A0A077Z7B5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7B5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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
1M56.8Low69.4Low208 Ų208121.9 Ų121.9100%1.02560%0.595SS**  0-21.80-112.7-178168.300112W3 F4M1-W3 PolarHBondContact O-N 3.28Å; M1-F4 PolarHBondContact O-N 2.83Å
2D65.1Low69.3Low128 Ų128120.1 Ų120.168%0.68459%0.588SS**Hα-helixtrans-68.4-29.2-170.7-51.5-29.1000115.7F4 M6D2-F4 PolarHBondContact O-N 2.97Å; D2-M6 PolarHBondContact O-N 3.44Å; D2-M6 VanDerWaalsContact O-N 3.16Å
3W72.6Confident69.1Low184 Ų184119.3 Ų119.370%0.69759%0.588SS**Hα-helixtrans-67.1-36.7179.3-174.577.2000113.1M1 H7M1-W3 PolarHBondContact O-N 3.28Å; W3-H7 AromaticContact CE2-CD2 3.82Å; W3-H7 AromaticContact CE2-NE2 3.58Å; W3-H7 AromaticContact CH2-CD2 3.6Å; W3-H7 AromaticContact CH2-NE2 3.76Å; W3-H7 AromaticContact CZ2-CD2 3.44Å; W3-H7 VanDerWaalsContact CZ2-CD2 3.44Å; W3-H7 WeakPolarHBondContact CZ2-CD2 3.18Å; W3-H7 AromaticContact CZ2-NE2 3.14Å; W3-H7 WeakPolarHBondContact CZ2-NE2 3.39Å; W3-H7 AromaticContact NE1-NE2 3.94Å; W3-H7 PolarHBondContact O-N 2.84Å
4F70.2Confident68.7Low145 Ų145123.6 Ų123.664%0.63660%0.596SS**Hα-helixtrans-72.3-39179.7-174.1-101000111.7M1 D2 M6 H7 C8M1-F4 PolarHBondContact O-N 2.83Å; D2-F4 PolarHBondContact O-N 2.97Å; F4-M6 VanDerWaalsContact C-N 3.34Å; F4-M6 PolarHBondContact O-N 2.84Å; F4-H7 PolarHBondContact O-N 3.04Å; F4-C8 VanDerWaalsContact CE1-SG 3.6Å; F4-C8 PolarHBondContact O-N 3.29Å; F4-C8 PolarHBondContact O-SG 3.41Å; F4-C8 VanDerWaalsContact O-SG 3.42Å
5L72.1Confident68.2Low105 Ų105123.3 Ų123.355%0.5560%0.598SS.*Hα-helixtrans-63.7-39.9175.8-78.7162.4000111.7H7 C8 E9L5-H7 VanDerWaalsContact C-N 3.34Å; L5-H7 PolarHBondContact O-N 3.23Å; L5-C8 PolarHBondContact O-N 2.79Å; L5-E9 PolarHBondContact O-N 3.41Å
6M72.1Confident67.8Low119 Ų119121.7 Ų121.759%0.58660%0.598SS**Hα-helixtrans-65.1-36.9176.8-155.9-168.1-70.700112.2D2 F4 V10D2-M6 PolarHBondContact O-N 3.44Å; D2-M6 VanDerWaalsContact O-N 3.16Å; F4-M6 VanDerWaalsContact C-N 3.34Å; F4-M6 PolarHBondContact O-N 2.84Å; M6-V10 WeakPolarHBondContact O-CG2 3.35Å; M6-V10 PolarHBondContact O-N 3.42Å; M6-V10 VanDerWaalsContact O-N 3.14Å
7H69.3Low67.5Low88 Ų88118.3 Ų118.341%0.40759%0.594SS.*Hα-helixtrans-71.9-35.2174-84.2-0.1000113.3W3 F4 L5 I11W3-H7 AromaticContact CE2-CD2 3.82Å; W3-H7 AromaticContact CE2-NE2 3.58Å; W3-H7 AromaticContact CH2-CD2 3.6Å; W3-H7 AromaticContact CH2-NE2 3.76Å; W3-H7 AromaticContact CZ2-CD2 3.44Å; W3-H7 VanDerWaalsContact CZ2-CD2 3.44Å; W3-H7 WeakPolarHBondContact CZ2-CD2 3.18Å; W3-H7 AromaticContact CZ2-NE2 3.14Å; W3-H7 WeakPolarHBondContact CZ2-NE2 3.39Å; W3-H7 AromaticContact NE1-NE2 3.94Å; W3-H7 PolarHBondContact O-N 2.84Å; F4-H7 PolarHBondContact O-N 3.04Å; L5-H7 VanDerWaalsContact C-N 3.34Å; L5-H7 PolarHBondContact O-N 3.23Å; H7-I11 VanDerWaalsContact O-CG1 3.28Å; H7-I11 WeakPolarHBondContact O-CG1 3.37Å; H7-I11 PolarHBondContact O-N 3.32Å; H7-I11 VanDerWaalsContact O-N 3.08Å
8C71.7Confident67Low44 Ų44119.1 Ų119.130%0.29759%0.594SS.*Hα-helixtrans-65.7-40.9172.8-72.60000112F4 L5 I11 I12F4-C8 VanDerWaalsContact CE1-SG 3.6Å; F4-C8 PolarHBondContact O-N 3.29Å; F4-C8 PolarHBondContact O-SG 3.41Å; F4-C8 VanDerWaalsContact O-SG 3.42Å; L5-C8 PolarHBondContact O-N 2.79Å; C8-I11 PolarHBondContact O-N 3.4Å; C8-I12 WeakPolarHBondContact O-CB 3.37Å; C8-I12 VanDerWaalsContact O-CG1 3.22Å; C8-I12 WeakPolarHBondContact O-CG1 3.46Å; C8-I12 PolarHBondContact O-N 3.29Å
9E73.8Confident66.9Low131 Ų131120.3 Ų120.361%0.61260%0.595SS**Hα-helixtrans-62.7-44.2175.1-81.6-175.1161.100112L5 I11 I12 D13L5-E9 PolarHBondContact O-N 3.41Å; E9-I11 VanDerWaalsContact C-N 3.32Å; E9-I11 PolarHBondContact O-N 2.82Å; E9-I12 PolarHBondContact O-N 2.97Å; E9-D13 WeakPolarHBondContact O-CB 3.24Å; E9-D13 PolarHBondContact O-N 3.47Å
10V72.1Confident66.7Low88 Ų88118.4 Ų118.453%0.53360%0.599SS.*Hα-helixtrans-62.5-38.7176.9172.70000111.8M6 Y14M6-V10 WeakPolarHBondContact O-CG2 3.35Å; M6-V10 PolarHBondContact O-N 3.42Å; M6-V10 VanDerWaalsContact O-N 3.14Å; V10-Y14 VanDerWaalsContact O-CB 3.3Å; V10-Y14 WeakPolarHBondContact O-CB 3.5Å; V10-Y14 PolarHBondContact O-N 3.48Å
11I67.7Low66.8Low101 Ų101120.3 Ų120.352%0.51860%0.603SS.*Hα-helixtrans-70.7-40177.3-68.1169000110.8H7 C8 E9 Y14 L15H7-I11 VanDerWaalsContact O-CG1 3.28Å; H7-I11 WeakPolarHBondContact O-CG1 3.37Å; H7-I11 PolarHBondContact O-N 3.32Å; H7-I11 VanDerWaalsContact O-N 3.08Å; C8-I11 PolarHBondContact O-N 3.4Å; E9-I11 VanDerWaalsContact C-N 3.32Å; E9-I11 PolarHBondContact O-N 2.82Å; I11-Y14 PolarHBondContact O-N 3.32Å; I11-L15 HydrophobicContact CG2-CD1 3.77Å; I11-L15 HydrophobicContact CG2-CG 4.32Å; I11-L15 WeakPolarHBondContact O-CB 3.29Å; I11-L15 VanDerWaalsContact O-CG 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.78Å
12I68.8Low67.5Low100 Ų100114.6 Ų114.651%0.51358%0.577SS.*Hα-helixtrans-66-42.1175.9-69.4168.5000110.3C8 E9 L15 T16C8-I12 WeakPolarHBondContact O-CB 3.37Å; C8-I12 VanDerWaalsContact O-CG1 3.22Å; C8-I12 WeakPolarHBondContact O-CG1 3.46Å; C8-I12 PolarHBondContact O-N 3.29Å; E9-I12 PolarHBondContact O-N 2.97Å; I12-L15 PolarHBondContact O-N 3.09Å; I12-T16 HydrophobicContact CG2-CG2 4.22Å; I12-T16 VanDerWaalsContact O-CB 3.31Å; I12-T16 WeakPolarHBondContact O-CB 3.38Å; I12-T16 WeakPolarHBondContact O-CG2 3.25Å; I12-T16 PolarHBondContact O-N 2.88Å; I12-T16 PolarHBondContact O-OG1 3.34Å
13D65.8Low67.7Low110 Ų110110.2 Ų110.259%0.58856%0.558SS**Hα-helixtrans-63.7-39.4174.6-83.8-7.5000111.6E9 T16 A17E9-D13 WeakPolarHBondContact O-CB 3.24Å; E9-D13 PolarHBondContact O-N 3.47Å; D13-T16 WeakPolarHBondContact CA-OG1 3.35Å; D13-T16 PolarHBondContact O-OG1 3.09Å; D13-A17 WeakPolarHBondContact O-CB 3.39Å; D13-A17 PolarHBondContact O-N 3.35Å
14Y63.7Low67.8Low179 Ų179106 Ų10670%0.70255%0.549SS*.Hα-helixtrans-67.8-40.5175.9-161.2-93.4000112.2V10 I11 F18V10-Y14 VanDerWaalsContact O-CB 3.3Å; V10-Y14 WeakPolarHBondContact O-CB 3.5Å; V10-Y14 PolarHBondContact O-N 3.48Å; I11-Y14 PolarHBondContact O-N 3.32Å; Y14-F18 PolarHBondContact O-N 3.42Å
15L61.1Low68.2Low120 Ų120103.8 Ų103.863%0.62854%0.542SS*.Hα-helixtrans-74.9-30.9178.1-70.4172.4000112.8I11 I12I11-L15 HydrophobicContact CG2-CD1 3.77Å; I11-L15 HydrophobicContact CG2-CG 4.32Å; I11-L15 WeakPolarHBondContact O-CB 3.29Å; I11-L15 VanDerWaalsContact O-CG 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.78Å; I12-L15 PolarHBondContact O-N 3.09Å
16T62.5Low68.5Low97 Ų97104.1 Ų104.160%0.59554%0.544SS*.Hα-helixtrans-81.5-26.6175.149.40000112.7I12 D13 F18I12-T16 HydrophobicContact CG2-CG2 4.22Å; I12-T16 VanDerWaalsContact O-CB 3.31Å; I12-T16 WeakPolarHBondContact O-CB 3.38Å; I12-T16 WeakPolarHBondContact O-CG2 3.25Å; I12-T16 PolarHBondContact O-N 2.88Å; I12-T16 PolarHBondContact O-OG1 3.34Å; D13-T16 WeakPolarHBondContact CA-OG1 3.35Å; D13-T16 PolarHBondContact O-OG1 3.09Å; T16-F18 VanDerWaalsContact C-N 3.3Å
17A61.7Low68.7Low64 Ų64104.8 Ų104.853%0.52955%0.547SS..Hα-helixtrans-73.7-20.3170.300000113D13 K19D13-A17 WeakPolarHBondContact O-CB 3.39Å; D13-A17 PolarHBondContact O-N 3.35Å; A17-K19 PolarHBondContact O-N 2.9Å
18F59.8Low69.2Low133 Ų133106.1 Ų106.158%0.58355%0.552SS**  trans-71.775.9174.4-156.5-97000110.7Y14 T16 A20 A23Y14-F18 PolarHBondContact O-N 3.42Å; T16-F18 VanDerWaalsContact C-N 3.3Å; F18-A20 PolarHBondContact O-N 3.09Å; F18-A23 HydrophobicContact CE1-CB 3.89Å; F18-A23 HydrophobicContact CZ-CB 4.16Å
19K63.9Low69.7Low141 Ų141108.7 Ų108.761%0.61356%0.562SS**  trans-65.5126.4177.1-76.3174.6178.8169.40108.5A17 K21 D22A17-K19 PolarHBondContact O-N 2.9Å; K19-K21 HydrophobicContact CB-CB 4.42Å; K19-K21 PolarHBondContact O-N 3.14Å; K19-D22 PolarHBondContact O-N 3.17Å
20A63.9Low70Confident82 Ų82108 Ų10868%0.67856%0.562SS**Hα-helixtrans-49.4-21.9171.800000113.8F18 L24F18-A20 PolarHBondContact O-N 3.09Å; A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 PolarHBondContact O-N 3.37Å; A20-L24 VanDerWaalsContact O-N 3.07Å
21K68.5Low70.4Confident159 Ų159109.5 Ų109.569%0.69157%0.567SS**Hα-helixtrans-64.5-35.9173.7-164.2177.1179.7-1770113.4K19 M25K19-K21 HydrophobicContact CB-CB 4.42Å; K19-K21 PolarHBondContact O-N 3.14Å; K21-M25 WeakPolarHBondContact O-CB 3.43Å; K21-M25 PolarHBondContact O-N 3.45Å; K21-M25 VanDerWaalsContact O-N 3.13Å
22D72Confident71.2Confident89 Ų89111.6 Ų111.648%0.47657%0.569SS.*Hα-helixtrans-76.5-44.7-178.3-61-24.9000110.2K19 L24 M25 D26K19-D22 PolarHBondContact O-N 3.17Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 3.39Å; D22-M25 PolarHBondContact O-N 2.89Å; D22-D26 PolarHBondContact O-N 3.46Å
23A68.7Low71.9Confident35 Ų35110.4 Ų110.429%0.28956%0.564SS.*Hα-helixtrans-60.4-38.9172.800000113.1F18 M25 D26 M27F18-A23 HydrophobicContact CE1-CB 3.89Å; F18-A23 HydrophobicContact CZ-CB 4.16Å; A23-M25 VanDerWaalsContact C-N 3.29Å; A23-M25 PolarHBondContact O-N 3.43Å; A23-D26 PolarHBondContact O-N 3.15Å; A23-M27 PolarHBondContact O-N 3.35Å
24L73.8Confident72.6Confident95 Ų95108.7 Ų108.750%0.49756%0.56SS.*Hα-helixtrans-65-34.9174.1-177.166.8000111.7A20 D22 K28A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 PolarHBondContact O-N 3.37Å; A20-L24 VanDerWaalsContact O-N 3.07Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 3.39Å; L24-K28 WeakPolarHBondContact O-CG 3.23Å; L24-K28 PolarHBondContact O-N 2.89Å
25M78.9Confident73.4Confident99 Ų99102.6 Ų102.649%0.48854%0.543SS..Hα-helixtrans-73-38.8179.6-162.147.466.500111.5K21 D22 A23 K28 L29K21-M25 WeakPolarHBondContact O-CB 3.43Å; K21-M25 PolarHBondContact O-N 3.45Å; K21-M25 VanDerWaalsContact O-N 3.13Å; D22-M25 PolarHBondContact O-N 2.89Å; A23-M25 VanDerWaalsContact C-N 3.29Å; A23-M25 PolarHBondContact O-N 3.43Å; M25-K28 HydrophobicContact CE-CD 4.38Å; M25-K28 PolarHBondContact O-N 2.9Å; M25-K28 HydrophobicContact SD-CB 4.44Å; M25-K28 HydrophobicContact SD-CD 4.43Å; M25-L29 PolarHBondContact O-N 3.36Å
26D78.3Confident74.4Confident113 Ų113100.7 Ų100.760%0.60453%0.533SS*.Hα-helixtrans-63.1-42.5172.6-74.4-18.8000112.3D22 A23 K28 L29 L30D22-D26 PolarHBondContact O-N 3.46Å; A23-D26 PolarHBondContact O-N 3.15Å; D26-K28 PolarHBondContact O-N 2.92Å; D26-L29 PolarHBondContact O-N 3.33Å; D26-L30 PolarHBondContact O-N 3.32Å
27M76.9Confident75.2Confident132 Ų132105.9 Ų105.965%0.6554%0.542SS*.Hα-helixtrans-61-43.1173.8-94.8-160.4-179.300112.4A23 L29 L30 L31A23-M27 PolarHBondContact O-N 3.35Å; M27-L29 VanDerWaalsContact C-N 3.31Å; M27-L29 PolarHBondContact O-N 2.83Å; M27-L30 PolarHBondContact O-N 3.38Å; M27-L31 WeakPolarHBondContact O-CG 3.42Å; M27-L31 PolarHBondContact O-N 3.49Å
28K80.5Confident76.1Confident116 Ų116105.9 Ų105.950%0.50454%0.538SS..Hα-helixtrans-62.3-40175.9-77.2179.8177.4-174.40111.4L24 M25 D26 L31 Y32L24-K28 WeakPolarHBondContact O-CG 3.23Å; L24-K28 PolarHBondContact O-N 2.89Å; M25-K28 HydrophobicContact CE-CD 4.38Å; M25-K28 PolarHBondContact O-N 2.9Å; M25-K28 HydrophobicContact SD-CB 4.44Å; M25-K28 HydrophobicContact SD-CD 4.43Å; D26-K28 PolarHBondContact O-N 2.92Å; K28-L31 PolarHBondContact O-N 2.98Å; K28-Y32 VanDerWaalsContact O-CB 3.29Å; K28-Y32 WeakPolarHBondContact O-CB 3.48Å; K28-Y32 PolarHBondContact O-N 3.05Å
29L81.8Confident77.3Confident99 Ų99105 Ų10552%0.51854%0.538SS..Hα-helixtrans-65.2-41.2177.4-144.3101.5000111.6M25 D26 M27 Y32 N33M25-L29 PolarHBondContact O-N 3.36Å; D26-L29 PolarHBondContact O-N 3.33Å; M27-L29 VanDerWaalsContact C-N 3.31Å; M27-L29 PolarHBondContact O-N 2.83Å; L29-Y32 PolarHBondContact O-N 3.39Å; L29-N33 WeakPolarHBondContact O-CB 3.44Å; L29-N33 VanDerWaalsContact O-CG 3.26Å; L29-N33 PolarHBondContact O-N 2.95Å; L29-N33 PolarHBondContact O-ND2 2.88Å; L29-N33 VanDerWaalsContact O-ND2 3.14Å
30L79.6Confident78.2Confident115 Ų115100.2 Ų100.260%0.60253%0.53SS*.Hα-helixtrans-62.9-48.4175.7-17181000111.4D26 M27 Y32 N33 C34D26-L30 PolarHBondContact O-N 3.32Å; M27-L30 PolarHBondContact O-N 3.38Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 3.41Å; L30-N33 PolarHBondContact O-N 3.44Å; L30-C34 WeakPolarHBondContact O-CB 3.43Å; L30-C34 PolarHBondContact O-N 3.5Å; L30-C34 PolarHBondContact O-SG 2.92Å
31L80.2Confident79.2Confident121 Ų121102.4 Ų102.463%0.63452%0.524SS*.Hα-helixtrans-60.8-41.6177.5-76169.7000111.8M27 K28 C34 S35M27-L31 WeakPolarHBondContact O-CG 3.42Å; M27-L31 PolarHBondContact O-N 3.49Å; K28-L31 PolarHBondContact O-N 2.98Å; L31-C34 PolarHBondContact O-N 2.86Å; L31-S35 WeakPolarHBondContact O-CB 3.27Å; L31-S35 PolarHBondContact O-N 3.39Å; L31-S35 PolarHBondContact O-OG 3.49Å
32Y85.2Confident79.9Confident144 Ų14499.2 Ų99.257%0.56552%0.518SS*.Hα-helixtrans-63.9-40.3175.5-178.5-106000112.4K28 L29 L30 S35 L36K28-Y32 VanDerWaalsContact O-CB 3.29Å; K28-Y32 WeakPolarHBondContact O-CB 3.48Å; K28-Y32 PolarHBondContact O-N 3.05Å; L29-Y32 PolarHBondContact O-N 3.39Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 3.41Å; Y32-S35 WeakPolarHBondContact CA-OG 3.43Å; Y32-S35 PolarHBondContact O-N 2.93Å; Y32-S35 PolarHBondContact O-OG 3.05Å; Y32-L36 HydrophobicContact CD1-CD1 3.62Å; Y32-L36 HydrophobicContact CE1-CD1 3.17Å; Y32-L36 HydrophobicContact CE1-CG 4.3Å; Y32-L36 HydrophobicContact CE2-CD1 4.2Å; Y32-L36 HydrophobicContact CG-CD1 4.3Å; Y32-L36 VanDerWaalsContact CZ-CD1 3.49Å; Y32-L36 WeakPolarHBondContact O-CB 3.27Å; Y32-L36 PolarHBondContact O-N 3.14Å
33N83Confident80.5Confident76 Ų7698.4 Ų98.441%0.40651%0.513SS..Hα-helixtrans-69.5-37.1175.7-74.2-32.7000112.3L29 L30 R37L29-N33 WeakPolarHBondContact O-CB 3.44Å; L29-N33 VanDerWaalsContact O-CG 3.26Å; L29-N33 PolarHBondContact O-N 2.95Å; L29-N33 PolarHBondContact O-ND2 2.88Å; L29-N33 VanDerWaalsContact O-ND2 3.14Å; L30-N33 PolarHBondContact O-N 3.44Å; N33-R37 WeakPolarHBondContact O-CB 3.4Å; N33-R37 WeakPolarHBondContact O-CG 3.45Å; N33-R37 PolarHBondContact O-N 2.65Å
34C80.1Confident81.3Confident74 Ų74104.1 Ų104.150%0.553%0.528SS..Hα-helixtrans-65.7-41.8173.8-75.50000111.8L30 L31 R37 S38L30-C34 WeakPolarHBondContact O-CB 3.43Å; L30-C34 PolarHBondContact O-N 3.5Å; L30-C34 PolarHBondContact O-SG 2.92Å; L31-C34 PolarHBondContact O-N 2.86Å; C34-R37 PolarHBondContact O-N 3.39Å; C34-S38 PolarHBondContact O-N 3.41Å; C34-S38 PolarHBondContact O-OG 2.97Å
35S81.8Confident81.8Confident51 Ų51103 Ų10336%0.35752%0.521SS..Hα-helixtrans-69.2-37.5176.4650000112.3L31 Y32 R37 S38 L39L31-S35 WeakPolarHBondContact O-CB 3.27Å; L31-S35 PolarHBondContact O-N 3.39Å; L31-S35 PolarHBondContact O-OG 3.49Å; Y32-S35 WeakPolarHBondContact CA-OG 3.43Å; Y32-S35 PolarHBondContact O-N 2.93Å; Y32-S35 PolarHBondContact O-OG 3.05Å; S35-R37 VanDerWaalsContact C-N 3.35Å; S35-S38 WeakPolarHBondContact CA-OG 3.3Å; S35-S38 PolarHBondContact O-N 3.45Å; S35-S38 PolarHBondContact O-OG 3.48Å; S35-L39 WeakPolarHBondContact O-CB 3.22Å; S35-L39 VanDerWaalsContact O-CG 3.26Å; S35-L39 WeakPolarHBondContact O-CG 3.28Å; S35-L39 PolarHBondContact O-N 3.24Å
36L81.9Confident82Confident79 Ų79104.7 Ų104.741%0.41452%0.522SS..Hα-helixtrans-62.4-40.9170.8-88.6161.8000112.2Y32 L39 G40Y32-L36 HydrophobicContact CD1-CD1 3.62Å; Y32-L36 HydrophobicContact CE1-CD1 3.17Å; Y32-L36 HydrophobicContact CE1-CG 4.3Å; Y32-L36 HydrophobicContact CE2-CD1 4.2Å; Y32-L36 HydrophobicContact CG-CD1 4.3Å; Y32-L36 VanDerWaalsContact CZ-CD1 3.49Å; Y32-L36 WeakPolarHBondContact O-CB 3.27Å; Y32-L36 PolarHBondContact O-N 3.14Å; L36-L39 PolarHBondContact O-N 3.02Å; L36-G40 PolarHBondContact O-N 3.41Å
37R79.2Confident82.3Confident206 Ų206102.2 Ų102.278%0.77751%0.513SS*.Hα-helixtrans-66.7-40175.8-80.8-174.3177.3-172.10.7112.4N33 C34 S35 G40 F41N33-R37 WeakPolarHBondContact O-CB 3.4Å; N33-R37 WeakPolarHBondContact O-CG 3.45Å; N33-R37 PolarHBondContact O-N 2.65Å; C34-R37 PolarHBondContact O-N 3.39Å; S35-R37 VanDerWaalsContact C-N 3.35Å; R37-G40 PolarHBondContact O-N 3.09Å; R37-F41 WeakPolarHBondContact O-CB 3.37Å; R37-F41 PolarHBondContact O-N 3.24Å
38S81Confident82.7Confident64 Ų64102 Ų10245%0.44851%0.509SS..Hα-helixtrans-66.6-42.4175.9660000111.2C34 S35 G40 F41 V42C34-S38 PolarHBondContact O-N 3.41Å; C34-S38 PolarHBondContact O-OG 2.97Å; S35-S38 WeakPolarHBondContact CA-OG 3.3Å; S35-S38 PolarHBondContact O-N 3.45Å; S35-S38 PolarHBondContact O-OG 3.48Å; S38-G40 VanDerWaalsContact C-N 3.34Å; S38-G40 PolarHBondContact O-N 3.09Å; S38-F41 WeakPolarHBondContact O-CB 3.48Å; S38-F41 PolarHBondContact O-N 3.12Å; S38-V42 WeakPolarHBondContact O-CG2 3.49Å; S38-V42 PolarHBondContact O-N 3.47Å
39L84.8Confident82.8Confident114 Ų11499.3 Ų99.360%0.59750%0.504SS*.Hα-helixtrans-60.3-43172.8-72.6170.4000111.9S35 L36 F41 V42 D43S35-L39 WeakPolarHBondContact O-CB 3.22Å; S35-L39 VanDerWaalsContact O-CG 3.26Å; S35-L39 WeakPolarHBondContact O-CG 3.28Å; S35-L39 PolarHBondContact O-N 3.24Å; L36-L39 PolarHBondContact O-N 3.02Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.47Å; L39-V42 PolarHBondContact O-N 3.28Å; L39-D43 WeakPolarHBondContact O-CB 3.27Å; L39-D43 PolarHBondContact O-N 3.38Å
40G82.7Confident82.8Confident42 Ų4299.1 Ų99.143%0.43350%0.504SS..Hα-helixtrans-62.9-36.4174.800000113L36 R37 S38 D43 W44L36-G40 PolarHBondContact O-N 3.41Å; R37-G40 PolarHBondContact O-N 3.09Å; S38-G40 VanDerWaalsContact C-N 3.34Å; S38-G40 PolarHBondContact O-N 3.09Å; G40-D43 PolarHBondContact O-N 2.89Å; G40-W44 VanDerWaalsContact O-CB 3.29Å; G40-W44 WeakPolarHBondContact O-CB 3.33Å; G40-W44 PolarHBondContact O-N 3.49Å
41F83.7Confident83.1Confident127 Ų12796.9 Ų96.956%0.55750%0.501SS*.Hα-helixtrans-68.8-42.4174.5-178.1-107.4000112.2R37 S38 L39 D43 W44 I45R37-F41 WeakPolarHBondContact O-CB 3.37Å; R37-F41 PolarHBondContact O-N 3.24Å; S38-F41 WeakPolarHBondContact O-CB 3.48Å; S38-F41 PolarHBondContact O-N 3.12Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.47Å; F41-D43 VanDerWaalsContact C-N 3.33Å; F41-D43 PolarHBondContact O-N 3.44Å; F41-W44 HydrophobicContact CE2-CE3 4.31Å; F41-W44 WeakPolarHBondContact O-CB 3.43Å; F41-W44 PolarHBondContact O-N 3.06Å; F41-I45 HydrophobicContact CD1-CD1 3.91Å; F41-I45 HydrophobicContact CE1-CD1 3.43Å; F41-I45 VanDerWaalsContact CE1-CD1 3.43Å; F41-I45 HydrophobicContact CE1-CG1 4.33Å; F41-I45 HydrophobicContact CZ-CD1 3.79Å; F41-I45 HydrophobicContact CZ-CG1 4.33Å; F41-I45 WeakPolarHBondContact O-CG1 3.34Å; F41-I45 PolarHBondContact O-N 3.33Å
42V84.5Confident83.2Confident92 Ų9294.3 Ų94.356%0.55850%0.498SS*.Hα-helixtrans-62.2-42.9173.7175.70000110.8S38 L39 W44 I45 R46S38-V42 WeakPolarHBondContact O-CG2 3.49Å; S38-V42 PolarHBondContact O-N 3.47Å; L39-V42 PolarHBondContact O-N 3.28Å; V42-W44 VanDerWaalsContact C-N 3.32Å; V42-W44 PolarHBondContact O-N 3.01Å; V42-I45 PolarHBondContact O-N 3.5Å; V42-R46 WeakPolarHBondContact O-CB 3.37Å; V42-R46 PolarHBondContact O-N 2.86Å
43D83.1Confident83.1Confident72 Ų7289.6 Ų89.639%0.38549%0.485SS..Hα-helixtrans-67.4-34.7178-161.450.2000112.2L39 G40 F41 R46 C47L39-D43 WeakPolarHBondContact O-CB 3.27Å; L39-D43 PolarHBondContact O-N 3.38Å; G40-D43 PolarHBondContact O-N 2.89Å; F41-D43 VanDerWaalsContact C-N 3.33Å; F41-D43 PolarHBondContact O-N 3.44Å; D43-R46 PolarHBondContact O-N 3.48Å; D43-R46 IonicContact OD1-CZ 3.16Å; D43-R46 IonicContact OD1-NE 2.81Å; D43-R46 PolarHBondContact OD1-NE 2.88Å; D43-R46 IonicContact OD1-NH2 2.68Å; D43-R46 PolarHBondContact OD1-NH2 2.92Å; D43-R46 IonicContact OD2-NH2 3.83Å; D43-C47 WeakPolarHBondContact O-CB 3.49Å; D43-C47 PolarHBondContact O-N 2.87Å; D43-C47 PolarHBondContact O-SG 3.49Å
44W86.9Confident82.9Confident156 Ų15695.6 Ų95.659%0.59150%0.502SS*.Hα-helixtrans-62.6-45.8171.5-178.485.5000111.9G40 F41 V42 R46 C47 F48G40-W44 VanDerWaalsContact O-CB 3.29Å; G40-W44 WeakPolarHBondContact O-CB 3.33Å; G40-W44 PolarHBondContact O-N 3.49Å; F41-W44 HydrophobicContact CE2-CE3 4.31Å; F41-W44 WeakPolarHBondContact O-CB 3.43Å; F41-W44 PolarHBondContact O-N 3.06Å; V42-W44 VanDerWaalsContact C-N 3.32Å; V42-W44 PolarHBondContact O-N 3.01Å; W44-R46 VanDerWaalsContact C-N 3.35Å; W44-R46 PolarHBondContact O-N 3.42Å; W44-C47 PolarHBondContact O-N 2.91Å; W44-F48 VanDerWaalsContact O-CB 3.28Å; W44-F48 WeakPolarHBondContact O-CB 3.39Å; W44-F48 PolarHBondContact O-N 2.83Å
45I84.3Confident83.2Confident70 Ų7099.5 Ų99.536%0.35952%0.518SS..Hα-helixtrans-59.8-46.5174.1-69.3170.9000110.4F41 V42 C47 F48 C49F41-I45 HydrophobicContact CD1-CD1 3.91Å; F41-I45 HydrophobicContact CE1-CD1 3.43Å; F41-I45 VanDerWaalsContact CE1-CD1 3.43Å; F41-I45 HydrophobicContact CE1-CG1 4.33Å; F41-I45 HydrophobicContact CZ-CD1 3.79Å; F41-I45 HydrophobicContact CZ-CG1 4.33Å; F41-I45 WeakPolarHBondContact O-CG1 3.34Å; F41-I45 PolarHBondContact O-N 3.33Å; V42-I45 PolarHBondContact O-N 3.5Å; I45-C47 PolarHBondContact O-N 3.3Å; I45-F48 PolarHBondContact O-N 2.79Å; I45-C49 WeakPolarHBondContact O-CB 3.41Å; I45-C49 PolarHBondContact O-N 3.5Å; I45-C49 PolarHBondContact O-SG 3.32Å; I45-C49 VanDerWaalsContact O-SG 3.34Å
46R82.7Confident83.4Confident135 Ų13599.9 Ų99.951%0.50952%0.516SS..Hα-helixtrans-58.7-48.2178.7-175.2-174.769.594.72.6111.1V42 D43 W44 N50V42-R46 WeakPolarHBondContact O-CB 3.37Å; V42-R46 PolarHBondContact O-N 2.86Å; D43-R46 PolarHBondContact O-N 3.48Å; D43-R46 IonicContact OD1-CZ 3.16Å; D43-R46 IonicContact OD1-NE 2.81Å; D43-R46 PolarHBondContact OD1-NE 2.88Å; D43-R46 IonicContact OD1-NH2 2.68Å; D43-R46 PolarHBondContact OD1-NH2 2.92Å; D43-R46 IonicContact OD2-NH2 3.83Å; W44-R46 VanDerWaalsContact C-N 3.35Å; W44-R46 PolarHBondContact O-N 3.42Å; R46-N50 VanDerWaalsContact O-CB 3.27Å; R46-N50 WeakPolarHBondContact O-CB 3.22Å; R46-N50 PolarHBondContact O-N 3.4Å; R46-N50 PolarHBondContact O-ND2 3.09Å
47C85.6Confident83.5Confident61 Ų61101.5 Ų101.541%0.41252%0.521SS..Hα-helixtrans-63.5-41.6177.5-72.20000111.8D43 W44 I45 N50 A51D43-C47 WeakPolarHBondContact O-CB 3.49Å; D43-C47 PolarHBondContact O-N 2.87Å; D43-C47 PolarHBondContact O-SG 3.49Å; W44-C47 PolarHBondContact O-N 2.91Å; I45-C47 PolarHBondContact O-N 3.3Å; C47-N50 PolarHBondContact O-N 3Å; C47-A51 VanDerWaalsContact O-CB 3.23Å; C47-A51 WeakPolarHBondContact O-CB 3.21Å; C47-A51 PolarHBondContact O-N 3.24Å
48F85.1Confident83.9Confident127 Ų12797.2 Ų97.256%0.55752%0.52SS*.Hα-helixtrans-63.1-49.9177.4179.8-95.6000111.8W44 I45 N50 A51 A52W44-F48 VanDerWaalsContact O-CB 3.28Å; W44-F48 WeakPolarHBondContact O-CB 3.39Å; W44-F48 PolarHBondContact O-N 2.83Å; I45-F48 PolarHBondContact O-N 2.79Å; F48-N50 PolarHBondContact O-N 2.77Å; F48-A51 PolarHBondContact O-N 3.5Å; F48-A52 WeakPolarHBondContact O-CB 3.33Å; F48-A52 PolarHBondContact O-N 2.94Å
49C80.8Confident84.3Confident60 Ų60101.7 Ų101.741%0.40553%0.527SS..Hα-helixtrans-61.4-43.5176.7-68.80000111.6I45 A51 A52 C53I45-C49 WeakPolarHBondContact O-CB 3.41Å; I45-C49 PolarHBondContact O-N 3.5Å; I45-C49 PolarHBondContact O-SG 3.32Å; I45-C49 VanDerWaalsContact O-SG 3.34Å; C49-A51 VanDerWaalsContact C-N 3.33Å; C49-A51 PolarHBondContact O-N 3.01Å; C49-A52 PolarHBondContact O-N 3.26Å; C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.24Å; C49-C53 PolarHBondContact O-N 3.34Å; C49-C53 PolarHBondContact O-SG 2.88Å; C49-C53 VanDerWaalsContact O-SG 3.36Å
50N82.9Confident84.5Confident96 Ų9698.5 Ų98.551%0.51351%0.509SS..Hα-helixtrans-66.6-34.2177.6-72.6-13.2000112.6R46 C47 F48 R54R46-N50 VanDerWaalsContact O-CB 3.27Å; R46-N50 WeakPolarHBondContact O-CB 3.22Å; R46-N50 PolarHBondContact O-N 3.4Å; R46-N50 PolarHBondContact O-ND2 3.09Å; C47-N50 PolarHBondContact O-N 3Å; F48-N50 PolarHBondContact O-N 2.77Å; N50-R54 PolarHBondContact O-N 3.43Å
51A85.4Confident84.8Confident67 Ų6798.8 Ų98.855%0.55450%0.503SS*.Hα-helixtrans-70.4-44.2174.900000111.4C47 F48 C49 C53 R54C47-A51 VanDerWaalsContact O-CB 3.23Å; C47-A51 WeakPolarHBondContact O-CB 3.21Å; C47-A51 PolarHBondContact O-N 3.24Å; F48-A51 PolarHBondContact O-N 3.5Å; C49-A51 VanDerWaalsContact C-N 3.33Å; C49-A51 PolarHBondContact O-N 3.01Å; A51-C53 VanDerWaalsContact C-N 3.32Å; A51-C53 PolarHBondContact O-N 3.39Å; A51-R54 WeakPolarHBondContact O-CB 3.28Å; A51-R54 PolarHBondContact O-N 2.99Å
52A82.6Confident85.1Confident67 Ų6795.3 Ų95.355%0.55450%0.497SS*.Hα-helixtrans-66.7-32.6178.200000112.7F48 C49F48-A52 WeakPolarHBondContact O-CB 3.33Å; F48-A52 PolarHBondContact O-N 2.94Å; C49-A52 PolarHBondContact O-N 3.26Å
53C82.6Confident85.4Confident45 Ų4593 Ų9330%0.30449%0.488SS..THydrogen-bonded Turntrans-96.69.9180-62.40000114C49 A51 D55 L56 V61C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.24Å; C49-C53 PolarHBondContact O-N 3.34Å; C49-C53 PolarHBondContact O-SG 2.88Å; C49-C53 VanDerWaalsContact O-SG 3.36Å; A51-C53 VanDerWaalsContact C-N 3.32Å; A51-C53 PolarHBondContact O-N 3.39Å; C53-D55 VanDerWaalsContact C-N 3.26Å; C53-D55 PolarHBondContact O-N 3.3Å; C53-L56 HydrophobicContact CB-CD1 4.38Å; C53-L56 PolarHBondContact O-N 3.36Å; C53-L56 VanDerWaalsContact O-N 3.16Å; C53-V61 HydrophobicContact CB-CG2 4.07Å
54R79.7Confident85.8Confident203 Ų20396 Ų9677%0.76650%0.495SS*.THydrogen-bonded Turntrans-59.1-36.5-173.7179.5178.5-87.8-168.2-4.9113.2N50 A51N50-R54 PolarHBondContact O-N 3.43Å; A51-R54 WeakPolarHBondContact O-CB 3.28Å; A51-R54 PolarHBondContact O-N 2.99Å
55D86Confident86Confident155 Ų15592.1 Ų92.183%0.82949%0.488SS*.THydrogen-bonded Turntrans-97.66.3-176.8-56.7-37.9000113C53C53-D55 VanDerWaalsContact C-N 3.26Å; C53-D55 PolarHBondContact O-N 3.3Å
56L85.1Confident86.4Confident59 Ų5995.6 Ų95.631%0.30950%0.501SS..SBendtrans-99.5137.8-178.3-65.2177.3000111.3C53 Q60 V61 Y64C53-L56 HydrophobicContact CB-CD1 4.38Å; C53-L56 PolarHBondContact O-N 3.36Å; C53-L56 VanDerWaalsContact O-N 3.16Å; L56-Q60 HydrophobicContact CB-CB 4.41Å; L56-Q60 HydrophobicContact CD2-CB 4.43Å; L56-V61 HydrophobicContact CB-CG2 3.99Å; L56-V61 HydrophobicContact CD1-CG2 4.44Å; L56-Y64 HydrophobicContact CD1-CD2 4.09Å; L56-Y64 HydrophobicContact CD1-CE2 3.92Å; L56-Y64 HydrophobicContact CD2-CE2 4.01Å
57E85.9Confident86.9Confident114 Ų11495.5 Ų95.553%0.53351%0.505SS..  trans-71.6151.1172.3-65.6-172.4158.800110.7W59 Q60 V61E57-W59 PolarHBondContact O-N 3.47Å; E57-W59 VanDerWaalsContact O-N 3.08Å; E57-W59 PolarHBondContact OE2-NE1 3.33Å; E57-Q60 HydrophobicContact CB-CG 4.3Å; E57-Q60 WeakPolarHBondContact O-CB 3.39Å; E57-Q60 PolarHBondContact O-N 3.49Å; E57-V61 PolarHBondContact O-N 3.18Å
58P86.9Confident87.2Confident116 Ų11698.2 Ų98.275%0.75351%0.51SS*.Hα-helixtrans-54.7-34.3-175.9-28.234.9000114.7A62P58-A62 PolarHBondContact O-N 3.04Å
59W88.9Confident87.6Confident158 Ų15896.7 Ų96.760%0.59851%0.506SS*.Hα-helixtrans-71.4-30.1177.573.7-92.1000112.6E57 A62 A63E57-W59 PolarHBondContact O-N 3.47Å; E57-W59 VanDerWaalsContact O-N 3.08Å; E57-W59 PolarHBondContact OE2-NE1 3.33Å; W59-A62 PolarHBondContact O-N 3.17Å; W59-A63 WeakPolarHBondContact O-CB 3.3Å; W59-A63 PolarHBondContact O-N 3.3Å
60Q90Very high88.2Confident47 Ų4796.3 Ų96.322%0.2250%0.504CS..Hα-helixtrans-68.8-41.8176.5-63.9178.1-4100110.3L56 E57 A62 A63 Y64L56-Q60 HydrophobicContact CB-CB 4.41Å; L56-Q60 HydrophobicContact CD2-CB 4.43Å; E57-Q60 HydrophobicContact CB-CG 4.3Å; E57-Q60 WeakPolarHBondContact O-CB 3.39Å; E57-Q60 PolarHBondContact O-N 3.49Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 2.96Å; Q60-A63 PolarHBondContact O-N 3.05Å; Q60-Y64 HydrophobicContact CB-CD2 4.47Å; Q60-Y64 HydrophobicContact CB-CE2 4.07Å; Q60-Y64 WeakPolarHBondContact O-CB 3.33Å; Q60-Y64 WeakPolarHBondContact O-CD2 3.32Å; Q60-Y64 VanDerWaalsContact O-CG 3.27Å; Q60-Y64 PolarHBondContact O-N 3.11Å
61V88.7Confident88.6Confident48 Ų4894.8 Ų94.829%0.29150%0.495SS..Hα-helixtrans-59.9-45.9174.4-1780000110.3C53 L56 E57 A63 Y64 T65C53-V61 HydrophobicContact CB-CG2 4.07Å; L56-V61 HydrophobicContact CB-CG2 3.99Å; L56-V61 HydrophobicContact CD1-CG2 4.44Å; E57-V61 PolarHBondContact O-N 3.18Å; V61-A63 PolarHBondContact O-N 3.43Å; V61-Y64 PolarHBondContact O-N 3.43Å; V61-T65 HydrophobicContact CG1-CG2 4.42Å; V61-T65 VanDerWaalsContact O-CG2 3.25Å; V61-T65 WeakPolarHBondContact O-CG2 3.43Å; V61-T65 PolarHBondContact O-N 3.18Å; V61-T65 PolarHBondContact O-OG1 3.22Å; V61-T65 VanDerWaalsContact O-OG1 3.08Å
62A89.8Confident88.9Confident54 Ų5496 Ų9645%0.44649%0.492SS..Hα-helixtrans-63.3-38.817600000113P58 W59 Q60 T65 F66P58-A62 PolarHBondContact O-N 3.04Å; W59-A62 PolarHBondContact O-N 3.17Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 2.96Å; A62-T65 WeakPolarHBondContact CA-OG1 3.24Å; A62-T65 PolarHBondContact O-OG1 2.98Å; A62-F66 VanDerWaalsContact O-CB 3.26Å; A62-F66 WeakPolarHBondContact O-CB 3.37Å; A62-F66 PolarHBondContact O-N 2.92Å
63A91.4Very high89.2Confident44 Ų4497.6 Ų97.636%0.36449%0.491SS..Hα-helixtrans-67.4-42.3177.200000112W59 Q60 V61 F67W59-A63 WeakPolarHBondContact O-CB 3.3Å; W59-A63 PolarHBondContact O-N 3.3Å; Q60-A63 PolarHBondContact O-N 3.05Å; V61-A63 PolarHBondContact O-N 3.43Å; A63-F67 VanDerWaalsContact O-CB 3.29Å; A63-F67 WeakPolarHBondContact O-CB 3.18Å; A63-F67 PolarHBondContact O-N 3.06Å
64Y90.2Very high89.3Confident135 Ų135103 Ų10353%0.52951%0.505SS..Hα-helixtrans-69.3-39.7177.6-64.9-40.5000112.6L56 Q60 V61 F67 F68L56-Y64 HydrophobicContact CD1-CD2 4.09Å; L56-Y64 HydrophobicContact CD1-CE2 3.92Å; L56-Y64 HydrophobicContact CD2-CE2 4.01Å; Q60-Y64 HydrophobicContact CB-CD2 4.47Å; Q60-Y64 HydrophobicContact CB-CE2 4.07Å; Q60-Y64 WeakPolarHBondContact O-CB 3.33Å; Q60-Y64 WeakPolarHBondContact O-CD2 3.32Å; Q60-Y64 VanDerWaalsContact O-CG 3.27Å; Q60-Y64 PolarHBondContact O-N 3.11Å; V61-Y64 PolarHBondContact O-N 3.43Å; Y64-F67 PolarHBondContact O-N 2.74Å; Y64-F68 WeakPolarHBondContact O-CB 3.37Å; Y64-F68 PolarHBondContact O-N 3.42Å
65T90.7Very high89.5Confident73 Ų7395.3 Ų95.345%0.44848%0.482SS..Hα-helixtrans-65.1-44.3175.455.40000110.8V61 A62 F68 I69V61-T65 HydrophobicContact CG1-CG2 4.42Å; V61-T65 VanDerWaalsContact O-CG2 3.25Å; V61-T65 WeakPolarHBondContact O-CG2 3.43Å; V61-T65 PolarHBondContact O-N 3.18Å; V61-T65 PolarHBondContact O-OG1 3.22Å; V61-T65 VanDerWaalsContact O-OG1 3.08Å; A62-T65 WeakPolarHBondContact CA-OG1 3.24Å; A62-T65 PolarHBondContact O-OG1 2.98Å; T65-F68 PolarHBondContact O-N 3.39Å; T65-I69 WeakPolarHBondContact O-CB 3.33Å; T65-I69 VanDerWaalsContact O-CG1 3.24Å; T65-I69 WeakPolarHBondContact O-CG1 3.33Å; T65-I69 PolarHBondContact O-N 2.93Å
66F93.1Very high89.2Confident144 Ų14493.4 Ų93.463%0.63247%0.468SS*.Hα-helixtrans-59.7-47.3174.2-177.7-99.6000111.7A62 F68 I69 C70A62-F66 VanDerWaalsContact O-CB 3.26Å; A62-F66 WeakPolarHBondContact O-CB 3.37Å; A62-F66 PolarHBondContact O-N 2.92Å; F66-F68 VanDerWaalsContact C-N 3.35Å; F66-F68 PolarHBondContact O-N 3.32Å; F66-I69 PolarHBondContact O-N 3.18Å; F66-C70 VanDerWaalsContact CE1-SG 3.59Å; F66-C70 VanDerWaalsContact CZ-SG 3.56Å; F66-C70 WeakPolarHBondContact O-CB 3.34Å; F66-C70 PolarHBondContact O-N 3.33Å; F66-C70 PolarHBondContact O-SG 3.31Å; F66-C70 VanDerWaalsContact O-SG 3.36Å
67F93.8Very high88.9Confident132 Ų13293.1 Ų93.158%0.57947%0.471SS*.Hα-helixtrans-59.2-44.2176.7177.8-96.3000112.1A63 Y64 C70 L71A63-F67 VanDerWaalsContact O-CB 3.29Å; A63-F67 WeakPolarHBondContact O-CB 3.18Å; A63-F67 PolarHBondContact O-N 3.06Å; Y64-F67 PolarHBondContact O-N 2.74Å; F67-C70 PolarHBondContact O-N 2.99Å; F67-L71 HydrophobicContact CE1-CD2 4.34Å; F67-L71 VanDerWaalsContact O-CB 3.27Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 3.38Å
68F91.5Very high88.2Confident119 Ų11989.5 Ų89.552%0.52246%0.455SS..Hα-helixtrans-68.1-39.3179.6-166.6-103.3000111.9Y64 T65 F66 L71 L72Y64-F68 WeakPolarHBondContact O-CB 3.37Å; Y64-F68 PolarHBondContact O-N 3.42Å; T65-F68 PolarHBondContact O-N 3.39Å; F66-F68 VanDerWaalsContact C-N 3.35Å; F66-F68 PolarHBondContact O-N 3.32Å; F68-L71 PolarHBondContact O-N 2.98Å; F68-L72 HydrophobicContact CD1-CD1 3.71Å; F68-L72 HydrophobicContact CD1-CG 4.08Å; F68-L72 HydrophobicContact CE1-CD1 3.49Å; F68-L72 VanDerWaalsContact CE1-CD1 3.49Å; F68-L72 HydrophobicContact CE1-CD2 4.25Å; F68-L72 HydrophobicContact CE1-CG 3.88Å; F68-L72 HydrophobicContact CZ-CD1 4.34Å; F68-L72 HydrophobicContact CZ-CD2 4.3Å; F68-L72 HydrophobicContact CZ-CG 4.33Å; F68-L72 WeakPolarHBondContact O-CB 3.41Å; F68-L72 VanDerWaalsContact O-CG 3.31Å; F68-L72 WeakPolarHBondContact O-CG 3.12Å; F68-L72 PolarHBondContact O-N 2.91Å
69I93.4Very high87.5Confident95 Ų9590.4 Ų90.449%0.48745%0.447SS..Hα-helixtrans-62.4-47.9173-68.4165.6000110.2T65 F66 L71 L72 L73T65-I69 WeakPolarHBondContact O-CB 3.33Å; T65-I69 VanDerWaalsContact O-CG1 3.24Å; T65-I69 WeakPolarHBondContact O-CG1 3.33Å; T65-I69 PolarHBondContact O-N 2.93Å; F66-I69 PolarHBondContact O-N 3.18Å; I69-L71 VanDerWaalsContact C-N 3.3Å; I69-L71 PolarHBondContact O-N 3.5Å; I69-L72 PolarHBondContact O-N 3.45Å; I69-L73 HydrophobicContact CG2-CD1 4.02Å; I69-L73 HydrophobicContact CG2-CG 4.41Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 2.9Å
70C93.4Very high86.5Confident51 Ų5186.9 Ų86.935%0.34545%0.446SS..Hα-helixtrans-60.9-38.5175.6-71.40000112.3F66 F67 W74F66-C70 VanDerWaalsContact CE1-SG 3.59Å; F66-C70 VanDerWaalsContact CZ-SG 3.56Å; F66-C70 WeakPolarHBondContact O-CB 3.34Å; F66-C70 PolarHBondContact O-N 3.33Å; F66-C70 PolarHBondContact O-SG 3.31Å; F66-C70 VanDerWaalsContact O-SG 3.36Å; F67-C70 PolarHBondContact O-N 2.99Å; C70-W74 WeakPolarHBondContact O-CB 3.38Å; C70-W74 PolarHBondContact O-N 3.03Å
71L92.6Very high85.1Confident64 Ų6490.3 Ų90.334%0.33547%0.466SS..Hα-helixtrans-66.2-41176-177.368.8000111.3F67 F68 I69 W74 C75F67-L71 HydrophobicContact CE1-CD2 4.34Å; F67-L71 VanDerWaalsContact O-CB 3.27Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 3.38Å; F68-L71 PolarHBondContact O-N 2.98Å; I69-L71 VanDerWaalsContact C-N 3.3Å; I69-L71 PolarHBondContact O-N 3.5Å; L71-W74 HydrophobicContact CD1-CE3 4.05Å; L71-W74 HydrophobicContact CD1-CZ3 4.44Å; L71-W74 PolarHBondContact O-N 3.07Å; L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.04Å; L71-C75 PolarHBondContact O-SG 2.9Å
72L90.1Very high83.8Confident94 Ų9494.4 Ų94.449%0.49248%0.478SS..Hα-helixtrans-64.9-46.1175.4-74.8177.2000111.5F68 I69 W74 C75 E76F68-L72 HydrophobicContact CD1-CD1 3.71Å; F68-L72 HydrophobicContact CD1-CG 4.08Å; F68-L72 HydrophobicContact CE1-CD1 3.49Å; F68-L72 VanDerWaalsContact CE1-CD1 3.49Å; F68-L72 HydrophobicContact CE1-CD2 4.25Å; F68-L72 HydrophobicContact CE1-CG 3.88Å; F68-L72 HydrophobicContact CZ-CD1 4.34Å; F68-L72 HydrophobicContact CZ-CD2 4.3Å; F68-L72 HydrophobicContact CZ-CG 4.33Å; F68-L72 WeakPolarHBondContact O-CB 3.41Å; F68-L72 VanDerWaalsContact O-CG 3.31Å; F68-L72 WeakPolarHBondContact O-CG 3.12Å; F68-L72 PolarHBondContact O-N 2.91Å; I69-L72 PolarHBondContact O-N 3.45Å; L72-W74 VanDerWaalsContact C-N 3.32Å; L72-W74 PolarHBondContact O-N 3.01Å; L72-C75 PolarHBondContact O-N 3.2Å; L72-E76 WeakPolarHBondContact O-CB 3.29Å; L72-E76 PolarHBondContact O-N 2.95Å
73L89.3Confident82.7Confident100 Ų100101.4 Ų101.452%0.52450%0.501SS..Hα-helixtrans-63.8-36.9175.2-67.4174.3000112I69 E76 S77I69-L73 HydrophobicContact CG2-CD1 4.02Å; I69-L73 HydrophobicContact CG2-CG 4.41Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 2.9Å; L73-E76 PolarHBondContact O-N 3.05Å; L73-S77 WeakPolarHBondContact O-CB 3.31Å; L73-S77 PolarHBondContact O-N 3.21Å; L73-S77 PolarHBondContact O-OG 3.12Å
74W85.2Confident81.8Confident157 Ų157103.2 Ų103.260%0.59550%0.504SS*.Hα-helixtrans-67.9-43174.5-178.773.9000111.8C70 L71 L72 S77 I78C70-W74 WeakPolarHBondContact O-CB 3.38Å; C70-W74 PolarHBondContact O-N 3.03Å; L71-W74 HydrophobicContact CD1-CE3 4.05Å; L71-W74 HydrophobicContact CD1-CZ3 4.44Å; L71-W74 PolarHBondContact O-N 3.07Å; L72-W74 VanDerWaalsContact C-N 3.32Å; L72-W74 PolarHBondContact O-N 3.01Å; W74-S77 WeakPolarHBondContact CA-OG 3.17Å; W74-S77 PolarHBondContact O-N 3.27Å; W74-S77 PolarHBondContact O-OG 3.03Å; W74-I78 HydrophobicContact CD2-CD1 3.62Å; W74-I78 HydrophobicContact CE3-CD1 3.81Å; W74-I78 HydrophobicContact CG-CD1 4.39Å; W74-I78 HydrophobicContact CH2-CD1 3.5Å; W74-I78 VanDerWaalsContact CH2-CD1 3.5Å; W74-I78 HydrophobicContact CZ2-CD1 3.27Å; W74-I78 HydrophobicContact CZ3-CD1 3.76Å; W74-I78 WeakPolarHBondContact O-CB 3.36Å; W74-I78 VanDerWaalsContact O-CG1 3.31Å; W74-I78 WeakPolarHBondContact O-CG1 3.26Å; W74-I78 PolarHBondContact O-N 3.36Å
75C82.8Confident81.3Confident43 Ų43100.6 Ų100.629%0.29150%0.504SS..Hα-helixtrans-60.8-46.3172-76.30000110.8L71 L72 I78 F79L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.04Å; L71-C75 PolarHBondContact O-SG 2.9Å; L72-C75 PolarHBondContact O-N 3.2Å; C75-I78 CarbonylContact O-C 3.55Å; C75-I78 WeakPolarHBondContact O-CA 3.39Å; C75-I78 WeakPolarHBondContact O-CB 3.44Å; C75-I78 PolarHBondContact O-N 3Å; C75-I78 VanDerWaalsContact O-N 3.13Å; C75-F79 HydrophobicContact CB-CD2 4.39Å; C75-F79 HydrophobicContact CB-CE2 4.43Å; C75-F79 WeakPolarHBondContact O-CD2 3.29Å; C75-F79 PolarHBondContact O-N 2.89Å
76E81.5Confident80.8Confident115 Ų115102.7 Ų102.754%0.53751%0.507SS..Hα-helixtrans-59.8-49.3177-171.4-179-169.600111.1L72 L73 I78 F79 S80L72-E76 WeakPolarHBondContact O-CB 3.29Å; L72-E76 PolarHBondContact O-N 2.95Å; L73-E76 PolarHBondContact O-N 3.05Å; E76-I78 PolarHBondContact O-N 3.36Å; E76-F79 CarbonylContact O-C 3.55Å; E76-F79 PolarHBondContact O-N 3.08Å; E76-S80 WeakPolarHBondContact O-CA 3.34Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.41Å
77S77.9Confident80.3Confident53 Ų53101.1 Ų101.137%0.37151%0.509SS..Hα-helixtrans-60.3-32.5174.8650000113.1L73 W74 Y82L73-S77 WeakPolarHBondContact O-CB 3.31Å; L73-S77 PolarHBondContact O-N 3.21Å; L73-S77 PolarHBondContact O-OG 3.12Å; W74-S77 WeakPolarHBondContact CA-OG 3.17Å; W74-S77 PolarHBondContact O-N 3.27Å; W74-S77 PolarHBondContact O-OG 3.03Å; S77-Y82 WeakPolarHBondContact O-CE2 3.37Å
78I71.2Confident79.8Confident37 Ų3797.2 Ų97.219%0.1950%0.496CS..Hα-helixtrans-69.2-35.4172.3-75.4176.9000111.3W74 C75 E76 R89W74-I78 HydrophobicContact CD2-CD1 3.62Å; W74-I78 HydrophobicContact CE3-CD1 3.81Å; W74-I78 HydrophobicContact CG-CD1 4.39Å; W74-I78 HydrophobicContact CH2-CD1 3.5Å; W74-I78 VanDerWaalsContact CH2-CD1 3.5Å; W74-I78 HydrophobicContact CZ2-CD1 3.27Å; W74-I78 HydrophobicContact CZ3-CD1 3.76Å; W74-I78 WeakPolarHBondContact O-CB 3.36Å; W74-I78 VanDerWaalsContact O-CG1 3.31Å; W74-I78 WeakPolarHBondContact O-CG1 3.26Å; W74-I78 PolarHBondContact O-N 3.36Å; C75-I78 CarbonylContact O-C 3.55Å; C75-I78 WeakPolarHBondContact O-CA 3.39Å; C75-I78 WeakPolarHBondContact O-CB 3.44Å; C75-I78 PolarHBondContact O-N 3Å; C75-I78 VanDerWaalsContact O-N 3.13Å; E76-I78 PolarHBondContact O-N 3.36Å; I78-R89 VanDerWaalsContact CG2-NH1 3.33Å; I78-R89 PolarHBondContact O-NH1 2.89Å; I78-R89 PolarHBondContact O-NH2 3.45Å
79F72.2Confident79.2Confident136 Ų13694 Ų9460%0.59648%0.48SS*.Hα-helixtrans-94-27-175.7-71.3-66.8000114.1C75 E76C75-F79 HydrophobicContact CB-CD2 4.39Å; C75-F79 HydrophobicContact CB-CE2 4.43Å; C75-F79 WeakPolarHBondContact O-CD2 3.29Å; C75-F79 PolarHBondContact O-N 2.89Å; E76-F79 CarbonylContact O-C 3.55Å; E76-F79 PolarHBondContact O-N 3.08Å
80S66.7Low78.9Confident83 Ų8393.2 Ų93.258%0.5848%0.477SS*.Hα-helixtrans-88.6-31.2-168.4-164.10000113.6E76E76-S80 WeakPolarHBondContact O-CA 3.34Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.41Å
81D60.9Low78.6Confident119 Ų11999.7 Ų99.764%0.63649%0.494SS*.SBendtrans-10214.3-169-81-11.3000115.4
82Y61.2Low78.3Confident135 Ų13599.7 Ų99.753%0.52949%0.494SS..  trans-138.5112.5-171.6-57.9-79.7000113S77 D84S77-Y82 WeakPolarHBondContact O-CE2 3.37Å; Y82-D84 PolarHBondContact O-N 3.23Å; Y82-D84 VanDerWaalsContact O-N 3.12Å
83E68.3Low78.1Confident201 Ų201101.5 Ų101.594%0.93950%0.498SS*.SBendtrans-55.6-22.7168.4-62.5-177.4155.100112.6
84D71.3Confident78.2Confident81 Ų81101.5 Ų101.543%0.43350%0.498SS..SBendtrans-80.9126.4-177.6-79.6-32.2000113.2Y82 V88 R89Y82-D84 PolarHBondContact O-N 3.23Å; Y82-D84 VanDerWaalsContact O-N 3.12Å; D84-V88 HydrophobicContact CB-CB 4.42Å; D84-V88 HydrophobicContact CB-CG1 4.41Å; D84-R89 HydrophobicContact CB-CG 4.08Å; D84-R89 PolarHBondContact O-NE 3.14Å
85P80.3Confident78.4Confident81 Ų8199.8 Ų99.853%0.52650%0.495SS..  trans-52.5144.6172-25.532.9000112.3V87 V88 R89P85-V87 PolarHBondContact O-N 3.29Å; P85-V88 HydrophobicContact CB-CG2 4.38Å; P85-V88 HydrophobicContact CG-CG2 4.42Å; P85-V88 WeakPolarHBondContact O-CB 3.17Å; P85-V88 PolarHBondContact O-N 3.32Å; P85-R89 PolarHBondContact O-N 2.98Å
86F79.5Confident78.8Confident116 Ų116105.2 Ų105.251%0.50951%0.51SS..Hα-helixtrans-49.5-35.8179.6176-100.4000113.5V88 R89 L90F86-V88 PolarHBondContact O-N 3.2Å; F86-R89 PolarHBondContact O-N 2.97Å; F86-L90 HydrophobicContact CE1-CD2 4.38Å; F86-L90 PolarHBondContact O-N 2.79Å
87V83.6Confident79.2Confident111 Ų111101.7 Ų101.767%0.67350%0.498SS*.Hα-helixtrans-61.8-41177.4-178.50000112.2P85 R89 R91P85-V87 PolarHBondContact O-N 3.29Å; V87-R89 VanDerWaalsContact C-N 3.31Å; V87-R91 VanDerWaalsContact O-CB 3.27Å; V87-R91 WeakPolarHBondContact O-CB 3.16Å; V87-R91 PolarHBondContact O-N 3.29Å
88V83.7Confident79.8Confident50 Ų50101 Ų10130%0.30350%0.495SS..Hα-helixtrans-65.3-39.8176.9178.40000109.9D84 P85 F86 R91 N92D84-V88 HydrophobicContact CB-CB 4.42Å; D84-V88 HydrophobicContact CB-CG1 4.41Å; P85-V88 HydrophobicContact CB-CG2 4.38Å; P85-V88 HydrophobicContact CG-CG2 4.42Å; P85-V88 WeakPolarHBondContact O-CB 3.17Å; P85-V88 PolarHBondContact O-N 3.32Å; F86-V88 PolarHBondContact O-N 3.2Å; V88-R91 PolarHBondContact O-N 2.86Å; V88-N92 WeakPolarHBondContact O-CB 3.26Å; V88-N92 PolarHBondContact O-N 2.83Å; V88-N92 PolarHBondContact O-ND2 2.82Å
89R79Confident80.7Confident51 Ų51104.7 Ų104.719%0.19251%0.507CS..Hα-helixtrans-67.5-45.6178.6-63.7-172.7-76.2151-8112.4I78 D84 P85 F86 V87 R91 N92 F93I78-R89 VanDerWaalsContact CG2-NH1 3.33Å; I78-R89 PolarHBondContact O-NH1 2.89Å; I78-R89 PolarHBondContact O-NH2 3.45Å; D84-R89 HydrophobicContact CB-CG 4.08Å; D84-R89 PolarHBondContact O-NE 3.14Å; P85-R89 PolarHBondContact O-N 2.98Å; F86-R89 PolarHBondContact O-N 2.97Å; V87-R89 VanDerWaalsContact C-N 3.31Å; R89-R91 VanDerWaalsContact C-N 3.35Å; R89-R91 PolarHBondContact O-N 3.32Å; R89-N92 PolarHBondContact O-N 3.5Å; R89-F93 WeakPolarHBondContact O-CB 3.27Å; R89-F93 PolarHBondContact O-N 3.29Å
90L85.6Confident81.5Confident79 Ų79107.8 Ų107.841%0.41451%0.514SS..Hα-helixtrans-61.8-44174.4-17861.2000111F86 N92 F93 L94F86-L90 HydrophobicContact CE1-CD2 4.38Å; F86-L90 PolarHBondContact O-N 2.79Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.45Å; L90-F93 PolarHBondContact O-N 3.22Å; L90-L94 HydrophobicContact CD1-CD1 4.21Å; L90-L94 HydrophobicContact CD1-CG 4.12Å; L90-L94 HydrophobicContact CG-CD1 4Å; L90-L94 HydrophobicContact CG-CG 4.34Å; L90-L94 WeakPolarHBondContact O-CB 3.24Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.23Å
91R87.9Confident82.8Confident188 Ų188107.1 Ų107.171%0.70950%0.504SS*.Hα-helixtrans-57.2-46.4173.5179.4-176.2175-165.6-1.2111.3V87 V88 R89 L94 F95V87-R91 VanDerWaalsContact O-CB 3.27Å; V87-R91 WeakPolarHBondContact O-CB 3.16Å; V87-R91 PolarHBondContact O-N 3.29Å; V88-R91 PolarHBondContact O-N 2.86Å; R89-R91 VanDerWaalsContact C-N 3.35Å; R89-R91 PolarHBondContact O-N 3.32Å; R91-L94 PolarHBondContact O-N 3.13Å; R91-F95 WeakPolarHBondContact O-CB 3.44Å; R91-F95 PolarHBondContact O-N 3.25Å
92N85.6Confident84.3Confident64 Ų64106.2 Ų106.234%0.34251%0.505SS..Hα-helixtrans-65.1-40.1178.7-75.2-18.6000111.9V88 R89 L90 R96V88-N92 WeakPolarHBondContact O-CB 3.26Å; V88-N92 PolarHBondContact O-N 2.83Å; V88-N92 PolarHBondContact O-ND2 2.82Å; R89-N92 PolarHBondContact O-N 3.5Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.45Å; N92-R96 VanDerWaalsContact O-CB 3.26Å; N92-R96 WeakPolarHBondContact O-CB 3.37Å; N92-R96 WeakPolarHBondContact O-CG 3.13Å; N92-R96 PolarHBondContact O-N 3.42Å
93F86.1Confident85.9Confident131 Ų131108 Ų10858%0.57551%0.511SS*.Hα-helixtrans-65.3-47.7175.9177.8-96.5000111.9R89 L90 F95 R96 S97R89-F93 WeakPolarHBondContact O-CB 3.27Å; R89-F93 PolarHBondContact O-N 3.29Å; L90-F93 PolarHBondContact O-N 3.22Å; F93-F95 VanDerWaalsContact C-N 3.35Å; F93-F95 PolarHBondContact O-N 3.34Å; F93-R96 PolarHBondContact O-N 3.15Å; F93-S97 WeakPolarHBondContact O-CB 3.49Å; F93-S97 PolarHBondContact O-N 3.21Å; F93-S97 PolarHBondContact O-OG 3.47Å
94L91.7Very high87.1Confident100 Ų100100 Ų10052%0.52448%0.476SS..Hα-helixtrans-62.6-42.7176-69.6175.6000110.9L90 R91 S97 A98L90-L94 HydrophobicContact CD1-CD1 4.21Å; L90-L94 HydrophobicContact CD1-CG 4.12Å; L90-L94 HydrophobicContact CG-CD1 4Å; L90-L94 HydrophobicContact CG-CG 4.34Å; L90-L94 WeakPolarHBondContact O-CB 3.24Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.23Å; R91-L94 PolarHBondContact O-N 3.13Å; L94-S97 PolarHBondContact O-N 2.81Å; L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 2.83Å; L94-A98 PolarHBondContact O-N 3.23Å
95F90.4Very high88.1Confident122 Ų122103 Ų10354%0.53549%0.485SS..Hα-helixtrans-63.6-44.2175.7-175.1-104.5000111.9R91 F93 S97 A98 R99R91-F95 WeakPolarHBondContact O-CB 3.44Å; R91-F95 PolarHBondContact O-N 3.25Å; F93-F95 VanDerWaalsContact C-N 3.35Å; F93-F95 PolarHBondContact O-N 3.34Å; F95-S97 VanDerWaalsContact C-N 3.32Å; F95-S97 PolarHBondContact O-N 2.9Å; F95-A98 PolarHBondContact O-N 3.2Å; F95-R99 HydrophobicContact CD1-CG 4.47Å; F95-R99 HydrophobicContact CE1-CG 4.2Å; F95-R99 HydrophobicContact CZ-CG 4.27Å; F95-R99 VanDerWaalsContact O-CG 3.31Å; F95-R99 WeakPolarHBondContact O-CG 3.27Å; F95-R99 PolarHBondContact O-N 3.48Å
96R89.3Confident88.7Confident157 Ų157107.9 Ų107.959%0.59249%0.493SS*.Hα-helixtrans-60.4-41.8174.3-77.3172.3-177-166.83111.3N92 F93N92-R96 VanDerWaalsContact O-CB 3.26Å; N92-R96 WeakPolarHBondContact O-CB 3.37Å; N92-R96 WeakPolarHBondContact O-CG 3.13Å; N92-R96 PolarHBondContact O-N 3.42Å; F93-R96 PolarHBondContact O-N 3.15Å
97S89.8Confident89.5Confident40 Ų40109.7 Ų109.728%0.2850%0.5SS..Hα-helixtrans-69.1-45.2178.7-60.30000111.8F93 L94 F95 R99 R100F93-S97 WeakPolarHBondContact O-CB 3.49Å; F93-S97 PolarHBondContact O-N 3.21Å; F93-S97 PolarHBondContact O-OG 3.47Å; L94-S97 PolarHBondContact O-N 2.81Å; F95-S97 VanDerWaalsContact C-N 3.32Å; F95-S97 PolarHBondContact O-N 2.9Å; S97-R99 VanDerWaalsContact C-N 3.31Å; S97-R99 PolarHBondContact O-N 3.3Å; S97-R100 WeakPolarHBondContact O-CB 3.38Å; S97-R100 PolarHBondContact O-N 3.47Å
98A91.3Very high89.9Confident39 Ų39107 Ų10732%0.32248%0.481SS..Hα-helixtrans-60.3-38.8176.400000112.1L94 F95 R100 L101 V104L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 2.83Å; L94-A98 PolarHBondContact O-N 3.23Å; F95-A98 PolarHBondContact O-N 3.2Å; A98-R100 PolarHBondContact O-N 3.43Å; A98-L101 WeakPolarHBondContact O-CB 3.34Å; A98-L101 PolarHBondContact O-N 2.97Å; A98-L101 VanDerWaalsContact O-N 3.12Å; A98-V104 WeakPolarHBondContact O-CB 3.27Å; A98-V104 VanDerWaalsContact O-CG2 3.3Å; A98-V104 WeakPolarHBondContact O-CG2 3.21Å
99R90.5Very high90.5Very high114 Ų114106.9 Ų106.943%0.4348%0.483SS..THydrogen-bonded Turntrans-63.6-18.6175.1-74.5-169-56.4166.46.4114.3F95 S97 L101 I108F95-R99 HydrophobicContact CD1-CG 4.47Å; F95-R99 HydrophobicContact CE1-CG 4.2Å; F95-R99 HydrophobicContact CZ-CG 4.27Å; F95-R99 VanDerWaalsContact O-CG 3.31Å; F95-R99 WeakPolarHBondContact O-CG 3.27Å; F95-R99 PolarHBondContact O-N 3.48Å; S97-R99 VanDerWaalsContact C-N 3.31Å; S97-R99 PolarHBondContact O-N 3.3Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-I108 HydrophobicContact CG-CD1 3.83Å
100R89.1Confident91.3Very high201 Ų201107.8 Ų107.876%0.75849%0.491SS*.THydrogen-bonded Turntrans-77.9-17.9175.6-64.6176.1-177.7176.9-0.5112.7S97 A98S97-R100 WeakPolarHBondContact O-CB 3.38Å; S97-R100 PolarHBondContact O-N 3.47Å; A98-R100 PolarHBondContact O-N 3.43Å
101L93.8Very high91.8Very high69 Ų69110 Ų11036%0.36150%0.499SS..SBendtrans-69.1132.9-179.8-63.6164.8000110.4A98 R99 W103 V104 K105A98-L101 WeakPolarHBondContact O-CB 3.34Å; A98-L101 PolarHBondContact O-N 2.97Å; A98-L101 VanDerWaalsContact O-N 3.12Å; R99-L101 VanDerWaalsContact C-N 3.32Å; L101-W103 VanDerWaalsContact C-N 3.29Å; L101-W103 HydrophobicContact CB-CD2 4.14Å; L101-W103 HydrophobicContact CB-CE3 4.25Å; L101-W103 HydrophobicContact CB-CH2 4.18Å; L101-W103 HydrophobicContact CB-CZ2 4.06Å; L101-W103 HydrophobicContact CB-CZ3 4.26Å; L101-W103 HydrophobicContact CD1-CH2 3.72Å; L101-W103 HydrophobicContact CD1-CZ2 3.44Å; L101-W103 VanDerWaalsContact CD1-CZ2 3.44Å; L101-W103 HydrophobicContact CD2-CH2 3.92Å; L101-W103 HydrophobicContact CD2-CZ2 4.45Å; L101-W103 HydrophobicContact CD2-CZ3 4.18Å; L101-W103 HydrophobicContact CG-CH2 4.14Å; L101-W103 HydrophobicContact CG-CZ2 4.17Å; L101-W103 PolarHBondContact O-N 3.26Å; L101-V104 HydrophobicContact CB-CB 4.49Å; L101-V104 HydrophobicContact CB-CG2 4.09Å; L101-V104 PolarHBondContact O-N 3.49Å; L101-K105 PolarHBondContact O-N 3.41Å
102P93.4Very high92.1Very high101 Ų101106.3 Ų106.366%0.65649%0.493SS*.Hα-helixtrans-56.4-37.5-172.8-2834.2000114.6K105 R106P102-K105 PolarHBondContact O-N 2.84Å; P102-R106 WeakPolarHBondContact O-CB 3.45Å; P102-R106 PolarHBondContact O-N 3.39Å
103W93.7Very high92.6Very high172 Ų172107.6 Ų107.665%0.65250%0.5SS*.Hα-helixtrans-69.6-36179.369.379.9000112.6L101 K107L101-W103 VanDerWaalsContact C-N 3.29Å; L101-W103 HydrophobicContact CB-CD2 4.14Å; L101-W103 HydrophobicContact CB-CE3 4.25Å; L101-W103 HydrophobicContact CB-CH2 4.18Å; L101-W103 HydrophobicContact CB-CZ2 4.06Å; L101-W103 HydrophobicContact CB-CZ3 4.26Å; L101-W103 HydrophobicContact CD1-CH2 3.72Å; L101-W103 HydrophobicContact CD1-CZ2 3.44Å; L101-W103 VanDerWaalsContact CD1-CZ2 3.44Å; L101-W103 HydrophobicContact CD2-CH2 3.92Å; L101-W103 HydrophobicContact CD2-CZ2 4.45Å; L101-W103 HydrophobicContact CD2-CZ3 4.18Å; L101-W103 HydrophobicContact CG-CH2 4.14Å; L101-W103 HydrophobicContact CG-CZ2 4.17Å; L101-W103 PolarHBondContact O-N 3.26Å; W103-K107 PolarHBondContact O-N 2.82Å
104V93Very high93.1Very high33 Ų33109.3 Ų109.320%0.250%0.503CS..Hα-helixtrans-69.1-47.3176.1-177.40000109A98 L101 R106 K107 I108A98-V104 WeakPolarHBondContact O-CB 3.27Å; A98-V104 VanDerWaalsContact O-CG2 3.3Å; A98-V104 WeakPolarHBondContact O-CG2 3.21Å; L101-V104 HydrophobicContact CB-CB 4.49Å; L101-V104 HydrophobicContact CB-CG2 4.09Å; L101-V104 PolarHBondContact O-N 3.49Å; V104-R106 VanDerWaalsContact C-N 3.28Å; V104-R106 PolarHBondContact O-N 2.84Å; V104-K107 PolarHBondContact O-N 3.34Å; V104-K107 VanDerWaalsContact O-N 3.17Å; V104-I108 HydrophobicContact CG1-CD1 3.74Å; V104-I108 HydrophobicContact CG1-CG1 4.33Å; V104-I108 WeakPolarHBondContact O-CG1 3.42Å; V104-I108 PolarHBondContact O-N 2.93Å
105K92.1Very high93.3Very high144 Ų144108.5 Ų108.563%0.62650%0.502SS*.Hα-helixtrans-56.8-41.8175.6-170.5177.5179.5-178.50111.8L101 P102 I108 S109L101-K105 PolarHBondContact O-N 3.41Å; P102-K105 PolarHBondContact O-N 2.84Å; K105-I108 PolarHBondContact O-N 3.43Å; K105-S109 WeakPolarHBondContact O-CB 3.3Å; K105-S109 PolarHBondContact O-N 3.06Å; K105-S109 PolarHBondContact O-OG 2.96Å
106R94.5Very high93.5Very high184 Ų184111.3 Ų111.369%0.69451%0.509SS*.Hα-helixtrans-65-42.6176-174.8176.9179.1178.70.3112.8P102 V104 S109 I110P102-R106 WeakPolarHBondContact O-CB 3.45Å; P102-R106 PolarHBondContact O-N 3.39Å; V104-R106 VanDerWaalsContact C-N 3.28Å; V104-R106 PolarHBondContact O-N 2.84Å; R106-S109 WeakPolarHBondContact CA-OG 3.06Å; R106-S109 PolarHBondContact O-N 3.21Å; R106-S109 PolarHBondContact O-OG 2.91Å; R106-I110 HydrophobicContact CG-CD1 4.15Å; R106-I110 WeakPolarHBondContact O-CD1 3.49Å; R106-I110 VanDerWaalsContact O-CG1 3.27Å; R106-I110 WeakPolarHBondContact O-CG1 3.36Å; R106-I110 PolarHBondContact O-N 3.35Å; R106-I110 VanDerWaalsContact O-N 3.09Å
107K94.8Very high93.8Very high153 Ų153109.4 Ų109.467%0.66551%0.507SS*.Hα-helixtrans-64.5-44.4175.8-80.7-166.5174.9-174.30111.7W103 V104 I110 Q111W103-K107 PolarHBondContact O-N 2.82Å; V104-K107 PolarHBondContact O-N 3.34Å; V104-K107 VanDerWaalsContact O-N 3.17Å; K107-I110 PolarHBondContact O-N 3.36Å; K107-Q111 PolarHBondContact O-N 2.89Å; K107-Q111 VanDerWaalsContact O-N 3.12Å
108I93.5Very high94.1Very high54 Ų54110.5 Ų110.528%0.27751%0.514SS..Hα-helixtrans-62-44.4176.7-67.3171.7000110.5R99 V104 K105 I110 Q111 L112R99-I108 HydrophobicContact CG-CD1 3.83Å; V104-I108 HydrophobicContact CG1-CD1 3.74Å; V104-I108 HydrophobicContact CG1-CG1 4.33Å; V104-I108 WeakPolarHBondContact O-CG1 3.42Å; V104-I108 PolarHBondContact O-N 2.93Å; K105-I108 PolarHBondContact O-N 3.43Å; I108-I110 PolarHBondContact O-N 3.36Å; I108-Q111 PolarHBondContact O-N 3.34Å; I108-L112 HydrophobicContact CG2-CD1 3.73Å; I108-L112 HydrophobicContact CG2-CG 4.14Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 WeakPolarHBondContact O-CG 3.43Å; I108-L112 PolarHBondContact O-N 3.27Å
109S94.5Very high94.2Very high49 Ų49112.2 Ų112.234%0.34352%0.52SS..Hα-helixtrans-65.5-36.9-179.867.80000112.8K105 R106 L112 N113K105-S109 WeakPolarHBondContact O-CB 3.3Å; K105-S109 PolarHBondContact O-N 3.06Å; K105-S109 PolarHBondContact O-OG 2.96Å; R106-S109 WeakPolarHBondContact CA-OG 3.06Å; R106-S109 PolarHBondContact O-N 3.21Å; R106-S109 PolarHBondContact O-OG 2.91Å; S109-L112 PolarHBondContact O-N 2.86Å; S109-N113 VanDerWaalsContact O-CB 3.3Å; S109-N113 WeakPolarHBondContact O-CB 3.47Å; S109-N113 PolarHBondContact O-N 3.25Å; S109-N113 PolarHBondContact O-ND2 3.23Å
110I96.3Very high94.2Very high70 Ų70111.2 Ų111.236%0.35952%0.521SS..Hα-helixtrans-62.6-45.2173.5-69.2165.6000110.7R106 K107 I108 N113 R114R106-I110 HydrophobicContact CG-CD1 4.15Å; R106-I110 WeakPolarHBondContact O-CD1 3.49Å; R106-I110 VanDerWaalsContact O-CG1 3.27Å; R106-I110 WeakPolarHBondContact O-CG1 3.36Å; R106-I110 PolarHBondContact O-N 3.35Å; R106-I110 VanDerWaalsContact O-N 3.09Å; K107-I110 PolarHBondContact O-N 3.36Å; I108-I110 PolarHBondContact O-N 3.36Å; I110-N113 PolarHBondContact O-N 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.36Å; I110-R114 PolarHBondContact O-N 3.03Å
111Q95.6Very high94.2Very high125 Ų125107 Ų10758%0.58451%0.512SS*.Hα-helixtrans-64.6-46.5177.2-73.8177.9-28.800111.6K107 I108 N113 R114 T115K107-Q111 PolarHBondContact O-N 2.89Å; K107-Q111 VanDerWaalsContact O-N 3.12Å; I108-Q111 PolarHBondContact O-N 3.34Å; Q111-N113 VanDerWaalsContact C-N 3.34Å; Q111-N113 PolarHBondContact O-N 3.18Å; Q111-R114 PolarHBondContact O-N 3.48Å; Q111-T115 PolarHBondContact O-N 3.43Å; Q111-T115 PolarHBondContact O-OG1 2.89Å; Q111-T115 VanDerWaalsContact O-OG1 3.09Å
112L95.3Very high93.9Very high110 Ų110110 Ų11058%0.57652%0.524SS*.Hα-helixtrans-58.8-43.2176-76.4173.2000112.1I108 S109 T115 R116I108-L112 HydrophobicContact CG2-CD1 3.73Å; I108-L112 HydrophobicContact CG2-CG 4.14Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 WeakPolarHBondContact O-CG 3.43Å; I108-L112 PolarHBondContact O-N 3.27Å; S109-L112 PolarHBondContact O-N 2.86Å; L112-T115 PolarHBondContact O-N 2.91Å; L112-R116 WeakPolarHBondContact O-CB 3.46Å; L112-R116 PolarHBondContact O-N 3.29Å
113N96.6Very high93.6Very high91 Ų91111.4 Ų111.449%0.48753%0.526SS..Hα-helixtrans-66.3-40.2178.4-75.6-14.3000111.9S109 I110 Q111 R116 Q117S109-N113 VanDerWaalsContact O-CB 3.3Å; S109-N113 WeakPolarHBondContact O-CB 3.47Å; S109-N113 PolarHBondContact O-N 3.25Å; S109-N113 PolarHBondContact O-ND2 3.23Å; I110-N113 PolarHBondContact O-N 3.3Å; Q111-N113 VanDerWaalsContact C-N 3.34Å; Q111-N113 PolarHBondContact O-N 3.18Å; N113-R116 PolarHBondContact O-N 2.84Å; N113-Q117 WeakPolarHBondContact O-CB 3.49Å; N113-Q117 VanDerWaalsContact O-CG 3.28Å; N113-Q117 WeakPolarHBondContact O-CG 3.25Å; N113-Q117 PolarHBondContact O-N 3.37Å
114R96.1Very high93.2Very high168 Ų168106.6 Ų106.663%0.63451%0.51SS*.Hα-helixtrans-63.4-47174.4-73.7175.3-178.4177.6-0.3111.7I110 Q111 R116 Q117 S118I110-R114 WeakPolarHBondContact O-CG 3.36Å; I110-R114 PolarHBondContact O-N 3.03Å; Q111-R114 PolarHBondContact O-N 3.48Å; R114-R116 VanDerWaalsContact C-N 3.32Å; R114-R116 PolarHBondContact O-N 2.98Å; R114-Q117 PolarHBondContact O-N 3.36Å; R114-S118 PolarHBondContact O-N 3.46Å; R114-S118 PolarHBondContact O-OG 3.2Å
115T96Very high92.6Very high82 Ų82112.1 Ų112.150%0.50353%0.532SS..Hα-helixtrans-61.8-41175.4-580000111.3Q111 L112 Q117 S118 V119Q111-T115 PolarHBondContact O-N 3.43Å; Q111-T115 PolarHBondContact O-OG1 2.89Å; Q111-T115 VanDerWaalsContact O-OG1 3.09Å; L112-T115 PolarHBondContact O-N 2.91Å; T115-Q117 PolarHBondContact O-N 2.88Å; T115-S118 WeakPolarHBondContact CA-OG 3.45Å; T115-S118 PolarHBondContact O-N 3.28Å; T115-S118 PolarHBondContact O-OG 3.22Å; T115-V119 HydrophobicContact CG2-CG2 4.26Å; T115-V119 WeakPolarHBondContact O-CB 3.49Å; T115-V119 WeakPolarHBondContact O-CG2 3.42Å; T115-V119 PolarHBondContact O-N 3.12Å
116R95.3Very high92Very high181 Ų181108.2 Ų108.268%0.68352%0.517SS*.Hα-helixtrans-61.4-45.3176-175.6179.5-176.8131.32.6111.2L112 N113 R114 Q120L112-R116 WeakPolarHBondContact O-CB 3.46Å; L112-R116 PolarHBondContact O-N 3.29Å; N113-R116 PolarHBondContact O-N 2.84Å; R114-R116 VanDerWaalsContact C-N 3.32Å; R114-R116 PolarHBondContact O-N 2.98Å; R116-Q120 WeakPolarHBondContact O-CB 3.31Å; R116-Q120 PolarHBondContact O-N 2.62Å
117Q95.1Very high91.5Very high118 Ų118102.2 Ų102.255%0.55150%0.499SS*.Hα-helixtrans-64-45176.8-75.6173-13.500111.8N113 R114 T115 Q120 I121N113-Q117 WeakPolarHBondContact O-CB 3.49Å; N113-Q117 VanDerWaalsContact O-CG 3.28Å; N113-Q117 WeakPolarHBondContact O-CG 3.25Å; N113-Q117 PolarHBondContact O-N 3.37Å; R114-Q117 PolarHBondContact O-N 3.36Å; T115-Q117 PolarHBondContact O-N 2.88Å; Q117-Q120 PolarHBondContact O-N 3.2Å; Q117-I121 VanDerWaalsContact O-CG1 3.27Å; Q117-I121 WeakPolarHBondContact O-CG1 3.44Å; Q117-I121 PolarHBondContact O-N 3.08Å
118S94.6Very high90.6Very high63 Ų6397.8 Ų97.844%0.44149%0.486SS..Hα-helixtrans-63.7-44.217865.10000111.6R114 T115 Q120 I121 E122R114-S118 PolarHBondContact O-N 3.46Å; R114-S118 PolarHBondContact O-OG 3.2Å; T115-S118 WeakPolarHBondContact CA-OG 3.45Å; T115-S118 PolarHBondContact O-N 3.28Å; T115-S118 PolarHBondContact O-OG 3.22Å; S118-Q120 VanDerWaalsContact C-N 3.34Å; S118-Q120 PolarHBondContact O-N 2.88Å; S118-I121 PolarHBondContact O-N 3.45Å; S118-E122 WeakPolarHBondContact O-CG 3.08Å; S118-E122 PolarHBondContact O-N 3.12Å
119V93.9Very high89.8Confident74 Ų7498 Ų9845%0.44849%0.488SS..Hα-helixtrans-62.4-43.2175.8169.40000110.8T115 E122 L123T115-V119 HydrophobicContact CG2-CG2 4.26Å; T115-V119 WeakPolarHBondContact O-CB 3.49Å; T115-V119 WeakPolarHBondContact O-CG2 3.42Å; T115-V119 PolarHBondContact O-N 3.12Å; V119-E122 PolarHBondContact O-N 2.89Å; V119-L123 HydrophobicContact CG1-CD1 3.65Å; V119-L123 HydrophobicContact CG1-CG 4.2Å; V119-L123 WeakPolarHBondContact O-CB 3.49Å; V119-L123 VanDerWaalsContact O-CG 3.24Å; V119-L123 WeakPolarHBondContact O-CG 3.32Å; V119-L123 PolarHBondContact O-N 2.95Å
120Q90.4Very high88.6Confident93 Ų93102.4 Ų102.444%0.43551%0.505SS..Hα-helixtrans-61-46.8177.1-179.9179.1-21.200111.6R116 Q117 S118 E122 L123 Q124R116-Q120 WeakPolarHBondContact O-CB 3.31Å; R116-Q120 PolarHBondContact O-N 2.62Å; Q117-Q120 PolarHBondContact O-N 3.2Å; S118-Q120 VanDerWaalsContact C-N 3.34Å; S118-Q120 PolarHBondContact O-N 2.88Å; Q120-E122 PolarHBondContact O-N 3.3Å; Q120-L123 PolarHBondContact O-N 3.24Å; Q120-Q124 HydrophobicContact CG-CG 4.22Å; Q120-Q124 VanDerWaalsContact O-CB 3.27Å; Q120-Q124 WeakPolarHBondContact O-CB 3.36Å; Q120-Q124 VanDerWaalsContact O-CG 3.23Å; Q120-Q124 WeakPolarHBondContact O-CG 3.41Å; Q120-Q124 PolarHBondContact O-N 3.13Å
121I89.3Confident87.9Confident112 Ų112105.7 Ų105.757%0.57452%0.523SS*.Hα-helixtrans-61.6-45.3178.6-69.5164000110.8Q117 S118 Q124 K125Q117-I121 VanDerWaalsContact O-CG1 3.27Å; Q117-I121 WeakPolarHBondContact O-CG1 3.44Å; Q117-I121 PolarHBondContact O-N 3.08Å; S118-I121 PolarHBondContact O-N 3.45Å; I121-Q124 PolarHBondContact O-N 3.28Å; I121-K125 WeakPolarHBondContact O-CB 3.42Å; I121-K125 PolarHBondContact O-N 3.27Å
122E88Confident87.5Confident134 Ų134104.8 Ų104.863%0.62652%0.517SS*.Hα-helixtrans-65-40.9179.4-70.9-61.5146.500112.3S118 V119 Q120S118-E122 WeakPolarHBondContact O-CG 3.08Å; S118-E122 PolarHBondContact O-N 3.12Å; V119-E122 PolarHBondContact O-N 2.89Å; Q120-E122 PolarHBondContact O-N 3.3Å
123L87.1Confident87.2Confident130 Ų130105 Ų10568%0.68152%0.518SS*.Hα-helixtrans-69.9-39.1178.5-71175.2000112.4V119 Q120V119-L123 HydrophobicContact CG1-CD1 3.65Å; V119-L123 HydrophobicContact CG1-CG 4.2Å; V119-L123 WeakPolarHBondContact O-CB 3.49Å; V119-L123 VanDerWaalsContact O-CG 3.24Å; V119-L123 WeakPolarHBondContact O-CG 3.32Å; V119-L123 PolarHBondContact O-N 2.95Å; Q120-L123 PolarHBondContact O-N 3.24Å
124Q85Confident87.1Confident70 Ų70109.8 Ų109.833%0.32753%0.53SS..Hα-helixtrans-88.7-4-175-62.9-174.8-38.700113.9Q120 I121 N126 D127Q120-Q124 HydrophobicContact CG-CG 4.22Å; Q120-Q124 VanDerWaalsContact O-CB 3.27Å; Q120-Q124 WeakPolarHBondContact O-CB 3.36Å; Q120-Q124 VanDerWaalsContact O-CG 3.23Å; Q120-Q124 WeakPolarHBondContact O-CG 3.41Å; Q120-Q124 PolarHBondContact O-N 3.13Å; I121-Q124 PolarHBondContact O-N 3.28Å; Q124-N126 PolarHBondContact O-N 2.86Å; Q124-N126 VanDerWaalsContact O-N 3.09Å; Q124-D127 WeakPolarHBondContact CA-OD2 3.18Å; Q124-D127 WeakPolarHBondContact CB-OD2 3.49Å; Q124-D127 WeakPolarHBondContact CG-OD2 3.48Å; Q124-D127 PolarHBondContact O-N 3.25Å; Q124-D127 VanDerWaalsContact O-N 3.14Å
125K81.6Confident87Confident150 Ų150109.5 Ų109.565%0.65254%0.535SS*.THydrogen-bonded Turntrans-55.8-31.3-174.5-175.3178.2175.6-177.70113.7I121I121-K125 WeakPolarHBondContact O-CB 3.42Å; I121-K125 PolarHBondContact O-N 3.27Å
126N78.9Confident86.9Confident61 Ų61113.3 Ų113.333%0.32655%0.551SS.*THydrogen-bonded Turntrans-115.115.4-176.5-60.4-23.2000112.5Q124 F159Q124-N126 PolarHBondContact O-N 2.86Å; Q124-N126 VanDerWaalsContact O-N 3.09Å; N126-F159 WeakPolarHBondContact ND2-CZ 3.48Å
127D82.6Confident86.8Confident58 Ų58107.2 Ų107.231%0.3154%0.536SS..  trans-65.2127.6175.1-72.7-16.2000108.7Q124 D129 F132Q124-D127 WeakPolarHBondContact CA-OD2 3.18Å; Q124-D127 WeakPolarHBondContact CB-OD2 3.49Å; Q124-D127 WeakPolarHBondContact CG-OD2 3.48Å; Q124-D127 PolarHBondContact O-N 3.25Å; Q124-D127 VanDerWaalsContact O-N 3.14Å; D127-D129 VanDerWaalsContact C-N 3.29Å; D127-D129 PolarHBondContact O-N 3.46Å; D127-F132 WeakPolarHBondContact OD2-CZ 3.44Å
128P76.9Confident86.8Confident60 Ų60109.7 Ų109.739%0.3955%0.552SS.*SBendtrans-67.6-33.7-176.423.3-28.5000111.9Y153 A156P128-Y153 HydrophobicContact CG-CD1 3.84Å; P128-Y153 HydrophobicContact CG-CE1 4.31Å; P128-A156 HydrophobicContact CB-CB 3.67Å; P128-A156 HydrophobicContact CG-CB 3.59Å
129D75.8Confident86.8Confident59 Ų59113.7 Ų113.732%0.31657%0.568SS.*  trans-135.1139.9-175.8-55.2-51.1000109.6D127 D131 R152D127-D129 VanDerWaalsContact C-N 3.29Å; D127-D129 PolarHBondContact O-N 3.46Å; D129-D131 PolarHBondContact O-N 3.07Å; D129-R152 IonicContact OD2-CZ 3.2Å; D129-R152 IonicContact OD2-NE 2.78Å; D129-R152 PolarHBondContact OD2-NE 3.39Å; D129-R152 IonicContact OD2-NH2 2.82Å; D129-R152 PolarHBondContact OD2-NH2 3.29Å
130M70.7Confident86.9Confident142 Ų142113.9 Ų113.970%0.759%0.586SS**SBendtrans-75.5-14.1169.4-65.3-66.6-68.500112.1F132M130-F132 WeakPolarHBondContact O-CD2 3.16Å; M130-F132 PolarHBondContact O-N 3.19Å
131D81.9Confident87Confident138 Ų138113.2 Ų113.274%0.73858%0.583SS**  trans-9391.6-176.5-71.2-26.4000111.1D129D129-D131 PolarHBondContact O-N 3.07Å
132F87Confident87.4Confident106 Ų106111 Ų11147%0.46558%0.575SS.*  trans-76.2139.8173.9-66.9-93.2000111.5D127 M130 R134D127-F132 WeakPolarHBondContact OD2-CZ 3.44Å; M130-F132 WeakPolarHBondContact O-CD2 3.16Å; M130-F132 PolarHBondContact O-N 3.19Å; F132-R134 WeakPolarHBondContact O-CG 3.45Å; F132-R134 PolarHBondContact O-N 3.43Å; F132-R134 VanDerWaalsContact O-N 3.09Å
133L89.6Confident87.8Confident114 Ų114111.5 Ų111.560%0.59758%0.579SS**  trans-64.5107.6165.4-68.7172.3000109.4M141L133-M141 HydrophobicContact CD1-CE 4.46Å
134R92.6Very high88.3Confident193 Ų193111.5 Ų111.573%0.72858%0.576SS**  trans-100.2-18.5-178.6-65.9173.9-166.6173.66113.6F132F132-R134 WeakPolarHBondContact O-CG 3.45Å; F132-R134 PolarHBondContact O-N 3.43Å; F132-R134 VanDerWaalsContact O-N 3.09Å
135H94.1Very high88.8Confident161 Ų161113 Ų11375%0.74558%0.582SS**SBendtrans-133.5152.1-177.9-56.3-57.9000109.2
136L94.5Very high89.4Confident162 Ų162110.3 Ų110.385%0.84857%0.574SS**  trans-64.7133.5171.5-169.869.8000108.4
137P93.3Very high90.2Very high54 Ų54113.8 Ų113.835%0.35159%0.589SS.*  trans-58.8143.7175.2-22.533.1000111.6L139 M141P137-L139 WeakPolarHBondContact CB-O 3.47Å; P137-L139 PolarHBondContact O-N 3.47Å; P137-M141 HydrophobicContact CB-CE 4.5Å; P137-M141 HydrophobicContact CG-CE 3.61Å; P137-M141 HydrophobicContact CG-SD 4.39Å
138D94.6Very high90.8Very high169 Ų169114.6 Ų114.690%0.90460%0.599SS**SBendtrans-64.2-27.2179-63-42.6000112.6
139L95.2Very high91.5Very high147 Ų147113.1 Ų113.177%0.7759%0.589SS**SBendtrans-120.7139.6176.3-63.6173000109.5P137 M141P137-L139 WeakPolarHBondContact CB-O 3.47Å; P137-L139 PolarHBondContact O-N 3.47Å; L139-M141 PolarHBondContact O-N 2.99Å
140G94.9Very high92.3Very high79 Ų79112.9 Ų112.981%0.81460%0.595SS**PPolyproline II helixtrans-61.1132175.800000111.4
141M94.4Very high93.3Very high78 Ų78108.8 Ų108.838%0.38458%0.58SS.*PPolyproline II helixtrans-69.4148.3173.6-68.8169.5172.600110.8L133 P137 L139 E145 I146L133-M141 HydrophobicContact CD1-CE 4.46Å; P137-M141 HydrophobicContact CB-CE 4.5Å; P137-M141 HydrophobicContact CG-CE 3.61Å; P137-M141 HydrophobicContact CG-SD 4.39Å; L139-M141 PolarHBondContact O-N 2.99Å; M141-E145 VanDerWaalsContact CA-OE2 3.24Å; M141-E145 WeakPolarHBondContact CA-OE2 3Å; M141-E145 HydrophobicContact CB-CB 4.16Å; M141-I146 HydrophobicContact CB-CD1 4.23Å; M141-I146 HydrophobicContact CB-CG1 3.79Å
142T96.9Very high93.6Very high66 Ų66107 Ų10741%0.40556%0.563SS.*PPolyproline II helixtrans-71.4163172.385.20000111.2E144 E145 I146T142-E144 VanDerWaalsContact CB-OE2 3.29Å; T142-E144 WeakPolarHBondContact CB-OE2 3.46Å; T142-E144 PolarHBondContact O-N 3.36Å; T142-E144 PolarHBondContact OG1-N 3.36Å; T142-E144 PolarHBondContact OG1-OE2 2.74Å; T142-E145 PolarHBondContact N-OE2 2.67Å; T142-E145 PolarHBondContact O-N 3.33Å; T142-E145 PolarHBondContact OG1-N 3.35Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 3.1Å
143M96.5Very high93.7Very high145 Ų145106.8 Ų106.871%0.71456%0.56SS**Hα-helixtrans-59.5-37.4177.2-70.6-173.1177.900111.5I146 Q147M143-I146 PolarHBondContact O-N 3Å; M143-Q147 WeakPolarHBondContact O-CB 3.33Å; M143-Q147 VanDerWaalsContact O-CG 3.25Å; M143-Q147 WeakPolarHBondContact O-CG 3.39Å; M143-Q147 PolarHBondContact O-N 2.96Å
144E97.2Very high93.6Very high130 Ų130109 Ų10961%0.60757%0.565SS**Hα-helixtrans-66.7-41.3178.3-58.573.3-159.200111.6T142 Q147 S148T142-E144 VanDerWaalsContact CB-OE2 3.29Å; T142-E144 WeakPolarHBondContact CB-OE2 3.46Å; T142-E144 PolarHBondContact O-N 3.36Å; T142-E144 PolarHBondContact OG1-N 3.36Å; T142-E144 PolarHBondContact OG1-OE2 2.74Å; E144-Q147 PolarHBondContact O-N 3.33Å; E144-S148 WeakPolarHBondContact O-CB 3.13Å; E144-S148 PolarHBondContact O-N 3.37Å
145E95.3Very high93.3Very high100 Ų100105.2 Ų105.247%0.46756%0.559SS.*Hα-helixtrans-63.8-42.3175.7-70.1176.2148.800111.6M141 T142 T149M141-E145 VanDerWaalsContact CA-OE2 3.24Å; M141-E145 WeakPolarHBondContact CA-OE2 3Å; M141-E145 HydrophobicContact CB-CB 4.16Å; T142-E145 PolarHBondContact N-OE2 2.67Å; T142-E145 PolarHBondContact O-N 3.33Å; T142-E145 PolarHBondContact OG1-N 3.35Å; E145-T149 WeakPolarHBondContact O-CB 3.35Å; E145-T149 PolarHBondContact O-N 3.48Å; E145-T149 PolarHBondContact O-OG1 3.21Å
146I95.3Very high92.9Very high94 Ų9498.7 Ų98.748%0.48253%0.533SS..Hα-helixtrans-64.3-47.7176.6-66.4166000110.3M141 T142 M143 T149 A150M141-I146 HydrophobicContact CB-CD1 4.23Å; M141-I146 HydrophobicContact CB-CG1 3.79Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 3.1Å; M143-I146 PolarHBondContact O-N 3Å; I146-T149 PolarHBondContact O-N 2.95Å; I146-A150 WeakPolarHBondContact O-CB 3.27Å; I146-A150 PolarHBondContact O-N 2.86Å
147Q96Very high92.1Very high134 Ų13493.3 Ų93.363%0.62652%0.516SS*.Hα-helixtrans-64.1-41.6178.8-75.2177.1-4.900112.2M143 E144 A150 S151M143-Q147 WeakPolarHBondContact O-CB 3.33Å; M143-Q147 VanDerWaalsContact O-CG 3.25Å; M143-Q147 WeakPolarHBondContact O-CG 3.39Å; M143-Q147 PolarHBondContact O-N 2.96Å; E144-Q147 PolarHBondContact O-N 3.33Å; Q147-A150 PolarHBondContact O-N 3.22Å; Q147-S151 WeakPolarHBondContact O-CB 3.49Å; Q147-S151 PolarHBondContact O-N 3Å
148S94.1Very high90.8Very high76 Ų7694.9 Ų94.953%0.53153%0.529SS..Hα-helixtrans-60.4-45.6175.1175.40000111.5E144 S151 R152E144-S148 WeakPolarHBondContact O-CB 3.13Å; E144-S148 PolarHBondContact O-N 3.37Å; S148-S151 PolarHBondContact O-N 3.27Å; S148-R152 PolarHBondContact O-N 3.31Å
149T91.7Very high89.8Confident28 Ų2892.9 Ų92.917%0.17251%0.512CS..Hα-helixtrans-63.4-44.5176.3-580000111.5E145 I146 S151 R152 Y153E145-T149 WeakPolarHBondContact O-CB 3.35Å; E145-T149 PolarHBondContact O-N 3.48Å; E145-T149 PolarHBondContact O-OG1 3.21Å; I146-T149 PolarHBondContact O-N 2.95Å; T149-S151 PolarHBondContact O-N 2.87Å; T149-R152 PolarHBondContact O-N 2.8Å; T149-Y153 HydrophobicContact CG2-CD2 4.26Å; T149-Y153 HydrophobicContact CG2-CE1 4.2Å; T149-Y153 HydrophobicContact CG2-CE2 3.59Å; T149-Y153 PolarHBondContact O-N 3.27Å; T149-Y153 VanDerWaalsContact O-N 3.09Å
150A91.9Very high88.8Confident54 Ų5488.9 Ų88.945%0.44649%0.492SS..Hα-helixtrans-62.9-39.6176.100000112.4I146 Q147 Y153 K154I146-A150 WeakPolarHBondContact O-CB 3.27Å; I146-A150 PolarHBondContact O-N 2.86Å; Q147-A150 PolarHBondContact O-N 3.22Å; A150-Y153 PolarHBondContact O-N 2.82Å; A150-K154 WeakPolarHBondContact O-CB 3.12Å; A150-K154 PolarHBondContact O-N 3.41Å
151S91.7Very high88Confident56 Ų5690.2 Ų90.239%0.39248%0.475SS..Hα-helixtrans-62.3-45.5174.8-1640000111.1Q147 S148 T149 Y153 K154 D155Q147-S151 WeakPolarHBondContact O-CB 3.49Å; Q147-S151 PolarHBondContact O-N 3Å; S148-S151 PolarHBondContact O-N 3.27Å; T149-S151 PolarHBondContact O-N 2.87Å; S151-Y153 VanDerWaalsContact C-N 3.29Å; S151-Y153 PolarHBondContact O-N 3.46Å; S151-K154 WeakPolarHBondContact O-CB 3.29Å; S151-K154 PolarHBondContact O-N 2.83Å; S151-K154 VanDerWaalsContact O-N 3.15Å; S151-D155 WeakPolarHBondContact O-CB 3.36Å; S151-D155 PolarHBondContact O-N 2.79Å; S151-D155 PolarHBondContact OG-OD2 2.84Å
152R88.8Confident87.2Confident101 Ų10190.2 Ų90.238%0.38149%0.487SS..Hα-helixtrans-56.6-43.5176.5-171.517477.8-118.96111.9D129 S148 T149 D155 A156D129-R152 IonicContact OD2-CZ 3.2Å; D129-R152 IonicContact OD2-NE 2.78Å; D129-R152 PolarHBondContact OD2-NE 3.39Å; D129-R152 IonicContact OD2-NH2 2.82Å; D129-R152 PolarHBondContact OD2-NH2 3.29Å; S148-R152 PolarHBondContact O-N 3.31Å; T149-R152 PolarHBondContact O-N 2.8Å; R152-D155 PolarHBondContact O-N 3.22Å; R152-A156 PolarHBondContact O-N 2.7Å
153Y89.6Confident86.3Confident101 Ų10192.2 Ų92.240%0.39650%0.496SS..Hα-helixtrans-69.5-37.7177.7-62.8-17.7000113P128 T149 A150 S151 D155 A156P128-Y153 HydrophobicContact CG-CD1 3.84Å; P128-Y153 HydrophobicContact CG-CE1 4.31Å; T149-Y153 HydrophobicContact CG2-CD2 4.26Å; T149-Y153 HydrophobicContact CG2-CE1 4.2Å; T149-Y153 HydrophobicContact CG2-CE2 3.59Å; T149-Y153 PolarHBondContact O-N 3.27Å; T149-Y153 VanDerWaalsContact O-N 3.09Å; A150-Y153 PolarHBondContact O-N 2.82Å; S151-Y153 VanDerWaalsContact C-N 3.29Å; S151-Y153 PolarHBondContact O-N 3.46Å; Y153-D155 VanDerWaalsContact C-N 3.34Å; Y153-A156 WeakPolarHBondContact O-CB 3.1Å; Y153-A156 PolarHBondContact O-N 3.45Å
154K87.9Confident85.4Confident162 Ų16288.2 Ų88.270%0.70449%0.492SS*.Hα-helixtrans-60.6-45.4173.3178.5-170.1168.3-167.80111A150 S151 A156 G157A150-K154 WeakPolarHBondContact O-CB 3.12Å; A150-K154 PolarHBondContact O-N 3.41Å; S151-K154 WeakPolarHBondContact O-CB 3.29Å; S151-K154 PolarHBondContact O-N 2.83Å; S151-K154 VanDerWaalsContact O-N 3.15Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 3.47Å; K154-G157 PolarHBondContact O-N 3.41Å; K154-G157 VanDerWaalsContact O-N 3.14Å
155D85.7Confident84.5Confident113 Ų11391.7 Ų91.760%0.60450%0.499SS*.Hα-helixtrans-72.1-20.1-176.3-62.8-27000112.9S151 R152 Y153 G157S151-D155 WeakPolarHBondContact O-CB 3.36Å; S151-D155 PolarHBondContact O-N 2.79Å; S151-D155 PolarHBondContact OG-OD2 2.84Å; R152-D155 PolarHBondContact O-N 3.22Å; Y153-D155 VanDerWaalsContact C-N 3.34Å; D155-G157 PolarHBondContact O-N 2.84Å
156A84.7Confident83.8Confident24 Ų2489.6 Ų89.620%0.19849%0.491CS..Hα-helixtrans-65.2-24.8170.700000112.8P128 R152 Y153 K154 S158P128-A156 HydrophobicContact CB-CB 3.67Å; P128-A156 HydrophobicContact CG-CB 3.59Å; R152-A156 PolarHBondContact O-N 2.7Å; Y153-A156 WeakPolarHBondContact O-CB 3.1Å; Y153-A156 PolarHBondContact O-N 3.45Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 3.47Å; A156-S158 PolarHBondContact O-N 3.26Å
157G79Confident83.3Confident48 Ų4891.2 Ų91.250%0.49551%0.51SS..  trans-68.492.7173.600000111.2K154 D155 F159K154-G157 PolarHBondContact O-N 3.41Å; K154-G157 VanDerWaalsContact O-N 3.14Å; D155-G157 PolarHBondContact O-N 2.84Å; G157-F159 PolarHBondContact O-N 2.87Å
158S66.1Low82.8Confident87 Ų8786.5 Ų86.561%0.60850%0.498SS*.  trans-74.89-177.972.20000114.9A156A156-S158 PolarHBondContact O-N 3.26Å
159F72.7Confident82.4Confident127 Ų12786.6 Ų86.656%0.55750%0.503SS*.  trans-96.8116.7-167.2-60.9-76.7000112.2N126 G157 F161 I166N126-F159 WeakPolarHBondContact ND2-CZ 3.48Å; G157-F159 PolarHBondContact O-N 2.87Å; F159-F161 PolarHBondContact O-N 3.47Å; F159-I166 HydrophobicContact CB-CD1 3.52Å; F159-I166 HydrophobicContact CB-CG1 4.38Å; F159-I166 HydrophobicContact CD1-CD1 4.49Å; F159-I166 HydrophobicContact CG-CD1 4.23Å
160D73.5Confident82.2Confident63 Ų6388.5 Ų88.534%0.33752%0.515SS..  trans-81.380.8174.2-174.9-4.3000110.6A162 N163D160-A162 VanDerWaalsContact C-N 3.25Å; D160-A162 PolarHBondContact OD1-N 3.41Å; D160-N163 PolarHBondContact OD1-N 3.23Å; D160-N163 PolarHBondContact OD1-ND2 3.32Å; D160-N163 WeakPolarHBondContact OD2-CB 3.5Å; D160-N163 PolarHBondContact OD2-ND2 3.41Å
161F79.7Confident82Confident108 Ų10896.3 Ų96.347%0.47453%0.534SS..THydrogen-bonded Turntrans-70.9-23.3174.959.6-97000112.1F159 N163 G164 I166 V170 A173F159-F161 PolarHBondContact O-N 3.47Å; F161-N163 VanDerWaalsContact C-N 3.31Å; F161-N163 PolarHBondContact O-N 2.88Å; F161-G164 PolarHBondContact O-N 2.88Å; F161-G164 VanDerWaalsContact O-N 3.11Å; F161-I166 HydrophobicContact CB-CD1 3.76Å; F161-V170 HydrophobicContact CB-CB 4.32Å; F161-V170 HydrophobicContact CB-CG2 4.15Å; F161-V170 HydrophobicContact CD2-CG1 4.14Å; F161-V170 HydrophobicContact CD2-CG2 4.43Å; F161-V170 HydrophobicContact CG-CG2 4.16Å; F161-A173 HydrophobicContact CD2-CB 3.72Å; F161-A173 HydrophobicContact CE2-CB 4.02Å
162A76.1Confident81.8Confident77 Ų7798.5 Ų98.564%0.63654%0.541SS*.THydrogen-bonded Turntrans-63.9-36.217800000111.9D160 G164D160-A162 VanDerWaalsContact C-N 3.25Å; D160-A162 PolarHBondContact OD1-N 3.41Å; A162-G164 VanDerWaalsContact C-N 3.29Å; A162-G164 PolarHBondContact O-N 2.95Å
163N79.4Confident81.6Confident109 Ų10995.9 Ų95.958%0.58354%0.541SS*.THydrogen-bonded Turntrans-86.512.5175-74.3-46.6000114.4D160 F161 R165D160-N163 PolarHBondContact OD1-N 3.23Å; D160-N163 PolarHBondContact OD1-ND2 3.32Å; D160-N163 WeakPolarHBondContact OD2-CB 3.5Å; D160-N163 PolarHBondContact OD2-ND2 3.41Å; F161-N163 VanDerWaalsContact C-N 3.31Å; F161-N163 PolarHBondContact O-N 2.88Å; N163-R165 VanDerWaalsContact C-N 3.26Å; N163-R165 HydrophobicContact CB-CG 4.42Å; N163-R165 PolarHBondContact O-N 3.42Å
164G77.1Confident81.6Confident61 Ų6193.2 Ų93.263%0.62954%0.538SS*.THydrogen-bonded Turntrans66.521.4171.200000115.1F161 A162 I166F161-G164 PolarHBondContact O-N 2.88Å; F161-G164 VanDerWaalsContact O-N 3.11Å; A162-G164 VanDerWaalsContact C-N 3.29Å; A162-G164 PolarHBondContact O-N 2.95Å; G164-I166 PolarHBondContact O-N 3.39Å
165R78Confident81.8Confident202 Ų20291.5 Ų91.576%0.76254%0.536SS*.  trans-81.54.5-176.1-64-176179.1172.52114.1N163N163-R165 VanDerWaalsContact C-N 3.26Å; N163-R165 HydrophobicContact CB-CG 4.42Å; N163-R165 PolarHBondContact O-N 3.42Å
166I81.8Confident82.2Confident57 Ų5793.7 Ų93.729%0.29254%0.543SS..SBendtrans-118.6126-178.1-49.3173.6000108F159 F161 G164 G168 A169F159-I166 HydrophobicContact CB-CD1 3.52Å; F159-I166 HydrophobicContact CB-CG1 4.38Å; F159-I166 HydrophobicContact CD1-CD1 4.49Å; F159-I166 HydrophobicContact CG-CD1 4.23Å; F161-I166 HydrophobicContact CB-CD1 3.76Å; G164-I166 PolarHBondContact O-N 3.39Å; I166-G168 PolarHBondContact O-N 2.87Å; I166-A169 HydrophobicContact CG2-CB 3.74Å
167S83.8Confident82.7Confident127 Ų12795.6 Ų95.689%0.88855%0.549SS*.SBendtrans-75.1120.3172.6-171.40000109.5
168G84.7Confident83.3Confident36 Ų3696 Ų9637%0.37155%0.548SS..SBendtrans65.8-136.6-174.900000111.6I166 V170I166-G168 PolarHBondContact O-N 2.87Å; G168-V170 PolarHBondContact O-N 3.32Å
169A86.2Confident84.8Confident78 Ų7898.7 Ų98.765%0.64555%0.549SS*.SBendtrans61-58.9-176.400000115.5I166I166-A169 HydrophobicContact CG2-CB 3.74Å
170V87.4Confident85.9Confident67 Ų6796.8 Ų96.841%0.40654%0.544SS..  trans-120.9110.1177.5-178.30000108.8F161 G168 A173F161-V170 HydrophobicContact CB-CB 4.32Å; F161-V170 HydrophobicContact CB-CG2 4.15Å; F161-V170 HydrophobicContact CD2-CG1 4.14Å; F161-V170 HydrophobicContact CD2-CG2 4.43Å; F161-V170 HydrophobicContact CG-CG2 4.16Å; G168-V170 PolarHBondContact O-N 3.32Å; V170-A173 HydrophobicContact CG1-CB 4.18Å
171Y88.5Confident87Confident219 Ų21997.9 Ų97.986%0.85955%0.55SS**SBendtrans-81.9-26-175.7-64.1-88.6000113.5
172N86.9Confident87.8Confident101 Ų10195.7 Ų95.754%0.5455%0.551SS.*  trans-146116.3176.5-170.8-27.1000108.9S174 L177N172-S174 WeakPolarHBondContact OD1-CB 3.29Å; N172-S174 PolarHBondContact OD1-N 2.89Å; N172-L177 HydrophobicContact CB-CD2 4.05Å
173A85.6Confident88.8Confident46 Ų4697 Ų9738%0.3855%0.545SS..  trans-101.323.4-178.100000112.9F161 V170 D175F161-A173 HydrophobicContact CD2-CB 3.72Å; F161-A173 HydrophobicContact CE2-CB 4.02Å; V170-A173 HydrophobicContact CG1-CB 4.18Å; A173-D175 PolarHBondContact O-N 2.91Å
174S89Confident89.6Confident46 Ų4695.2 Ų95.232%0.32253%0.534SS..  trans-69.6123.3178.8173.40000111.9N172 E176 L177 A178N172-S174 WeakPolarHBondContact OD1-CB 3.29Å; N172-S174 PolarHBondContact OD1-N 2.89Å; S174-E176 PolarHBondContact O-N 2.89Å; S174-E176 PolarHBondContact OG-N 3.49Å; S174-L177 PolarHBondContact O-N 3.08Å; S174-L177 PolarHBondContact OG-N 2.87Å; S174-A178 PolarHBondContact O-N 3.28Å
175D90.9Very high90.5Very high126 Ų12696.9 Ų96.967%0.67453%0.531SS*.Hα-helixtrans-59.8-33.3173.4-73.6-21.6000112.6A173 A178 K179A173-D175 PolarHBondContact O-N 2.91Å; D175-A178 PolarHBondContact O-N 3.42Å; D175-K179 VanDerWaalsContact O-CG 3.28Å; D175-K179 WeakPolarHBondContact O-CG 3.37Å; D175-K179 PolarHBondContact O-N 3.18Å
176E95.3Very high91.4Very high158 Ų15894.3 Ų94.374%0.73853%0.528SS*.Hα-helixtrans-65.6-45.5176.1-175.3-177.7-178.700110.8S174 A178 K179 L180S174-E176 PolarHBondContact O-N 2.89Å; S174-E176 PolarHBondContact OG-N 3.49Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 3Å; E176-K179 PolarHBondContact O-N 3.16Å; E176-L180 PolarHBondContact O-N 3.25Å
177L94.1Very high92.2Very high64 Ų6498.1 Ų98.134%0.33555%0.546SS..Hα-helixtrans-66.9-38178-163.477.5000111.3N172 S174 L180 N181N172-L177 HydrophobicContact CB-CD2 4.05Å; S174-L177 PolarHBondContact O-N 3.08Å; S174-L177 PolarHBondContact OG-N 2.87Å; L177-L180 PolarHBondContact O-N 3.36Å; L177-N181 WeakPolarHBondContact O-CB 3.44Å; L177-N181 VanDerWaalsContact O-CG 3.28Å; L177-N181 PolarHBondContact O-N 3.08Å; L177-N181 PolarHBondContact O-ND2 3.2Å
178A92.4Very high92.8Very high58 Ų5895.7 Ų95.748%0.47952%0.52SS..Hα-helixtrans-61.2-44.6174.700000111.7S174 D175 E176 N181 A182S174-A178 PolarHBondContact O-N 3.28Å; D175-A178 PolarHBondContact O-N 3.42Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 3Å; A178-N181 PolarHBondContact O-N 2.96Å; A178-A182 PolarHBondContact O-N 3.2Å
179K96.8Very high93.3Very high143 Ų14397.7 Ų97.762%0.62253%0.527SS*.Hα-helixtrans-62.3-45175.4-73.8171.3-173.7175.60112D175 E176 A182 Q183D175-K179 VanDerWaalsContact O-CG 3.28Å; D175-K179 WeakPolarHBondContact O-CG 3.37Å; D175-K179 PolarHBondContact O-N 3.18Å; E176-K179 PolarHBondContact O-N 3.16Å; K179-A182 PolarHBondContact O-N 3.47Å; K179-Q183 WeakPolarHBondContact O-CG 3.48Å; K179-Q183 PolarHBondContact O-N 3.34Å; K179-Q183 VanDerWaalsContact O-N 3.09Å
180L97.3Very high93.8Very high87 Ų87104.6 Ų104.646%0.45554%0.537SS..Hα-helixtrans-59.5-48.1176.3178.963.4000111.2E176 L177 A182 Q183 M184E176-L180 PolarHBondContact O-N 3.25Å; L177-L180 PolarHBondContact O-N 3.36Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 2.9Å; L180-Q183 PolarHBondContact O-N 2.86Å; L180-M184 HydrophobicContact CD1-CG 4.38Å; L180-M184 WeakPolarHBondContact O-CG 3.24Å; L180-M184 PolarHBondContact O-N 3.25Å
181N95.5Very high94.2Very high86 Ų86102.8 Ų102.846%0.4653%0.529SS..Hα-helixtrans-62.6-37.4179.3-74.3-25.1000112.5L177 A178 M184 T185L177-N181 WeakPolarHBondContact O-CB 3.44Å; L177-N181 VanDerWaalsContact O-CG 3.28Å; L177-N181 PolarHBondContact O-N 3.08Å; L177-N181 PolarHBondContact O-ND2 3.2Å; A178-N181 PolarHBondContact O-N 2.96Å; N181-M184 PolarHBondContact O-N 3.47Å; N181-T185 WeakPolarHBondContact O-CB 3.34Å; N181-T185 PolarHBondContact O-N 3.42Å; N181-T185 PolarHBondContact O-OG1 2.84Å
182A96.6Very high94.5Very high61 Ų6195.1 Ų95.150%0.50450%0.503SS..Hα-helixtrans-63-45.9175.200000111.6A178 K179 L180 M184 T185 E186A178-A182 PolarHBondContact O-N 3.2Å; K179-A182 PolarHBondContact O-N 3.47Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 2.9Å; A182-M184 PolarHBondContact O-N 3.38Å; A182-T185 PolarHBondContact O-N 2.87Å; A182-E186 PolarHBondContact O-N 3.46Å
183Q97.7Very high94.8Very high105 Ų10593.3 Ų93.349%0.49150%0.497SS..Hα-helixtrans-61.8-43.5175.9-70.6175.4-17.900112.1K179 L180 T185 E186 M187K179-Q183 WeakPolarHBondContact O-CG 3.48Å; K179-Q183 PolarHBondContact O-N 3.34Å; K179-Q183 VanDerWaalsContact O-N 3.09Å; L180-Q183 PolarHBondContact O-N 2.86Å; Q183-T185 VanDerWaalsContact C-N 3.34Å; Q183-T185 PolarHBondContact O-N 3.47Å; Q183-E186 PolarHBondContact O-N 3.46Å; Q183-M187 WeakPolarHBondContact O-CG 3.25Å; Q183-M187 PolarHBondContact O-N 2.92Å
184M96.7Very high95.3Very high72 Ų7297.9 Ų97.936%0.35551%0.514SS..Hα-helixtrans-63.6-41.3176.1-66.3-57.4-66.800111.6L180 N181 A182 E186 M187 F188L180-M184 HydrophobicContact CD1-CG 4.38Å; L180-M184 WeakPolarHBondContact O-CG 3.24Å; L180-M184 PolarHBondContact O-N 3.25Å; N181-M184 PolarHBondContact O-N 3.47Å; A182-M184 PolarHBondContact O-N 3.38Å; M184-E186 VanDerWaalsContact C-N 3.33Å; M184-E186 PolarHBondContact O-N 3.36Å; M184-M187 PolarHBondContact O-N 3.29Å; M184-F188 HydrophobicContact CE-CD2 3.99Å; M184-F188 HydrophobicContact CE-CE2 3.53Å; M184-F188 WeakPolarHBondContact O-CD2 3.31Å; M184-F188 PolarHBondContact O-N 2.93Å
185T95.6Very high95.6Very high95 Ų9599.8 Ų99.858%0.58352%0.518SS*.Hα-helixtrans-62.1-42.4176.6-57.50000111N181 A182 Q183 F188 C189N181-T185 WeakPolarHBondContact O-CB 3.34Å; N181-T185 PolarHBondContact O-N 3.42Å; N181-T185 PolarHBondContact O-OG1 2.84Å; A182-T185 PolarHBondContact O-N 2.87Å; Q183-T185 VanDerWaalsContact C-N 3.34Å; Q183-T185 PolarHBondContact O-N 3.47Å; T185-F188 PolarHBondContact O-N 2.85Å; T185-C189 VanDerWaalsContact O-CA 3.3Å; T185-C189 WeakPolarHBondContact O-CA 3.42Å; T185-C189 VanDerWaalsContact O-CB 3.24Å; T185-C189 WeakPolarHBondContact O-CB 3.48Å; T185-C189 PolarHBondContact O-N 3.26Å
186E97.4Very high95.8Very high148 Ų14896.6 Ų96.669%0.69250%0.504SS*.Hα-helixtrans-60.5-47.6175.1-175.4-178.8-178.300111.6A182 Q183 M184 F188 C189A182-E186 PolarHBondContact O-N 3.46Å; Q183-E186 PolarHBondContact O-N 3.46Å; M184-E186 VanDerWaalsContact C-N 3.33Å; M184-E186 PolarHBondContact O-N 3.36Å; E186-F188 VanDerWaalsContact C-N 3.31Å; E186-F188 PolarHBondContact O-N 2.85Å; E186-C189 PolarHBondContact O-SG 3.37Å
187M96.9Very high95.9Very high137 Ų13795 Ų9568%0.67550%0.5SS*.Hα-helixtrans-63.2-34.6-179.9-70.4-179.6-165.200113.4Q183 M184Q183-M187 WeakPolarHBondContact O-CG 3.25Å; Q183-M187 PolarHBondContact O-N 2.92Å; M184-M187 PolarHBondContact O-N 3.29Å
188F96.7Very high96.1Very high76 Ų7696.9 Ų96.933%0.33351%0.51SS..Hα-helixtrans-111.712.5-173.4-67.3-81.1000114M184 T185 E186 W190 A191 V202 M205M184-F188 HydrophobicContact CE-CD2 3.99Å; M184-F188 HydrophobicContact CE-CE2 3.53Å; M184-F188 WeakPolarHBondContact O-CD2 3.31Å; M184-F188 PolarHBondContact O-N 2.93Å; T185-F188 PolarHBondContact O-N 2.85Å; E186-F188 VanDerWaalsContact C-N 3.31Å; E186-F188 PolarHBondContact O-N 2.85Å; F188-W190 PolarHBondContact O-N 2.95Å; F188-A191 HydrophobicContact CB-CB 4.27Å; F188-A191 HydrophobicContact CD1-CB 4.18Å; F188-A191 WeakPolarHBondContact O-CB 3.26Å; F188-A191 PolarHBondContact O-N 3.36Å; F188-V202 HydrophobicContact CD1-CG2 3.67Å; F188-V202 HydrophobicContact CE1-CG2 4.03Å; F188-M205 HydrophobicContact CD1-CE 3.91Å; F188-M205 HydrophobicContact CD2-CE 4.4Å; F188-M205 HydrophobicContact CE1-CE 3.42Å; F188-M205 VanDerWaalsContact CE1-CE 3.42Å; F188-M205 HydrophobicContact CE2-CE 3.99Å; F188-M205 HydrophobicContact CE2-SD 4.42Å; F188-M205 HydrophobicContact CG-CE 4.37Å; F188-M205 HydrophobicContact CZ-CE 3.47Å; F188-M205 VanDerWaalsContact CZ-CE 3.47Å; F188-M205 HydrophobicContact CZ-SD 4.09Å
189C96.4Very high96.3Very high78 Ų7896.9 Ų96.953%0.52750%0.499SS..THydrogen-bonded Turntrans-57.4-27.4-174.158.10000114.5T185 E186T185-C189 VanDerWaalsContact O-CA 3.3Å; T185-C189 WeakPolarHBondContact O-CA 3.42Å; T185-C189 VanDerWaalsContact O-CB 3.24Å; T185-C189 WeakPolarHBondContact O-CB 3.48Å; T185-C189 PolarHBondContact O-N 3.26Å; E186-C189 PolarHBondContact O-SG 3.37Å
190W96.5Very high96.3Very high223 Ų22393.5 Ų93.585%0.84549%0.491SS*.THydrogen-bonded Turntrans-103.22.3179-59.9111.8000114F188 F199F188-W190 PolarHBondContact O-N 2.95Å; W190-F199 WeakPolarHBondContact O-CZ 3.27Å
191A95.5Very high96.2Very high29 Ų2991.1 Ų91.124%0.2449%0.488CS..  trans-74.9135.2-17800000111F188 F199 V202F188-A191 HydrophobicContact CB-CB 4.27Å; F188-A191 HydrophobicContact CD1-CB 4.18Å; F188-A191 WeakPolarHBondContact O-CB 3.26Å; F188-A191 PolarHBondContact O-N 3.36Å; A191-F199 HydrophobicContact CB-CD1 3.96Å; A191-F199 HydrophobicContact CB-CE1 4.37Å; A191-F199 HydrophobicContact CB-CG 4.36Å; A191-V202 HydrophobicContact CB-CG2 3.56Å
192N95.6Very high96.2Very high58 Ų5888 Ų8831%0.3147%0.472SS..  trans-129.3108.7179.3-178.5-2000110.5L194 H195 F199N192-L194 PolarHBondContact O-N 3.48Å; N192-L194 VanDerWaalsContact OD1-CB 3.29Å; N192-L194 WeakPolarHBondContact OD1-CB 3.37Å; N192-L194 WeakPolarHBondContact OD1-CG 3.23Å; N192-L194 PolarHBondContact OD1-N 2.87Å; N192-L194 VanDerWaalsContact OD1-N 3.07Å; N192-H195 PolarHBondContact O-N 3.48Å; N192-F199 HydrophobicContact CB-CD2 4.26Å; N192-F199 HydrophobicContact CB-CE2 3.89Å; N192-F199 WeakPolarHBondContact O-CD2 3.44Å
193P92.8Very high96.2Very high63 Ų6391.4 Ų91.441%0.40947%0.472SS..THydrogen-bonded Turntrans-64.7-10.9-177.326.1-33.4000114H195 V202P193-H195 PolarHBondContact O-N 3.3Å; P193-V202 HydrophobicContact CB-CG1 4.27Å
194L95.6Very high96.2Very high142 Ų14292 Ų9274%0.74347%0.473SS*.THydrogen-bonded Turntrans-64.6-18.4169.9-64.4175.6000113.3N192 P196N192-L194 PolarHBondContact O-N 3.48Å; N192-L194 VanDerWaalsContact OD1-CB 3.29Å; N192-L194 WeakPolarHBondContact OD1-CB 3.37Å; N192-L194 WeakPolarHBondContact OD1-CG 3.23Å; N192-L194 PolarHBondContact OD1-N 2.87Å; N192-L194 VanDerWaalsContact OD1-N 3.07Å; L194-P196 VanDerWaalsContact O-CD 3.26Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å
195H96Very high96.3Very high86 Ų8691.6 Ų91.640%0.39847%0.471SS..  trans-118.270.6178.1-58.1-71.8000110.7N192 P193 D197 I198 F199N192-H195 PolarHBondContact O-N 3.48Å; P193-H195 PolarHBondContact O-N 3.3Å; H195-D197 VanDerWaalsContact C-OD1 3.3Å; H195-D197 PolarHBondContact O-N 3.5Å; H195-I198 HydrophobicContact CB-CB 3.98Å; H195-I198 HydrophobicContact CB-CD1 3.92Å; H195-I198 HydrophobicContact CB-CG1 4.04Å; H195-I198 PolarHBondContact O-N 3.25Å; H195-F199 HydrophobicContact CB-CD2 4.02Å; H195-F199 HydrophobicContact CB-CE2 4.18Å; H195-F199 WeakPolarHBondContact O-CD2 3.27Å; H195-F199 PolarHBondContact O-N 2.81Å
196P95.4Very high96.3Very high59 Ų5990.1 Ų90.138%0.38346%0.457SS..THydrogen-bonded Turntrans-64.9-20.4-174.725.5-34.7000114.2L194 P200 R203L194-P196 VanDerWaalsContact O-CD 3.26Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å; P196-P200 WeakPolarHBondContact O-CA 3.47Å; P196-R203 HydrophobicContact CB-CB 4.22Å; P196-R203 HydrophobicContact CB-CG 4.04Å
197D97.1Very high96.3Very high125 Ų12585.6 Ų85.667%0.66845%0.446SS*.THydrogen-bonded Turntrans-72.6-38.5172.360.3-48.6000112.1H195H195-D197 VanDerWaalsContact C-OD1 3.3Å; H195-D197 PolarHBondContact O-N 3.5Å
198I97Very high96.4Very high104 Ų10483.6 Ų83.653%0.53344%0.435SS..THydrogen-bonded Turntrans-80.9-36.8177.6-56.3-179.7000111H195 P200H195-I198 HydrophobicContact CB-CB 3.98Å; H195-I198 HydrophobicContact CB-CD1 3.92Å; H195-I198 HydrophobicContact CB-CG1 4.04Å; H195-I198 PolarHBondContact O-N 3.25Å; I198-P200 WeakPolarHBondContact O-CD 3.28Å
199F96.8Very high96.4Very high58 Ų5884.1 Ų84.125%0.25444%0.44SS..  trans-117.860-176.3-54.2-76.5000112.9W190 A191 N192 H195 G201 V202 R203W190-F199 WeakPolarHBondContact O-CZ 3.27Å; A191-F199 HydrophobicContact CB-CD1 3.96Å; A191-F199 HydrophobicContact CB-CE1 4.37Å; A191-F199 HydrophobicContact CB-CG 4.36Å; N192-F199 HydrophobicContact CB-CD2 4.26Å; N192-F199 HydrophobicContact CB-CE2 3.89Å; N192-F199 WeakPolarHBondContact O-CD2 3.44Å; H195-F199 HydrophobicContact CB-CD2 4.02Å; H195-F199 HydrophobicContact CB-CE2 4.18Å; H195-F199 WeakPolarHBondContact O-CD2 3.27Å; H195-F199 PolarHBondContact O-N 2.81Å; F199-G201 PolarHBondContact O-N 2.68Å; F199-G201 VanDerWaalsContact O-N 3.14Å; F199-V202 PolarHBondContact O-N 2.9Å; F199-R203 PolarHBondContact O-N 3.38Å
200P96.7Very high96.5Very high71 Ų7181.6 Ų81.646%0.46142%0.422SS..Hα-helixtrans-64.2-23.8-175.727.4-35.9000113.2P196 I198 K204P196-P200 WeakPolarHBondContact O-CA 3.47Å; I198-P200 WeakPolarHBondContact O-CD 3.28Å; P200-K204 WeakPolarHBondContact O-CB 3.35Å; P200-K204 PolarHBondContact O-N 2.86Å
201G96Very high96.5Very high38 Ų3875.6 Ų75.639%0.39240%0.399SS..Hα-helixtrans-63.4-47.5175.300000112.5F199 K204 M205F199-G201 PolarHBondContact O-N 2.68Å; F199-G201 VanDerWaalsContact O-N 3.14Å; G201-K204 PolarHBondContact O-N 3.31Å; G201-M205 WeakPolarHBondContact O-CG 3.29Å; G201-M205 PolarHBondContact O-N 2.91Å
202V95.7Very high96.7Very high20 Ų2079.7 Ų79.712%0.12142%0.416CS..Hα-helixtrans-66.7-45.5177.7178.10000110.9F188 A191 P193 F199 K204 M205 E206F188-V202 HydrophobicContact CD1-CG2 3.67Å; F188-V202 HydrophobicContact CE1-CG2 4.03Å; A191-V202 HydrophobicContact CB-CG2 3.56Å; P193-V202 HydrophobicContact CB-CG1 4.27Å; F199-V202 PolarHBondContact O-N 2.9Å; V202-K204 PolarHBondContact O-N 3.45Å; V202-M205 HydrophobicContact CB-CE 4.33Å; V202-M205 HydrophobicContact CG2-CE 3.88Å; V202-M205 PolarHBondContact O-N 3.18Å; V202-M205 VanDerWaalsContact O-N 3.08Å; V202-E206 HydrophobicContact CG1-CG 4.34Å; V202-E206 PolarHBondContact O-N 3.49Å
203R96.7Very high96.8Very high133 Ų13380.1 Ų80.150%0.50242%0.421SS..Hα-helixtrans-53.4-41.5173.9-175.3-158.467.680.9-0.6112P196 F199 A207P196-R203 HydrophobicContact CB-CB 4.22Å; P196-R203 HydrophobicContact CB-CG 4.04Å; F199-R203 PolarHBondContact O-N 3.38Å; R203-A207 WeakPolarHBondContact O-CB 3.47Å; R203-A207 PolarHBondContact O-N 3.39Å
204K97.8Very high97Very high116 Ų11677.9 Ų77.950%0.50441%0.406SS..Hα-helixtrans-66.5-48.4176.3-179.5-178.9169.6-174.10111.4P200 G201 V202 E206 A207 E208P200-K204 WeakPolarHBondContact O-CB 3.35Å; P200-K204 PolarHBondContact O-N 2.86Å; G201-K204 PolarHBondContact O-N 3.31Å; V202-K204 PolarHBondContact O-N 3.45Å; K204-E206 VanDerWaalsContact C-N 3.35Å; K204-E206 PolarHBondContact O-N 2.9Å; K204-A207 PolarHBondContact O-N 2.91Å; K204-E208 WeakPolarHBondContact CE-OE1 3.39Å; K204-E208 HydrophobicContact CG-CG 4.49Å; K204-E208 IonicContact NZ-OE1 3.74Å; K204-E208 WeakPolarHBondContact O-CG 3.43Å; K204-E208 PolarHBondContact O-N 3.46Å
205M97.3Very high97.1Very high64 Ų6475.4 Ų75.432%0.31539%0.394SS..Hα-helixtrans-58.4-44.6178.4-70.9-172.6-64.300111.9F188 G201 V202 A207 E208 I209F188-M205 HydrophobicContact CD1-CE 3.91Å; F188-M205 HydrophobicContact CD2-CE 4.4Å; F188-M205 HydrophobicContact CE1-CE 3.42Å; F188-M205 VanDerWaalsContact CE1-CE 3.42Å; F188-M205 HydrophobicContact CE2-CE 3.99Å; F188-M205 HydrophobicContact CE2-SD 4.42Å; F188-M205 HydrophobicContact CG-CE 4.37Å; F188-M205 HydrophobicContact CZ-CE 3.47Å; F188-M205 VanDerWaalsContact CZ-CE 3.47Å; F188-M205 HydrophobicContact CZ-SD 4.09Å; G201-M205 WeakPolarHBondContact O-CG 3.29Å; G201-M205 PolarHBondContact O-N 2.91Å; V202-M205 HydrophobicContact CB-CE 4.33Å; V202-M205 HydrophobicContact CG2-CE 3.88Å; V202-M205 PolarHBondContact O-N 3.18Å; V202-M205 VanDerWaalsContact O-N 3.08Å; M205-A207 PolarHBondContact O-N 2.87Å; M205-E208 PolarHBondContact O-N 3.48Å; M205-I209 VanDerWaalsContact O-CG1 3.24Å; M205-I209 WeakPolarHBondContact O-CG1 3.4Å; M205-I209 PolarHBondContact O-N 2.92Å
206E96.7Very high97.2Very high64 Ų6477.5 Ų77.530%0.29941%0.407SS..Hα-helixtrans-61.2-44176.7-71.7-176.3160.900112.1V202 K204 E208 I209 V210 V227V202-E206 HydrophobicContact CG1-CG 4.34Å; V202-E206 PolarHBondContact O-N 3.49Å; K204-E206 VanDerWaalsContact C-N 3.35Å; K204-E206 PolarHBondContact O-N 2.9Å; E206-E208 VanDerWaalsContact C-N 3.35Å; E206-E208 PolarHBondContact O-N 3.46Å; E206-I209 PolarHBondContact O-N 3.43Å; E206-V210 WeakPolarHBondContact O-CG2 3.41Å; E206-V210 PolarHBondContact O-N 3.34Å; E206-V227 HydrophobicContact CB-CG2 4.06Å; E206-V227 HydrophobicContact CG-CB 4.46Å; E206-V227 HydrophobicContact CG-CG2 4.15Å
207A97.6Very high97.3Very high54 Ų5482.1 Ų82.145%0.44642%0.422SS..Hα-helixtrans-63.4-39.6177.300000112.5R203 K204 M205 R211R203-A207 WeakPolarHBondContact O-CB 3.47Å; R203-A207 PolarHBondContact O-N 3.39Å; K204-A207 PolarHBondContact O-N 2.91Å; M205-A207 PolarHBondContact O-N 2.87Å; A207-R211 WeakPolarHBondContact O-CB 3.45Å; A207-R211 PolarHBondContact O-N 3.47Å
208E98.3Very high97.3Very high94 Ų9483.3 Ų83.344%0.43943%0.428SS..Hα-helixtrans-67-43.6176-72.8175.8168.600111.5K204 M205 E206 V210 R211 I212K204-E208 WeakPolarHBondContact CE-OE1 3.39Å; K204-E208 HydrophobicContact CG-CG 4.49Å; K204-E208 IonicContact NZ-OE1 3.74Å; K204-E208 WeakPolarHBondContact O-CG 3.43Å; K204-E208 PolarHBondContact O-N 3.46Å; M205-E208 PolarHBondContact O-N 3.48Å; E206-E208 VanDerWaalsContact C-N 3.35Å; E206-E208 PolarHBondContact O-N 3.46Å; E208-V210 PolarHBondContact O-N 2.95Å; E208-R211 PolarHBondContact O-N 3.38Å; E208-I212 WeakPolarHBondContact O-CB 3.37Å; E208-I212 WeakPolarHBondContact O-CD1 3.49Å; E208-I212 VanDerWaalsContact O-CG1 3.25Å; E208-I212 WeakPolarHBondContact O-CG1 3.46Å; E208-I212 PolarHBondContact O-N 3.25Å
209I97.5Very high97.2Very high88 Ų8880.3 Ų80.345%0.45142%0.423SS..Hα-helixtrans-56.7-51.3174.5-71163.7000110.4M205 E206 R211 I212 V213 V227M205-I209 VanDerWaalsContact O-CG1 3.24Å; M205-I209 WeakPolarHBondContact O-CG1 3.4Å; M205-I209 PolarHBondContact O-N 2.92Å; E206-I209 PolarHBondContact O-N 3.43Å; I209-R211 VanDerWaalsContact C-N 3.3Å; I209-R211 PolarHBondContact O-N 2.87Å; I209-I212 PolarHBondContact O-N 3.22Å; I209-V213 WeakPolarHBondContact O-CG2 3.5Å; I209-V213 PolarHBondContact O-N 2.91Å; I209-V227 HydrophobicContact CG2-CG2 4.24Å
210V97.4Very high97.2Very high25 Ų2579.1 Ų79.115%0.15243%0.427CS..Hα-helixtrans-57.6-45.6178.4169.70000110.5E206 E208 V213 C214 V227E206-V210 WeakPolarHBondContact O-CG2 3.41Å; E206-V210 PolarHBondContact O-N 3.34Å; E208-V210 PolarHBondContact O-N 2.95Å; V210-V213 PolarHBondContact O-N 3.44Å; V210-C214 WeakPolarHBondContact O-CB 3.44Å; V210-C214 PolarHBondContact O-N 2.91Å; V210-C214 PolarHBondContact O-SG 2.9Å; V210-V227 HydrophobicContact CG2-CG2 3.97Å
211R97.9Very high97.1Very high97 Ų9780.9 Ų80.937%0.36644%0.438SS..Hα-helixtrans-65.6-41.2179.7-177.452.757.8-173.9-1.4112.5A207 E208 I209 V213 C214 N215 G220 A223A207-R211 WeakPolarHBondContact O-CB 3.45Å; A207-R211 PolarHBondContact O-N 3.47Å; E208-R211 PolarHBondContact O-N 3.38Å; I209-R211 VanDerWaalsContact C-N 3.3Å; I209-R211 PolarHBondContact O-N 2.87Å; R211-V213 VanDerWaalsContact C-N 3.34Å; R211-C214 PolarHBondContact O-N 2.98Å; R211-N215 WeakPolarHBondContact O-CB 3.48Å; R211-N215 VanDerWaalsContact O-CG 3.22Å; R211-N215 PolarHBondContact O-N 3.47Å; R211-N215 PolarHBondContact O-ND2 3.34Å; R211-G220 PolarHBondContact NH1-O 2.97Å; R211-A223 PolarHBondContact NH2-O 3.02Å
212I98.3Very high97.1Very high114 Ų11487.4 Ų87.459%0.58546%0.458SS*.Hα-helixtrans-59.3-46.9175.5-71.5162.5000110E208 I209 N215 L216E208-I212 WeakPolarHBondContact O-CB 3.37Å; E208-I212 WeakPolarHBondContact O-CD1 3.49Å; E208-I212 VanDerWaalsContact O-CG1 3.25Å; E208-I212 WeakPolarHBondContact O-CG1 3.46Å; E208-I212 PolarHBondContact O-N 3.25Å; I209-I212 PolarHBondContact O-N 3.22Å; I212-N215 PolarHBondContact O-N 2.91Å; I212-L216 WeakPolarHBondContact O-CB 3.46Å; I212-L216 PolarHBondContact O-N 3.47Å
213V97.3Very high97.1Very high68 Ų6887.7 Ų87.741%0.41246%0.462SS..Hα-helixtrans-66.1-45178.8175.70000111.4I209 V210 R211 N215 L216 F217I209-V213 WeakPolarHBondContact O-CG2 3.5Å; I209-V213 PolarHBondContact O-N 2.91Å; V210-V213 PolarHBondContact O-N 3.44Å; R211-V213 VanDerWaalsContact C-N 3.34Å; V213-N215 PolarHBondContact O-N 3.14Å; V213-L216 WeakPolarHBondContact O-CB 3.26Å; V213-L216 PolarHBondContact O-N 3.44Å; V213-L216 VanDerWaalsContact O-N 3.12Å; V213-F217 HydrophobicContact CG1-CD2 3.86Å; V213-F217 HydrophobicContact CG1-CE2 3.96Å; V213-F217 WeakPolarHBondContact O-CD2 3.4Å; V213-F217 PolarHBondContact O-N 2.94Å; V213-F217 VanDerWaalsContact O-N 3.08Å
214C97.5Very high97.1Very high16 Ų1686.8 Ų86.811%0.10848%0.476CS..Hα-helixtrans-54.9-41.8174.3-73.90000111.9V210 R211 F217 N218 G219 A223V210-C214 WeakPolarHBondContact O-CB 3.44Å; V210-C214 PolarHBondContact O-N 2.91Å; V210-C214 PolarHBondContact O-SG 2.9Å; R211-C214 PolarHBondContact O-N 2.98Å; C214-F217 CarbonylContact O-C 3.57Å; C214-F217 PolarHBondContact O-N 2.92Å; C214-N218 PolarHBondContact O-N 3.24Å; C214-G219 PolarHBondContact O-N 3.29Å; C214-A223 HydrophobicContact CB-CB 4.09Å
215N97.7Very high96.9Very high90 Ų9083.8 Ų83.848%0.48148%0.478SS..Hα-helixtrans-70.2-39.1177.8-69.4-11.7000112R211 I212 V213 F217 N218R211-N215 WeakPolarHBondContact O-CB 3.48Å; R211-N215 VanDerWaalsContact O-CG 3.22Å; R211-N215 PolarHBondContact O-N 3.47Å; R211-N215 PolarHBondContact O-ND2 3.34Å; I212-N215 PolarHBondContact O-N 2.91Å; V213-N215 PolarHBondContact O-N 3.14Å; N215-F217 PolarHBondContact O-N 3.05Å; N215-N218 PolarHBondContact O-N 3.48Å
216L98Very high96.7Very high129 Ų12985.1 Ų85.168%0.67549%0.489SS*.Hα-helixtrans-57.9-34.6175.2-176.465.9000112.1I212 V213I212-L216 WeakPolarHBondContact O-CB 3.46Å; I212-L216 PolarHBondContact O-N 3.47Å; V213-L216 WeakPolarHBondContact O-CB 3.26Å; V213-L216 PolarHBondContact O-N 3.44Å; V213-L216 VanDerWaalsContact O-N 3.12Å
217F97.6Very high96.6Very high157 Ų15785 Ų8569%0.68949%0.493SS*.THydrogen-bonded Turntrans-95.112.4175.9-72.2-81.6000114.2V213 C214 N215 G219V213-F217 HydrophobicContact CG1-CD2 3.86Å; V213-F217 HydrophobicContact CG1-CE2 3.96Å; V213-F217 WeakPolarHBondContact O-CD2 3.4Å; V213-F217 PolarHBondContact O-N 2.94Å; V213-F217 VanDerWaalsContact O-N 3.08Å; C214-F217 CarbonylContact O-C 3.57Å; C214-F217 PolarHBondContact O-N 2.92Å; N215-F217 PolarHBondContact O-N 3.05Å; F217-G219 VanDerWaalsContact C-N 3.28Å; F217-G219 PolarHBondContact O-N 3.07Å
218N97.2Very high96.2Very high149 Ų14986.7 Ų86.780%0.79749%0.49SS*.THydrogen-bonded Turntrans55.433.9179.2-55.7-69.6000114.8C214 N215 G220C214-N218 PolarHBondContact O-N 3.24Å; N215-N218 PolarHBondContact O-N 3.48Å; N218-G220 PolarHBondContact O-N 2.94Å
219G95.7Very high95.4Very high42 Ų4288 Ų8843%0.43351%0.508SS..  trans-70.1-11.3-174.600000115.9C214 F217 A223C214-G219 PolarHBondContact O-N 3.29Å; F217-G219 VanDerWaalsContact C-N 3.28Å; F217-G219 PolarHBondContact O-N 3.07Å; G219-A223 VanDerWaalsContact O-CB 3.29Å; G219-A223 WeakPolarHBondContact O-CB 3.49Å
220G95.6Very high94.1Very high33 Ų3389.4 Ų89.434%0.3452%0.516SS..  trans73-171.5-178.600000114.3R211 N218 H222 A223R211-G220 PolarHBondContact NH1-O 2.97Å; N218-G220 PolarHBondContact O-N 2.94Å; G220-H222 VanDerWaalsContact C-N 3.34Å; G220-H222 PolarHBondContact O-N 3.49Å; G220-A223 PolarHBondContact O-N 3.48Å
221P95.4Very high92.8Very high107 Ų10792.9 Ų92.970%0.69554%0.542SS*.THydrogen-bonded Turntrans-69.3-30.2-172.526.1-33.8000113.3
222H96.6Very high91.4Very high176 Ų17693.3 Ų93.382%0.81555%0.55SS**THydrogen-bonded Turntrans-85.4-10.9-177.2-59.9-61.6000113.9G220 C224G220-H222 VanDerWaalsContact C-N 3.34Å; G220-H222 PolarHBondContact O-N 3.49Å; H222-C224 PolarHBondContact O-N 3.13Å
223A96Very high90.1Very high25 Ų2591 Ų9121%0.20754%0.539CS..  trans-65.4134.9174.300000111.3R211 C214 G219 G220R211-A223 PolarHBondContact NH2-O 3.02Å; C214-A223 HydrophobicContact CB-CB 4.09Å; G219-A223 VanDerWaalsContact O-CB 3.29Å; G219-A223 WeakPolarHBondContact O-CB 3.49Å; G220-A223 PolarHBondContact O-N 3.48Å
224C95.3Very high88.7Confident115 Ų11590.1 Ų90.178%0.77753%0.534SS*.  trans-136.6170.5178.964.60000110.4H222H222-C224 PolarHBondContact O-N 3.13Å
225G94.1Very high87.6Confident53 Ų5394.3 Ų94.355%0.54656%0.56SS.*  trans-175.9-178.5-179.600000111.5
226T93.9Very high86.6Confident92 Ų9295.3 Ų95.356%0.56456%0.564SS**  trans-143.1155.4174.8-169.70000109.9F228T226-F228 HydrophobicContact CG2-CD2 3.98Å; T226-F228 HydrophobicContact CG2-CE1 4.15Å; T226-F228 HydrophobicContact CG2-CE2 3.25Å; T226-F228 HydrophobicContact CG2-CZ 3.36Å
227V93.7Very high85.5Confident61 Ų6190.7 Ų90.737%0.3755%0.545SS..  trans-84.2137178.9-178.70000109.5E206 I209 V210E206-V227 HydrophobicContact CB-CG2 4.06Å; E206-V227 HydrophobicContact CG-CB 4.46Å; E206-V227 HydrophobicContact CG-CG2 4.15Å; I209-V227 HydrophobicContact CG2-CG2 4.24Å; V210-V227 HydrophobicContact CG2-CG2 3.97Å
228F88.6Confident84.6Confident89 Ų8986.7 Ų86.739%0.3953%0.533SS..  trans-126147.6176.4-68.1-83.2000110.8T226 L230 N233 P234 A237T226-F228 HydrophobicContact CG2-CD2 3.98Å; T226-F228 HydrophobicContact CG2-CE1 4.15Å; T226-F228 HydrophobicContact CG2-CE2 3.25Å; T226-F228 HydrophobicContact CG2-CZ 3.36Å; F228-L230 VanDerWaalsContact C-N 3.33Å; F228-L230 PolarHBondContact O-N 3.36Å; F228-N233 HydrophobicContact CB-CB 3.98Å; F228-N233 HydrophobicContact CD1-CB 3.68Å; F228-N233 HydrophobicContact CE1-CB 4.44Å; F228-N233 HydrophobicContact CG-CB 4.05Å; F228-P234 HydrophobicContact CB-CG 4.23Å; F228-P234 HydrophobicContact CD2-CG 3.81Å; F228-P234 HydrophobicContact CE2-CG 4.42Å; F228-P234 HydrophobicContact CG-CG 4.17Å; F228-A237 HydrophobicContact CE1-CB 4.11Å; F228-A237 HydrophobicContact CZ-CB 3.85Å
229C81.3Confident83.9Confident122 Ų12283 Ų8382%0.82452%0.517SS*.SBendtrans-65.3-30.4-177.3-56.40000114.7
230L71.8Confident83.1Confident117 Ų11787.2 Ų87.261%0.61352%0.524SS*.SBendtrans-148.3156.1-173-73.8169.1000110.6F228 I232 N233 P234F228-L230 VanDerWaalsContact C-N 3.33Å; F228-L230 PolarHBondContact O-N 3.36Å; L230-I232 PolarHBondContact O-N 3.07Å; L230-N233 PolarHBondContact O-N 3.35Å; L230-N233 VanDerWaalsContact O-N 3.15Å; L230-P234 WeakPolarHBondContact O-CD 3.37Å
231S69.8Low82.4Confident98 Ų9888.4 Ų88.469%0.68553%0.53SS*.THydrogen-bonded Turntrans-60.9-25.4179.955.20000114.5N233 P234 T235S231-N233 VanDerWaalsContact C-N 3.27Å; S231-N233 PolarHBondContact O-N 2.83Å; S231-P234 WeakPolarHBondContact O-CD 3.49Å; S231-T235 PolarHBondContact O-OG1 3.35Å
232I68.1Low81.6Confident107 Ų10790.3 Ų90.355%0.54952%0.524SS..Hα-helixtrans-65.9-32.7178.4-61.7171.4000111.1L230 T235 I236L230-I232 PolarHBondContact O-N 3.07Å; I232-T235 PolarHBondContact O-N 2.87Å; I232-I236 HydrophobicContact CG2-CD1 3.81Å; I232-I236 HydrophobicContact CG2-CG1 4.44Å; I232-I236 PolarHBondContact O-N 3.37Å
233N71.8Confident80.7Confident66 Ų6685.6 Ų85.635%0.35351%0.508SS..Hα-helixtrans-67.3-47.6-174-68.2-13.4000112.3F228 L230 S231 T235 I236 A237F228-N233 HydrophobicContact CB-CB 3.98Å; F228-N233 HydrophobicContact CD1-CB 3.68Å; F228-N233 HydrophobicContact CE1-CB 4.44Å; F228-N233 HydrophobicContact CG-CB 4.05Å; L230-N233 PolarHBondContact O-N 3.35Å; L230-N233 VanDerWaalsContact O-N 3.15Å; S231-N233 VanDerWaalsContact C-N 3.27Å; S231-N233 PolarHBondContact O-N 2.83Å; N233-T235 VanDerWaalsContact C-N 3.29Å; N233-T235 PolarHBondContact O-N 2.79Å; N233-I236 PolarHBondContact O-N 2.91Å; N233-I236 VanDerWaalsContact O-N 3.13Å; N233-A237 VanDerWaalsContact O-CB 3.27Å; N233-A237 WeakPolarHBondContact O-CB 3.32Å; N233-A237 PolarHBondContact O-N 2.88Å
234P66.6Low79.8Confident48 Ų4888.2 Ų88.231%0.31252%0.519SS..Hα-helixtrans-55-40.3170.4-27.232.3000113.8F228 L230 S231 I236 A237 T238F228-P234 HydrophobicContact CB-CG 4.23Å; F228-P234 HydrophobicContact CD2-CG 3.81Å; F228-P234 HydrophobicContact CE2-CG 4.42Å; F228-P234 HydrophobicContact CG-CG 4.17Å; L230-P234 WeakPolarHBondContact O-CD 3.37Å; S231-P234 WeakPolarHBondContact O-CD 3.49Å; P234-I236 PolarHBondContact O-N 3.24Å; P234-A237 PolarHBondContact O-N 2.85Å; P234-T238 VanDerWaalsContact O-CB 3.3Å; P234-T238 WeakPolarHBondContact O-CB 3.29Å; P234-T238 PolarHBondContact O-N 3.27Å; P234-T238 PolarHBondContact O-OG1 2.8Å; P234-T238 VanDerWaalsContact O-OG1 3.06Å
235T74.5Confident78.7Confident104 Ų10487.3 Ų87.364%0.63851%0.51SS*.Hα-helixtrans-63.4-26.3179.2-49.70000112.9S231 I232 N233 P239S231-T235 PolarHBondContact O-OG1 3.35Å; I232-T235 PolarHBondContact O-N 2.87Å; N233-T235 VanDerWaalsContact C-N 3.29Å; N233-T235 PolarHBondContact O-N 2.79Å; T235-P239 WeakPolarHBondContact O-CD 3.3Å; T235-P239 WeakPolarHBondContact O-CG 3.28Å
236I77.9Confident77.1Confident112 Ų11293.1 Ų93.157%0.57452%0.52SS*.Hα-helixtrans-90.4-43.6175.2-62.4170.6000110.9I232 N233 P234 P239 F240I232-I236 HydrophobicContact CG2-CD1 3.81Å; I232-I236 HydrophobicContact CG2-CG1 4.44Å; I232-I236 PolarHBondContact O-N 3.37Å; N233-I236 PolarHBondContact O-N 2.91Å; N233-I236 VanDerWaalsContact O-N 3.13Å; P234-I236 PolarHBondContact O-N 3.24Å; I236-P239 WeakPolarHBondContact O-CD 3.34Å; I236-F240 WeakPolarHBondContact O-CB 3.34Å; I236-F240 PolarHBondContact O-N 3.23Å
237A75Confident74.8Confident32 Ų3299.3 Ų99.326%0.26454%0.543SS..Hα-helixtrans-70-37.3-174.100000112.7F228 N233 P234 F240 A241F228-A237 HydrophobicContact CE1-CB 4.11Å; F228-A237 HydrophobicContact CZ-CB 3.85Å; N233-A237 VanDerWaalsContact O-CB 3.27Å; N233-A237 WeakPolarHBondContact O-CB 3.32Å; N233-A237 PolarHBondContact O-N 2.88Å; P234-A237 PolarHBondContact O-N 2.85Å; A237-F240 PolarHBondContact O-N 3.45Å; A237-A241 WeakPolarHBondContact O-CB 3.25Å; A237-A241 PolarHBondContact O-N 2.89Å
238T77.9Confident73.9Confident73 Ų73101.3 Ų101.345%0.44855%0.551SS.*Hα-helixtrans-64.8-51.5-179.5-62.10000112P234 F240 A241 Y242P234-T238 VanDerWaalsContact O-CB 3.3Å; P234-T238 WeakPolarHBondContact O-CB 3.29Å; P234-T238 PolarHBondContact O-N 3.27Å; P234-T238 PolarHBondContact O-OG1 2.8Å; P234-T238 VanDerWaalsContact O-OG1 3.06Å; T238-F240 VanDerWaalsContact C-N 3.29Å; T238-F240 PolarHBondContact O-N 3.3Å; T238-A241 PolarHBondContact O-N 3.38Å; T238-Y242 HydrophobicContact CG2-CD2 3.8Å; T238-Y242 HydrophobicContact CG2-CE2 3.46Å; T238-Y242 VanDerWaalsContact CG2-CE2 3.46Å; T238-Y242 WeakPolarHBondContact O-CD2 3.14Å; T238-Y242 PolarHBondContact O-N 3.27Å
239P81.4Confident73.1Confident70 Ų70101.9 Ų101.946%0.45556%0.56SS.*Hα-helixtrans-56.6-41.2172.2-26.435.2000113.1T235 I236 A241 Y242 T243T235-P239 WeakPolarHBondContact O-CD 3.3Å; T235-P239 WeakPolarHBondContact O-CG 3.28Å; I236-P239 WeakPolarHBondContact O-CD 3.34Å; P239-A241 VanDerWaalsContact C-N 3.33Å; P239-A241 PolarHBondContact O-N 3.35Å; P239-Y242 PolarHBondContact O-N 3.3Å; P239-T243 WeakPolarHBondContact O-CG2 3.09Å; P239-T243 PolarHBondContact O-N 2.64Å; P239-T243 PolarHBondContact O-OG1 3.08Å
240F79.6Confident72.6Confident132 Ų132100.8 Ų100.858%0.57955%0.545SS*.Hα-helixtrans-63.2-37.2177.9-173.3-100.9000112.9I236 A237 T238 T243 N244I236-F240 WeakPolarHBondContact O-CB 3.34Å; I236-F240 PolarHBondContact O-N 3.23Å; A237-F240 PolarHBondContact O-N 3.45Å; T238-F240 VanDerWaalsContact C-N 3.29Å; T238-F240 PolarHBondContact O-N 3.3Å; F240-T243 WeakPolarHBondContact CA-OG1 3.22Å; F240-T243 PolarHBondContact O-OG1 2.78Å; F240-N244 WeakPolarHBondContact CD1-ND2 3.44Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.32Å; F240-N244 VanDerWaalsContact CZ-ND2 3.34Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.36Å; F240-N244 VanDerWaalsContact O-CG 3.28Å; F240-N244 PolarHBondContact O-N 3.42Å; F240-N244 PolarHBondContact O-ND2 3.16Å
241A80.4Confident72.7Confident57 Ų5799.8 Ų99.847%0.47154%0.541SS..Hα-helixtrans-65.6-41.9173.700000111.4A237 T238 P239 T245A237-A241 WeakPolarHBondContact O-CB 3.25Å; A237-A241 PolarHBondContact O-N 2.89Å; T238-A241 PolarHBondContact O-N 3.38Å; P239-A241 VanDerWaalsContact C-N 3.33Å; P239-A241 PolarHBondContact O-N 3.35Å; A241-T245 WeakPolarHBondContact O-CG2 3.35Å; A241-T245 PolarHBondContact O-N 3.47Å; A241-T245 PolarHBondContact O-OG1 2.97Å
242Y79.8Confident72.9Confident147 Ų14799.9 Ų99.958%0.57653%0.532SS*.Hα-helixtrans-65.5-44.1176.7-78.2-68.7000112.4T238 P239 N244 T245 F246T238-Y242 HydrophobicContact CG2-CD2 3.8Å; T238-Y242 HydrophobicContact CG2-CE2 3.46Å; T238-Y242 VanDerWaalsContact CG2-CE2 3.46Å; T238-Y242 WeakPolarHBondContact O-CD2 3.14Å; T238-Y242 PolarHBondContact O-N 3.27Å; P239-Y242 PolarHBondContact O-N 3.3Å; Y242-N244 VanDerWaalsContact C-N 3.29Å; Y242-N244 PolarHBondContact O-N 2.93Å; Y242-T245 WeakPolarHBondContact CA-OG1 3.31Å; Y242-T245 PolarHBondContact O-N 3.44Å; Y242-T245 VanDerWaalsContact O-N 3.1Å; Y242-T245 PolarHBondContact O-OG1 3.49Å; Y242-F246 HydrophobicContact CD1-CE2 4.25Å; Y242-F246 WeakPolarHBondContact O-CD2 3.42Å
243T77.6Confident73.2Confident77 Ų7799.5 Ų99.547%0.47253%0.531SS..Hα-helixtrans-59.2-41179.251.70000111.9P239 F240 T245 F246P239-T243 WeakPolarHBondContact O-CG2 3.09Å; P239-T243 PolarHBondContact O-N 2.64Å; P239-T243 PolarHBondContact O-OG1 3.08Å; F240-T243 WeakPolarHBondContact CA-OG1 3.22Å; F240-T243 PolarHBondContact O-OG1 2.78Å; T243-T245 VanDerWaalsContact C-N 3.26Å; T243-T245 PolarHBondContact O-N 3.38Å; T243-F246 PolarHBondContact O-N 3.14Å
244N76.7Confident73.3Confident81 Ų81101.9 Ų101.943%0.43354%0.544SS..THydrogen-bonded Turntrans-75.6-11.1-179.6-63.6-19.1000113.9F240 Y242F240-N244 WeakPolarHBondContact CD1-ND2 3.44Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.32Å; F240-N244 VanDerWaalsContact CZ-ND2 3.34Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.36Å; F240-N244 VanDerWaalsContact O-CG 3.28Å; F240-N244 PolarHBondContact O-N 3.42Å; F240-N244 PolarHBondContact O-ND2 3.16Å; Y242-N244 VanDerWaalsContact C-N 3.29Å; Y242-N244 PolarHBondContact O-N 2.93Å
245T72.8Confident73.8Confident95 Ų95106 Ų10658%0.58356%0.562SS**THydrogen-bonded Turntrans-90.9-12.1175.148.90000113.9A241 Y242 T243A241-T245 WeakPolarHBondContact O-CG2 3.35Å; A241-T245 PolarHBondContact O-N 3.47Å; A241-T245 PolarHBondContact O-OG1 2.97Å; Y242-T245 WeakPolarHBondContact CA-OG1 3.31Å; Y242-T245 PolarHBondContact O-N 3.44Å; Y242-T245 VanDerWaalsContact O-N 3.1Å; Y242-T245 PolarHBondContact O-OG1 3.49Å; T243-T245 VanDerWaalsContact C-N 3.26Å; T243-T245 PolarHBondContact O-N 3.38Å
246F59.2Low73.7Confident175 Ų175106.2 Ų106.277%0.76856%0.555SS**  trans-1085.4-180-67.6-69.9000113.8Y242 T243Y242-F246 HydrophobicContact CD1-CE2 4.25Å; Y242-F246 WeakPolarHBondContact O-CD2 3.42Å; T243-F246 PolarHBondContact O-N 3.14Å
247E46.7Very low73.4Confident223 Ų223105.6 Ų105.6100%1.04255%0.554SS**  trans-93.70164.1-68.1-174.6169.900110.8

Retrieved 247 of 247 residues in 130.2 ms (Link to these results)