolarHBondContact O-N 3.2Å; C85-L88 PolarHBondContact O-N 3.02Å; C85-T89 WeakPolarHBondContact O-CB 3.28Å; C85-T89 PolarHBondContact O-N 3.42Å; C85-T89 PolarHBondContact O-OG1 3.29Å
86F67.8Low63.1Low106 Ų10668 Ų6847%0.46538%0.375SS..Hα-helixtrans-63-39.7178.7-169.9-97.9000113L23 L82 H83 S90L23-F86 HydrophobicContact CD1-CD1 4.29Å; L23-F86 HydrophobicContact CD1-CE1 4.49Å; L82-F86 PolarHBondContact O-N 3.14Å; H83-F86 PolarHBondContact O-N 3.43Å; F86-S90 VanDerWaalsContact O-CB 3.27Å; F86-S90 WeakPolarHBondContact O-CB 3.49Å; F86-S90 PolarHBondContact O-N 3.36Å; F86-S90 PolarHBondContact O-OG 3.07Å
87L65.2Low63.7Low93 Ų9371.5 Ų71.549%0.48739%0.394SS..Hα-helixtrans-62.7-45.7173-79.4165.2000111.4L23 H83 S84 C85 S90 F91L23-L87 HydrophobicContact CD1-CD2 3.53Å; L23-L87 HydrophobicContact CD1-CG 4.12Å; H83-L87 VanDerWaalsContact O-CB 3.32Å; H83-L87 WeakPolarHBondContact O-CB 3.32Å; H83-L87 VanDerWaalsContact O-CG 3.28Å; H83-L87 WeakPolarHBondContact O-CG 3.13Å; H83-L87 PolarHBondContact O-N 3.3Å; S84-L87 PolarHBondContact O-N 2.95Å; C85-L87 PolarHBondContact O-N 3.2Å; L87-S90 PolarHBondContact O-N 3.02Å; L87-F91 WeakPolarHBondContact O-CB 3.17Å; L87-F91 PolarHBondContact O-N 3.33Å
88L62.8Low63.8Low108 Ų10875 Ų7557%0.56541%0.411SS*.Hα-helixtrans-66-41.1178.1-71.8167.9000112S84 C85 S92S84-L88 WeakPolarHBondContact O-CB 3.33Å; S84-L88 WeakPolarHBondContact O-CD1 3.23Å; S84-L88 WeakPolarHBondContact O-CG 3.42Å; S84-L88 PolarHBondContact O-N 3.18Å; C85-L88 PolarHBondContact O-N 3.02Å; L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 2.95Å
89T63.1Low64.4Low90 Ų9076.2 Ų76.255%0.55242%0.42SS*.Hα-helixtrans-65.1-41.7174.1-570000111.5C85 S93C85-T89 WeakPolarHBondContact O-CB 3.28Å; C85-T89 PolarHBondContact O-N 3.42Å; C85-T89 PolarHBondContact O-OG1 3.29Å; T89-S93 WeakPolarHBondContact O-CB 3.49Å; T89-S93 PolarHBondContact O-N 3.26Å; T89-S93 PolarHBondContact O-OG 3.23Å
90S63.6Low64.8Low30 Ų3077 Ų7721%0.2143%0.429CS..Hα-helixtrans-66.3-45.7177-58.50000111.5F86 L87 S93 V94F86-S90 VanDerWaalsContact O-CB 3.27Å; F86-S90 WeakPolarHBondContact O-CB 3.49Å; F86-S90 PolarHBondContact O-N 3.36Å; F86-S90 PolarHBondContact O-OG 3.07Å; L87-S90 PolarHBondContact O-N 3.02Å; S90-S93 WeakPolarHBondContact O-CB 3.49Å; S90-S93 PolarHBondContact O-N 3.46Å; S90-V94 WeakPolarHBondContact O-CG2 3.42Å; S90-V94 PolarHBondContact O-N 3.34Å
91F70.2Confident65.1Low132 Ų13280 Ų8058%0.57944%0.441SS*.Hα-helixtrans-63.9-43.2177.3-175.9-109.4000111.9L87 S93 V94 L95L87-F91 WeakPolarHBondContact O-CB 3.17Å; L87-F91 PolarHBondContact O-N 3.33Å; F91-S93 VanDerWaalsContact C-N 3.32Å; F91-S93 PolarHBondContact O-N 3.38Å; F91-V94 PolarHBondContact O-N 3.18Å; F91-L95 HydrophobicContact CD1-CD1 3.8Å; F91-L95 HydrophobicContact CD1-CG 4.41Å; F91-L95 HydrophobicContact CE1-CD1 3.41Å; F91-L95 VanDerWaalsContact CE1-CD1 3.41Å; F91-L95 HydrophobicContact CE1-CG 4.16Å; F91-L95 HydrophobicContact CZ-CD1 3.88Å; F91-L95 HydrophobicContact CZ-CD2 4.47Å; F91-L95 HydrophobicContact CZ-CG 4.25Å; F91-L95 WeakPolarHBondContact O-CB 3.23Å; F91-L95 WeakPolarHBondContact O-CG 3.42Å; F91-L95 PolarHBondContact O-N 2.96Å
92S64.3Low65.6Low74 Ų7483.7 Ų83.752%0.51746%0.455SS..Hα-helixtrans-60.6-40172.6-177.70000111.9L88 L95 L96L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 2.95Å; S92-L95 PolarHBondContact O-N 2.81Å; S92-L96 VanDerWaalsContact O-CB 3.3Å; S92-L96 WeakPolarHBondContact O-CB 3.34Å; S92-L96 PolarHBondContact O-N 3.18Å
93S63.9Low65.5Low68 Ų6880.9 Ų80.948%0.47645%0.449SS..Hα-helixtrans-65.8-38.8176.5-57.80000112.5T89 S90 F91 L96 L97T89-S93 WeakPolarHBondContact O-CB 3.49Å; T89-S93 PolarHBondContact O-N 3.26Å; T89-S93 PolarHBondContact O-OG 3.23Å; S90-S93 WeakPolarHBondContact O-CB 3.49Å; S90-S93 PolarHBondContact O-N 3.46Å; F91-S93 VanDerWaalsContact C-N 3.32Å; F91-S93 PolarHBondContact O-N 3.38Å; S93-L96 PolarHBondContact O-N 2.92Å; S93-L97 WeakPolarHBondContact O-CB 3.34Å; S93-L97 PolarHBondContact O-N 3.37Å
94V69.6Low65.5Low79 Ų7983.7 Ų83.748%0.47947%0.467SS..Hα-helixtrans-69.5-41.1174.6173.60000111.3S90 F91 L96 L97 L98S90-V94 WeakPolarHBondContact O-CG2 3.42Å; S90-V94 PolarHBondContact O-N 3.34Å; F91-V94 PolarHBondContact O-N 3.18Å; V94-L96 VanDerWaalsContact C-N 3.34Å; V94-L97 PolarHBondContact O-N 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.35Å; V94-L98 PolarHBondContact O-N 2.71Å
95L65.3Low65.6Low83 Ų8387 Ų8744%0.43548%0.483SS..Hα-helixtrans-64.7-36.7174.2-74.8179.2000112.5F91 S92 L98 S99F91-L95 HydrophobicContact CD1-CD1 3.8Å; F91-L95 HydrophobicContact CD1-CG 4.41Å; F91-L95 HydrophobicContact CE1-CD1 3.41Å; F91-L95 VanDerWaalsContact CE1-CD1 3.41Å; F91-L95 HydrophobicContact CE1-CG 4.16Å; F91-L95 HydrophobicContact CZ-CD1 3.88Å; F91-L95 HydrophobicContact CZ-CD2 4.47Å; F91-L95 HydrophobicContact CZ-CG 4.25Å; F91-L95 WeakPolarHBondContact O-CB 3.23Å; F91-L95 WeakPolarHBondContact O-CG 3.42Å; F91-L95 PolarHBondContact O-N 2.96Å; S92-L95 PolarHBondContact O-N 2.81Å; L95-L98 PolarHBondContact O-N 3.33Å; L95-S99 WeakPolarHBondContact O-CB 3.36Å; L95-S99 PolarHBondContact O-N 3.06Å; L95-S99 PolarHBondContact O-OG 3.03Å
96L69.9Low65.5Low109 Ų10987.6 Ų87.657%0.57149%0.488SS*.Hα-helixtrans-66.7-42.2173.8-17865.3000111.3S92 S93 V94 L98 S99 V100S92-L96 VanDerWaalsContact O-CB 3.3Å; S92-L96 WeakPolarHBondContact O-CB 3.34Å; S92-L96 PolarHBondContact O-N 3.18Å; S93-L96 PolarHBondContact O-N 2.92Å; V94-L96 VanDerWaalsContact C-N 3.34Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 2.86Å; L96-S99 PolarHBondContact O-N 3.32Å; L96-S99 PolarHBondContact O-OG 3.12Å; L96-S99 VanDerWaalsContact O-OG 3.09Å; L96-V100 HydrophobicContact CD1-CG2 4.35Å; L96-V100 WeakPolarHBondContact O-CB 3.41Å; L96-V100 VanDerWaalsContact O-CG2 3.24Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 2.73Å
97L68.6Low64.9Low100 Ų10086.2 Ų86.252%0.52449%0.491SS..Hα-helixtrans-62-41.1174.4-172.867.7000111.2S93 V94 F101S93-L97 WeakPolarHBondContact O-CB 3.34Å; S93-L97 PolarHBondContact O-N 3.37Å; V94-L97 PolarHBondContact O-N 3.3Å; L97-F101 VanDerWaalsContact O-CB 3.3Å; L97-F101 WeakPolarHBondContact O-CB 3.16Å; L97-F101 PolarHBondContact O-N 3.03Å
98L66Low64.2Low82 Ų8286.2 Ų86.243%0.42950%0.499SS..Hα-helixtrans-68.7-40.5177.6-170.866.8000112.2V94 L95 L96 F101 F102V94-L98 WeakPolarHBondContact O-CB 3.35Å; V94-L98 PolarHBondContact O-N 2.71Å; L95-L98 PolarHBondContact O-N 3.33Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 2.86Å; L98-F101 WeakPolarHBondContact O-CB 3.26Å; L98-F101 PolarHBondContact O-N 3.12Å; L98-F102 HydrophobicContact CD1-CD2 4.23Å; L98-F102 HydrophobicContact CD1-CE2 3.73Å; L98-F102 HydrophobicContact CD2-CE2 4.23Å; L98-F102 HydrophobicContact CG-CD2 3.95Å; L98-F102 HydrophobicContact CG-CE2 3.71Å; L98-F102 WeakPolarHBondContact O-CD2 3.28Å; L98-F102 PolarHBondContact O-N 3.11Å
99S69.6Low63.6Low63 Ų6386.4 Ų86.444%0.44151%0.508SS..Hα-helixtrans-70.7-37.9177.970.70000112.2L95 L96 F102 A103L95-S99 WeakPolarHBondContact O-CB 3.36Å; L95-S99 PolarHBondContact O-N 3.06Å; L95-S99 PolarHBondContact O-OG 3.03Å; L96-S99 PolarHBondContact O-N 3.32Å; L96-S99 PolarHBondContact O-OG 3.12Å; L96-S99 VanDerWaalsContact O-OG 3.09Å; S99-F102 PolarHBondContact O-N 3.21Å; S99-A103 VanDerWaalsContact O-CB 3.29Å; S99-A103 WeakPolarHBondContact O-CB 3.22Å; S99-A103 PolarHBondContact O-N 3.34Å
100V66.1Low63.1Low76 Ų7686.7 Ų86.746%0.46151%0.514SS..Hα-helixtrans-63.2-41.9170.5170.10000110.7L96 A103 V104L96-V100 HydrophobicContact CD1-CG2 4.35Å; L96-V100 WeakPolarHBondContact O-CB 3.41Å; L96-V100 VanDerWaalsContact O-CG2 3.24Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 2.73Å; V100-A103 PolarHBondContact O-N 2.83Å; V100-V104 HydrophobicContact CG1-CG2 4.37Å; V100-V104 WeakPolarHBondContact O-CB 3.41Å; V100-V104 VanDerWaalsContact O-CG2 3.3Å; V100-V104 WeakPolarHBondContact O-CG2 3.39Å; V100-V104 PolarHBondContact O-N 3.37Å
101F67.3Low62.4Low106 Ų10690.5 Ų90.547%0.46554%0.54SS..Hα-helixtrans-60.3-47.5175-179.8-103.1000112.1L97 L98 A103 V104 L105L97-F101 VanDerWaalsContact O-CB 3.3Å; L97-F101 WeakPolarHBondContact O-CB 3.16Å; L97-F101 PolarHBondContact O-N 3.03Å; L98-F101 WeakPolarHBondContact O-CB 3.26Å; L98-F101 PolarHBondContact O-N 3.12Å; F101-A103 PolarHBondContact O-N 3.35Å; F101-V104 PolarHBondContact O-N 2.91Å; F101-L105 HydrophobicContact CD1-CD1 3.87Å; F101-L105 HydrophobicContact CE1-CD1 3.45Å; F101-L105 VanDerWaalsContact CE1-CD1 3.45Å; F101-L105 HydrophobicContact CE1-CG 4.43Å; F101-L105 HydrophobicContact CE2-CD1 4.5Å; F101-L105 HydrophobicContact CZ-CD1 3.81Å; F101-L105 HydrophobicContact CZ-CG 4.47Å; F101-L105 WeakPolarHBondContact O-CG 3.49Å; F101-L105 PolarHBondContact O-N 2.94Å
102F66.5Low60.9Low126 Ų12692.3 Ų92.355%0.55356%0.555SS**Hα-helixtrans-65.1-35.7174.4-78.5-61.8000113.3L98 S99 L105 S106L98-F102 HydrophobicContact CD1-CD2 4.23Å; L98-F102 HydrophobicContact CD1-CE2 3.73Å; L98-F102 HydrophobicContact CD2-CE2 4.23Å; L98-F102 HydrophobicContact CG-CD2 3.95Å; L98-F102 HydrophobicContact CG-CE2 3.71Å; L98-F102 WeakPolarHBondContact O-CD2 3.28Å; L98-F102 PolarHBondContact O-N 3.11Å; S99-F102 PolarHBondContact O-N 3.21Å; F102-L105 HydrophobicContact CD1-CD1 4.48Å; F102-L105 PolarHBondContact O-N 3.34Å; F102-S106 VanDerWaalsContact O-CB 3.29Å; F102-S106 WeakPolarHBondContact O-CB 3.38Å; F102-S106 PolarHBondContact O-N 3.4Å
103A61.4Low60.5Low58 Ų5894 Ų9448%0.47956%0.564SS.*Hα-helixtrans-67.6-38.7175.300000112.2S99 V100 F101 S106 S107S99-A103 VanDerWaalsContact O-CB 3.29Å; S99-A103 WeakPolarHBondContact O-CB 3.22Å; S99-A103 PolarHBondContact O-N 3.34Å; V100-A103 PolarHBondContact O-N 2.83Å; F101-A103 PolarHBondContact O-N 3.35Å; A103-S106 PolarHBondContact O-N 2.83Å; A103-S107 WeakPolarHBondContact O-CB 3.49Å; A103-S107 PolarHBondContact O-N 3.02Å; A103-S107 PolarHBondContact O-OG 3.39Å
104V63.3Low60.5Low82 Ų8296 Ų9650%0.49758%0.575SS.*Hα-helixtrans-65.9-43.3173.6170.90000110.7V100 F101 S106 S107 S108V100-V104 HydrophobicContact CG1-CG2 4.37Å; V100-V104 WeakPolarHBondContact O-CB 3.41Å; V100-V104 VanDerWaalsContact O-CG2 3.3Å; V100-V104 WeakPolarHBondContact O-CG2 3.39Å; V100-V104 PolarHBondContact O-N 3.37Å; F101-V104 PolarHBondContact O-N 2.91Å; V104-S106 PolarHBondContact O-N 2.84Å; V104-S107 WeakPolarHBondContact CA-OG 3.36Å; V104-S107 PolarHBondContact O-OG 3.07Å; V104-S107 VanDerWaalsContact O-OG 3.12Å; V104-S108 WeakPolarHBondContact O-CB 3.31Å; V104-S108 PolarHBondContact O-N 3.48Å; V104-S108 PolarHBondContact O-OG 3.11Å
105L61.3Low59Low93 Ų9399.1 Ų99.149%0.48759%0.589SS.*Hα-helixtrans-61.8-42.8173.9-72.7172.4000112.7F101 F102 S108F101-L105 HydrophobicContact CD1-CD1 3.87Å; F101-L105 HydrophobicContact CE1-CD1 3.45Å; F101-L105 VanDerWaalsContact CE1-CD1 3.45Å; F101-L105 HydrophobicContact CE1-CG 4.43Å; F101-L105 HydrophobicContact CE2-CD1 4.5Å; F101-L105 HydrophobicContact CZ-CD1 3.81Å; F101-L105 HydrophobicContact CZ-CG 4.47Å; F101-L105 WeakPolarHBondContact O-CG 3.49Å; F101-L105 PolarHBondContact O-N 2.94Å; F102-L105 HydrophobicContact CD1-CD1 4.48Å; F102-L105 PolarHBondContact O-N 3.34Å; L105-S108 PolarHBondContact O-N 3.32Å
106S59.2Low57.7Low82 Ų82105 Ų10557%0.57361%0.605SS**Hα-helixtrans-66.6-47178.8-174.70000112.4F102 A103 V104 S108 C109F102-S106 VanDerWaalsContact O-CB 3.29Å; F102-S106 WeakPolarHBondContact O-CB 3.38Å; F102-S106 PolarHBondContact O-N 3.4Å; A103-S106 PolarHBondContact O-N 2.83Å; V104-S106 PolarHBondContact O-N 2.84Å; S106-S108 VanDerWaalsContact C-N 3.29Å; S106-S108 PolarHBondContact O-N 3.2Å; S106-C109 WeakPolarHBondContact O-CB 3.23Å; S106-C109 PolarHBondContact O-N 2.93Å
107S55.3Low56.3Low77 Ų77108.9 Ų108.954%0.53862%0.618SS.*Hα-helixtrans-66-28.4175.857.30000113.4A103 V104 C109 S110A103-S107 WeakPolarHBondContact O-CB 3.49Å; A103-S107 PolarHBondContact O-N 3.02Å; A103-S107 PolarHBondContact O-OG 3.39Å; V104-S107 WeakPolarHBondContact CA-OG 3.36Å; V104-S107 PolarHBondContact O-OG 3.07Å; V104-S107 VanDerWaalsContact O-OG 3.12Å; S107-C109 PolarHBondContact O-N 3.34Å; S107-S110 PolarHBondContact O-N 3.2Å; S107-S110 VanDerWaalsContact O-N 3.15Å
108S51.7Low55Low93 Ų93108.1 Ų108.165%0.6563%0.626SS**THydrogen-bonded Turntrans-65.5-17.1172-56.60000113.5V104 L105 S106V104-S108 WeakPolarHBondContact O-CB 3.31Å; V104-S108 PolarHBondContact O-N 3.48Å; V104-S108 PolarHBondContact O-OG 3.11Å; L105-S108 PolarHBondContact O-N 3.32Å; S106-S108 VanDerWaalsContact C-N 3.29Å; S106-S108 PolarHBondContact O-N 3.2Å
109C50Low54.1Low112 Ų112110.6 Ų110.676%0.75765%0.647SS**THydrogen-bonded Turntrans-89.30.2176.5-162.20000113.2S106 S107S106-C109 WeakPolarHBondContact O-CB 3.23Å; S106-C109 PolarHBondContact O-N 2.93Å; S107-C109 PolarHBondContact O-N 3.34Å
110S51.4Low53.1Low95 Ų95114.8 Ų114.866%0.66466%0.664SS**  trans-134.673.7-171.3-60.80000113S107S107-S110 PolarHBondContact O-N 3.2Å; S107-S110 VanDerWaalsContact O-N 3.15Å
111S49.3Very low52.5Low111 Ų111116.7 Ų116.778%0.77668%0.677SS**  trans-94.2103.1172.761.30000112.5
112L38.5Very low51.8Low169 Ų169116.3 Ų116.389%0.88569%0.686SS**  177.6147.1129.1-91.8163.6000111.6
113P56.3Low50.5Low110 Ų110115.6 Ų115.671%0.71470%0.696SS**  trans-109.9-166.7-170.246.8-38.9000112.2
114P62.9Low49.6Very low109 Ų109118.1 Ų118.171%0.70871%0.708SS**  cis-143.6-175.86.242.3-21.8000119
115L39.4Very low48.3Very low145 Ų145123.9 Ų123.976%0.75973%0.726SS**  trans99.2143.5142.7-131.682000120.9
116R37.6Very low47.3Very low207 Ų207127.4 Ų127.478%0.78174%0.744SS**  trans78.9138.1168.9-59.3173.3-173.5170.63.9115.9
117F40.5Very low46.5Very low191 Ų191129.9 Ų129.984%0.83875%0.75SS**  cis-145.9152.9-3.4-108.5-68.9000109.1
118A41.8Very low45.5Very low84 Ų84133.8 Ų133.869%0.69476%0.759SS**  trans-93.6157.4160.800000109.8
119P45.7Very low45.4Very low133 Ų133138.2 Ų138.286%0.86477%0.767SS**  -145.1159.791.536.1-18.7000117.3
120L50.3Low44.5Very low152 Ų152138.8 Ų138.880%0.79676%0.763SS**  trans-67.3167.2165.7-155.645.6000109.1
121P51.9Low44.1Very low115 Ų115142.9 Ų142.975%0.74777%0.768SS**  cis-150.6-15441.248.7-24000116.4
122P52.9Low43.5Very low99 Ų99144.7 Ų144.764%0.64377%0.769SS**  -130.4-175.1-107.437.6-16000115.9
123S39.6Very low43.5Very low110 Ų110142.5 Ų142.577%0.76976%0.758SS**  trans83.4163.3160.497.20000115.7
124P43.4Very low42.8Very low111 Ų111143.2 Ų143.272%0.72176%0.755SS**  cis-110.91501438.1-28.1000116.7
125K35.7Very low42.1Very low203 Ų203140.6 Ų140.688%0.88374%0.737SS**  trans-72.6126.6162.9-61.7166.6179.4173.70108.4L127K125-L127 PolarHBondContact O-N 3.1Å
126I39.6Very low42.1Very low167 Ų167141.2 Ų141.286%0.85674%0.74SS**  trans-89.787167.5-58178.3000108.4
127L42.3Very low42.8Very low134 Ų134132.8 Ų132.870%0.70271%0.71SS**  trans-149.688.3158-16669.8000112K125 K129K125-L127 PolarHBondContact O-N 3.1Å; L127-K129 HydrophobicContact CD1-CB 4.4Å; L127-K129 HydrophobicContact CG-CB 4.41Å
128H35.5Very low43.5Very low160 Ų160131 Ų13174%0.74170%0.699SS**  trans-123.7130.6135.4-84.631000103.5
129K47.7Very low44.2Very low185 Ų185131.6 Ų131.680%0.80470%0.696SS**  cis52.947.614.8-131.1-174.8-170.3-173.80114.8L127L127-K129 HydrophobicContact CD1-CB 4.4Å; L127-K129 HydrophobicContact CG-CB 4.41Å
130D32.3Very low45Very low125 Ų125130.5 Ų130.567%0.66868%0.679SS**  trans-131.3160.9137.2-104.7-41.8000111.3L132D130-L132 PolarHBondContact O-N 3.5Å
131K42Very low45.6Very low181 Ų181126.8 Ų126.879%0.78766%0.655SS**  trans-79.565.7-154.7-165177.4-179.1179.70114.2N133K131-N133 PolarHBondContact O-N 3.41Å
132L38.1Very low46.4Very low149 Ų149123.6 Ų123.678%0.7863%0.631SS**  trans-73.689.9166.7-86.792000111.1D130 L134D130-L132 PolarHBondContact O-N 3.5Å; L132-L134 HydrophobicContact CD2-CB 4.25Å; L132-L134 PolarHBondContact O-N 3.12Å
133N38.6Very low47.2Very low123 Ų123123 Ų12366%0.65863%0.629SS**  trans-73.846.7155.2-76.9-5.3000110.5K131K131-N133 PolarHBondContact O-N 3.41Å
134L41.3Very low48.5Very low125 Ų125124.8 Ų124.865%0.65462%0.619SS**  trans-101.679168.4-136.883.4000107.5L132 I142L132-L134 HydrophobicContact CD2-CB 4.25Å; L132-L134 PolarHBondContact O-N 3.12Å; L134-I142 HydrophobicContact CD2-CD1 4.49Å
135T47.5Very low49.9Very low54 Ų54120 Ų12033%0.33159%0.587SS.*  trans-50.6146.8167.7-53.90000109.3I137 W167T135-I137 VanDerWaalsContact C-N 3.31Å; T135-I137 PolarHBondContact O-N 2.91Å; T135-W167 HydrophobicContact CG2-CB 3.71Å
136L40.3Very low51.6Low157 Ų157115.3 Ų115.382%0.82257%0.571SS**  trans-58.980.8-172.3-74.2155.2000113.5T168L136-T168 WeakPolarHBondContact O-CG2 3.4Å; L136-T168 PolarHBondContact O-OG1 2.82Å
137I51.6Low53.5Low31 Ų31113.9 Ų113.916%0.15956%0.559CS.*  trans-97.4126169.7-55.2169.5000107.6T135 I142 L145 F166 L174T135-I137 VanDerWaalsContact C-N 3.31Å; T135-I137 PolarHBondContact O-N 2.91Å; I137-I142 HydrophobicContact CB-CD1 4.22Å; I137-I142 HydrophobicContact CB-CG1 3.76Å; I137-I142 HydrophobicContact CG2-CD1 4.45Å; I137-I142 HydrophobicContact CG2-CG1 3.5Å; I137-L145 HydrophobicContact CD1-CD2 4.37Å; I137-F166 HydrophobicContact CD1-CB 3.94Å; I137-L174 HydrophobicContact CG1-CD1 4.3Å
138Y54.6Low54.9Low154 Ų154109.1 Ų109.160%0.60453%0.534SS*.  trans-57.6135.5173.8-112.4-86.3000110.1H140 Y141 I142Y138-H140 AromaticContact CD1-CE1 3.33Å; Y138-H140 WeakPolarHBondContact CD1-CE1 3.25Å; Y138-H140 AromaticContact CD1-ND1 3.56Å; Y138-H140 AromaticContact CG-CE1 3.61Å; Y138-H140 PolarHBondContact O-N 2.81Å; Y138-Y141 PolarHBondContact O-N 2.94Å; Y138-I142 PolarHBondContact O-N 2.87Å
139P57.6Low56.8Low96 Ų96102 Ų10262%0.62350%0.501SS*.Hα-helixtrans-58.2-26.3-17017.8-31.8000114.8I142P139-I142 PolarHBondContact O-N 3.08Å
140H63.2Low58.1Low109 Ų10994.6 Ų94.651%0.50548%0.478SS..Hα-helixtrans-73.2-24.4175.860.6-99.7000114.2Y138Y138-H140 AromaticContact CD1-CE1 3.33Å; Y138-H140 WeakPolarHBondContact CD1-CE1 3.25Å; Y138-H140 AromaticContact CD1-ND1 3.56Å; Y138-H140 AromaticContact CG-CE1 3.61Å; Y138-H140 PolarHBondContact O-N 2.81Å
141Y62.6Low60.3Low74 Ų7492.9 Ų92.929%0.2947%0.466SS..Hα-helixtrans-80.2-35.9172.3-72.3-71.3000111.6Y138 S143 R144 L145Y138-Y141 PolarHBondContact O-N 2.94Å; Y141-S143 PolarHBondContact O-N 3.09Å; Y141-R144 PolarHBondContact O-N 2.89Å; Y141-L145 VanDerWaalsContact O-CB 3.23Å; Y141-L145 WeakPolarHBondContact O-CB 3.34Å; Y141-L145 PolarHBondContact O-N 2.86Å
142I68.4Low61.9Low49 Ų4984.4 Ų84.425%0.25143%0.43SS..Hα-helixtrans-54.4-53.3179.5-59.3-179.5000110.7L134 I137 Y138 P139 R144 L145 L146L134-I142 HydrophobicContact CD2-CD1 4.49Å; I137-I142 HydrophobicContact CB-CD1 4.22Å; I137-I142 HydrophobicContact CB-CG1 3.76Å; I137-I142 HydrophobicContact CG2-CD1 4.45Å; I137-I142 HydrophobicContact CG2-CG1 3.5Å; Y138-I142 PolarHBondContact O-N 2.87Å; P139-I142 PolarHBondContact O-N 3.08Å; I142-R144 VanDerWaalsContact C-N 3.29Å; I142-R144 PolarHBondContact O-N 3.34Å; I142-L145 PolarHBondContact O-N 3.05Å; I142-L146 HydrophobicContact CG2-CD1 3.75Å; I142-L146 HydrophobicContact CG2-CG 4.23Å; I142-L146 WeakPolarHBondContact O-CB 3.21Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.3Å
143S69.2Low63.6Low85 Ų8579.8 Ų79.859%0.59441%0.409SS*.Hα-helixtrans-63.9-32.3-177.1-49.70000113.6Y141 K147Y141-S143 PolarHBondContact O-N 3.09Å; S143-K147 WeakPolarHBondContact O-CB 3.32Å; S143-K147 PolarHBondContact O-N 2.99Å
144R67Low65.4Low148 Ų14879.4 Ų79.456%0.55841%0.412SS*.Hα-helixtrans-77.3-37.1178.9-165.1-175.6-74.1-174.7-5.1111.7Y141 I142 I148 L202Y141-R144 PolarHBondContact O-N 2.89Å; I142-R144 VanDerWaalsContact C-N 3.29Å; I142-R144 PolarHBondContact O-N 3.34Å; R144-I148 PolarHBondContact O-N 2.95Å; R144-L202 HydrophobicContact CB-CD1 4.43Å; R144-L202 HydrophobicContact CG-CD1 3.75Å; R144-L202 HydrophobicContact CG-CD2 4.49Å
145L72.4Confident67.1Low11 Ų1175.3 Ų75.36%0.05839%0.39CS..Hα-helixtrans-64.9-52.1175.1-175.365.8000110.9I137 Y141 I142 K147 I148 T149 F166 L174 V203I137-L145 HydrophobicContact CD1-CD2 4.37Å; Y141-L145 VanDerWaalsContact O-CB 3.23Å; Y141-L145 WeakPolarHBondContact O-CB 3.34Å; Y141-L145 PolarHBondContact O-N 2.86Å; I142-L145 PolarHBondContact O-N 3.05Å; L145-K147 PolarHBondContact O-N 3.22Å; L145-I148 PolarHBondContact O-N 3.26Å; L145-I148 VanDerWaalsContact O-N 3.13Å; L145-T149 PolarHBondContact O-N 2.8Å; L145-T149 PolarHBondContact O-OG1 3.37Å; L145-T149 VanDerWaalsContact O-OG1 3.05Å; L145-F166 HydrophobicContact CD1-CD1 4.03Å; L145-F166 HydrophobicContact CD1-CD2 4.3Å; L145-F166 HydrophobicContact CD1-CE1 3.87Å; L145-F166 HydrophobicContact CD1-CE2 4.08Å; L145-F166 HydrophobicContact CD1-CG 4.27Å; L145-F166 HydrophobicContact CD1-CZ 3.88Å; L145-F166 HydrophobicContact CD2-CB 3.84Å; L145-F166 HydrophobicContact CD2-CD1 4.2Å; L145-F166 HydrophobicContact CD2-CD2 3.57Å; L145-F166 HydrophobicContact CD2-CE2 4.07Å; L145-F166 HydrophobicContact CD2-CG 3.63Å; L145-F166 HydrophobicContact CG-CD2 4.11Å; L145-F166 HydrophobicContact CG-CE2 4.09Å; L145-F166 HydrophobicContact CG-CG 4.37Å; L145-F166 HydrophobicContact CG-CZ 4.4Å; L145-L174 HydrophobicContact CD1-CD2 3.76Å; L145-L174 HydrophobicContact CD2-CD2 3.76Å; L145-L174 HydrophobicContact CG-CD2 4.31Å; L145-V203 HydrophobicContact CD1-CG2 4.2Å
146L71.3Confident68.2Low105 Ų10579.6 Ų79.655%0.5541%0.411SS..Hα-helixtrans-57-37.6176-70.7174.5000112.5I142 G150I142-L146 HydrophobicContact CG2-CD1 3.75Å; I142-L146 HydrophobicContact CG2-CG 4.23Å; I142-L146 WeakPolarHBondContact O-CB 3.21Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.3Å; L146-G150 PolarHBondContact O-N 3.08Å
147K80.5Confident69.8Low136 Ų13672.3 Ų72.359%0.59137%0.374SS*.Hα-helixtrans-61.5-50.8175.1178.8174.2172.4175.20111.9S143 L145 G150 E151S143-K147 WeakPolarHBondContact O-CB 3.32Å; S143-K147 PolarHBondContact O-N 2.99Å; L145-K147 PolarHBondContact O-N 3.22Å; K147-G150 PolarHBondContact O-N 3.31Å; K147-E151 WeakPolarHBondContact CE-OE1 3.11Å; K147-E151 IonicContact NZ-OE1 3.93Å; K147-E151 WeakPolarHBondContact O-CG 3.32Å; K147-E151 PolarHBondContact O-N 3.1Å
148I71.7Confident71.2Confident34 Ų3471.6 Ų71.617%0.17437%0.371CS..Hα-helixtrans-72.8-33.3-177.8-80.4156.1000112.1R144 L145 G150 E151 V152 L199 L202R144-I148 PolarHBondContact O-N 2.95Å; L145-I148 PolarHBondContact O-N 3.26Å; L145-I148 VanDerWaalsContact O-N 3.13Å; I148-G150 VanDerWaalsContact C-N 3.33Å; I148-E151 PolarHBondContact O-N 3.24Å; I148-V152 WeakPolarHBondContact O-CB 3.43Å; I148-V152 WeakPolarHBondContact O-CG2 3.2Å; I148-V152 PolarHBondContact O-N 3.3Å; I148-L199 HydrophobicContact CG2-CD1 3.79Å; I148-L199 HydrophobicContact CG2-CG 4.24Å; I148-L202 HydrophobicContact CD1-CD1 3.42Å; I148-L202 VanDerWaalsContact CD1-CD1 3.42Å; I148-L202 HydrophobicContact CD1-CG 4.34Å
149T75.3Confident72.4Confident10 Ų1067.8 Ų67.86%0.06136%0.361CS..Hα-helixtrans-62.6-41.3168.7-53.30000111L145 V152 S153 V161 E164L145-T149 PolarHBondContact O-N 2.8Å; L145-T149 PolarHBondContact O-OG1 3.37Å; L145-T149 VanDerWaalsContact O-OG1 3.05Å; T149-V152 CarbonylContact O-C 3.55Å; T149-V152 PolarHBondContact O-N 2.86Å; T149-S153 PolarHBondContact O-N 3.44Å; T149-V161 HydrophobicContact CG2-CB 4.43Å; T149-V161 HydrophobicContact CG2-CG1 4.25Å; T149-E164 HydrophobicContact CG2-CG 4.33Å; T149-E164 WeakPolarHBondContact CG2-OE1 3.36Å; T149-E164 WeakPolarHBondContact CG2-OE2 3.21Å; T149-E164 PolarHBondContact OG1-OE2 2.92Å
150G74.3Confident73.4Confident31 Ų3165.3 Ų65.332%0.3234%0.341SS..Hα-helixtrans-61.1-45173.500000112.8L146 K147 I148 V152 S153 T154L146-G150 PolarHBondContact O-N 3.08Å; K147-G150 PolarHBondContact O-N 3.31Å; I148-G150 VanDerWaalsContact C-N 3.33Å; G150-V152 VanDerWaalsContact C-N 3.27Å; G150-V152 PolarHBondContact O-N 3.01Å; G150-S153 PolarHBondContact O-N 3.15Å; G150-S153 PolarHBondContact O-OG 2.96Å; G150-T154 PolarHBondContact O-N 2.73Å; G150-T154 PolarHBondContact O-OG1 3.26Å
151E79.4Confident74Confident88 Ų8861.3 Ų61.341%0.41132%0.324SS..Hα-helixtrans-59.6-39.6173-70.5168.8-166.700111.4K147 I148 T154 L155K147-E151 WeakPolarHBondContact CE-OE1 3.11Å; K147-E151 IonicContact NZ-OE1 3.93Å; K147-E151 WeakPolarHBondContact O-CG 3.32Å; K147-E151 PolarHBondContact O-N 3.1Å; I148-E151 PolarHBondContact O-N 3.24Å; E151-T154 PolarHBondContact O-N 2.68Å; E151-T154 PolarHBondContact O-OG1 2.69Å; E151-L155 PolarHBondContact O-N 2.91Å
152V75.4Confident74.3Confident4 Ų464.6 Ų64.62%0.02434%0.336CS..Hα-helixtrans-70-35.6177157.30000113.7I148 T149 G150 T154 L155 V161 V195 R198 L199I148-V152 WeakPolarHBondContact O-CB 3.43Å; I148-V152 WeakPolarHBondContact O-CG2 3.2Å; I148-V152 PolarHBondContact O-N 3.3Å; T149-V152 CarbonylContact O-C 3.55Å; T149-V152 PolarHBondContact O-N 2.86Å; G150-V152 VanDerWaalsContact C-N 3.27Å; G150-V152 PolarHBondContact O-N 3.01Å; V152-T154 PolarHBondContact O-N 3.15Å; V152-L155 HydrophobicContact CB-CD1 4.29Å; V152-L155 HydrophobicContact CG1-CD1 4.45Å; V152-L155 HydrophobicContact CG2-CD1 3.94Å; V152-L155 WeakPolarHBondContact O-CB 3.43Å; V152-L155 PolarHBondContact O-N 3.01Å; V152-V161 HydrophobicContact CG1-CG2 4.07Å; V152-V195 HydrophobicContact CG1-CG1 3.97Å; V152-V195 HydrophobicContact CG1-CG2 3.92Å; V152-R198 HydrophobicContact CG2-CB 3.95Å; V152-R198 HydrophobicContact CG2-CG 4.48Å; V152-L199 HydrophobicContact CB-CD1 4.32Å; V152-L199 HydrophobicContact CG2-CD1 3.51Å
153S74.2Confident73.7Confident51 Ų5168.2 Ų68.236%0.35736%0.356SS..Hα-helixtrans-70-20.3175.671.80000112.6T149 G150T149-S153 PolarHBondContact O-N 3.44Å; G150-S153 PolarHBondContact O-N 3.15Å; G150-S153 PolarHBondContact O-OG 2.96Å
154T75.6Confident74Confident115 Ų11567.7 Ų67.771%0.70634%0.344SS*.THydrogen-bonded Turntrans-91.94.4173.459.50000114.9G150 E151 V152G150-T154 PolarHBondContact O-N 2.73Å; G150-T154 PolarHBondContact O-OG1 3.26Å; E151-T154 PolarHBondContact O-N 2.68Å; E151-T154 PolarHBondContact O-OG1 2.69Å; V152-T154 PolarHBondContact O-N 3.15Å
155L78Confident74.3Confident39 Ų3964.6 Ų64.620%0.20434%0.336CS..SBendtrans-68.2141.8177.1-74.9171000111.7E151 V152 G157 V158 V195E151-L155 PolarHBondContact O-N 2.91Å; V152-L155 HydrophobicContact CB-CD1 4.29Å; V152-L155 HydrophobicContact CG1-CD1 4.45Å; V152-L155 HydrophobicContact CG2-CD1 3.94Å; V152-L155 WeakPolarHBondContact O-CB 3.43Å; V152-L155 PolarHBondContact O-N 3.01Å; L155-G157 PolarHBondContact O-N 2.88Å; L155-V158 HydrophobicContact CB-CG2 3.96Å; L155-V158 WeakPolarHBondContact O-CB 3.33Å; L155-V158 PolarHBondContact O-N 3.45Å; L155-V195 HydrophobicContact CD1-CG2 3.94Å
156D70.1Confident74.6Confident145 Ų14564.9 Ų64.978%0.77534%0.336SS*.THydrogen-bonded Turntrans-59.1129.5177.6-168.317.3000110.9
157G73.6Confident74.6Confident4 Ų464.1 Ų64.14%0.04133%0.326CS..THydrogen-bonded Turntrans90.6-17.9-170.400000116.4L155 I182 R183L155-G157 PolarHBondContact O-N 2.88Å; G157-I182 CarbonylContact O-C 3.52Å; G157-I182 VanDerWaalsContact O-CA 3.31Å; G157-I182 WeakPolarHBondContact O-CA 3.33Å; G157-I182 WeakPolarHBondContact O-CG2 3.29Å; G157-R183 PolarHBondContact O-N 2.67Å
158V81.7Confident74.2Confident16 Ų1660.4 Ų60.410%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-85.2132.9179.1179.60000110.8L155 V161 V180 V191L155-V158 HydrophobicContact CB-CG2 3.96Å; L155-V158 WeakPolarHBondContact O-CB 3.33Å; L155-V158 PolarHBondContact O-N 3.45Å; V158-V161 HydrophobicContact CG1-CG2 4.38Å; V158-V180 HydrophobicContact CB-CG1 4.43Å; V158-V180 HydrophobicContact CG1-CG1 3.74Å; V158-V180 HydrophobicContact CG2-CG1 3.89Å; V158-V191 HydrophobicContact CG2-CG1 3.73Å
159L78.1Confident73.9Confident74 Ų7463.2 Ų63.239%0.38733%0.334SS..EExtended strand (participates in β ladder)trans-102.4-36.7178.9-74.9166000112.9R181 R183 D213L159-R181 HydrophobicContact CB-CG 4.47Å; L159-R181 HydrophobicContact CD1-CG 4.49Å; L159-R181 PolarHBondContact N-O 2.97Å; L159-R183 HydrophobicContact CD1-CB 4.39Å; L159-R183 HydrophobicContact CD1-CG 3.87Å; L159-R183 HydrophobicContact CD2-CG 3.81Å; L159-R183 HydrophobicContact CG-CG 3.64Å; L159-D213 HydrophobicContact CD1-CB 3.62Å
160E79.8Confident73.3Confident44 Ų4464.5 Ų64.521%0.20635%0.349CS..EExtended strand (participates in β ladder)trans-164.9149.1174.252.9-178178.700109.9R162 R181E160-R162 VanDerWaalsContact CD-NH2 3.33Å; E160-R162 HydrophobicContact CG-CG 4.17Å; E160-R162 IonicContact OE1-CZ 3.24Å; E160-R162 IonicContact OE1-NE 3.09Å; E160-R162 PolarHBondContact OE1-NE 3.2Å; E160-R162 IonicContact OE1-NH2 2.71Å; E160-R162 PolarHBondContact OE1-NH2 2.96Å; E160-R162 VanDerWaalsContact OE1-NH2 3.07Å; E160-R162 IonicContact OE2-CZ 3.79Å; E160-R162 IonicContact OE2-NE 3.19Å; E160-R162 PolarHBondContact OE2-NE 3.06Å; E160-R162 IonicContact OE2-NH2 3.16Å; E160-R162 PolarHBondContact OE2-NH2 2.8Å; E160-R181 VanDerWaalsContact CD-NH2 3.31Å; E160-R181 HydrophobicContact CG-CB 3.7Å; E160-R181 PolarHBondContact O-N 2.99Å; E160-R181 IonicContact OE1-CZ 2.68Å; E160-R181 IonicContact OE1-NE 3.36Å; E160-R181 PolarHBondContact OE1-NE 3.2Å; E160-R181 IonicContact OE1-NH2 3.73Å; E160-R181 PolarHBondContact OE1-NH2 2.97Å; E160-R181 IonicContact OE2-NH2 2.67Å
161V75.9Confident72.4Confident25 Ų2569 Ų6915%0.15236%0.36CS..EExtended strand (participates in β ladder)trans-100.2127162.3-171.40000106.6T149 V152 V158 E164 A178 H179 V180T149-V161 HydrophobicContact CG2-CB 4.43Å; T149-V161 HydrophobicContact CG2-CG1 4.25Å; V152-V161 HydrophobicContact CG1-CG2 4.07Å; V158-V161 HydrophobicContact CG1-CG2 4.38Å; V161-E164 HydrophobicContact CG1-CG 3.79Å; V161-E164 WeakPolarHBondContact CG1-OE1 3.37Å; V161-A178 HydrophobicContact CG1-CB 4.35Å; V161-H179 CarbonylContact C-O 3.5Å; V161-H179 WeakPolarHBondContact CA-O 3.4Å; V161-V180 HydrophobicContact CG1-CG2 4.48Å; V161-V180 HydrophobicContact CG2-CG2 4.49Å
162R68.8Low71.7Confident143 Ų14367.3 Ų67.354%0.5437%0.366SS..EExtended strand (participates in β ladder)trans-123.9157.9179.3-75.5-162.8178.4178.714.5110.9E160 E164 H179E160-R162 VanDerWaalsContact CD-NH2 3.33Å; E160-R162 HydrophobicContact CG-CG 4.17Å; E160-R162 IonicContact OE1-CZ 3.24Å; E160-R162 IonicContact OE1-NE 3.09Å; E160-R162 PolarHBondContact OE1-NE 3.2Å; E160-R162 IonicContact OE1-NH2 2.71Å; E160-R162 PolarHBondContact OE1-NH2 2.96Å; E160-R162 VanDerWaalsContact OE1-NH2 3.07Å; E160-R162 IonicContact OE2-CZ 3.79Å; E160-R162 IonicContact OE2-NE 3.19Å; E160-R162 PolarHBondContact OE2-NE 3.06Å; E160-R162 IonicContact OE2-NH2 3.16Å; E160-R162 PolarHBondContact OE2-NH2 2.8Å; R162-E164 VanDerWaalsContact C-N 3.28Å; R162-E164 PolarHBondContact O-N 2.97Å; R162-H179 PolarHBondContact N-O 2.91Å; R162-H179 WeakPolarHBondContact O-CB 3.35Å; R162-H179 PolarHBondContact O-N 3.42Å; R162-H179 VanDerWaalsContact O-O 3.13Å
163N56.2Low71.2Confident125 Ų12568.6 Ų68.667%0.66838%0.375SS*.EExtended strand (participates in β ladder)trans48.951.3172.1-69.624.3000112.2H165 H179N163-H165 PolarHBondContact O-N 3.34Å; N163-H179 VanDerWaalsContact CB-ND1 3.33Å; N163-H179 WeakPolarHBondContact CB-ND1 3.43Å; N163-H179 PolarHBondContact O-ND1 2.87Å
164E75.2Confident71.2Confident73 Ų7366.5 Ų66.534%0.34136%0.36SS..EExtended strand (participates in β ladder)trans-67.8107167.7-74.5168-125.800109.3T149 V161 R162 F166T149-E164 HydrophobicContact CG2-CG 4.33Å; T149-E164 WeakPolarHBondContact CG2-OE1 3.36Å; T149-E164 WeakPolarHBondContact CG2-OE2 3.21Å; T149-E164 PolarHBondContact OG1-OE2 2.92Å; V161-E164 HydrophobicContact CG1-CG 3.79Å; V161-E164 WeakPolarHBondContact CG1-OE1 3.37Å; R162-E164 VanDerWaalsContact C-N 3.28Å; R162-E164 PolarHBondContact O-N 2.97Å; E164-F166 HydrophobicContact CB-CD2 4.03Å; E164-F166 HydrophobicContact CB-CE2 3.65Å; E164-F166 HydrophobicContact CG-CE2 3.82Å; E164-F166 HydrophobicContact CG-CZ 4.44Å
165H73.6Confident71.4Confident83 Ų8361.1 Ų61.138%0.38433%0.327SS..EExtended strand (participates in β ladder)trans-114.9104.8171.3-169.1-100.2000108N163 W167 G176 S177N163-H165 PolarHBondContact O-N 3.34Å; H165-W167 HydrophobicContact CB-CZ3 4.37Å; H165-W167 AromaticContact CE1-CE3 3.69Å; H165-W167 AromaticContact ND1-CE3 3.07Å; H165-W167 AromaticContact ND1-CZ3 3.26Å; H165-W167 VanDerWaalsContact ND1-CZ3 3.26Å; H165-W167 WeakPolarHBondContact ND1-CZ3 3.36Å; H165-W167 VanDerWaalsContact O-CE3 3.25Å; H165-W167 WeakPolarHBondContact O-CZ3 3.23Å; H165-G176 CarbonylContact O-C 3.59Å; H165-G176 WeakPolarHBondContact O-CA 3.46Å; H165-S177 PolarHBondContact N-O 3.39Å; H165-S177 PolarHBondContact O-N 3.5Å
166F78.1Confident71.6Confident17 Ų1759.3 Ų59.38%0.07532%0.318CS..EExtended strand (participates in β ladder)trans-112.4136.9178.2-64.3-76.1000110I137 L145 E164 L174 A175 L199 V203 L206I137-F166 HydrophobicContact CD1-CB 3.94Å; L145-F166 HydrophobicContact CD1-CD1 4.03Å; L145-F166 HydrophobicContact CD1-CD2 4.3Å; L145-F166 HydrophobicContact CD1-CE1 3.87Å; L145-F166 HydrophobicContact CD1-CE2 4.08Å; L145-F166 HydrophobicContact CD1-CG 4.27Å; L145-F166 HydrophobicContact CD1-CZ 3.88Å; L145-F166 HydrophobicContact CD2-CB 3.84Å; L145-F166 HydrophobicContact CD2-CD1 4.2Å; L145-F166 HydrophobicContact CD2-CD2 3.57Å; L145-F166 HydrophobicContact CD2-CE2 4.07Å; L145-F166 HydrophobicContact CD2-CG 3.63Å; L145-F166 HydrophobicContact CG-CD2 4.11Å; L145-F166 HydrophobicContact CG-CE2 4.09Å; L145-F166 HydrophobicContact CG-CG 4.37Å; L145-F166 HydrophobicContact CG-CZ 4.4Å; E164-F166 HydrophobicContact CB-CD2 4.03Å; E164-F166 HydrophobicContact CB-CE2 3.65Å; E164-F166 HydrophobicContact CG-CE2 3.82Å; E164-F166 HydrophobicContact CG-CZ 4.44Å; F166-L174 HydrophobicContact CB-CD1 4.36Å; F166-L174 HydrophobicContact CB-CD2 4.41Å; F166-L174 HydrophobicContact CD1-CD2 4.3Å; F166-A175 WeakPolarHBondContact CA-O 3.26Å; F166-L199 HydrophobicContact CE1-CD2 4.45Å; F166-L199 HydrophobicContact CZ-CD2 4.33Å; F166-V203 HydrophobicContact CD1-CG2 4.29Å; F166-V203 HydrophobicContact CE1-CG2 3.97Å; F166-L206 HydrophobicContact CE1-CD1 4.4Å
167W71.3Confident72.1Confident89 Ų8953.2 Ų53.234%0.33729%0.287SS..EExtended strand (participates in β ladder)trans-143.8144.3-179.663.595.6000111.1T135 H165 A175T135-W167 HydrophobicContact CG2-CB 3.71Å; H165-W167 HydrophobicContact CB-CZ3 4.37Å; H165-W167 AromaticContact CE1-CE3 3.69Å; H165-W167 AromaticContact ND1-CE3 3.07Å; H165-W167 AromaticContact ND1-CZ3 3.26Å; H165-W167 VanDerWaalsContact ND1-CZ3 3.26Å; H165-W167 WeakPolarHBondContact ND1-CZ3 3.36Å; H165-W167 VanDerWaalsContact O-CE3 3.25Å; H165-W167 WeakPolarHBondContact O-CZ3 3.23Å; W167-A175 HydrophobicContact CD2-CB 4.35Å; W167-A175 HydrophobicContact CZ2-CB 4.14Å; W167-A175 PolarHBondContact N-O 3.29Å; W167-A175 PolarHBondContact O-N 3.27Å; W167-A175 VanDerWaalsContact O-O 3.07Å
168T71.5Confident72.7Confident59 Ų5953.2 Ų53.236%0.36229%0.286SS..EExtended strand (participates in β ladder)trans-77.8124.5175.452.90000109.9L136 L174L136-T168 WeakPolarHBondContact O-CG2 3.4Å; L136-T168 PolarHBondContact O-OG1 2.82Å; T168-L174 HydrophobicContact CG2-CD1 4.07Å
169V66.8Low72.8Confident93 Ų9354.3 Ų54.356%0.56429%0.29SS*.EExtended strand (participates in β ladder)trans-95.2-26.5175.9174.50000111.2S173 A175V169-S173 PolarHBondContact N-O 2.86Å; V169-A175 HydrophobicContact CG2-CB 3.43Å; V169-A175 VanDerWaalsContact CG2-CB 3.43Å
170G62.2Low73.3Confident37 Ų3750.8 Ų50.838%0.38127%0.272SS..EExtended strand (participates in β ladder)trans-163.5-179.517400000112.5G172 S173G170-G172 PolarHBondContact O-N 3.49Å; G170-S173 PolarHBondContact N-O 2.78Å; G170-S173 PolarHBondContact O-N 3.05Å
171F55.7Low73.6Confident125 Ų12552 Ų5255%0.54827%0.274SS..THydrogen-bonded Turntrans-57.2113.4175.5-65.1-81.1000110.6P37 F38 S173P37-F171 HydrophobicContact CB-CB 3.79Å; P37-F171 HydrophobicContact CB-CD2 4.01Å; P37-F171 HydrophobicContact CB-CG 4.11Å; P37-F171 HydrophobicContact CG-CD2 3.96Å; F38-F171 HydrophobicContact CD2-CE2 4.4Å; F38-F171 HydrophobicContact CE1-CE1 4.24Å; F38-F171 HydrophobicContact CE1-CE2 4.23Å; F38-F171 AromaticContact CE1-CZ 3.68Å; F38-F171 HydrophobicContact CE1-CZ 3.68Å; F38-F171 HydrophobicContact CE2-CD2 4.27Å; F38-F171 AromaticContact CE2-CE2 3.52Å; F38-F171 HydrophobicContact CE2-CE2 3.52Å; F38-F171 AromaticContact CE2-CZ 3.86Å; F38-F171 HydrophobicContact CE2-CZ 3.86Å; F38-F171 HydrophobicContact CZ-CD2 4.48Å; F38-F171 HydrophobicContact CZ-CE1 4.22Å; F38-F171 AromaticContact CZ-CE2 3.43Å; F38-F171 HydrophobicContact CZ-CE2 3.43Å; F38-F171 VanDerWaalsContact CZ-CE2 3.43Å; F38-F171 AromaticContact CZ-CZ 3.27Å; F38-F171 HydrophobicContact CZ-CZ 3.27Å; F171-S173 VanDerWaalsContact C-N 3.27Å; F171-S173 PolarHBondContact O-N 2.9Å
172G64.9Low74.3Confident52 Ų5250.8 Ų50.854%0.53627%0.267SS..THydrogen-bonded Turntrans74.37.1-178.300000115.9G170G170-G172 PolarHBondContact O-N 3.49Å
173S63.7Low74.9Confident32 Ų3248.9 Ų48.922%0.22426%0.26CS..EExtended strand (participates in β ladder)trans-118.8111.4-179.4165.30000110.5V169 G170 F171 T204V169-S173 PolarHBondContact N-O 2.86Å; G170-S173 PolarHBondContact N-O 2.78Å; G170-S173 PolarHBondContact O-N 3.05Å; F171-S173 VanDerWaalsContact C-N 3.27Å; F171-S173 PolarHBondContact O-N 2.9Å; S173-T204 PolarHBondContact OG-OG1 2.78Å
174L75.1Confident76Confident7 Ų749.3 Ų49.34%0.03725%0.252CS..EExtended strand (participates in β ladder)trans-98.2136.5173.8-16871.4000109.2I137 L145 F166 T168 V203 T204I137-L174 HydrophobicContact CG1-CD1 4.3Å; L145-L174 HydrophobicContact CD1-CD2 3.76Å; L145-L174 HydrophobicContact CD2-CD2 3.76Å; L145-L174 HydrophobicContact CG-CD2 4.31Å; F166-L174 HydrophobicContact CB-CD1 4.36Å; F166-L174 HydrophobicContact CB-CD2 4.41Å; F166-L174 HydrophobicContact CD1-CD2 4.3Å; T168-L174 HydrophobicContact CG2-CD1 4.07Å; L174-V203 HydrophobicContact CD2-CG2 4.16Å; L174-V203 CarbonylContact O-C 3.56Å; L174-V203 VanDerWaalsContact O-CA 3.31Å; L174-V203 WeakPolarHBondContact O-CA 3.38Å; L174-V203 WeakPolarHBondContact O-CG1 3.5Å; L174-T204 PolarHBondContact O-N 2.71Å; L174-T204 PolarHBondContact O-OG1 2.8Å; L174-T204 VanDerWaalsContact O-OG1 3.12Å
175A80Confident76.3Confident2 Ų251.2 Ų51.22%0.01727%0.265CS..EExtended strand (participates in β ladder)trans-113.7160.4164.900000109.5F166 W167 V169 T205F166-A175 WeakPolarHBondContact CA-O 3.26Å; W167-A175 HydrophobicContact CD2-CB 4.35Å; W167-A175 HydrophobicContact CZ2-CB 4.14Å; W167-A175 PolarHBondContact N-O 3.29Å; W167-A175 PolarHBondContact O-N 3.27Å; W167-A175 VanDerWaalsContact O-O 3.07Å; V169-A175 HydrophobicContact CG2-CB 3.43Å; V169-A175 VanDerWaalsContact CG2-CB 3.43Å; A175-T205 CarbonylContact C-O 3.41Å; A175-T205 VanDerWaalsContact CA-O 3.23Å; A175-T205 WeakPolarHBondContact CA-O 3.46Å; A175-T205 WeakPolarHBondContact CB-O 3.45Å
176G81.9Confident76.9Confident0 Ų048.1 Ų48.10%025%0.254CS..EExtended strand (participates in β ladder)trans-170.5160.5174.600000115.2H165 T205 L206 T207H165-G176 CarbonylContact O-C 3.59Å; H165-G176 WeakPolarHBondContact O-CA 3.46Å; G176-T205 PolarHBondContact N-O 2.95Å; G176-L206 WeakPolarHBondContact O-CA 3.49Å; G176-T207 PolarHBondContact O-N 2.81Å
177S80.6Confident77.2Confident18 Ų1851.8 Ų51.813%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-116135.2168.2-167.90000109.3H165 T207H165-S177 PolarHBondContact N-O 3.39Å; H165-S177 PolarHBondContact O-N 3.5Å; S177-T207 WeakPolarHBondContact CA-O 3.02Å; S177-T207 WeakPolarHBondContact CA-OG1 3.4Å; S177-T207 VanDerWaalsContact CB-OG1 3.23Å; S177-T207 WeakPolarHBondContact CB-OG1 3.44Å; S177-T207 PolarHBondContact OG-O 3.23Å; S177-T207 PolarHBondContact OG-OG1 2.9Å; S177-T207 VanDerWaalsContact OG-OG1 3.07Å
178A84.7Confident77.9Confident3 Ų351.4 Ų51.43%0.02528%0.276CS..EExtended strand (participates in β ladder)trans-135.2138176.400000109.4V161 T207 V208 Q209V161-A178 HydrophobicContact CG1-CB 4.35Å; A178-T207 PolarHBondContact N-O 3.29Å; A178-T207 VanDerWaalsContact N-O 3.09Å; A178-V208 WeakPolarHBondContact O-CA 3.43Å; A178-Q209 PolarHBondContact O-N 3.24Å
179H85.5Confident78.7Confident39 Ų3956 Ų5618%0.18129%0.293CS..EExtended strand (participates in β ladder)trans-108.7120.6177.4-5276.9000108.2V161 R162 N163 Q209 F211V161-H179 CarbonylContact C-O 3.5Å; V161-H179 WeakPolarHBondContact CA-O 3.4Å; R162-H179 PolarHBondContact N-O 2.91Å; R162-H179 WeakPolarHBondContact O-CB 3.35Å; R162-H179 PolarHBondContact O-N 3.42Å; R162-H179 VanDerWaalsContact O-O 3.13Å; N163-H179 VanDerWaalsContact CB-ND1 3.33Å; N163-H179 WeakPolarHBondContact CB-ND1 3.43Å; N163-H179 PolarHBondContact O-ND1 2.87Å; H179-Q209 CarbonylContact C-O 3.41Å; H179-Q209 WeakPolarHBondContact CA-O 3.38Å; H179-Q209 PolarHBondContact CD2-OE1 3.13Å; H179-Q209 VanDerWaalsContact CD2-OE1 3.23Å; H179-Q209 PolarHBondContact NE2-OE1 3.26Å; H179-F211 HydrophobicContact CB-CD2 4.37Å; H179-F211 HydrophobicContact CB-CE2 4.08Å; H179-F211 AromaticContact CD2-CE2 3.81Å
180V87.8Confident79.7Confident1 Ų156.8 Ų56.81%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-110.9118.1-174.9-1760000108.5V158 V161 I182 V195 V208 Q209 I210 F211V158-V180 HydrophobicContact CB-CG1 4.43Å; V158-V180 HydrophobicContact CG1-CG1 3.74Å; V158-V180 HydrophobicContact CG2-CG1 3.89Å; V161-V180 HydrophobicContact CG1-CG2 4.48Å; V161-V180 HydrophobicContact CG2-CG2 4.49Å; V180-I182 HydrophobicContact CG1-CD1 4.41Å; V180-I182 HydrophobicContact CG1-CG1 3.95Å; V180-V195 HydrophobicContact CG2-CG1 4.41Å; V180-V208 HydrophobicContact CG2-CG1 3.83Å; V180-Q209 PolarHBondContact N-O 2.84Å; V180-I210 WeakPolarHBondContact O-CA 3.31Å; V180-F211 PolarHBondContact O-N 3.23Å
181R86.8Confident80.8Confident68 Ų6855.4 Ų55.426%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-87.1131170.4-173.1170.556.6102.49.3109.5L159 E160 F211 D213L159-R181 HydrophobicContact CB-CG 4.47Å; L159-R181 HydrophobicContact CD1-CG 4.49Å; L159-R181 PolarHBondContact N-O 2.97Å; E160-R181 VanDerWaalsContact CD-NH2 3.31Å; E160-R181 HydrophobicContact CG-CB 3.7Å; E160-R181 PolarHBondContact O-N 2.99Å; E160-R181 IonicContact OE1-CZ 2.68Å; E160-R181 IonicContact OE1-NE 3.36Å; E160-R181 PolarHBondContact OE1-NE 3.2Å; E160-R181 IonicContact OE1-NH2 3.73Å; E160-R181 PolarHBondContact OE1-NH2 2.97Å; E160-R181 IonicContact OE2-NH2 2.67Å; R181-F211 CarbonylContact C-O 3.53Å; R181-F211 VanDerWaalsContact CA-O 3.28Å; R181-F211 WeakPolarHBondContact CA-O 3.45Å; R181-D213 HydrophobicContact CG-CB 4.41Å; R181-D213 IonicContact CZ-OD1 3.84Å; R181-D213 IonicContact NH1-OD1 3.66Å; R181-D213 PolarHBondContact NH1-OD1 3.31Å
182I89.7Confident82.3Confident0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-121.3145.4-171.9-59.9-172.7000110G157 V180 A186 V191 I210 F211 D213G157-I182 CarbonylContact O-C 3.52Å; G157-I182 VanDerWaalsContact O-CA 3.31Å; G157-I182 WeakPolarHBondContact O-CA 3.33Å; G157-I182 WeakPolarHBondContact O-CG2 3.29Å; V180-I182 HydrophobicContact CG1-CD1 4.41Å; V180-I182 HydrophobicContact CG1-CG1 3.95Å; I182-A186 HydrophobicContact CG2-CB 3.64Å; I182-V191 HydrophobicContact CD1-CB 3.67Å; I182-V191 HydrophobicContact CD1-CG1 3.45Å; I182-V191 VanDerWaalsContact CD1-CG1 3.45Å; I182-V191 HydrophobicContact CD1-CG2 4.28Å; I182-V191 HydrophobicContact CG1-CG1 4.23Å; I182-V191 HydrophobicContact CG2-CG2 4.5Å; I182-I210 HydrophobicContact CD1-CB 4.3Å; I182-I210 HydrophobicContact CD1-CD1 3.72Å; I182-I210 HydrophobicContact CD1-CG1 3.84Å; I182-I210 HydrophobicContact CD1-CG2 3.54Å; I182-I210 HydrophobicContact CG1-CG2 4.1Å; I182-F211 PolarHBondContact N-O 3.09Å; I182-D213 PolarHBondContact O-N 3.14Å
183R82.1Confident83.3Confident104 Ų10452.4 Ų52.439%0.39226%0.261SS..  trans-60.7153173.9-63.517345.3161.1-3.4112G157 L159 D185 A186G157-R183 PolarHBondContact O-N 2.67Å; L159-R183 HydrophobicContact CD1-CB 4.39Å; L159-R183 HydrophobicContact CD1-CG 3.87Å; L159-R183 HydrophobicContact CD2-CG 3.81Å; L159-R183 HydrophobicContact CG-CG 3.64Å; R183-D185 WeakPolarHBondContact CB-OD1 3.25Å; R183-D185 IonicContact CZ-OD1 3.6Å; R183-D185 IonicContact CZ-OD2 3.48Å; R183-D185 IonicContact NE-OD1 2.93Å; R183-D185 PolarHBondContact NE-OD1 2.78Å; R183-D185 IonicContact NE-OD2 3.61Å; R183-D185 IonicContact NH2-OD1 3.43Å; R183-D185 PolarHBondContact NH2-OD1 2.96Å; R183-D185 IonicContact NH2-OD2 2.68Å; R183-D185 PolarHBondContact NH2-OD2 2.79Å; R183-D185 PolarHBondContact O-N 3.24Å; R183-A186 HydrophobicContact CB-CB 4.48Å; R183-A186 PolarHBondContact O-N 2.71Å
184R79.6Confident84.4Confident134 Ų13454 Ų5451%0.50627%0.265SS..THydrogen-bonded Turntrans-64.2-27.2-178.4-67.4175-125138.811.7114K212 D213 W215R184-K212 WeakPolarHBondContact O-CE 3.49Å; R184-D213 VanDerWaalsContact CD-O 3.25Å; R184-D213 WeakPolarHBondContact CD-O 3.44Å; R184-D213 HydrophobicContact CG-CB 4.48Å; R184-D213 WeakPolarHBondContact CG-O 2.9Å; R184-D213 IonicContact CZ-OD2 2.79Å; R184-D213 PolarHBondContact NE-O 3.38Å; R184-D213 IonicContact NE-OD2 3.17Å; R184-D213 IonicContact NH2-OD2 2.71Å; R184-D213 PolarHBondContact NH2-OD2 3.07Å; R184-D213 VanDerWaalsContact NH2-OD2 3.09Å; R184-W215 VanDerWaalsContact CZ-CD1 3.48Å
185D81.6Confident84.8Confident113 Ų11353.9 Ų53.960%0.60427%0.265SS*.THydrogen-bonded Turntrans-90.8-10.5-177.957.5-37.8000114.2R183R183-D185 WeakPolarHBondContact CB-OD1 3.25Å; R183-D185 IonicContact CZ-OD1 3.6Å; R183-D185 IonicContact CZ-OD2 3.48Å; R183-D185 IonicContact NE-OD1 2.93Å; R183-D185 PolarHBondContact NE-OD1 2.78Å; R183-D185 IonicContact NE-OD2 3.61Å; R183-D185 IonicContact NH2-OD1 3.43Å; R183-D185 PolarHBondContact NH2-OD1 2.96Å; R183-D185 IonicContact NH2-OD2 2.68Å; R183-D185 PolarHBondContact NH2-OD2 2.79Å; R183-D185 PolarHBondContact O-N 3.24Å
186A84.6Confident85.1Confident18 Ų1855.6 Ų55.615%0.14928%0.275CS..SBendtrans-85.8148.2-179.900000112.8I182 R183 E188 V191I182-A186 HydrophobicContact CG2-CB 3.64Å; R183-A186 HydrophobicContact CB-CB 4.48Å; R183-A186 PolarHBondContact O-N 2.71Å; A186-E188 PolarHBondContact O-N 3.16Å; A186-V191 HydrophobicContact CB-CG2 4.44Å
187N85.3Confident85.3Confident94 Ų9460.9 Ų60.950%0.50330%0.303SS..  trans-80.7109.6176.5-179.7-13.5000110.7Q189 L190 V191N187-Q189 VanDerWaalsContact C-N 3.31Å; N187-Q189 PolarHBondContact O-N 3.38Å; N187-Q189 PolarHBondContact OD1-N 3.04Å; N187-L190 HydrophobicContact CB-CB 3.99Å; N187-L190 PolarHBondContact O-N 2.96Å; N187-L190 VanDerWaalsContact O-N 3.16Å; N187-L190 PolarHBondContact OD1-N 3.48Å; N187-V191 WeakPolarHBondContact O-CG2 3.23Å; N187-V191 PolarHBondContact O-N 3.47Å
188E86.6Confident85.3Confident80 Ų8066.4 Ų66.437%0.37432%0.321SS..Hα-helixtrans-53.6-41.5-179-67.3157.5-132.200113.3A186 L192 I210 K212A186-E188 PolarHBondContact O-N 3.16Å; E188-L192 VanDerWaalsContact O-CB 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.01Å; E188-I210 HydrophobicContact CB-CG2 4.33Å; E188-I210 HydrophobicContact CG-CG2 4.08Å; E188-I210 WeakPolarHBondContact O-CD1 3.45Å; E188-K212 WeakPolarHBondContact OE1-CD 3.19Å; E188-K212 WeakPolarHBondContact OE1-CE 3.28Å; E188-K212 IonicContact OE1-NZ 2.78Å; E188-K212 PolarHBondContact OE1-NZ 3.4Å
189Q88.6Confident85.1Confident156 Ų15666.6 Ų66.673%0.72932%0.322SS*.Hα-helixtrans-71.4-36.4-179.2-68.1-172.8-18.800112.4N187 A193N187-Q189 VanDerWaalsContact C-N 3.31Å; N187-Q189 PolarHBondContact O-N 3.38Å; N187-Q189 PolarHBondContact OD1-N 3.04Å; Q189-A193 WeakPolarHBondContact O-CB 3.5Å; Q189-A193 PolarHBondContact O-N 3.16Å
190L86.9Confident84.8Confident110 Ų11068.8 Ų68.858%0.57634%0.335SS*.Hα-helixtrans-67.2-46.8177-171.5159000110.3N187 A193 H194N187-L190 HydrophobicContact CB-CB 3.99Å; N187-L190 PolarHBondContact O-N 2.96Å; N187-L190 VanDerWaalsContact O-N 3.16Å; N187-L190 PolarHBondContact OD1-N 3.48Å; L190-A193 PolarHBondContact O-N 3.03Å; L190-H194 WeakPolarHBondContact O-CB 3.48Å; L190-H194 PolarHBondContact O-N 2.86Å
191V85.4Confident84.4Confident7 Ų773.5 Ų73.54%0.04237%0.365CS..Hα-helixtrans-65.3-42177-179.70000110.6V158 I182 A186 N187 A193 H194 V195V158-V191 HydrophobicContact CG2-CG1 3.73Å; I182-V191 HydrophobicContact CD1-CB 3.67Å; I182-V191 HydrophobicContact CD1-CG1 3.45Å; I182-V191 VanDerWaalsContact CD1-CG1 3.45Å; I182-V191 HydrophobicContact CD1-CG2 4.28Å; I182-V191 HydrophobicContact CG1-CG1 4.23Å; I182-V191 HydrophobicContact CG2-CG2 4.5Å; A186-V191 HydrophobicContact CB-CG2 4.44Å; N187-V191 WeakPolarHBondContact O-CG2 3.23Å; N187-V191 PolarHBondContact O-N 3.47Å; V191-A193 VanDerWaalsContact C-N 3.35Å; V191-A193 PolarHBondContact O-N 3.28Å; V191-H194 PolarHBondContact O-N 3.5Å; V191-V195 HydrophobicContact CG1-CG2 3.95Å; V191-V195 WeakPolarHBondContact O-CB 3.14Å; V191-V195 VanDerWaalsContact O-CG2 3.27Å; V191-V195 WeakPolarHBondContact O-CG2 3.11Å; V191-V195 PolarHBondContact O-N 3.41Å
192L87.8Confident83.7Confident66 Ų6671.9 Ų71.935%0.34636%0.362SS..Hα-helixtrans-55.1-49.8174.6-174.856.9000111.9E188 H194 T196 V208 I210E188-L192 VanDerWaalsContact O-CB 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.01Å; L192-H194 VanDerWaalsContact C-N 3.35Å; L192-H194 PolarHBondContact O-N 3.19Å; L192-T196 WeakPolarHBondContact O-CB 3.38Å; L192-T196 PolarHBondContact O-N 3.37Å; L192-T196 PolarHBondContact O-OG1 3.16Å; L192-V208 HydrophobicContact CD1-CB 3.75Å; L192-V208 HydrophobicContact CD1-CG1 3.91Å; L192-I210 HydrophobicContact CB-CD1 3.5Å; L192-I210 VanDerWaalsContact CB-CD1 3.5Å; L192-I210 HydrophobicContact CD1-CD1 3.78Å; L192-I210 HydrophobicContact CD1-CG1 4.43Å; L192-I210 HydrophobicContact CG-CD1 4.11Å
193A86.1Confident83.1Confident48 Ų4871.9 Ų71.940%0.39736%0.362SS..Hα-helixtrans-62.6-42.3178.800000111.3Q189 L190 V191 N197Q189-A193 WeakPolarHBondContact O-CB 3.5Å; Q189-A193 PolarHBondContact O-N 3.16Å; L190-A193 PolarHBondContact O-N 3.03Å; V191-A193 VanDerWaalsContact C-N 3.35Å; V191-A193 PolarHBondContact O-N 3.28Å; A193-N197 VanDerWaalsContact O-CB 3.27Å; A193-N197 WeakPolarHBondContact O-CB 3.27Å; A193-N197 PolarHBondContact O-N 3.1Å; A193-N197 PolarHBondContact O-ND2 3.06Å; A193-N197 VanDerWaalsContact O-ND2 3.16Å
194H84.9Confident82.8Confident67 Ų6770.7 Ų70.731%0.3137%0.366SS..Hα-helixtrans-66.7-48179.2-154.5102.9000112.1L190 V191 L192 T196 N197 R198L190-H194 WeakPolarHBondContact O-CB 3.48Å; L190-H194 PolarHBondContact O-N 2.86Å; V191-H194 PolarHBondContact O-N 3.5Å; L192-H194 VanDerWaalsContact C-N 3.35Å; L192-H194 PolarHBondContact O-N 3.19Å; H194-T196 PolarHBondContact O-N 2.84Å; H194-N197 PolarHBondContact O-N 3.22Å; H194-R198 PolarHBondContact NE2-NE 3.37Å; H194-R198 VanDerWaalsContact NE2-NE 3.14Å; H194-R198 PolarHBondContact NE2-NH2 2.94Å; H194-R198 VanDerWaalsContact O-CG 3.27Å; H194-R198 WeakPolarHBondContact O-CG 3.35Å; H194-R198 PolarHBondContact O-N 3.19Å; H194-R198 VanDerWaalsContact O-N 3.1Å
195V85Confident82.7Confident3 Ų368.3 Ų68.32%0.01837%0.366CS..Hα-helixtrans-59.1-48.1176.7172.30000110.6V152 L155 V180 V191 N197 R198 L199 V208V152-V195 HydrophobicContact CG1-CG1 3.97Å; V152-V195 HydrophobicContact CG1-CG2 3.92Å; L155-V195 HydrophobicContact CD1-CG2 3.94Å; V180-V195 HydrophobicContact CG2-CG1 4.41Å; V191-V195 HydrophobicContact CG1-CG2 3.95Å; V191-V195 WeakPolarHBondContact O-CB 3.14Å; V191-V195 VanDerWaalsContact O-CG2 3.27Å; V191-V195 WeakPolarHBondContact O-CG2 3.11Å; V191-V195 PolarHBondContact O-N 3.41Å; V195-N197 PolarHBondContact O-N 3.48Å; V195-R198 PolarHBondContact O-N 3.31Å; V195-R198 VanDerWaalsContact O-N 3.16Å; V195-L199 HydrophobicContact CG1-CD1 4.33Å; V195-L199 WeakPolarHBondContact O-CD1 3.46Å; V195-L199 PolarHBondContact O-N 2.92Å; V195-V208 HydrophobicContact CG1-CG1 4.18Å; V195-V208 HydrophobicContact CG1-CG2 4.13Å
196T85.1Confident82.6Confident38 Ų3864.4 Ų64.423%0.23335%0.345CS..Hα-helixtrans-62-46.3-179.1-55.70000111L192 H194 R198 L199 L200L192-T196 WeakPolarHBondContact O-CB 3.38Å; L192-T196 PolarHBondContact O-N 3.37Å; L192-T196 PolarHBondContact O-OG1 3.16Å; H194-T196 PolarHBondContact O-N 2.84Å; T196-R198 PolarHBondContact O-N 3.27Å; T196-L199 PolarHBondContact O-N 3.25Å; T196-L200 HydrophobicContact CG2-CD1 3.77Å; T196-L200 HydrophobicContact CG2-CG 3.9Å; T196-L200 WeakPolarHBondContact O-CB 3.49Å; T196-L200 VanDerWaalsContact O-CG 3.23Å; T196-L200 WeakPolarHBondContact O-CG 3.27Å; T196-L200 PolarHBondContact O-N 2.9Å
197N85.8Confident82.6Confident112 Ų11267 Ų6760%0.59936%0.36SS*.Hα-helixtrans-62.9-26.6177.1-74.7-24.8000113.7A193 H194 V195 P201A193-N197 VanDerWaalsContact O-CB 3.27Å; A193-N197 WeakPolarHBondContact O-CB 3.27Å; A193-N197 PolarHBondContact O-N 3.1Å; A193-N197 PolarHBondContact O-ND2 3.06Å; A193-N197 VanDerWaalsContact O-ND2 3.16Å; H194-N197 PolarHBondContact O-N 3.22Å; V195-N197 PolarHBondContact O-N 3.48Å; N197-P201 WeakPolarHBondContact O-CD 3.47Å
198R81.8Confident82.6Confident134 Ų13463.8 Ų63.851%0.50634%0.343SS..Hα-helixtrans-80.7-33175.7-66.7-66.9179-174.62.2113.2V152 H194 V195 T196 P201V152-R198 HydrophobicContact CG2-CB 3.95Å; V152-R198 HydrophobicContact CG2-CG 4.48Å; H194-R198 PolarHBondContact NE2-NE 3.37Å; H194-R198 VanDerWaalsContact NE2-NE 3.14Å; H194-R198 PolarHBondContact NE2-NH2 2.94Å; H194-R198 VanDerWaalsContact O-CG 3.27Å; H194-R198 WeakPolarHBondContact O-CG 3.35Å; H194-R198 PolarHBondContact O-N 3.19Å; H194-R198 VanDerWaalsContact O-N 3.1Å; V195-R198 PolarHBondContact O-N 3.31Å; V195-R198 VanDerWaalsContact O-N 3.16Å; T196-R198 PolarHBondContact O-N 3.27Å; R198-P201 WeakPolarHBondContact O-CD 3.43Å
199L79.6Confident82.6Confident6 Ų664.5 Ų64.53%0.03135%0.347CS..Hα-helixtrans-91-30.1-177.9-88.369.8000113.8I148 V152 F166 V195 T196 P201 L202 V203 L206I148-L199 HydrophobicContact CG2-CD1 3.79Å; I148-L199 HydrophobicContact CG2-CG 4.24Å; V152-L199 HydrophobicContact CB-CD1 4.32Å; V152-L199 HydrophobicContact CG2-CD1 3.51Å; F166-L199 HydrophobicContact CE1-CD2 4.45Å; F166-L199 HydrophobicContact CZ-CD2 4.33Å; V195-L199 HydrophobicContact CG1-CD1 4.33Å; V195-L199 WeakPolarHBondContact O-CD1 3.46Å; V195-L199 PolarHBondContact O-N 2.92Å; T196-L199 PolarHBondContact O-N 3.25Å; L199-P201 VanDerWaalsContact C-N 3.32Å; L199-L202 PolarHBondContact O-N 3.24Å; L199-V203 HydrophobicContact CB-CG2 4.42Å; L199-V203 PolarHBondContact O-N 3.38Å; L199-L206 HydrophobicContact CB-CD1 4.31Å; L199-L206 HydrophobicContact CB-CD2 3.48Å; L199-L206 VanDerWaalsContact CB-CD2 3.48Å; L199-L206 HydrophobicContact CD2-CD1 3.64Å; L199-L206 HydrophobicContact CD2-CD2 3.98Å; L199-L206 HydrophobicContact CD2-CG 4.47Å; L199-L206 HydrophobicContact CG-CD2 4.36Å
200L80.5Confident82.4Confident86 Ų8659.1 Ų59.145%0.4532%0.322SS..THydrogen-bonded Turntrans-50.3-36178.5-84173.1000115.7T196 L202T196-L200 HydrophobicContact CG2-CD1 3.77Å; T196-L200 HydrophobicContact CG2-CG 3.9Å; T196-L200 WeakPolarHBondContact O-CB 3.49Å; T196-L200 VanDerWaalsContact O-CG 3.23Å; T196-L200 WeakPolarHBondContact O-CG 3.27Å; T196-L200 PolarHBondContact O-N 2.9Å; L200-L202 PolarHBondContact O-N 3.2Å; L200-L202 VanDerWaalsContact O-N 3.1Å
201P79.5Confident82.3Confident100 Ų10059.2 Ų59.265%0.64932%0.318SS*.THydrogen-bonded Turntrans-64.1-11.5177-24.335.6000115.2N197 R198 L199N197-P201 WeakPolarHBondContact O-CD 3.47Å; R198-P201 WeakPolarHBondContact O-CD 3.43Å; L199-P201 VanDerWaalsContact C-N 3.32Å
202L72.1Confident82.3Confident34 Ų3462.5 Ų62.518%0.17833%0.332CS..THydrogen-bonded Turntrans-125.3-33.4178.1-64.2178.8000113.4R144 I148 L199 L200R144-L202 HydrophobicContact CB-CD1 4.43Å; R144-L202 HydrophobicContact CG-CD1 3.75Å; R144-L202 HydrophobicContact CG-CD2 4.49Å; I148-L202 HydrophobicContact CD1-CD1 3.42Å; I148-L202 VanDerWaalsContact CD1-CD1 3.42Å; I148-L202 HydrophobicContact CD1-CG 4.34Å; L199-L202 PolarHBondContact O-N 3.24Å; L200-L202 PolarHBondContact O-N 3.2Å; L200-L202 VanDerWaalsContact O-N 3.1Å
203V76.6Confident81.9Confident0 Ų061 Ų610%032%0.324CS..EExtended strand (participates in β ladder)trans-105.3100.7-177.6-168.70000108.7L145 F166 L174 L199 T205 L206L145-V203 HydrophobicContact CD1-CG2 4.2Å; F166-V203 HydrophobicContact CD1-CG2 4.29Å; F166-V203 HydrophobicContact CE1-CG2 3.97Å; L174-V203 HydrophobicContact CD2-CG2 4.16Å; L174-V203 CarbonylContact O-C 3.56Å; L174-V203 VanDerWaalsContact O-CA 3.31Å; L174-V203 WeakPolarHBondContact O-CA 3.38Å; L174-V203 WeakPolarHBondContact O-CG1 3.5Å; L199-V203 HydrophobicContact CB-CG2 4.42Å; L199-V203 PolarHBondContact O-N 3.38Å; V203-T205 WeakPolarHBondContact CG1-O 3.27Å; V203-T205 PolarHBondContact O-N 2.84Å; V203-L206 HydrophobicContact CB-CB 4.22Å; V203-L206 HydrophobicContact CB-CD1 4.19Å; V203-L206 HydrophobicContact CG1-CB 3.84Å; V203-L206 HydrophobicContact CG1-CD1 3.85Å; V203-L206 HydrophobicContact CG1-CG 4.46Å; V203-L206 HydrophobicContact CG2-CD1 4.4Å
204T75.7Confident81Confident79 Ų7964 Ų6449%0.48533%0.334SS..EExtended strand (participates in β ladder)trans-68.1-23.4-177.853.30000113.2S173 L174S173-T204 PolarHBondContact OG-OG1 2.78Å; L174-T204 PolarHBondContact O-N 2.71Å; L174-T204 PolarHBondContact O-OG1 2.8Å; L174-T204 VanDerWaalsContact O-OG1 3.12Å
205T76.6Confident79.6Confident84 Ų8469.7 Ų69.752%0.51535%0.353SS..EExtended strand (participates in β ladder)trans-137.495.4176.5-49.70000108.8A175 G176 V203A175-T205 CarbonylContact C-O 3.41Å; A175-T205 VanDerWaalsContact CA-O 3.23Å; A175-T205 WeakPolarHBondContact CA-O 3.46Å; A175-T205 WeakPolarHBondContact CB-O 3.45Å; G176-T205 PolarHBondContact N-O 2.95Å; V203-T205 WeakPolarHBondContact CG1-O 3.27Å; V203-T205 PolarHBondContact O-N 2.84Å
206L80.9Confident77.9Confident30 Ų3074.2 Ų74.216%0.15738%0.38CS..EExtended strand (participates in β ladder)trans-111.4127.6-175.3-177.473.3000110.9F166 G176 L199 V203 V208F166-L206 HydrophobicContact CE1-CD1 4.4Å; G176-L206 WeakPolarHBondContact O-CA 3.49Å; L199-L206 HydrophobicContact CB-CD1 4.31Å; L199-L206 HydrophobicContact CB-CD2 3.48Å; L199-L206 VanDerWaalsContact CB-CD2 3.48Å; L199-L206 HydrophobicContact CD2-CD1 3.64Å; L199-L206 HydrophobicContact CD2-CD2 3.98Å; L199-L206 HydrophobicContact CD2-CG 4.47Å; L199-L206 HydrophobicContact CG-CD2 4.36Å; V203-L206 HydrophobicContact CB-CB 4.22Å; V203-L206 HydrophobicContact CB-CD1 4.19Å; V203-L206 HydrophobicContact CG1-CB 3.84Å; V203-L206 HydrophobicContact CG1-CD1 3.85Å; V203-L206 HydrophobicContact CG1-CG 4.46Å; V203-L206 HydrophobicContact CG2-CD1 4.4Å; L206-V208 HydrophobicContact CD1-CG2 4.35Å; L206-V208 HydrophobicContact CD2-CG2 3.45Å; L206-V208 VanDerWaalsContact CD2-CG2 3.45Å; L206-V208 HydrophobicContact CG-CG2 3.69Å
207T83.1Confident76.2Confident74 Ų7483.2 Ų83.245%0.45441%0.41SS..EExtended strand (participates in β ladder)trans-111.1103.9167.656.10000109.9G176 S177 A178G176-T207 PolarHBondContact O-N 2.81Å; S177-T207 WeakPolarHBondContact CA-O 3.02Å; S177-T207 WeakPolarHBondContact CA-OG1 3.4Å; S177-T207 VanDerWaalsContact CB-OG1 3.23Å; S177-T207 WeakPolarHBondContact CB-OG1 3.44Å; S177-T207 PolarHBondContact OG-O 3.23Å; S177-T207 PolarHBondContact OG-OG1 2.9Å; S177-T207 VanDerWaalsContact OG-OG1 3.07Å; A178-T207 PolarHBondContact N-O 3.29Å; A178-T207 VanDerWaalsContact N-O 3.09Å
208V85.4Confident74.2Confident26 Ų2683 Ų8316%0.15841%0.414CS..EExtended strand (participates in β ladder)trans-93121.2174.5-172.40000108.9A178 V180 L192 V195 L206 I210A178-V208 WeakPolarHBondContact O-CA 3.43Å; V180-V208 HydrophobicContact CG2-CG1 3.83Å; L192-V208 HydrophobicContact CD1-CB 3.75Å; L192-V208 HydrophobicContact CD1-CG1 3.91Å; V195-V208 HydrophobicContact CG1-CG1 4.18Å; V195-V208 HydrophobicContact CG1-CG2 4.13Å; L206-V208 HydrophobicContact CD1-CG2 4.35Å; L206-V208 HydrophobicContact CD2-CG2 3.45Å; L206-V208 VanDerWaalsContact CD2-CG2 3.45Å; L206-V208 HydrophobicContact CG-CG2 3.69Å; V208-I210 HydrophobicContact CG1-CG1 4.37Å
209Q86.6Confident72.6Confident95 Ų9584.1 Ų84.144%0.44443%0.429SS..EExtended strand (participates in β ladder)trans-102134168.7-64.9-168.2700109.4A178 H179 V180 F211A178-Q209 PolarHBondContact O-N 3.24Å; H179-Q209 CarbonylContact C-O 3.41Å; H179-Q209 WeakPolarHBondContact CA-O 3.38Å; H179-Q209 PolarHBondContact CD2-OE1 3.13Å; H179-Q209 VanDerWaalsContact CD2-OE1 3.23Å; H179-Q209 PolarHBondContact NE2-OE1 3.26Å; V180-Q209 PolarHBondContact N-O 2.84Å; Q209-F211 HydrophobicContact CB-CE2 4.48Å
210I85.9Confident71.2Confident42 Ų4291.2 Ų91.222%0.21547%0.467CS..EExtended strand (participates in β ladder)trans-109.1133.6-179.9-75.7173.8000109.7V180 I182 E188 L192 V208V180-I210 WeakPolarHBondContact O-CA 3.31Å; I182-I210 HydrophobicContact CD1-CB 4.3Å; I182-I210 HydrophobicContact CD1-CD1 3.72Å; I182-I210 HydrophobicContact CD1-CG1 3.84Å; I182-I210 HydrophobicContact CD1-CG2 3.54Å; I182-I210 HydrophobicContact CG1-CG2 4.1Å; E188-I210 HydrophobicContact CB-CG2 4.33Å; E188-I210 HydrophobicContact CG-CG2 4.08Å; E188-I210 WeakPolarHBondContact O-CD1 3.45Å; L192-I210 HydrophobicContact CB-CD1 3.5Å; L192-I210 VanDerWaalsContact CB-CD1 3.5Å; L192-I210 HydrophobicContact CD1-CD1 3.78Å; L192-I210 HydrophobicContact CD1-CG1 4.43Å; L192-I210 HydrophobicContact CG-CD1 4.11Å; V208-I210 HydrophobicContact CG1-CG1 4.37Å
211F84.7Confident69.5Low112 Ų11292.9 Ų92.949%0.49149%0.486SS..EExtended strand (participates in β ladder)trans-120.7132.1169.6-64.2-71.4000109.7H179 V180 R181 I182 Q209H179-F211 HydrophobicContact CB-CD2 4.37Å; H179-F211 HydrophobicContact CB-CE2 4.08Å; H179-F211 AromaticContact CD2-CE2 3.81Å; V180-F211 PolarHBondContact O-N 3.23Å; R181-F211 CarbonylContact C-O 3.53Å; R181-F211 VanDerWaalsContact CA-O 3.28Å; R181-F211 WeakPolarHBondContact CA-O 3.45Å; I182-F211 PolarHBondContact N-O 3.09Å; Q209-F211 HydrophobicContact CB-CE2 4.48Å
212K85.2Confident68Low77 Ų7790.9 Ų90.934%0.33548%0.483SS..EExtended strand (participates in β ladder)trans-80.4148.3170-148.7168.9-159.2146.30109.8R184 E188 D214R184-K212 WeakPolarHBondContact O-CE 3.49Å; E188-K212 WeakPolarHBondContact OE1-CD 3.19Å; E188-K212 WeakPolarHBondContact OE1-CE 3.28Å; E188-K212 IonicContact OE1-NZ 2.78Å; E188-K212 PolarHBondContact OE1-NZ 3.4Å; K212-D214 PolarHBondContact O-N 3.38Å
213D79.6Confident66.7Low33 Ų3395 Ų9518%0.17651%0.509CS..  trans-74.486.3178.5-177.359.4000112.9L159 R181 I182 R184 W215L159-D213 HydrophobicContact CD1-CB 3.62Å; R181-D213 HydrophobicContact CG-CB 4.41Å; R181-D213 IonicContact CZ-OD1 3.84Å; R181-D213 IonicContact NH1-OD1 3.66Å; R181-D213 PolarHBondContact NH1-OD1 3.31Å; I182-D213 PolarHBondContact O-N 3.14Å; R184-D213 VanDerWaalsContact CD-O 3.25Å; R184-D213 WeakPolarHBondContact CD-O 3.44Å; R184-D213 HydrophobicContact CG-CB 4.48Å; R184-D213 WeakPolarHBondContact CG-O 2.9Å; R184-D213 IonicContact CZ-OD2 2.79Å; R184-D213 PolarHBondContact NE-O 3.38Å; R184-D213 IonicContact NE-OD2 3.17Å; R184-D213 IonicContact NH2-OD2 2.71Å; R184-D213 PolarHBondContact NH2-OD2 3.07Å; R184-D213 VanDerWaalsContact NH2-OD2 3.09Å; D213-W215 PolarHBondContact O-N 2.68Å
214D67.4Low65.2Low112 Ų112103.3 Ų103.360%0.59955%0.553SS**  trans-79.5105.4169.8-65.2-39.1000110.6K212 T216K212-D214 PolarHBondContact O-N 3.38Å; D214-T216 PolarHBondContact O-N 3.19Å
215W55.5Low63.3Low187 Ų187105.2 Ų105.271%0.70857%0.569SS**  trans-65.32.9178.959-79.2000114.8R184 D213 R217R184-W215 VanDerWaalsContact CZ-CD1 3.48Å; D213-W215 PolarHBondContact O-N 2.68Å; W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 2.8Å
216T49Very low61.2Low97 Ų97107 Ų10760%0.59559%0.586SS**  trans-90.728.6-172.453.40000113.8D214 P218D214-T216 PolarHBondContact O-N 3.19Å; T216-P218 WeakPolarHBondContact O-CD 3.12Å
217R48.7Very low59.6Low228 Ų228111.3 Ų111.386%0.8662%0.615SS**  trans-100102162.3-71.2-172.9-177.5-96.8-1.9109.6W215W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 2.8Å
218P43.4Very low57.5Low107 Ų107112.6 Ų112.670%0.69563%0.633SS**  trans-60.6150.5171.8-18.931.8000110.9T216 L220T216-P218 WeakPolarHBondContact O-CD 3.12Å; P218-L220 VanDerWaalsContact C-N 3.28Å; P218-L220 PolarHBondContact O-N 3.36Å
219L48.6Very low55Low157 Ų157116 Ų11682%0.82266%0.664SS**  trans-67.375.3179.3-71.6159.1000112.5S221 G222L219-S221 PolarHBondContact O-N 3.49Å; L219-S221 VanDerWaalsContact O-N 3.08Å; L219-G222 PolarHBondContact O-N 3.43Å
220L50.7Low53Low156 Ų156118 Ų11882%0.81768%0.683SS**THydrogen-bonded Turntrans-78.225.9168.7-64.9-177.8000113.4P218P218-L220 VanDerWaalsContact C-N 3.28Å; P218-L220 PolarHBondContact O-N 3.36Å
221S44.8Very low51Low121 Ų121121.5 Ų121.585%0.84671%0.708SS**THydrogen-bonded Turntrans-107.64.2166.2-56.90000112.8L219L219-S221 PolarHBondContact O-N 3.49Å; L219-S221 VanDerWaalsContact O-N 3.08Å
222G46.7Very low48.9Very low57 Ų57122.1 Ų122.159%0.58872%0.724SS**  trans-91.2-9.5-178.500000116.3L219 L224L219-G222 PolarHBondContact O-N 3.43Å; G222-L224 PolarHBondContact O-N 2.93Å
223V46.5Very low46.7Very low120 Ų120126.4 Ų126.473%0.72775%0.749SS**  trans-98.952.3-168-162.70000112.7
224L43.9Very low44.9Very low175 Ų175130.8 Ų130.892%0.91678%0.78SS**  trans-146.953.7162.6-81.4-173.4000111.5G222G222-L224 PolarHBondContact O-N 2.93Å
225S35.5Very low43.4Very low120 Ų120132.5 Ų132.584%0.83979%0.794SS**SBendtrans-136133.3160-77.80000109
226S34Very low42.5Very low122 Ų122127.7 Ų127.785%0.85379%0.794SS**  trans-77.2170.5-163.2-109.90000115.1
227P45.6Very low42.1Very low120 Ų120128.9 Ų128.978%0.77980%0.804SS**  trans-91142.9-156.935.1-36.1000114.7
228A38.8Very low41.3Very low100 Ų100127.1 Ų127.183%0.82681%0.805SS**  trans-179.7118.4143.500000110.7
229A33.7Very low40.6Very low98 Ų98124.8 Ų124.881%0.8180%0.8SS**  trans168.3107.5144.400000110.1
230T43.8Very low39.9Very low137 Ų137128.6 Ų128.684%0.8481%0.805SS**PPolyproline II helixtrans-62.513516416.80000110.6
231P45.7Very low38.9Very low116 Ų116125.9 Ų125.975%0.75381%0.805SS**PPolyproline II helixtrans-74.4141.9168.630.4-32.6000110.7
232P40.3Very low38.2Very low125 Ų125124.5 Ų124.581%0.81280%0.801SS**PPolyproline II helixtrans-74143.6175-12.728.3000112.3
233L38.7Very low37.4Very low166 Ų166126.2 Ų126.287%0.86980%0.804SS**PPolyproline II helixtrans-72138.2169.4-68.7163.8000111
234P41.5Very low36.7Very low126 Ų126129.9 Ų129.982%0.81881%0.811SS**PPolyproline II helixtrans-77.3132.8159.7-7.425000110.3
235V35.7Very low36.9Very low147 Ų147127 Ų12789%0.89180%0.802SS**PPolyproline II helixtrans-78.2136.5173.7174.10000110.2
236A36.7Very low37Very low87 Ų87127.3 Ų127.372%0.71980%0.802SS**  trans-134.6146.7165.500000109.6
237P42Very low36.8Very low122 Ų122127.6 Ų127.679%0.79280%0.798SS**  trans-91.4145.3-164.834.7-35.8000115.6
238E30Very low36.1Very low191 Ų191128 Ų12889%0.89379%0.793SS**  trans29.6130.5148.5-55.5-168.2147.300123.1
239G29.8Very low35.7Very low58 Ų58133.4 Ų133.460%0.59879%0.793SS**  trans92.7134.1163.200000114.6
240Y33.5Very low35.4Very low236 Ų236132.2 Ų132.293%0.92579%0.791SS**  cis-147.7178.26.4-57.9-88.9000110
241A30.1Very low34.8Very low99 Ų99131.6 Ų131.682%0.81879%0.792SS**  trans-92.7-179.9-159.300000117.5
242A30.8Very low34Very low92 Ų92131 Ų13176%0.7680%0.797SS**  trans80.7150165.200000117.8
243S27.9Very low33.4Very low93 Ų93129 Ų12965%0.6580%0.799SS**  cis-171.6142.2-17.1-97.30000111
244F32.7Very low32.9Very low198 Ų198124.8 Ų124.887%0.86880%0.796SS**  trans56.3148.3162.9-56.4-65.6000121.7
245P48.6Very low32.3Very low113 Ų113126.7 Ų126.773%0.73479%0.794SS**  trans-98163.9168.339.3-33.5000112.6
246P36.5Very low31.9Very low128 Ų128125.8 Ų125.883%0.83178%0.78SS**  trans-116.3142.8157.635.3-25.4000112.9
247V31Very low31.6Very low127 Ų127129.9 Ų129.977%0.7778%0.782SS**  trans-129150166.7-161.20000107.8
248L31.1Very low31.5Very low129 Ų129131.3 Ų131.368%0.67578%0.783SS**  trans105134.5151.7-64.7178.1000121.8
249Y30.3Very low31.8Very low213 Ų213127.2 Ų127.284%0.83577%0.773SS**  trans59.6147.8159.2-60.5-61.2000118.7
250G27.7Very low31.9Very low74 Ų74131.8 Ų131.876%0.76378%0.783SS**  cis161.8173.8-0.800000109.6
251S29.3Very low31.6Very low123 Ų123126.2 Ų126.286%0.8677%0.774SS**  cis-173134.8-15.1-174.80000108.9
252A29.2Very low31.7Very low103 Ų103126.8 Ų126.885%0.85177%0.772SS**  trans-157.4110.9171.400000115.1
253G28.3Very low31.7Very low84 Ų84128.8 Ų128.887%0.86678%0.775SS**  trans80.8112.7175.300000113.9
254G28.2Very low32.5Very low78 Ų78129.8 Ų129.880%0.80478%0.779SS**  cis98.6121.226.300000108.7
255Q28.3Very low32.5Very low165 Ų165126.2 Ų126.277%0.77178%0.778SS**  cis-161.915116.6-142.5175.5-43.600109.5
256E27.7Very low31.6Very low128 Ų128130.1 Ų130.160%0.59878%0.784SS**  trans43.7142.9142.9-85.8168.7148.700122.1
257F31.2Very low31.4Very low174 Ų174129 Ų12976%0.76378%0.779SS**  cis-151.4162.117.6-97-76.1000110.5
258D38.7Very low31.4Very low151 Ų151128.4 Ų128.481%0.80778%0.78SS**  trans-138.6126.1160.7-174.515.2000109.8
259P36.8Very low31.8Very low105 Ų105127.4 Ų127.468%0.68279%0.785SS**  trans-133.3100.7167.735-17.4000114.1
260L31.1Very low32.4Very low154 Ų154122.8 Ų122.881%0.80678%0.78SS**  49.3132.4120.9-65.6177.4000121.7
261T28.5Very low33Very low120 Ų120125 Ų12574%0.73678%0.782SS**  trans102.3132.6132.7-67.90000121.5
262S32.6Very low33.7Very low111 Ų111125.4 Ų125.478%0.77678%0.781SS**  trans88.7143.6150.565.40000122.4
263T30.4Very low34.1Very low133 Ų133129.2 Ų129.282%0.81678%0.781SS**  trans-99.8-157.2-173.547.70000110.6
264P44.4Very low34.5Very low115 Ų115133.8 Ų133.875%0.74778%0.778SS**  -131.6156.7-76.138.3-22.6000114.8
265S33.2Very low34.9Very low122 Ų122135.2 Ų135.285%0.85378%0.776SS**  trans-164.492.7162.845.70000118.7
266K29.5Very low35.4Very low196 Ų196135.5 Ų135.585%0.85278%0.775SS**  trans36108.9132-162.1154.3-174.6175.90123.5
267S32.3Very low35.8Very low103 Ų103136.7 Ų136.772%0.7279%0.785SS**  trans45.4124.8137.8730000123.8
268S31.5Very low36.2Very low115 Ų115134.8 Ų134.880%0.80479%0.788SS**  -174.3156.9122.2-165.70000113.3
269S38.3Very low35.9Very low109 Ų109134 Ų13476%0.76279%0.791SS**  trans84.5144.2162.676.70000120.9
270P42.3Very low35.7Very low115 Ų115132.4 Ų132.475%0.74779%0.793SS**PPolyproline II helixtrans-92169-171.538.4-37.5000114.3
271P41.3Very low35.9Very low122 Ų122136.3 Ų136.379%0.79280%0.797SS**PPolyproline II helixtrans-76.5141.9-174.530.8-36.1000113.6
272P43.4Very low36.2Very low131 Ų131138.6 Ų138.685%0.85181%0.805SS**PPolyproline II helixtrans-78.8163.6173.832.7-34.6000113.1
273E38.2Very low36.5Very low182 Ų182139.4 Ų139.485%0.8581%0.805SS**PPolyproline II helixtrans-67.9149.2-167.1-73.9162.398.100116.7
274F35.7Very low36.7Very low180 Ų180137.3 Ų137.379%0.78980%0.802SS**  trans12.7110.3137.9-107.9-105.8000117.1F276F274-F276 AromaticContact CD1-CD2 3.74Å; F274-F276 HydrophobicContact CD1-CD2 3.74Å; F274-F276 HydrophobicContact CD1-CE2 4.15Å; F274-F276 AromaticContact CE1-CD2 3.57Å; F274-F276 HydrophobicContact CE1-CD2 3.57Å; F274-F276 AromaticContact CE1-CE2 3.58Å; F274-F276 HydrophobicContact CE1-CE2 3.58Å; F274-F276 HydrophobicContact CZ-CD2 4.47Å; F274-F276 HydrophobicContact CZ-CE2 4.07Å
275S36.9Very low36.4Very low109 Ų109137.5 Ų137.576%0.76280%0.803SS**  trans-13589162.9-74.90000110N277S275-N277 PolarHBondContact O-N 3.32Å
276F38.7Very low36.5Very low171 Ų171139.7 Ų139.775%0.7580%0.804SS**  trans-82111.1170.1-95.2-88.9000109.9F274 T278F274-F276 AromaticContact CD1-CD2 3.74Å; F274-F276 HydrophobicContact CD1-CD2 3.74Å; F274-F276 HydrophobicContact CD1-CE2 4.15Å; F274-F276 AromaticContact CE1-CD2 3.57Å; F274-F276 HydrophobicContact CE1-CD2 3.57Å; F274-F276 AromaticContact CE1-CE2 3.58Å; F274-F276 HydrophobicContact CE1-CE2 3.58Å; F274-F276 HydrophobicContact CZ-CD2 4.47Å; F274-F276 HydrophobicContact CZ-CE2 4.07Å; F276-T278 PolarHBondContact O-N 2.93Å
277N36.2Very low36.8Very low152 Ų152136.3 Ų136.381%0.81380%0.799SS**PPolyproline II helixtrans-66.3123.7172.5-77.2-83.2000110.6S275S275-N277 PolarHBondContact O-N 3.32Å
278T39.1Very low36.9Very low134 Ų134138.9 Ų138.982%0.82280%0.804SS**PPolyproline II helixtrans-97.7124.5163.536.90000109.9F276 G280F276-T278 PolarHBondContact O-N 2.93Å; T278-G280 PolarHBondContact O-N 3.25Å
279P34.4Very low36.9Very low134 Ų134138.7 Ų138.787%0.8780%0.8SS**PPolyproline II helixtrans-77121.7-177-16.931.5000113.6
280G32.2Very low36.8Very low72 Ų72138.2 Ų138.274%0.74280%0.803SS**  trans88103.414200000118.8T278T278-G280 PolarHBondContact O-N 3.25Å
281R35.4Very low36.5Very low236 Ų236138.9 Ų138.989%0.89181%0.807SS**  -165.689.4116.7-156.4165.4-173.1155.5-0.4111.3
282N34.8Very low36Very low168 Ų168136.9 Ų136.990%0.89881%0.809SS**  trans-76.9127.6173.4-72.2-56.5000110.7
283V38Very low35.4Very low129 Ų129138.8 Ų138.878%0.78281%0.806SS**  trans-129.9115.1161.2-175.20000106.6
284A35.3Very low35.1Very low89 Ų89137.8 Ų137.874%0.73680%0.801SS**  trans-76.9144.3-17700000111.4L286A284-L286 PolarHBondContact O-N 2.92Å
285P38Very low34.8Very low119 Ų119134.7 Ų134.777%0.77380%0.797SS**  trans-76.2118.3174.730.5-32.3000110.5
286L34.2Very low34.4Very low168 Ų168138.3 Ų138.388%0.8880%0.802SS**  trans-82114.9172.3-170.572.5000109.5A284A284-L286 PolarHBondContact O-N 2.92Å
287V37.5Very low34Very low124 Ų124139.4 Ų139.475%0.75280%0.801SS**  trans-101.2120.6178.9175.80000110.1
288L32.7Very low34.2Very low158 Ų158137.7 Ų137.783%0.82780%0.798SS**  trans-146.3159.3163.2-83.8-176.4000110.3
289P32.8Very low33.8Very low111 Ų111140.9 Ų140.972%0.72180%0.797SS**  trans-101.1163.5-139.937.5-37.5000116.3
290A35.2Very low33.6Very low98 Ų98138.3 Ų138.381%0.8179%0.794SS**  trans-70.7150.9169.300000112.3
291P37.3Very low33.6Very low130 Ų130138.8 Ų138.884%0.84480%0.8SS**  -144164.4120.138.3-25.8000114.4
292G29.9Very low33.8Very low80 Ų80136.5 Ų136.583%0.82580%0.804SS**  trans110.1113.2152.900000116.7
293Q32Very low33.7Very low171 Ų171132.3 Ų132.380%0.79980%0.801SS**  trans-70.7155.7161-64158.8-77.800110
294H29.9Very low33.9Very low161 Ų161134.5 Ų134.575%0.74581%0.807SS**  162.2118.9123.4-87-72.5000113.4
295T30.1Very low33.7Very low115 Ų115136 Ų13671%0.70681%0.812SS**  trans63.2131.9140.554.90000124
296H28.7Very low33.4Very low184 Ų184141.6 Ų141.685%0.85282%0.819SS**  trans89.6118.3141-97.6-87.6000122.8
297R30.5Very low33.2Very low194 Ų194137.4 Ų137.473%0.73282%0.817SS**  trans-81.3160.9153.9-141.3-166.8173.6163.4-3.2108.3
298P41.2Very low33.1Very low117 Ų117135.8 Ų135.876%0.7682%0.817SS**  -149.4168.175.437.4-16.9000117.7
299Y29.3Very low33.7Very low200 Ų200134.4 Ų134.478%0.78482%0.817SS**  trans11.4139.2152.8-82.5-98.6000124.2
300G30.3Very low34.2Very low80 Ų80134.4 Ų134.483%0.82582%0.817SS**  124.5133.8123.100000117.7
301G32.1Very low34.1Very low83 Ų83140.6 Ų140.686%0.85682%0.821SS**  trans142.7100.3161.700000116.7
302L39.7Very low33.8Very low188 Ų188138.7 Ų138.798%0.98482%0.816SS**  trans-72.6147153.1-95.275.7000109
303G33.2Very low33.8Very low80 Ų80138.8 Ų138.883%0.82582%0.817SS**  trans-173.396.6172.100000114.4
304L42Very low34.1Very low175 Ų175138.8 Ų138.892%0.91682%0.819SS**  trans-77.1137.7160.6-73.7160000109.2
305S30.6Very low34.7Very low120 Ų120137.2 Ų137.284%0.83982%0.823SS**  trans-172.3130.8142-86.70000115
306Y31.2Very low34.8Very low236 Ų236134.2 Ų134.293%0.92582%0.815SS**  trans-6.7145152.6-81-101.3000121.4
307G30.4Very low34.9Very low81 Ų81134 Ų13484%0.83581%0.812SS**  trans-173.294.3157.800000113
308A36.7Very low34.8Very low90 Ų90134.9 Ų134.974%0.74482%0.815SS**  trans-107.6144.1171.300000110.6
309P43.8Very low34.7Very low129 Ų129136.7 Ų136.784%0.83882%0.818SS**  trans-81.7146.417632.6-33.4000112.2
310P45Very low35Very low110 Ų110133.2 Ų133.271%0.71482%0.819SS**  trans-112.4-178.7-170.443.1-37.5000115.7
311Y31.3Very low35Very low229 Ų229133.9 Ų133.990%0.89881%0.811SS**  trans74.8148168.6-84.4-104.2000119.2
312A32.5Very low35.2Very low90 Ų90134.4 Ų134.474%0.74480%0.802SS**  cis-173.2145.9-38.600000107.6
313G29.8Very low34.8Very low81 Ų81133 Ų13384%0.83579%0.79SS**  trans171.882.1176.200000115
314M38.7Very low34.6Very low171 Ų171134.3 Ų134.384%0.84279%0.787SS**  trans-137144.9170.1-94.6-70.9-165.800106.9
315P42.3Very low34Very low129 Ų129136.3 Ų136.384%0.83878%0.784SS**  -135.8157.268.236.1-20000113.2
316G31.9Very low34Very low51 Ų51141 Ų14153%0.52678%0.783SS.*  cis118.5122.817.300000109.8
317F30.5Very low34.1Very low181 Ų181135.6 Ų135.679%0.79478%0.775SS**  trans-175.7127.6146-117.9-130.2000113.6
318R27.6Very low34.1Very low211 Ų211134.9 Ų134.980%0.79676%0.761SS**  trans61.1105.5150.3-64-175.7-175.3-170.10.7121.8
319L38.7Very low33.8Very low156 Ų156140.1 Ų140.182%0.81777%0.767SS**  trans-61.8163.3133.4-111.472.3000110.7
320P37.7Very low33.3Very low126 Ų126140.8 Ų140.882%0.81877%0.769SS**  -136.7161.6107.437.7-27.6000115.2
321S30.2Very low32.7Very low94 Ų94138.6 Ų138.666%0.65777%0.766SS**  trans-86.5154.7178.250.20000113.6
322S35.5Very low32.7Very low95 Ų95133.7 Ų133.766%0.66477%0.765SS**  trans36.7123.2144.762.80000120.3
323H30.3Very low32.8Very low157 Ų157135.8 Ų135.873%0.72777%0.769SS**  -158.3141.5128.7-11470.4000113.1Y325H323-Y325 HydrophobicContact CB-CE2 4.34Å; H323-Y325 AromaticContact CD2-CE2 3.65Å
324S30Very low33.8Very low108 Ų108137.6 Ų137.676%0.75577%0.766SS**  trans-88.3136.9168.7-54.10000109.8
325Y30.3Very low34.2Very low217 Ų217135 Ų13585%0.85176%0.762SS**  trans-139.4155.5159.8-83.5-73.4000111.7H323H323-Y325 HydrophobicContact CB-CE2 4.34Å; H323-Y325 AromaticContact CD2-CE2 3.65Å
326R30.2Very low34Very low220 Ų220136.7 Ų136.783%0.8376%0.763SS**  trans-130.7162.5-163.9-155.1-171-162.8-124.27.5108.7
327T33.3Very low34.1Very low121 Ų121146.2 Ų146.274%0.74278%0.783SS**  trans68.6146.7159.3340000117.8
328A30.9Very low34.3Very low66 Ų66146.7 Ų146.755%0.54579%0.785SS.*  cis-164.8175.3-3.700000113.5
329F30.4Very low34.6Very low201 Ų201140.4 Ų140.488%0.88279%0.786SS**  trans68.8134.2166.1-61.4-77000116.4
330V33.2Very low34.6Very low143 Ų143139.7 Ų139.787%0.86779%0.788SS**  cis-138.3154.717.51780000108.8
331G31.6Very low34.4Very low63 Ų63137.5 Ų137.565%0.64979%0.789SS**  cis164.6173.9-5.600000113.4
332S31.1Very low34.8Very low126 Ų126140.6 Ų140.688%0.88180%0.798SS**  trans50100.8159.9-52.40000122.5
333T35.8Very low35.5Very low134 Ų134141.3 Ų141.382%0.82280%0.8SS**  trans-73.2162.1156.350.50000112.8
334P49.4Very low35.8Very low119 Ų119138.6 Ų138.677%0.77381%0.805SS**  -150.6-163.78744.9-24.6000113.3
335P46.8Very low36.4Very low118 Ų118137.8 Ų137.877%0.76681%0.805SS**  -130179.8-89.140.2-21.8000116.2
336L38.2Very low37.2Very low163 Ų163132.5 Ų132.585%0.85380%0.797SS**  trans-28140.4170-68.6153.9000117.6
337R34.4Very low37.6Very low251 Ų251131 Ų13195%0.94780%0.799SS**  trans-140.4116.7152.2-151.1175.7-170-1792.8112
338F34Very low37.8Very low191 Ų191134.4 Ų134.484%0.83883%0.829SS**  trans-66.5149165.4-96.2-107.9000110.3
339G35.7Very low38.1Very low79 Ų79137.9 Ų137.981%0.81484%0.843SS**  trans-154.965.2-177.100000113.5
340T38Very low38.5Very low141 Ų141134.5 Ų134.587%0.86584%0.841SS**  trans-74.8129.3162.744.10000109.9
341G33.1Very low38.8Very low81 Ų81134.1 Ų134.184%0.83584%0.839SS**  trans157.496170.900000115
342N39Very low39.3Very low158 Ų158138.2 Ų138.285%0.84585%0.85SS**  trans-112.2164.8157-146.914.9000106
343P49.6Very low39.8Very low110 Ų110139 Ų13971%0.71485%0.849SS**  cis-125.4173.4-21.739.7-25.9000112.4
344A37.3Very low40Very low100 Ų100139.3 Ų139.383%0.82685%0.85SS**  trans179.8129.6142.100000112.6
345A43.3Very low39.4Very low92 Ų92140.8 Ų140.876%0.7686%0.856SS**  trans-83.6173152.500000108.2
346P46.5Very low38.8Very low105 Ų105142.5 Ų142.568%0.68286%0.863SS**  cis-152.6-168.331.246.5-25.2000117.7
347Q37.3Very low38.9Very low188 Ų188140.8 Ų140.888%0.87986%0.864SS**  trans65.9108.4156.5-69.9176.611.100119.7
348S38.1Very low39.3Very low194 Ų194130.8 Ų130.8100%1.35786%0.856SS**  -152.30100.162.90000110.5

Retrieved 348 of 348 residues in 1902.3 ms (Link to these results)