A0A077YW13_TRITR Loading...

Tetraspanin 5

AlphaFold DB , UniProt , Accession A0A077YW13, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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
1M39.6Very low44.5Very low220 Ų220133 Ų133100%1.08469%0.687SS**  0-30.60-132.3166.8-129.600113.4
2V40.5Very low45.2Very low136 Ų136130.9 Ų130.982%0.82468%0.677SS**G310 helixtrans-74-24.7177.4-179.20000114.5R4V2-R4 VanDerWaalsContact C-N 3.3Å; V2-R4 PolarHBondContact O-N 3.28Å
3R39.7Very low46.2Very low232 Ų232128.7 Ų128.788%0.87567%0.665SS**G310 helixtrans-71.8-14.2179.3-76.1-174.7-175.7173.11.3115.5
4R39.4Very low47Very low216 Ų216124.9 Ų124.982%0.81564%0.644SS**G310 helixtrans-98.6-6.3-174.9-146.9178.8-88.4-170.3-5.5113.7V2V2-R4 VanDerWaalsContact C-N 3.3Å; V2-R4 PolarHBondContact O-N 3.28Å
5F38.2Very low47.8Very low175 Ų175123.9 Ų123.977%0.76864%0.635SS**THydrogen-bonded Turntrans-94.1-21.1176.9-96.8-87.1000113.6
6G40.4Very low48.3Very low40 Ų40124.6 Ų124.641%0.41264%0.635SS.*Hα-helixtrans-75.7-28.1175.300000114.2C8 S9 L10G6-C8 PolarHBondContact O-N 3.27Å; G6-S9 PolarHBondContact O-N 3.03Å; G6-L10 PolarHBondContact O-N 3.29Å
7D51.5Low48.9Very low111 Ų111121.1 Ų121.159%0.59462%0.62SS**Hα-helixtrans-70.7-31-177.2-67.2-29.4000112.8A11D7-A11 WeakPolarHBondContact O-CB 3.46Å; D7-A11 PolarHBondContact O-N 3.15Å
8C42.4Very low49.3Very low87 Ų87122.3 Ų122.359%0.58862%0.617SS**Hα-helixtrans-72.4-37.4177.1-90.90000112.9G6 L12G6-C8 PolarHBondContact O-N 3.27Å; C8-L12 WeakPolarHBondContact O-CB 3.17Å; C8-L12 PolarHBondContact O-N 3.04Å
9S51.6Low49.5Very low76 Ų76120.6 Ų120.653%0.53161%0.609SS.*Hα-helixtrans-69.9-41.8176.5-86.30000111.8G6 L12 I13G6-S9 PolarHBondContact O-N 3.03Å; S9-L12 PolarHBondContact O-N 3.44Å; S9-I13 WeakPolarHBondContact O-CB 3.23Å; S9-I13 WeakPolarHBondContact O-CD1 3.29Å; S9-I13 WeakPolarHBondContact O-CG1 3.24Å; S9-I13 PolarHBondContact O-N 3.29Å
10L52.8Low49.6Very low113 Ų113120.1 Ų120.159%0.59260%0.603SS**Hα-helixtrans-66-40.1175.2-108.895.9000112.1G6 I13 M14G6-L10 PolarHBondContact O-N 3.29Å; L10-I13 PolarHBondContact O-N 3.12Å; L10-M14 VanDerWaalsContact O-CB 3.27Å; L10-M14 WeakPolarHBondContact O-CB 3.27Å; L10-M14 VanDerWaalsContact O-CG 3.25Å; L10-M14 WeakPolarHBondContact O-CG 3.24Å; L10-M14 PolarHBondContact O-N 3.39Å
11A53.3Low49.7Very low57 Ų57121.5 Ų121.547%0.47160%0.601SS.*Hα-helixtrans-66.1-37.717700000112.3D7 H15D7-A11 WeakPolarHBondContact O-CB 3.46Å; D7-A11 PolarHBondContact O-N 3.15Å; A11-H15 WeakPolarHBondContact O-CB 3.21Å; A11-H15 PolarHBondContact O-N 2.8Å
12L53.4Low50.5Low108 Ų108121 Ų12157%0.56559%0.587SS**Hα-helixtrans-66.1-42.8172.9-99.8141.6000111.6C8 S9 H15 Q16C8-L12 WeakPolarHBondContact O-CB 3.17Å; C8-L12 PolarHBondContact O-N 3.04Å; S9-L12 PolarHBondContact O-N 3.44Å; L12-H15 PolarHBondContact O-N 2.75Å; L12-Q16 VanDerWaalsContact O-CB 3.27Å; L12-Q16 WeakPolarHBondContact O-CB 3.4Å; L12-Q16 WeakPolarHBondContact O-CG 3.25Å; L12-Q16 PolarHBondContact O-N 3.43Å
13I57.8Low51Low102 Ų102125 Ų12552%0.52359%0.588SS.*Hα-helixtrans-64.8-42.8175.9-66.9163.6000110.7S9 L10 Q16 V17S9-I13 WeakPolarHBondContact O-CB 3.23Å; S9-I13 WeakPolarHBondContact O-CD1 3.29Å; S9-I13 WeakPolarHBondContact O-CG1 3.24Å; S9-I13 PolarHBondContact O-N 3.29Å; L10-I13 PolarHBondContact O-N 3.12Å; I13-Q16 PolarHBondContact O-N 2.85Å; I13-V17 HydrophobicContact CG2-CG2 4.42Å; I13-V17 WeakPolarHBondContact O-CB 3.07Å; I13-V17 WeakPolarHBondContact O-CG2 3.23Å; I13-V17 PolarHBondContact O-N 3.34Å
14M56.9Low51.6Low76 Ų76116.9 Ų116.937%0.37456%0.562SS.*Hα-helixtrans-64.7-41.6175.7-79.2-83.5112.400112.5L10 V17 Y18 D307L10-M14 VanDerWaalsContact O-CB 3.27Å; L10-M14 WeakPolarHBondContact O-CB 3.27Å; L10-M14 VanDerWaalsContact O-CG 3.25Å; L10-M14 WeakPolarHBondContact O-CG 3.24Å; L10-M14 PolarHBondContact O-N 3.39Å; M14-V17 PolarHBondContact O-N 3.5Å; M14-Y18 VanDerWaalsContact O-CB 3.23Å; M14-Y18 WeakPolarHBondContact O-CB 2.99Å; M14-Y18 PolarHBondContact O-N 2.79Å; M14-D307 WeakPolarHBondContact CE-OD2 3.25Å
15H59.1Low52.1Low110 Ų110112.3 Ų112.351%0.50956%0.563SS.*Hα-helixtrans-69.7-36.2175.9-172.6-103.8000111.5A11 L12 Y18 L19A11-H15 WeakPolarHBondContact O-CB 3.21Å; A11-H15 PolarHBondContact O-N 2.8Å; L12-H15 PolarHBondContact O-N 2.75Å; H15-Y18 PolarHBondContact O-N 3.42Å; H15-L19 WeakPolarHBondContact CE1-CD1 3.38Å; H15-L19 WeakPolarHBondContact ND1-CD1 3.25Å; H15-L19 VanDerWaalsContact O-CB 3.24Å; H15-L19 WeakPolarHBondContact O-CB 3.27Å; H15-L19 VanDerWaalsContact O-CG 3.29Å; H15-L19 WeakPolarHBondContact O-CG 3.17Å; H15-L19 PolarHBondContact O-N 2.8Å
16Q56.3Low52.7Low134 Ų134107.7 Ų107.763%0.62655%0.552SS**Hα-helixtrans-62.9-49.4170.8-69-117-23.500110.1L12 I13 Y18 L19 F20L12-Q16 VanDerWaalsContact O-CB 3.27Å; L12-Q16 WeakPolarHBondContact O-CB 3.4Å; L12-Q16 WeakPolarHBondContact O-CG 3.25Å; L12-Q16 PolarHBondContact O-N 3.43Å; I13-Q16 PolarHBondContact O-N 2.85Å; Q16-Y18 PolarHBondContact O-N 3.41Å; Q16-L19 PolarHBondContact O-N 3.35Å; Q16-F20 WeakPolarHBondContact O-CB 3.41Å; Q16-F20 PolarHBondContact O-N 2.79Å
17V58.3Low53.1Low65 Ų65109.8 Ų109.839%0.39455%0.551SS.*Hα-helixtrans-62.9-38.1177.2171.20000112I13 M14 F20 R21I13-V17 HydrophobicContact CG2-CG2 4.42Å; I13-V17 WeakPolarHBondContact O-CB 3.07Å; I13-V17 WeakPolarHBondContact O-CG2 3.23Å; I13-V17 PolarHBondContact O-N 3.34Å; M14-V17 PolarHBondContact O-N 3.5Å; V17-F20 PolarHBondContact O-N 3.42Å; V17-R21 VanDerWaalsContact O-CB 3.25Å; V17-R21 WeakPolarHBondContact O-CB 3.2Å; V17-R21 PolarHBondContact O-N 2.82Å
18Y55.7Low53.2Low143 Ų143108.2 Ų108.256%0.56155%0.546SS*.Hα-helixtrans-70.1-42.8176.6-172.8-94.2000112.2M14 H15 Q16 F20 R21 R22M14-Y18 VanDerWaalsContact O-CB 3.23Å; M14-Y18 WeakPolarHBondContact O-CB 2.99Å; M14-Y18 PolarHBondContact O-N 2.79Å; H15-Y18 PolarHBondContact O-N 3.42Å; Q16-Y18 PolarHBondContact O-N 3.41Å; Y18-F20 VanDerWaalsContact C-N 3.31Å; Y18-R21 PolarHBondContact O-N 2.81Å; Y18-R22 PolarHBondContact O-N 3.43Å; Y18-R22 VanDerWaalsContact O-N 3.12Å
19L53.7Low54Low90 Ų90106.5 Ų106.547%0.47153%0.534SS..Hα-helixtrans-66.6-34172.5-75.6177.4000111.9H15 Q16 R22 R23H15-L19 WeakPolarHBondContact CE1-CD1 3.38Å; H15-L19 WeakPolarHBondContact ND1-CD1 3.25Å; H15-L19 VanDerWaalsContact O-CB 3.24Å; H15-L19 WeakPolarHBondContact O-CB 3.27Å; H15-L19 VanDerWaalsContact O-CG 3.29Å; H15-L19 WeakPolarHBondContact O-CG 3.17Å; H15-L19 PolarHBondContact O-N 2.8Å; Q16-L19 PolarHBondContact O-N 3.35Å; L19-R22 PolarHBondContact O-N 2.98Å; L19-R23 VanDerWaalsContact O-CB 3.23Å; L19-R23 WeakPolarHBondContact O-CB 3.49Å; L19-R23 PolarHBondContact O-N 3.27Å
20F51Low54.6Low111 Ų111105.4 Ų105.449%0.48753%0.526SS..Hα-helixtrans-68-41.8174.9-157.7-114.7000110.9Q16 V17 Y18 R22 R23 N24 E27Q16-F20 WeakPolarHBondContact O-CB 3.41Å; Q16-F20 PolarHBondContact O-N 2.79Å; V17-F20 PolarHBondContact O-N 3.42Å; Y18-F20 VanDerWaalsContact C-N 3.31Å; F20-R22 PolarHBondContact O-N 2.98Å; F20-R23 PolarHBondContact O-N 3.5Å; F20-N24 PolarHBondContact O-N 3.5Å; F20-E27 VanDerWaalsContact CE1-CD 3.42Å; F20-E27 WeakPolarHBondContact CE1-OE1 3.47Å; F20-E27 WeakPolarHBondContact CE1-OE2 3.46Å; F20-E27 WeakPolarHBondContact CZ-OE1 3.5Å; F20-E27 WeakPolarHBondContact CZ-OE2 3.31Å
21R52.2Low55.3Low150 Ų150105.4 Ų105.457%0.56652%0.522SS*.Hα-helixtrans-61-27.6172.1-167.1174.7-169.8-176.9-0.3112.8V17 Y18 E94V17-R21 VanDerWaalsContact O-CB 3.25Å; V17-R21 WeakPolarHBondContact O-CB 3.2Å; V17-R21 PolarHBondContact O-N 2.82Å; Y18-R21 PolarHBondContact O-N 2.81Å; R21-E94 IonicContact CZ-OE1 3.41Å; R21-E94 IonicContact NH1-OE1 2.9Å; R21-E94 PolarHBondContact NH1-OE1 3.34Å; R21-E94 IonicContact NH2-OE1 2.93Å; R21-E94 PolarHBondContact NH2-OE1 2.96Å
22R56.1Low56.2Low209 Ų209105 Ų10579%0.78951%0.513SS*.Hα-helixtrans-94.4-17.3179.6-148.2178.6-172.3-169.72.8114.3Y18 L19 F20Y18-R22 PolarHBondContact O-N 3.43Å; Y18-R22 VanDerWaalsContact O-N 3.12Å; L19-R22 PolarHBondContact O-N 2.98Å; F20-R22 PolarHBondContact O-N 2.98Å
23R51.7Low57.1Low221 Ų221105.2 Ų105.283%0.83451%0.509SS*.Hα-helixtrans-105.9-21.3-171.4-170.7157.7161.8167.8-7.9114.8L19 F20L19-R23 VanDerWaalsContact O-CB 3.23Å; L19-R23 WeakPolarHBondContact O-CB 3.49Å; L19-R23 PolarHBondContact O-N 3.27Å; F20-R23 PolarHBondContact O-N 3.5Å
24N51.4Low57.9Low61 Ų61107.5 Ų107.533%0.32651%0.513SS..  trans-127.986.8-178.3-80.9-6.8000113.4F20 S26 E27F20-N24 PolarHBondContact O-N 3.5Å; N24-S26 PolarHBondContact O-N 3.42Å; N24-E27 HydrophobicContact CB-CG 4.44Å; N24-E27 PolarHBondContact ND2-OE1 3.32Å; N24-E27 PolarHBondContact O-N 3.21Å
25S51Low59.2Low120 Ų120105.3 Ų105.384%0.83950%0.502SS*.Hα-helixtrans-59.8-11.4164.6-74.30000113.6
26S49.6Very low60.5Low78 Ų78104.7 Ų104.755%0.54550%0.501SS..Hα-helixtrans-70.8-24.6-179.546.30000114.4N24 S29N24-S26 PolarHBondContact O-N 3.42Å; S26-S29 WeakPolarHBondContact O-CB 3.11Å
27E49.5Very low62Low84 Ų84102.6 Ų102.639%0.39349%0.494SS..Hα-helixtrans-89.3-33.1-173-69.4-178-163.100113.8F20 N24 S29 C30F20-E27 VanDerWaalsContact CE1-CD 3.42Å; F20-E27 WeakPolarHBondContact CE1-OE1 3.47Å; F20-E27 WeakPolarHBondContact CE1-OE2 3.46Å; F20-E27 WeakPolarHBondContact CZ-OE1 3.5Å; F20-E27 WeakPolarHBondContact CZ-OE2 3.31Å; N24-E27 HydrophobicContact CB-CG 4.44Å; N24-E27 PolarHBondContact ND2-OE1 3.32Å; N24-E27 PolarHBondContact O-N 3.21Å; E27-S29 PolarHBondContact O-N 3.07Å; E27-C30 WeakPolarHBondContact O-CB 3.42Å; E27-C30 PolarHBondContact O-N 2.93Å
28V52.4Low63.5Low78 Ų7899.5 Ų99.547%0.47348%0.475SS..Hα-helixtrans-58.2-29.5168.1-1770000110.2C30 V32 L92V28-C30 PolarHBondContact O-N 2.9Å; V28-V32 HydrophobicContact CG1-CG2 4.44Å; V28-V32 WeakPolarHBondContact O-CG2 2.92Å; V28-V32 PolarHBondContact O-N 3.21Å; V28-L92 HydrophobicContact CG1-CD2 4.17Å
29S60.4Low65.3Low50 Ų5095.4 Ų95.435%0.3546%0.462SS..Hα-helixtrans-59.1-31.4173.7-159.80000112.7S26 E27 K33S26-S29 WeakPolarHBondContact O-CB 3.11Å; E27-S29 PolarHBondContact O-N 3.07Å; S29-K33 WeakPolarHBondContact O-CB 3.43Å; S29-K33 WeakPolarHBondContact O-CD 3.33Å; S29-K33 WeakPolarHBondContact O-CG 2.85Å; S29-K33 PolarHBondContact O-N 3.47Å; S29-K33 WeakPolarHBondContact OG-CE 3.4Å
30C63.1Low67.2Low53 Ų5393.5 Ų93.536%0.35846%0.46SS..Hα-helixtrans-72.7-49.2-175.6-155.20000112.5E27 V28 V32 K33 Y34E27-C30 WeakPolarHBondContact O-CB 3.42Å; E27-C30 PolarHBondContact O-N 2.93Å; V28-C30 PolarHBondContact O-N 2.9Å; C30-V32 VanDerWaalsContact C-N 3.32Å; C30-V32 PolarHBondContact O-N 3.43Å; C30-K33 WeakPolarHBondContact O-CB 3.46Å; C30-K33 PolarHBondContact O-N 3.42Å; C30-K33 VanDerWaalsContact O-N 3.13Å; C30-Y34 WeakPolarHBondContact O-CD2 2.94Å; C30-Y34 PolarHBondContact O-N 3.13Å; C30-Y34 VanDerWaalsContact O-N 3.1Å; C30-Y34 WeakPolarHBondContact SG-CE2 3.33Å
31F67.4Low69.2Low114 Ų11490.9 Ų90.950%0.545%0.45SS..Hα-helixtrans-63-39177.5-78.4-79.8000112.6K33 Y34 M35 C88F31-K33 VanDerWaalsContact C-N 3.33Å; F31-Y34 PolarHBondContact O-N 3.19Å; F31-M35 PolarHBondContact O-N 2.84Å; F31-C88 HydrophobicContact CB-CB 4.45Å
32V72.3Confident71.3Confident47 Ų4785.4 Ų85.429%0.28543%0.432SS..Hα-helixtrans-64.2-40.1175.1176.50000110.6V28 C30 Y34 M35 L36V28-V32 HydrophobicContact CG1-CG2 4.44Å; V28-V32 WeakPolarHBondContact O-CG2 2.92Å; V28-V32 PolarHBondContact O-N 3.21Å; C30-V32 VanDerWaalsContact C-N 3.32Å; C30-V32 PolarHBondContact O-N 3.43Å; V32-Y34 PolarHBondContact O-N 3.46Å; V32-M35 PolarHBondContact O-N 3.28Å; V32-L36 HydrophobicContact CG1-CD1 4Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CB 3.37Å; V32-L36 VanDerWaalsContact O-CG 3.26Å; V32-L36 WeakPolarHBondContact O-CG 3.42Å; V32-L36 PolarHBondContact O-N 3.35Å
33K72.6Confident73.1Confident114 Ų11480.5 Ų80.550%0.49642%0.421SS..Hα-helixtrans-58.5-47.5174.3-73.9162.9-164.9175.50111.7S29 C30 F31 M35 L36 I37S29-K33 WeakPolarHBondContact O-CB 3.43Å; S29-K33 WeakPolarHBondContact O-CD 3.33Å; S29-K33 WeakPolarHBondContact O-CG 2.85Å; S29-K33 PolarHBondContact O-N 3.47Å; S29-K33 WeakPolarHBondContact OG-CE 3.4Å; C30-K33 WeakPolarHBondContact O-CB 3.46Å; C30-K33 PolarHBondContact O-N 3.42Å; C30-K33 VanDerWaalsContact O-N 3.13Å; F31-K33 VanDerWaalsContact C-N 3.33Å; K33-M35 PolarHBondContact O-N 3.47Å; K33-L36 PolarHBondContact O-N 3.34Å; K33-I37 VanDerWaalsContact O-CG1 3.23Å; K33-I37 WeakPolarHBondContact O-CG1 3.34Å; K33-I37 PolarHBondContact O-N 3.19Å
34Y75.9Confident75.1Confident150 Ų15074.2 Ų74.259%0.58841%0.407SS*.Hα-helixtrans-62.8-40.8178.7-69.9-66.2000112.7C30 F31 V32 L36 I37 G38C30-Y34 WeakPolarHBondContact O-CD2 2.94Å; C30-Y34 PolarHBondContact O-N 3.13Å; C30-Y34 VanDerWaalsContact O-N 3.1Å; C30-Y34 WeakPolarHBondContact SG-CE2 3.33Å; F31-Y34 PolarHBondContact O-N 3.19Å; V32-Y34 PolarHBondContact O-N 3.46Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 3.48Å; Y34-I37 PolarHBondContact O-N 3.41Å; Y34-G38 PolarHBondContact O-N 2.93Å
35M83.4Confident77.1Confident30 Ų3071.3 Ų71.315%0.14839%0.392CS..Hα-helixtrans-61.3-43174.4-174.5-169.875.100111.7F31 V32 K33 G38 L39 F81 F85F31-M35 PolarHBondContact O-N 2.84Å; V32-M35 PolarHBondContact O-N 3.28Å; K33-M35 PolarHBondContact O-N 3.47Å; M35-G38 PolarHBondContact O-N 3.34Å; M35-L39 WeakPolarHBondContact O-CB 3.19Å; M35-L39 PolarHBondContact O-N 2.94Å; M35-F81 HydrophobicContact CG-CD2 4.21Å; M35-F81 HydrophobicContact CG-CE2 4.22Å; M35-F85 HydrophobicContact SD-CB 4.45Å; M35-F85 HydrophobicContact SD-CD2 4.31Å
36L86.9Confident79Confident96 Ų9668.3 Ų68.350%0.50337%0.368SS..Hα-helixtrans-67.7-37.4177.7-68.6176.4000112.3V32 K33 Y34 L39 A40V32-L36 HydrophobicContact CG1-CD1 4Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CB 3.37Å; V32-L36 VanDerWaalsContact O-CG 3.26Å; V32-L36 WeakPolarHBondContact O-CG 3.42Å; V32-L36 PolarHBondContact O-N 3.35Å; K33-L36 PolarHBondContact O-N 3.34Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 3.48Å; L36-L39 PolarHBondContact O-N 3.1Å; L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 3.25Å
37I87.2Confident81Confident91 Ų9173.5 Ų73.547%0.46738%0.376SS..Hα-helixtrans-64.1-48.1174.4-69.1163.2000110.2K33 Y34 L39 A40 I41K33-I37 VanDerWaalsContact O-CG1 3.23Å; K33-I37 WeakPolarHBondContact O-CG1 3.34Å; K33-I37 PolarHBondContact O-N 3.19Å; Y34-I37 PolarHBondContact O-N 3.41Å; I37-L39 VanDerWaalsContact C-N 3.32Å; I37-L39 PolarHBondContact O-N 3.46Å; I37-A40 PolarHBondContact O-N 2.9Å; I37-I41 HydrophobicContact CG2-CD1 3.72Å; I37-I41 HydrophobicContact CG2-CG1 4.4Å; I37-I41 VanDerWaalsContact O-CG1 3.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.1Å
38G89.1Confident82.8Confident0 Ų070.7 Ų70.70%037%0.366CS..Hα-helixtrans-59-43.3176.700000112.2Y34 M35 I41 L42 T80Y34-G38 PolarHBondContact O-N 2.93Å; M35-G38 PolarHBondContact O-N 3.34Å; G38-I41 PolarHBondContact O-N 3.2Å; G38-L42 WeakPolarHBondContact O-CB 3.09Å; G38-L42 PolarHBondContact O-N 3.27Å; G38-T80 WeakPolarHBondContact CA-OG1 3.36Å
39L94.3Very high84.3Confident56 Ų5667.9 Ų67.929%0.29335%0.348SS..Hα-helixtrans-62.4-44.7175.1-177.360.6000112.1M35 L36 I37 L42 L43 F81M35-L39 WeakPolarHBondContact O-CB 3.19Å; M35-L39 PolarHBondContact O-N 2.94Å; L36-L39 PolarHBondContact O-N 3.1Å; I37-L39 VanDerWaalsContact C-N 3.32Å; I37-L39 PolarHBondContact O-N 3.46Å; L39-L42 PolarHBondContact O-N 2.92Å; L39-L43 HydrophobicContact CD1-CD1 4.24Å; L39-L43 HydrophobicContact CD1-CG 4.15Å; L39-L43 HydrophobicContact CG-CD1 4.05Å; L39-L43 HydrophobicContact CG-CG 4.37Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 3.17Å; L39-F81 HydrophobicContact CB-CD2 3.73Å; L39-F81 HydrophobicContact CB-CE2 4.01Å; L39-F81 HydrophobicContact CD1-CD2 4.1Å; L39-F81 HydrophobicContact CD1-CE2 3.89Å; L39-F81 HydrophobicContact CD1-CZ 4.29Å; L39-F81 HydrophobicContact CD2-CE2 4.36Å; L39-F81 HydrophobicContact CG-CD2 4.43Å; L39-F81 HydrophobicContact CG-CE2 4.31Å
40A94.2Very high85.5Confident51 Ų5171.1 Ų71.142%0.42136%0.36SS..Hα-helixtrans-62-45.7178.500000111.5L36 I37 L42 L43 V44L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 3.25Å; I37-A40 PolarHBondContact O-N 2.9Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 3.45Å; A40-L43 PolarHBondContact O-N 3.36Å; A40-V44 VanDerWaalsContact O-CG2 3.3Å; A40-V44 WeakPolarHBondContact O-CG2 3.29Å; A40-V44 PolarHBondContact O-N 3.34Å
41I92.8Very high86.5Confident56 Ų5675.8 Ų75.829%0.28738%0.377SS..Hα-helixtrans-60.4-45.3176.5-66.4168000110.5I37 G38 V44 G45 L73I37-I41 HydrophobicContact CG2-CD1 3.72Å; I37-I41 HydrophobicContact CG2-CG1 4.4Å; I37-I41 VanDerWaalsContact O-CG1 3.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.1Å; G38-I41 PolarHBondContact O-N 3.2Å; I41-V44 PolarHBondContact O-N 3.09Å; I41-G45 PolarHBondContact O-N 3.03Å; I41-L73 HydrophobicContact CG2-CB 4.35Å; I41-L73 HydrophobicContact CG2-CD2 4.14Å
42L95Very high86.7Confident35 Ų3573.1 Ų73.118%0.18337%0.365CS..Hα-helixtrans-61.6-46.6178.1179.362000111.8G38 L39 A40 V44 G45 V46 I74 F81G38-L42 WeakPolarHBondContact O-CB 3.09Å; G38-L42 PolarHBondContact O-N 3.27Å; L39-L42 PolarHBondContact O-N 2.92Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 3.45Å; L42-V44 VanDerWaalsContact C-N 3.34Å; L42-V44 PolarHBondContact O-N 3.46Å; L42-G45 PolarHBondContact O-N 3.05Å; L42-V46 HydrophobicContact CD1-CG2 4.09Å; L42-V46 HydrophobicContact CG-CG2 4.42Å; L42-V46 WeakPolarHBondContact O-CB 3.41Å; L42-V46 VanDerWaalsContact O-CG2 3.3Å; L42-V46 WeakPolarHBondContact O-CG2 3.47Å; L42-V46 PolarHBondContact O-N 3.43Å; L42-I74 HydrophobicContact CD1-CG2 4.1Å; L42-F81 HydrophobicContact CD2-CD1 4.38Å
43L95.6Very high86.3Confident106 Ų10673.1 Ų73.156%0.55537%0.365SS*.Hα-helixtrans-62.7-40.5178.9-71.5175.4000111.8L39 A40 V46 W47L39-L43 HydrophobicContact CD1-CD1 4.24Å; L39-L43 HydrophobicContact CD1-CG 4.15Å; L39-L43 HydrophobicContact CG-CD1 4.05Å; L39-L43 HydrophobicContact CG-CG 4.37Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 3.17Å; A40-L43 PolarHBondContact O-N 3.36Å; L43-V46 PolarHBondContact O-N 2.95Å; L43-W47 WeakPolarHBondContact O-CB 3.39Å; L43-W47 PolarHBondContact O-N 3.28Å
44V93.7Very high86.2Confident89 Ų8971 Ų7154%0.53936%0.364SS..Hα-helixtrans-63.5-44.9174.9171.10000111A40 I41 L42 W47 A48 L73A40-V44 VanDerWaalsContact O-CG2 3.3Å; A40-V44 WeakPolarHBondContact O-CG2 3.29Å; A40-V44 PolarHBondContact O-N 3.34Å; I41-V44 PolarHBondContact O-N 3.09Å; L42-V44 VanDerWaalsContact C-N 3.34Å; L42-V44 PolarHBondContact O-N 3.46Å; V44-W47 PolarHBondContact O-N 2.9Å; V44-A48 WeakPolarHBondContact O-CB 3.34Å; V44-A48 PolarHBondContact O-N 2.91Å; V44-L73 HydrophobicContact CG1-CD1 4.46Å
45G91.5Very high85.6Confident0 Ų071 Ų710%037%0.373CS..Hα-helixtrans-62.7-44.2177.300000112.8I41 L42 A48 Q49 I74I41-G45 PolarHBondContact O-N 3.03Å; L42-G45 PolarHBondContact O-N 3.05Å; G45-A48 PolarHBondContact O-N 3.02Å; G45-Q49 PolarHBondContact O-N 3.39Å; G45-Q49 VanDerWaalsContact O-N 3.09Å; G45-I74 VanDerWaalsContact C-CG1 3.45Å
46V92Very high84.8Confident56 Ų5674.8 Ų74.834%0.33940%0.402SS..Hα-helixtrans-65.8-44.2177.3171.20000111.1L42 L43 A48 Q49 I50 I74L42-V46 HydrophobicContact CD1-CG2 4.09Å; L42-V46 HydrophobicContact CG-CG2 4.42Å; L42-V46 WeakPolarHBondContact O-CB 3.41Å; L42-V46 VanDerWaalsContact O-CG2 3.3Å; L42-V46 WeakPolarHBondContact O-CG2 3.47Å; L42-V46 PolarHBondContact O-N 3.43Å; L43-V46 PolarHBondContact O-N 2.95Å; V46-A48 VanDerWaalsContact C-N 3.31Å; V46-A48 PolarHBondContact O-N 2.91Å; V46-Q49 PolarHBondContact O-N 2.91Å; V46-I50 HydrophobicContact CG1-CD1 3.66Å; V46-I50 HydrophobicContact CG1-CG1 4.29Å; V46-I50 VanDerWaalsContact O-CG1 3.32Å; V46-I50 WeakPolarHBondContact O-CG1 3.44Å; V46-I50 PolarHBondContact O-N 2.94Å; V46-I74 HydrophobicContact CG2-CD1 4.37Å; V46-I74 HydrophobicContact CG2-CG1 4.25Å
47W91.6Very high84Confident188 Ų18875.2 Ų75.271%0.71240%0.402SS*.Hα-helixtrans-56.2-47.3174.5-179.3-78.8000111.2L43 V44 Q49 I50 E51L43-W47 WeakPolarHBondContact O-CB 3.39Å; L43-W47 PolarHBondContact O-N 3.28Å; V44-W47 PolarHBondContact O-N 2.9Å; W47-Q49 VanDerWaalsContact C-N 3.31Å; W47-Q49 PolarHBondContact O-N 3.36Å; W47-I50 PolarHBondContact O-N 3.33Å; W47-E51 PolarHBondContact O-N 3.48Å; W47-E51 VanDerWaalsContact O-N 3.16Å
48A87.3Confident83.2Confident24 Ų2473.7 Ų73.720%0.19839%0.394CS..Hα-helixtrans-60.6-37.9178.100000112.4V44 G45 V46 K52 A70V44-A48 WeakPolarHBondContact O-CB 3.34Å; V44-A48 PolarHBondContact O-N 2.91Å; G45-A48 PolarHBondContact O-N 3.02Å; V46-A48 VanDerWaalsContact C-N 3.31Å; V46-A48 PolarHBondContact O-N 2.91Å; A48-K52 WeakPolarHBondContact O-CD 3.18Å; A48-K52 VanDerWaalsContact O-CE 3.28Å; A48-K52 WeakPolarHBondContact O-CE 3.35Å; A48-K52 WeakPolarHBondContact O-CG 3.46Å; A48-A70 HydrophobicContact CB-CB 3.91Å
49Q85Confident82.4Confident19 Ų1978 Ų789%0.08942%0.424CS..Hα-helixtrans-71-41.5176.4-75.4-60.9-26.400113G45 V46 W47 E51 K52 T53 D68 A70 W71 I74G45-Q49 PolarHBondContact O-N 3.39Å; G45-Q49 VanDerWaalsContact O-N 3.09Å; V46-Q49 PolarHBondContact O-N 2.91Å; W47-Q49 VanDerWaalsContact C-N 3.31Å; W47-Q49 PolarHBondContact O-N 3.36Å; Q49-E51 VanDerWaalsContact C-N 3.32Å; Q49-E51 PolarHBondContact O-N 2.91Å; Q49-K52 PolarHBondContact O-N 3.34Å; Q49-T53 PolarHBondContact O-N 3.06Å; Q49-T53 PolarHBondContact O-OG1 3.1Å; Q49-D68 PolarHBondContact NE2-OD2 3.44Å; Q49-A70 HydrophobicContact CG-CB 4.33Å; Q49-W71 VanDerWaalsContact NE2-CD1 3.25Å; Q49-I74 HydrophobicContact CB-CD1 4.21Å; Q49-I74 HydrophobicContact CG-CD1 3.4Å
50I84.6Confident81.2Confident118 Ų11880 Ų8061%0.60544%0.439SS*.Hα-helixtrans-61-42.9-178.8-69.8168.2000110.6V46 W47 K52V46-I50 HydrophobicContact CG1-CD1 3.66Å; V46-I50 HydrophobicContact CG1-CG1 4.29Å; V46-I50 VanDerWaalsContact O-CG1 3.32Å; V46-I50 WeakPolarHBondContact O-CG1 3.44Å; V46-I50 PolarHBondContact O-N 2.94Å; W47-I50 PolarHBondContact O-N 3.33Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 2.99Å
51E84.3Confident79.9Confident151 Ų15181.3 Ų81.371%0.70643%0.433SS*.Hα-helixtrans-64.6-31.8-179.7-165.766.7-165.900112.4W47 Q49W47-E51 PolarHBondContact O-N 3.48Å; W47-E51 VanDerWaalsContact O-N 3.16Å; Q49-E51 VanDerWaalsContact C-N 3.32Å; Q49-E51 PolarHBondContact O-N 2.91Å
52K72.1Confident79Confident58 Ų5882.3 Ų82.325%0.25244%0.438SS..Hα-helixtrans-84-23.6-175.6-67.4175.3-153.7-169.60114.6A48 Q49 I50 P54 D68 D147A48-K52 WeakPolarHBondContact O-CD 3.18Å; A48-K52 VanDerWaalsContact O-CE 3.28Å; A48-K52 WeakPolarHBondContact O-CE 3.35Å; A48-K52 WeakPolarHBondContact O-CG 3.46Å; Q49-K52 PolarHBondContact O-N 3.34Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 2.99Å; K52-P54 VanDerWaalsContact O-CD 3.26Å; K52-P54 WeakPolarHBondContact O-CD 3.25Å; K52-D68 IonicContact NZ-OD1 2.62Å; K52-D68 PolarHBondContact NZ-OD1 3.48Å; K52-D68 IonicContact NZ-OD2 3.08Å; K52-D68 PolarHBondContact NZ-OD2 3.5Å; K52-D147 WeakPolarHBondContact CD-OD2 3.26Å; K52-D147 VanDerWaalsContact CE-OD1 3.3Å; K52-D147 WeakPolarHBondContact CE-OD1 3.49Å; K52-D147 WeakPolarHBondContact CE-OD2 3.35Å; K52-D147 IonicContact NZ-OD1 3.51Å; K52-D147 PolarHBondContact NZ-OD1 2.98Å; K52-D147 VanDerWaalsContact NZ-OD1 3.08Å; K52-D147 IonicContact NZ-OD2 2.82Å; K52-D147 PolarHBondContact NZ-OD2 3.38Å
53T64.3Low78.1Confident47 Ų4786.8 Ų86.829%0.28846%0.462SS..  trans-113.2102.6-158.948.70000114.3Q49 L55Q49-T53 PolarHBondContact O-N 3.06Å; Q49-T53 PolarHBondContact O-OG1 3.1Å; T53-L55 PolarHBondContact O-N 2.98Å
54P68.6Low77.1Confident71 Ų7184.1 Ų84.146%0.46145%0.446SS..  trans-65.6125.6147.427.6-29.4000107.9K52 S56 Q57K52-P54 VanDerWaalsContact O-CD 3.26Å; K52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-S56 PolarHBondContact O-N 3.34Å; P54-Q57 PolarHBondContact O-N 3.46Å
55L65.2Low76.5Confident149 Ų14984.6 Ų84.678%0.7844%0.441SS*.G310 helixtrans-50.2-24.5-174.6-173.364.9000114T53 Q57 L58T53-L55 PolarHBondContact O-N 2.98Å; L55-Q57 VanDerWaalsContact C-N 3.27Å; L55-Q57 PolarHBondContact O-N 3.13Å; L55-L58 HydrophobicContact CD1-CD2 4.17Å; L55-L58 PolarHBondContact O-N 3.4Å
56S65.1Low76Confident109 Ų10988.2 Ų88.276%0.76246%0.456SS*.G310 helixtrans-63.6-22.1178.755.60000115P54P54-S56 PolarHBondContact O-N 3.34Å
57Q69.8Low75.4Confident106 Ų10686.1 Ų86.150%0.49544%0.443SS..G310 helixtrans-104.54.5-178-65.3-171.6-14.600114.1P54 L55 S59 T60 R61P54-Q57 PolarHBondContact O-N 3.46Å; L55-Q57 VanDerWaalsContact C-N 3.27Å; L55-Q57 PolarHBondContact O-N 3.13Å; Q57-S59 VanDerWaalsContact C-N 3.35Å; Q57-S59 PolarHBondContact O-N 3.23Å; Q57-T60 PolarHBondContact O-N 3.07Å; Q57-R61 PolarHBondContact O-N 3.05Å
58L70.4Confident75Confident59 Ų5977.6 Ų77.631%0.30941%0.411SS..Hα-helixtrans-59.6-42.3-174.4-176.661.2000112.3L55 T60 R61 L62L55-L58 HydrophobicContact CD1-CD2 4.17Å; L55-L58 PolarHBondContact O-N 3.4Å; L58-T60 PolarHBondContact O-N 2.89Å; L58-R61 PolarHBondContact O-N 3.05Å; L58-L62 HydrophobicContact CD1-CD1 4.4Å; L58-L62 HydrophobicContact CD1-CD2 4.36Å; L58-L62 HydrophobicContact CD1-CG 4.08Å; L58-L62 HydrophobicContact CG-CD1 4.01Å; L58-L62 HydrophobicContact CG-CG 4.16Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.23Å; L58-L62 PolarHBondContact O-N 3.21Å
59S72.2Confident74.7Confident90 Ų9078.2 Ų78.263%0.62941%0.413SS*.Hα-helixtrans-62.5-42.2-177.6179.20000113Q57 L62Q57-S59 VanDerWaalsContact C-N 3.35Å; Q57-S59 PolarHBondContact O-N 3.23Å; S59-L62 PolarHBondContact O-N 3.4Å
60T69.9Low74.8Confident98 Ų9877.5 Ų77.560%0.60141%0.41SS*.Hα-helixtrans-68.6-38.4178.6-49.60000111.4Q57 L58 N63Q57-T60 PolarHBondContact O-N 3.07Å; L58-T60 PolarHBondContact O-N 2.89Å; T60-N63 PolarHBondContact O-N 2.95Å
61R67.5Low75Confident78 Ų7874.7 Ų74.729%0.29439%0.392SS..Hα-helixtrans-69.9-36.1177.6-71.2-74-169.7-167.8-8.3112.3Q57 L58 N63 K64 F65 D144 D145Q57-R61 PolarHBondContact O-N 3.05Å; L58-R61 PolarHBondContact O-N 3.05Å; R61-N63 PolarHBondContact O-N 3.41Å; R61-K64 CarbonylContact O-C 3.44Å; R61-K64 WeakPolarHBondContact O-CA 3.37Å; R61-K64 PolarHBondContact O-N 3.47Å; R61-F65 PolarHBondContact O-N 3.2Å; R61-F65 VanDerWaalsContact O-N 3.16Å; R61-D144 PolarHBondContact NH1-O 3.08Å; R61-D144 PolarHBondContact NH2-O 2.98Å; R61-D145 IonicContact CZ-OD2 3.23Å; R61-D145 IonicContact NH1-OD2 3.68Å; R61-D145 PolarHBondContact NH1-OD2 3.13Å
62L72.9Confident75.2Confident78 Ų7872.1 Ų72.141%0.40838%0.382SS..Hα-helixtrans-60.8-29.1176.7-75.8176.2000112.8L58 S59 K64 F65 W71L58-L62 HydrophobicContact CD1-CD1 4.4Å; L58-L62 HydrophobicContact CD1-CD2 4.36Å; L58-L62 HydrophobicContact CD1-CG 4.08Å; L58-L62 HydrophobicContact CG-CD1 4.01Å; L58-L62 HydrophobicContact CG-CG 4.16Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.23Å; L58-L62 PolarHBondContact O-N 3.21Å; S59-L62 PolarHBondContact O-N 3.4Å; L62-K64 PolarHBondContact O-N 3.17Å; L62-F65 VanDerWaalsContact O-CD1 3.29Å; L62-F65 WeakPolarHBondContact O-CD1 3.11Å; L62-W71 HydrophobicContact CD2-CH2 3.93Å; L62-W71 HydrophobicContact CD2-CZ2 3.7Å
63N76.7Confident76Confident128 Ų12872.8 Ų72.868%0.68439%0.389SS*.THydrogen-bonded Turntrans-70.4-18.6174.4-74.2-23.4000113.5T60 R61T60-N63 PolarHBondContact O-N 2.95Å; R61-N63 PolarHBondContact O-N 3.41Å
64K75.2Confident77.4Confident50 Ų5072.1 Ų72.122%0.21738%0.383CS..THydrogen-bonded Turntrans-11822.2-178.9-61.7-175-173178.60112.2R61 L62 Y66 L67 Y141 D144R61-K64 CarbonylContact O-C 3.44Å; R61-K64 WeakPolarHBondContact O-CA 3.37Å; R61-K64 PolarHBondContact O-N 3.47Å; L62-K64 PolarHBondContact O-N 3.17Å; K64-Y66 PolarHBondContact O-N 2.93Å; K64-Y66 VanDerWaalsContact O-N 3.08Å; K64-L67 HydrophobicContact CB-CD1 4.29Å; K64-L67 PolarHBondContact O-N 3.41Å; K64-Y141 HydrophobicContact CD-CD1 4.45Å; K64-Y141 HydrophobicContact CD-CD2 4.42Å; K64-Y141 HydrophobicContact CD-CE1 4.42Å; K64-Y141 HydrophobicContact CD-CE2 4.4Å; K64-Y141 HydrophobicContact CD-CG 4.42Å; K64-D144 IonicContact NZ-OD2 2.72Å; K64-D144 PolarHBondContact NZ-OD2 2.96Å
65F81.4Confident78.5Confident100 Ų10072.7 Ų72.744%0.43938%0.381SS..G310 helixtrans-58-28.4-174.179.9-85.7000113.6R61 L62 L67 D68 W71R61-F65 PolarHBondContact O-N 3.2Å; R61-F65 VanDerWaalsContact O-N 3.16Å; L62-F65 VanDerWaalsContact O-CD1 3.29Å; L62-F65 WeakPolarHBondContact O-CD1 3.11Å; F65-L67 PolarHBondContact O-N 3.44Å; F65-D68 PolarHBondContact O-N 3.43Å; F65-W71 HydrophobicContact CB-CD2 4.38Å; F65-W71 HydrophobicContact CB-CG 4.05Å
66Y80.8Confident79.8Confident76 Ų7670.2 Ų70.230%0.29837%0.368SS..G310 helixtrans-72.2-14.9179.965.7-88.5000113.9K64 R134 D137K64-Y66 PolarHBondContact O-N 2.93Å; K64-Y66 VanDerWaalsContact O-N 3.08Å; Y66-R134 PolarHBondContact OH-NH1 2.87Å; Y66-D137 HydrophobicContact CE2-CB 4.45Å; Y66-D137 PolarHBondContact OH-OD2 3.38Å
67L78.2Confident81.2Confident12 Ų1265 Ų656%0.06333%0.332CS..G310 helixtrans-90.4-19.6177.2-65.5173.5000112.7K64 F65 P69 D137 M138 Y141 L148K64-L67 HydrophobicContact CB-CD1 4.29Å; K64-L67 PolarHBondContact O-N 3.41Å; F65-L67 PolarHBondContact O-N 3.44Å; L67-P69 WeakPolarHBondContact O-CD 3.08Å; L67-D137 HydrophobicContact CD1-CB 4.36Å; L67-D137 HydrophobicContact CD2-CB 4.1Å; L67-M138 HydrophobicContact CD2-CG 3.96Å; L67-Y141 HydrophobicContact CD1-CD2 3.41Å; L67-Y141 VanDerWaalsContact CD1-CD2 3.41Å; L67-Y141 HydrophobicContact CD1-CE2 4.16Å; L67-Y141 HydrophobicContact CD1-CG 4.13Å; L67-L148 HydrophobicContact CB-CD2 4.32Å
68D82.9Confident82.4Confident8 Ų860.7 Ų60.74%0.04332%0.315CS..  trans-94114.7-178.3176.4-0.8000110.4Q49 K52 F65 A70 W71Q49-D68 PolarHBondContact NE2-OD2 3.44Å; K52-D68 IonicContact NZ-OD1 2.62Å; K52-D68 PolarHBondContact NZ-OD1 3.48Å; K52-D68 IonicContact NZ-OD2 3.08Å; K52-D68 PolarHBondContact NZ-OD2 3.5Å; F65-D68 PolarHBondContact O-N 3.43Å; D68-A70 PolarHBondContact O-N 2.89Å; D68-A70 VanDerWaalsContact O-N 3.11Å; D68-A70 VanDerWaalsContact OD1-CB 3.3Å; D68-A70 WeakPolarHBondContact OD1-CB 3.28Å; D68-A70 PolarHBondContact OD1-N 3.33Å; D68-W71 PolarHBondContact O-N 2.85Å; D68-W71 VanDerWaalsContact O-N 3.14Å
69P82.3Confident83.5Confident38 Ų3860.8 Ų60.825%0.24732%0.318CS..Hα-helixtrans-60.6-22.4-178.524.9-34.1000113.5L67 W71 L72 L73 D147L67-P69 WeakPolarHBondContact O-CD 3.08Å; P69-W71 PolarHBondContact O-N 2.91Å; P69-L72 WeakPolarHBondContact O-CB 3.37Å; P69-L72 PolarHBondContact O-N 3.31Å; P69-L73 PolarHBondContact O-N 3.31Å; P69-D147 HydrophobicContact CG-CB 3.93Å
70A87.4Confident84.4Confident4 Ų459.3 Ų59.33%0.03331%0.305CS..Hα-helixtrans-67.3-33.7177.700000112.6A48 Q49 D68 L72 L73 I74A48-A70 HydrophobicContact CB-CB 3.91Å; Q49-A70 HydrophobicContact CG-CB 4.33Å; D68-A70 PolarHBondContact O-N 2.89Å; D68-A70 VanDerWaalsContact O-N 3.11Å; D68-A70 VanDerWaalsContact OD1-CB 3.3Å; D68-A70 WeakPolarHBondContact OD1-CB 3.28Å; D68-A70 PolarHBondContact OD1-N 3.33Å; A70-L72 VanDerWaalsContact C-N 3.33Å; A70-L72 PolarHBondContact O-N 2.83Å; A70-L73 PolarHBondContact O-N 2.9Å; A70-I74 WeakPolarHBondContact O-CG1 3.41Å; A70-I74 PolarHBondContact O-N 2.91Å
71W87.8Confident85.5Confident59 Ų5957.1 Ų57.122%0.22329%0.287CS..Hα-helixtrans-65.3-37.5173.9-81.2103.9000112Q49 L62 F65 D68 P69 L73 I74 I75Q49-W71 VanDerWaalsContact NE2-CD1 3.25Å; L62-W71 HydrophobicContact CD2-CH2 3.93Å; L62-W71 HydrophobicContact CD2-CZ2 3.7Å; F65-W71 HydrophobicContact CB-CD2 4.38Å; F65-W71 HydrophobicContact CB-CG 4.05Å; D68-W71 PolarHBondContact O-N 2.85Å; D68-W71 VanDerWaalsContact O-N 3.14Å; P69-W71 PolarHBondContact O-N 2.91Å; W71-L73 VanDerWaalsContact C-N 3.34Å; W71-L73 PolarHBondContact O-N 3.34Å; W71-I74 PolarHBondContact O-N 2.89Å; W71-I75 VanDerWaalsContact O-CG1 3.32Å; W71-I75 WeakPolarHBondContact O-CG1 3.31Å; W71-I75 PolarHBondContact O-N 3.34Å
72L87.6Confident86.8Confident96 Ų9657.1 Ų57.150%0.50329%0.292SS..Hα-helixtrans-61.7-42.5174.1-66.9176000111.5P69 A70 I74 I75 I76P69-L72 WeakPolarHBondContact O-CB 3.37Å; P69-L72 PolarHBondContact O-N 3.31Å; A70-L72 VanDerWaalsContact C-N 3.33Å; A70-L72 PolarHBondContact O-N 2.83Å; L72-I74 PolarHBondContact O-N 3.46Å; L72-I75 PolarHBondContact O-N 2.74Å; L72-I76 WeakPolarHBondContact O-CB 3.41Å; L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.28Å; L72-I76 PolarHBondContact O-N 2.86Å
73L90.4Very high87.7Confident73 Ų7355 Ų5538%0.38228%0.281SS..Hα-helixtrans-61.9-41.7174.8-66.3177.1000112.2I41 V44 P69 A70 W71 G77I41-L73 HydrophobicContact CG2-CB 4.35Å; I41-L73 HydrophobicContact CG2-CD2 4.14Å; V44-L73 HydrophobicContact CG1-CD1 4.46Å; P69-L73 PolarHBondContact O-N 3.31Å; A70-L73 PolarHBondContact O-N 2.9Å; W71-L73 VanDerWaalsContact C-N 3.34Å; W71-L73 PolarHBondContact O-N 3.34Å; L73-G77 WeakPolarHBondContact O-CA 3.49Å; L73-G77 PolarHBondContact O-N 3.47Å
74I93Very high88.3Confident32 Ų3249.4 Ų49.416%0.16425%0.254CS..Hα-helixtrans-64-46.2177.4-68.7172.5000111.1L42 G45 V46 Q49 A70 W71 L72 G78L42-I74 HydrophobicContact CD1-CG2 4.1Å; G45-I74 VanDerWaalsContact C-CG1 3.45Å; V46-I74 HydrophobicContact CG2-CD1 4.37Å; V46-I74 HydrophobicContact CG2-CG1 4.25Å; Q49-I74 HydrophobicContact CB-CD1 4.21Å; Q49-I74 HydrophobicContact CG-CD1 3.4Å; A70-I74 WeakPolarHBondContact O-CG1 3.41Å; A70-I74 PolarHBondContact O-N 2.91Å; W71-I74 PolarHBondContact O-N 2.89Å; L72-I74 PolarHBondContact O-N 3.46Å; I74-G78 WeakPolarHBondContact O-CA 3.1Å; I74-G78 PolarHBondContact O-N 3.15Å
75I92.8Very high89.1Confident83 Ų8351 Ų5143%0.42626%0.261SS..Hα-helixtrans-65.2-51-178.6-66.8166.8000110.1W71 L72 G78 V79W71-I75 VanDerWaalsContact O-CG1 3.32Å; W71-I75 WeakPolarHBondContact O-CG1 3.31Å; W71-I75 PolarHBondContact O-N 3.34Å; L72-I75 PolarHBondContact O-N 2.74Å; I75-G78 PolarHBondContact O-N 3.22Å; I75-V79 WeakPolarHBondContact O-CB 3.2Å; I75-V79 VanDerWaalsContact O-CG2 3.31Å; I75-V79 WeakPolarHBondContact O-CG2 3.39Å; I75-V79 PolarHBondContact O-N 2.96Å
76I91.9Very high89.6Confident98 Ų9846.7 Ų46.750%0.50324%0.243SC..Hα-helixtrans-65.4-47.8-178.8-65.6170.4000110.6L72 G78 T80L72-I76 WeakPolarHBondContact O-CB 3.41Å; L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.28Å; L72-I76 PolarHBondContact O-N 2.86Å; I76-G78 PolarHBondContact O-N 2.9Å; I76-T80 HydrophobicContact CG2-CG2 4.43Å; I76-T80 WeakPolarHBondContact O-CB 3.48Å; I76-T80 VanDerWaalsContact O-CG2 3.24Å; I76-T80 WeakPolarHBondContact O-CG2 3.48Å; I76-T80 PolarHBondContact O-N 3.38Å; I76-T80 PolarHBondContact O-OG1 3.49Å
77G94.5Very high90.1Very high0 Ų043.5 Ų43.50%023%0.234CC..Hα-helixtrans-61.5-41.4177.300000112.6L73 T80 F81L73-G77 WeakPolarHBondContact O-CA 3.49Å; L73-G77 PolarHBondContact O-N 3.47Å; G77-T80 WeakPolarHBondContact CA-OG1 3.43Å; G77-T80 PolarHBondContact O-OG1 2.77Å; G77-F81 WeakPolarHBondContact O-CB 3.12Å; G77-F81 PolarHBondContact O-N 3.49Å
78G95.1Very high90.5Very high14 Ų1443.3 Ų43.314%0.14423%0.233CC..Hα-helixtrans-65.6-49178.600000112.8I74 I75 I76 F81 I82I74-G78 WeakPolarHBondContact O-CA 3.1Å; I74-G78 PolarHBondContact O-N 3.15Å; I75-G78 PolarHBondContact O-N 3.22Å; I76-G78 PolarHBondContact O-N 2.9Å; G78-F81 PolarHBondContact O-N 3.48Å; G78-I82 WeakPolarHBondContact O-CB 3.29Å; G78-I82 VanDerWaalsContact O-CG1 3.26Å; G78-I82 WeakPolarHBondContact O-CG1 3.46Å; G78-I82 PolarHBondContact O-N 2.96Å
79V93.5Very high90.8Very high62 Ų6244.7 Ų44.738%0.37624%0.24SC..Hα-helixtrans-61.9-48177.7171.20000110.7I75 F81 I82 I83 L109I75-V79 WeakPolarHBondContact O-CB 3.2Å; I75-V79 VanDerWaalsContact O-CG2 3.31Å; I75-V79 WeakPolarHBondContact O-CG2 3.39Å; I75-V79 PolarHBondContact O-N 2.96Å; V79-F81 PolarHBondContact O-N 3.49Å; V79-I82 PolarHBondContact O-N 3.19Å; V79-I83 HydrophobicContact CG1-CD1 3.71Å; V79-I83 WeakPolarHBondContact O-CB 3.35Å; V79-I83 WeakPolarHBondContact O-CG1 3.4Å; V79-I83 PolarHBondContact O-N 3.46Å; V79-L109 HydrophobicContact CG1-CD1 4.29Å; V79-L109 HydrophobicContact CG1-CD2 4.45Å
80T90.3Very high91.2Very high58 Ų5842.9 Ų42.936%0.35623%0.228SC..Hα-helixtrans-63.5-40.1179.153.30000112.3G38 I76 G77 G84G38-T80 WeakPolarHBondContact CA-OG1 3.36Å; I76-T80 HydrophobicContact CG2-CG2 4.43Å; I76-T80 WeakPolarHBondContact O-CB 3.48Å; I76-T80 VanDerWaalsContact O-CG2 3.24Å; I76-T80 WeakPolarHBondContact O-CG2 3.48Å; I76-T80 PolarHBondContact O-N 3.38Å; I76-T80 PolarHBondContact O-OG1 3.49Å; G77-T80 WeakPolarHBondContact CA-OG1 3.43Å; G77-T80 PolarHBondContact O-OG1 2.77Å; T80-G84 PolarHBondContact O-N 2.77Å
81F94Very high91.2Very high53 Ų5344.1 Ų44.123%0.23224%0.239CC..Hα-helixtrans-63.4-47.4174.7175.7-106.9000112.2M35 L39 L42 G77 G78 V79 I83 G84 F85M35-F81 HydrophobicContact CG-CD2 4.21Å; M35-F81 HydrophobicContact CG-CE2 4.22Å; L39-F81 HydrophobicContact CB-CD2 3.73Å; L39-F81 HydrophobicContact CB-CE2 4.01Å; L39-F81 HydrophobicContact CD1-CD2 4.1Å; L39-F81 HydrophobicContact CD1-CE2 3.89Å; L39-F81 HydrophobicContact CD1-CZ 4.29Å; L39-F81 HydrophobicContact CD2-CE2 4.36Å; L39-F81 HydrophobicContact CG-CD2 4.43Å; L39-F81 HydrophobicContact CG-CE2 4.31Å; L42-F81 HydrophobicContact CD2-CD1 4.38Å; G77-F81 WeakPolarHBondContact O-CB 3.12Å; G77-F81 PolarHBondContact O-N 3.49Å; G78-F81 PolarHBondContact O-N 3.48Å; V79-F81 PolarHBondContact O-N 3.49Å; F81-I83 PolarHBondContact O-N 3.47Å; F81-G84 PolarHBondContact O-N 2.91Å; F81-F85 HydrophobicContact CZ-CD2 4.35Å; F81-F85 WeakPolarHBondContact O-CB 3.46Å; F81-F85 PolarHBondContact O-N 2.89Å
82I93.9Very high91.1Very high78 Ų7846 Ų4640%0.425%0.252SS..Hα-helixtrans-62.5-45.8-179.3-70.3166.6000110.9G78 V79 F85 T86 F105G78-I82 WeakPolarHBondContact O-CB 3.29Å; G78-I82 VanDerWaalsContact O-CG1 3.26Å; G78-I82 WeakPolarHBondContact O-CG1 3.46Å; G78-I82 PolarHBondContact O-N 2.96Å; V79-I82 PolarHBondContact O-N 3.19Å; I82-F85 PolarHBondContact O-N 2.93Å; I82-T86 WeakPolarHBondContact O-CB 3.41Å; I82-T86 WeakPolarHBondContact O-CG2 3.36Å; I82-T86 PolarHBondContact O-N 3.42Å; I82-T86 PolarHBondContact O-OG1 3.23Å; I82-F105 HydrophobicContact CG2-CD2 3.86Å; I82-F105 HydrophobicContact CG2-CE2 3.54Å; I82-F105 HydrophobicContact CG2-CZ 3.96Å
83I92.1Very high91.2Very high32 Ų3250.8 Ų50.816%0.16426%0.264CS..Hα-helixtrans-65.3-46.6178.4-67.6172000110.2V79 F81 F85 T86 G87 Y102 F105 V106 L109V79-I83 HydrophobicContact CG1-CD1 3.71Å; V79-I83 WeakPolarHBondContact O-CB 3.35Å; V79-I83 WeakPolarHBondContact O-CG1 3.4Å; V79-I83 PolarHBondContact O-N 3.46Å; F81-I83 PolarHBondContact O-N 3.47Å; I83-F85 PolarHBondContact O-N 2.86Å; I83-T86 PolarHBondContact O-OG1 3.49Å; I83-G87 PolarHBondContact O-N 2.94Å; I83-Y102 HydrophobicContact CG2-CD2 3.95Å; I83-Y102 HydrophobicContact CG2-CE2 3.68Å; I83-Y102 WeakPolarHBondContact O-CD2 3.36Å; I83-F105 HydrophobicContact CG1-CB 4.03Å; I83-V106 HydrophobicContact CG2-CG2 4.03Å; I83-L109 HydrophobicContact CD1-CD1 3.28Å; I83-L109 HydrophobicContact CD1-CG 4.29Å
84G89Confident91.1Very high12 Ų1250.1 Ų50.112%0.12426%0.259CS..Hα-helixtrans-60.7-43.717700000112.8T80 F81 C88T80-G84 PolarHBondContact O-N 2.77Å; F81-G84 PolarHBondContact O-N 2.91Å; G84-C88 WeakPolarHBondContact O-CB 3.31Å; G84-C88 PolarHBondContact O-N 2.99Å
85F91.4Very high91.1Very high83 Ų8351.3 Ų51.336%0.36427%0.265SS..Hα-helixtrans-65-51.7178.7177.9-94.5000111.8M35 F81 I82 I83 G87 I89M35-F85 HydrophobicContact SD-CB 4.45Å; M35-F85 HydrophobicContact SD-CD2 4.31Å; F81-F85 HydrophobicContact CZ-CD2 4.35Å; F81-F85 WeakPolarHBondContact O-CB 3.46Å; F81-F85 PolarHBondContact O-N 2.89Å; I82-F85 PolarHBondContact O-N 2.93Å; I83-F85 PolarHBondContact O-N 2.86Å; F85-G87 PolarHBondContact O-N 3.47Å; F85-I89 HydrophobicContact CD2-CG1 3.81Å; F85-I89 HydrophobicContact CE2-CG1 3.75Å; F85-I89 HydrophobicContact CG-CG1 4.33Å; F85-I89 HydrophobicContact CZ-CG1 4.2Å; F85-I89 VanDerWaalsContact O-CB 3.25Å; F85-I89 WeakPolarHBondContact O-CB 3.44Å; F85-I89 WeakPolarHBondContact O-CG1 3.48Å; F85-I89 PolarHBondContact O-N 3.06Å
86T93.1Very high91.1Very high9 Ų948.1 Ų48.16%0.05525%0.25CS..Hα-helixtrans-64.1-40.8-179.551.30000112I82 I83 G90 L98 C101 F105I82-T86 WeakPolarHBondContact O-CB 3.41Å; I82-T86 WeakPolarHBondContact O-CG2 3.36Å; I82-T86 PolarHBondContact O-N 3.42Å; I82-T86 PolarHBondContact O-OG1 3.23Å; I83-T86 PolarHBondContact O-OG1 3.49Å; T86-G90 VanDerWaalsContact O-CA 3.28Å; T86-G90 WeakPolarHBondContact O-CA 3.34Å; T86-G90 PolarHBondContact O-N 3.26Å; T86-L98 HydrophobicContact CG2-CD2 4.28Å; T86-C101 HydrophobicContact CG2-CB 4.19Å; T86-F105 HydrophobicContact CG2-CD2 4.43Å; T86-F105 HydrophobicContact CG2-CE2 4.16Å
87G89.9Confident91.2Very high10 Ų1047.3 Ų47.310%0.10325%0.252CS..Hα-helixtrans-67.1-52176.200000112.8I83 F85 A91I83-G87 PolarHBondContact O-N 2.94Å; F85-G87 PolarHBondContact O-N 3.47Å; G87-A91 WeakPolarHBondContact O-CB 3.39Å; G87-A91 PolarHBondContact O-N 3.2Å
88C87.4Confident91.3Very high7 Ų748.9 Ų48.95%0.04726%0.26CS..Hα-helixtrans-68.4-52.5-176.2-1730000112.1F31 G84 A91 L92F31-C88 HydrophobicContact CB-CB 4.45Å; G84-C88 WeakPolarHBondContact O-CB 3.31Å; G84-C88 PolarHBondContact O-N 2.99Å; C88-A91 PolarHBondContact O-N 3.33Å; C88-L92 WeakPolarHBondContact O-CB 3.46Å; C88-L92 WeakPolarHBondContact O-CG 3.23Å; C88-L92 PolarHBondContact O-N 3.31Å
89I90.3Very high91.2Very high37 Ų3748.5 Ų48.519%0.1926%0.255CS..Hα-helixtrans-70-35.2-179.4-55.8-58.1000111F85 A91 L92 R93 L98F85-I89 HydrophobicContact CD2-CG1 3.81Å; F85-I89 HydrophobicContact CE2-CG1 3.75Å; F85-I89 HydrophobicContact CG-CG1 4.33Å; F85-I89 HydrophobicContact CZ-CG1 4.2Å; F85-I89 VanDerWaalsContact O-CB 3.25Å; F85-I89 WeakPolarHBondContact O-CB 3.44Å; F85-I89 WeakPolarHBondContact O-CG1 3.48Å; F85-I89 PolarHBondContact O-N 3.06Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 3.25Å; I89-L92 PolarHBondContact O-N 3Å; I89-R93 HydrophobicContact CG2-CG 4.12Å; I89-R93 WeakPolarHBondContact O-CB 3.46Å; I89-R93 PolarHBondContact O-N 3.44Å; I89-L98 HydrophobicContact CB-CD1 4.12Å; I89-L98 HydrophobicContact CG2-CD1 3.7Å
90G90.3Very high91.2Very high0 Ų046.5 Ų46.50%025%0.245CC..Hα-helixtrans-58.9-43.6173.500000112.4T86 E94 N95T86-G90 VanDerWaalsContact O-CA 3.28Å; T86-G90 WeakPolarHBondContact O-CA 3.34Å; T86-G90 PolarHBondContact O-N 3.26Å; G90-E94 WeakPolarHBondContact O-CA 3.37Å; G90-E94 PolarHBondContact O-N 2.9Å; G90-N95 PolarHBondContact O-N 2.9Å
91A86.5Confident91.5Very high31 Ų3146 Ų4626%0.25624%0.243SC..Hα-helixtrans-72-44.7176.100000113.1G87 C88 I89 E94 L304G87-A91 WeakPolarHBondContact O-CB 3.39Å; G87-A91 PolarHBondContact O-N 3.2Å; C88-A91 PolarHBondContact O-N 3.33Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 3.25Å; A91-E94 PolarHBondContact O-N 2.92Å; A91-L304 HydrophobicContact CB-CD2 3.93Å
92L85.8Confident91.5Very high97 Ų9745 Ų4551%0.50824%0.238SC..Hα-helixtrans-66.1-39.8-178-76172.6000113.1V28 C88 I89V28-L92 HydrophobicContact CG1-CD2 4.17Å; C88-L92 WeakPolarHBondContact O-CB 3.46Å; C88-L92 WeakPolarHBondContact O-CG 3.23Å; C88-L92 PolarHBondContact O-N 3.31Å; I89-L92 PolarHBondContact O-N 3Å
93R89.2Confident91.5Very high197 Ų19742 Ų4274%0.74322%0.223SC*.THydrogen-bonded Turntrans-93.42.7-179.9-66-168173.8-170.9-0.9113.6I89 N95I89-R93 HydrophobicContact CG2-CG 4.12Å; I89-R93 WeakPolarHBondContact O-CB 3.46Å; I89-R93 PolarHBondContact O-N 3.44Å; R93-N95 HydrophobicContact CB-CB 4.29Å; R93-N95 PolarHBondContact O-N 2.69Å; R93-N95 VanDerWaalsContact O-N 3.1Å
94E89.8Confident91.7Very high59 Ų5942.9 Ų42.928%0.27624%0.236SC..THydrogen-bonded Turntrans48.639.9-174-64.4179.5176.500111.3R21 G90 A91 T96 V308R21-E94 IonicContact CZ-OE1 3.41Å; R21-E94 IonicContact NH1-OE1 2.9Å; R21-E94 PolarHBondContact NH1-OE1 3.34Å; R21-E94 IonicContact NH2-OE1 2.93Å; R21-E94 PolarHBondContact NH2-OE1 2.96Å; G90-E94 WeakPolarHBondContact O-CA 3.37Å; G90-E94 PolarHBondContact O-N 2.9Å; A91-E94 PolarHBondContact O-N 2.92Å; E94-T96 PolarHBondContact O-N 3.45Å; E94-V308 HydrophobicContact CB-CG2 3.89Å; E94-V308 HydrophobicContact CG-CG2 4.31Å
95N91.8Very high92Very high57 Ų5746.2 Ų46.231%0.30525%0.247SC..  trans-91.9102.7-176.3-174.5-20.3000109.5G90 R93 C97 L98 L99G90-N95 PolarHBondContact O-N 2.9Å; R93-N95 HydrophobicContact CB-CB 4.29Å; R93-N95 PolarHBondContact O-N 2.69Å; R93-N95 VanDerWaalsContact O-N 3.1Å; N95-C97 PolarHBondContact O-N 3.42Å; N95-C97 WeakPolarHBondContact OD1-CB 3.44Å; N95-C97 PolarHBondContact OD1-N 2.98Å; N95-L98 HydrophobicContact CB-CB 4.3Å; N95-L98 HydrophobicContact CB-CD1 4.16Å; N95-L98 HydrophobicContact CB-CG 4.34Å; N95-L98 PolarHBondContact O-N 3.25Å; N95-L98 PolarHBondContact OD1-N 3.28Å; N95-L99 PolarHBondContact O-N 3.04Å; N95-L99 VanDerWaalsContact O-N 3.07Å
96T92.6Very high92.1Very high17 Ų1742.6 Ų42.610%0.10423%0.232CC..Hα-helixtrans-61.1-28.7-177.255.20000113.6E94 A100 R305 V308 F309E94-T96 PolarHBondContact O-N 3.45Å; T96-A100 VanDerWaalsContact O-CB 3.31Å; T96-A100 WeakPolarHBondContact O-CB 3.47Å; T96-A100 PolarHBondContact O-N 3Å; T96-R305 HydrophobicContact CG2-CG 4.13Å; T96-V308 HydrophobicContact CG2-CB 3.88Å; T96-V308 HydrophobicContact CG2-CG1 3.53Å; T96-F309 HydrophobicContact CG2-CD1 4.49Å; T96-F309 HydrophobicContact CG2-CE1 4.15Å; T96-F309 HydrophobicContact CG2-CE2 4.35Å; T96-F309 HydrophobicContact CG2-CZ 4.08Å
97C95.5Very high92.2Very high80 Ų8043.1 Ų43.154%0.54124%0.239SC..Hα-helixtrans-69.2-48.2176.5177.60000111N95 L99 A100 C101N95-C97 PolarHBondContact O-N 3.42Å; N95-C97 WeakPolarHBondContact OD1-CB 3.44Å; N95-C97 PolarHBondContact OD1-N 2.98Å; C97-L99 VanDerWaalsContact C-N 3.32Å; C97-L99 PolarHBondContact O-N 2.94Å; C97-A100 WeakPolarHBondContact O-CB 3.14Å; C97-A100 PolarHBondContact O-N 3.47Å; C97-C101 PolarHBondContact O-N 3.39Å; C97-C101 PolarHBondContact O-SG 3.34Å; C97-C101 VanDerWaalsContact O-SG 3.33Å
98L94.8Very high92.5Very high34 Ų3447 Ų4718%0.17826%0.256CS..Hα-helixtrans-63.4-39.2177.4-72.5177.8000112.1T86 I89 N95 A100 C101 Y102T86-L98 HydrophobicContact CG2-CD2 4.28Å; I89-L98 HydrophobicContact CB-CD1 4.12Å; I89-L98 HydrophobicContact CG2-CD1 3.7Å; N95-L98 HydrophobicContact CB-CB 4.3Å; N95-L98 HydrophobicContact CB-CD1 4.16Å; N95-L98 HydrophobicContact CB-CG 4.34Å; N95-L98 PolarHBondContact O-N 3.25Å; N95-L98 PolarHBondContact OD1-N 3.28Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.91Å; L98-C101 WeakPolarHBondContact O-CB 3.32Å; L98-C101 PolarHBondContact O-N 2.88Å; L98-Y102 PolarHBondContact O-N 2.83Å
99L93.2Very high92.7Very high6 Ų649.3 Ų49.33%0.03127%0.268CS..Hα-helixtrans-67.5-34.5177.4-16359000112.2N95 C97 S103 A301 L304 R305N95-L99 PolarHBondContact O-N 3.04Å; N95-L99 VanDerWaalsContact O-N 3.07Å; C97-L99 VanDerWaalsContact C-N 3.32Å; C97-L99 PolarHBondContact O-N 2.94Å; L99-S103 PolarHBondContact O-N 2.75Å; L99-S103 PolarHBondContact O-OG 3.21Å; L99-A301 HydrophobicContact CD1-CB 3.56Å; L99-A301 WeakPolarHBondContact CD2-O 3.37Å; L99-A301 HydrophobicContact CG-CB 3.85Å; L99-A301 WeakPolarHBondContact CG-O 3.06Å; L99-L304 HydrophobicContact CD1-CD2 4.39Å; L99-L304 HydrophobicContact CD2-CB 3.81Å; L99-L304 HydrophobicContact CD2-CD2 3.74Å; L99-L304 HydrophobicContact CD2-CG 3.77Å; L99-R305 HydrophobicContact CD2-CB 3.95Å
100A94.9Very high92.9Very high20 Ų2049 Ų4917%0.16527%0.266CS..Hα-helixtrans-64.2-46.2170.100000111.4T96 C97 L98 Y102 S103 A104T96-A100 VanDerWaalsContact O-CB 3.31Å; T96-A100 WeakPolarHBondContact O-CB 3.47Å; T96-A100 PolarHBondContact O-N 3Å; C97-A100 WeakPolarHBondContact O-CB 3.14Å; C97-A100 PolarHBondContact O-N 3.47Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.91Å; A100-Y102 PolarHBondContact O-N 2.75Å; A100-S103 PolarHBondContact O-N 3.14Å; A100-S103 PolarHBondContact O-OG 2.93Å; A100-A104 WeakPolarHBondContact O-CB 3.13Å; A100-A104 PolarHBondContact O-N 2.93Å
101C96.1Very high93.1Very high46 Ų4654.1 Ų54.131%0.31129%0.293SS..Hα-helixtrans-59.3-45.3175.8-66.90000111.7T86 C97 L98 S103 A104 F105T86-C101 HydrophobicContact CG2-CB 4.19Å; C97-C101 PolarHBondContact O-N 3.39Å; C97-C101 PolarHBondContact O-SG 3.34Å; C97-C101 VanDerWaalsContact O-SG 3.33Å; L98-C101 WeakPolarHBondContact O-CB 3.32Å; L98-C101 PolarHBondContact O-N 2.88Å; C101-S103 PolarHBondContact O-N 2.99Å; C101-A104 PolarHBondContact O-N 3.4Å; C101-A104 VanDerWaalsContact O-N 3.16Å; C101-F105 HydrophobicContact CB-CD2 4.37Å; C101-F105 HydrophobicContact CB-CE2 4.02Å; C101-F105 WeakPolarHBondContact O-CD2 3.26Å; C101-F105 WeakPolarHBondContact O-CG 3.41Å; C101-F105 PolarHBondContact O-N 3.39Å
102Y94.2Very high93.5Very high34 Ų3457.5 Ų57.513%0.13331%0.306CS..Hα-helixtrans-54.5-51.7174.3168.8-97.9000111.3I83 L98 A100 A104 F105 V106 A301I83-Y102 HydrophobicContact CG2-CD2 3.95Å; I83-Y102 HydrophobicContact CG2-CE2 3.68Å; I83-Y102 WeakPolarHBondContact O-CD2 3.36Å; L98-Y102 PolarHBondContact O-N 2.83Å; A100-Y102 PolarHBondContact O-N 2.75Å; Y102-A104 VanDerWaalsContact C-N 3.27Å; Y102-A104 PolarHBondContact O-N 3.1Å; Y102-F105 PolarHBondContact O-N 3.17Å; Y102-V106 HydrophobicContact CD2-CG2 4.15Å; Y102-V106 HydrophobicContact CE1-CG2 4.31Å; Y102-V106 HydrophobicContact CE2-CG2 3.71Å; Y102-V106 WeakPolarHBondContact O-CG2 3.19Å; Y102-V106 PolarHBondContact O-N 2.78Å; Y102-A301 HydrophobicContact CD1-CB 3.6Å; Y102-A301 HydrophobicContact CE1-CB 3.85Å
103S93.9Very high93.7Very high13 Ų1355.3 Ų55.39%0.09129%0.293CS..Hα-helixtrans-62.3-33.8179.268.10000113.3L99 A100 C101 G107 Q302L99-S103 PolarHBondContact O-N 2.75Å; L99-S103 PolarHBondContact O-OG 3.21Å; A100-S103 PolarHBondContact O-N 3.14Å; A100-S103 PolarHBondContact O-OG 2.93Å; C101-S103 PolarHBondContact O-N 2.99Å; S103-G107 PolarHBondContact O-N 3.31Å; S103-Q302 PolarHBondContact OG-NE2 2.71Å
104A96.1Very high93.8Very high52 Ų5249.9 Ų49.943%0.4328%0.278SS..Hα-helixtrans-70.8-44.7176.600000111.5A100 C101 Y102 G107 I108A100-A104 WeakPolarHBondContact O-CB 3.13Å; A100-A104 PolarHBondContact O-N 2.93Å; C101-A104 PolarHBondContact O-N 3.4Å; C101-A104 VanDerWaalsContact O-N 3.16Å; Y102-A104 VanDerWaalsContact C-N 3.27Å; Y102-A104 PolarHBondContact O-N 3.1Å; A104-G107 PolarHBondContact O-N 3.33Å; A104-I108 VanDerWaalsContact O-CG1 3.25Å; A104-I108 WeakPolarHBondContact O-CG1 3.43Å; A104-I108 PolarHBondContact O-N 2.73Å
105F94.9Very high93.9Very high82 Ų8250.8 Ų50.836%0.3629%0.288SS..Hα-helixtrans-63.5-46.3178.1-69.2-51.4000112.2I82 I83 T86 C101 Y102 G107 I108 L109I82-F105 HydrophobicContact CG2-CD2 3.86Å; I82-F105 HydrophobicContact CG2-CE2 3.54Å; I82-F105 HydrophobicContact CG2-CZ 3.96Å; I83-F105 HydrophobicContact CG1-CB 4.03Å; T86-F105 HydrophobicContact CG2-CD2 4.43Å; T86-F105 HydrophobicContact CG2-CE2 4.16Å; C101-F105 HydrophobicContact CB-CD2 4.37Å; C101-F105 HydrophobicContact CB-CE2 4.02Å; C101-F105 WeakPolarHBondContact O-CD2 3.26Å; C101-F105 WeakPolarHBondContact O-CG 3.41Å; C101-F105 PolarHBondContact O-N 3.39Å; Y102-F105 PolarHBondContact O-N 3.17Å; F105-G107 VanDerWaalsContact C-N 3.33Å; F105-I108 PolarHBondContact O-N 3.43Å; F105-L109 PolarHBondContact O-N 2.89Å
106V93.7Very high93.8Very high7 Ų750.8 Ų50.84%0.04230%0.296CS..Hα-helixtrans-65-39.4175.5179.50000110.7I83 Y102 I108 L109 L110 E294 I298I83-V106 HydrophobicContact CG2-CG2 4.03Å; Y102-V106 HydrophobicContact CD2-CG2 4.15Å; Y102-V106 HydrophobicContact CE1-CG2 4.31Å; Y102-V106 HydrophobicContact CE2-CG2 3.71Å; Y102-V106 WeakPolarHBondContact O-CG2 3.19Å; Y102-V106 PolarHBondContact O-N 2.78Å; V106-I108 VanDerWaalsContact C-N 3.33Å; V106-I108 PolarHBondContact O-N 3.31Å; V106-L109 PolarHBondContact O-N 3.1Å; V106-L110 PolarHBondContact O-N 3.47Å; V106-E294 HydrophobicContact CG1-CB 3.77Å; V106-E294 HydrophobicContact CG1-CG 4.03Å; V106-I298 HydrophobicContact CB-CD1 4.4Å; V106-I298 HydrophobicContact CB-CG1 4.06Å; V106-I298 HydrophobicContact CG1-CD1 3.95Å; V106-I298 HydrophobicContact CG1-CG1 3.8Å
107G94.4Very high93.5Very high19 Ų1952.2 Ų52.220%0.19631%0.314CS..Hα-helixtrans-61.2-38.2174.100000113.4S103 A104 F105 L111S103-G107 PolarHBondContact O-N 3.31Å; A104-G107 PolarHBondContact O-N 3.33Å; F105-G107 VanDerWaalsContact C-N 3.33Å; G107-L111 WeakPolarHBondContact O-CG 3.38Å; G107-L111 PolarHBondContact O-N 2.89Å; G107-L111 VanDerWaalsContact O-N 3.13Å
108I96.1Very high93.1Very high91 Ų9153.6 Ų53.647%0.46732%0.315SS..Hα-helixtrans-66.3-42.8174.5-70163.8000110.7A104 F105 V106 L111 I112A104-I108 VanDerWaalsContact O-CG1 3.25Å; A104-I108 WeakPolarHBondContact O-CG1 3.43Å; A104-I108 PolarHBondContact O-N 2.73Å; F105-I108 PolarHBondContact O-N 3.43Å; V106-I108 VanDerWaalsContact C-N 3.33Å; V106-I108 PolarHBondContact O-N 3.31Å; I108-L111 PolarHBondContact O-N 3.36Å; I108-I112 HydrophobicContact CG2-CD1 3.84Å; I108-I112 HydrophobicContact CG2-CG1 4.45Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 3.21Å
109L93.6Very high92.9Very high57 Ų5755.9 Ų55.930%0.29833%0.327SS..Hα-helixtrans-60.6-44.7176-73.9-176.1000112.1V79 I83 F105 V106 L111 I112 E113V79-L109 HydrophobicContact CG1-CD1 4.29Å; V79-L109 HydrophobicContact CG1-CD2 4.45Å; I83-L109 HydrophobicContact CD1-CD1 3.28Å; I83-L109 HydrophobicContact CD1-CG 4.29Å; F105-L109 PolarHBondContact O-N 2.89Å; V106-L109 PolarHBondContact O-N 3.1Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 3.45Å; L109-I112 CarbonylContact O-C 3.57Å; L109-I112 WeakPolarHBondContact O-CA 3.27Å; L109-I112 WeakPolarHBondContact O-CB 3.3Å; L109-I112 PolarHBondContact O-N 3.41Å; L109-I112 VanDerWaalsContact O-N 3.08Å; L109-E113 PolarHBondContact O-N 2.94Å
110L93.1Very high92.4Very high29 Ų2956.9 Ų56.915%0.15234%0.339CS..Hα-helixtrans-57.5-43.7175.9-173.8117000111.7V106 E113 L114 V291 E294 I295V106-L110 PolarHBondContact O-N 3.47Å; L110-E113 PolarHBondContact O-N 3Å; L110-L114 HydrophobicContact CD2-CD1 4.06Å; L110-L114 HydrophobicContact CG-CD1 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.34Å; L110-L114 VanDerWaalsContact O-CG 3.26Å; L110-L114 WeakPolarHBondContact O-CG 3.29Å; L110-L114 PolarHBondContact O-N 2.95Å; L110-V291 HydrophobicContact CD1-CG1 4.06Å; L110-E294 VanDerWaalsContact CA-OE2 3.26Å; L110-E294 WeakPolarHBondContact CA-OE2 3.35Å; L110-E294 VanDerWaalsContact CB-OE2 3.27Å; L110-E294 WeakPolarHBondContact CB-OE2 3.45Å; L110-E294 HydrophobicContact CD1-CB 3.95Å; L110-E294 WeakPolarHBondContact CD1-OE2 3.43Å; L110-I295 HydrophobicContact CD1-CD1 4.47Å; L110-I295 HydrophobicContact CD1-CG1 3.9Å
111L95.1Very high91.8Very high109 Ų10961.6 Ų61.657%0.57136%0.356SS*.Hα-helixtrans-65-39176.1-69.2173.9000112.3G107 I108 L109 T115G107-L111 WeakPolarHBondContact O-CG 3.38Å; G107-L111 PolarHBondContact O-N 2.89Å; G107-L111 VanDerWaalsContact O-N 3.13Å; I108-L111 PolarHBondContact O-N 3.36Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 3.45Å; L111-T115 VanDerWaalsContact O-CB 3.28Å; L111-T115 WeakPolarHBondContact O-CB 3.15Å; L111-T115 PolarHBondContact O-N 3.34Å; L111-T115 PolarHBondContact O-OG1 2.94Å
112I94.9Very high91.5Very high101 Ų10163.7 Ų63.752%0.51837%0.367SS..Hα-helixtrans-64.9-44.9175.3-69.4167.8000110.2I108 L109 T115 A116I108-I112 HydrophobicContact CG2-CD1 3.84Å; I108-I112 HydrophobicContact CG2-CG1 4.45Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 3.21Å; L109-I112 CarbonylContact O-C 3.57Å; L109-I112 WeakPolarHBondContact O-CA 3.27Å; L109-I112 WeakPolarHBondContact O-CB 3.3Å; L109-I112 PolarHBondContact O-N 3.41Å; L109-I112 VanDerWaalsContact O-N 3.08Å; I112-T115 PolarHBondContact O-N 3.46Å; I112-A116 WeakPolarHBondContact O-CB 3.38Å; I112-A116 PolarHBondContact O-N 3.41Å
113E90.8Very high91.2Very high52 Ų5267 Ų6724%0.24338%0.382CS..Hα-helixtrans-62-47.6179.1-174.5178.8-178.600111.4L109 L110 T115 A116 G117 I290L109-E113 PolarHBondContact O-N 2.94Å; L110-E113 PolarHBondContact O-N 3Å; E113-T115 PolarHBondContact O-N 2.75Å; E113-A116 PolarHBondContact O-N 2.88Å; E113-G117 PolarHBondContact O-N 3.34Å; E113-I290 WeakPolarHBondContact OE2-CG2 3.41Å
114L90.9Very high90.6Very high83 Ų8369.9 Ų69.944%0.43539%0.393SS..Hα-helixtrans-61.5-44.7177.1-68.7174.7000111.5L110 G117 I118L110-L114 HydrophobicContact CD2-CD1 4.06Å; L110-L114 HydrophobicContact CG-CD1 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.34Å; L110-L114 VanDerWaalsContact O-CG 3.26Å; L110-L114 WeakPolarHBondContact O-CG 3.29Å; L110-L114 PolarHBondContact O-N 2.95Å; L114-G117 PolarHBondContact O-N 3.02Å; L114-I118 WeakPolarHBondContact O-CD1 3.35Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.16Å
115T92.2Very high89.9Confident77 Ų7772 Ų7247%0.47240%0.397SS..Hα-helixtrans-65.3-45.2178.6-55.70000111L111 I112 E113 G117 I118 L119L111-T115 VanDerWaalsContact O-CB 3.28Å; L111-T115 WeakPolarHBondContact O-CB 3.15Å; L111-T115 PolarHBondContact O-N 3.34Å; L111-T115 PolarHBondContact O-OG1 2.94Å; I112-T115 PolarHBondContact O-N 3.46Å; E113-T115 PolarHBondContact O-N 2.75Å; T115-G117 VanDerWaalsContact C-N 3.34Å; T115-G117 PolarHBondContact O-N 2.87Å; T115-I118 PolarHBondContact O-N 3.44Å; T115-L119 HydrophobicContact CG2-CD1 3.81Å; T115-L119 HydrophobicContact CG2-CG 4.16Å; T115-L119 WeakPolarHBondContact O-CB 3.26Å; T115-L119 VanDerWaalsContact O-CG 3.26Å; T115-L119 WeakPolarHBondContact O-CG 3.39Å; T115-L119 PolarHBondContact O-N 3.26Å
116A89.6Confident89.6Confident57 Ų5775.5 Ų75.547%0.47141%0.408SS..Hα-helixtrans-63.4-39.1177.500000111.7I112 E113 G120I112-A116 WeakPolarHBondContact O-CB 3.38Å; I112-A116 PolarHBondContact O-N 3.41Å; E113-A116 PolarHBondContact O-N 2.88Å; A116-G120 WeakPolarHBondContact O-CA 3.24Å; A116-G120 PolarHBondContact O-N 3Å
117G84.4Confident89Confident48 Ų4878.7 Ų78.750%0.49543%0.425SS..Hα-helixtrans-63-46.2174.300000112.5E113 L114 T115 F121E113-G117 PolarHBondContact O-N 3.34Å; L114-G117 PolarHBondContact O-N 3.02Å; T115-G117 VanDerWaalsContact C-N 3.34Å; T115-G117 PolarHBondContact O-N 2.87Å; G117-F121 PolarHBondContact O-N 2.94Å; G117-F121 VanDerWaalsContact O-N 3.11Å
118I88.8Confident88.2Confident109 Ų10980.2 Ų80.256%0.55943%0.426SS*.Hα-helixtrans-64.5-50.9177.2-65.7163.8000110.7L114 T115 G120 F121 V122L114-I118 WeakPolarHBondContact O-CD1 3.35Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.16Å; T115-I118 PolarHBondContact O-N 3.44Å; I118-G120 VanDerWaalsContact C-N 3.31Å; I118-G120 PolarHBondContact O-N 3.32Å; I118-F121 PolarHBondContact O-N 2.94Å; I118-V122 HydrophobicContact CG2-CG2 4.24Å; I118-V122 WeakPolarHBondContact O-CG2 3.37Å; I118-V122 PolarHBondContact O-N 3.02Å
119L89.3Confident87.5Confident82 Ų8277.5 Ų77.543%0.42942%0.42SS..Hα-helixtrans-63.7-38.6179.6-68.4179.4000111.7T115 F121 V122 F123T115-L119 HydrophobicContact CG2-CD1 3.81Å; T115-L119 HydrophobicContact CG2-CG 4.16Å; T115-L119 WeakPolarHBondContact O-CB 3.26Å; T115-L119 VanDerWaalsContact O-CG 3.26Å; T115-L119 WeakPolarHBondContact O-CG 3.39Å; T115-L119 PolarHBondContact O-N 3.26Å; L119-F121 VanDerWaalsContact C-N 3.27Å; L119-F121 PolarHBondContact O-N 3.22Å; L119-V122 PolarHBondContact O-N 2.88Å; L119-F123 HydrophobicContact CB-CD2 4.43Å; L119-F123 HydrophobicContact CD2-CD2 3.69Å; L119-F123 HydrophobicContact CD2-CE2 3.58Å; L119-F123 WeakPolarHBondContact O-CB 3.5Å; L119-F123 PolarHBondContact O-N 3.41Å
120G83.6Confident87.1Confident27 Ų2778 Ų7828%0.27842%0.421SS..Hα-helixtrans-56.1-41.2174.100000112.7A116 I118 K124A116-G120 WeakPolarHBondContact O-CA 3.24Å; A116-G120 PolarHBondContact O-N 3Å; I118-G120 VanDerWaalsContact C-N 3.31Å; I118-G120 PolarHBondContact O-N 3.32Å; G120-K124 WeakPolarHBondContact O-CA 3.07Å; G120-K124 WeakPolarHBondContact O-CB 3.49Å
121F81.8Confident86.7Confident118 Ų11881.3 Ų81.352%0.51844%0.438SS..Hα-helixtrans-77.2-46.3178.4-175-100000112.8G117 I118 L119 F280G117-F121 PolarHBondContact O-N 2.94Å; G117-F121 VanDerWaalsContact O-N 3.11Å; I118-F121 PolarHBondContact O-N 2.94Å; L119-F121 VanDerWaalsContact C-N 3.27Å; L119-F121 PolarHBondContact O-N 3.22Å; F121-F280 AromaticContact CD2-CE2 3.96Å; F121-F280 HydrophobicContact CD2-CE2 3.96Å; F121-F280 HydrophobicContact CE2-CE2 4.03Å
122V89.3Confident86Confident90 Ų9079.5 Ų79.555%0.54543%0.427SS..Hα-helixtrans-71.3-42.8-175.4174.20000111.9I118 L119I118-V122 HydrophobicContact CG2-CG2 4.24Å; I118-V122 WeakPolarHBondContact O-CG2 3.37Å; I118-V122 PolarHBondContact O-N 3.02Å; L119-V122 PolarHBondContact O-N 2.88Å
123F89.3Confident85.5Confident104 Ų10477.3 Ų77.346%0.45642%0.421SS..THydrogen-bonded Turntrans-105.729.2-174.1-62.4-73.7000112.8L119 D125 W126 L127L119-F123 HydrophobicContact CB-CD2 4.43Å; L119-F123 HydrophobicContact CD2-CD2 3.69Å; L119-F123 HydrophobicContact CD2-CE2 3.58Å; L119-F123 WeakPolarHBondContact O-CB 3.5Å; L119-F123 PolarHBondContact O-N 3.41Å; F123-D125 VanDerWaalsContact C-N 3.3Å; F123-D125 PolarHBondContact O-N 2.82Å; F123-W126 HydrophobicContact CB-CB 4.4Å; F123-W126 PolarHBondContact O-N 3.29Å; F123-W126 VanDerWaalsContact O-N 3.09Å; F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 WeakPolarHBondContact O-CG 3.25Å; F123-L127 PolarHBondContact O-N 2.74Å
124K80.7Confident85.3Confident73 Ų7380 Ų8032%0.31743%0.428SS..Hα-helixtrans-53.3-42.3-17575.1-167.4-165.7171.80113.7G120 K128 L273G120-K124 WeakPolarHBondContact O-CA 3.07Å; G120-K124 WeakPolarHBondContact O-CB 3.49Å; K124-K128 VanDerWaalsContact O-CB 3.27Å; K124-K128 WeakPolarHBondContact O-CB 3.41Å; K124-K128 PolarHBondContact O-N 3.32Å; K124-L273 HydrophobicContact CB-CD2 3.62Å; K124-L273 HydrophobicContact CD-CD2 3.35Å; K124-L273 HydrophobicContact CG-CD2 3.42Å; K124-L273 VanDerWaalsContact CG-CD2 3.42Å
125D81.6Confident85.2Confident96 Ų9677.4 Ų77.451%0.51342%0.415SS..Hα-helixtrans-74.7-31.8-178.7-62.1-53.7000112.4F123 K128 G129F123-D125 VanDerWaalsContact C-N 3.3Å; F123-D125 PolarHBondContact O-N 2.82Å; D125-K128 WeakPolarHBondContact O-CB 3.27Å; D125-G129 PolarHBondContact O-N 2.95Å
126W87.9Confident85.2Confident157 Ų15776 Ų7660%0.59540%0.404SS*.Hα-helixtrans-72.4-44.6173.7179.884.7000111.1F123 K128 G129 Q130F123-W126 HydrophobicContact CB-CB 4.4Å; F123-W126 PolarHBondContact O-N 3.29Å; F123-W126 VanDerWaalsContact O-N 3.09Å; W126-K128 VanDerWaalsContact C-N 3.25Å; W126-K128 PolarHBondContact O-N 3.16Å; W126-G129 PolarHBondContact O-N 3.28Å; W126-Q130 HydrophobicContact CD2-CG 3.89Å; W126-Q130 HydrophobicContact CE3-CG 3.97Å; W126-Q130 HydrophobicContact CH2-CG 3.7Å; W126-Q130 HydrophobicContact CZ2-CG 3.58Å; W126-Q130 HydrophobicContact CZ3-CG 3.88Å; W126-Q130 WeakPolarHBondContact O-CG 3.26Å; W126-Q130 PolarHBondContact O-N 2.9Å
127L82.4Confident85.2Confident74 Ų7474.3 Ų74.339%0.38739%0.388SS..Hα-helixtrans-58.9-38.5175.5-77.8169.8000112F123 Q130 L131F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 WeakPolarHBondContact O-CG 3.25Å; F123-L127 PolarHBondContact O-N 2.74Å; L127-Q130 PolarHBondContact O-N 3.41Å; L127-L131 VanDerWaalsContact O-CB 3.27Å; L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 PolarHBondContact O-N 2.97Å
128K76.7Confident85.5Confident51 Ų5174.3 Ų74.322%0.22238%0.375CS..Hα-helixtrans-56.1-52.5173.4175.4-174.9157.2147.80112.2K124 D125 W126 L131 E132 L269 L273K124-K128 VanDerWaalsContact O-CB 3.27Å; K124-K128 WeakPolarHBondContact O-CB 3.41Å; K124-K128 PolarHBondContact O-N 3.32Å; D125-K128 WeakPolarHBondContact O-CB 3.27Å; W126-K128 VanDerWaalsContact C-N 3.25Å; W126-K128 PolarHBondContact O-N 3.16Å; K128-L131 PolarHBondContact O-N 3.48Å; K128-E132 PolarHBondContact O-N 2.91Å; K128-L269 HydrophobicContact CD-CB 4.49Å; K128-L269 HydrophobicContact CD-CD1 4.28Å; K128-L269 HydrophobicContact CD-CD2 3.66Å; K128-L269 HydrophobicContact CD-CG 3.45Å; K128-L269 VanDerWaalsContact CD-CG 3.45Å; K128-L269 HydrophobicContact CG-CD1 3.89Å; K128-L269 HydrophobicContact CG-CD2 3.28Å; K128-L269 HydrophobicContact CG-CG 3.43Å; K128-L269 VanDerWaalsContact CG-CG 3.43Å; K128-L273 HydrophobicContact CD-CD1 4.04Å
129G82Confident85.8Confident33 Ų3369.2 Ų69.234%0.3435%0.349SS..Hα-helixtrans-66.7-35.8177.800000113.2D125 W126 S133D125-G129 PolarHBondContact O-N 2.95Å; W126-G129 PolarHBondContact O-N 3.28Å; G129-S133 PolarHBondContact O-N 3.31Å; G129-S133 VanDerWaalsContact O-N 3.11Å
130Q85.7Confident86Confident68 Ų6868 Ų6832%0.31834%0.342SS..Hα-helixtrans-63.4-45.2172-69.2-58.9-59.800111.3W126 L127 S133 R134W126-Q130 HydrophobicContact CD2-CG 3.89Å; W126-Q130 HydrophobicContact CE3-CG 3.97Å; W126-Q130 HydrophobicContact CH2-CG 3.7Å; W126-Q130 HydrophobicContact CZ2-CG 3.58Å; W126-Q130 HydrophobicContact CZ3-CG 3.88Å; W126-Q130 WeakPolarHBondContact O-CG 3.26Å; W126-Q130 PolarHBondContact O-N 2.9Å; L127-Q130 PolarHBondContact O-N 3.41Å; Q130-S133 PolarHBondContact O-N 3.32Å; Q130-R134 VanDerWaalsContact O-CG 3.27Å; Q130-R134 WeakPolarHBondContact O-CG 3.42Å; Q130-R134 PolarHBondContact O-N 2.94Å
131L82.9Confident86.4Confident99 Ų9969.8 Ų69.852%0.51834%0.341SS..Hα-helixtrans-63.3-44.8-179.6-176.561.7000111.3L127 K128 S133 R134 L135L127-L131 VanDerWaalsContact O-CB 3.27Å; L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 PolarHBondContact O-N 2.97Å; K128-L131 PolarHBondContact O-N 3.48Å; L131-S133 PolarHBondContact O-N 2.82Å; L131-R134 PolarHBondContact O-N 2.89Å; L131-L135 HydrophobicContact CD1-CG 4.39Å; L131-L135 HydrophobicContact CG-CD1 4.13Å; L131-L135 HydrophobicContact CG-CG 4.41Å; L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 VanDerWaalsContact O-CG 3.23Å; L131-L135 WeakPolarHBondContact O-CG 3.19Å; L131-L135 PolarHBondContact O-N 2.79Å
132E81.3Confident86.9Confident70 Ų7064.2 Ų64.233%0.32732%0.317SS..Hα-helixtrans-56.7-49.1174.3-73.5-178.1149.100111.3K128 R134 L135 D136 L269K128-E132 PolarHBondContact O-N 2.91Å; E132-R134 VanDerWaalsContact C-N 3.3Å; E132-R134 PolarHBondContact O-N 2.67Å; E132-L135 WeakPolarHBondContact O-CB 3.33Å; E132-L135 PolarHBondContact O-N 3.45Å; E132-L135 VanDerWaalsContact O-N 3.1Å; E132-D136 PolarHBondContact O-N 2.86Å; E132-L269 VanDerWaalsContact CD-CD2 3.46Å; E132-L269 HydrophobicContact CG-CD2 4.02Å; E132-L269 WeakPolarHBondContact OE1-CD2 3.25Å
133S85Confident87Confident56 Ų5664 Ų6439%0.39231%0.306SS..Hα-helixtrans-61-35.7176.7176.70000113.2G129 Q130 L131 D136 D137G129-S133 PolarHBondContact O-N 3.31Å; G129-S133 VanDerWaalsContact O-N 3.11Å; Q130-S133 PolarHBondContact O-N 3.32Å; L131-S133 PolarHBondContact O-N 2.82Å; S133-D136 PolarHBondContact O-N 3.49Å; S133-D137 PolarHBondContact O-N 2.88Å
134R86Confident86.9Confident108 Ų10861.8 Ų61.841%0.40830%0.299SS..Hα-helixtrans-74.6-27.4176-65.2-54.1174.7-164.8-2.9113.1Y66 Q130 L131 E132 D137Y66-R134 PolarHBondContact OH-NH1 2.87Å; Q130-R134 VanDerWaalsContact O-CG 3.27Å; Q130-R134 WeakPolarHBondContact O-CG 3.42Å; Q130-R134 PolarHBondContact O-N 2.94Å; L131-R134 PolarHBondContact O-N 2.89Å; E132-R134 VanDerWaalsContact C-N 3.3Å; E132-R134 PolarHBondContact O-N 2.67Å; R134-D137 IonicContact NH1-OD2 2.76Å; R134-D137 PolarHBondContact NH1-OD2 2.98Å; R134-D137 WeakPolarHBondContact O-CB 3.15Å
135L89.2Confident87Confident28 Ų2858.9 Ų58.915%0.14729%0.287CS..Hα-helixtrans-72.1-36.8172.7-71.2171.6000110.7L131 E132 D137 M138 I165 L230L131-L135 HydrophobicContact CD1-CG 4.39Å; L131-L135 HydrophobicContact CG-CD1 4.13Å; L131-L135 HydrophobicContact CG-CG 4.41Å; L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 VanDerWaalsContact O-CG 3.23Å; L131-L135 WeakPolarHBondContact O-CG 3.19Å; L131-L135 PolarHBondContact O-N 2.79Å; E132-L135 WeakPolarHBondContact O-CB 3.33Å; E132-L135 PolarHBondContact O-N 3.45Å; E132-L135 VanDerWaalsContact O-N 3.1Å; L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 2.96Å; L135-M138 HydrophobicContact CD2-CE 4.06Å; L135-M138 HydrophobicContact CD2-SD 3.92Å; L135-M138 VanDerWaalsContact O-CB 3.26Å; L135-M138 WeakPolarHBondContact O-CB 3.44Å; L135-M138 PolarHBondContact O-N 3.47Å; L135-M138 VanDerWaalsContact O-N 3.11Å; L135-I165 HydrophobicContact CB-CD1 3.98Å; L135-I165 HydrophobicContact CB-CG1 4.15Å; L135-I165 HydrophobicContact CB-CG2 3.95Å; L135-I165 HydrophobicContact CD1-CG2 4.11Å; L135-L230 HydrophobicContact CD1-CD1 3.9Å; L135-L230 HydrophobicContact CD1-CD2 4.45Å
136D91.3Very high87.3Confident48 Ų4858 Ų5826%0.25729%0.286SS..Hα-helixtrans-62-38.8173.6-68.3-19.1000111.7E132 S133 M138 I139 I140 L173E132-D136 PolarHBondContact O-N 2.86Å; S133-D136 PolarHBondContact O-N 3.49Å; D136-M138 PolarHBondContact O-N 3.27Å; D136-M138 VanDerWaalsContact O-N 3.16Å; D136-I139 PolarHBondContact O-N 2.95Å; D136-I140 WeakPolarHBondContact O-CG1 3.43Å; D136-I140 PolarHBondContact O-N 3.26Å; D136-L173 HydrophobicContact CB-CD1 4.13Å
137D90.9Very high87.2Confident22 Ų2252.8 Ų52.812%0.11827%0.27CS..Hα-helixtrans-54.5-33.7174.5-73-34.3000111.8Y66 L67 S133 R134 L135 I139 I140 Y141Y66-D137 HydrophobicContact CE2-CB 4.45Å; Y66-D137 PolarHBondContact OH-OD2 3.38Å; L67-D137 HydrophobicContact CD1-CB 4.36Å; L67-D137 HydrophobicContact CD2-CB 4.1Å; S133-D137 PolarHBondContact O-N 2.88Å; R134-D137 IonicContact NH1-OD2 2.76Å; R134-D137 PolarHBondContact NH1-OD2 2.98Å; R134-D137 WeakPolarHBondContact O-CB 3.15Å; L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 2.96Å; D137-I139 VanDerWaalsContact C-N 3.34Å; D137-I139 PolarHBondContact O-N 2.81Å; D137-I140 PolarHBondContact O-N 3.5Å; D137-Y141 HydrophobicContact CB-CD2 4.2Å; D137-Y141 HydrophobicContact CB-CE2 4.3Å; D137-Y141 WeakPolarHBondContact O-CB 3.29Å; D137-Y141 WeakPolarHBondContact O-CD2 3.4Å; D137-Y141 PolarHBondContact O-N 3.03Å
138M90.6Very high87.5Confident47 Ų4749.4 Ų49.423%0.23225%0.252CS..Hα-helixtrans-64.2-38.2177.4-59.7-175.5177.300112.1L67 L135 D136 Y142 L148 I152L67-M138 HydrophobicContact CD2-CG 3.96Å; L135-M138 HydrophobicContact CD2-CE 4.06Å; L135-M138 HydrophobicContact CD2-SD 3.92Å; L135-M138 VanDerWaalsContact O-CB 3.26Å; L135-M138 WeakPolarHBondContact O-CB 3.44Å; L135-M138 PolarHBondContact O-N 3.47Å; L135-M138 VanDerWaalsContact O-N 3.11Å; D136-M138 PolarHBondContact O-N 3.27Å; D136-M138 VanDerWaalsContact O-N 3.16Å; M138-Y142 PolarHBondContact O-N 3.47Å; M138-L148 HydrophobicContact CB-CD1 4.32Å; M138-L148 HydrophobicContact CG-CD1 4.37Å; M138-I152 HydrophobicContact CB-CD1 3.98Å; M138-I152 WeakPolarHBondContact O-CD1 3.5Å
139I94.3Very high88.2Confident2 Ų248.8 Ų48.81%0.0125%0.251CS..Hα-helixtrans-75.6-44.2176.9-60.2-61.4000110.5D136 D137 Y141 Y142 I165 D170 W171 L173 N174D136-I139 PolarHBondContact O-N 2.95Å; D137-I139 VanDerWaalsContact C-N 3.34Å; D137-I139 PolarHBondContact O-N 2.81Å; I139-Y141 VanDerWaalsContact C-N 3.28Å; I139-Y141 PolarHBondContact O-N 2.81Å; I139-Y142 WeakPolarHBondContact O-CB 3.39Å; I139-Y142 PolarHBondContact O-N 2.95Å; I139-I165 HydrophobicContact CD1-CD1 4.33Å; I139-I165 HydrophobicContact CD1-CG1 4.42Å; I139-I165 HydrophobicContact CG1-CD1 4.09Å; I139-I165 HydrophobicContact CG1-CG1 3.8Å; I139-D170 WeakPolarHBondContact CG2-O 3.42Å; I139-W171 HydrophobicContact CD1-CH2 3.83Å; I139-W171 HydrophobicContact CD1-CZ2 3.89Å; I139-W171 HydrophobicContact CD1-CZ3 4.19Å; I139-W171 HydrophobicContact CG2-CD2 4.29Å; I139-W171 HydrophobicContact CG2-CE3 3.8Å; I139-W171 HydrophobicContact CG2-CZ3 4.02Å; I139-L173 HydrophobicContact CG2-CB 4.3Å; I139-N174 HydrophobicContact CG2-CB 4.2Å; I139-N174 WeakPolarHBondContact O-CB 3.13Å; I139-N174 PolarHBondContact O-ND2 2.89Å
140I94Very high88.7Confident56 Ų5651 Ų5129%0.28726%0.26SS..Hα-helixtrans-56.7-44.5180-66.6167000110.5D136 D137 L173 N174D136-I140 WeakPolarHBondContact O-CG1 3.43Å; D136-I140 PolarHBondContact O-N 3.26Å; D137-I140 PolarHBondContact O-N 3.5Å; I140-L173 HydrophobicContact CG1-CB 4.03Å; I140-N174 PolarHBondContact O-ND2 2.89Å; I140-N174 VanDerWaalsContact O-ND2 3.14Å
141Y91.8Very high89Confident66 Ų6651.4 Ų51.426%0.25926%0.261SS..THydrogen-bonded Turntrans-98.213.2-175.4-60.2-56.3000114.7K64 L67 D137 I139 R143 D144K64-Y141 HydrophobicContact CD-CD1 4.45Å; K64-Y141 HydrophobicContact CD-CD2 4.42Å; K64-Y141 HydrophobicContact CD-CE1 4.42Å; K64-Y141 HydrophobicContact CD-CE2 4.4Å; K64-Y141 HydrophobicContact CD-CG 4.42Å; L67-Y141 HydrophobicContact CD1-CD2 3.41Å; L67-Y141 VanDerWaalsContact CD1-CD2 3.41Å; L67-Y141 HydrophobicContact CD1-CE2 4.16Å; L67-Y141 HydrophobicContact CD1-CG 4.13Å; D137-Y141 HydrophobicContact CB-CD2 4.2Å; D137-Y141 HydrophobicContact CB-CE2 4.3Å; D137-Y141 WeakPolarHBondContact O-CB 3.29Å; D137-Y141 WeakPolarHBondContact O-CD2 3.4Å; D137-Y141 PolarHBondContact O-N 3.03Å; I139-Y141 VanDerWaalsContact C-N 3.28Å; I139-Y141 PolarHBondContact O-N 2.81Å; Y141-R143 PolarHBondContact O-N 3.41Å; Y141-D144 WeakPolarHBondContact CD1-OD2 3.4Å; Y141-D144 WeakPolarHBondContact O-CB 3.21Å; Y141-D144 PolarHBondContact O-N 3.43Å
142Y92.8Very high89.5Confident0 Ų047.1 Ų47.10%024%0.239CC..THydrogen-bonded Turntrans-49.4-34.2-177.3171.4-99.9000114.6M138 I139 Q149 I152 D153 W171 F177 P193M138-Y142 PolarHBondContact O-N 3.47Å; I139-Y142 WeakPolarHBondContact O-CB 3.39Å; I139-Y142 PolarHBondContact O-N 2.95Å; Y142-Q149 HydrophobicContact CD1-CG 4.3Å; Y142-Q149 HydrophobicContact CD2-CG 3.99Å; Y142-Q149 HydrophobicContact CE1-CG 3.77Å; Y142-Q149 HydrophobicContact CE2-CB 4.31Å; Y142-Q149 HydrophobicContact CE2-CG 3.43Å; Y142-Q149 VanDerWaalsContact CE2-CG 3.43Å; Y142-Q149 HydrophobicContact CG-CG 4.39Å; Y142-Q149 WeakPolarHBondContact O-CB 3.37Å; Y142-Q149 WeakPolarHBondContact O-CG 3.31Å; Y142-Q149 WeakPolarHBondContact OH-CG 3.48Å; Y142-Q149 PolarHBondContact OH-NE2 3.29Å; Y142-Q149 VanDerWaalsContact OH-NE2 3.1Å; Y142-I152 HydrophobicContact CD2-CB 4.02Å; Y142-I152 HydrophobicContact CD2-CD1 3.77Å; Y142-I152 HydrophobicContact CD2-CG2 3.9Å; Y142-I152 HydrophobicContact CE2-CB 4.1Å; Y142-I152 HydrophobicContact CE2-CG2 3.94Å; Y142-D153 WeakPolarHBondContact CE2-OD1 3.34Å; Y142-D153 VanDerWaalsContact OH-CG 3.27Å; Y142-D153 PolarHBondContact OH-OD1 2.9Å; Y142-D153 PolarHBondContact OH-OD2 3.44Å; Y142-W171 HydrophobicContact CD1-CH2 4.15Å; Y142-W171 AromaticContact CD1-CZ3 3.86Å; Y142-W171 HydrophobicContact CD1-CZ3 3.86Å; Y142-W171 AromaticContact CD2-CH2 3.68Å; Y142-W171 HydrophobicContact CD2-CH2 3.68Å; Y142-W171 HydrophobicContact CD2-CZ3 4.12Å; Y142-W171 HydrophobicContact CE1-CH2 4.44Å; Y142-W171 HydrophobicContact CE1-CZ3 4.42Å; Y142-W171 AromaticContact CE2-CH2 4Å; Y142-W171 HydrophobicContact CE2-CH2 4Å; Y142-W171 AromaticContact CG-CH2 3.77Å; Y142-W171 HydrophobicContact CG-CH2 3.77Å; Y142-W171 AromaticContact CG-CZ3 3.7Å; Y142-W171 HydrophobicContact CG-CZ3 3.7Å; Y142-F177 AromaticContact CD1-CE2 3.82Å; Y142-F177 HydrophobicContact CD1-CE2 3.82Å; Y142-F177 HydrophobicContact CD1-CZ 4.49Å; Y142-F177 AromaticContact CE1-CE2 3.91Å; Y142-F177 HydrophobicContact CE1-CE2 3.91Å; Y142-F177 HydrophobicContact CE1-CZ 4.13Å; Y142-P193 HydrophobicContact CD1-CG 4.49Å; Y142-P193 HydrophobicContact CE1-CB 4.12Å; Y142-P193 HydrophobicContact CE1-CG 3.85Å; Y142-P193 HydrophobicContact CE2-CG 4.33Å; Y142-P193 WeakPolarHBondContact OH-CB 2.8Å
143R91.2Very high90.1Very high85 Ų8544.6 Ų44.632%0.32123%0.228SC..THydrogen-bonded Turntrans-95.8-7.9178.7-69.7-61.2-170.5164.9-4.4114.8Y141 Q149 Y176 E188Y141-R143 PolarHBondContact O-N 3.41Å; R143-Q149 VanDerWaalsContact NH1-NE2 3.11Å; R143-Y176 HydrophobicContact CB-CD2 3.67Å; R143-Y176 HydrophobicContact CB-CE2 3.43Å; R143-Y176 VanDerWaalsContact CB-CE2 3.43Å; R143-Y176 HydrophobicContact CG-CD2 3.47Å; R143-Y176 VanDerWaalsContact CG-CD2 3.47Å; R143-Y176 HydrophobicContact CG-CE2 3.77Å; R143-Y176 HydrophobicContact CG-CG 4.09Å; R143-E188 IonicContact CZ-OE1 3.64Å; R143-E188 IonicContact CZ-OE2 3.4Å; R143-E188 IonicContact NE-OE2 3.61Å; R143-E188 IonicContact NH2-OE1 3.01Å; R143-E188 PolarHBondContact NH2-OE1 3.34Å; R143-E188 IonicContact NH2-OE2 2.92Å; R143-E188 PolarHBondContact NH2-OE2 2.98Å
144D87.3Confident90.5Very high59 Ų5947.5 Ų47.532%0.31623%0.23SC..THydrogen-bonded Turntrans-78-25.9-177.3-7622.5000112.1R61 K64 Y141R61-D144 PolarHBondContact NH1-O 3.08Å; R61-D144 PolarHBondContact NH2-O 2.98Å; K64-D144 IonicContact NZ-OD2 2.72Å; K64-D144 PolarHBondContact NZ-OD2 2.96Å; Y141-D144 WeakPolarHBondContact CD1-OD2 3.4Å; Y141-D144 WeakPolarHBondContact O-CB 3.21Å; Y141-D144 PolarHBondContact O-N 3.43Å
145D82.6Confident90.9Very high11 Ų1143.6 Ų43.66%0.05922%0.217CC..  trans-136.9118.3-174-163.4-61.3000111.2R61 D147 L148 Q149R61-D145 IonicContact CZ-OD2 3.23Å; R61-D145 IonicContact NH1-OD2 3.68Å; R61-D145 PolarHBondContact NH1-OD2 3.13Å; D145-D147 PolarHBondContact O-N 2.82Å; D145-D147 WeakPolarHBondContact OD1-CB 3.3Å; D145-D147 PolarHBondContact OD1-N 3.46Å; D145-L148 HydrophobicContact CB-CB 3.86Å; D145-L148 PolarHBondContact O-N 2.81Å; D145-L148 PolarHBondContact OD1-N 3.28Å; D145-Q149 WeakPolarHBondContact O-CB 3.28Å; D145-Q149 PolarHBondContact O-N 3.36Å
146P87.3Confident91.2Very high77 Ų7742.4 Ų42.450%0.521%0.211SC..Hα-helixtrans-64.3-25-177.226.1-34000113.4S150P146-S150 WeakPolarHBondContact O-CB 3.46Å; P146-S150 PolarHBondContact O-N 3.37Å; P146-S150 PolarHBondContact O-OG 2.83Å
147D85.1Confident91.3Very high49 Ų4941.7 Ų41.726%0.26221%0.205SC..Hα-helixtrans-81.8-38.4178.5-57.3-104.4000111.7K52 P69 D145 Q149 S150 F151K52-D147 WeakPolarHBondContact CD-OD2 3.26Å; K52-D147 VanDerWaalsContact CE-OD1 3.3Å; K52-D147 WeakPolarHBondContact CE-OD1 3.49Å; K52-D147 WeakPolarHBondContact CE-OD2 3.35Å; K52-D147 IonicContact NZ-OD1 3.51Å; K52-D147 PolarHBondContact NZ-OD1 2.98Å; K52-D147 VanDerWaalsContact NZ-OD1 3.08Å; K52-D147 IonicContact NZ-OD2 2.82Å; K52-D147 PolarHBondContact NZ-OD2 3.38Å; P69-D147 HydrophobicContact CG-CB 3.93Å; D145-D147 PolarHBondContact O-N 2.82Å; D145-D147 WeakPolarHBondContact OD1-CB 3.3Å; D145-D147 PolarHBondContact OD1-N 3.46Å; D147-Q149 VanDerWaalsContact C-N 3.27Å; D147-Q149 PolarHBondContact O-N 2.99Å; D147-S150 PolarHBondContact O-N 2.97Å; D147-F151 WeakPolarHBondContact O-CB 3.47Å; D147-F151 PolarHBondContact O-N 3.2Å
148L89.3Confident91.3Very high2 Ų245.3 Ų45.31%0.0123%0.225CC..Hα-helixtrans-58.9-45168179.862000109.9L67 M138 D145 S150 F151 I152L67-L148 HydrophobicContact CB-CD2 4.32Å; M138-L148 HydrophobicContact CB-CD1 4.32Å; M138-L148 HydrophobicContact CG-CD1 4.37Å; D145-L148 HydrophobicContact CB-CB 3.86Å; D145-L148 PolarHBondContact O-N 2.81Å; D145-L148 PolarHBondContact OD1-N 3.28Å; L148-S150 PolarHBondContact O-N 3.4Å; L148-F151 PolarHBondContact O-N 2.92Å; L148-I152 HydrophobicContact CD1-CD1 3.69Å; L148-I152 HydrophobicContact CD1-CG1 4.11Å; L148-I152 HydrophobicContact CD2-CD1 4.43Å; L148-I152 HydrophobicContact CG-CD1 3.71Å; L148-I152 HydrophobicContact CG-CG1 4.47Å; L148-I152 WeakPolarHBondContact O-CB 3.47Å; L148-I152 VanDerWaalsContact O-CG1 3.32Å; L148-I152 WeakPolarHBondContact O-CG1 3.42Å; L148-I152 PolarHBondContact O-N 2.71Å
149Q92.6Very high91.4Very high39 Ų3947.7 Ų47.718%0.18223%0.231CC..Hα-helixtrans-56.9-52177-159.9-177.1-1.700111.2Y142 R143 D145 D147 F151 I152 D153Y142-Q149 HydrophobicContact CD1-CG 4.3Å; Y142-Q149 HydrophobicContact CD2-CG 3.99Å; Y142-Q149 HydrophobicContact CE1-CG 3.77Å; Y142-Q149 HydrophobicContact CE2-CB 4.31Å; Y142-Q149 HydrophobicContact CE2-CG 3.43Å; Y142-Q149 VanDerWaalsContact CE2-CG 3.43Å; Y142-Q149 HydrophobicContact CG-CG 4.39Å; Y142-Q149 WeakPolarHBondContact O-CB 3.37Å; Y142-Q149 WeakPolarHBondContact O-CG 3.31Å; Y142-Q149 WeakPolarHBondContact OH-CG 3.48Å; Y142-Q149 PolarHBondContact OH-NE2 3.29Å; Y142-Q149 VanDerWaalsContact OH-NE2 3.1Å; R143-Q149 VanDerWaalsContact NH1-NE2 3.11Å; D145-Q149 WeakPolarHBondContact O-CB 3.28Å; D145-Q149 PolarHBondContact O-N 3.36Å; D147-Q149 VanDerWaalsContact C-N 3.27Å; D147-Q149 PolarHBondContact O-N 2.99Å; Q149-F151 VanDerWaalsContact C-N 3.32Å; Q149-F151 PolarHBondContact O-N 3.02Å; Q149-I152 PolarHBondContact O-N 3.22Å; Q149-D153 WeakPolarHBondContact O-CB 3.33Å; Q149-D153 PolarHBondContact O-N 3.42Å
150S91.8Very high91.4Very high78 Ų7848.2 Ų48.255%0.54523%0.234SC..Hα-helixtrans-62.5-38.6-180-60.40000112.3P146 D147 L148 W154P146-S150 WeakPolarHBondContact O-CB 3.46Å; P146-S150 PolarHBondContact O-N 3.37Å; P146-S150 PolarHBondContact O-OG 2.83Å; D147-S150 PolarHBondContact O-N 2.97Å; L148-S150 PolarHBondContact O-N 3.4Å; S150-W154 WeakPolarHBondContact O-CB 3.28Å; S150-W154 PolarHBondContact O-N 2.77Å
151F91.3Very high91.4Very high77 Ų7750.3 Ų50.334%0.33824%0.242SC..Hα-helixtrans-66.9-47.1177.9178.9-117.3000111.9D147 L148 Q149 D153 W154 I155D147-F151 WeakPolarHBondContact O-CB 3.47Å; D147-F151 PolarHBondContact O-N 3.2Å; L148-F151 PolarHBondContact O-N 2.92Å; Q149-F151 VanDerWaalsContact C-N 3.32Å; Q149-F151 PolarHBondContact O-N 3.02Å; F151-D153 VanDerWaalsContact C-N 3.33Å; F151-W154 HydrophobicContact CD2-CE3 4.25Å; F151-W154 HydrophobicContact CE2-CE3 4.26Å; F151-W154 HydrophobicContact CE2-CZ3 4.21Å; F151-W154 PolarHBondContact O-N 3.17Å; F151-I155 HydrophobicContact CD1-CD1 3.85Å; F151-I155 HydrophobicContact CD2-CD1 4.33Å; F151-I155 HydrophobicContact CE1-CD1 3.43Å; F151-I155 VanDerWaalsContact CE1-CD1 3.43Å; F151-I155 HydrophobicContact CE2-CD1 3.96Å; F151-I155 HydrophobicContact CE2-CG1 4.33Å; F151-I155 HydrophobicContact CG-CD1 4.29Å; F151-I155 HydrophobicContact CZ-CD1 3.51Å; F151-I155 HydrophobicContact CZ-CG1 4.33Å; F151-I155 WeakPolarHBondContact O-CG1 3.26Å; F151-I155 PolarHBondContact O-N 3.16Å
152I93.7Very high91.6Very high9 Ų947.2 Ų47.25%0.04623%0.23CC..Hα-helixtrans-62.9-43.2176.2-68.7166.7000110.3M138 Y142 L148 Q149 W154 I155 Q156 W171M138-I152 HydrophobicContact CB-CD1 3.98Å; M138-I152 WeakPolarHBondContact O-CD1 3.5Å; Y142-I152 HydrophobicContact CD2-CB 4.02Å; Y142-I152 HydrophobicContact CD2-CD1 3.77Å; Y142-I152 HydrophobicContact CD2-CG2 3.9Å; Y142-I152 HydrophobicContact CE2-CB 4.1Å; Y142-I152 HydrophobicContact CE2-CG2 3.94Å; L148-I152 HydrophobicContact CD1-CD1 3.69Å; L148-I152 HydrophobicContact CD1-CG1 4.11Å; L148-I152 HydrophobicContact CD2-CD1 4.43Å; L148-I152 HydrophobicContact CG-CD1 3.71Å; L148-I152 HydrophobicContact CG-CG1 4.47Å; L148-I152 WeakPolarHBondContact O-CB 3.47Å; L148-I152 VanDerWaalsContact O-CG1 3.32Å; L148-I152 WeakPolarHBondContact O-CG1 3.42Å; L148-I152 PolarHBondContact O-N 2.71Å; Q149-I152 PolarHBondContact O-N 3.22Å; I152-W154 VanDerWaalsContact C-N 3.34Å; I152-W154 PolarHBondContact O-N 2.85Å; I152-I155 PolarHBondContact O-N 3.28Å; I152-Q156 HydrophobicContact CG2-CG 4.4Å; I152-Q156 WeakPolarHBondContact O-CB 3.49Å; I152-Q156 WeakPolarHBondContact O-CG 3.5Å; I152-Q156 PolarHBondContact O-N 2.97Å; I152-W171 HydrophobicContact CG2-CH2 4.32Å
153D94.5Very high91.7Very high17 Ų1747.2 Ų47.29%0.09123%0.23CC..Hα-helixtrans-61.6-43178.5-75-14.7000111.7Y142 Q149 F151 Q156 K157 F194 S195Y142-D153 WeakPolarHBondContact CE2-OD1 3.34Å; Y142-D153 VanDerWaalsContact OH-CG 3.27Å; Y142-D153 PolarHBondContact OH-OD1 2.9Å; Y142-D153 PolarHBondContact OH-OD2 3.44Å; Q149-D153 WeakPolarHBondContact O-CB 3.33Å; Q149-D153 PolarHBondContact O-N 3.42Å; F151-D153 VanDerWaalsContact C-N 3.33Å; D153-Q156 PolarHBondContact O-N 3.37Å; D153-K157 WeakPolarHBondContact O-CB 3.35Å; D153-K157 PolarHBondContact O-N 3.18Å; D153-F194 VanDerWaalsContact OD2-CE1 3.3Å; D153-F194 WeakPolarHBondContact OD2-CE1 3.3Å; D153-F194 WeakPolarHBondContact OD2-CZ 3.37Å; D153-S195 VanDerWaalsContact CA-CB 3.49Å; D153-S195 VanDerWaalsContact OD1-CB 3.23Å; D153-S195 WeakPolarHBondContact OD1-CB 3.32Å; D153-S195 PolarHBondContact OD1-OG 3.12Å
154W93.7Very high91.9Very high117 Ų11743.1 Ų43.144%0.44322%0.215SC..Hα-helixtrans-63-43.6174.817376.1000112S150 F151 I152 Q156 D158 W159S150-W154 WeakPolarHBondContact O-CB 3.28Å; S150-W154 PolarHBondContact O-N 2.77Å; F151-W154 HydrophobicContact CD2-CE3 4.25Å; F151-W154 HydrophobicContact CE2-CE3 4.26Å; F151-W154 HydrophobicContact CE2-CZ3 4.21Å; F151-W154 PolarHBondContact O-N 3.17Å; I152-W154 VanDerWaalsContact C-N 3.34Å; I152-W154 PolarHBondContact O-N 2.85Å; W154-Q156 PolarHBondContact O-N 3.43Å; W154-D158 HydrophobicContact CG-CB 4.47Å; W154-D158 WeakPolarHBondContact O-CA 3.26Å; W154-D158 WeakPolarHBondContact O-CB 3.23Å; W154-D158 PolarHBondContact O-N 3.38Å; W154-W159 HydrophobicContact CE3-CE3 4.24Å; W154-W159 HydrophobicContact CH2-CB 4.12Å; W154-W159 AromaticContact CH2-CD2 3.69Å; W154-W159 HydrophobicContact CH2-CD2 3.69Å; W154-W159 AromaticContact CH2-CE3 3.45Å; W154-W159 HydrophobicContact CH2-CE3 3.45Å; W154-W159 VanDerWaalsContact CH2-CE3 3.45Å; W154-W159 AromaticContact CH2-CG 3.99Å; W154-W159 HydrophobicContact CH2-CG 3.99Å; W154-W159 HydrophobicContact CH2-CZ3 4.1Å; W154-W159 HydrophobicContact CZ2-CB 4.06Å; W154-W159 HydrophobicContact CZ2-CD2 4.4Å; W154-W159 HydrophobicContact CZ2-CE3 4.48Å; W154-W159 HydrophobicContact CZ2-CG 4.24Å; W154-W159 HydrophobicContact CZ3-CB 4.41Å; W154-W159 HydrophobicContact CZ3-CD2 4.01Å; W154-W159 AromaticContact CZ3-CE3 3.31Å; W154-W159 HydrophobicContact CZ3-CE3 3.31Å; W154-W159 HydrophobicContact CZ3-CG 4.49Å; W154-W159 AromaticContact CZ3-CZ3 3.87Å; W154-W159 HydrophobicContact CZ3-CZ3 3.87Å; W154-W159 PolarHBondContact O-N 2.9Å
155I93.6Very high92.2Very high26 Ų2641 Ų4113%0.13320%0.203CC..Iπ-helixtrans-58.1-51.9175.8-71.9169000110.3F151 I152 W159 L160 C229F151-I155 HydrophobicContact CD1-CD1 3.85Å; F151-I155 HydrophobicContact CD2-CD1 4.33Å; F151-I155 HydrophobicContact CE1-CD1 3.43Å; F151-I155 VanDerWaalsContact CE1-CD1 3.43Å; F151-I155 HydrophobicContact CE2-CD1 3.96Å; F151-I155 HydrophobicContact CE2-CG1 4.33Å; F151-I155 HydrophobicContact CG-CD1 4.29Å; F151-I155 HydrophobicContact CZ-CD1 3.51Å; F151-I155 HydrophobicContact CZ-CG1 4.33Å; F151-I155 WeakPolarHBondContact O-CG1 3.26Å; F151-I155 PolarHBondContact O-N 3.16Å; I152-I155 PolarHBondContact O-N 3.28Å; I155-W159 HydrophobicContact CG1-CE3 4.03Å; I155-W159 HydrophobicContact CG1-CZ3 4.42Å; I155-L160 HydrophobicContact CG2-CD1 3.78Å; I155-L160 HydrophobicContact CG2-CG 4.33Å; I155-L160 WeakPolarHBondContact O-CB 3.34Å; I155-L160 PolarHBondContact O-N 3.44Å; I155-C229 HydrophobicContact CG2-CB 4.33Å
156Q95.5Very high92.6Very high3 Ų345.3 Ų45.31%0.01423%0.226CC..Iπ-helixtrans-68.5-45.1-173.5-76.9-178.5-7.400112.4I152 D153 W154 H161 C162 S195 C196 C229I152-Q156 HydrophobicContact CG2-CG 4.4Å; I152-Q156 WeakPolarHBondContact O-CB 3.49Å; I152-Q156 WeakPolarHBondContact O-CG 3.5Å; I152-Q156 PolarHBondContact O-N 2.97Å; D153-Q156 PolarHBondContact O-N 3.37Å; W154-Q156 PolarHBondContact O-N 3.43Å; Q156-H161 CarbonylContact O-C 3.05Å; Q156-H161 WeakPolarHBondContact O-CA 3.32Å; Q156-H161 PolarHBondContact O-N 3.41Å; Q156-H161 VanDerWaalsContact O-N 3.15Å; Q156-C162 WeakPolarHBondContact CB-O 3.34Å; Q156-C162 WeakPolarHBondContact CG-O 3.41Å; Q156-C162 PolarHBondContact O-N 2.96Å; Q156-C162 VanDerWaalsContact O-N 3.09Å; Q156-S195 PolarHBondContact OE1-OG 2.67Å; Q156-C196 PolarHBondContact OE1-SG 3.23Å; Q156-C196 VanDerWaalsContact OE1-SG 3.35Å; Q156-C229 VanDerWaalsContact CG-SG 3.5Å
157K93.1Very high92.9Very high33 Ų3342.1 Ų42.114%0.14321%0.207CC..Iπ-helixtrans-88.3-49.7-172.1-179178.4164.9169.10113.5D153 H161 S200D153-K157 WeakPolarHBondContact O-CB 3.35Å; D153-K157 PolarHBondContact O-N 3.18Å; K157-H161 PolarHBondContact O-CE1 3.43Å; K157-H161 PolarHBondContact O-ND1 3.09Å; K157-S200 WeakPolarHBondContact CE-OG 3.34Å; K157-S200 PolarHBondContact NZ-OG 3.4Å; K157-S200 VanDerWaalsContact NZ-OG 3.1Å
158D91.1Very high93.3Very high98 Ų9840.2 Ų40.252%0.52420%0.198SC..Iπ-helixtrans-100.6-32.4-164.6-61.4-56.3000112.6W154W154-D158 HydrophobicContact CG-CB 4.47Å; W154-D158 WeakPolarHBondContact O-CA 3.26Å; W154-D158 WeakPolarHBondContact O-CB 3.23Å; W154-D158 PolarHBondContact O-N 3.38Å
159W93.4Very high93.5Very high98 Ų9842.3 Ų42.337%0.37122%0.219SC..Iπ-helixtrans-96.4-55.1-175.6-172.918.1000114.1W154 I155 W236W154-W159 HydrophobicContact CE3-CE3 4.24Å; W154-W159 HydrophobicContact CH2-CB 4.12Å; W154-W159 AromaticContact CH2-CD2 3.69Å; W154-W159 HydrophobicContact CH2-CD2 3.69Å; W154-W159 AromaticContact CH2-CE3 3.45Å; W154-W159 HydrophobicContact CH2-CE3 3.45Å; W154-W159 VanDerWaalsContact CH2-CE3 3.45Å; W154-W159 AromaticContact CH2-CG 3.99Å; W154-W159 HydrophobicContact CH2-CG 3.99Å; W154-W159 HydrophobicContact CH2-CZ3 4.1Å; W154-W159 HydrophobicContact CZ2-CB 4.06Å; W154-W159 HydrophobicContact CZ2-CD2 4.4Å; W154-W159 HydrophobicContact CZ2-CE3 4.48Å; W154-W159 HydrophobicContact CZ2-CG 4.24Å; W154-W159 HydrophobicContact CZ3-CB 4.41Å; W154-W159 HydrophobicContact CZ3-CD2 4.01Å; W154-W159 AromaticContact CZ3-CE3 3.31Å; W154-W159 HydrophobicContact CZ3-CE3 3.31Å; W154-W159 HydrophobicContact CZ3-CG 4.49Å; W154-W159 AromaticContact CZ3-CZ3 3.87Å; W154-W159 HydrophobicContact CZ3-CZ3 3.87Å; W154-W159 PolarHBondContact O-N 2.9Å; I155-W159 HydrophobicContact CG1-CE3 4.03Å; I155-W159 HydrophobicContact CG1-CZ3 4.42Å; W159-W236 HydrophobicContact CZ2-CD2 4.41Å; W159-W236 HydrophobicContact CZ2-CE3 4.13Å; W159-W236 HydrophobicContact CZ2-CH2 4.18Å; W159-W236 HydrophobicContact CZ2-CZ2 4.42Å; W159-W236 HydrophobicContact CZ2-CZ3 4.02Å; W159-W236 AromaticContact NE1-CE2 3.69Å; W159-W236 AromaticContact NE1-CZ2 3.98Å; W159-W236 AromaticContact NE1-NE1 3.79Å
160L93.9Very high93.6Very high12 Ų1241.9 Ų41.96%0.06322%0.218CC..SBendtrans-112.5-11.2-166.4-66.8-179.1000114.9I155 C162 C229 Q232 A233 W236I155-L160 HydrophobicContact CG2-CD1 3.78Å; I155-L160 HydrophobicContact CG2-CG 4.33Å; I155-L160 WeakPolarHBondContact O-CB 3.34Å; I155-L160 PolarHBondContact O-N 3.44Å; L160-C162 HydrophobicContact CB-CB 4.2Å; L160-C162 WeakPolarHBondContact CB-SG 3.28Å; L160-C162 PolarHBondContact O-N 3.11Å; L160-C229 HydrophobicContact CD1-CB 4.46Å; L160-Q232 HydrophobicContact CB-CB 4.1Å; L160-Q232 PolarHBondContact O-NE2 3.33Å; L160-A233 HydrophobicContact CD1-CB 3.66Å; L160-W236 HydrophobicContact CD2-CB 3.95Å; L160-W236 HydrophobicContact CD2-CG 4.24Å
161H94.2Very high93.7Very high101 Ų10138.1 Ų38.147%0.46819%0.192SC..  trans50.755.8-178.6-65.6-42.3000111.6Q156 K157 F225Q156-H161 CarbonylContact O-C 3.05Å; Q156-H161 WeakPolarHBondContact O-CA 3.32Å; Q156-H161 PolarHBondContact O-N 3.41Å; Q156-H161 VanDerWaalsContact O-N 3.15Å; K157-H161 PolarHBondContact O-CE1 3.43Å; K157-H161 PolarHBondContact O-ND1 3.09Å; H161-F225 VanDerWaalsContact C-CG 3.41Å; H161-F225 HydrophobicContact CB-CD1 3.94Å; H161-F225 HydrophobicContact CB-CE1 3.45Å; H161-F225 VanDerWaalsContact CB-CE1 3.45Å; H161-F225 HydrophobicContact CB-CE2 4.35Å; H161-F225 HydrophobicContact CB-CZ 3.69Å; H161-F225 AromaticContact CG-CE1 3.99Å; H161-F225 AromaticContact CG-CZ 3.88Å; H161-F225 AromaticContact ND1-CZ 3.52Å; H161-F225 WeakPolarHBondContact O-CD1 3.43Å; H161-F225 WeakPolarHBondContact O-CG 3.19Å
162C95.6Very high93.9Very high0 Ų037.5 Ų37.50%019%0.192CC..  trans-134.1171.1-169.861.30000110.8Q156 L160 E227 C229 Q232Q156-C162 WeakPolarHBondContact CB-O 3.34Å; Q156-C162 WeakPolarHBondContact CG-O 3.41Å; Q156-C162 PolarHBondContact O-N 2.96Å; Q156-C162 VanDerWaalsContact O-N 3.09Å; L160-C162 HydrophobicContact CB-CB 4.2Å; L160-C162 WeakPolarHBondContact CB-SG 3.28Å; L160-C162 PolarHBondContact O-N 3.11Å; C162-E227 CarbonylContact C-O 3.36Å; C162-E227 VanDerWaalsContact CA-O 3.3Å; C162-E227 WeakPolarHBondContact CA-O 3.28Å; C162-E227 WeakPolarHBondContact CB-O 3.43Å; C162-C229 HydrophobicContact CB-CB 3.89Å; C162-C229 WeakPolarHBondContact CB-SG 3.49Å; C162-C229 WeakPolarHBondContact SG-CA 3.21Å; C162-C229 WeakPolarHBondContact SG-CB 3.22Å; C162-C229 CovalentContact SG-SG 2.03Å; C162-C229 PolarHBondContact SG-SG 3.41Å; C162-Q232 HydrophobicContact CB-CB 4.06Å; C162-Q232 HydrophobicContact CB-CG 3.88Å
163C95.7Very high93.9Very high0 Ų040.9 Ų40.90%021%0.21CC..  trans-146129.3175.4-172.30000111.4G167 P168 W171 C196 F225 E227C163-G167 CarbonylContact O-C 3.54Å; C163-G167 WeakPolarHBondContact O-CA 3.4Å; C163-P168 HydrophobicContact CB-CG 4.01Å; C163-W171 PolarHBondContact SG-NE1 3.28Å; C163-W171 VanDerWaalsContact SG-NE1 3.39Å; C163-C196 WeakPolarHBondContact CA-SG 3.49Å; C163-C196 HydrophobicContact CB-CB 3.65Å; C163-C196 WeakPolarHBondContact CB-SG 3.49Å; C163-C196 WeakPolarHBondContact SG-CB 3.34Å; C163-C196 CovalentContact SG-SG 2.04Å; C163-C196 PolarHBondContact SG-SG 2.78Å; C163-F225 HydrophobicContact CB-CB 4.12Å; C163-F225 VanDerWaalsContact CB-O 3.25Å; C163-F225 WeakPolarHBondContact CB-O 3.01Å; C163-E227 PolarHBondContact N-O 3.08Å
164G94.5Very high94Very high0 Ų040.1 Ų40.10%021%0.206CC..SBendtrans69-176.1-173.600000113.1G167 C229G164-G167 WeakPolarHBondContact CA-O 3.3Å; G164-C229 WeakPolarHBondContact O-CB 3.49Å; G164-C229 PolarHBondContact O-N 3.14Å; G164-C229 PolarHBondContact O-SG 2.82Å
165I93.1Very high94Very high15 Ų1539.6 Ų39.68%0.07721%0.211CC..SBendtrans-78.9-60.1177.8-57.6-53.1000109.5L135 I139 D170 G228 C229 L230L135-I165 HydrophobicContact CB-CD1 3.98Å; L135-I165 HydrophobicContact CB-CG1 4.15Å; L135-I165 HydrophobicContact CB-CG2 3.95Å; L135-I165 HydrophobicContact CD1-CG2 4.11Å; I139-I165 HydrophobicContact CD1-CD1 4.33Å; I139-I165 HydrophobicContact CD1-CG1 4.42Å; I139-I165 HydrophobicContact CG1-CD1 4.09Å; I139-I165 HydrophobicContact CG1-CG1 3.8Å; I165-D170 WeakPolarHBondContact CA-OD2 3.12Å; I165-D170 PolarHBondContact N-OD2 3.48Å; I165-G228 CarbonylContact O-C 3.42Å; I165-G228 VanDerWaalsContact O-C 3.27Å; I165-G228 VanDerWaalsContact O-CA 3.31Å; I165-G228 WeakPolarHBondContact O-CA 3.21Å; I165-C229 PolarHBondContact O-N 3.29Å; I165-L230 HydrophobicContact CG2-CB 3.99Å; I165-L230 HydrophobicContact CG2-CD2 4.28Å; I165-L230 WeakPolarHBondContact O-CB 3.43Å; I165-L230 PolarHBondContact O-N 2.87Å
166N91.7Very high94Very high100 Ų10043.1 Ų43.154%0.53522%0.223SC..SBendtrans-96.5-25.8174.9-62.9-53.6000112.2D170 G228N166-D170 WeakPolarHBondContact CA-OD2 3.35Å; N166-D170 PolarHBondContact N-OD2 3.29Å; N166-G228 VanDerWaalsContact C-CA 3.44Å; N166-G228 WeakPolarHBondContact O-CA 3.47Å; N166-G228 PolarHBondContact O-N 3.02Å
167G93.2Very high94Very high10 Ų1043 Ų4310%0.10322%0.223CC..SBendtrans172.1-176.5173.300000113.7C163 G164 G169 D170C163-G167 CarbonylContact O-C 3.54Å; C163-G167 WeakPolarHBondContact O-CA 3.4Å; G164-G167 WeakPolarHBondContact CA-O 3.3Å; G167-G169 PolarHBondContact O-N 3.11Å; G167-D170 PolarHBondContact N-OD2 3.5Å; G167-D170 VanDerWaalsContact O-CG 3.26Å; G167-D170 PolarHBondContact O-N 3.1Å; G167-D170 VanDerWaalsContact O-N 3.09Å; G167-D170 VanDerWaalsContact O-OD2 3.07Å
168P93.6Very high94.1Very high10 Ų1043.7 Ų43.77%0.06523%0.228CC..G310 helixtrans-57.5-23.9-177.3-29.437.7000115.1C163 D170 V192 R215 L220 I224 F225 Q226C163-P168 HydrophobicContact CB-CG 4.01Å; P168-D170 VanDerWaalsContact C-N 3.25Å; P168-D170 PolarHBondContact O-N 2.89Å; P168-V192 HydrophobicContact CB-CG1 4.29Å; P168-R215 WeakPolarHBondContact O-CD 3.17Å; P168-L220 HydrophobicContact CB-CD2 4.04Å; P168-L220 HydrophobicContact CG-CD2 3.83Å; P168-I224 HydrophobicContact CB-CD1 4.23Å; P168-I224 HydrophobicContact CG-CD1 4.3Å; P168-F225 VanDerWaalsContact CG-O 3.3Å; P168-F225 WeakPolarHBondContact CG-O 3.39Å; P168-Q226 VanDerWaalsContact CD-O 3.31Å; P168-Q226 WeakPolarHBondContact CD-O 3.41Å
169G93.4Very high94.1Very high45 Ų4541.5 Ų41.546%0.46422%0.22SC..G310 helixtrans-65.6-24.317800000114.1G167 W171 D172G167-G169 PolarHBondContact O-N 3.11Å; G169-W171 PolarHBondContact O-N 2.96Å; G169-D172 PolarHBondContact O-N 2.95Å
170D94.6Very high94Very high30 Ų3041.1 Ų41.116%0.1623%0.232CC..G310 helixtrans-63.4-20.2-177.8-55.9-28.4000112.4I139 I165 N166 G167 P168 D172 L173I139-D170 WeakPolarHBondContact CG2-O 3.42Å; I165-D170 WeakPolarHBondContact CA-OD2 3.12Å; I165-D170 PolarHBondContact N-OD2 3.48Å; N166-D170 WeakPolarHBondContact CA-OD2 3.35Å; N166-D170 PolarHBondContact N-OD2 3.29Å; G167-D170 PolarHBondContact N-OD2 3.5Å; G167-D170 VanDerWaalsContact O-CG 3.26Å; G167-D170 PolarHBondContact O-N 3.1Å; G167-D170 VanDerWaalsContact O-N 3.09Å; G167-D170 VanDerWaalsContact O-OD2 3.07Å; P168-D170 VanDerWaalsContact C-N 3.25Å; P168-D170 PolarHBondContact O-N 2.89Å; D170-D172 PolarHBondContact O-N 3.45Å; D170-D172 VanDerWaalsContact O-N 3.11Å; D170-L173 VanDerWaalsContact O-CB 3.25Å; D170-L173 WeakPolarHBondContact O-CB 3.48Å; D170-L173 WeakPolarHBondContact O-CG 3.32Å; D170-L173 PolarHBondContact O-N 3.36Å
171W95.6Very high94Very high0 Ų041 Ų410%023%0.232CC..G310 helixtrans-64.3-9.9174.8-70.7109.7000113.9I139 Y142 I152 C163 G169 L173 N174 F177 V192 P193 C196I139-W171 HydrophobicContact CD1-CH2 3.83Å; I139-W171 HydrophobicContact CD1-CZ2 3.89Å; I139-W171 HydrophobicContact CD1-CZ3 4.19Å; I139-W171 HydrophobicContact CG2-CD2 4.29Å; I139-W171 HydrophobicContact CG2-CE3 3.8Å; I139-W171 HydrophobicContact CG2-CZ3 4.02Å; Y142-W171 HydrophobicContact CD1-CH2 4.15Å; Y142-W171 AromaticContact CD1-CZ3 3.86Å; Y142-W171 HydrophobicContact CD1-CZ3 3.86Å; Y142-W171 AromaticContact CD2-CH2 3.68Å; Y142-W171 HydrophobicContact CD2-CH2 3.68Å; Y142-W171 HydrophobicContact CD2-CZ3 4.12Å; Y142-W171 HydrophobicContact CE1-CH2 4.44Å; Y142-W171 HydrophobicContact CE1-CZ3 4.42Å; Y142-W171 AromaticContact CE2-CH2 4Å; Y142-W171 HydrophobicContact CE2-CH2 4Å; Y142-W171 AromaticContact CG-CH2 3.77Å; Y142-W171 HydrophobicContact CG-CH2 3.77Å; Y142-W171 AromaticContact CG-CZ3 3.7Å; Y142-W171 HydrophobicContact CG-CZ3 3.7Å; I152-W171 HydrophobicContact CG2-CH2 4.32Å; C163-W171 PolarHBondContact SG-NE1 3.28Å; C163-W171 VanDerWaalsContact SG-NE1 3.39Å; G169-W171 PolarHBondContact O-N 2.96Å; W171-L173 PolarHBondContact O-N 3.18Å; W171-N174 HydrophobicContact CE3-CB 4.24Å; W171-N174 PolarHBondContact O-N 3.49Å; W171-F177 HydrophobicContact CB-CB 4.08Å; W171-F177 AromaticContact CE3-CD2 3.63Å; W171-F177 HydrophobicContact CE3-CD2 3.63Å; W171-F177 AromaticContact CE3-CE2 3.97Å; W171-F177 HydrophobicContact CE3-CE2 3.97Å; W171-F177 HydrophobicContact CE3-CG 4.14Å; W171-F177 HydrophobicContact CZ3-CD2 4.04Å; W171-F177 AromaticContact CZ3-CE2 3.96Å; W171-F177 HydrophobicContact CZ3-CE2 3.96Å; W171-F177 VanDerWaalsContact O-CB 3.24Å; W171-F177 WeakPolarHBondContact O-CB 3.29Å; W171-V192 HydrophobicContact CB-CG1 4.38Å; W171-V192 VanDerWaalsContact CD1-CG1 3.47Å; W171-V192 HydrophobicContact CG-CB 4.34Å; W171-V192 HydrophobicContact CG-CG1 4.08Å; W171-P193 VanDerWaalsContact CD2-CD 3.44Å; W171-P193 HydrophobicContact CD2-CG 4.03Å; W171-P193 HydrophobicContact CE3-CG 3.96Å; W171-P193 HydrophobicContact CH2-CG 3.18Å; W171-P193 HydrophobicContact CZ2-CG 3.2Å; W171-P193 HydrophobicContact CZ3-CG 3.57Å; W171-C196 PolarHBondContact NE1-SG 3.27Å; W171-C196 VanDerWaalsContact NE1-SG 3.44Å
172D94.3Very high93.8Very high63 Ų6341.6 Ų41.634%0.33724%0.236SC..G310 helixtrans-68.7-18.7166.6-79-37.2000113.7G169 D170 N174 N178 S179 R215G169-D172 PolarHBondContact O-N 2.95Å; D170-D172 PolarHBondContact O-N 3.45Å; D170-D172 VanDerWaalsContact O-N 3.11Å; D172-N174 VanDerWaalsContact C-N 3.26Å; D172-N174 PolarHBondContact O-N 3.05Å; D172-N178 WeakPolarHBondContact O-CB 3.48Å; D172-N178 PolarHBondContact O-ND2 2.92Å; D172-S179 PolarHBondContact OD1-N 2.83Å; D172-S179 PolarHBondContact OD1-OG 3.3Å; D172-R215 IonicContact OD1-CZ 3.62Å; D172-R215 IonicContact OD1-NH1 3.5Å; D172-R215 PolarHBondContact OD1-NH1 3.04Å; D172-R215 IonicContact OD1-NH2 2.78Å; D172-R215 IonicContact OD2-NH1 2.58Å; D172-R215 PolarHBondContact OD2-NH1 3.11Å
173L94.5Very high93.6Very high81 Ų8146.2 Ų46.242%0.42427%0.274SS..G310 helixtrans-70.7-23.9174.3-61.3175.3000112.4D136 I139 I140 D170 W171D136-L173 HydrophobicContact CB-CD1 4.13Å; I139-L173 HydrophobicContact CG2-CB 4.3Å; I140-L173 HydrophobicContact CG1-CB 4.03Å; D170-L173 VanDerWaalsContact O-CB 3.25Å; D170-L173 WeakPolarHBondContact O-CB 3.48Å; D170-L173 WeakPolarHBondContact O-CG 3.32Å; D170-L173 PolarHBondContact O-N 3.36Å; W171-L173 PolarHBondContact O-N 3.18Å
174N95.2Very high93.5Very high1 Ų153.4 Ų53.41%0.00531%0.312CS..SBendtrans-87.7131.6-179.7-174.8-79000111.4I139 I140 W171 D172 Y176 F177 N178I139-N174 HydrophobicContact CG2-CB 4.2Å; I139-N174 WeakPolarHBondContact O-CB 3.13Å; I139-N174 PolarHBondContact O-ND2 2.89Å; I140-N174 PolarHBondContact O-ND2 2.89Å; I140-N174 VanDerWaalsContact O-ND2 3.14Å; W171-N174 HydrophobicContact CE3-CB 4.24Å; W171-N174 PolarHBondContact O-N 3.49Å; D172-N174 VanDerWaalsContact C-N 3.26Å; D172-N174 PolarHBondContact O-N 3.05Å; N174-Y176 PolarHBondContact O-N 2.95Å; N174-Y176 VanDerWaalsContact O-N 3.11Å; N174-Y176 WeakPolarHBondContact OD1-CB 3.15Å; N174-Y176 WeakPolarHBondContact OD1-CD2 3.48Å; N174-Y176 PolarHBondContact OD1-N 3.02Å; N174-F177 HydrophobicContact CB-CB 4.45Å; N174-F177 HydrophobicContact CB-CD2 3.97Å; N174-F177 PolarHBondContact O-N 3.5Å; N174-F177 WeakPolarHBondContact OD1-CD2 3.16Å; N174-N178 WeakPolarHBondContact O-CB 3.32Å; N174-N178 PolarHBondContact O-N 2.89Å
175I94.6Very high93.3Very high106 Ų10656.3 Ų56.354%0.54434%0.342SS..THydrogen-bonded Turntrans-62-21-176.466173.3000114.7S181I175-S181 VanDerWaalsContact O-CB 3.27Å; I175-S181 WeakPolarHBondContact O-CB 3.46Å; I175-S181 PolarHBondContact O-OG 3.24Å
176Y93.9Very high93.2Very high99 Ų9956.7 Ų56.739%0.38835%0.346SS..THydrogen-bonded Turntrans-88.9-34.3179.4-62.9-83.8000112.1R143 N174 S186 E188 A189R143-Y176 HydrophobicContact CB-CD2 3.67Å; R143-Y176 HydrophobicContact CB-CE2 3.43Å; R143-Y176 VanDerWaalsContact CB-CE2 3.43Å; R143-Y176 HydrophobicContact CG-CD2 3.47Å; R143-Y176 VanDerWaalsContact CG-CD2 3.47Å; R143-Y176 HydrophobicContact CG-CE2 3.77Å; R143-Y176 HydrophobicContact CG-CG 4.09Å; N174-Y176 PolarHBondContact O-N 2.95Å; N174-Y176 VanDerWaalsContact O-N 3.11Å; N174-Y176 WeakPolarHBondContact OD1-CB 3.15Å; N174-Y176 WeakPolarHBondContact OD1-CD2 3.48Å; N174-Y176 PolarHBondContact OD1-N 3.02Å; Y176-S186 PolarHBondContact O-OG 3.47Å; Y176-E188 CarbonylContact O-C 3.53Å; Y176-A189 PolarHBondContact O-N 3.38Å
177F95.7Very high93.2Very high1 Ų156.8 Ų56.80%0.00435%0.351CS..THydrogen-bonded Turntrans-93.3-20.2-176.8-65.3-79.6000113Y142 W171 N174 S179 E188 G190 G191 V192 P193 R215Y142-F177 AromaticContact CD1-CE2 3.82Å; Y142-F177 HydrophobicContact CD1-CE2 3.82Å; Y142-F177 HydrophobicContact CD1-CZ 4.49Å; Y142-F177 AromaticContact CE1-CE2 3.91Å; Y142-F177 HydrophobicContact CE1-CE2 3.91Å; Y142-F177 HydrophobicContact CE1-CZ 4.13Å; W171-F177 HydrophobicContact CB-CB 4.08Å; W171-F177 AromaticContact CE3-CD2 3.63Å; W171-F177 HydrophobicContact CE3-CD2 3.63Å; W171-F177 AromaticContact CE3-CE2 3.97Å; W171-F177 HydrophobicContact CE3-CE2 3.97Å; W171-F177 HydrophobicContact CE3-CG 4.14Å; W171-F177 HydrophobicContact CZ3-CD2 4.04Å; W171-F177 AromaticContact CZ3-CE2 3.96Å; W171-F177 HydrophobicContact CZ3-CE2 3.96Å; W171-F177 VanDerWaalsContact O-CB 3.24Å; W171-F177 WeakPolarHBondContact O-CB 3.29Å; N174-F177 HydrophobicContact CB-CB 4.45Å; N174-F177 HydrophobicContact CB-CD2 3.97Å; N174-F177 PolarHBondContact O-N 3.5Å; N174-F177 WeakPolarHBondContact OD1-CD2 3.16Å; F177-S179 PolarHBondContact O-N 3.15Å; F177-E188 HydrophobicContact CD1-CB 3.87Å; F177-E188 HydrophobicContact CE1-CB 3.85Å; F177-E188 HydrophobicContact CE1-CG 4.34Å; F177-E188 WeakPolarHBondContact CZ-OE2 3.47Å; F177-G190 PolarHBondContact O-N 3.44Å; F177-G191 WeakPolarHBondContact CD1-O 3.1Å; F177-V192 VanDerWaalsContact CE1-C 3.44Å; F177-P193 HydrophobicContact CE1-CB 4.48Å; F177-P193 HydrophobicContact CE1-CG 4.12Å; F177-P193 HydrophobicContact CE2-CG 3.98Å; F177-P193 HydrophobicContact CZ-CB 4.02Å; F177-P193 HydrophobicContact CZ-CG 3.59Å; F177-R215 PolarHBondContact O-NH2 3.16Å
178N94.7Very high93.3Very high47 Ų4757.9 Ų57.925%0.25135%0.354SS..SBendtrans-50.5134.1176.4-171.2-53.1000110.8D172 N174 S180 S181D172-N178 WeakPolarHBondContact O-CB 3.48Å; D172-N178 PolarHBondContact O-ND2 2.92Å; N174-N178 WeakPolarHBondContact O-CB 3.32Å; N174-N178 PolarHBondContact O-N 2.89Å; N178-S180 PolarHBondContact O-N 3.02Å; N178-S180 VanDerWaalsContact O-N 3.15Å; N178-S180 VanDerWaalsContact OD1-CB 3.28Å; N178-S180 WeakPolarHBondContact OD1-CB 3.43Å; N178-S180 PolarHBondContact OD1-N 3.41Å; N178-S180 PolarHBondContact OD1-OG 3.07Å; N178-S181 VanDerWaalsContact O-CB 3.22Å; N178-S181 WeakPolarHBondContact O-CB 3.07Å; N178-S181 PolarHBondContact O-N 3.43Å; N178-S181 PolarHBondContact O-OG 2.78Å
179S91Very high93.3Very high52 Ų5257.5 Ų57.536%0.36435%0.352SS..G310 helixtrans-56-32.3-179.5-59.30000112.8D172 F177 S181 E182D172-S179 PolarHBondContact OD1-N 2.83Å; D172-S179 PolarHBondContact OD1-OG 3.3Å; F177-S179 PolarHBondContact O-N 3.15Å; S179-S181 PolarHBondContact O-N 2.85Å; S179-E182 WeakPolarHBondContact O-CB 3.41Å; S179-E182 PolarHBondContact O-N 3.36Å
180S92.2Very high93.3Very high90 Ų9055.4 Ų55.463%0.62933%0.33SS*.G310 helixtrans-67.4-20.5177.7-45.60000113.2N178 E182 A183N178-S180 PolarHBondContact O-N 3.02Å; N178-S180 VanDerWaalsContact O-N 3.15Å; N178-S180 VanDerWaalsContact OD1-CB 3.28Å; N178-S180 WeakPolarHBondContact OD1-CB 3.43Å; N178-S180 PolarHBondContact OD1-N 3.41Å; N178-S180 PolarHBondContact OD1-OG 3.07Å; S180-E182 PolarHBondContact O-N 3.43Å; S180-A183 WeakPolarHBondContact O-CB 3.37Å; S180-A183 PolarHBondContact O-N 3.11Å; S180-A183 VanDerWaalsContact O-N 3.16Å
181S92.5Very high93.3Very high9 Ų954 Ų546%0.06332%0.322CS..G310 helixtrans-72.9-7-179.1-53.40000113.2I175 N178 S179 A183 L184 G185 S186I175-S181 VanDerWaalsContact O-CB 3.27Å; I175-S181 WeakPolarHBondContact O-CB 3.46Å; I175-S181 PolarHBondContact O-OG 3.24Å; N178-S181 VanDerWaalsContact O-CB 3.22Å; N178-S181 WeakPolarHBondContact O-CB 3.07Å; N178-S181 PolarHBondContact O-N 3.43Å; N178-S181 PolarHBondContact O-OG 2.78Å; S179-S181 PolarHBondContact O-N 2.85Å; S181-A183 PolarHBondContact O-N 2.79Å; S181-L184 CarbonylContact O-C 3.56Å; S181-L184 WeakPolarHBondContact O-CB 3.46Å; S181-L184 PolarHBondContact O-N 3.38Å; S181-L184 VanDerWaalsContact O-N 3.07Å; S181-G185 PolarHBondContact O-N 2.85Å; S181-S186 WeakPolarHBondContact O-CB 3.23Å; S181-S186 PolarHBondContact O-N 2.99Å
182E90.9Very high93.3Very high115 Ų11554 Ų5454%0.53732%0.323SS..G310 helixtrans-59.7-37167.3179.4160.3-144.800111.2S179 S180 L184 G185 A189 K216S179-E182 WeakPolarHBondContact O-CB 3.41Å; S179-E182 PolarHBondContact O-N 3.36Å; S180-E182 PolarHBondContact O-N 3.43Å; E182-L184 PolarHBondContact O-N 3.2Å; E182-G185 PolarHBondContact O-N 3.33Å; E182-A189 HydrophobicContact CB-CB 3.78Å; E182-K216 IonicContact OE1-NZ 2.78Å; E182-K216 PolarHBondContact OE1-NZ 2.89Å; E182-K216 IonicContact OE2-NZ 2.81Å; E182-K216 PolarHBondContact OE2-NZ 3.43Å
183A91.7Very high93.4Very high97 Ų9751.2 Ų51.280%0.80231%0.308SS*.G310 helixtrans-65.4-22.2175.300000113S180 S181S180-A183 WeakPolarHBondContact O-CB 3.37Å; S180-A183 PolarHBondContact O-N 3.11Å; S180-A183 VanDerWaalsContact O-N 3.16Å; S181-A183 PolarHBondContact O-N 2.79Å
184L91.8Very high93.3Very high151 Ų15148.6 Ų48.679%0.79129%0.293SS*.G310 helixtrans-93.13.4175.2-64167.9000112.4S181 E182S181-L184 CarbonylContact O-C 3.56Å; S181-L184 WeakPolarHBondContact O-CB 3.46Å; S181-L184 PolarHBondContact O-N 3.38Å; S181-L184 VanDerWaalsContact O-N 3.07Å; E182-L184 PolarHBondContact O-N 3.2Å
185G91Very high93.3Very high61 Ų6148.5 Ų48.563%0.62929%0.292SS*.THydrogen-bonded Turntrans75.319.8-179.200000114.4S181 E182 P187S181-G185 PolarHBondContact O-N 2.85Å; E182-G185 PolarHBondContact O-N 3.33Å; G185-P187 WeakPolarHBondContact O-CD 3.35Å
186S91.9Very high93.3Very high23 Ų2343.5 Ų43.516%0.16127%0.267CS..  trans-67.6120.3174.8179.30000110Y176 S181 E188 A189Y176-S186 PolarHBondContact O-OG 3.47Å; S181-S186 WeakPolarHBondContact O-CB 3.23Å; S181-S186 PolarHBondContact O-N 2.99Å; S186-E188 PolarHBondContact O-N 3.41Å; S186-E188 PolarHBondContact OG-N 2.77Å; S186-A189 WeakPolarHBondContact O-CB 3.26Å; S186-A189 PolarHBondContact O-N 2.95Å
187P92.1Very high93.3Very high101 Ų10138.9 Ų38.966%0.65625%0.249SC*.THydrogen-bonded Turntrans-66.5-18.2176.627.3-33.1000112.3G185 H212G185-P187 WeakPolarHBondContact O-CD 3.35Å; P187-H212 PolarHBondContact O-CE1 3.43Å; P187-H212 PolarHBondContact O-ND1 3.37Å
188E93.7Very high93.1Very high34 Ų3444.3 Ų44.316%0.15927%0.273CS..THydrogen-bonded Turntrans-93.1-3.7-175.8-59.3-175.3161.500113.1R143 Y176 F177 S186 G190 G191R143-E188 IonicContact CZ-OE1 3.64Å; R143-E188 IonicContact CZ-OE2 3.4Å; R143-E188 IonicContact NE-OE2 3.61Å; R143-E188 IonicContact NH2-OE1 3.01Å; R143-E188 PolarHBondContact NH2-OE1 3.34Å; R143-E188 IonicContact NH2-OE2 2.92Å; R143-E188 PolarHBondContact NH2-OE2 2.98Å; Y176-E188 CarbonylContact O-C 3.53Å; F177-E188 HydrophobicContact CD1-CB 3.87Å; F177-E188 HydrophobicContact CE1-CB 3.85Å; F177-E188 HydrophobicContact CE1-CG 4.34Å; F177-E188 WeakPolarHBondContact CZ-OE2 3.47Å; S186-E188 PolarHBondContact O-N 3.41Å; S186-E188 PolarHBondContact OG-N 2.77Å; E188-G190 PolarHBondContact O-N 2.73Å; E188-G191 WeakPolarHBondContact O-CA 3.2Å; E188-G191 PolarHBondContact O-N 3.45Å
189A94.5Very high92.5Very high2 Ų246 Ų462%0.01729%0.288CS..THydrogen-bonded Turntrans-56.3132.1-177.800000111.9Y176 E182 S186 G191 K216Y176-A189 PolarHBondContact O-N 3.38Å; E182-A189 HydrophobicContact CB-CB 3.78Å; S186-A189 WeakPolarHBondContact O-CB 3.26Å; S186-A189 PolarHBondContact O-N 2.95Å; A189-G191 PolarHBondContact O-N 2.9Å; A189-K216 WeakPolarHBondContact O-CE 3.45Å
190G93.4Very high91.7Very high0 Ų043.9 Ų43.90%027%0.273CS..THydrogen-bonded Turntrans65.817.8-174.500000113.6F177 E188 G213 V214 R215F177-G190 PolarHBondContact O-N 3.44Å; E188-G190 PolarHBondContact O-N 2.73Å; G190-G213 CarbonylContact O-C 3.2Å; G190-G213 WeakPolarHBondContact O-CA 3.44Å; G190-V214 PolarHBondContact O-N 3.09Å; G190-R215 WeakPolarHBondContact O-CA 3.47Å; G190-R215 VanDerWaalsContact O-CB 3.25Å; G190-R215 WeakPolarHBondContact O-CB 3.5Å; G190-R215 PolarHBondContact O-N 3.31Å
191G94.8Very high90.9Very high0 Ų045.5 Ų45.50%027%0.269CS..  trans-108.4-176.817800000113.6F177 E188 A189 G211 R215F177-G191 WeakPolarHBondContact CD1-O 3.1Å; E188-G191 WeakPolarHBondContact O-CA 3.2Å; E188-G191 PolarHBondContact O-N 3.45Å; A189-G191 PolarHBondContact O-N 2.9Å; G191-G211 CarbonylContact C-O 3.54Å; G191-G211 WeakPolarHBondContact CA-O 3.45Å; G191-R215 PolarHBondContact O-NE 3.19Å; G191-R215 PolarHBondContact O-NH2 3.22Å
192V95.3Very high90.1Very high2 Ų249.7 Ų49.71%0.01229%0.29CS..  trans-128.3160.4167.8-590000108.1P168 W171 F177 C196 G211 V214 R215 I224P168-V192 HydrophobicContact CB-CG1 4.29Å; W171-V192 HydrophobicContact CB-CG1 4.38Å; W171-V192 VanDerWaalsContact CD1-CG1 3.47Å; W171-V192 HydrophobicContact CG-CB 4.34Å; W171-V192 HydrophobicContact CG-CG1 4.08Å; F177-V192 VanDerWaalsContact CE1-C 3.44Å; V192-C196 HydrophobicContact CB-CB 4.07Å; V192-C196 HydrophobicContact CG2-CB 3.6Å; V192-G211 PolarHBondContact N-O 3.49Å; V192-G211 CarbonylContact O-C 3.53Å; V192-G211 WeakPolarHBondContact O-CA 3.48Å; V192-V214 HydrophobicContact CG1-CG2 4.18Å; V192-V214 HydrophobicContact CG2-CG2 3.87Å; V192-R215 HydrophobicContact CG1-CG 4.2Å; V192-I224 HydrophobicContact CG2-CD1 4.28Å; V192-I224 HydrophobicContact CG2-CG2 4.21Å
193P95.5Very high89.6Confident4 Ų453.3 Ų53.33%0.02631%0.306CS..  trans-63.8158.3175.1-13.323.5000111.9Y142 W171 F177 S195 C196Y142-P193 HydrophobicContact CD1-CG 4.49Å; Y142-P193 HydrophobicContact CE1-CB 4.12Å; Y142-P193 HydrophobicContact CE1-CG 3.85Å; Y142-P193 HydrophobicContact CE2-CG 4.33Å; Y142-P193 WeakPolarHBondContact OH-CB 2.8Å; W171-P193 VanDerWaalsContact CD2-CD 3.44Å; W171-P193 HydrophobicContact CD2-CG 4.03Å; W171-P193 HydrophobicContact CE3-CG 3.96Å; W171-P193 HydrophobicContact CH2-CG 3.18Å; W171-P193 HydrophobicContact CZ2-CG 3.2Å; W171-P193 HydrophobicContact CZ3-CG 3.57Å; F177-P193 HydrophobicContact CE1-CB 4.48Å; F177-P193 HydrophobicContact CE1-CG 4.12Å; F177-P193 HydrophobicContact CE2-CG 3.98Å; F177-P193 HydrophobicContact CZ-CB 4.02Å; F177-P193 HydrophobicContact CZ-CG 3.59Å; P193-S195 PolarHBondContact O-N 3.35Å; P193-S195 VanDerWaalsContact O-N 3.11Å; P193-C196 WeakPolarHBondContact O-CB 3.24Å; P193-C196 PolarHBondContact O-N 3.41Å
194F93.5Very high89Confident25 Ų2551.5 Ų51.511%0.1130%0.297CS..G310 helixtrans-60.5-23179.877.7-83.1000113.4D153 C196 C197 I206 Y208D153-F194 VanDerWaalsContact OD2-CE1 3.3Å; D153-F194 WeakPolarHBondContact OD2-CE1 3.3Å; D153-F194 WeakPolarHBondContact OD2-CZ 3.37Å; F194-C196 PolarHBondContact O-N 3.25Å; F194-C197 VanDerWaalsContact O-CB 3.27Å; F194-C197 WeakPolarHBondContact O-CB 3.3Å; F194-C197 PolarHBondContact O-N 2.97Å; F194-C197 VanDerWaalsContact O-N 3.09Å; F194-I206 HydrophobicContact CD2-CG2 3.53Å; F194-I206 HydrophobicContact CE2-CG2 3.74Å; F194-I206 HydrophobicContact CG-CG2 4.34Å; F194-Y208 HydrophobicContact CB-CD1 4.28Å; F194-Y208 AromaticContact CD1-CD1 3.47Å; F194-Y208 HydrophobicContact CD1-CD1 3.47Å; F194-Y208 VanDerWaalsContact CD1-CD1 3.47Å; F194-Y208 AromaticContact CD1-CE1 3.72Å; F194-Y208 HydrophobicContact CD1-CE1 3.72Å; F194-Y208 HydrophobicContact CD2-CD1 4.29Å; F194-Y208 HydrophobicContact CD2-CE1 4.29Å; F194-Y208 AromaticContact CE1-CD1 3.86Å; F194-Y208 HydrophobicContact CE1-CD1 3.86Å; F194-Y208 AromaticContact CE1-CE1 3.59Å; F194-Y208 HydrophobicContact CE1-CE1 3.59Å; F194-Y208 HydrophobicContact CE2-CE1 4.17Å; F194-Y208 AromaticContact CG-CD1 3.72Å; F194-Y208 HydrophobicContact CG-CD1 3.72Å; F194-Y208 HydrophobicContact CG-CE1 4.08Å; F194-Y208 HydrophobicContact CZ-CD1 4.41Å; F194-Y208 AromaticContact CZ-CE1 3.83Å; F194-Y208 HydrophobicContact CZ-CE1 3.83Å
195S95Very high88.6Confident0 Ų050.3 Ų50.30%029%0.291CS..G310 helixtrans-66.9-22.3176.549.40000113.1D153 Q156 P193 C197D153-S195 VanDerWaalsContact CA-CB 3.49Å; D153-S195 VanDerWaalsContact OD1-CB 3.23Å; D153-S195 WeakPolarHBondContact OD1-CB 3.32Å; D153-S195 PolarHBondContact OD1-OG 3.12Å; Q156-S195 PolarHBondContact OE1-OG 2.67Å; P193-S195 PolarHBondContact O-N 3.35Å; P193-S195 VanDerWaalsContact O-N 3.11Å; S195-C197 PolarHBondContact O-N 2.96Å
196C95.5Very high88.2Confident0 Ų050.4 Ų50.40%028%0.276CS..G310 helixtrans-73.6-7.8170.3-73.20000114Q156 C163 W171 V192 P193 F194 I224 F225Q156-C196 PolarHBondContact OE1-SG 3.23Å; Q156-C196 VanDerWaalsContact OE1-SG 3.35Å; C163-C196 WeakPolarHBondContact CA-SG 3.49Å; C163-C196 HydrophobicContact CB-CB 3.65Å; C163-C196 WeakPolarHBondContact CB-SG 3.49Å; C163-C196 WeakPolarHBondContact SG-CB 3.34Å; C163-C196 CovalentContact SG-SG 2.04Å; C163-C196 PolarHBondContact SG-SG 2.78Å; W171-C196 PolarHBondContact NE1-SG 3.27Å; W171-C196 VanDerWaalsContact NE1-SG 3.44Å; V192-C196 HydrophobicContact CB-CB 4.07Å; V192-C196 HydrophobicContact CG2-CB 3.6Å; P193-C196 WeakPolarHBondContact O-CB 3.24Å; P193-C196 PolarHBondContact O-N 3.41Å; F194-C196 PolarHBondContact O-N 3.25Å; C196-I224 CarbonylContact O-C 3.54Å; C196-I224 VanDerWaalsContact O-CA 3.3Å; C196-I224 WeakPolarHBondContact O-CA 3.38Å; C196-I224 WeakPolarHBondContact O-CB 3.44Å; C196-F225 WeakPolarHBondContact O-CD2 3.19Å; C196-F225 PolarHBondContact O-N 2.87Å
197C93.8Very high88Confident2 Ų251.3 Ų51.31%0.01428%0.28CS..BIsolated β-bridgetrans-84131.8-177.1-74.30000113F194 S195 S199 C210F194-C197 VanDerWaalsContact O-CB 3.27Å; F194-C197 WeakPolarHBondContact O-CB 3.3Å; F194-C197 PolarHBondContact O-N 2.97Å; F194-C197 VanDerWaalsContact O-N 3.09Å; S195-C197 PolarHBondContact O-N 2.96Å; C197-S199 VanDerWaalsContact C-N 3.34Å; C197-S199 PolarHBondContact O-N 3.37Å; C197-C210 HydrophobicContact CB-CB 3.9Å; C197-C210 WeakPolarHBondContact CB-SG 3.37Å; C197-C210 WeakPolarHBondContact SG-CB 3.27Å; C197-C210 CovalentContact SG-SG 2.03Å; C197-C210 PolarHBondContact SG-SG 3.38Å
198K91Very high87.8Confident116 Ų11652.7 Ų52.750%0.50427%0.273SS..SBendtrans-61.5-41.3177-70.2177.7179.4164.70112.5S222 N223 I224 F225K198-S222 WeakPolarHBondContact CD-O 3.23Å; K198-S222 WeakPolarHBondContact CE-O 3.3Å; K198-S222 PolarHBondContact NZ-O 3.42Å; K198-N223 WeakPolarHBondContact CB-O 3.3Å; K198-N223 PolarHBondContact N-O 2.62Å; K198-I224 VanDerWaalsContact CE-O 3.23Å; K198-I224 WeakPolarHBondContact CE-O 3.1Å; K198-F225 HydrophobicContact CB-CE1 4.29Å; K198-F225 HydrophobicContact CB-CZ 4.38Å; K198-F225 HydrophobicContact CG-CD1 3.72Å; K198-F225 HydrophobicContact CG-CE1 3.55Å; K198-F225 HydrophobicContact CG-CG 4.35Å; K198-F225 HydrophobicContact CG-CZ 4.05Å
199S82.6Confident87.6Confident81 Ų8159.5 Ų59.557%0.56630%0.298SS*.  trans-12088.6172.6-169.10000109C197 K201C197-S199 VanDerWaalsContact C-N 3.34Å; C197-S199 PolarHBondContact O-N 3.37Å; S199-K201 VanDerWaalsContact C-N 3.29Å
200S72.6Confident87.4Confident9 Ų960.7 Ų60.76%0.06331%0.306CS..  trans-84.5-1175.556.60000112.8K157 I206 N207K157-S200 WeakPolarHBondContact CE-OG 3.34Å; K157-S200 PolarHBondContact NZ-OG 3.4Å; K157-S200 VanDerWaalsContact NZ-OG 3.1Å; S200-I206 CarbonylContact O-C 3.27Å; S200-I206 VanDerWaalsContact O-CA 3.24Å; S200-I206 WeakPolarHBondContact O-CA 3.48Å; S200-N207 PolarHBondContact O-N 2.89Å
201K76.9Confident87.3Confident123 Ų12360.7 Ų60.754%0.53531%0.306SS..EExtended strand (participates in β ladder)trans-115.4126.5179.3-68.3-175.6-179-179.40111.8S199 L205S199-K201 VanDerWaalsContact C-N 3.29Å; K201-L205 CarbonylContact C-O 3.59Å; K201-L205 VanDerWaalsContact CA-O 3.22Å; K201-L205 WeakPolarHBondContact CA-O 3.32Å
202I75.7Confident87.2Confident98 Ų9863.3 Ų63.350%0.50332%0.318SS..EExtended strand (participates in β ladder)trans-116.5117.4168.3-58.6175.5000105.8G204 L205 N207I202-G204 PolarHBondContact O-N 2.92Å; I202-G204 VanDerWaalsContact O-N 3.11Å; I202-L205 PolarHBondContact N-O 3.18Å; I202-L205 PolarHBondContact O-N 2.76Å; I202-N207 HydrophobicContact CD1-CB 3.97Å; I202-N207 WeakPolarHBondContact CD1-ND2 3.21Å; I202-N207 HydrophobicContact CG1-CB 4.2Å
203E79.7Confident86.9Confident190 Ų19063.9 Ų63.989%0.88832%0.324SS*.THydrogen-bonded Turntrans55.331.5-179.5-59.1-178.2165.300114.4L205E203-L205 VanDerWaalsContact C-N 3.28Å; E203-L205 PolarHBondContact O-N 2.74Å
204G79Confident86.7Confident59 Ų5964.1 Ų64.161%0.60833%0.326SS*.THydrogen-bonded Turntrans85.7-12.9-177.900000114.8I202I202-G204 PolarHBondContact O-N 2.92Å; I202-G204 VanDerWaalsContact O-N 3.11Å
205L82.7Confident86.6Confident127 Ų12764.6 Ų64.667%0.66533%0.327SS*.EExtended strand (participates in β ladder)trans-87.2142.8174.8-74.780.4000111.1K201 I202 E203 N207K201-L205 CarbonylContact C-O 3.59Å; K201-L205 VanDerWaalsContact CA-O 3.22Å; K201-L205 WeakPolarHBondContact CA-O 3.32Å; I202-L205 PolarHBondContact N-O 3.18Å; I202-L205 PolarHBondContact O-N 2.76Å; E203-L205 VanDerWaalsContact C-N 3.28Å; E203-L205 PolarHBondContact O-N 2.74Å; L205-N207 PolarHBondContact O-N 2.65Å
206I82.8Confident86.3Confident62 Ų6269.4 Ų69.432%0.31835%0.347SS..EExtended strand (participates in β ladder)trans-75.3121.8177.6-60173.5000109.5F194 S200 Y208F194-I206 HydrophobicContact CD2-CG2 3.53Å; F194-I206 HydrophobicContact CE2-CG2 3.74Å; F194-I206 HydrophobicContact CG-CG2 4.34Å; S200-I206 CarbonylContact O-C 3.27Å; S200-I206 VanDerWaalsContact O-CA 3.24Å; S200-I206 WeakPolarHBondContact O-CA 3.48Å; I206-Y208 HydrophobicContact CB-CD2 4.3Å; I206-Y208 HydrophobicContact CB-CE2 3.76Å; I206-Y208 HydrophobicContact CG2-CD1 4.3Å; I206-Y208 HydrophobicContact CG2-CD2 4.07Å; I206-Y208 HydrophobicContact CG2-CE1 4.02Å; I206-Y208 HydrophobicContact CG2-CE2 3.77Å; I206-Y208 HydrophobicContact CG2-CG 4.32Å; I206-Y208 WeakPolarHBondContact O-CD2 3.48Å; I206-Y208 PolarHBondContact O-N 2.64Å
207N87.7Confident85.7Confident43 Ų4376.4 Ų76.423%0.2338%0.378CS..  trans-82.889.6172.9-178.46.5000110.3S200 I202 L205 Y209 C210S200-N207 PolarHBondContact O-N 2.89Å; I202-N207 HydrophobicContact CD1-CB 3.97Å; I202-N207 WeakPolarHBondContact CD1-ND2 3.21Å; I202-N207 HydrophobicContact CG1-CB 4.2Å; L205-N207 PolarHBondContact O-N 2.65Å; N207-Y209 PolarHBondContact O-N 2.85Å; N207-Y209 WeakPolarHBondContact OD1-CB 2.95Å; N207-Y209 PolarHBondContact OD1-N 3.41Å; N207-C210 HydrophobicContact CB-CB 4.46Å; N207-C210 PolarHBondContact O-N 3.38Å; N207-C210 PolarHBondContact OD1-N 3.31Å
208Y88.1Confident85Confident129 Ų12981.6 Ų81.651%0.50642%0.422SS..THydrogen-bonded Turntrans-65.2-19.9175.8-68.8-82.1000113.5F194 I206F194-Y208 HydrophobicContact CB-CD1 4.28Å; F194-Y208 AromaticContact CD1-CD1 3.47Å; F194-Y208 HydrophobicContact CD1-CD1 3.47Å; F194-Y208 VanDerWaalsContact CD1-CD1 3.47Å; F194-Y208 AromaticContact CD1-CE1 3.72Å; F194-Y208 HydrophobicContact CD1-CE1 3.72Å; F194-Y208 HydrophobicContact CD2-CD1 4.29Å; F194-Y208 HydrophobicContact CD2-CE1 4.29Å; F194-Y208 AromaticContact CE1-CD1 3.86Å; F194-Y208 HydrophobicContact CE1-CD1 3.86Å; F194-Y208 AromaticContact CE1-CE1 3.59Å; F194-Y208 HydrophobicContact CE1-CE1 3.59Å; F194-Y208 HydrophobicContact CE2-CE1 4.17Å; F194-Y208 AromaticContact CG-CD1 3.72Å; F194-Y208 HydrophobicContact CG-CD1 3.72Å; F194-Y208 HydrophobicContact CG-CE1 4.08Å; F194-Y208 HydrophobicContact CZ-CD1 4.41Å; F194-Y208 AromaticContact CZ-CE1 3.83Å; F194-Y208 HydrophobicContact CZ-CE1 3.83Å; I206-Y208 HydrophobicContact CB-CD2 4.3Å; I206-Y208 HydrophobicContact CB-CE2 3.76Å; I206-Y208 HydrophobicContact CG2-CD1 4.3Å; I206-Y208 HydrophobicContact CG2-CD2 4.07Å; I206-Y208 HydrophobicContact CG2-CE1 4.02Å; I206-Y208 HydrophobicContact CG2-CE2 3.77Å; I206-Y208 HydrophobicContact CG2-CG 4.32Å; I206-Y208 WeakPolarHBondContact O-CD2 3.48Å; I206-Y208 PolarHBondContact O-N 2.64Å
209Y89.6Confident84.6Confident178 Ų17883.2 Ų83.270%0.69843%0.434SS*.THydrogen-bonded Turntrans-86.9-10.1-176.4-69.7-82.3000114.5N207 G211 H212N207-Y209 PolarHBondContact O-N 2.85Å; N207-Y209 WeakPolarHBondContact OD1-CB 2.95Å; N207-Y209 PolarHBondContact OD1-N 3.41Å; Y209-G211 PolarHBondContact O-N 3.49Å; Y209-G211 VanDerWaalsContact O-N 3.12Å; Y209-H212 WeakPolarHBondContact O-CB 3.38Å; Y209-H212 PolarHBondContact O-N 3.41Å
210C90.5Very high84.7Confident26 Ų2681.8 Ų81.818%0.17642%0.42CS..THydrogen-bonded Turntrans-56.7-33.7-173.5161.90000113.8C197 N207 V214C197-C210 HydrophobicContact CB-CB 3.9Å; C197-C210 WeakPolarHBondContact CB-SG 3.37Å; C197-C210 WeakPolarHBondContact SG-CB 3.27Å; C197-C210 CovalentContact SG-SG 2.03Å; C197-C210 PolarHBondContact SG-SG 3.38Å; N207-C210 HydrophobicContact CB-CB 4.46Å; N207-C210 PolarHBondContact O-N 3.38Å; N207-C210 PolarHBondContact OD1-N 3.31Å; C210-V214 WeakPolarHBondContact O-CG1 3.46Å
211G91.3Very high85.1Confident0 Ų083.2 Ų83.20%043%0.43CS..THydrogen-bonded Turntrans-88.5-3.4-179.300000115.1G191 V192 Y209 G213 V214G191-G211 CarbonylContact C-O 3.54Å; G191-G211 WeakPolarHBondContact CA-O 3.45Å; V192-G211 PolarHBondContact N-O 3.49Å; V192-G211 CarbonylContact O-C 3.53Å; V192-G211 WeakPolarHBondContact O-CA 3.48Å; Y209-G211 PolarHBondContact O-N 3.49Å; Y209-G211 VanDerWaalsContact O-N 3.12Å; G211-G213 PolarHBondContact O-N 2.91Å; G211-V214 WeakPolarHBondContact O-CG2 3.13Å
212H91.9Very high85.6Confident55 Ų5581.2 Ų81.226%0.25543%0.432SS..THydrogen-bonded Turntrans-69.1131.7-175.3-80.5-120.3000112.2P187 Y209 V214P187-H212 PolarHBondContact O-CE1 3.43Å; P187-H212 PolarHBondContact O-ND1 3.37Å; Y209-H212 WeakPolarHBondContact O-CB 3.38Å; Y209-H212 PolarHBondContact O-N 3.41Å; H212-V214 PolarHBondContact O-N 3.39Å
213G90.1Very high86.2Confident14 Ų1481.4 Ų81.414%0.14443%0.433CS..THydrogen-bonded Turntrans63.85.1174.700000115.8G190 G211 R215 K216 F217G190-G213 CarbonylContact O-C 3.2Å; G190-G213 WeakPolarHBondContact O-CA 3.44Å; G211-G213 PolarHBondContact O-N 2.91Å; G213-R215 PolarHBondContact O-N 2.88Å; G213-R215 VanDerWaalsContact O-N 3.12Å; G213-K216 WeakPolarHBondContact O-CB 3.34Å; G213-K216 PolarHBondContact O-N 3.36Å; G213-F217 WeakPolarHBondContact O-CD2 3.41Å; G213-F217 WeakPolarHBondContact O-CE2 3.49Å
214V91.2Very high86.8Confident9 Ų972.3 Ų72.36%0.05539%0.391CS..THydrogen-bonded Turntrans-63.1-22-174-60.90000113.6G190 V192 C210 G211 H212 I224G190-V214 PolarHBondContact O-N 3.09Å; V192-V214 HydrophobicContact CG1-CG2 4.18Å; V192-V214 HydrophobicContact CG2-CG2 3.87Å; C210-V214 WeakPolarHBondContact O-CG1 3.46Å; G211-V214 WeakPolarHBondContact O-CG2 3.13Å; H212-V214 PolarHBondContact O-N 3.39Å; V214-I224 HydrophobicContact CG1-CG2 4.46Å; V214-I224 HydrophobicContact CG2-CD1 3.88Å
215R91.9Very high87.5Confident36 Ų3670.7 Ų70.714%0.13637%0.367CS..THydrogen-bonded Turntrans-93.4-3.7177.5-55.2-175.1-71.9117.51.9113.2P168 D172 F177 G190 G191 V192 G213 F217 L220P168-R215 WeakPolarHBondContact O-CD 3.17Å; D172-R215 IonicContact OD1-CZ 3.62Å; D172-R215 IonicContact OD1-NH1 3.5Å; D172-R215 PolarHBondContact OD1-NH1 3.04Å; D172-R215 IonicContact OD1-NH2 2.78Å; D172-R215 IonicContact OD2-NH1 2.58Å; D172-R215 PolarHBondContact OD2-NH1 3.11Å; F177-R215 PolarHBondContact O-NH2 3.16Å; G190-R215 WeakPolarHBondContact O-CA 3.47Å; G190-R215 VanDerWaalsContact O-CB 3.25Å; G190-R215 WeakPolarHBondContact O-CB 3.5Å; G190-R215 PolarHBondContact O-N 3.31Å; G191-R215 PolarHBondContact O-NE 3.19Å; G191-R215 PolarHBondContact O-NH2 3.22Å; V192-R215 HydrophobicContact CG1-CG 4.2Å; G213-R215 PolarHBondContact O-N 2.88Å; G213-R215 VanDerWaalsContact O-N 3.12Å; R215-F217 VanDerWaalsContact C-N 3.32Å; R215-L220 HydrophobicContact CG-CD1 4.09Å
216K87.4Confident87.9Confident100 Ų10069.6 Ų69.644%0.43536%0.359SS..THydrogen-bonded Turntrans-76.7-21.3172.7-60.4-169.8-177-170.90112.7E182 A189 G213E182-K216 IonicContact OE1-NZ 2.78Å; E182-K216 PolarHBondContact OE1-NZ 2.89Å; E182-K216 IonicContact OE2-NZ 2.81Å; E182-K216 PolarHBondContact OE2-NZ 3.43Å; A189-K216 WeakPolarHBondContact O-CE 3.45Å; G213-K216 WeakPolarHBondContact O-CB 3.34Å; G213-K216 PolarHBondContact O-N 3.36Å
217F83.8Confident88.4Confident147 Ų14772.5 Ų72.565%0.64537%0.371SS*.SBendtrans-86.4143.5177.8-56.5-79.8000110.4G213 R215 I219G213-F217 WeakPolarHBondContact O-CD2 3.41Å; G213-F217 WeakPolarHBondContact O-CE2 3.49Å; R215-F217 VanDerWaalsContact C-N 3.32Å; F217-I219 PolarHBondContact O-N 2.91Å
218A78.6Confident88.6Confident112 Ų11270.7 Ų70.793%0.92636%0.363SS*.SBendtrans-61.5-28.4177.800000113
219I82.1Confident88.9Confident149 Ų14965.1 Ų65.176%0.76434%0.342SS*.SBendtrans-108.2117.8176.1-58.1174.7000107.8F217 S221F217-I219 PolarHBondContact O-N 2.91Å; I219-S221 PolarHBondContact O-N 2.85Å
220L84.4Confident88.9Confident51 Ų5158.1 Ų58.127%0.26732%0.317SS..  trans-64.2133.6177.4-165.767.6000110.4P168 R215 S222 I224 Q226P168-L220 HydrophobicContact CB-CD2 4.04Å; P168-L220 HydrophobicContact CG-CD2 3.83Å; R215-L220 HydrophobicContact CG-CD1 4.09Å; L220-S222 PolarHBondContact O-N 3.09Å; L220-I224 HydrophobicContact CD1-CD1 3.65Å; L220-I224 HydrophobicContact CD2-CD1 3.95Å; L220-I224 HydrophobicContact CD2-CG1 4.41Å; L220-I224 HydrophobicContact CG-CD1 3.73Å; L220-I224 HydrophobicContact CG-CG1 4.22Å; L220-Q226 HydrophobicContact CD2-CG 4.05Å
221S82.2Confident88.7Confident39 Ų3958.3 Ų58.327%0.27332%0.323SS..  trans-55.7137.6-178.1-1760000112.2I219 N223 I224I219-S221 PolarHBondContact O-N 2.85Å; S221-N223 PolarHBondContact O-N 2.03Å; S221-N223 PolarHBondContact OG-N 3.16Å; S221-I224 WeakPolarHBondContact O-CG1 3.33Å
222S86.1Confident88.6Confident82 Ų8261 Ų6157%0.57334%0.335SS*.THydrogen-bonded Turntrans-69.3-12.4173.857.30000113K198 L220 I224K198-S222 WeakPolarHBondContact CD-O 3.23Å; K198-S222 WeakPolarHBondContact CE-O 3.3Å; K198-S222 PolarHBondContact NZ-O 3.42Å; L220-S222 PolarHBondContact O-N 3.09Å; S222-I224 VanDerWaalsContact C-N 3.33Å
223N88.2Confident88.3Confident101 Ų10160 Ų6054%0.5434%0.337SS..THydrogen-bonded Turntrans-80.6-8.2-178.2-67.3-23.1000114.1K198 S221K198-N223 WeakPolarHBondContact CB-O 3.3Å; K198-N223 PolarHBondContact N-O 2.62Å; S221-N223 PolarHBondContact O-N 2.03Å; S221-N223 PolarHBondContact OG-N 3.16Å
224I92.9Very high87.8Confident0 Ų061.3 Ų61.30%034%0.339CS..BIsolated β-bridgetrans-108.6157.4175.970.3172000111.4P168 V192 C196 K198 V214 L220 S221 S222P168-I224 HydrophobicContact CB-CD1 4.23Å; P168-I224 HydrophobicContact CG-CD1 4.3Å; V192-I224 HydrophobicContact CG2-CD1 4.28Å; V192-I224 HydrophobicContact CG2-CG2 4.21Å; C196-I224 CarbonylContact O-C 3.54Å; C196-I224 VanDerWaalsContact O-CA 3.3Å; C196-I224 WeakPolarHBondContact O-CA 3.38Å; C196-I224 WeakPolarHBondContact O-CB 3.44Å; K198-I224 VanDerWaalsContact CE-O 3.23Å; K198-I224 WeakPolarHBondContact CE-O 3.1Å; V214-I224 HydrophobicContact CG1-CG2 4.46Å; V214-I224 HydrophobicContact CG2-CD1 3.88Å; L220-I224 HydrophobicContact CD1-CD1 3.65Å; L220-I224 HydrophobicContact CD2-CD1 3.95Å; L220-I224 HydrophobicContact CD2-CG1 4.41Å; L220-I224 HydrophobicContact CG-CD1 3.73Å; L220-I224 HydrophobicContact CG-CG1 4.22Å; S221-I224 WeakPolarHBondContact O-CG1 3.33Å; S222-I224 VanDerWaalsContact C-N 3.33Å
225F94.2Very high87.3Confident25 Ų2564.1 Ų64.111%0.1136%0.359CS..  trans-67.8132.5168.3-58.2-64000109.5H161 C163 P168 C196 K198H161-F225 VanDerWaalsContact C-CG 3.41Å; H161-F225 HydrophobicContact CB-CD1 3.94Å; H161-F225 HydrophobicContact CB-CE1 3.45Å; H161-F225 VanDerWaalsContact CB-CE1 3.45Å; H161-F225 HydrophobicContact CB-CE2 4.35Å; H161-F225 HydrophobicContact CB-CZ 3.69Å; H161-F225 AromaticContact CG-CE1 3.99Å; H161-F225 AromaticContact CG-CZ 3.88Å; H161-F225 AromaticContact ND1-CZ 3.52Å; H161-F225 WeakPolarHBondContact O-CD1 3.43Å; H161-F225 WeakPolarHBondContact O-CG 3.19Å; C163-F225 HydrophobicContact CB-CB 4.12Å; C163-F225 VanDerWaalsContact CB-O 3.25Å; C163-F225 WeakPolarHBondContact CB-O 3.01Å; P168-F225 VanDerWaalsContact CG-O 3.3Å; P168-F225 WeakPolarHBondContact CG-O 3.39Å; C196-F225 WeakPolarHBondContact O-CD2 3.19Å; C196-F225 PolarHBondContact O-N 2.87Å; K198-F225 HydrophobicContact CB-CE1 4.29Å; K198-F225 HydrophobicContact CB-CZ 4.38Å; K198-F225 HydrophobicContact CG-CD1 3.72Å; K198-F225 HydrophobicContact CG-CE1 3.55Å; K198-F225 HydrophobicContact CG-CG 4.35Å; K198-F225 HydrophobicContact CG-CZ 4.05Å
226Q91.4Very high87Confident103 Ų10367.1 Ų67.148%0.48137%0.37SS..  trans-101.2-18.2-178.4-61.5-173.3-15.800112.4P168 L220P168-Q226 VanDerWaalsContact CD-O 3.31Å; P168-Q226 WeakPolarHBondContact CD-O 3.41Å; L220-Q226 HydrophobicContact CD2-CG 4.05Å
227E92.2Very high86.4Confident124 Ų12465.6 Ų65.658%0.57937%0.367SS*.SBendtrans-84.1136.6-179.6-59.5-61.4150.300111.1C162 C163 Q232C162-E227 CarbonylContact C-O 3.36Å; C162-E227 VanDerWaalsContact CA-O 3.3Å; C162-E227 WeakPolarHBondContact CA-O 3.28Å; C162-E227 WeakPolarHBondContact CB-O 3.43Å; C163-E227 PolarHBondContact N-O 3.08Å; E227-Q232 HydrophobicContact CB-CG 3.8Å
228G92.8Very high85.7Confident5 Ų563.1 Ų63.15%0.05236%0.358CS..  trans-68.5146.5173.800000113.4I165 N166 L230 G231 Q232I165-G228 CarbonylContact O-C 3.42Å; I165-G228 VanDerWaalsContact O-C 3.27Å; I165-G228 VanDerWaalsContact O-CA 3.31Å; I165-G228 WeakPolarHBondContact O-CA 3.21Å; N166-G228 VanDerWaalsContact C-CA 3.44Å; N166-G228 WeakPolarHBondContact O-CA 3.47Å; N166-G228 PolarHBondContact O-N 3.02Å; G228-L230 VanDerWaalsContact C-N 3.31Å; G228-L230 PolarHBondContact O-N 3.45Å; G228-G231 PolarHBondContact O-N 3.05Å; G228-Q232 WeakPolarHBondContact O-CG 3.38Å; G228-Q232 PolarHBondContact O-N 3.44Å
229C93.9Very high85.7Confident12 Ų1265.6 Ų65.68%0.08135%0.348CS..Hα-helixtrans-66.4-30.8179.8-63.60000113.4I155 Q156 L160 C162 G164 I165 Q232 A233I155-C229 HydrophobicContact CG2-CB 4.33Å; Q156-C229 VanDerWaalsContact CG-SG 3.5Å; L160-C229 HydrophobicContact CD1-CB 4.46Å; C162-C229 HydrophobicContact CB-CB 3.89Å; C162-C229 WeakPolarHBondContact CB-SG 3.49Å; C162-C229 WeakPolarHBondContact SG-CA 3.21Å; C162-C229 WeakPolarHBondContact SG-CB 3.22Å; C162-C229 CovalentContact SG-SG 2.03Å; C162-C229 PolarHBondContact SG-SG 3.41Å; G164-C229 WeakPolarHBondContact O-CB 3.49Å; G164-C229 PolarHBondContact O-N 3.14Å; G164-C229 PolarHBondContact O-SG 2.82Å; I165-C229 PolarHBondContact O-N 3.29Å; C229-Q232 PolarHBondContact O-N 3.44Å; C229-A233 WeakPolarHBondContact O-CB 3.48Å; C229-A233 PolarHBondContact O-N 3.23Å
230L89.3Confident85.3Confident31 Ų3160.9 Ų60.916%0.16232%0.324CS..Hα-helixtrans-62.6-45.9174.8-177.860.7000110.7L135 I165 G228 Q234L135-L230 HydrophobicContact CD1-CD1 3.9Å; L135-L230 HydrophobicContact CD1-CD2 4.45Å; I165-L230 HydrophobicContact CG2-CB 3.99Å; I165-L230 HydrophobicContact CG2-CD2 4.28Å; I165-L230 WeakPolarHBondContact O-CB 3.43Å; I165-L230 PolarHBondContact O-N 2.87Å; G228-L230 VanDerWaalsContact C-N 3.31Å; G228-L230 PolarHBondContact O-N 3.45Å; L230-Q234 WeakPolarHBondContact O-CB 3.43Å; L230-Q234 WeakPolarHBondContact O-CG 3.32Å; L230-Q234 PolarHBondContact O-N 3.23Å
231G85.9Confident84.5Confident29 Ų2958.9 Ų58.930%0.29931%0.314SS..Hα-helixtrans-65.2-43.817700000112.5G228 Q234 S235G228-G231 PolarHBondContact O-N 3.05Å; G231-Q234 PolarHBondContact O-N 3.35Å; G231-S235 WeakPolarHBondContact O-CB 3.27Å; G231-S235 PolarHBondContact O-N 3.33Å
232Q89.7Confident83.5Confident56 Ų5660.9 Ų60.926%0.26233%0.325SS..Hα-helixtrans-67.6-40178.4-71.1-78.976.500112.3L160 C162 E227 G228 C229 S235 W236L160-Q232 HydrophobicContact CB-CB 4.1Å; L160-Q232 PolarHBondContact O-NE2 3.33Å; C162-Q232 HydrophobicContact CB-CB 4.06Å; C162-Q232 HydrophobicContact CB-CG 3.88Å; E227-Q232 HydrophobicContact CB-CG 3.8Å; G228-Q232 WeakPolarHBondContact O-CG 3.38Å; G228-Q232 PolarHBondContact O-N 3.44Å; C229-Q232 PolarHBondContact O-N 3.44Å; Q232-S235 PolarHBondContact O-N 2.92Å; Q232-W236 WeakPolarHBondContact O-CB 3.49Å; Q232-W236 PolarHBondContact O-N 3.39Å
233A86.9Confident82.6Confident35 Ų3560.6 Ų60.629%0.28932%0.32SS..Hα-helixtrans-62.1-45175.200000110.8L160 C229 W236 L237L160-A233 HydrophobicContact CD1-CB 3.66Å; C229-A233 WeakPolarHBondContact O-CB 3.48Å; C229-A233 PolarHBondContact O-N 3.23Å; A233-W236 PolarHBondContact O-N 3.46Å; A233-L237 VanDerWaalsContact O-CB 3.29Å; A233-L237 WeakPolarHBondContact O-CB 3.31Å; A233-L237 PolarHBondContact O-N 2.95Å
234Q78Confident81.4Confident41 Ų4159.9 Ų59.919%0.19232%0.316CS..Hα-helixtrans-60.9-48.3174.5-73.3170.8-1.500111L230 G231 W236 L237 M238L230-Q234 WeakPolarHBondContact O-CB 3.43Å; L230-Q234 WeakPolarHBondContact O-CG 3.32Å; L230-Q234 PolarHBondContact O-N 3.23Å; G231-Q234 PolarHBondContact O-N 3.35Å; Q234-W236 PolarHBondContact O-N 2.72Å; Q234-L237 WeakPolarHBondContact O-CB 3.33Å; Q234-L237 PolarHBondContact O-N 2.75Å; Q234-M238 WeakPolarHBondContact O-CB 3.26Å; Q234-M238 WeakPolarHBondContact O-CG 3.48Å; Q234-M238 PolarHBondContact O-N 2.94Å
235S82.1Confident79.7Confident68 Ų6860.3 Ų60.348%0.47632%0.319SS..Hα-helixtrans-59.6-44.5177.9-174.20000112.4G231 Q232 M238 K239G231-S235 WeakPolarHBondContact O-CB 3.27Å; G231-S235 PolarHBondContact O-N 3.33Å; Q232-S235 PolarHBondContact O-N 2.92Å; S235-M238 PolarHBondContact O-N 2.74Å; S235-K239 WeakPolarHBondContact O-CB 3.5Å; S235-K239 PolarHBondContact O-N 2.93Å
236W84.2Confident78Confident99 Ų9962.2 Ų62.238%0.37534%0.335SS..Hα-helixtrans-61-45.6174.9179.994.1000111.4W159 L160 Q232 A233 Q234 K239 N240W159-W236 HydrophobicContact CZ2-CD2 4.41Å; W159-W236 HydrophobicContact CZ2-CE3 4.13Å; W159-W236 HydrophobicContact CZ2-CH2 4.18Å; W159-W236 HydrophobicContact CZ2-CZ2 4.42Å; W159-W236 HydrophobicContact CZ2-CZ3 4.02Å; W159-W236 AromaticContact NE1-CE2 3.69Å; W159-W236 AromaticContact NE1-CZ2 3.98Å; W159-W236 AromaticContact NE1-NE1 3.79Å; L160-W236 HydrophobicContact CD2-CB 3.95Å; L160-W236 HydrophobicContact CD2-CG 4.24Å; Q232-W236 WeakPolarHBondContact O-CB 3.49Å; Q232-W236 PolarHBondContact O-N 3.39Å; A233-W236 PolarHBondContact O-N 3.46Å; Q234-W236 PolarHBondContact O-N 2.72Å; W236-K239 PolarHBondContact O-N 3.03Å; W236-N240 HydrophobicContact CZ2-CB 4.46Å; W236-N240 PolarHBondContact NE1-ND2 3.28Å; W236-N240 WeakPolarHBondContact O-CB 3.48Å; W236-N240 PolarHBondContact O-N 3.29Å; W236-N240 PolarHBondContact O-ND2 3.42Å
237L76Confident76.6Confident69 Ų6962.8 Ų62.836%0.36134%0.341SS..Hα-helixtrans-60.5-51177.1-179.165.4000110.2A233 Q234 K239 N240 V241A233-L237 VanDerWaalsContact O-CB 3.29Å; A233-L237 WeakPolarHBondContact O-CB 3.31Å; A233-L237 PolarHBondContact O-N 2.95Å; Q234-L237 WeakPolarHBondContact O-CB 3.33Å; Q234-L237 PolarHBondContact O-N 2.75Å; L237-K239 PolarHBondContact O-N 2.86Å; L237-N240 PolarHBondContact O-N 3.41Å; L237-N240 VanDerWaalsContact O-N 3.16Å; L237-V241 WeakPolarHBondContact O-CA 2.93Å; L237-V241 WeakPolarHBondContact O-CB 3.4Å; L237-V241 PolarHBondContact O-N 2.87Å
238M69.1Low74.9Confident94 Ų9458.4 Ų58.446%0.46333%0.325SS..Hα-helixtrans-56.4-37.2178.2-67-70.9-56.700112.9Q234 S235 W275Q234-M238 WeakPolarHBondContact O-CB 3.26Å; Q234-M238 WeakPolarHBondContact O-CG 3.48Å; Q234-M238 PolarHBondContact O-N 2.94Å; S235-M238 PolarHBondContact O-N 2.74Å; M238-W275 HydrophobicContact CE-CB 4.18Å; M238-W275 HydrophobicContact CE-CG 3.8Å; M238-W275 HydrophobicContact SD-CB 3.67Å; M238-W275 HydrophobicContact SD-CD2 3.8Å; M238-W275 HydrophobicContact SD-CG 3.15Å; M238-W275 PolarHBondContact SD-NE1 2.79Å; M238-W275 VanDerWaalsContact SD-NE1 3.42Å
239K77.6Confident72.8Confident165 Ų16562 Ų6272%0.71734%0.342SS*.Hα-helixtrans-75-37.7179.5-173.2178.5179.7-177.40112.6S235 W236 L237S235-K239 WeakPolarHBondContact O-CB 3.5Å; S235-K239 PolarHBondContact O-N 2.93Å; W236-K239 PolarHBondContact O-N 3.03Å; L237-K239 PolarHBondContact O-N 2.86Å
240N75Confident70.8Confident49 Ų4964.7 Ų64.726%0.26237%0.371SS..Hα-helixtrans-98.7-10.2-174.2-67.8-77.8000113.5W236 L237 T242 V243 L244W236-N240 HydrophobicContact CZ2-CB 4.46Å; W236-N240 PolarHBondContact NE1-ND2 3.28Å; W236-N240 WeakPolarHBondContact O-CB 3.48Å; W236-N240 PolarHBondContact O-N 3.29Å; W236-N240 PolarHBondContact O-ND2 3.42Å; L237-N240 PolarHBondContact O-N 3.41Å; L237-N240 VanDerWaalsContact O-N 3.16Å; N240-T242 VanDerWaalsContact C-N 3.27Å; N240-T242 PolarHBondContact O-N 2.88Å; N240-V243 WeakPolarHBondContact O-CA 3.45Å; N240-V243 WeakPolarHBondContact O-CB 3.39Å; N240-V243 PolarHBondContact O-N 2.93Å; N240-L244 PolarHBondContact O-N 2.78Å
241V67.2Low69.2Low9 Ų969 Ų696%0.05540%0.399CS..Hα-helixtrans-66.8-30.7-176.370.10000112.4L237 V243 L244 C245 W275L237-V241 WeakPolarHBondContact O-CA 2.93Å; L237-V241 WeakPolarHBondContact O-CB 3.4Å; L237-V241 PolarHBondContact O-N 2.87Å; V241-V243 VanDerWaalsContact C-N 3.26Å; V241-V243 PolarHBondContact O-N 3.32Å; V241-L244 PolarHBondContact O-N 2.98Å; V241-C245 WeakPolarHBondContact O-CB 3.29Å; V241-C245 PolarHBondContact O-N 3.46Å; V241-C245 PolarHBondContact O-SG 3.1Å; V241-W275 HydrophobicContact CB-CZ2 3.81Å; V241-W275 HydrophobicContact CG1-CZ2 3.56Å; V241-W275 HydrophobicContact CG2-CH2 3.73Å; V241-W275 HydrophobicContact CG2-CZ2 3.32Å
242T60.2Low67.3Low82 Ų8270.2 Ų70.250%0.50341%0.406SS..Hα-helixtrans-62.3-36.9171.552.20000111.3N240 S246N240-T242 VanDerWaalsContact C-N 3.27Å; N240-T242 PolarHBondContact O-N 2.88Å; T242-S246 WeakPolarHBondContact O-CA 3.48Å; T242-S246 WeakPolarHBondContact O-CB 3.37Å; T242-S246 PolarHBondContact O-N 3.48Å; T242-S246 PolarHBondContact O-OG 3.28Å; T242-S246 VanDerWaalsContact O-OG 3.1Å
243V68.2Low65.2Low76 Ų7671.1 Ų71.146%0.46142%0.415SS..Hα-helixtrans-68.8-47.6174.8-178.50000110.4N240 V241 S246 L247N240-V243 WeakPolarHBondContact O-CA 3.45Å; N240-V243 WeakPolarHBondContact O-CB 3.39Å; N240-V243 PolarHBondContact O-N 2.93Å; V241-V243 VanDerWaalsContact C-N 3.26Å; V241-V243 PolarHBondContact O-N 3.32Å; V243-S246 VanDerWaalsContact CA-OG 3.32Å; V243-S246 WeakPolarHBondContact CA-OG 3.5Å; V243-S246 PolarHBondContact O-N 3.16Å; V243-S246 PolarHBondContact O-OG 3.02Å; V243-L247 HydrophobicContact CG1-CD1 4.11Å; V243-L247 HydrophobicContact CG1-CG 4.5Å; V243-L247 WeakPolarHBondContact O-CG 3.15Å; V243-L247 PolarHBondContact O-N 3.47Å
244L62.9Low63.2Low86 Ų8677.7 Ų77.745%0.4544%0.444SS..Hα-helixtrans-60.3-48.3177.5-68.2171.8000112N240 V241 S246 L247 A248N240-L244 PolarHBondContact O-N 2.78Å; V241-L244 PolarHBondContact O-N 2.98Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-L247 PolarHBondContact O-N 3.28Å; L244-A248 PolarHBondContact O-N 3.24Å; L244-A248 VanDerWaalsContact O-N 3.14Å
245C57.6Low61.4Low9 Ų982.9 Ų82.96%0.06147%0.469CS..Hα-helixtrans-63.6-39.6174-69.10000110.9V241 A248 M249 A282V241-C245 WeakPolarHBondContact O-CB 3.29Å; V241-C245 PolarHBondContact O-N 3.46Å; V241-C245 PolarHBondContact O-SG 3.1Å; C245-A248 PolarHBondContact O-N 3.02Å; C245-M249 HydrophobicContact CB-SD 4.31Å; C245-M249 WeakPolarHBondContact O-CA 3.26Å; C245-M249 WeakPolarHBondContact O-CB 3.44Å; C245-M249 WeakPolarHBondContact O-CG 3Å; C245-M249 PolarHBondContact O-N 3.35Å; C245-A282 HydrophobicContact CB-CB 4.34Å
246S57.6Low59.9Low64 Ų6484.8 Ų84.845%0.44848%0.482SS..Hα-helixtrans-68.4-33.9177.772.10000113.3T242 V243 L244 A248 G250T242-S246 WeakPolarHBondContact O-CA 3.48Å; T242-S246 WeakPolarHBondContact O-CB 3.37Å; T242-S246 PolarHBondContact O-N 3.48Å; T242-S246 PolarHBondContact O-OG 3.28Å; T242-S246 VanDerWaalsContact O-OG 3.1Å; V243-S246 VanDerWaalsContact CA-OG 3.32Å; V243-S246 WeakPolarHBondContact CA-OG 3.5Å; V243-S246 PolarHBondContact O-N 3.16Å; V243-S246 PolarHBondContact O-OG 3.02Å; L244-S246 VanDerWaalsContact C-N 3.34Å; S246-A248 VanDerWaalsContact C-N 3.33Å; S246-G250 WeakPolarHBondContact O-CA 2.99Å; S246-G250 PolarHBondContact O-N 2.93Å
247L62.7Low57.7Low116 Ų11686.2 Ų86.261%0.60750%0.504SS*.Hα-helixtrans-66.6-39.9174.6-77.5167000110.6V243 L244V243-L247 HydrophobicContact CG1-CD1 4.11Å; V243-L247 HydrophobicContact CG1-CG 4.5Å; V243-L247 WeakPolarHBondContact O-CG 3.15Å; V243-L247 PolarHBondContact O-N 3.47Å; L244-L247 PolarHBondContact O-N 3.28Å
248A55.7Low56.3Low31 Ų3188.1 Ų88.126%0.25653%0.53SS..Hα-helixtrans-78.6-35.2176.900000113.9L244 C245 S246 V251 A252 L286L244-A248 PolarHBondContact O-N 3.24Å; L244-A248 VanDerWaalsContact O-N 3.14Å; C245-A248 PolarHBondContact O-N 3.02Å; S246-A248 VanDerWaalsContact C-N 3.33Å; A248-V251 WeakPolarHBondContact O-CB 3.46Å; A248-V251 PolarHBondContact O-N 3.44Å; A248-A252 PolarHBondContact O-N 3.08Å; A248-L286 HydrophobicContact CB-CD2 3.09Å; A248-L286 HydrophobicContact CB-CG 4.14Å
249M48.3Very low54.9Low81 Ų8188 Ų8840%0.39954%0.544SS..Hα-helixtrans-73.4-28.8174.6-73.6170.960.700111.9C245 V251 A252 V253C245-M249 HydrophobicContact CB-SD 4.31Å; C245-M249 WeakPolarHBondContact O-CA 3.26Å; C245-M249 WeakPolarHBondContact O-CB 3.44Å; C245-M249 WeakPolarHBondContact O-CG 3Å; C245-M249 PolarHBondContact O-N 3.35Å; M249-V251 PolarHBondContact O-N 3.35Å; M249-A252 WeakPolarHBondContact O-CA 3.47Å; M249-A252 PolarHBondContact O-N 2.03Å; M249-V253 PolarHBondContact O-N 2.04Å
250G53.6Low53.1Low68 Ų6886 Ų8670%0.70155%0.549SS*.Hα-helixtrans-65-21.6172.300000113S246S246-G250 WeakPolarHBondContact O-CA 2.99Å; S246-G250 PolarHBondContact O-N 2.93Å
251V54.8Low51.4Low123 Ų12390.7 Ų90.775%0.74557%0.573SS**Hα-helixtrans-83-22.6168.31770000111.7A248 M249A248-V251 WeakPolarHBondContact O-CB 3.46Å; A248-V251 PolarHBondContact O-N 3.44Å; M249-V251 PolarHBondContact O-N 3.35Å
252A47Very low50.2Low53 Ų5398.1 Ų98.144%0.43861%0.605SS.*Hα-helixtrans-96.9-48.8-172.400000114.7A248 M249A248-A252 PolarHBondContact O-N 3.08Å; M249-A252 WeakPolarHBondContact O-CA 3.47Å; M249-A252 PolarHBondContact O-N 2.03Å
253V43.6Very low49.2Very low76 Ų76101.3 Ų101.346%0.46162%0.617SS.*  trans-163.7124.5-168.9-140.10000108.7M249 Q255M249-V253 PolarHBondContact O-N 2.04Å; V253-Q255 HydrophobicContact CB-CB 4.28Å; V253-Q255 HydrophobicContact CG1-CB 3.88Å; V253-Q255 HydrophobicContact CG1-CG 4.46Å; V253-Q255 PolarHBondContact O-N 3.39Å; V253-Q255 VanDerWaalsContact O-N 3.15Å
254L46.4Very low48.4Very low172 Ų172102.4 Ų102.490%0.90161%0.614SS**  44.923.562.3-114.6164.9000114.5
255Q40.6Very low47.5Very low151 Ų151104.4 Ų104.471%0.70663%0.633SS**  trans-164.598169.7-106.9144.542.800114.7V253V253-Q255 HydrophobicContact CB-CB 4.28Å; V253-Q255 HydrophobicContact CG1-CB 3.88Å; V253-Q255 HydrophobicContact CG1-CG 4.46Å; V253-Q255 PolarHBondContact O-N 3.39Å; V253-Q255 VanDerWaalsContact O-N 3.15Å
256S48.8Very low47Very low107 Ų107110.8 Ų110.875%0.74866%0.662SS**  trans50.3133.2149.260.90000122.4
257P38.7Very low46.7Very low129 Ų129110.2 Ų110.284%0.83867%0.667SS**  trans-96.5144.3176.837.6-30000112.5
258A46.9Very low46.5Very low109 Ų109108.2 Ų108.290%0.90166%0.662SS**  trans-157.6108.1153.600000110.6
259A38.8Very low46.5Very low92 Ų92108.4 Ų108.476%0.7666%0.659SS**  trans-131.6128.4162.700000107.9
260C40.6Very low47.1Very low122 Ų122109.9 Ų109.982%0.82466%0.664SS**  trans-148.5139.3160.1-164.20000112.2
261L38.5Very low47.3Very low148 Ų148111.3 Ų111.378%0.77565%0.649SS**  trans-13.4135.8178-85.878.5000120.6
262K42Very low47.6Very low166 Ų166106.8 Ų106.872%0.72263%0.627SS**  trans-152132.4133.1-120.8-178.7-176.7177.50112.4Y264K262-Y264 HydrophobicContact CB-CD2 4.38Å; K262-Y264 HydrophobicContact CB-CE2 3.65Å; K262-Y264 HydrophobicContact CD-CE2 4.37Å; K262-Y264 WeakPolarHBondContact CD-OH 3.23Å; K262-Y264 HydrophobicContact CG-CE2 4.48Å
263I40.9Very low48.3Very low149 Ų149105.4 Ų105.476%0.76461%0.612SS**  trans-76.7138.1173.3-61.7163.8000108.4
264Y50.9Low49.2Very low98 Ų98104.3 Ų104.338%0.38461%0.605SS.*  trans-133.3156.4173.1-72.4-81.9000111.2K262 R271 R278K262-Y264 HydrophobicContact CB-CD2 4.38Å; K262-Y264 HydrophobicContact CB-CE2 3.65Å; K262-Y264 HydrophobicContact CD-CE2 4.37Å; K262-Y264 WeakPolarHBondContact CD-OH 3.23Å; K262-Y264 HydrophobicContact CG-CE2 4.48Å; Y264-R271 PolarHBondContact O-NH1 3.1Å; Y264-R271 PolarHBondContact O-NH2 2.86Å; Y264-R278 PolarHBondContact OH-NH2 3.46Å
265C42.8Very low49.7Very low128 Ų12897.6 Ų97.687%0.86557%0.568SS**  trans-116.610.8-174.2-67.10000114.7
266E46.9Very low50.9Low143 Ų14393.1 Ų93.167%0.66855%0.549SS*.SBendtrans-101.1161.3-177.3-64.6175-178.300114.7R271E266-R271 PolarHBondContact O-NE 2.75Å; E266-R271 PolarHBondContact O-NH2 3.18Å
267G51.8Low51.7Low53 Ų5394.3 Ų94.355%0.54654%0.543SS..  trans-53.6143.3-169.200000117.2L269 Q270 R271G267-L269 PolarHBondContact O-N 2.99Å; G267-Q270 PolarHBondContact O-N 3.16Å; G267-R271 PolarHBondContact O-N 3.11Å
268C58.6Low52.8Low74 Ų7495.4 Ų95.450%0.553%0.53SS..Hα-helixtrans-65.2-35.4-161.6-57.90000114.9R271 G272C268-R271 WeakPolarHBondContact O-CB 3.3Å; C268-R271 PolarHBondContact O-N 2.82Å; C268-G272 PolarHBondContact O-N 2.92Å
269L56.7Low53.5Low35 Ų3592.2 Ų92.218%0.18350%0.498CS..Hα-helixtrans-81.1-28.5-175-16248.6000112.8K128 E132 G267 R271 G272 L273K128-L269 HydrophobicContact CD-CB 4.49Å; K128-L269 HydrophobicContact CD-CD1 4.28Å; K128-L269 HydrophobicContact CD-CD2 3.66Å; K128-L269 HydrophobicContact CD-CG 3.45Å; K128-L269 VanDerWaalsContact CD-CG 3.45Å; K128-L269 HydrophobicContact CG-CD1 3.89Å; K128-L269 HydrophobicContact CG-CD2 3.28Å; K128-L269 HydrophobicContact CG-CG 3.43Å; K128-L269 VanDerWaalsContact CG-CG 3.43Å; E132-L269 VanDerWaalsContact CD-CD2 3.46Å; E132-L269 HydrophobicContact CG-CD2 4.02Å; E132-L269 WeakPolarHBondContact OE1-CD2 3.25Å; G267-L269 PolarHBondContact O-N 2.99Å; L269-R271 VanDerWaalsContact C-N 3.3Å; L269-G272 PolarHBondContact O-N 3.3Å; L269-L273 PolarHBondContact O-N 3.3Å
270Q60.4Low55Low112 Ų11293.2 Ų93.252%0.52349%0.485SS..Hα-helixtrans-66.9-36.5166.2-159.874.9-15.400110.4G267 L273 V274G267-Q270 PolarHBondContact O-N 3.16Å; Q270-L273 WeakPolarHBondContact O-CB 3.48Å; Q270-L273 PolarHBondContact O-N 3.47Å; Q270-V274 VanDerWaalsContact O-CG2 3.31Å; Q270-V274 WeakPolarHBondContact O-CG2 3.37Å; Q270-V274 PolarHBondContact O-N 3.25Å
271R57.2Low56.4Low98 Ų9890.3 Ų90.337%0.3748%0.475SS..Hα-helixtrans-67.3-35.2174.3-70-164.5-161.6162.919.7113.6Y264 E266 G267 C268 L269 L273 V274 W275Y264-R271 PolarHBondContact O-NH1 3.1Å; Y264-R271 PolarHBondContact O-NH2 2.86Å; E266-R271 PolarHBondContact O-NE 2.75Å; E266-R271 PolarHBondContact O-NH2 3.18Å; G267-R271 PolarHBondContact O-N 3.11Å; C268-R271 WeakPolarHBondContact O-CB 3.3Å; C268-R271 PolarHBondContact O-N 2.82Å; L269-R271 VanDerWaalsContact C-N 3.3Å; R271-L273 VanDerWaalsContact C-N 3.31Å; R271-V274 PolarHBondContact O-N 2.87Å; R271-W275 WeakPolarHBondContact O-CB 3.23Å; R271-W275 PolarHBondContact O-N 3.43Å
272G60.8Low57.8Low28 Ų2884.3 Ų84.329%0.28945%0.447SS..Hα-helixtrans-58.9-44.5172.500000111.7C268 L269 W275 L276C268-G272 PolarHBondContact O-N 2.92Å; L269-G272 PolarHBondContact O-N 3.3Å; G272-W275 PolarHBondContact O-N 2.98Å; G272-L276 WeakPolarHBondContact O-CB 3.46Å; G272-L276 PolarHBondContact O-N 3.31Å
273L63.2Low59.3Low23 Ų2379.8 Ų79.812%0.1243%0.429CS..Hα-helixtrans-63.9-46.2174.9-78.8154.4000112.7K124 K128 L269 Q270 R271 W275 L276 E277K124-L273 HydrophobicContact CB-CD2 3.62Å; K124-L273 HydrophobicContact CD-CD2 3.35Å; K124-L273 HydrophobicContact CG-CD2 3.42Å; K124-L273 VanDerWaalsContact CG-CD2 3.42Å; K128-L273 HydrophobicContact CD-CD1 4.04Å; L269-L273 PolarHBondContact O-N 3.3Å; Q270-L273 WeakPolarHBondContact O-CB 3.48Å; Q270-L273 PolarHBondContact O-N 3.47Å; R271-L273 VanDerWaalsContact C-N 3.31Å; L273-W275 VanDerWaalsContact C-N 3.29Å; L273-W275 PolarHBondContact O-N 2.66Å; L273-L276 WeakPolarHBondContact O-CB 3.48Å; L273-L276 PolarHBondContact O-N 3.38Å; L273-E277 WeakPolarHBondContact O-CB 3.18Å; L273-E277 PolarHBondContact O-N 2.95Å
274V61.4Low61Low54 Ų5474 Ų7433%0.32741%0.407SS..Hα-helixtrans-65.8-33.5175.91720000111.4Q270 R271 E277 R278Q270-V274 VanDerWaalsContact O-CG2 3.31Å; Q270-V274 WeakPolarHBondContact O-CG2 3.37Å; Q270-V274 PolarHBondContact O-N 3.25Å; R271-V274 PolarHBondContact O-N 2.87Å; V274-E277 PolarHBondContact O-N 3.19Å; V274-R278 HydrophobicContact CG1-CG 4.38Å; V274-R278 WeakPolarHBondContact O-CB 3.31Å; V274-R278 VanDerWaalsContact O-CG 3.23Å; V274-R278 WeakPolarHBondContact O-CG 3.49Å; V274-R278 PolarHBondContact O-N 3.36Å
275W57.4Low62.2Low31 Ų3171.4 Ų71.412%0.11741%0.405CS..Hα-helixtrans-67.5-44.2174.5174.279.6000111.5M238 V241 R271 G272 L273 E277 R278 N279 M283M238-W275 HydrophobicContact CE-CB 4.18Å; M238-W275 HydrophobicContact CE-CG 3.8Å; M238-W275 HydrophobicContact SD-CB 3.67Å; M238-W275 HydrophobicContact SD-CD2 3.8Å; M238-W275 HydrophobicContact SD-CG 3.15Å; M238-W275 PolarHBondContact SD-NE1 2.79Å; M238-W275 VanDerWaalsContact SD-NE1 3.42Å; V241-W275 HydrophobicContact CB-CZ2 3.81Å; V241-W275 HydrophobicContact CG1-CZ2 3.56Å; V241-W275 HydrophobicContact CG2-CH2 3.73Å; V241-W275 HydrophobicContact CG2-CZ2 3.32Å; R271-W275 WeakPolarHBondContact O-CB 3.23Å; R271-W275 PolarHBondContact O-N 3.43Å; G272-W275 PolarHBondContact O-N 2.98Å; L273-W275 VanDerWaalsContact C-N 3.29Å; L273-W275 PolarHBondContact O-N 2.66Å; W275-E277 VanDerWaalsContact C-N 3.26Å; W275-E277 PolarHBondContact O-N 2.99Å; W275-R278 PolarHBondContact O-N 3.47Å; W275-N279 HydrophobicContact CD2-CB 4.47Å; W275-N279 HydrophobicContact CH2-CB 4.28Å; W275-N279 HydrophobicContact CZ2-CB 3.77Å; W275-N279 PolarHBondContact NE1-ND2 2.87Å; W275-N279 WeakPolarHBondContact O-CB 3.27Å; W275-N279 PolarHBondContact O-N 3.27Å; W275-N279 PolarHBondContact O-ND2 3.01Å; W275-M283 HydrophobicContact CH2-CG 4.31Å; W275-M283 HydrophobicContact CH2-SD 3.79Å; W275-M283 HydrophobicContact CZ3-SD 3.6Å
276L64.9Low63.9Low56 Ų5668 Ų6829%0.29338%0.379SS..Hα-helixtrans-58.7-42.1174.1-172116.8000110.3G272 L273 N279 F280 M283G272-L276 WeakPolarHBondContact O-CB 3.46Å; G272-L276 PolarHBondContact O-N 3.31Å; L273-L276 WeakPolarHBondContact O-CB 3.48Å; L273-L276 PolarHBondContact O-N 3.38Å; L276-N279 CarbonylContact O-C 3.59Å; L276-F280 VanDerWaalsContact O-CA 3.26Å; L276-F280 WeakPolarHBondContact O-CA 3.27Å; L276-F280 WeakPolarHBondContact O-CB 3.31Å; L276-F280 PolarHBondContact O-N 3.09Å; L276-M283 HydrophobicContact CD1-CE 3.68Å; L276-M283 HydrophobicContact CD1-SD 3.78Å; L276-M283 HydrophobicContact CG-CE 4.5Å; L276-M283 HydrophobicContact CG-SD 4.07Å
277E66.6Low65.6Low133 Ų13363 Ų6362%0.62136%0.362SS*.Hα-helixtrans-67.2-37.5175.7-164.7169.5-16200112.5L273 V274 W275 F280L273-E277 WeakPolarHBondContact O-CB 3.18Å; L273-E277 PolarHBondContact O-N 2.95Å; V274-E277 PolarHBondContact O-N 3.19Å; W275-E277 VanDerWaalsContact C-N 3.26Å; W275-E277 PolarHBondContact O-N 2.99Å; E277-F280 VanDerWaalsContact O-CB 3.28Å; E277-F280 WeakPolarHBondContact O-CB 3.37Å
278R62Low67Low151 Ų15164.3 Ų64.357%0.5736%0.362SS*.Hα-helixtrans-74.9-33.5177-76.2177.2-176.7-157.52.7113.9Y264 V274 W275 F280Y264-R278 PolarHBondContact OH-NH2 3.46Å; V274-R278 HydrophobicContact CG1-CG 4.38Å; V274-R278 WeakPolarHBondContact O-CB 3.31Å; V274-R278 VanDerWaalsContact O-CG 3.23Å; V274-R278 WeakPolarHBondContact O-CG 3.49Å; V274-R278 PolarHBondContact O-N 3.36Å; W275-R278 PolarHBondContact O-N 3.47Å; R278-F280 VanDerWaalsContact C-N 3.34Å
279N61.9Low68.1Low42 Ų4263.2 Ų63.223%0.22535%0.353CS..SBendtrans-100.112.2179.1-67.8-97.4000111.7W275 L276 G281 A282 M283W275-N279 HydrophobicContact CD2-CB 4.47Å; W275-N279 HydrophobicContact CH2-CB 4.28Å; W275-N279 HydrophobicContact CZ2-CB 3.77Å; W275-N279 PolarHBondContact NE1-ND2 2.87Å; W275-N279 WeakPolarHBondContact O-CB 3.27Å; W275-N279 PolarHBondContact O-N 3.27Å; W275-N279 PolarHBondContact O-ND2 3.01Å; L276-N279 CarbonylContact O-C 3.59Å; N279-G281 PolarHBondContact O-N 3.34Å; N279-G281 VanDerWaalsContact O-N 3.12Å; N279-A282 PolarHBondContact O-N 3.23Å; N279-M283 PolarHBondContact O-N 3.33Å
280F70.6Confident69.4Low114 Ų11465.3 Ų65.350%0.536%0.364SS..Hα-helixtrans-53.5-36.5179.9-167.6-96.4000111.5F121 L276 E277 R278 G284F121-F280 AromaticContact CD2-CE2 3.96Å; F121-F280 HydrophobicContact CD2-CE2 3.96Å; F121-F280 HydrophobicContact CE2-CE2 4.03Å; L276-F280 VanDerWaalsContact O-CA 3.26Å; L276-F280 WeakPolarHBondContact O-CA 3.27Å; L276-F280 WeakPolarHBondContact O-CB 3.31Å; L276-F280 PolarHBondContact O-N 3.09Å; E277-F280 VanDerWaalsContact O-CB 3.28Å; E277-F280 WeakPolarHBondContact O-CB 3.37Å; R278-F280 VanDerWaalsContact C-N 3.34Å; F280-G284 WeakPolarHBondContact O-CA 2.85Å; F280-G284 PolarHBondContact O-N 2.58Å
281G69.4Low70.8Confident60 Ų6061.5 Ų61.562%0.61935%0.348SS*.Hα-helixtrans-63.3-45.917400000113.8N279 A285N279-G281 PolarHBondContact O-N 3.34Å; N279-G281 VanDerWaalsContact O-N 3.12Å; G281-A285 WeakPolarHBondContact O-CB 3.43Å; G281-A285 PolarHBondContact O-N 2.91Å
282A68.5Low72.2Confident22 Ų2259 Ų5918%0.18235%0.349CS..Hα-helixtrans-72.9-41-179.100000112.1C245 N279 G284 A285 L286C245-A282 HydrophobicContact CB-CB 4.34Å; N279-A282 PolarHBondContact O-N 3.23Å; A282-G284 VanDerWaalsContact C-N 3.34Å; A282-A285 PolarHBondContact O-N 3.36Å; A282-L286 PolarHBondContact O-N 2.74Å
283M71.8Confident73.4Confident71 Ų7163 Ų6335%0.3536%0.362SS..Hα-helixtrans-64.8-40.9172.9-67.5-175.168.100111.4W275 L276 N279 A285 L286 A287W275-M283 HydrophobicContact CH2-CG 4.31Å; W275-M283 HydrophobicContact CH2-SD 3.79Å; W275-M283 HydrophobicContact CZ3-SD 3.6Å; L276-M283 HydrophobicContact CD1-CE 3.68Å; L276-M283 HydrophobicContact CD1-SD 3.78Å; L276-M283 HydrophobicContact CG-CE 4.5Å; L276-M283 HydrophobicContact CG-SD 4.07Å; N279-M283 PolarHBondContact O-N 3.33Å; M283-A285 VanDerWaalsContact C-N 3.33Å; M283-A285 PolarHBondContact O-N 3.21Å; M283-L286 WeakPolarHBondContact O-CB 3.27Å; M283-L286 PolarHBondContact O-N 3.06Å; M283-A287 WeakPolarHBondContact O-CB 3.43Å; M283-A287 PolarHBondContact O-N 2.86Å
284G78.1Confident74.7Confident28 Ų2863.3 Ų63.329%0.28936%0.363SS..Hα-helixtrans-62.5-38.717400000112.1F280 A282 S288F280-G284 WeakPolarHBondContact O-CA 2.85Å; F280-G284 PolarHBondContact O-N 2.58Å; A282-G284 VanDerWaalsContact C-N 3.34Å; G284-S288 WeakPolarHBondContact O-CB 3.44Å; G284-S288 PolarHBondContact O-N 3.14Å; G284-S288 PolarHBondContact O-OG 2.81Å
285A75.6Confident76Confident43 Ų4364.5 Ų64.536%0.35537%0.367SS..Hα-helixtrans-66.7-41.717500000112.3G281 A282 M283 S288 T289G281-A285 WeakPolarHBondContact O-CB 3.43Å; G281-A285 PolarHBondContact O-N 2.91Å; A282-A285 PolarHBondContact O-N 3.36Å; M283-A285 VanDerWaalsContact C-N 3.33Å; M283-A285 PolarHBondContact O-N 3.21Å; A285-S288 PolarHBondContact O-N 2.82Å; A285-T289 WeakPolarHBondContact O-CB 3.47Å; A285-T289 PolarHBondContact O-N 3.32Å; A285-T289 PolarHBondContact O-OG1 3.3Å
286L77.6Confident77.5Confident58 Ų5868.7 Ų68.730%0.30439%0.391SS..Hα-helixtrans-58.6-54.6172.8-85.7171.5000111.8A248 A282 M283 S288 T289 I290A248-L286 HydrophobicContact CB-CD2 3.09Å; A248-L286 HydrophobicContact CB-CG 4.14Å; A282-L286 PolarHBondContact O-N 2.74Å; M283-L286 WeakPolarHBondContact O-CB 3.27Å; M283-L286 PolarHBondContact O-N 3.06Å; L286-S288 VanDerWaalsContact C-N 3.31Å; L286-S288 PolarHBondContact O-N 3.12Å; L286-T289 WeakPolarHBondContact O-CB 3.43Å; L286-T289 PolarHBondContact O-N 2.81Å; L286-T289 VanDerWaalsContact O-N 3.1Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 3.26Å
287A82.6Confident78.5Confident38 Ų3866.7 Ų66.731%0.31438%0.383SS..Hα-helixtrans-58.7-44177.100000111.2M283 T289 I290 V291M283-A287 WeakPolarHBondContact O-CB 3.43Å; M283-A287 PolarHBondContact O-N 2.86Å; A287-T289 VanDerWaalsContact C-N 3.27Å; A287-T289 PolarHBondContact O-N 3.01Å; A287-I290 PolarHBondContact O-N 3.01Å; A287-V291 WeakPolarHBondContact O-CB 3.12Å; A287-V291 VanDerWaalsContact O-CG2 3.29Å; A287-V291 WeakPolarHBondContact O-CG2 3.42Å; A287-V291 PolarHBondContact O-N 3Å
288S82.8Confident79.7Confident79 Ų7962 Ų6255%0.55236%0.362SS*.Hα-helixtrans-61.8-35.2176.7-60.80000112.5G284 A285 L286 A292G284-S288 WeakPolarHBondContact O-CB 3.44Å; G284-S288 PolarHBondContact O-N 3.14Å; G284-S288 PolarHBondContact O-OG 2.81Å; A285-S288 PolarHBondContact O-N 2.82Å; L286-S288 VanDerWaalsContact C-N 3.31Å; L286-S288 PolarHBondContact O-N 3.12Å; S288-A292 VanDerWaalsContact O-CB 3.26Å; S288-A292 WeakPolarHBondContact O-CB 3.4Å; S288-A292 PolarHBondContact O-N 3.34Å
289T80.5Confident81.2Confident52 Ų5257.7 Ų57.732%0.31936%0.355SS..Hα-helixtrans-68.5-43.5176.5-56.40000110.9A285 L286 A287 A292 I293A285-T289 WeakPolarHBondContact O-CB 3.47Å; A285-T289 PolarHBondContact O-N 3.32Å; A285-T289 PolarHBondContact O-OG1 3.3Å; L286-T289 WeakPolarHBondContact O-CB 3.43Å; L286-T289 PolarHBondContact O-N 2.81Å; L286-T289 VanDerWaalsContact O-N 3.1Å; A287-T289 VanDerWaalsContact C-N 3.27Å; A287-T289 PolarHBondContact O-N 3.01Å; T289-A292 PolarHBondContact O-N 3.46Å; T289-I293 HydrophobicContact CG2-CD1 4.11Å; T289-I293 VanDerWaalsContact O-CG1 3.29Å; T289-I293 WeakPolarHBondContact O-CG1 3.48Å; T289-I293 PolarHBondContact O-N 2.75Å
290I84.6Confident82.5Confident79 Ų7961.1 Ų61.141%0.40537%0.368SS..Hα-helixtrans-61.7-51.8176.3-65.6167.9000109.8E113 L286 A287 A292 I293 E294E113-I290 WeakPolarHBondContact OE2-CG2 3.41Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 3.26Å; A287-I290 PolarHBondContact O-N 3.01Å; I290-A292 VanDerWaalsContact C-N 3.28Å; I290-A292 PolarHBondContact O-N 2.89Å; I290-I293 WeakPolarHBondContact O-CB 3.18Å; I290-I293 PolarHBondContact O-N 2.8Å; I290-E294 WeakPolarHBondContact O-CG 3.01Å; I290-E294 PolarHBondContact O-N 3.32Å
291V88.6Confident83.4Confident31 Ų3155.8 Ų55.819%0.18834%0.344CS..Hα-helixtrans-55.2-42.6175.9167.80000111.5L110 A287 E294 I295L110-V291 HydrophobicContact CD1-CG1 4.06Å; A287-V291 WeakPolarHBondContact O-CB 3.12Å; A287-V291 VanDerWaalsContact O-CG2 3.29Å; A287-V291 WeakPolarHBondContact O-CG2 3.42Å; A287-V291 PolarHBondContact O-N 3Å; V291-E294 PolarHBondContact O-N 2.98Å; V291-I295 HydrophobicContact CG1-CD1 3.69Å; V291-I295 HydrophobicContact CG1-CG1 4.41Å; V291-I295 WeakPolarHBondContact O-CB 3.38Å; V291-I295 VanDerWaalsContact O-CG1 3.23Å; V291-I295 WeakPolarHBondContact O-CG1 3.5Å; V291-I295 PolarHBondContact O-N 2.95Å
292A87.5Confident84.5Confident46 Ų4656.1 Ų56.138%0.3833%0.33SS..Hα-helixtrans-63.9-42.4176.700000112.3S288 T289 I290 I295 L296S288-A292 VanDerWaalsContact O-CB 3.26Å; S288-A292 WeakPolarHBondContact O-CB 3.4Å; S288-A292 PolarHBondContact O-N 3.34Å; T289-A292 PolarHBondContact O-N 3.46Å; I290-A292 VanDerWaalsContact C-N 3.28Å; I290-A292 PolarHBondContact O-N 2.89Å; A292-I295 PolarHBondContact O-N 3.23Å; A292-L296 WeakPolarHBondContact O-CB 3.16Å; A292-L296 WeakPolarHBondContact O-CG 3.25Å; A292-L296 PolarHBondContact O-N 3.37Å
293I85.7Confident85.6Confident111 Ų11159.8 Ų59.857%0.56935%0.347SS*.Hα-helixtrans-62.4-43.5176.6-69.6165.2000110.7T289 I290 L296 G297T289-I293 HydrophobicContact CG2-CD1 4.11Å; T289-I293 VanDerWaalsContact O-CG1 3.29Å; T289-I293 WeakPolarHBondContact O-CG1 3.48Å; T289-I293 PolarHBondContact O-N 2.75Å; I290-I293 WeakPolarHBondContact O-CB 3.18Å; I290-I293 PolarHBondContact O-N 2.8Å; I293-L296 PolarHBondContact O-N 3.44Å; I293-G297 PolarHBondContact O-N 3.06Å
294E89.9Confident86.5Confident31 Ų3157.7 Ų57.715%0.14534%0.337CS..Hα-helixtrans-64.3-46.5177.8-69.5-169.415300112.1V106 L110 I290 V291 L296 G297 I298V106-E294 HydrophobicContact CG1-CB 3.77Å; V106-E294 HydrophobicContact CG1-CG 4.03Å; L110-E294 VanDerWaalsContact CA-OE2 3.26Å; L110-E294 WeakPolarHBondContact CA-OE2 3.35Å; L110-E294 VanDerWaalsContact CB-OE2 3.27Å; L110-E294 WeakPolarHBondContact CB-OE2 3.45Å; L110-E294 HydrophobicContact CD1-CB 3.95Å; L110-E294 WeakPolarHBondContact CD1-OE2 3.43Å; I290-E294 WeakPolarHBondContact O-CG 3.01Å; I290-E294 PolarHBondContact O-N 3.32Å; V291-E294 PolarHBondContact O-N 2.98Å; E294-L296 VanDerWaalsContact C-N 3.33Å; E294-L296 PolarHBondContact O-N 3.44Å; E294-G297 PolarHBondContact O-N 3.09Å; E294-I298 WeakPolarHBondContact O-CG1 3.33Å; E294-I298 PolarHBondContact O-N 3.3Å
295I90.4Very high87.1Confident79 Ų7960 Ų6041%0.40534%0.337SS..Hα-helixtrans-60.5-44.5176.2-68.9168.4000110.4L110 V291 A292 G297 I298 C299L110-I295 HydrophobicContact CD1-CD1 4.47Å; L110-I295 HydrophobicContact CD1-CG1 3.9Å; V291-I295 HydrophobicContact CG1-CD1 3.69Å; V291-I295 HydrophobicContact CG1-CG1 4.41Å; V291-I295 WeakPolarHBondContact O-CB 3.38Å; V291-I295 VanDerWaalsContact O-CG1 3.23Å; V291-I295 WeakPolarHBondContact O-CG1 3.5Å; V291-I295 PolarHBondContact O-N 2.95Å; A292-I295 PolarHBondContact O-N 3.23Å; I295-G297 VanDerWaalsContact C-N 3.32Å; I295-G297 PolarHBondContact O-N 3.03Å; I295-I298 PolarHBondContact O-N 2.94Å; I295-C299 WeakPolarHBondContact O-CB 3.35Å; I295-C299 PolarHBondContact O-N 2.98Å; I295-C299 PolarHBondContact O-SG 3.32Å
296L88.6Confident87.9Confident119 Ų11961.3 Ų61.362%0.62334%0.343SS*.Hα-helixtrans-59.9-42.9175.9-75.4171.6000111.5A292 I293 E294 C299 F300A292-L296 WeakPolarHBondContact O-CB 3.16Å; A292-L296 WeakPolarHBondContact O-CG 3.25Å; A292-L296 PolarHBondContact O-N 3.37Å; I293-L296 PolarHBondContact O-N 3.44Å; E294-L296 VanDerWaalsContact C-N 3.33Å; E294-L296 PolarHBondContact O-N 3.44Å; L296-C299 PolarHBondContact O-N 3.48Å; L296-F300 VanDerWaalsContact O-CB 3.31Å; L296-F300 WeakPolarHBondContact O-CB 3.32Å; L296-F300 PolarHBondContact O-N 3.38Å
297G86Confident88.6Confident13 Ų1360.7 Ų60.713%0.13434%0.34CS..Hα-helixtrans-59.4-46.6174.400000112.5I293 E294 I295 F300 A301I293-G297 PolarHBondContact O-N 3.06Å; E294-G297 PolarHBondContact O-N 3.09Å; I295-G297 VanDerWaalsContact C-N 3.32Å; I295-G297 PolarHBondContact O-N 3.03Å; G297-F300 PolarHBondContact O-N 3.43Å; G297-A301 WeakPolarHBondContact O-CB 3.41Å; G297-A301 PolarHBondContact O-N 3.36Å
298I91.6Very high89Confident36 Ų3659.1 Ų59.119%0.18533%0.327CS..Hα-helixtrans-62.3-48.9176.6-65.9165.7000110.6V106 E294 I295 F300 A301 Q302V106-I298 HydrophobicContact CB-CD1 4.4Å; V106-I298 HydrophobicContact CB-CG1 4.06Å; V106-I298 HydrophobicContact CG1-CD1 3.95Å; V106-I298 HydrophobicContact CG1-CG1 3.8Å; E294-I298 WeakPolarHBondContact O-CG1 3.33Å; E294-I298 PolarHBondContact O-N 3.3Å; I295-I298 PolarHBondContact O-N 2.94Å; I298-F300 VanDerWaalsContact C-N 3.33Å; I298-F300 PolarHBondContact O-N 2.87Å; I298-A301 PolarHBondContact O-N 3.2Å; I298-Q302 HydrophobicContact CG2-CG 4.36Å; I298-Q302 WeakPolarHBondContact O-CG 3.35Å; I298-Q302 PolarHBondContact O-N 3.11Å
299C92.3Very high89.4Confident60 Ų6060 Ų6041%0.40532%0.32SS..Hα-helixtrans-59.3-44.7178.8-73.40000111.5I295 L296 A301 Q302 N303I295-C299 WeakPolarHBondContact O-CB 3.35Å; I295-C299 PolarHBondContact O-N 2.98Å; I295-C299 PolarHBondContact O-SG 3.32Å; L296-C299 PolarHBondContact O-N 3.48Å; C299-A301 VanDerWaalsContact C-N 3.34Å; C299-A301 PolarHBondContact O-N 2.71Å; C299-Q302 PolarHBondContact O-N 3.5Å; C299-N303 WeakPolarHBondContact O-CB 3.27Å; C299-N303 PolarHBondContact O-N 3.11Å; C299-N303 PolarHBondContact O-ND2 3.12Å
300F89Confident89.8Confident114 Ų11459.6 Ų59.650%0.532%0.322SS..Hα-helixtrans-60.1-45.1176.3-177-100.2000111.5L296 G297 I298 N303 L304L296-F300 VanDerWaalsContact O-CB 3.31Å; L296-F300 WeakPolarHBondContact O-CB 3.32Å; L296-F300 PolarHBondContact O-N 3.38Å; G297-F300 PolarHBondContact O-N 3.43Å; I298-F300 VanDerWaalsContact C-N 3.33Å; I298-F300 PolarHBondContact O-N 2.87Å; F300-N303 PolarHBondContact O-N 3.39Å; F300-L304 HydrophobicContact CE1-CD2 4.5Å; F300-L304 WeakPolarHBondContact O-CB 3.36Å; F300-L304 PolarHBondContact O-N 2.85Å
301A89.8Confident90.1Very high1 Ų159.5 Ų59.51%0.00832%0.32CS..Hα-helixtrans-62.6-42.7176.900000112.9L99 Y102 G297 I298 C299 R305L99-A301 HydrophobicContact CD1-CB 3.56Å; L99-A301 WeakPolarHBondContact CD2-O 3.37Å; L99-A301 HydrophobicContact CG-CB 3.85Å; L99-A301 WeakPolarHBondContact CG-O 3.06Å; Y102-A301 HydrophobicContact CD1-CB 3.6Å; Y102-A301 HydrophobicContact CE1-CB 3.85Å; G297-A301 WeakPolarHBondContact O-CB 3.41Å; G297-A301 PolarHBondContact O-N 3.36Å; I298-A301 PolarHBondContact O-N 3.2Å; C299-A301 VanDerWaalsContact C-N 3.34Å; C299-A301 PolarHBondContact O-N 2.71Å; A301-R305 VanDerWaalsContact O-CB 3.28Å; A301-R305 WeakPolarHBondContact O-CB 3.36Å; A301-R305 PolarHBondContact O-N 2.83Å
302Q92.5Very high90Very high68 Ų6863.9 Ų63.932%0.31833%0.334SS..Hα-helixtrans-69.8-36.7177.6-62.9-52.1-2400112.9S103 I298 C299 R305 S306S103-Q302 PolarHBondContact OG-NE2 2.71Å; I298-Q302 HydrophobicContact CG2-CG 4.36Å; I298-Q302 WeakPolarHBondContact O-CG 3.35Å; I298-Q302 PolarHBondContact O-N 3.11Å; C299-Q302 PolarHBondContact O-N 3.5Å; Q302-R305 PolarHBondContact O-N 3.33Å; Q302-S306 WeakPolarHBondContact O-CB 3.39Å; Q302-S306 PolarHBondContact O-N 2.88Å; Q302-S306 PolarHBondContact O-OG 3.22Å
303N91.7Very high90.1Very high99 Ų9963.7 Ų63.753%0.52933%0.332SS..Hα-helixtrans-62.9-52.4175.3-73.5-16.9000110.2C299 F300 R305 S306 D307C299-N303 WeakPolarHBondContact O-CB 3.27Å; C299-N303 PolarHBondContact O-N 3.11Å; C299-N303 PolarHBondContact O-ND2 3.12Å; F300-N303 PolarHBondContact O-N 3.39Å; N303-R305 VanDerWaalsContact C-N 3.26Å; N303-R305 PolarHBondContact O-N 3.11Å; N303-S306 WeakPolarHBondContact O-CB 3.4Å; N303-S306 PolarHBondContact O-N 2.54Å; N303-D307 PolarHBondContact O-N 2.98Å
304L89.9Confident90.2Very high27 Ų2765.4 Ų65.414%0.14133%0.331CS..Hα-helixtrans-60.4-37.4178.2178.970.4000111.6A91 L99 F300 D307 V308A91-L304 HydrophobicContact CB-CD2 3.93Å; L99-L304 HydrophobicContact CD1-CD2 4.39Å; L99-L304 HydrophobicContact CD2-CB 3.81Å; L99-L304 HydrophobicContact CD2-CD2 3.74Å; L99-L304 HydrophobicContact CD2-CG 3.77Å; F300-L304 HydrophobicContact CE1-CD2 4.5Å; F300-L304 WeakPolarHBondContact O-CB 3.36Å; F300-L304 PolarHBondContact O-N 2.85Å; L304-D307 PolarHBondContact O-N 2.71Å; L304-V308 VanDerWaalsContact O-CG2 3.29Å; L304-V308 WeakPolarHBondContact O-CG2 3.06Å; L304-V308 PolarHBondContact O-N 3.31Å
305R92.1Very high89.9Confident77 Ų7774.4 Ų74.429%0.29136%0.364SS..Hα-helixtrans-61.8-45.1173.2-175.2176.8-178.6-177.3-1.4112.1T96 L99 A301 Q302 N303 D307 V308 F309T96-R305 HydrophobicContact CG2-CG 4.13Å; L99-R305 HydrophobicContact CD2-CB 3.95Å; A301-R305 VanDerWaalsContact O-CB 3.28Å; A301-R305 WeakPolarHBondContact O-CB 3.36Å; A301-R305 PolarHBondContact O-N 2.83Å; Q302-R305 PolarHBondContact O-N 3.33Å; N303-R305 VanDerWaalsContact C-N 3.26Å; N303-R305 PolarHBondContact O-N 3.11Å; R305-D307 VanDerWaalsContact C-N 3.33Å; R305-V308 PolarHBondContact O-N 3.35Å; R305-F309 HydrophobicContact CG-CD2 3.92Å; R305-F309 HydrophobicContact CG-CE2 3.53Å; R305-F309 HydrophobicContact CG-CZ 4.41Å; R305-F309 VanDerWaalsContact NE-CE2 3.35Å; R305-F309 WeakPolarHBondContact O-CD2 3.35Å; R305-F309 PolarHBondContact O-N 3.46Å; R305-F309 VanDerWaalsContact O-N 3.09Å
306S92.5Very high89.4Confident69 Ų6978 Ų7848%0.48338%0.379SS..Hα-helixtrans-64.6-39.3179.3-58.60000111.4Q302 N303 F309 A310Q302-S306 WeakPolarHBondContact O-CB 3.39Å; Q302-S306 PolarHBondContact O-N 2.88Å; Q302-S306 PolarHBondContact O-OG 3.22Å; N303-S306 WeakPolarHBondContact O-CB 3.4Å; N303-S306 PolarHBondContact O-N 2.54Å; S306-F309 PolarHBondContact O-N 2.84Å; S306-A310 WeakPolarHBondContact O-CB 3.24Å; S306-A310 PolarHBondContact O-N 2.72Å
307D91.9Very high88.9Confident45 Ų4581 Ų8124%0.24139%0.387CS..Hα-helixtrans-64.6-43176-67.8-33.7000112.3M14 N303 L304 R305 F309 A310 Q311M14-D307 WeakPolarHBondContact CE-OD2 3.25Å; N303-D307 PolarHBondContact O-N 2.98Å; L304-D307 PolarHBondContact O-N 2.71Å; R305-D307 VanDerWaalsContact C-N 3.33Å; D307-F309 VanDerWaalsContact C-N 3.32Å; D307-F309 PolarHBondContact O-N 3.01Å; D307-A310 PolarHBondContact O-N 3.43Å; D307-Q311 WeakPolarHBondContact O-CB 3.38Å; D307-Q311 WeakPolarHBondContact O-CG 3.5Å; D307-Q311 PolarHBondContact O-N 3.04Å
308V89.9Confident87.6Confident6 Ų683.4 Ų83.44%0.03641%0.412CS..Hα-helixtrans-62.7-41176.5172.70000110.8E94 T96 L304 R305 Q311 R312E94-V308 HydrophobicContact CB-CG2 3.89Å; E94-V308 HydrophobicContact CG-CG2 4.31Å; T96-V308 HydrophobicContact CG2-CB 3.88Å; T96-V308 HydrophobicContact CG2-CG1 3.53Å; L304-V308 VanDerWaalsContact O-CG2 3.29Å; L304-V308 WeakPolarHBondContact O-CG2 3.06Å; L304-V308 PolarHBondContact O-N 3.31Å; R305-V308 PolarHBondContact O-N 3.35Å; V308-Q311 PolarHBondContact O-N 3.23Å; V308-R312 WeakPolarHBondContact O-CG 3.49Å; V308-R312 PolarHBondContact O-N 3.31Å
309F91.5Very high85.5Confident96 Ų9693.3 Ų93.342%0.42146%0.461SS..Hα-helixtrans-65.1-42.2174.4-74-52.8000112.5T96 R305 S306 D307 Q311 R312 A313T96-F309 HydrophobicContact CG2-CD1 4.49Å; T96-F309 HydrophobicContact CG2-CE1 4.15Å; T96-F309 HydrophobicContact CG2-CE2 4.35Å; T96-F309 HydrophobicContact CG2-CZ 4.08Å; R305-F309 HydrophobicContact CG-CD2 3.92Å; R305-F309 HydrophobicContact CG-CE2 3.53Å; R305-F309 HydrophobicContact CG-CZ 4.41Å; R305-F309 VanDerWaalsContact NE-CE2 3.35Å; R305-F309 WeakPolarHBondContact O-CD2 3.35Å; R305-F309 PolarHBondContact O-N 3.46Å; R305-F309 VanDerWaalsContact O-N 3.09Å; S306-F309 PolarHBondContact O-N 2.84Å; D307-F309 VanDerWaalsContact C-N 3.32Å; D307-F309 PolarHBondContact O-N 3.01Å; F309-Q311 VanDerWaalsContact C-N 3.32Å; F309-Q311 PolarHBondContact O-N 3.01Å; F309-R312 PolarHBondContact O-N 2.76Å; F309-A313 WeakPolarHBondContact O-CB 3.48Å; F309-A313 PolarHBondContact O-N 3.38Å
310A90.2Very high85.1Confident44 Ų4495 Ų9536%0.36446%0.464SS..Hα-helixtrans-62.6-39.8176.200000111.9S306 D307 R314S306-A310 WeakPolarHBondContact O-CB 3.24Å; S306-A310 PolarHBondContact O-N 2.72Å; D307-A310 PolarHBondContact O-N 3.43Å; A310-R314 WeakPolarHBondContact O-CG 3.28Å; A310-R314 PolarHBondContact O-N 3.21Å
311Q89.5Confident84.9Confident77 Ų7794 Ų9436%0.3646%0.462SS..Hα-helixtrans-62.8-51173.5-78.6-177.7-1.200111.5D307 V308 F309 A313 R314 W315D307-Q311 WeakPolarHBondContact O-CB 3.38Å; D307-Q311 WeakPolarHBondContact O-CG 3.5Å; D307-Q311 PolarHBondContact O-N 3.04Å; V308-Q311 PolarHBondContact O-N 3.23Å; F309-Q311 VanDerWaalsContact C-N 3.32Å; F309-Q311 PolarHBondContact O-N 3.01Å; Q311-A313 VanDerWaalsContact C-N 3.29Å; Q311-A313 PolarHBondContact O-N 2.99Å; Q311-R314 WeakPolarHBondContact O-CB 3.22Å; Q311-R314 PolarHBondContact O-N 3.44Å; Q311-R314 VanDerWaalsContact O-N 3.13Å; Q311-W315 PolarHBondContact O-N 2.94Å
312R88.3Confident84.7Confident124 Ų12499.2 Ų99.247%0.46849%0.487SS..Hα-helixtrans-58.6-39.1177.5-72.6-177.3-169.9-163.94.1112.5V308 F309 R314 W315 H316V308-R312 WeakPolarHBondContact O-CG 3.49Å; V308-R312 PolarHBondContact O-N 3.31Å; F309-R312 PolarHBondContact O-N 2.76Å; R312-R314 VanDerWaalsContact C-N 3.35Å; R312-R314 PolarHBondContact O-N 3.3Å; R312-W315 PolarHBondContact O-N 3.28Å; R312-H316 PolarHBondContact O-CD2 3.15Å; R312-H316 PolarHBondContact O-N 3.47Å
313A88.3Confident84.2Confident42 Ų42101 Ų10135%0.34750%0.497SS..Hα-helixtrans-62.5-39.4176.500000112.4F309 Q311 W315 H316 F317F309-A313 WeakPolarHBondContact O-CB 3.48Å; F309-A313 PolarHBondContact O-N 3.38Å; Q311-A313 VanDerWaalsContact C-N 3.29Å; Q311-A313 PolarHBondContact O-N 2.99Å; A313-W315 VanDerWaalsContact C-N 3.32Å; A313-W315 PolarHBondContact O-N 2.78Å; A313-H316 PolarHBondContact O-N 3.38Å; A313-F317 VanDerWaalsContact O-CD2 3.31Å; A313-F317 WeakPolarHBondContact O-CD2 3.44Å; A313-F317 PolarHBondContact O-N 2.98Å; A313-F317 VanDerWaalsContact O-N 3.1Å
314R88.1Confident83.7Confident146 Ų146101.1 Ų101.155%0.55150%0.495SS*.Hα-helixtrans-58.7-43.2174.9-72.5-169.3-70.5-95.812.5112.1A310 Q311 R312 H316 F317 G318A310-R314 WeakPolarHBondContact O-CG 3.28Å; A310-R314 PolarHBondContact O-N 3.21Å; Q311-R314 WeakPolarHBondContact O-CB 3.22Å; Q311-R314 PolarHBondContact O-N 3.44Å; Q311-R314 VanDerWaalsContact O-N 3.13Å; R312-R314 VanDerWaalsContact C-N 3.35Å; R312-R314 PolarHBondContact O-N 3.3Å; R314-H316 VanDerWaalsContact C-N 3.33Å; R314-H316 PolarHBondContact O-N 2.85Å; R314-F317 PolarHBondContact O-N 3.24Å; R314-G318 PolarHBondContact O-N 3.07Å
315W82.8Confident83.3Confident221 Ų221106.1 Ų106.184%0.83752%0.518SS*.Hα-helixtrans-66.5-30.8177.8-62.3105.7000113.8Q311 R312 A313Q311-W315 PolarHBondContact O-N 2.94Å; R312-W315 PolarHBondContact O-N 3.28Å; A313-W315 VanDerWaalsContact C-N 3.32Å; A313-W315 PolarHBondContact O-N 2.78Å
316H81.7Confident82.7Confident155 Ų155108.1 Ų108.172%0.71854%0.535SS*.Hα-helixtrans-80.3-29.8178.9-77.9-65.1000114R312 A313 R314R312-H316 PolarHBondContact O-CD2 3.15Å; R312-H316 PolarHBondContact O-N 3.47Å; A313-H316 PolarHBondContact O-N 3.38Å; R314-H316 VanDerWaalsContact C-N 3.33Å; R314-H316 PolarHBondContact O-N 2.85Å
317F77.1Confident81.9Confident180 Ų180111.2 Ų111.279%0.78954%0.539SS*.Hα-helixtrans-107.6-1-175.3-64.4-68.7000114.9A313 R314 M319A313-F317 VanDerWaalsContact O-CD2 3.31Å; A313-F317 WeakPolarHBondContact O-CD2 3.44Å; A313-F317 PolarHBondContact O-N 2.98Å; A313-F317 VanDerWaalsContact O-N 3.1Å; R314-F317 PolarHBondContact O-N 3.24Å; F317-M319 PolarHBondContact O-N 3.16Å; F317-M319 VanDerWaalsContact O-N 3.15Å
318G59.7Low81.1Confident65 Ų65116.7 Ų116.767%0.6756%0.564SS**  trans54.941.2150.700000117.9R314R314-G318 PolarHBondContact O-N 3.07Å
319M46Very low80.3Confident244 Ų244126.7 Ų126.7100%1.20261%0.612SS**  trans-84.60141.1-70.5-170.5-67.900108.6F317F317-M319 PolarHBondContact O-N 3.16Å; F317-M319 VanDerWaalsContact O-N 3.15Å

Retrieved 319 of 319 residues in 90.3 ms (Link to these results)