A0A077Z9C7_TRITR Loading...

7tm 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9C7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 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
1M44Very low48.5Very low226 Ų226145.2 Ų145.2100%1.11374%0.736SS**  0-25.40-80.3175.917300113.8
2Y49.3Very low49Very low216 Ų216138.2 Ų138.285%0.84771%0.706SS**Hα-helixtrans-79.5-22.6177.7-68.8-80.5000115.5A4Y2-A4 VanDerWaalsContact C-N 3.34Å; Y2-A4 PolarHBondContact O-N 3.02Å
3D55.8Low49.4Very low139 Ų139136.8 Ų136.874%0.74370%0.7SS**Hα-helixtrans-65.8-30.8-179.8-85.4-31000114.5
4A48.9Very low49.4Very low77 Ų77128.4 Ų128.464%0.63666%0.661SS**Hα-helixtrans-77-32.5-176.700000112.6Y2Y2-A4 VanDerWaalsContact C-N 3.34Å; Y2-A4 PolarHBondContact O-N 3.02Å
5A48Very low49.8Very low73 Ų73127.8 Ų127.860%0.60366%0.659SS**Hα-helixtrans-77.5-30.5-177.600000112.6L8A5-L8 WeakPolarHBondContact O-CB 3.46Å; A5-L8 PolarHBondContact O-N 3.41Å
6F52.7Low50.4Low124 Ų124125 Ų12554%0.54465%0.65SS.*Hα-helixtrans-76.9-25.1-180-167.4-102.8000113.2L8 R9F6-L8 PolarHBondContact O-N 3.19Å; F6-R9 PolarHBondContact O-N 2.91Å
7K49.2Very low50.9Low186 Ų186123.5 Ų123.581%0.80964%0.637SS**THydrogen-bonded Turntrans-66.8-8.3170.2-92.2-169.9177-1720114.3R9K7-R9 PolarHBondContact O-N 3.41Å
8L42.1Very low51.1Low151 Ų151120.7 Ų120.779%0.79163%0.628SS**THydrogen-bonded Turntrans-79.212.3172.1-130.596.4000113.4A5 F6 L10A5-L8 WeakPolarHBondContact O-CB 3.46Å; A5-L8 PolarHBondContact O-N 3.41Å; F6-L8 PolarHBondContact O-N 3.19Å; L8-L10 PolarHBondContact O-N 3.47Å; L8-L10 VanDerWaalsContact O-N 3.11Å
9R52.6Low51.6Low159 Ų159122.6 Ų122.660%0.663%0.634SS**SBendtrans-53.6118.6161.9-174.8164.1-71-156.3-5.4106.9F6 K7 P11F6-R9 PolarHBondContact O-N 2.91Å; K7-R9 PolarHBondContact O-N 3.41Å; R9-P11 VanDerWaalsContact O-N 3.15Å
10L44.6Very low52.7Low146 Ų146120 Ų12076%0.76462%0.621SS**  trans-37123.7176.9-76.1160.1000108.6L8 T12L8-L10 PolarHBondContact O-N 3.47Å; L8-L10 VanDerWaalsContact O-N 3.11Å; L10-T12 PolarHBondContact O-N 3.19Å
11P46.6Very low53.9Low100 Ų100124.2 Ų124.265%0.64963%0.629SS**  trans-53.8111.6174.721.8-30.8000106R9R9-P11 VanDerWaalsContact O-N 3.15Å
12T54.7Low55.6Low61 Ų61120.5 Ų120.537%0.37461%0.608SS.*  trans-69.2152.3175.658.20000106.1L10 A14 D15L10-T12 PolarHBondContact O-N 3.19Å; T12-A14 PolarHBondContact O-N 3.41Å; T12-D15 PolarHBondContact N-OD2 3.22Å; T12-D15 VanDerWaalsContact N-OD2 3.13Å; T12-D15 PolarHBondContact O-N 3.16Å; T12-D15 PolarHBondContact OG1-OD2 3.21Å; T12-D15 VanDerWaalsContact OG1-OD2 3.06Å
13I53.4Low57.2Low121 Ų121110.4 Ų110.462%0.62157%0.569SS**Hα-helixtrans-53.5-21.8179.9-42.4170.9000110.9
14A49.4Very low58.4Low19 Ų19107.6 Ų107.616%0.15755%0.551CS.*Hα-helixtrans-64.9-35.8173.800000115.5T12 T16 C23 C93T12-A14 PolarHBondContact O-N 3.41Å; A14-T16 VanDerWaalsContact C-N 3.3Å; A14-T16 PolarHBondContact O-N 3.08Å; A14-C23 WeakPolarHBondContact CA-SG 3.4Å; A14-C93 HydrophobicContact CB-CB 4.01Å
15D56.4Low60.2Low119 Ų119107.8 Ų107.864%0.63654%0.54SS*.Hα-helixtrans-75.5-23.2-177.5-58.4-54.5000112.1T12T12-D15 PolarHBondContact N-OD2 3.22Å; T12-D15 VanDerWaalsContact N-OD2 3.13Å; T12-D15 PolarHBondContact O-N 3.16Å; T12-D15 PolarHBondContact OG1-OD2 3.21Å; T12-D15 VanDerWaalsContact OG1-OD2 3.06Å
16T59.4Low62Low83 Ų83106.1 Ų106.151%0.50953%0.526SS..Hα-helixtrans-82.4-24.2-177.6-49.10000112.1A14A14-T16 VanDerWaalsContact C-N 3.3Å; A14-T16 PolarHBondContact O-N 3.08Å
17F57.8Low63.4Low99 Ų99100.9 Ų100.943%0.43450%0.504SS..  trans-14779.3-173.3-59.6-68.3000113H19 N20F17-H19 VanDerWaalsContact C-N 3.26Å; F17-H19 PolarHBondContact O-N 3.43Å; F17-N20 HydrophobicContact CB-CB 3.77Å; F17-N20 WeakPolarHBondContact CB-ND2 3.32Å; F17-N20 WeakPolarHBondContact CD1-ND2 3.23Å; F17-N20 HydrophobicContact CG-CB 4.39Å; F17-N20 WeakPolarHBondContact CG-ND2 3.39Å; F17-N20 PolarHBondContact O-N 3.04Å
18P55.1Low65.1Low73 Ų7394 Ų9447%0.47448%0.476SS..THydrogen-bonded Turntrans-61.8-29.2-172.722.1-32.5000114.2
19H60.2Low67.3Low158 Ų15890.7 Ų90.773%0.73146%0.459SS*.THydrogen-bonded Turntrans-119.111.7-176.8-80.2-66.9000115.4F17F17-H19 VanDerWaalsContact C-N 3.26Å; F17-H19 PolarHBondContact O-N 3.43Å
20N73.6Confident68.8Low70 Ų7088.5 Ų88.537%0.37446%0.458SS..  trans-80.8135.1179.6-76.1-15.1000111.8F17 H22 C23F17-N20 HydrophobicContact CB-CB 3.77Å; F17-N20 WeakPolarHBondContact CB-ND2 3.32Å; F17-N20 WeakPolarHBondContact CD1-ND2 3.23Å; F17-N20 HydrophobicContact CG-CB 4.39Å; F17-N20 WeakPolarHBondContact CG-ND2 3.39Å; F17-N20 PolarHBondContact O-N 3.04Å; N20-H22 PolarHBondContact O-N 3.36Å; N20-C23 PolarHBondContact O-N 3.35Å
21R78.3Confident70.6Confident209 Ų20984.1 Ų84.179%0.78943%0.433SS*.Hα-helixtrans-48.5-30.9170.3-69.517865.4-168.20.4112.6F24 I25R21-F24 WeakPolarHBondContact O-CB 3.31Å; R21-F24 PolarHBondContact O-N 3.25Å; R21-I25 VanDerWaalsContact O-CG1 3.29Å; R21-I25 WeakPolarHBondContact O-CG1 3.39Å; R21-I25 PolarHBondContact O-N 3.14Å; R21-I25 VanDerWaalsContact O-N 3.08Å
22H80.3Confident72.5Confident147 Ų14781.2 Ų81.268%0.68141%0.409SS*.Hα-helixtrans-63-39.9175.7-65.5-70.9000113.4N20 A26N20-H22 PolarHBondContact O-N 3.36Å; H22-A26 VanDerWaalsContact O-CB 3.25Å; H22-A26 WeakPolarHBondContact O-CB 3.47Å; H22-A26 PolarHBondContact O-N 2.77Å
23C82.5Confident74.1Confident5 Ų584.1 Ų84.13%0.03442%0.417CS..Hα-helixtrans-65.2-44.6178.6-167.90000110.9A14 N20 I25 A26 T27 C93A14-C23 WeakPolarHBondContact CA-SG 3.4Å; N20-C23 PolarHBondContact O-N 3.35Å; C23-I25 PolarHBondContact O-N 3.47Å; C23-A26 PolarHBondContact O-N 3.18Å; C23-T27 WeakPolarHBondContact O-CB 3.35Å; C23-T27 PolarHBondContact O-N 3.02Å; C23-T27 PolarHBondContact O-OG1 2.69Å; C23-C93 HydrophobicContact CB-CB 3.9Å; C23-C93 WeakPolarHBondContact CB-SG 3.28Å; C23-C93 PolarHBondContact O-SG 3.49Å; C23-C93 WeakPolarHBondContact SG-CB 3.46Å; C23-C93 CovalentContact SG-SG 2.01Å; C23-C93 PolarHBondContact SG-SG 3.4Å
24F81.5Confident75.5Confident80 Ų8081.6 Ų81.635%0.35141%0.407SS..Hα-helixtrans-57.4-50.7177.1-174.8-89.6000112.7R21 A26 T27 I28 W94R21-F24 WeakPolarHBondContact O-CB 3.31Å; R21-F24 PolarHBondContact O-N 3.25Å; F24-A26 VanDerWaalsContact C-N 3.35Å; F24-A26 PolarHBondContact O-N 3.26Å; F24-T27 PolarHBondContact O-N 2.99Å; F24-I28 HydrophobicContact CD1-CD1 3.43Å; F24-I28 VanDerWaalsContact CD1-CD1 3.43Å; F24-I28 HydrophobicContact CD1-CG1 4.41Å; F24-I28 HydrophobicContact CE1-CD1 3.2Å; F24-I28 HydrophobicContact CE1-CG1 4.45Å; F24-I28 HydrophobicContact CG-CD1 4.31Å; F24-I28 HydrophobicContact CZ-CD1 3.97Å; F24-I28 WeakPolarHBondContact O-CG1 3.22Å; F24-I28 PolarHBondContact O-N 3.28Å; F24-W94 HydrophobicContact CD1-CZ3 4.46Å; F24-W94 AromaticContact CD2-CD2 3.45Å; F24-W94 HydrophobicContact CD2-CD2 3.45Å; F24-W94 VanDerWaalsContact CD2-CD2 3.45Å; F24-W94 AromaticContact CD2-CE2 3.64Å; F24-W94 AromaticContact CD2-CE3 3.62Å; F24-W94 HydrophobicContact CD2-CE3 3.62Å; F24-W94 HydrophobicContact CD2-CG 4.03Å; F24-W94 HydrophobicContact CD2-CH2 4.17Å; F24-W94 HydrophobicContact CD2-CZ2 4.02Å; F24-W94 AromaticContact CD2-CZ3 3.98Å; F24-W94 HydrophobicContact CD2-CZ3 3.98Å; F24-W94 HydrophobicContact CE1-CE3 4.27Å; F24-W94 HydrophobicContact CE1-CH2 4.02Å; F24-W94 AromaticContact CE1-CZ3 3.78Å; F24-W94 HydrophobicContact CE1-CZ3 3.78Å; F24-W94 AromaticContact CE2-CD2 3.3Å; F24-W94 HydrophobicContact CE2-CD2 3.3Å; F24-W94 AromaticContact CE2-CE2 3.07Å; F24-W94 AromaticContact CE2-CE3 3.38Å; F24-W94 HydrophobicContact CE2-CE3 3.38Å; F24-W94 HydrophobicContact CE2-CG 4.26Å; F24-W94 AromaticContact CE2-CH2 3.11Å; F24-W94 HydrophobicContact CE2-CH2 3.11Å; F24-W94 AromaticContact CE2-CZ2 3Å; F24-W94 HydrophobicContact CE2-CZ2 3Å; F24-W94 AromaticContact CE2-CZ3 3.29Å; F24-W94 HydrophobicContact CE2-CZ3 3.29Å; F24-W94 AromaticContact CE2-NE1 3.82Å; F24-W94 HydrophobicContact CG-CD2 4.43Å; F24-W94 HydrophobicContact CG-CE3 4.24Å; F24-W94 HydrophobicContact CZ-CD2 4.09Å; F24-W94 AromaticContact CZ-CE2 3.92Å; F24-W94 AromaticContact CZ-CE3 3.71Å; F24-W94 HydrophobicContact CZ-CE3 3.71Å; F24-W94 AromaticContact CZ-CH2 2.97Å; F24-W94 HydrophobicContact CZ-CH2 2.97Å; F24-W94 AromaticContact CZ-CZ2 3.41Å; F24-W94 HydrophobicContact CZ-CZ2 3.41Å; F24-W94 VanDerWaalsContact CZ-CZ2 3.41Å; F24-W94 AromaticContact CZ-CZ3 3.14Å; F24-W94 HydrophobicContact CZ-CZ3 3.14Å
25I85.5Confident77Confident81 Ų8182 Ų8242%0.41541%0.408SS..Hα-helixtrans-62-45178.1-66165.7000110.1R21 C23 T27 I28 L29R21-I25 VanDerWaalsContact O-CG1 3.29Å; R21-I25 WeakPolarHBondContact O-CG1 3.39Å; R21-I25 PolarHBondContact O-N 3.14Å; R21-I25 VanDerWaalsContact O-N 3.08Å; C23-I25 PolarHBondContact O-N 3.47Å; I25-T27 VanDerWaalsContact C-N 3.33Å; I25-T27 PolarHBondContact O-N 3.18Å; I25-I28 PolarHBondContact O-N 3.09Å; I25-L29 HydrophobicContact CG2-CD1 3.72Å; I25-L29 HydrophobicContact CG2-CG 4.18Å; I25-L29 WeakPolarHBondContact O-CB 3.28Å; I25-L29 VanDerWaalsContact O-CG 3.24Å; I25-L29 WeakPolarHBondContact O-CG 3.3Å; I25-L29 PolarHBondContact O-N 3.35Å
26A85.6Confident78.4Confident38 Ų3876.7 Ų76.731%0.31438%0.38SS..Hα-helixtrans-60.3-42.2178.800000112H22 C23 F24 L29 L30H22-A26 VanDerWaalsContact O-CB 3.25Å; H22-A26 WeakPolarHBondContact O-CB 3.47Å; H22-A26 PolarHBondContact O-N 2.77Å; C23-A26 PolarHBondContact O-N 3.18Å; F24-A26 VanDerWaalsContact C-N 3.35Å; F24-A26 PolarHBondContact O-N 3.26Å; A26-L29 PolarHBondContact O-N 3.18Å; A26-L30 VanDerWaalsContact O-CB 3.3Å; A26-L30 WeakPolarHBondContact O-CB 3.23Å; A26-L30 PolarHBondContact O-N 3.43Å
27T82.4Confident79.5Confident13 Ų1374.3 Ų74.38%0.0837%0.372CS..Hα-helixtrans-67.6-42.6178.5-600000112.2C23 F24 I25 L30 K31 C93 W94C23-T27 WeakPolarHBondContact O-CB 3.35Å; C23-T27 PolarHBondContact O-N 3.02Å; C23-T27 PolarHBondContact O-OG1 2.69Å; F24-T27 PolarHBondContact O-N 2.99Å; I25-T27 VanDerWaalsContact C-N 3.33Å; I25-T27 PolarHBondContact O-N 3.18Å; T27-L30 PolarHBondContact O-N 3.29Å; T27-K31 HydrophobicContact CG2-CD 4.17Å; T27-K31 WeakPolarHBondContact O-CB 3.46Å; T27-K31 VanDerWaalsContact O-CG 3.29Å; T27-K31 WeakPolarHBondContact O-CG 3.35Å; T27-K31 PolarHBondContact O-N 2.9Å; T27-C93 PolarHBondContact OG1-SG 3.3Å; T27-C93 VanDerWaalsContact OG1-SG 3.33Å; T27-W94 HydrophobicContact CG2-CB 4.08Å; T27-W94 WeakPolarHBondContact CG2-O 3.48Å
28I86.2Confident80.5Confident41 Ų4170.1 Ų70.121%0.2135%0.354CS..Hα-helixtrans-61.5-46.5174.4-67.6170.3000110.6F24 I25 K31 Y32 I78 W94F24-I28 HydrophobicContact CD1-CD1 3.43Å; F24-I28 VanDerWaalsContact CD1-CD1 3.43Å; F24-I28 HydrophobicContact CD1-CG1 4.41Å; F24-I28 HydrophobicContact CE1-CD1 3.2Å; F24-I28 HydrophobicContact CE1-CG1 4.45Å; F24-I28 HydrophobicContact CG-CD1 4.31Å; F24-I28 HydrophobicContact CZ-CD1 3.97Å; F24-I28 WeakPolarHBondContact O-CG1 3.22Å; F24-I28 PolarHBondContact O-N 3.28Å; I25-I28 PolarHBondContact O-N 3.09Å; I28-K31 PolarHBondContact O-N 3.15Å; I28-Y32 VanDerWaalsContact O-CB 3.32Å; I28-Y32 WeakPolarHBondContact O-CB 3.44Å; I28-Y32 PolarHBondContact O-N 3.05Å; I28-I78 HydrophobicContact CG2-CG2 3.77Å; I28-W94 HydrophobicContact CD1-CE3 3.98Å; I28-W94 HydrophobicContact CD1-CZ3 3.58Å; I28-W94 HydrophobicContact CG1-CE3 3.84Å; I28-W94 HydrophobicContact CG1-CZ3 3.84Å
29L87.8Confident81.8Confident83 Ų8367.6 Ų67.644%0.43534%0.335SS..Hα-helixtrans-62.3-45.6178.9-73.2175000111.3I25 A26 K31 Y32 F33I25-L29 HydrophobicContact CG2-CD1 3.72Å; I25-L29 HydrophobicContact CG2-CG 4.18Å; I25-L29 WeakPolarHBondContact O-CB 3.28Å; I25-L29 VanDerWaalsContact O-CG 3.24Å; I25-L29 WeakPolarHBondContact O-CG 3.3Å; I25-L29 PolarHBondContact O-N 3.35Å; A26-L29 PolarHBondContact O-N 3.18Å; L29-K31 PolarHBondContact O-N 3.38Å; L29-Y32 WeakPolarHBondContact O-CB 3.43Å; L29-Y32 PolarHBondContact O-N 3.49Å; L29-F33 HydrophobicContact CB-CD2 4.38Å; L29-F33 HydrophobicContact CB-CE2 4.33Å; L29-F33 HydrophobicContact CD2-CE2 4.35Å; L29-F33 WeakPolarHBondContact O-CD2 3.36Å; L29-F33 PolarHBondContact O-N 3.46Å
30L84Confident82.9Confident113 Ų11363.1 Ų63.159%0.59231%0.312SS*.Hα-helixtrans-59.5-48.2177.5-17669.3000111.1A26 T27 Y32 F33 V34A26-L30 VanDerWaalsContact O-CB 3.3Å; A26-L30 WeakPolarHBondContact O-CB 3.23Å; A26-L30 PolarHBondContact O-N 3.43Å; T27-L30 PolarHBondContact O-N 3.29Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 2.82Å; L30-F33 PolarHBondContact O-N 3.32Å; L30-V34 HydrophobicContact CD1-CG2 4.49Å; L30-V34 WeakPolarHBondContact O-CB 3.42Å; L30-V34 VanDerWaalsContact O-CG2 3.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.24Å; L30-V34 PolarHBondContact O-N 3.38Å
31K81.6Confident83.2Confident54 Ų5462 Ų6224%0.23531%0.305CS..Hα-helixtrans-61.5-41.4177-68.2178.290126.40111.1T27 I28 L29 T35 I78 D101T27-K31 HydrophobicContact CG2-CD 4.17Å; T27-K31 WeakPolarHBondContact O-CB 3.46Å; T27-K31 VanDerWaalsContact O-CG 3.29Å; T27-K31 WeakPolarHBondContact O-CG 3.35Å; T27-K31 PolarHBondContact O-N 2.9Å; I28-K31 PolarHBondContact O-N 3.15Å; L29-K31 PolarHBondContact O-N 3.38Å; K31-T35 WeakPolarHBondContact O-CB 3.45Å; K31-T35 PolarHBondContact O-N 2.87Å; K31-T35 PolarHBondContact O-OG1 3.31Å; K31-I78 HydrophobicContact CB-CD1 3.87Å; K31-D101 IonicContact NZ-OD1 3.59Å; K31-D101 IonicContact NZ-OD2 3.03Å; K31-D101 PolarHBondContact NZ-OD2 3.44Å
32Y87.3Confident83.1Confident39 Ų3954.3 Ų54.315%0.15328%0.278CS..Hα-helixtrans-62-50.7175.9175.3-110.1000113I28 L29 L30 V34 T35 A36 W71 P74 L75 I78I28-Y32 VanDerWaalsContact O-CB 3.32Å; I28-Y32 WeakPolarHBondContact O-CB 3.44Å; I28-Y32 PolarHBondContact O-N 3.05Å; L29-Y32 WeakPolarHBondContact O-CB 3.43Å; L29-Y32 PolarHBondContact O-N 3.49Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 2.82Å; Y32-V34 VanDerWaalsContact C-N 3.34Å; Y32-V34 PolarHBondContact O-N 3.43Å; Y32-T35 PolarHBondContact O-N 3.42Å; Y32-A36 WeakPolarHBondContact O-CB 3.4Å; Y32-A36 PolarHBondContact O-N 3.25Å; Y32-W71 HydrophobicContact CD1-CZ3 4.48Å; Y32-W71 AromaticContact CE1-CE3 3.92Å; Y32-W71 HydrophobicContact CE1-CE3 3.92Å; Y32-W71 AromaticContact CE1-CZ3 3.47Å; Y32-W71 HydrophobicContact CE1-CZ3 3.47Å; Y32-W71 VanDerWaalsContact CE1-CZ3 3.47Å; Y32-W71 HydrophobicContact CE2-CE3 4.45Å; Y32-W71 AromaticContact CZ-CE3 3.54Å; Y32-W71 AromaticContact CZ-CZ3 3.64Å; Y32-W71 WeakPolarHBondContact OH-CZ3 3.46Å; Y32-P74 HydrophobicContact CD2-CB 4.14Å; Y32-P74 HydrophobicContact CE2-CB 3.97Å; Y32-L75 HydrophobicContact CE2-CB 3.97Å; Y32-L75 HydrophobicContact CE2-CD1 4Å; Y32-I78 HydrophobicContact CD2-CG1 4.3Å
33F88.8Confident83.2Confident122 Ų12248 Ų4854%0.53525%0.249SC..Hα-helixtrans-64-39.8179.9-78.3-64.8000112.2L29 L30 G37 W71L29-F33 HydrophobicContact CB-CD2 4.38Å; L29-F33 HydrophobicContact CB-CE2 4.33Å; L29-F33 HydrophobicContact CD2-CE2 4.35Å; L29-F33 WeakPolarHBondContact O-CD2 3.36Å; L29-F33 PolarHBondContact O-N 3.46Å; L30-F33 PolarHBondContact O-N 3.32Å; F33-G37 PolarHBondContact O-N 3.41Å; F33-W71 HydrophobicContact CE1-CH2 4.35Å
34V81.6Confident83Confident67 Ų6752 Ų5241%0.40627%0.267SS..Hα-helixtrans-62-55.5175.3171.20000109.9L30 Y32 A36 G37 F38 L130L30-V34 HydrophobicContact CD1-CG2 4.49Å; L30-V34 WeakPolarHBondContact O-CB 3.42Å; L30-V34 VanDerWaalsContact O-CG2 3.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.24Å; L30-V34 PolarHBondContact O-N 3.38Å; Y32-V34 VanDerWaalsContact C-N 3.34Å; Y32-V34 PolarHBondContact O-N 3.43Å; V34-A36 VanDerWaalsContact C-N 3.34Å; V34-A36 PolarHBondContact O-N 2.96Å; V34-G37 PolarHBondContact O-N 3.32Å; V34-G37 VanDerWaalsContact O-N 3.16Å; V34-F38 HydrophobicContact CG1-CD2 4.14Å; V34-F38 HydrophobicContact CG1-CE2 3.68Å; V34-F38 WeakPolarHBondContact O-CD2 3.38Å; V34-F38 PolarHBondContact O-N 3.48Å; V34-L130 HydrophobicContact CG1-CD2 4.05Å
35T81.5Confident82.7Confident28 Ų2848.2 Ų48.217%0.17225%0.251CS..Hα-helixtrans-59.7-42.3178.6-600000112K31 Y32 G37 F38 F39 P74 L77K31-T35 WeakPolarHBondContact O-CB 3.45Å; K31-T35 PolarHBondContact O-N 2.87Å; K31-T35 PolarHBondContact O-OG1 3.31Å; Y32-T35 PolarHBondContact O-N 3.42Å; T35-G37 VanDerWaalsContact C-N 3.34Å; T35-G37 PolarHBondContact O-N 3.47Å; T35-F38 WeakPolarHBondContact O-CB 3.31Å; T35-F38 PolarHBondContact O-N 3.17Å; T35-F38 VanDerWaalsContact O-N 3.16Å; T35-F39 HydrophobicContact CG2-CD2 3.78Å; T35-F39 HydrophobicContact CG2-CE2 3.72Å; T35-F39 WeakPolarHBondContact O-CD2 3.47Å; T35-F39 PolarHBondContact O-N 3.46Å; T35-P74 HydrophobicContact CG2-CB 4.17Å; T35-L77 HydrophobicContact CG2-CD1 4.5Å
36A85.9Confident82.3Confident7 Ų747.4 Ų47.46%0.05825%0.247CC..Hα-helixtrans-62.1-40.4176.500000112.1Y32 V34 F38 F39 W40 W71 P74Y32-A36 WeakPolarHBondContact O-CB 3.4Å; Y32-A36 PolarHBondContact O-N 3.25Å; V34-A36 VanDerWaalsContact C-N 3.34Å; V34-A36 PolarHBondContact O-N 2.96Å; A36-F38 VanDerWaalsContact C-N 3.28Å; A36-F38 PolarHBondContact O-N 3.19Å; A36-F39 PolarHBondContact O-N 3.48Å; A36-W40 WeakPolarHBondContact O-CB 3.26Å; A36-W40 PolarHBondContact O-N 2.82Å; A36-W71 HydrophobicContact CB-CE3 4.2Å; A36-W71 HydrophobicContact CB-CZ3 4.08Å; A36-P74 HydrophobicContact CB-CB 4.07Å; A36-P74 HydrophobicContact CB-CG 4.05Å
37G82.7Confident81.9Confident33 Ų3349.9 Ų49.934%0.3425%0.249SC..Hα-helixtrans-55.4-43.3172.600000112.3F33 V34 T35 W40 M41F33-G37 PolarHBondContact O-N 3.41Å; V34-G37 PolarHBondContact O-N 3.32Å; V34-G37 VanDerWaalsContact O-N 3.16Å; T35-G37 VanDerWaalsContact C-N 3.34Å; T35-G37 PolarHBondContact O-N 3.47Å; G37-W40 PolarHBondContact O-N 3.48Å; G37-M41 WeakPolarHBondContact O-CG 3.33Å; G37-M41 PolarHBondContact O-N 2.92Å
38F78.7Confident81.5Confident11 Ų1153.3 Ų53.35%0.04827%0.267CS..Hα-helixtrans-64-46.5175.1-74.7-78.3000113.7V34 T35 A36 W40 M41 F42 V108 Y126 L130V34-F38 HydrophobicContact CG1-CD2 4.14Å; V34-F38 HydrophobicContact CG1-CE2 3.68Å; V34-F38 WeakPolarHBondContact O-CD2 3.38Å; V34-F38 PolarHBondContact O-N 3.48Å; T35-F38 WeakPolarHBondContact O-CB 3.31Å; T35-F38 PolarHBondContact O-N 3.17Å; T35-F38 VanDerWaalsContact O-N 3.16Å; A36-F38 VanDerWaalsContact C-N 3.28Å; A36-F38 PolarHBondContact O-N 3.19Å; F38-W40 VanDerWaalsContact C-N 3.27Å; F38-W40 PolarHBondContact O-N 3.37Å; F38-M41 HydrophobicContact CD1-CE 3.59Å; F38-M41 HydrophobicContact CE1-CE 4.02Å; F38-M41 HydrophobicContact CG-CE 4.14Å; F38-M41 PolarHBondContact O-N 3.19Å; F38-F42 PolarHBondContact O-N 3.45Å; F38-V108 HydrophobicContact CB-CG1 4.08Å; F38-V108 HydrophobicContact CG-CG1 4.48Å; F38-Y126 HydrophobicContact CE1-CG 4.38Å; F38-Y126 HydrophobicContact CZ-CD1 4.28Å; F38-Y126 HydrophobicContact CZ-CG 4.44Å; F38-Y126 VanDerWaalsContact CZ-O 3.28Å; F38-Y126 WeakPolarHBondContact CZ-O 3.4Å; F38-L130 HydrophobicContact CD1-CD1 4.15Å; F38-L130 HydrophobicContact CD2-CD1 3.91Å; F38-L130 HydrophobicContact CD2-CD2 4.04Å; F38-L130 HydrophobicContact CD2-CG 4.34Å; F38-L130 HydrophobicContact CE1-CD1 3.79Å; F38-L130 HydrophobicContact CE1-CG 4.25Å; F38-L130 HydrophobicContact CE2-CD1 3.64Å; F38-L130 HydrophobicContact CE2-CD2 3.4Å; F38-L130 HydrophobicContact CE2-CG 3.63Å; F38-L130 HydrophobicContact CG-CD1 4.19Å; F38-L130 HydrophobicContact CZ-CD1 3.56Å; F38-L130 HydrophobicContact CZ-CD2 3.88Å; F38-L130 HydrophobicContact CZ-CG 3.56Å
39F82.2Confident81Confident20 Ų2054.9 Ų54.99%0.08828%0.275CS..Hα-helixtrans-65.6-33.3177.9-85.6-82.4000112.1T35 A36 F42 V43 I73 P74 L77 V108T35-F39 HydrophobicContact CG2-CD2 3.78Å; T35-F39 HydrophobicContact CG2-CE2 3.72Å; T35-F39 WeakPolarHBondContact O-CD2 3.47Å; T35-F39 PolarHBondContact O-N 3.46Å; A36-F39 PolarHBondContact O-N 3.48Å; F39-F42 WeakPolarHBondContact O-CB 3.29Å; F39-F42 PolarHBondContact O-N 3.25Å; F39-V43 WeakPolarHBondContact O-CG2 3.26Å; F39-V43 PolarHBondContact O-N 2.88Å; F39-I73 HydrophobicContact CD1-CB 4.29Å; F39-I73 HydrophobicContact CD1-CG2 4.05Å; F39-I73 HydrophobicContact CE1-CB 4.11Å; F39-I73 HydrophobicContact CE1-CG2 3.39Å; F39-I73 HydrophobicContact CE2-CG2 4.21Å; F39-I73 HydrophobicContact CZ-CG2 3.49Å; F39-I73 VanDerWaalsContact CZ-CG2 3.49Å; F39-P74 HydrophobicContact CB-CG 3.76Å; F39-P74 HydrophobicContact CD2-CB 4.44Å; F39-P74 HydrophobicContact CD2-CG 3.63Å; F39-P74 HydrophobicContact CE2-CG 4.45Å; F39-P74 HydrophobicContact CG-CG 3.81Å; F39-L77 HydrophobicContact CE2-CD1 3.45Å; F39-L77 VanDerWaalsContact CE2-CD1 3.45Å; F39-L77 HydrophobicContact CZ-CD1 3.52Å; F39-V108 HydrophobicContact CD2-CG2 4.35Å; F39-V108 HydrophobicContact CE2-CG2 3.45Å; F39-V108 VanDerWaalsContact CE2-CG2 3.45Å; F39-V108 HydrophobicContact CZ-CG2 3.65Å
40W84Confident80.4Confident65 Ų6553.6 Ų53.625%0.24627%0.27CS..Hα-helixtrans-67.8-44.6175.3-162.9-95.2000111.9A36 G37 F38 F42 V43 E44 Y63 A67 W71A36-W40 WeakPolarHBondContact O-CB 3.26Å; A36-W40 PolarHBondContact O-N 2.82Å; G37-W40 PolarHBondContact O-N 3.48Å; F38-W40 VanDerWaalsContact C-N 3.27Å; F38-W40 PolarHBondContact O-N 3.37Å; W40-F42 PolarHBondContact O-N 3.07Å; W40-V43 PolarHBondContact O-N 2.84Å; W40-V43 VanDerWaalsContact O-N 3.1Å; W40-E44 PolarHBondContact NE1-OE1 3.19Å; W40-E44 WeakPolarHBondContact O-CG 3.4Å; W40-E44 PolarHBondContact O-N 3.32Å; W40-Y63 WeakPolarHBondContact CZ2-OH 3.16Å; W40-A67 HydrophobicContact CH2-CB 3.76Å; W40-A67 HydrophobicContact CZ3-CB 3.95Å; W40-W71 AromaticContact CZ3-CD1 3.99Å; W40-W71 AromaticContact CZ3-NE1 3.93Å
41M78.4Confident79.8Confident46 Ų4649.6 Ų49.623%0.22725%0.252CS..Hα-helixtrans-57.6-37.8171.8-71.5-172-66.400111.9G37 F38 G45G37-M41 WeakPolarHBondContact O-CG 3.33Å; G37-M41 PolarHBondContact O-N 2.92Å; F38-M41 HydrophobicContact CD1-CE 3.59Å; F38-M41 HydrophobicContact CE1-CE 4.02Å; F38-M41 HydrophobicContact CG-CE 4.14Å; F38-M41 PolarHBondContact O-N 3.19Å; M41-G45 PolarHBondContact O-N 3.38Å
42F76.8Confident79.4Confident48 Ų4852.9 Ų52.921%0.21128%0.276CS..Hα-helixtrans-65.2-45.2174.1175.1-107.6000112.4F38 F39 W40 G45 L46 A111F38-F42 PolarHBondContact O-N 3.45Å; F39-F42 WeakPolarHBondContact O-CB 3.29Å; F39-F42 PolarHBondContact O-N 3.25Å; W40-F42 PolarHBondContact O-N 3.07Å; F42-G45 PolarHBondContact O-N 3.38Å; F42-L46 HydrophobicContact CD1-CD1 3.94Å; F42-L46 HydrophobicContact CD2-CD1 4.49Å; F42-L46 HydrophobicContact CD2-CG 4.32Å; F42-L46 HydrophobicContact CE1-CD1 3.3Å; F42-L46 HydrophobicContact CE1-CG 4.13Å; F42-L46 HydrophobicContact CE2-CD1 3.91Å; F42-L46 HydrophobicContact CE2-CD2 4.21Å; F42-L46 HydrophobicContact CE2-CG 3.9Å; F42-L46 HydrophobicContact CZ-CD1 3.29Å; F42-L46 HydrophobicContact CZ-CD2 4.24Å; F42-L46 HydrophobicContact CZ-CG 3.82Å; F42-L46 WeakPolarHBondContact O-CB 3.26Å; F42-L46 WeakPolarHBondContact O-CG 3.29Å; F42-L46 PolarHBondContact O-N 3.32Å; F42-A111 HydrophobicContact CD2-CB 3.85Å; F42-A111 HydrophobicContact CE1-CB 4.36Å; F42-A111 HydrophobicContact CE2-CB 3.57Å; F42-A111 WeakPolarHBondContact CE2-O 3.47Å; F42-A111 HydrophobicContact CG-CB 4.36Å; F42-A111 HydrophobicContact CZ-CB 3.82Å
43V81.3Confident78.7Confident13 Ų1361.2 Ų61.28%0.07931%0.307CS..Hα-helixtrans-62.2-44.3176.8169.40000111.2F39 W40 L46 Y47 C66F39-V43 WeakPolarHBondContact O-CG2 3.26Å; F39-V43 PolarHBondContact O-N 2.88Å; W40-V43 PolarHBondContact O-N 2.84Å; W40-V43 VanDerWaalsContact O-N 3.1Å; V43-L46 PolarHBondContact O-N 3.25Å; V43-Y47 VanDerWaalsContact O-CB 3.24Å; V43-Y47 WeakPolarHBondContact O-CB 3.42Å; V43-Y47 PolarHBondContact O-N 2.72Å; V43-C66 HydrophobicContact CG1-CB 3.88Å
44E79.7Confident77.6Confident90 Ų9059.9 Ų59.942%0.42130%0.302SS..Hα-helixtrans-61.9-45.8175.6-73.5-178.9167.700111.7W40 Y47 L48W40-E44 PolarHBondContact NE1-OE1 3.19Å; W40-E44 WeakPolarHBondContact O-CG 3.4Å; W40-E44 PolarHBondContact O-N 3.32Å; E44-Y47 PolarHBondContact O-N 3.35Å; E44-L48 WeakPolarHBondContact O-CG 3.24Å; E44-L48 PolarHBondContact O-N 2.85Å
45G75.7Confident77Confident1 Ų160.9 Ų60.91%0.0131%0.311CS..Hα-helixtrans-61.9-43.9177.400000113M41 F42 L48 L49 L118M41-G45 PolarHBondContact O-N 3.38Å; F42-G45 PolarHBondContact O-N 3.38Å; G45-L48 PolarHBondContact O-N 2.89Å; G45-L49 WeakPolarHBondContact O-CB 3.39Å; G45-L49 PolarHBondContact O-N 2.88Å; G45-L118 WeakPolarHBondContact O-CD1 3.41Å
46L76.4Confident76.4Confident64 Ų6468.7 Ų68.734%0.33534%0.343SS..Hα-helixtrans-64.2-43.3173.7-77.5-176.7000112.1F42 V43 L48 L49 V50 L115F42-L46 HydrophobicContact CD1-CD1 3.94Å; F42-L46 HydrophobicContact CD2-CD1 4.49Å; F42-L46 HydrophobicContact CD2-CG 4.32Å; F42-L46 HydrophobicContact CE1-CD1 3.3Å; F42-L46 HydrophobicContact CE1-CG 4.13Å; F42-L46 HydrophobicContact CE2-CD1 3.91Å; F42-L46 HydrophobicContact CE2-CD2 4.21Å; F42-L46 HydrophobicContact CE2-CG 3.9Å; F42-L46 HydrophobicContact CZ-CD1 3.29Å; F42-L46 HydrophobicContact CZ-CD2 4.24Å; F42-L46 HydrophobicContact CZ-CG 3.82Å; F42-L46 WeakPolarHBondContact O-CB 3.26Å; F42-L46 WeakPolarHBondContact O-CG 3.29Å; F42-L46 PolarHBondContact O-N 3.32Å; V43-L46 PolarHBondContact O-N 3.25Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 3.25Å; L46-L49 PolarHBondContact O-N 2.93Å; L46-V50 WeakPolarHBondContact O-CB 3.41Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.38Å; L46-V50 PolarHBondContact O-N 3.44Å; L46-L115 HydrophobicContact CD2-CD1 4.24Å
47Y77.1Confident75.2Confident89 Ų8974.3 Ų74.335%0.34936%0.363SS..Hα-helixtrans-60.3-43.8179178.9-99000111.2V43 E44 S51V43-Y47 VanDerWaalsContact O-CB 3.24Å; V43-Y47 WeakPolarHBondContact O-CB 3.42Å; V43-Y47 PolarHBondContact O-N 2.72Å; E44-Y47 PolarHBondContact O-N 3.35Å; Y47-S51 WeakPolarHBondContact O-CB 3.44Å; Y47-S51 PolarHBondContact O-N 2.87Å; Y47-S51 PolarHBondContact O-OG 2.85Å
48L74.9Confident74.1Confident86 Ų8680.8 Ų80.845%0.4538%0.377SS..Hα-helixtrans-65.4-45.5174.3-71175.1000112E44 G45 L46 V50 S51 V52E44-L48 WeakPolarHBondContact O-CG 3.24Å; E44-L48 PolarHBondContact O-N 2.85Å; G45-L48 PolarHBondContact O-N 2.89Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 3.25Å; L48-V50 VanDerWaalsContact C-N 3.33Å; L48-V50 PolarHBondContact O-N 2.87Å; L48-S51 PolarHBondContact O-N 3.49Å; L48-V52 WeakPolarHBondContact O-CB 3.44Å; L48-V52 VanDerWaalsContact O-CG2 3.3Å; L48-V52 WeakPolarHBondContact O-CG2 3.33Å; L48-V52 PolarHBondContact O-N 3.43Å
49L74.3Confident73.5Confident74 Ų7487.8 Ų87.839%0.38742%0.415SS..Hα-helixtrans-58.1-47178.4-176.965.2000111.6G45 L46 V52 R53 L115 L118G45-L49 WeakPolarHBondContact O-CB 3.39Å; G45-L49 PolarHBondContact O-N 2.88Å; L46-L49 PolarHBondContact O-N 2.93Å; L49-V52 PolarHBondContact O-N 2.89Å; L49-R53 VanDerWaalsContact O-CB 3.24Å; L49-R53 WeakPolarHBondContact O-CB 3.34Å; L49-R53 PolarHBondContact O-N 2.84Å; L49-L115 HydrophobicContact CD2-CD1 4Å; L49-L118 HydrophobicContact CB-CD1 4.08Å
50V75.2Confident72.4Confident55 Ų5592.4 Ų92.433%0.33344%0.44SS..Hα-helixtrans-67.5-42.3178.9175.30000110.4L46 L48 V52 F54 I61L46-V50 WeakPolarHBondContact O-CB 3.41Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.38Å; L46-V50 PolarHBondContact O-N 3.44Å; L48-V50 VanDerWaalsContact C-N 3.33Å; L48-V50 PolarHBondContact O-N 2.87Å; V50-V52 VanDerWaalsContact C-N 3.35Å; V50-V52 PolarHBondContact O-N 3.41Å; V50-F54 CarbonylContact O-C 3.49Å; V50-F54 VanDerWaalsContact O-CA 3.28Å; V50-F54 WeakPolarHBondContact O-CA 2.91Å; V50-F54 VanDerWaalsContact O-CB 3.23Å; V50-F54 WeakPolarHBondContact O-CB 3.39Å; V50-F54 PolarHBondContact O-N 3.44Å; V50-I61 HydrophobicContact CG1-CD1 3.69Å
51S72.2Confident71.6Confident29 Ų2992.7 Ų92.720%0.20345%0.446CS..Hα-helixtrans-62.9-39.7177.7-62.70000112.7Y47 L48 S55Y47-S51 WeakPolarHBondContact O-CB 3.44Å; Y47-S51 PolarHBondContact O-N 2.87Å; Y47-S51 PolarHBondContact O-OG 2.85Å; L48-S51 PolarHBondContact O-N 3.49Å; S51-S55 VanDerWaalsContact O-CA 3.31Å; S51-S55 WeakPolarHBondContact O-CA 3.49Å; S51-S55 PolarHBondContact O-N 2.81Å
52V73.7Confident71.3Confident123 Ų12393.6 Ų93.675%0.74546%0.456SS*.Hα-helixtrans-74.8-48.71791710000111L48 L49 V50 F54L48-V52 WeakPolarHBondContact O-CB 3.44Å; L48-V52 VanDerWaalsContact O-CG2 3.3Å; L48-V52 WeakPolarHBondContact O-CG2 3.33Å; L48-V52 PolarHBondContact O-N 3.43Å; L49-V52 PolarHBondContact O-N 2.89Å; V50-V52 VanDerWaalsContact C-N 3.35Å; V50-V52 PolarHBondContact O-N 3.41Å; V52-F54 VanDerWaalsContact C-N 3.28Å; V52-F54 PolarHBondContact O-N 2.89Å
53R71.4Confident71.4Confident214 Ų21497.2 Ų97.281%0.80847%0.47SS*.Hα-helixtrans-73.5-25.5-176.5-172.956.6-174.1151.92112.4L49L49-R53 VanDerWaalsContact O-CB 3.24Å; L49-R53 WeakPolarHBondContact O-CB 3.34Å; L49-R53 PolarHBondContact O-N 2.84Å
54F67.2Low71.1Confident95 Ų95101.5 Ų101.542%0.41750%0.496SS..THydrogen-bonded Turntrans-137.364.3-173.2-162.1-123.7000109.9V50 V52 F56 R57V50-F54 CarbonylContact O-C 3.49Å; V50-F54 VanDerWaalsContact O-CA 3.28Å; V50-F54 WeakPolarHBondContact O-CA 2.91Å; V50-F54 VanDerWaalsContact O-CB 3.23Å; V50-F54 WeakPolarHBondContact O-CB 3.39Å; V50-F54 PolarHBondContact O-N 3.44Å; V52-F54 VanDerWaalsContact C-N 3.28Å; V52-F54 PolarHBondContact O-N 2.89Å; F54-F56 PolarHBondContact O-N 3.26Å; F54-R57 HydrophobicContact CD1-CB 3.58Å; F54-R57 HydrophobicContact CD1-CG 3.85Å; F54-R57 HydrophobicContact CE1-CB 3.21Å; F54-R57 VanDerWaalsContact CE1-CD 3.47Å; F54-R57 HydrophobicContact CE1-CG 3.06Å; F54-R57 HydrophobicContact CE2-CG 4.47Å; F54-R57 HydrophobicContact CZ-CB 4.09Å; F54-R57 HydrophobicContact CZ-CG 3.41Å; F54-R57 VanDerWaalsContact CZ-CG 3.41Å; F54-R57 PolarHBondContact O-N 3.17Å
55S68.4Low71.1Confident87 Ų87102.6 Ų102.661%0.60850%0.504SS*.THydrogen-bonded Turntrans-48.3-24.9-180-173.30000113.9S51S51-S55 VanDerWaalsContact O-CA 3.31Å; S51-S55 WeakPolarHBondContact O-CA 3.49Å; S51-S55 PolarHBondContact O-N 2.81Å
56F67.6Low71.4Confident192 Ų192104 Ų10484%0.84251%0.513SS*.THydrogen-bonded Turntrans-94.7-10.5-169.3-152.5-100.6000116.9F54F54-F56 PolarHBondContact O-N 3.26Å
57R61Low71.7Confident126 Ų126101.8 Ų101.848%0.47551%0.505SS..  trans-118.743.5179-55.8-152.4-44.3175-18115.1F54 D59 L60F54-R57 HydrophobicContact CD1-CB 3.58Å; F54-R57 HydrophobicContact CD1-CG 3.85Å; F54-R57 HydrophobicContact CE1-CB 3.21Å; F54-R57 VanDerWaalsContact CE1-CD 3.47Å; F54-R57 HydrophobicContact CE1-CG 3.06Å; F54-R57 HydrophobicContact CE2-CG 4.47Å; F54-R57 HydrophobicContact CZ-CB 4.09Å; F54-R57 HydrophobicContact CZ-CG 3.41Å; F54-R57 VanDerWaalsContact CZ-CG 3.41Å; F54-R57 PolarHBondContact O-N 3.17Å; R57-D59 PolarHBondContact O-N 3.07Å; R57-L60 HydrophobicContact CB-CD1 3.8Å; R57-L60 VanDerWaalsContact CD-CD1 3.43Å; R57-L60 HydrophobicContact CG-CD1 3.9Å; R57-L60 PolarHBondContact O-N 2.81Å
58R60.2Low72.1Confident168 Ų168100.7 Ų100.763%0.63451%0.51SS*.THydrogen-bonded Turntrans-57.8-28.9166.8-68.6-167.1-74.5-160-2.5112.6L60R58-L60 PolarHBondContact O-N 3.35Å
59D66.6Low72.5Confident159 Ų159100.6 Ų100.685%0.8551%0.509SS*.THydrogen-bonded Turntrans-76.4-21.4-175.4-58.9-31.8000114.7R57R57-D59 PolarHBondContact O-N 3.07Å
60L59Low72.9Confident117 Ų11797.1 Ų97.161%0.61349%0.491SS*.THydrogen-bonded Turntrans-88.7-25.3-177.7-78.9111.8000114R57 R58 S62R57-L60 HydrophobicContact CB-CD1 3.8Å; R57-L60 VanDerWaalsContact CD-CD1 3.43Å; R57-L60 HydrophobicContact CG-CD1 3.9Å; R57-L60 PolarHBondContact O-N 2.81Å; R58-L60 PolarHBondContact O-N 3.35Å; L60-S62 PolarHBondContact O-N 3.49Å
61I66.4Low73.6Confident70 Ų70100 Ų10036%0.35950%0.496SS..SBendtrans-9891.3-178.7-59.7177.7000107.3V50 Y63 C66V50-I61 HydrophobicContact CG1-CD1 3.69Å; I61-Y63 PolarHBondContact O-N 3.5Å; I61-Y63 VanDerWaalsContact O-N 3.07Å; I61-C66 WeakPolarHBondContact CG2-SG 3.44Å
62S72.8Confident74.4Confident65 Ų65100.3 Ų100.346%0.45550%0.503SS..  trans-58.3116.3171.31790000108.9L60 T64 L65 C66L60-S62 PolarHBondContact O-N 3.49Å; S62-T64 PolarHBondContact O-N 3.39Å; S62-T64 WeakPolarHBondContact OG-CB 3.49Å; S62-T64 PolarHBondContact OG-N 2.91Å; S62-T64 PolarHBondContact OG-OG1 3.18Å; S62-L65 PolarHBondContact O-N 3Å; S62-C66 PolarHBondContact O-N 3.05Å
63Y77.5Confident75Confident125 Ų12597.8 Ų97.849%0.4949%0.485SS..Hα-helixtrans-50-32.2172177.4-97.1000111.6W40 I61 L65 C66 A67W40-Y63 WeakPolarHBondContact CZ2-OH 3.16Å; I61-Y63 PolarHBondContact O-N 3.5Å; I61-Y63 VanDerWaalsContact O-N 3.07Å; Y63-L65 PolarHBondContact O-N 2.82Å; Y63-C66 PolarHBondContact O-N 2.66Å; Y63-A67 VanDerWaalsContact O-CB 3.31Å; Y63-A67 WeakPolarHBondContact O-CB 3.43Å; Y63-A67 PolarHBondContact O-N 3.43Å
64T77Confident75.8Confident103 Ų10387.6 Ų87.663%0.63245%0.446SS*.Hα-helixtrans-62.1-41.3176.4-47.20000112.7S62 A67 S68S62-T64 PolarHBondContact O-N 3.39Å; S62-T64 WeakPolarHBondContact OG-CB 3.49Å; S62-T64 PolarHBondContact OG-N 2.91Å; S62-T64 PolarHBondContact OG-OG1 3.18Å; T64-A67 PolarHBondContact O-N 3.49Å; T64-S68 PolarHBondContact O-N 3.06Å
65L78.9Confident76.9Confident113 Ų11387.5 Ų87.559%0.59245%0.45SS*.Hα-helixtrans-67.3-44.6177.4-175.766.7000110.3S62 Y63 A67 S68 I69S62-L65 PolarHBondContact O-N 3Å; Y63-L65 PolarHBondContact O-N 2.82Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.44Å; L65-S68 PolarHBondContact O-N 2.93Å; L65-S68 PolarHBondContact O-OG 2.94Å; L65-I69 HydrophobicContact CG-CD1 4.49Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 3.37Å
66C81.7Confident77.9Confident29 Ų2988.3 Ų88.320%0.19645%0.447CS..Hα-helixtrans-59.9-41.8174.2-730000112.3V43 I61 S62 Y63 S68 I69 G70V43-C66 HydrophobicContact CG1-CB 3.88Å; I61-C66 WeakPolarHBondContact CG2-SG 3.44Å; S62-C66 PolarHBondContact O-N 3.05Å; Y63-C66 PolarHBondContact O-N 2.66Å; C66-S68 VanDerWaalsContact C-N 3.32Å; C66-S68 PolarHBondContact O-N 2.86Å; C66-I69 PolarHBondContact O-N 2.83Å; C66-G70 PolarHBondContact O-N 2.83Å
67A82.9Confident78.8Confident19 Ų1980.1 Ų80.116%0.15741%0.412CS..Hα-helixtrans-63.6-37.9175.800000112W40 Y63 T64 L65 G70 W71W40-A67 HydrophobicContact CH2-CB 3.76Å; W40-A67 HydrophobicContact CZ3-CB 3.95Å; Y63-A67 VanDerWaalsContact O-CB 3.31Å; Y63-A67 WeakPolarHBondContact O-CB 3.43Å; Y63-A67 PolarHBondContact O-N 3.43Å; T64-A67 PolarHBondContact O-N 3.49Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.44Å; A67-G70 PolarHBondContact O-N 3.45Å; A67-W71 PolarHBondContact O-N 3.49Å
68S84.3Confident80.1Confident65 Ų6575.1 Ų75.146%0.45539%0.394SS..Hα-helixtrans-65.6-37.4175.676.10000112.5T64 L65 C66 W71 G72T64-S68 PolarHBondContact O-N 3.06Å; L65-S68 PolarHBondContact O-N 2.93Å; L65-S68 PolarHBondContact O-OG 2.94Å; C66-S68 VanDerWaalsContact C-N 3.32Å; C66-S68 PolarHBondContact O-N 2.86Å; S68-W71 PolarHBondContact O-N 3.26Å; S68-G72 WeakPolarHBondContact O-CA 3.45Å; S68-G72 PolarHBondContact O-N 2.92Å
69I83.4Confident81.4Confident85 Ų8570.4 Ų70.444%0.43638%0.384SS..Hα-helixtrans-66.6-42.1174.8-65.5166.6000110.3L65 C66 W71 G72 I73L65-I69 HydrophobicContact CG-CD1 4.49Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 3.37Å; C66-I69 PolarHBondContact O-N 2.83Å; I69-W71 PolarHBondContact O-N 3.32Å; I69-G72 PolarHBondContact O-N 3.26Å; I69-I73 HydrophobicContact CG2-CG1 4.02Å; I69-I73 PolarHBondContact O-N 2.87Å
70G83.7Confident82.5Confident1 Ų165.6 Ų65.61%0.0136%0.36CS..Hα-helixtrans-57.8-33178.500000113.8C66 A67 P74C66-G70 PolarHBondContact O-N 2.83Å; A67-G70 PolarHBondContact O-N 3.45Å; G70-P74 WeakPolarHBondContact O-CD 3.43Å; G70-P74 WeakPolarHBondContact O-CG 3.33Å
71W89.2Confident83.7Confident115 Ų11560.4 Ų60.444%0.43633%0.334SS..Hα-helixtrans-95.5-36176.5-76106.2000114.1Y32 F33 A36 W40 A67 S68 I69 P74 L75Y32-W71 HydrophobicContact CD1-CZ3 4.48Å; Y32-W71 AromaticContact CE1-CE3 3.92Å; Y32-W71 HydrophobicContact CE1-CE3 3.92Å; Y32-W71 AromaticContact CE1-CZ3 3.47Å; Y32-W71 HydrophobicContact CE1-CZ3 3.47Å; Y32-W71 VanDerWaalsContact CE1-CZ3 3.47Å; Y32-W71 HydrophobicContact CE2-CE3 4.45Å; Y32-W71 AromaticContact CZ-CE3 3.54Å; Y32-W71 AromaticContact CZ-CZ3 3.64Å; Y32-W71 WeakPolarHBondContact OH-CZ3 3.46Å; F33-W71 HydrophobicContact CE1-CH2 4.35Å; A36-W71 HydrophobicContact CB-CE3 4.2Å; A36-W71 HydrophobicContact CB-CZ3 4.08Å; W40-W71 AromaticContact CZ3-CD1 3.99Å; W40-W71 AromaticContact CZ3-NE1 3.93Å; A67-W71 PolarHBondContact O-N 3.49Å; S68-W71 PolarHBondContact O-N 3.26Å; I69-W71 PolarHBondContact O-N 3.32Å; W71-P74 WeakPolarHBondContact O-CD 3.15Å; W71-L75 WeakPolarHBondContact O-CB 3.14Å; W71-L75 PolarHBondContact O-N 2.97Å
72G89.7Confident84.6Confident35 Ų3558.4 Ų58.436%0.36133%0.326SS..Hα-helixtrans-68.8-42.3-174.700000113.3S68 I69 L75 L76S68-G72 WeakPolarHBondContact O-CA 3.45Å; S68-G72 PolarHBondContact O-N 2.92Å; I69-G72 PolarHBondContact O-N 3.26Å; G72-L75 PolarHBondContact O-N 3.46Å; G72-L76 WeakPolarHBondContact O-CB 3.34Å; G72-L76 PolarHBondContact O-N 3.3Å
73I86.1Confident85.2Confident70 Ų7057.8 Ų57.836%0.35933%0.325SS..Hα-helixtrans-65.3-49.5178.8-60.1-65.1000111.7F39 I69 L75 L76 L77F39-I73 HydrophobicContact CD1-CB 4.29Å; F39-I73 HydrophobicContact CD1-CG2 4.05Å; F39-I73 HydrophobicContact CE1-CB 4.11Å; F39-I73 HydrophobicContact CE1-CG2 3.39Å; F39-I73 HydrophobicContact CE2-CG2 4.21Å; F39-I73 HydrophobicContact CZ-CG2 3.49Å; F39-I73 VanDerWaalsContact CZ-CG2 3.49Å; I69-I73 HydrophobicContact CG2-CG1 4.02Å; I69-I73 PolarHBondContact O-N 2.87Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 3.25Å; I73-L76 WeakPolarHBondContact O-CB 3.36Å; I73-L76 PolarHBondContact O-N 2.84Å; I73-L77 HydrophobicContact CG2-CD1 3.98Å; I73-L77 HydrophobicContact CG2-CG 4.28Å; I73-L77 WeakPolarHBondContact O-CG 3.31Å; I73-L77 PolarHBondContact O-N 3.1Å
74P89.1Confident85.6Confident0 Ų054.7 Ų54.70%032%0.316CS..Hα-helixtrans-55.7-40.4172.9-24.830.2000113.7Y32 T35 A36 F39 G70 W71 L76 L77 I78Y32-P74 HydrophobicContact CD2-CB 4.14Å; Y32-P74 HydrophobicContact CE2-CB 3.97Å; T35-P74 HydrophobicContact CG2-CB 4.17Å; A36-P74 HydrophobicContact CB-CB 4.07Å; A36-P74 HydrophobicContact CB-CG 4.05Å; F39-P74 HydrophobicContact CB-CG 3.76Å; F39-P74 HydrophobicContact CD2-CB 4.44Å; F39-P74 HydrophobicContact CD2-CG 3.63Å; F39-P74 HydrophobicContact CE2-CG 4.45Å; F39-P74 HydrophobicContact CG-CG 3.81Å; G70-P74 WeakPolarHBondContact O-CD 3.43Å; G70-P74 WeakPolarHBondContact O-CG 3.33Å; W71-P74 WeakPolarHBondContact O-CD 3.15Å; P74-L76 VanDerWaalsContact C-N 3.34Å; P74-L77 PolarHBondContact O-N 3.28Å; P74-I78 WeakPolarHBondContact O-CB 3.41Å; P74-I78 VanDerWaalsContact O-CG1 3.31Å; P74-I78 WeakPolarHBondContact O-CG1 3.47Å; P74-I78 PolarHBondContact O-N 3.38Å
75L89.9Confident85.7Confident93 Ų9350.4 Ų50.449%0.48729%0.289SS..Hα-helixtrans-63-44.3179-171.970.9000110.5Y32 W71 G72 I73 T79Y32-L75 HydrophobicContact CE2-CB 3.97Å; Y32-L75 HydrophobicContact CE2-CD1 4Å; W71-L75 WeakPolarHBondContact O-CB 3.14Å; W71-L75 PolarHBondContact O-N 2.97Å; G72-L75 PolarHBondContact O-N 3.46Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 3.25Å; L75-T79 HydrophobicContact CG-CG2 4.44Å; L75-T79 WeakPolarHBondContact O-CB 3.43Å; L75-T79 WeakPolarHBondContact O-CG2 3.35Å; L75-T79 PolarHBondContact O-N 3.11Å; L75-T79 PolarHBondContact O-OG1 3.41Å
76L88.9Confident85.8Confident105 Ų10548.3 Ų48.355%0.5529%0.287SS..Hα-helixtrans-61.8-46.6176-169.4104.5000111.7G72 I73 P74 I78 T79 V80G72-L76 WeakPolarHBondContact O-CB 3.34Å; G72-L76 PolarHBondContact O-N 3.3Å; I73-L76 WeakPolarHBondContact O-CB 3.36Å; I73-L76 PolarHBondContact O-N 2.84Å; P74-L76 VanDerWaalsContact C-N 3.34Å; L76-I78 PolarHBondContact O-N 2.93Å; L76-T79 WeakPolarHBondContact CA-OG1 3.09Å; L76-T79 PolarHBondContact O-N 2.99Å; L76-T79 PolarHBondContact O-OG1 3.17Å; L76-V80 VanDerWaalsContact O-CG2 3.31Å; L76-V80 WeakPolarHBondContact O-CG2 3.19Å; L76-V80 PolarHBondContact O-N 3.46Å
77L86.8Confident85.9Confident20 Ų2054.8 Ų54.811%0.10532%0.315CS..Hα-helixtrans-63-43.2-179.1-66.1173.7000112.2T35 F39 I73 P74 S81 F104T35-L77 HydrophobicContact CG2-CD1 4.5Å; F39-L77 HydrophobicContact CE2-CD1 3.45Å; F39-L77 VanDerWaalsContact CE2-CD1 3.45Å; F39-L77 HydrophobicContact CZ-CD1 3.52Å; I73-L77 HydrophobicContact CG2-CD1 3.98Å; I73-L77 HydrophobicContact CG2-CG 4.28Å; I73-L77 WeakPolarHBondContact O-CG 3.31Å; I73-L77 PolarHBondContact O-N 3.1Å; P74-L77 PolarHBondContact O-N 3.28Å; L77-S81 VanDerWaalsContact O-CB 3.27Å; L77-S81 WeakPolarHBondContact O-CB 3.22Å; L77-S81 PolarHBondContact O-N 2.89Å; L77-S81 PolarHBondContact O-OG 3.43Å; L77-F104 HydrophobicContact CD2-CB 4.07Å; L77-F104 HydrophobicContact CD2-CD1 3.39Å; L77-F104 HydrophobicContact CD2-CE1 4.15Å; L77-F104 HydrophobicContact CD2-CG 4.02Å
78I87.4Confident85.7Confident20 Ų2057.7 Ų57.710%0.10333%0.331CS..Hα-helixtrans-72.4-39.4179.4-65.6-63.6000111.9I28 K31 Y32 P74 L76 S81 S82I28-I78 HydrophobicContact CG2-CG2 3.77Å; K31-I78 HydrophobicContact CB-CD1 3.87Å; Y32-I78 HydrophobicContact CD2-CG1 4.3Å; P74-I78 WeakPolarHBondContact O-CB 3.41Å; P74-I78 VanDerWaalsContact O-CG1 3.31Å; P74-I78 WeakPolarHBondContact O-CG1 3.47Å; P74-I78 PolarHBondContact O-N 3.38Å; L76-I78 PolarHBondContact O-N 2.93Å; I78-S81 PolarHBondContact O-N 2.91Å; I78-S82 WeakPolarHBondContact O-CB 3.3Å; I78-S82 PolarHBondContact O-N 2.89Å; I78-S82 PolarHBondContact O-OG 3.44Å
79T88.1Confident85.2Confident69 Ų6962.6 Ų62.642%0.42335%0.352SS..Hα-helixtrans-63.1-42.4176.649.20000111.7L75 L76 S82 A83L75-T79 HydrophobicContact CG-CG2 4.44Å; L75-T79 WeakPolarHBondContact O-CB 3.43Å; L75-T79 WeakPolarHBondContact O-CG2 3.35Å; L75-T79 PolarHBondContact O-N 3.11Å; L75-T79 PolarHBondContact O-OG1 3.41Å; L76-T79 WeakPolarHBondContact CA-OG1 3.09Å; L76-T79 PolarHBondContact O-N 2.99Å; L76-T79 PolarHBondContact O-OG1 3.17Å; T79-S82 WeakPolarHBondContact CA-OG 3.37Å; T79-S82 PolarHBondContact O-OG 2.79Å; T79-A83 VanDerWaalsContact O-CB 3.25Å; T79-A83 WeakPolarHBondContact O-CB 3.48Å; T79-A83 PolarHBondContact O-N 3.49Å
80V89Confident84.5Confident58 Ų5861.2 Ų61.235%0.35234%0.343SS..Hα-helixtrans-67.4-45.9175.5176.90000111.3L76 S82 A83 I84 F104L76-V80 VanDerWaalsContact O-CG2 3.31Å; L76-V80 WeakPolarHBondContact O-CG2 3.19Å; L76-V80 PolarHBondContact O-N 3.46Å; V80-S82 PolarHBondContact O-N 3.36Å; V80-A83 PolarHBondContact O-N 3.13Å; V80-I84 HydrophobicContact CG1-CD1 3.79Å; V80-I84 WeakPolarHBondContact O-CG1 3.5Å; V80-I84 PolarHBondContact O-N 2.84Å; V80-I84 VanDerWaalsContact O-N 3.08Å; V80-F104 HydrophobicContact CB-CZ 4.18Å; V80-F104 HydrophobicContact CG1-CE1 4.31Å; V80-F104 HydrophobicContact CG1-CE2 4.15Å; V80-F104 HydrophobicContact CG1-CZ 3.51Å
81S84.8Confident83.8Confident8 Ų870.6 Ų70.66%0.05639%0.387CS..Hα-helixtrans-62.6-41.5179.9-59.20000112.4L77 I78 R85 F104L77-S81 VanDerWaalsContact O-CB 3.27Å; L77-S81 WeakPolarHBondContact O-CB 3.22Å; L77-S81 PolarHBondContact O-N 2.89Å; L77-S81 PolarHBondContact O-OG 3.43Å; I78-S81 PolarHBondContact O-N 2.91Å; S81-R85 WeakPolarHBondContact O-CB 3.38Å; S81-R85 PolarHBondContact O-N 2.9Å; S81-F104 WeakPolarHBondContact OG-CD2 3.47Å; S81-F104 WeakPolarHBondContact OG-CE2 3.15Å
82S85.1Confident83Confident28 Ų2866 Ų6620%0.19638%0.375CS..Hα-helixtrans-69.6-39.1176.858.10000112.5I78 T79 V80 I84 R85 A86 W94I78-S82 WeakPolarHBondContact O-CB 3.3Å; I78-S82 PolarHBondContact O-N 2.89Å; I78-S82 PolarHBondContact O-OG 3.44Å; T79-S82 WeakPolarHBondContact CA-OG 3.37Å; T79-S82 PolarHBondContact O-OG 2.79Å; V80-S82 PolarHBondContact O-N 3.36Å; S82-I84 VanDerWaalsContact C-N 3.34Å; S82-I84 PolarHBondContact O-N 2.92Å; S82-R85 PolarHBondContact O-N 3.34Å; S82-A86 WeakPolarHBondContact O-CB 3.35Å; S82-A86 PolarHBondContact O-N 3.26Å; S82-W94 VanDerWaalsContact O-CH2 3.26Å; S82-W94 WeakPolarHBondContact O-CH2 3.34Å
83A86.2Confident82.2Confident52 Ų5265 Ų6543%0.4336%0.362SS..Hα-helixtrans-65-36.7177.100000112.9T79 V80 Q87T79-A83 VanDerWaalsContact O-CB 3.25Å; T79-A83 WeakPolarHBondContact O-CB 3.48Å; T79-A83 PolarHBondContact O-N 3.49Å; V80-A83 PolarHBondContact O-N 3.13Å; A83-Q87 PolarHBondContact O-NE2 3Å
84I85.1Confident81.6Confident61 Ų6162.5 Ų62.531%0.31335%0.348SS..Hα-helixtrans-74.5-42.4176.4-61.3166.4000110.2V80 S82 A86 Q87 L100V80-I84 HydrophobicContact CG1-CD1 3.79Å; V80-I84 WeakPolarHBondContact O-CG1 3.5Å; V80-I84 PolarHBondContact O-N 2.84Å; V80-I84 VanDerWaalsContact O-N 3.08Å; S82-I84 VanDerWaalsContact C-N 3.34Å; S82-I84 PolarHBondContact O-N 2.92Å; I84-A86 VanDerWaalsContact C-N 3.29Å; I84-A86 PolarHBondContact O-N 3.4Å; I84-Q87 PolarHBondContact O-N 2.83Å; I84-L100 HydrophobicContact CB-CD2 3.82Å; I84-L100 HydrophobicContact CD1-CD2 3.27Å; I84-L100 HydrophobicContact CG1-CD2 4.11Å; I84-L100 HydrophobicContact CG2-CD1 4.12Å; I84-L100 HydrophobicContact CG2-CD2 3.48Å; I84-L100 VanDerWaalsContact CG2-CD2 3.48Å; I84-L100 HydrophobicContact CG2-CG 4.45Å
85R80.4Confident80.5Confident13 Ų1367 Ų675%0.04937%0.373CS..Hα-helixtrans-59.3-38.9173.3-95.6-172.2161.7117.7-1.7112.5S81 S82 Q87 T88 H90 W94 E96 S98 D101S81-R85 WeakPolarHBondContact O-CB 3.38Å; S81-R85 PolarHBondContact O-N 2.9Å; S82-R85 PolarHBondContact O-N 3.34Å; R85-Q87 PolarHBondContact O-N 3.43Å; R85-T88 PolarHBondContact O-N 3.19Å; R85-H90 PolarHBondContact O-NE2 2.92Å; R85-W94 HydrophobicContact CB-CH2 4.11Å; R85-W94 HydrophobicContact CB-CZ2 3.85Å; R85-E96 PolarHBondContact NH2-O 3.42Å; R85-S98 VanDerWaalsContact CZ-OG 3.32Å; R85-S98 PolarHBondContact NH2-OG 3.19Å; R85-D101 IonicContact CZ-OD1 3.18Å; R85-D101 IonicContact CZ-OD2 3.73Å; R85-D101 VanDerWaalsContact NH1-CG 3.26Å; R85-D101 IonicContact NH1-OD1 2.9Å; R85-D101 PolarHBondContact NH1-OD1 3.49Å; R85-D101 IonicContact NH1-OD2 2.77Å; R85-D101 PolarHBondContact NH1-OD2 2.96Å; R85-D101 IonicContact NH2-OD1 2.69Å; R85-D101 IonicContact NH2-OD2 3.97Å; R85-D101 PolarHBondContact NH2-OD2 3.19Å
86A80.5Confident79.6Confident68 Ų6866.5 Ų66.556%0.56237%0.368SS*.THydrogen-bonded Turntrans-56.7-19.717900000114.2S82 I84 W94S82-A86 WeakPolarHBondContact O-CB 3.35Å; S82-A86 PolarHBondContact O-N 3.26Å; I84-A86 VanDerWaalsContact C-N 3.29Å; I84-A86 PolarHBondContact O-N 3.4Å; A86-W94 HydrophobicContact CB-CH2 4.24Å; A86-W94 HydrophobicContact CB-CZ2 4.16Å
87Q83.3Confident78.6Confident165 Ų16564.7 Ų64.777%0.77136%0.362SS*.THydrogen-bonded Turntrans-94.8-6.5178.9-63.1173.16700113.6A83 I84 R85A83-Q87 PolarHBondContact O-NE2 3Å; I84-Q87 PolarHBondContact O-N 2.83Å; R85-Q87 PolarHBondContact O-N 3.43Å
88T79.4Confident77.9Confident81 Ų8164.5 Ų64.550%0.49736%0.363SS..SBendtrans-97.4142.4178.4-46.70000109.2R85 H90R85-T88 PolarHBondContact O-N 3.19Å; T88-H90 PolarHBondContact O-CD2 3.23Å; T88-H90 PolarHBondContact O-NE2 3.36Å
89D73.8Confident77.1Confident167 Ų16768.2 Ų68.289%0.89339%0.388SS*.  trans-68.6132.7173.1-71.5-37.8000110.5
90H68.7Low76.2Confident56 Ų5667.4 Ų67.426%0.25938%0.381SS..  trans-125.5133.1178.5-53.9-75.4000110.3R85 T88 G92 W94R85-H90 PolarHBondContact O-NE2 2.92Å; T88-H90 PolarHBondContact O-CD2 3.23Å; T88-H90 PolarHBondContact O-NE2 3.36Å; H90-G92 VanDerWaalsContact C-N 3.27Å; H90-G92 PolarHBondContact O-N 3.35Å; H90-W94 AromaticContact CD2-CD1 3.66Å; H90-W94 AromaticContact CD2-NE1 3.07Å; H90-W94 PolarHBondContact CD2-NE1 2.91Å; H90-W94 AromaticContact CE1-NE1 3.92Å; H90-W94 AromaticContact CG-CD1 3.67Å; H90-W94 AromaticContact CG-NE1 3.59Å; H90-W94 AromaticContact ND1-CD1 3.98Å; H90-W94 AromaticContact NE2-CD1 3.97Å; H90-W94 AromaticContact NE2-NE1 3.31Å; H90-W94 PolarHBondContact NE2-NE1 3.36Å
91E67.9Low75.5Confident199 Ų19966.2 Ų66.293%0.9337%0.373SS*.SBendtrans-82.8-2.2178.4-67.4-171.9153.800113.4
92G72.1Confident75Confident18 Ų1870.7 Ų70.719%0.18639%0.389CS..SBendtrans-166.2-158.2-177.400000113.5H90H90-G92 VanDerWaalsContact C-N 3.27Å; H90-G92 PolarHBondContact O-N 3.35Å
93C74.5Confident74.6Confident13 Ų1375 Ų759%0.08841%0.408CS..SBendtrans-74.2135.4176.1-174.20000110.5A14 C23 T27 N95A14-C93 HydrophobicContact CB-CB 4.01Å; C23-C93 HydrophobicContact CB-CB 3.9Å; C23-C93 WeakPolarHBondContact CB-SG 3.28Å; C23-C93 PolarHBondContact O-SG 3.49Å; C23-C93 WeakPolarHBondContact SG-CB 3.46Å; C23-C93 CovalentContact SG-SG 2.01Å; C23-C93 PolarHBondContact SG-SG 3.4Å; T27-C93 PolarHBondContact OG1-SG 3.3Å; T27-C93 VanDerWaalsContact OG1-SG 3.33Å; C93-N95 WeakPolarHBondContact O-CB 3.33Å; C93-N95 PolarHBondContact O-N 3.07Å
94W72.4Confident74Confident18 Ų1874.9 Ų74.97%0.06840%0.398CS..SBendtrans-48.446.8-172.6-76.7-4.1000119.5F24 T27 I28 S82 R85 A86 H90F24-W94 HydrophobicContact CD1-CZ3 4.46Å; F24-W94 AromaticContact CD2-CD2 3.45Å; F24-W94 HydrophobicContact CD2-CD2 3.45Å; F24-W94 VanDerWaalsContact CD2-CD2 3.45Å; F24-W94 AromaticContact CD2-CE2 3.64Å; F24-W94 AromaticContact CD2-CE3 3.62Å; F24-W94 HydrophobicContact CD2-CE3 3.62Å; F24-W94 HydrophobicContact CD2-CG 4.03Å; F24-W94 HydrophobicContact CD2-CH2 4.17Å; F24-W94 HydrophobicContact CD2-CZ2 4.02Å; F24-W94 AromaticContact CD2-CZ3 3.98Å; F24-W94 HydrophobicContact CD2-CZ3 3.98Å; F24-W94 HydrophobicContact CE1-CE3 4.27Å; F24-W94 HydrophobicContact CE1-CH2 4.02Å; F24-W94 AromaticContact CE1-CZ3 3.78Å; F24-W94 HydrophobicContact CE1-CZ3 3.78Å; F24-W94 AromaticContact CE2-CD2 3.3Å; F24-W94 HydrophobicContact CE2-CD2 3.3Å; F24-W94 AromaticContact CE2-CE2 3.07Å; F24-W94 AromaticContact CE2-CE3 3.38Å; F24-W94 HydrophobicContact CE2-CE3 3.38Å; F24-W94 HydrophobicContact CE2-CG 4.26Å; F24-W94 AromaticContact CE2-CH2 3.11Å; F24-W94 HydrophobicContact CE2-CH2 3.11Å; F24-W94 AromaticContact CE2-CZ2 3Å; F24-W94 HydrophobicContact CE2-CZ2 3Å; F24-W94 AromaticContact CE2-CZ3 3.29Å; F24-W94 HydrophobicContact CE2-CZ3 3.29Å; F24-W94 AromaticContact CE2-NE1 3.82Å; F24-W94 HydrophobicContact CG-CD2 4.43Å; F24-W94 HydrophobicContact CG-CE3 4.24Å; F24-W94 HydrophobicContact CZ-CD2 4.09Å; F24-W94 AromaticContact CZ-CE2 3.92Å; F24-W94 AromaticContact CZ-CE3 3.71Å; F24-W94 HydrophobicContact CZ-CE3 3.71Å; F24-W94 AromaticContact CZ-CH2 2.97Å; F24-W94 HydrophobicContact CZ-CH2 2.97Å; F24-W94 AromaticContact CZ-CZ2 3.41Å; F24-W94 HydrophobicContact CZ-CZ2 3.41Å; F24-W94 VanDerWaalsContact CZ-CZ2 3.41Å; F24-W94 AromaticContact CZ-CZ3 3.14Å; F24-W94 HydrophobicContact CZ-CZ3 3.14Å; T27-W94 HydrophobicContact CG2-CB 4.08Å; T27-W94 WeakPolarHBondContact CG2-O 3.48Å; I28-W94 HydrophobicContact CD1-CE3 3.98Å; I28-W94 HydrophobicContact CD1-CZ3 3.58Å; I28-W94 HydrophobicContact CG1-CE3 3.84Å; I28-W94 HydrophobicContact CG1-CZ3 3.84Å; S82-W94 VanDerWaalsContact O-CH2 3.26Å; S82-W94 WeakPolarHBondContact O-CH2 3.34Å; R85-W94 HydrophobicContact CB-CH2 4.11Å; R85-W94 HydrophobicContact CB-CZ2 3.85Å; A86-W94 HydrophobicContact CB-CH2 4.24Å; A86-W94 HydrophobicContact CB-CZ2 4.16Å; H90-W94 AromaticContact CD2-CD1 3.66Å; H90-W94 AromaticContact CD2-NE1 3.07Å; H90-W94 PolarHBondContact CD2-NE1 2.91Å; H90-W94 AromaticContact CE1-NE1 3.92Å; H90-W94 AromaticContact CG-CD1 3.67Å; H90-W94 AromaticContact CG-NE1 3.59Å; H90-W94 AromaticContact ND1-CD1 3.98Å; H90-W94 AromaticContact NE2-CD1 3.97Å; H90-W94 AromaticContact NE2-NE1 3.31Å; H90-W94 PolarHBondContact NE2-NE1 3.36Å
95N66.5Low73.4Confident95 Ų9573.1 Ų73.151%0.50839%0.389SS..  trans-104.8-10.9-175.5-142.318.8000111.2C93C93-N95 WeakPolarHBondContact O-CB 3.33Å; C93-N95 PolarHBondContact O-N 3.07Å
96E69.9Low73.2Confident82 Ų8274.2 Ų74.238%0.38341%0.405SS..SBendtrans-67.6127.5178.6-5072.6-142.400109.2R85 S98R85-E96 PolarHBondContact NH2-O 3.42Å; E96-S98 PolarHBondContact O-N 2.83Å
97P69.3Low73Confident67 Ų6774.3 Ų74.344%0.43540%0.4SS..PPolyproline II helixtrans-63.5123.1-179.124.6-32.1000110.5Y102P97-Y102 HydrophobicContact CB-CE2 4.44Å
98S70.9Confident72.4Confident17 Ų1767 Ų6712%0.11937%0.366CS..PPolyproline II helixtrans-99143.9178.367.50000110.5R85 E96 L100 D101 Y102R85-S98 VanDerWaalsContact CZ-OG 3.32Å; R85-S98 PolarHBondContact NH2-OG 3.19Å; E96-S98 PolarHBondContact O-N 2.83Å; S98-L100 PolarHBondContact O-N 2.96Å; S98-L100 VanDerWaalsContact O-N 3.11Å; S98-D101 PolarHBondContact N-OD2 2.98Å; S98-D101 WeakPolarHBondContact O-CB 3.41Å; S98-D101 PolarHBondContact O-N 3.05Å; S98-D101 PolarHBondContact OG-N 3.01Å; S98-D101 PolarHBondContact OG-OD1 3.43Å; S98-D101 PolarHBondContact OG-OD2 2.98Å; S98-Y102 WeakPolarHBondContact O-CD2 3.17Å
99P70.4Confident72.1Confident98 Ų9864.7 Ų64.764%0.63635%0.352SS*.Hα-helixtrans-53.6-31.1174-27.935.5000113.3Y102 I103P99-Y102 WeakPolarHBondContact O-CB 3.19Å; P99-Y102 PolarHBondContact O-N 3.22Å; P99-I103 PolarHBondContact O-N 3.41Å
100L71.1Confident72Confident52 Ų5259.6 Ų59.627%0.27233%0.333SS..Hα-helixtrans-66.9-34.4178-7997000113.7I84 S98 Y102 I103 F104I84-L100 HydrophobicContact CB-CD2 3.82Å; I84-L100 HydrophobicContact CD1-CD2 3.27Å; I84-L100 HydrophobicContact CG1-CD2 4.11Å; I84-L100 HydrophobicContact CG2-CD1 4.12Å; I84-L100 HydrophobicContact CG2-CD2 3.48Å; I84-L100 VanDerWaalsContact CG2-CD2 3.48Å; I84-L100 HydrophobicContact CG2-CG 4.45Å; S98-L100 PolarHBondContact O-N 2.96Å; S98-L100 VanDerWaalsContact O-N 3.11Å; L100-Y102 PolarHBondContact O-N 3.31Å; L100-I103 PolarHBondContact O-N 3.35Å; L100-I103 VanDerWaalsContact O-N 3.1Å; L100-F104 HydrophobicContact CB-CE2 4.48Å; L100-F104 HydrophobicContact CD2-CE2 4.35Å; L100-F104 WeakPolarHBondContact O-CD2 3.26Å; L100-F104 PolarHBondContact O-N 3.31Å
101D73.6Confident72.1Confident33 Ų3358.1 Ų58.118%0.17633%0.331CS..Hα-helixtrans-58-37.5176.2-66.5-36.8000110.5K31 R85 S98 L105K31-D101 IonicContact NZ-OD1 3.59Å; K31-D101 IonicContact NZ-OD2 3.03Å; K31-D101 PolarHBondContact NZ-OD2 3.44Å; R85-D101 IonicContact CZ-OD1 3.18Å; R85-D101 IonicContact CZ-OD2 3.73Å; R85-D101 VanDerWaalsContact NH1-CG 3.26Å; R85-D101 IonicContact NH1-OD1 2.9Å; R85-D101 PolarHBondContact NH1-OD1 3.49Å; R85-D101 IonicContact NH1-OD2 2.77Å; R85-D101 PolarHBondContact NH1-OD2 2.96Å; R85-D101 IonicContact NH2-OD1 2.69Å; R85-D101 IonicContact NH2-OD2 3.97Å; R85-D101 PolarHBondContact NH2-OD2 3.19Å; S98-D101 PolarHBondContact N-OD2 2.98Å; S98-D101 WeakPolarHBondContact O-CB 3.41Å; S98-D101 PolarHBondContact O-N 3.05Å; S98-D101 PolarHBondContact OG-N 3.01Å; S98-D101 PolarHBondContact OG-OD1 3.43Å; S98-D101 PolarHBondContact OG-OD2 2.98Å; D101-L105 VanDerWaalsContact O-CB 3.26Å; D101-L105 WeakPolarHBondContact O-CB 3.3Å; D101-L105 PolarHBondContact O-N 3.5Å
102Y73.4Confident72Confident101 Ų10149.6 Ų49.640%0.39629%0.291SS..Hα-helixtrans-70.4-30.5178.2-64.7-77.9000113.7P97 S98 P99 L100 L105 G106 V131P97-Y102 HydrophobicContact CB-CE2 4.44Å; S98-Y102 WeakPolarHBondContact O-CD2 3.17Å; P99-Y102 WeakPolarHBondContact O-CB 3.19Å; P99-Y102 PolarHBondContact O-N 3.22Å; L100-Y102 PolarHBondContact O-N 3.31Å; Y102-L105 HydrophobicContact CD1-CD2 4.36Å; Y102-L105 WeakPolarHBondContact O-CB 3.22Å; Y102-G106 PolarHBondContact O-N 3.21Å; Y102-V131 HydrophobicContact CD1-CG1 4.45Å; Y102-V131 HydrophobicContact CD1-CG2 4.18Å; Y102-V131 HydrophobicContact CE1-CB 4.27Å; Y102-V131 HydrophobicContact CE1-CG1 3.65Å; Y102-V131 HydrophobicContact CE1-CG2 3.98Å
103I77.6Confident71.7Confident118 Ų11855.1 Ų55.161%0.60531%0.311SS*.Hα-helixtrans-69.6-45.8177.6-63.6171.5000109.9P99 L100 L105 G106 P107P99-I103 PolarHBondContact O-N 3.41Å; L100-I103 PolarHBondContact O-N 3.35Å; L100-I103 VanDerWaalsContact O-N 3.1Å; I103-L105 VanDerWaalsContact C-N 3.27Å; I103-L105 PolarHBondContact O-N 3.04Å; I103-G106 PolarHBondContact O-N 3.4Å; I103-P107 WeakPolarHBondContact O-CD 3.11Å
104F73.3Confident71.3Confident50 Ų5058 Ų5822%0.21934%0.342CS..Hα-helixtrans-74-19.9177.8-66.8-61.4000113.5L77 V80 S81 L100 G106 P107L77-F104 HydrophobicContact CD2-CB 4.07Å; L77-F104 HydrophobicContact CD2-CD1 3.39Å; L77-F104 HydrophobicContact CD2-CE1 4.15Å; L77-F104 HydrophobicContact CD2-CG 4.02Å; V80-F104 HydrophobicContact CB-CZ 4.18Å; V80-F104 HydrophobicContact CG1-CE1 4.31Å; V80-F104 HydrophobicContact CG1-CE2 4.15Å; V80-F104 HydrophobicContact CG1-CZ 3.51Å; S81-F104 WeakPolarHBondContact OG-CD2 3.47Å; S81-F104 WeakPolarHBondContact OG-CE2 3.15Å; L100-F104 HydrophobicContact CB-CE2 4.48Å; L100-F104 HydrophobicContact CD2-CE2 4.35Å; L100-F104 WeakPolarHBondContact O-CD2 3.26Å; L100-F104 PolarHBondContact O-N 3.31Å; F104-G106 VanDerWaalsContact C-N 3.31Å; F104-P107 WeakPolarHBondContact O-CD 3.18Å
105L72.6Confident70.9Confident24 Ų2457.6 Ų57.613%0.12634%0.341CS..Hα-helixtrans-67.8-31.4168.4-18066.4000112.4D101 Y102 I103 V108 V109 L130 V131D101-L105 VanDerWaalsContact O-CB 3.26Å; D101-L105 WeakPolarHBondContact O-CB 3.3Å; D101-L105 PolarHBondContact O-N 3.5Å; Y102-L105 HydrophobicContact CD1-CD2 4.36Å; Y102-L105 WeakPolarHBondContact O-CB 3.22Å; I103-L105 VanDerWaalsContact C-N 3.27Å; I103-L105 PolarHBondContact O-N 3.04Å; L105-V108 WeakPolarHBondContact O-CB 3.09Å; L105-V108 PolarHBondContact O-N 3.26Å; L105-V109 HydrophobicContact CD1-CG2 4.11Å; L105-V109 HydrophobicContact CG-CG2 3.89Å; L105-V109 WeakPolarHBondContact O-CG2 3.31Å; L105-V109 PolarHBondContact O-N 3.47Å; L105-L130 HydrophobicContact CD1-CB 3.72Å; L105-L130 HydrophobicContact CD1-CD1 3.38Å; L105-L130 HydrophobicContact CD1-CG 4.1Å; L105-L130 HydrophobicContact CD2-CB 4.34Å; L105-V131 HydrophobicContact CD2-CG2 3.2Å
106G77Confident70.7Confident36 Ų3659.8 Ų59.837%0.37135%0.346SS..Hα-helixtrans-50.8-51.8179.700000114Y102 I103 F104 V108 V109 A110Y102-G106 PolarHBondContact O-N 3.21Å; I103-G106 PolarHBondContact O-N 3.4Å; F104-G106 VanDerWaalsContact C-N 3.31Å; G106-V108 VanDerWaalsContact C-N 3.33Å; G106-V108 PolarHBondContact O-N 3.45Å; G106-V109 PolarHBondContact O-N 2.79Å; G106-A110 VanDerWaalsContact O-CB 3.3Å; G106-A110 WeakPolarHBondContact O-CB 3.31Å; G106-A110 PolarHBondContact O-N 2.85Å
107P74.4Confident70.1Confident70 Ų7062.1 Ų62.146%0.45537%0.366SS..Hα-helixtrans-56.8-39.7174-28.633.3000114.5I103 F104 A110 A111I103-P107 WeakPolarHBondContact O-CD 3.11Å; F104-P107 WeakPolarHBondContact O-CD 3.18Å; P107-A110 PolarHBondContact O-N 2.75Å; P107-A111 WeakPolarHBondContact O-CB 3.46Å; P107-A111 PolarHBondContact O-N 3.4Å
108V72.6Confident69.7Low11 Ų1161.2 Ų61.27%0.06736%0.357CS..Hα-helixtrans-64-48.4177.3-178.80000109.6F38 F39 L105 G106 A110 A111 L112 L130F38-V108 HydrophobicContact CB-CG1 4.08Å; F38-V108 HydrophobicContact CG-CG1 4.48Å; F39-V108 HydrophobicContact CD2-CG2 4.35Å; F39-V108 HydrophobicContact CE2-CG2 3.45Å; F39-V108 VanDerWaalsContact CE2-CG2 3.45Å; F39-V108 HydrophobicContact CZ-CG2 3.65Å; L105-V108 WeakPolarHBondContact O-CB 3.09Å; L105-V108 PolarHBondContact O-N 3.26Å; G106-V108 VanDerWaalsContact C-N 3.33Å; G106-V108 PolarHBondContact O-N 3.45Å; V108-A110 PolarHBondContact O-N 3.28Å; V108-A111 PolarHBondContact O-N 2.87Å; V108-L112 HydrophobicContact CG1-CD1 3.97Å; V108-L112 WeakPolarHBondContact O-CB 3.16Å; V108-L112 WeakPolarHBondContact O-CG 3.34Å; V108-L112 PolarHBondContact O-N 3.35Å; V108-L130 HydrophobicContact CG1-CD1 4.49Å
109V72.5Confident69.2Low34 Ų3461.2 Ų61.221%0.20636%0.357CS..Hα-helixtrans-62.1-45.2178173.80000110.9L105 G106 L112 F113 V127L105-V109 HydrophobicContact CD1-CG2 4.11Å; L105-V109 HydrophobicContact CG-CG2 3.89Å; L105-V109 WeakPolarHBondContact O-CG2 3.31Å; L105-V109 PolarHBondContact O-N 3.47Å; G106-V109 PolarHBondContact O-N 2.79Å; V109-L112 PolarHBondContact O-N 3.22Å; V109-F113 HydrophobicContact CG1-CD2 3.51Å; V109-F113 HydrophobicContact CG1-CE2 3.4Å; V109-F113 VanDerWaalsContact CG1-CE2 3.4Å; V109-F113 VanDerWaalsContact O-CD2 3.22Å; V109-F113 WeakPolarHBondContact O-CD2 3.43Å; V109-F113 PolarHBondContact O-N 3.46Å; V109-V127 HydrophobicContact CG2-CG1 3.85Å
110A72Confident68.7Low59 Ų5959.9 Ų59.949%0.48835%0.348SS..Hα-helixtrans-63.7-42.6178.500000112.6G106 P107 V108 L112 F113 G114G106-A110 VanDerWaalsContact O-CB 3.3Å; G106-A110 WeakPolarHBondContact O-CB 3.31Å; G106-A110 PolarHBondContact O-N 2.85Å; P107-A110 PolarHBondContact O-N 2.75Å; V108-A110 PolarHBondContact O-N 3.28Å; A110-L112 VanDerWaalsContact C-N 3.3Å; A110-L112 PolarHBondContact O-N 3.16Å; A110-F113 PolarHBondContact O-N 3.39Å; A110-G114 PolarHBondContact O-N 3.41Å
111A69.3Low68.3Low25 Ų2559.1 Ų59.121%0.20734%0.344CS..Hα-helixtrans-60.4-41175.100000111.5F42 P107 V108 G114 L115F42-A111 HydrophobicContact CD2-CB 3.85Å; F42-A111 HydrophobicContact CE1-CB 4.36Å; F42-A111 HydrophobicContact CE2-CB 3.57Å; F42-A111 WeakPolarHBondContact CE2-O 3.47Å; F42-A111 HydrophobicContact CG-CB 4.36Å; F42-A111 HydrophobicContact CZ-CB 3.82Å; P107-A111 WeakPolarHBondContact O-CB 3.46Å; P107-A111 PolarHBondContact O-N 3.4Å; V108-A111 PolarHBondContact O-N 2.87Å; A111-G114 PolarHBondContact O-N 2.93Å; A111-L115 PolarHBondContact O-N 3.45Å
112L66.2Low67.8Low21 Ų2159.9 Ų59.911%0.1135%0.348CS..Hα-helixtrans-72.5-36.2177.6-66.7171.6000113.1V108 V109 A110 L115 F116 V127V108-L112 HydrophobicContact CG1-CD1 3.97Å; V108-L112 WeakPolarHBondContact O-CB 3.16Å; V108-L112 WeakPolarHBondContact O-CG 3.34Å; V108-L112 PolarHBondContact O-N 3.35Å; V109-L112 PolarHBondContact O-N 3.22Å; A110-L112 VanDerWaalsContact C-N 3.3Å; A110-L112 PolarHBondContact O-N 3.16Å; L112-L115 CarbonylContact O-C 3.46Å; L112-L115 PolarHBondContact O-N 3.16Å; L112-F116 PolarHBondContact O-N 2.89Å; L112-V127 HydrophobicContact CD1-CG2 3.38Å
113F67.3Low67.4Low134 Ų13455.3 Ų55.359%0.58833%0.332SS*.Hα-helixtrans-64.6-39.7170.8-89.9-70.6000111.9V109 A110 L115 F116V109-F113 HydrophobicContact CG1-CD2 3.51Å; V109-F113 HydrophobicContact CG1-CE2 3.4Å; V109-F113 VanDerWaalsContact CG1-CE2 3.4Å; V109-F113 VanDerWaalsContact O-CD2 3.22Å; V109-F113 WeakPolarHBondContact O-CD2 3.43Å; V109-F113 PolarHBondContact O-N 3.46Å; A110-F113 PolarHBondContact O-N 3.39Å; F113-L115 PolarHBondContact O-N 3.5Å; F113-F116 WeakPolarHBondContact O-CB 3.41Å; F113-F116 PolarHBondContact O-N 3.2Å
114G65.2Low66.8Low72 Ų7252 Ų5274%0.74232%0.318SS*.Hα-helixtrans-58.5-29.8173.700000112.4A110 A111 F116A110-G114 PolarHBondContact O-N 3.41Å; A111-G114 PolarHBondContact O-N 2.93Å; G114-F116 VanDerWaalsContact C-N 3.33Å
115L64.4Low66.6Low10 Ų1049.7 Ų49.75%0.05231%0.307CS..THydrogen-bonded Turntrans-89.814.6176-151.969.6000113.6L46 L49 A111 L112 F113 V117 L118 C119 L122L46-L115 HydrophobicContact CD2-CD1 4.24Å; L49-L115 HydrophobicContact CD2-CD1 4Å; A111-L115 PolarHBondContact O-N 3.45Å; L112-L115 CarbonylContact O-C 3.46Å; L112-L115 PolarHBondContact O-N 3.16Å; F113-L115 PolarHBondContact O-N 3.5Å; L115-V117 PolarHBondContact O-N 3.13Å; L115-L118 HydrophobicContact CD1-CD1 3.87Å; L115-L118 HydrophobicContact CD1-CG 4.35Å; L115-L118 HydrophobicContact CD2-CB 4.26Å; L115-L118 HydrophobicContact CD2-CD1 4.18Å; L115-L118 HydrophobicContact CG-CB 4Å; L115-L118 HydrophobicContact CG-CD1 4.02Å; L115-L118 HydrophobicContact CG-CG 4.21Å; L115-L118 PolarHBondContact O-N 2.97Å; L115-C119 PolarHBondContact O-N 3.29Å; L115-C119 VanDerWaalsContact O-N 3.13Å; L115-L122 HydrophobicContact CD2-CD1 3.86Å
116F60.9Low66.4Low142 Ų14253.9 Ų53.962%0.62332%0.322SS*.THydrogen-bonded Turntrans-43.8-31.4-175.7-174.3-106.9000114.4L112 F113 G114 L118 C119L112-F116 PolarHBondContact O-N 2.89Å; F113-F116 WeakPolarHBondContact O-CB 3.41Å; F113-F116 PolarHBondContact O-N 3.2Å; G114-F116 VanDerWaalsContact C-N 3.33Å; F116-L118 PolarHBondContact O-N 3.44Å; F116-C119 VanDerWaalsContact CA-CB 3.43Å; F116-C119 WeakPolarHBondContact O-CB 3.5Å; F116-C119 PolarHBondContact O-N 3.04Å
117V58.2Low65.9Low131 Ų13153.7 Ų53.779%0.79431%0.314SS*.THydrogen-bonded Turntrans-68.5-30.1178.1-176.60000113.5L115L115-V117 PolarHBondContact O-N 3.13Å
118L60.3Low65.7Low47 Ų4755.1 Ų55.125%0.24631%0.313CS..THydrogen-bonded Turntrans-98.4-7.2172.1-52.7180000112.9G45 L49 L115 F116 L121 L122G45-L118 WeakPolarHBondContact O-CD1 3.41Å; L49-L118 HydrophobicContact CB-CD1 4.08Å; L115-L118 HydrophobicContact CD1-CD1 3.87Å; L115-L118 HydrophobicContact CD1-CG 4.35Å; L115-L118 HydrophobicContact CD2-CB 4.26Å; L115-L118 HydrophobicContact CD2-CD1 4.18Å; L115-L118 HydrophobicContact CG-CB 4Å; L115-L118 HydrophobicContact CG-CD1 4.02Å; L115-L118 HydrophobicContact CG-CG 4.21Å; L115-L118 PolarHBondContact O-N 2.97Å; F116-L118 PolarHBondContact O-N 3.44Å; L118-L121 WeakPolarHBondContact O-CB 3.39Å; L118-L121 PolarHBondContact O-N 3.28Å; L118-L122 HydrophobicContact CB-CD1 4.34Å; L118-L122 PolarHBondContact O-N 2.76Å
119C60.9Low65.5Low17 Ų1757.6 Ų57.612%0.11533%0.328CS..Hα-helixtrans-60.8-31-169.4-161.70000116.1L115 F116 L121 L122 T124L115-C119 PolarHBondContact O-N 3.29Å; L115-C119 VanDerWaalsContact O-N 3.13Å; F116-C119 VanDerWaalsContact CA-CB 3.43Å; F116-C119 WeakPolarHBondContact O-CB 3.5Å; F116-C119 PolarHBondContact O-N 3.04Å; C119-L121 PolarHBondContact O-N 2.91Å; C119-L122 PolarHBondContact O-N 3.45Å; C119-T124 HydrophobicContact CB-CG2 4.43Å; C119-T124 WeakPolarHBondContact SG-CG2 3.34Å
120P59.2Low65.3Low70 Ų7058.1 Ų58.146%0.45533%0.33SS..Hα-helixtrans-60.6-27.4171.2-21.131.8000112.9
121L64.1Low65.1Low36 Ų3658 Ų5819%0.18832%0.323CS..Hα-helixtrans-85.5-30.6-176-129.570000113.4L118 C119 I158 L161 F162L118-L121 WeakPolarHBondContact O-CB 3.39Å; L118-L121 PolarHBondContact O-N 3.28Å; C119-L121 PolarHBondContact O-N 2.91Å; L121-I158 HydrophobicContact CG-CG1 4.32Å; L121-I158 WeakPolarHBondContact O-CD1 3.26Å; L121-I158 WeakPolarHBondContact O-CG1 3.48Å; L121-L161 HydrophobicContact CD1-CB 3.98Å; L121-L161 HydrophobicContact CD1-CD1 3.17Å; L121-L161 HydrophobicContact CD1-CG 4.18Å; L121-F162 HydrophobicContact CD2-CD2 4.18Å; L121-F162 HydrophobicContact CD2-CE2 3.25Å; L121-F162 HydrophobicContact CD2-CZ 3.67Å; L121-F162 HydrophobicContact CG-CE2 3.83Å
122L62.6Low65.1Low49 Ų4960.2 Ų60.226%0.25734%0.335SS..Hα-helixtrans-112.13.3-163.6-66.7179.1000115.8L115 L118 C119L115-L122 HydrophobicContact CD2-CD1 3.86Å; L118-L122 HydrophobicContact CB-CD1 4.34Å; L118-L122 PolarHBondContact O-N 2.76Å; C119-L122 PolarHBondContact O-N 3.45Å
123G64.7Low65.4Low6 Ų660.5 Ų60.56%0.06234%0.338CS..THydrogen-bonded Turntrans116.748.3163.100000117.1S125 Y126 V127G123-S125 PolarHBondContact O-N 2.93Å; G123-S125 VanDerWaalsContact O-N 3.08Å; G123-Y126 WeakPolarHBondContact O-CA 3.37Å; G123-Y126 WeakPolarHBondContact O-CB 3.37Å; G123-Y126 PolarHBondContact O-N 3.46Å; G123-V127 PolarHBondContact O-N 2.99Å
124T65.9Low65.3Low49 Ų4959.7 Ų59.730%0.30134%0.336SS..Hα-helixtrans-44.2-39.7164.646.80000112.9C119 Y126 V127 F128 Q154C119-T124 HydrophobicContact CB-CG2 4.43Å; C119-T124 WeakPolarHBondContact SG-CG2 3.34Å; T124-Y126 VanDerWaalsContact C-N 3.33Å; T124-Y126 PolarHBondContact O-N 2.83Å; T124-V127 WeakPolarHBondContact O-CB 3.37Å; T124-V127 PolarHBondContact O-N 3.36Å; T124-F128 WeakPolarHBondContact O-CD2 3.21Å; T124-F128 PolarHBondContact O-N 2.94Å; T124-Q154 PolarHBondContact OG1-NE2 3.04Å
125S68.5Low65.6Low0 Ų063.3 Ų63.30%033%0.333CS..Hα-helixtrans-58.4-36.9174.369.50000114.1G123 V127 F128 T129 T151 Q154G123-S125 PolarHBondContact O-N 2.93Å; G123-S125 VanDerWaalsContact O-N 3.08Å; S125-V127 VanDerWaalsContact C-N 3.3Å; S125-F128 WeakPolarHBondContact O-CB 3.27Å; S125-F128 PolarHBondContact O-N 3.37Å; S125-T129 PolarHBondContact O-N 2.81Å; S125-T151 WeakPolarHBondContact CB-OG1 3.39Å; S125-T151 PolarHBondContact OG-OG1 3.41Å; S125-T151 VanDerWaalsContact OG-OG1 3.07Å; S125-Q154 PolarHBondContact OG-NE2 3.25Å; S125-Q154 PolarHBondContact OG-OE1 2.92Å
126Y68.4Low66Low113 Ų11365.4 Ų65.444%0.44335%0.347SS..Hα-helixtrans-71.4-29178.5-79.7-85.5000111.2F38 G123 T124 F128 T129 L130F38-Y126 HydrophobicContact CE1-CG 4.38Å; F38-Y126 HydrophobicContact CZ-CD1 4.28Å; F38-Y126 HydrophobicContact CZ-CG 4.44Å; F38-Y126 VanDerWaalsContact CZ-O 3.28Å; F38-Y126 WeakPolarHBondContact CZ-O 3.4Å; G123-Y126 WeakPolarHBondContact O-CA 3.37Å; G123-Y126 WeakPolarHBondContact O-CB 3.37Å; G123-Y126 PolarHBondContact O-N 3.46Å; T124-Y126 VanDerWaalsContact C-N 3.33Å; T124-Y126 PolarHBondContact O-N 2.83Å; Y126-F128 VanDerWaalsContact C-N 3.28Å; Y126-F128 PolarHBondContact O-N 3.37Å; Y126-T129 WeakPolarHBondContact CA-OG1 3.24Å; Y126-T129 PolarHBondContact O-N 2.85Å; Y126-T129 PolarHBondContact O-OG1 2.71Å; Y126-L130 PolarHBondContact O-N 3.08Å
127V67.3Low66.9Low31 Ų3165.7 Ų65.719%0.18835%0.351CS..Hα-helixtrans-62.8-41171.8-178.80000110.7V109 L112 G123 T124 S125 L130V109-V127 HydrophobicContact CG2-CG1 3.85Å; L112-V127 HydrophobicContact CD1-CG2 3.38Å; G123-V127 PolarHBondContact O-N 2.99Å; T124-V127 WeakPolarHBondContact O-CB 3.37Å; T124-V127 PolarHBondContact O-N 3.36Å; S125-V127 VanDerWaalsContact C-N 3.3Å; V127-L130 WeakPolarHBondContact O-CB 3.36Å; V127-L130 PolarHBondContact O-N 2.99Å
128F68.6Low68Low101 Ų10166.9 Ų66.944%0.44334%0.341SS..Hα-helixtrans-61.1-46.7174.6-71.4-74.9000110.1T124 S125 Y126 L130 V131 F143 T147 L150T124-F128 WeakPolarHBondContact O-CD2 3.21Å; T124-F128 PolarHBondContact O-N 2.94Å; S125-F128 WeakPolarHBondContact O-CB 3.27Å; S125-F128 PolarHBondContact O-N 3.37Å; Y126-F128 VanDerWaalsContact C-N 3.28Å; Y126-F128 PolarHBondContact O-N 3.37Å; F128-L130 PolarHBondContact O-N 2.99Å; F128-V131 CarbonylContact O-C 3.55Å; F128-V131 PolarHBondContact O-N 3.45Å; F128-F143 HydrophobicContact CB-CE1 4.35Å; F128-F143 HydrophobicContact CB-CE2 4.02Å; F128-F143 HydrophobicContact CB-CZ 3.62Å; F128-F143 AromaticContact CD1-CE2 3.87Å; F128-F143 HydrophobicContact CD1-CE2 3.87Å; F128-F143 HydrophobicContact CD1-CZ 4.2Å; F128-F143 HydrophobicContact CG-CE2 4.4Å; F128-F143 HydrophobicContact CG-CZ 4.42Å; F128-F143 WeakPolarHBondContact O-CE1 3.21Å; F128-F143 WeakPolarHBondContact O-CZ 3.28Å; F128-T147 HydrophobicContact CB-CG2 3.6Å; F128-L150 HydrophobicContact CD2-CD1 3.95Å; F128-L150 HydrophobicContact CE2-CD1 4.12Å
129T68.5Low69Low63 Ų6367.4 Ų67.439%0.38734%0.344SS..Hα-helixtrans-59.9-17.5-179.9590000115S125 Y126 P132 T147S125-T129 PolarHBondContact O-N 2.81Å; Y126-T129 WeakPolarHBondContact CA-OG1 3.24Å; Y126-T129 PolarHBondContact O-N 2.85Å; Y126-T129 PolarHBondContact O-OG1 2.71Å; T129-P132 WeakPolarHBondContact O-CD 3.41Å; T129-T147 HydrophobicContact CG2-CG2 3.85Å
130L68.5Low69.9Low45 Ų4568.4 Ų68.424%0.23635%0.349CS..Hα-helixtrans-73.4-23.7173.4-69.6174000114.5V34 F38 L105 V108 Y126 V127 F128 P132V34-L130 HydrophobicContact CG1-CD2 4.05Å; F38-L130 HydrophobicContact CD1-CD1 4.15Å; F38-L130 HydrophobicContact CD2-CD1 3.91Å; F38-L130 HydrophobicContact CD2-CD2 4.04Å; F38-L130 HydrophobicContact CD2-CG 4.34Å; F38-L130 HydrophobicContact CE1-CD1 3.79Å; F38-L130 HydrophobicContact CE1-CG 4.25Å; F38-L130 HydrophobicContact CE2-CD1 3.64Å; F38-L130 HydrophobicContact CE2-CD2 3.4Å; F38-L130 HydrophobicContact CE2-CG 3.63Å; F38-L130 HydrophobicContact CG-CD1 4.19Å; F38-L130 HydrophobicContact CZ-CD1 3.56Å; F38-L130 HydrophobicContact CZ-CD2 3.88Å; F38-L130 HydrophobicContact CZ-CG 3.56Å; L105-L130 HydrophobicContact CD1-CB 3.72Å; L105-L130 HydrophobicContact CD1-CD1 3.38Å; L105-L130 HydrophobicContact CD1-CG 4.1Å; L105-L130 HydrophobicContact CD2-CB 4.34Å; V108-L130 HydrophobicContact CG1-CD1 4.49Å; Y126-L130 PolarHBondContact O-N 3.08Å; V127-L130 WeakPolarHBondContact O-CB 3.36Å; V127-L130 PolarHBondContact O-N 2.99Å; F128-L130 PolarHBondContact O-N 2.99Å; L130-P132 VanDerWaalsContact O-CD 3.26Å; L130-P132 WeakPolarHBondContact O-CD 3.49Å
131V69.1Low70.8Confident57 Ų5769.4 Ų69.435%0.34535%0.35SS..SBendtrans-117.467.7176.2-177.60000109.5Y102 L105 F128 P133 F143Y102-V131 HydrophobicContact CD1-CG1 4.45Å; Y102-V131 HydrophobicContact CD1-CG2 4.18Å; Y102-V131 HydrophobicContact CE1-CB 4.27Å; Y102-V131 HydrophobicContact CE1-CG1 3.65Å; Y102-V131 HydrophobicContact CE1-CG2 3.98Å; L105-V131 HydrophobicContact CD2-CG2 3.2Å; F128-V131 CarbonylContact O-C 3.55Å; F128-V131 PolarHBondContact O-N 3.45Å; V131-P133 VanDerWaalsContact O-CD 3.23Å; V131-P133 WeakPolarHBondContact O-CD 3.09Å; V131-F143 WeakPolarHBondContact O-CE1 3.47Å; V131-F143 WeakPolarHBondContact O-CZ 3.38Å
132P68.4Low71.7Confident71 Ų7171.4 Ų71.446%0.46136%0.364SS..  trans-66.9120.6171.429.2-30.6000107.6T129 L130 H134T129-P132 WeakPolarHBondContact O-CD 3.41Å; L130-P132 VanDerWaalsContact O-CD 3.26Å; L130-P132 WeakPolarHBondContact O-CD 3.49Å; P132-H134 PolarHBondContact O-N 3.26Å
133P71.6Confident72.7Confident27 Ų2770.9 Ų70.918%0.17536%0.359CS..  trans-66.4136.617425.4-30.4000109.6V131 L139 V140 F143V131-P133 VanDerWaalsContact O-CD 3.23Å; V131-P133 WeakPolarHBondContact O-CD 3.09Å; P133-L139 HydrophobicContact CB-CD2 3.03Å; P133-L139 HydrophobicContact CB-CG 4.47Å; P133-L139 HydrophobicContact CG-CD2 3.13Å; P133-L139 HydrophobicContact CG-CG 4.44Å; P133-V140 WeakPolarHBondContact O-CG2 3.32Å; P133-F143 VanDerWaalsContact CD-CD1 3.42Å; P133-F143 VanDerWaalsContact CD-CG 3.42Å; P133-F143 HydrophobicContact CG-CB 3.72Å; P133-F143 HydrophobicContact CG-CD1 4.3Å; P133-F143 HydrophobicContact CG-CD2 4.17Å; P133-F143 HydrophobicContact CG-CG 3.84Å
134H66Low73.5Confident116 Ų11673.6 Ų73.654%0.53738%0.377SS..  trans-94.7-36.5-174.2-166.5-90.4000113.3P132P132-H134 PolarHBondContact O-N 3.26Å
135H71.9Confident74.5Confident148 Ų14878.4 Ų78.469%0.68539%0.391SS*.SBendtrans-140.5144.9177.4-69.3-54.8000111.3
136P73.1Confident75.2Confident55 Ų5582.2 Ų82.236%0.35741%0.411SS..SBendcis-73.7161.1-5.829.7-36.1000113.9W138 L139P136-W138 VanDerWaalsContact C-N 3.26Å; P136-W138 HydrophobicContact CB-CG 4.44Å; P136-W138 HydrophobicContact CG-CD2 4.15Å; P136-W138 HydrophobicContact CG-CG 4.22Å; P136-W138 HydrophobicContact CG-CZ2 3.83Å; P136-W138 PolarHBondContact O-N 2.95Å; P136-L139 HydrophobicContact CG-CB 4.1Å; P136-L139 VanDerWaalsContact O-CB 3.31Å; P136-L139 WeakPolarHBondContact O-CB 3.34Å; P136-L139 PolarHBondContact O-N 3.39Å
137Q78.4Confident75.7Confident147 Ų14777.4 Ų77.469%0.68739%0.393SS*.Hα-helixtrans-57-32.8-175.360-179.4-15.400114.8L139 V140 L141Q137-L139 PolarHBondContact O-N 3.05Å; Q137-V140 WeakPolarHBondContact O-CB 3.4Å; Q137-V140 PolarHBondContact O-N 3.31Å; Q137-L141 PolarHBondContact O-N 2.84Å
138W80.8Confident76.5Confident157 Ų15779.6 Ų79.660%0.59541%0.407SS*.Hα-helixtrans-64.2-32.1176.866.5-104.4000111.4P136 L141 V142P136-W138 VanDerWaalsContact C-N 3.26Å; P136-W138 HydrophobicContact CB-CG 4.44Å; P136-W138 HydrophobicContact CG-CD2 4.15Å; P136-W138 HydrophobicContact CG-CG 4.22Å; P136-W138 HydrophobicContact CG-CZ2 3.83Å; P136-W138 PolarHBondContact O-N 2.95Å; W138-L141 PolarHBondContact O-N 3.24Å; W138-V142 HydrophobicContact CE3-CG2 4.1Å; W138-V142 WeakPolarHBondContact O-CG2 3.22Å; W138-V142 PolarHBondContact O-N 3.49Å
139L81.7Confident77.3Confident58 Ų5879.5 Ų79.530%0.30441%0.41SS..Hα-helixtrans-74.9-33.7-176.6-162.9150.5000110.2P133 P136 Q137 L141 F143P133-L139 HydrophobicContact CB-CD2 3.03Å; P133-L139 HydrophobicContact CB-CG 4.47Å; P133-L139 HydrophobicContact CG-CD2 3.13Å; P133-L139 HydrophobicContact CG-CG 4.44Å; P136-L139 HydrophobicContact CG-CB 4.1Å; P136-L139 VanDerWaalsContact O-CB 3.31Å; P136-L139 WeakPolarHBondContact O-CB 3.34Å; P136-L139 PolarHBondContact O-N 3.39Å; Q137-L139 PolarHBondContact O-N 3.05Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 PolarHBondContact O-N 3.17Å; L139-F143 WeakPolarHBondContact O-CB 3.44Å; L139-F143 PolarHBondContact O-N 2.87Å
140V79.6Confident78Confident37 Ų3779.2 Ų79.222%0.22441%0.405CS..Hα-helixtrans-58.4-45.7168.9-174.20000110.9P133 Q137 F143 S144P133-V140 WeakPolarHBondContact O-CG2 3.32Å; Q137-V140 WeakPolarHBondContact O-CB 3.4Å; Q137-V140 PolarHBondContact O-N 3.31Å; V140-F143 WeakPolarHBondContact O-CB 3.25Å; V140-F143 PolarHBondContact O-N 3.4Å; V140-S144 WeakPolarHBondContact O-CB 3.44Å; V140-S144 PolarHBondContact O-N 2.98Å
141L78.6Confident78.5Confident92 Ų9279.6 Ų79.648%0.48241%0.409SS..Hα-helixtrans-67.5-48.2-177.6-176.768.1000111.5Q137 W138 L139 F143 S144 Y145Q137-L141 PolarHBondContact O-N 2.84Å; W138-L141 PolarHBondContact O-N 3.24Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 PolarHBondContact O-N 3.17Å; L141-F143 VanDerWaalsContact C-N 3.25Å; L141-F143 PolarHBondContact O-N 3.4Å; L141-S144 WeakPolarHBondContact O-CB 3.35Å; L141-S144 PolarHBondContact O-N 2.97Å; L141-S144 VanDerWaalsContact O-N 3.17Å; L141-Y145 HydrophobicContact CD1-CD2 4.15Å; L141-Y145 HydrophobicContact CD1-CE2 3.7Å; L141-Y145 HydrophobicContact CD2-CE2 4.22Å; L141-Y145 HydrophobicContact CG-CD2 3.96Å; L141-Y145 HydrophobicContact CG-CE2 3.74Å; L141-Y145 VanDerWaalsContact O-CD2 3.3Å; L141-Y145 WeakPolarHBondContact O-CD2 3.36Å; L141-Y145 PolarHBondContact O-N 2.95Å
142V83.4Confident79.1Confident77 Ų7780.2 Ų80.247%0.46742%0.417SS..Hα-helixtrans-56.2-46.1175.7170.90000109.8W138 S144 Y145 I146W138-V142 HydrophobicContact CE3-CG2 4.1Å; W138-V142 WeakPolarHBondContact O-CG2 3.22Å; W138-V142 PolarHBondContact O-N 3.49Å; V142-S144 PolarHBondContact O-N 3.44Å; V142-Y145 PolarHBondContact O-N 3.49Å; V142-I146 HydrophobicContact CG1-CG1 4.33Å; V142-I146 VanDerWaalsContact O-CG1 3.29Å; V142-I146 WeakPolarHBondContact O-CG1 3.42Å; V142-I146 PolarHBondContact O-N 3.49Å
143F83.2Confident79.8Confident39 Ų3980 Ų8017%0.17141%0.414CS..Hα-helixtrans-60.5-42.9177.4-166.6-105.1000113.4F128 V131 P133 L139 V140 L141 Y145 I146 T147F128-F143 HydrophobicContact CB-CE1 4.35Å; F128-F143 HydrophobicContact CB-CE2 4.02Å; F128-F143 HydrophobicContact CB-CZ 3.62Å; F128-F143 AromaticContact CD1-CE2 3.87Å; F128-F143 HydrophobicContact CD1-CE2 3.87Å; F128-F143 HydrophobicContact CD1-CZ 4.2Å; F128-F143 HydrophobicContact CG-CE2 4.4Å; F128-F143 HydrophobicContact CG-CZ 4.42Å; F128-F143 WeakPolarHBondContact O-CE1 3.21Å; F128-F143 WeakPolarHBondContact O-CZ 3.28Å; V131-F143 WeakPolarHBondContact O-CE1 3.47Å; V131-F143 WeakPolarHBondContact O-CZ 3.38Å; P133-F143 VanDerWaalsContact CD-CD1 3.42Å; P133-F143 VanDerWaalsContact CD-CG 3.42Å; P133-F143 HydrophobicContact CG-CB 3.72Å; P133-F143 HydrophobicContact CG-CD1 4.3Å; P133-F143 HydrophobicContact CG-CD2 4.17Å; P133-F143 HydrophobicContact CG-CG 3.84Å; L139-F143 WeakPolarHBondContact O-CB 3.44Å; L139-F143 PolarHBondContact O-N 2.87Å; V140-F143 WeakPolarHBondContact O-CB 3.25Å; V140-F143 PolarHBondContact O-N 3.4Å; L141-F143 VanDerWaalsContact C-N 3.25Å; L141-F143 PolarHBondContact O-N 3.4Å; F143-Y145 VanDerWaalsContact C-N 3.33Å; F143-Y145 PolarHBondContact O-N 3.29Å; F143-I146 PolarHBondContact O-N 3.43Å; F143-T147 HydrophobicContact CD1-CG2 4.05Å; F143-T147 HydrophobicContact CE1-CG2 3.86Å; F143-T147 HydrophobicContact CZ-CG2 4.22Å; F143-T147 WeakPolarHBondContact O-CB 3.09Å; F143-T147 WeakPolarHBondContact O-CG2 3.2Å; F143-T147 PolarHBondContact O-N 3.01Å; F143-T147 PolarHBondContact O-OG1 2.98Å
144S81.9Confident80.1Confident62 Ų6279.3 Ų79.343%0.43441%0.409SS..Hα-helixtrans-61.2-40.1175.9-1700000112.3V140 L141 V142 T147 T148V140-S144 WeakPolarHBondContact O-CB 3.44Å; V140-S144 PolarHBondContact O-N 2.98Å; L141-S144 WeakPolarHBondContact O-CB 3.35Å; L141-S144 PolarHBondContact O-N 2.97Å; L141-S144 VanDerWaalsContact O-N 3.17Å; V142-S144 PolarHBondContact O-N 3.44Å; S144-T147 WeakPolarHBondContact CA-OG1 3.26Å; S144-T147 PolarHBondContact O-OG1 3.33Å; S144-T148 WeakPolarHBondContact O-CB 3.44Å; S144-T148 PolarHBondContact O-N 3.01Å; S144-T148 VanDerWaalsContact O-N 3.13Å; S144-T148 PolarHBondContact O-OG1 3.44Å
145Y86.1Confident80.7Confident150 Ų15075.9 Ų75.959%0.58840%0.404SS*.Hα-helixtrans-66.7-47.2175.3-83.5-67000111.8L141 V142 F143 T147 T148 I149L141-Y145 HydrophobicContact CD1-CD2 4.15Å; L141-Y145 HydrophobicContact CD1-CE2 3.7Å; L141-Y145 HydrophobicContact CD2-CE2 4.22Å; L141-Y145 HydrophobicContact CG-CD2 3.96Å; L141-Y145 HydrophobicContact CG-CE2 3.74Å; L141-Y145 VanDerWaalsContact O-CD2 3.3Å; L141-Y145 WeakPolarHBondContact O-CD2 3.36Å; L141-Y145 PolarHBondContact O-N 2.95Å; V142-Y145 PolarHBondContact O-N 3.49Å; F143-Y145 VanDerWaalsContact C-N 3.33Å; F143-Y145 PolarHBondContact O-N 3.29Å; Y145-T147 PolarHBondContact O-N 3.37Å; Y145-T148 PolarHBondContact O-N 2.71Å; Y145-I149 VanDerWaalsContact O-CG1 3.31Å; Y145-I149 WeakPolarHBondContact O-CG1 3.34Å; Y145-I149 PolarHBondContact O-N 3.41Å
146I83.5Confident81.2Confident81 Ų8174.3 Ų74.342%0.41540%0.4SS..Hα-helixtrans-59.1-48.1179.4-66.9-64.6000110.8V142 F143 T148 I149 L150V142-I146 HydrophobicContact CG1-CG1 4.33Å; V142-I146 VanDerWaalsContact O-CG1 3.29Å; V142-I146 WeakPolarHBondContact O-CG1 3.42Å; V142-I146 PolarHBondContact O-N 3.49Å; F143-I146 PolarHBondContact O-N 3.43Å; I146-T148 VanDerWaalsContact C-N 3.33Å; I146-T148 PolarHBondContact O-N 2.83Å; I146-I149 PolarHBondContact O-N 2.83Å; I146-L150 HydrophobicContact CG2-CD1 3.69Å; I146-L150 HydrophobicContact CG2-CG 4.26Å; I146-L150 WeakPolarHBondContact O-CB 3.44Å; I146-L150 WeakPolarHBondContact O-CG 3.17Å; I146-L150 PolarHBondContact O-N 3.39Å
147T79.9Confident81.6Confident11 Ų1175.2 Ų75.27%0.06740%0.401CS..Hα-helixtrans-61.7-39.4178.247.80000112.5F128 T129 F143 S144 Y145 L150 T151F128-T147 HydrophobicContact CB-CG2 3.6Å; T129-T147 HydrophobicContact CG2-CG2 3.85Å; F143-T147 HydrophobicContact CD1-CG2 4.05Å; F143-T147 HydrophobicContact CE1-CG2 3.86Å; F143-T147 HydrophobicContact CZ-CG2 4.22Å; F143-T147 WeakPolarHBondContact O-CB 3.09Å; F143-T147 WeakPolarHBondContact O-CG2 3.2Å; F143-T147 PolarHBondContact O-N 3.01Å; F143-T147 PolarHBondContact O-OG1 2.98Å; S144-T147 WeakPolarHBondContact CA-OG1 3.26Å; S144-T147 PolarHBondContact O-OG1 3.33Å; Y145-T147 PolarHBondContact O-N 3.37Å; T147-L150 PolarHBondContact O-N 3.25Å; T147-T151 WeakPolarHBondContact O-CB 3.21Å; T147-T151 PolarHBondContact O-N 3.07Å; T147-T151 PolarHBondContact O-OG1 2.93Å
148T83.5Confident81.7Confident78 Ų7871.1 Ų71.148%0.47938%0.383SS..Hα-helixtrans-64.8-45.8177-57.90000112S144 Y145 I146 T151 S152S144-T148 WeakPolarHBondContact O-CB 3.44Å; S144-T148 PolarHBondContact O-N 3.01Å; S144-T148 VanDerWaalsContact O-N 3.13Å; S144-T148 PolarHBondContact O-OG1 3.44Å; Y145-T148 PolarHBondContact O-N 2.71Å; I146-T148 VanDerWaalsContact C-N 3.33Å; I146-T148 PolarHBondContact O-N 2.83Å; T148-T151 PolarHBondContact O-N 2.71Å; T148-S152 WeakPolarHBondContact O-CB 3.49Å; T148-S152 PolarHBondContact O-N 3.46Å; T148-S152 PolarHBondContact O-OG 2.92Å
149I85.9Confident81.8Confident99 Ų9966.1 Ų66.151%0.50838%0.376SS..Hα-helixtrans-63.7-45.9177.9-67.2165.6000110.5Y145 I146 T151 S152 T153Y145-I149 VanDerWaalsContact O-CG1 3.31Å; Y145-I149 WeakPolarHBondContact O-CG1 3.34Å; Y145-I149 PolarHBondContact O-N 3.41Å; I146-I149 PolarHBondContact O-N 2.83Å; I149-T151 VanDerWaalsContact C-N 3.34Å; I149-T151 PolarHBondContact O-N 3.4Å; I149-S152 PolarHBondContact O-N 3.27Å; I149-T153 PolarHBondContact O-N 2.82Å; I149-T153 PolarHBondContact O-OG1 2.92Å
150L81.8Confident81.7Confident57 Ų5766.4 Ų66.430%0.29838%0.379SS..Hα-helixtrans-61.3-43.6178.5-71171.4000111.4F128 I146 T147 S152 T153 Q154F128-L150 HydrophobicContact CD2-CD1 3.95Å; F128-L150 HydrophobicContact CE2-CD1 4.12Å; I146-L150 HydrophobicContact CG2-CD1 3.69Å; I146-L150 HydrophobicContact CG2-CG 4.26Å; I146-L150 WeakPolarHBondContact O-CB 3.44Å; I146-L150 WeakPolarHBondContact O-CG 3.17Å; I146-L150 PolarHBondContact O-N 3.39Å; T147-L150 PolarHBondContact O-N 3.25Å; L150-S152 PolarHBondContact O-N 3.49Å; L150-T153 PolarHBondContact O-N 3.46Å; L150-Q154 WeakPolarHBondContact O-CG 3.29Å; L150-Q154 PolarHBondContact O-N 3.08Å
151T79.4Confident81.6Confident52 Ų5268.6 Ų68.632%0.31939%0.389SS..Hα-helixtrans-65.4-39.2178.2-54.70000111.7S125 T147 T148 I149 T153 Q154 G155S125-T151 WeakPolarHBondContact CB-OG1 3.39Å; S125-T151 PolarHBondContact OG-OG1 3.41Å; S125-T151 VanDerWaalsContact OG-OG1 3.07Å; T147-T151 WeakPolarHBondContact O-CB 3.21Å; T147-T151 PolarHBondContact O-N 3.07Å; T147-T151 PolarHBondContact O-OG1 2.93Å; T148-T151 PolarHBondContact O-N 2.71Å; I149-T151 VanDerWaalsContact C-N 3.34Å; I149-T151 PolarHBondContact O-N 3.4Å; T151-T153 VanDerWaalsContact C-N 3.34Å; T151-T153 PolarHBondContact O-N 3.2Å; T151-Q154 PolarHBondContact O-N 3.26Å; T151-G155 PolarHBondContact O-N 3.4Å
152S82.6Confident81.4Confident71 Ų7169.8 Ų69.850%0.49739%0.391SS..Hα-helixtrans-64.3-40.6175.2-56.70000111.7T148 I149 L150 G155 I156T148-S152 WeakPolarHBondContact O-CB 3.49Å; T148-S152 PolarHBondContact O-N 3.46Å; T148-S152 PolarHBondContact O-OG 2.92Å; I149-S152 PolarHBondContact O-N 3.27Å; L150-S152 PolarHBondContact O-N 3.49Å; S152-G155 PolarHBondContact O-N 3.17Å; S152-I156 PolarHBondContact O-N 3.1Å
153T82.1Confident81.1Confident66 Ų6669.4 Ų69.441%0.40539%0.391SS..Hα-helixtrans-67.3-38.3178.2-52.10000111.3I149 L150 T151 G155 I156 L157I149-T153 PolarHBondContact O-N 2.82Å; I149-T153 PolarHBondContact O-OG1 2.92Å; L150-T153 PolarHBondContact O-N 3.46Å; T151-T153 VanDerWaalsContact C-N 3.34Å; T151-T153 PolarHBondContact O-N 3.2Å; T153-G155 PolarHBondContact O-N 3.21Å; T153-I156 PolarHBondContact O-N 3.26Å; T153-L157 HydrophobicContact CG2-CD1 4.12Å; T153-L157 HydrophobicContact CG2-CG 4.37Å; T153-L157 WeakPolarHBondContact O-CG 3.17Å; T153-L157 PolarHBondContact O-N 3.47Å
154Q79.3Confident80.9Confident13 Ų1373.4 Ų73.46%0.06141%0.408CS..Hα-helixtrans-60-44.9174.8-75.8170.12.100112.6T124 S125 L150 T151 I156 L157 I158T124-Q154 PolarHBondContact OG1-NE2 3.04Å; S125-Q154 PolarHBondContact OG-NE2 3.25Å; S125-Q154 PolarHBondContact OG-OE1 2.92Å; L150-Q154 WeakPolarHBondContact O-CG 3.29Å; L150-Q154 PolarHBondContact O-N 3.08Å; T151-Q154 PolarHBondContact O-N 3.26Å; Q154-I156 PolarHBondContact O-N 3Å; Q154-L157 PolarHBondContact O-N 3.4Å; Q154-L157 VanDerWaalsContact O-N 3.13Å; Q154-I158 WeakPolarHBondContact O-CB 3.29Å; Q154-I158 VanDerWaalsContact O-CG1 3.22Å; Q154-I158 WeakPolarHBondContact O-CG1 3.38Å; Q154-I158 PolarHBondContact O-N 3.3Å
155G78.3Confident80.7Confident43 Ų4373.6 Ų73.644%0.44341%0.409SS..Hα-helixtrans-56.1-41.1177.400000112.5T151 S152 T153 A159T151-G155 PolarHBondContact O-N 3.4Å; S152-G155 PolarHBondContact O-N 3.17Å; T153-G155 PolarHBondContact O-N 3.21Å; G155-A159 VanDerWaalsContact O-CB 3.31Å; G155-A159 WeakPolarHBondContact O-CB 3.49Å; G155-A159 PolarHBondContact O-N 3.08Å; G155-A159 VanDerWaalsContact O-N 3.07Å
156I82.5Confident80.2Confident115 Ų11569.4 Ų69.459%0.5940%0.398SS*.Hα-helixtrans-67.4-45.8175.9-62170.2000110.9S152 T153 Q154 A159 V160S152-I156 PolarHBondContact O-N 3.1Å; T153-I156 PolarHBondContact O-N 3.26Å; Q154-I156 PolarHBondContact O-N 3Å; I156-A159 PolarHBondContact O-N 3.47Å; I156-V160 HydrophobicContact CG2-CG2 4.42Å; I156-V160 VanDerWaalsContact O-CG2 3.3Å; I156-V160 WeakPolarHBondContact O-CG2 3.25Å; I156-V160 PolarHBondContact O-N 3.26Å
157L81.6Confident79.8Confident75 Ų7569.9 Ų69.939%0.39341%0.408SS..Hα-helixtrans-64.4-43.8-179.4-70.9174.3000112.5T153 Q154 V160 L161T153-L157 HydrophobicContact CG2-CD1 4.12Å; T153-L157 HydrophobicContact CG2-CG 4.37Å; T153-L157 WeakPolarHBondContact O-CG 3.17Å; T153-L157 PolarHBondContact O-N 3.47Å; Q154-L157 PolarHBondContact O-N 3.4Å; Q154-L157 VanDerWaalsContact O-N 3.13Å; L157-V160 PolarHBondContact O-N 2.93Å; L157-L161 WeakPolarHBondContact O-CB 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 3.42Å
158I81Confident79.9Confident61 Ų6175.9 Ų75.931%0.31344%0.435SS..Hα-helixtrans-60.8-47.6175.4-66166.8000109.6L121 Q154 V160 L161 F162L121-I158 HydrophobicContact CG-CG1 4.32Å; L121-I158 WeakPolarHBondContact O-CD1 3.26Å; L121-I158 WeakPolarHBondContact O-CG1 3.48Å; Q154-I158 WeakPolarHBondContact O-CB 3.29Å; Q154-I158 VanDerWaalsContact O-CG1 3.22Å; Q154-I158 WeakPolarHBondContact O-CG1 3.38Å; Q154-I158 PolarHBondContact O-N 3.3Å; I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 3.48Å; I158-L161 PolarHBondContact O-N 2.89Å; I158-F162 HydrophobicContact CG2-CD2 3.75Å; I158-F162 HydrophobicContact CG2-CE2 4.18Å; I158-F162 WeakPolarHBondContact O-CB 3.47Å; I158-F162 WeakPolarHBondContact O-CD2 3.4Å; I158-F162 PolarHBondContact O-N 3.42Å
159A82.1Confident79.8Confident52 Ų5274.4 Ų74.443%0.4343%0.426SS..Hα-helixtrans-59.2-43.7177.300000111.5G155 I156 C163G155-A159 VanDerWaalsContact O-CB 3.31Å; G155-A159 WeakPolarHBondContact O-CB 3.49Å; G155-A159 PolarHBondContact O-N 3.08Å; G155-A159 VanDerWaalsContact O-N 3.07Å; I156-A159 PolarHBondContact O-N 3.47Å; A159-C163 WeakPolarHBondContact O-CA 3.31Å; A159-C163 WeakPolarHBondContact O-CB 3.44Å; A159-C163 PolarHBondContact O-N 3Å
160V80.2Confident79.7Confident63 Ų6373 Ų7338%0.38242%0.419SS..Iπ-helixtrans-68.1-42.6-179.7171.90000112.4I156 L157 I158 F164 S165I156-V160 HydrophobicContact CG2-CG2 4.42Å; I156-V160 VanDerWaalsContact O-CG2 3.3Å; I156-V160 WeakPolarHBondContact O-CG2 3.25Å; I156-V160 PolarHBondContact O-N 3.26Å; L157-V160 PolarHBondContact O-N 2.93Å; I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 3.48Å; V160-F164 HydrophobicContact CB-CD2 4.3Å; V160-F164 HydrophobicContact CG1-CD2 4.3Å; V160-F164 HydrophobicContact CG2-CD2 4.1Å; V160-F164 HydrophobicContact CG2-CE2 4.43Å; V160-F164 WeakPolarHBondContact O-CA 3.26Å; V160-F164 WeakPolarHBondContact O-CB 3.17Å; V160-F164 PolarHBondContact O-N 3.33Å; V160-S165 PolarHBondContact O-N 2.8Å; V160-S165 VanDerWaalsContact O-N 3.11Å; V160-S165 PolarHBondContact O-OG 3.35Å
161L76.2Confident79.8Confident83 Ų8375.5 Ų75.544%0.43543%0.427SS..Iπ-helixtrans-72.5-43.5-177.9-70.2168.7000112.1L121 L157 I158 S165L121-L161 HydrophobicContact CD1-CB 3.98Å; L121-L161 HydrophobicContact CD1-CD1 3.17Å; L121-L161 HydrophobicContact CD1-CG 4.18Å; L157-L161 WeakPolarHBondContact O-CB 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 3.42Å; I158-L161 PolarHBondContact O-N 2.89Å; L161-S165 WeakPolarHBondContact O-CB 3.37Å; L161-S165 PolarHBondContact O-N 2.84Å
162F74.4Confident80Confident118 Ų11876.4 Ų76.452%0.51844%0.435SS..Iπ-helixtrans-81.8-30.8179.3-79-82.2000114.4L121 I158 N166L121-F162 HydrophobicContact CD2-CD2 4.18Å; L121-F162 HydrophobicContact CD2-CE2 3.25Å; L121-F162 HydrophobicContact CD2-CZ 3.67Å; L121-F162 HydrophobicContact CG-CE2 3.83Å; I158-F162 HydrophobicContact CG2-CD2 3.75Å; I158-F162 HydrophobicContact CG2-CE2 4.18Å; I158-F162 WeakPolarHBondContact O-CB 3.47Å; I158-F162 WeakPolarHBondContact O-CD2 3.4Å; I158-F162 PolarHBondContact O-N 3.42Å; F162-N166 WeakPolarHBondContact O-CB 2.88Å
163C78.4Confident80.2Confident69 Ų6977.5 Ų77.547%0.46644%0.435SS..Iπ-helixtrans-89.1-56.1180-166.80000111.5A159 V169A159-C163 WeakPolarHBondContact O-CA 3.31Å; A159-C163 WeakPolarHBondContact O-CB 3.44Å; A159-C163 PolarHBondContact O-N 3Å; C163-V169 VanDerWaalsContact O-CB 3.29Å; C163-V169 WeakPolarHBondContact O-CB 3.08Å; C163-V169 WeakPolarHBondContact O-CG1 3.23Å; C163-V169 VanDerWaalsContact O-CG2 3.26Å; C163-V169 WeakPolarHBondContact O-CG2 3.36Å
164F78.3Confident80.3Confident123 Ų12380.3 Ų80.354%0.53944%0.441SS..Iπ-helixtrans-85.5-30.8-174-63.4-66000114V160 N166 I170V160-F164 HydrophobicContact CB-CD2 4.3Å; V160-F164 HydrophobicContact CG1-CD2 4.3Å; V160-F164 HydrophobicContact CG2-CD2 4.1Å; V160-F164 HydrophobicContact CG2-CE2 4.43Å; V160-F164 WeakPolarHBondContact O-CA 3.26Å; V160-F164 WeakPolarHBondContact O-CB 3.17Å; V160-F164 PolarHBondContact O-N 3.33Å; F164-N166 VanDerWaalsContact C-N 3.27Å; F164-N166 PolarHBondContact O-N 2.84Å; F164-I170 WeakPolarHBondContact O-CG1 3.39Å
165S77.4Confident80.7Confident65 Ų6585.2 Ų85.246%0.45546%0.462SS..SBendtrans-85-1179.3-420000113.5V160 L161 S167V160-S165 PolarHBondContact O-N 2.8Å; V160-S165 VanDerWaalsContact O-N 3.11Å; V160-S165 PolarHBondContact O-OG 3.35Å; L161-S165 WeakPolarHBondContact O-CB 3.37Å; L161-S165 PolarHBondContact O-N 2.84Å; S165-S167 PolarHBondContact O-N 3.37Å
166N76.3Confident81.2Confident63 Ų6386.5 Ų86.534%0.33747%0.465SS..  trans-66.7128.3174.6-163.6-41.7000109.8F162 F164 E168 V169 I170F162-N166 WeakPolarHBondContact O-CB 2.88Å; F164-N166 VanDerWaalsContact C-N 3.27Å; F164-N166 PolarHBondContact O-N 2.84Å; N166-E168 PolarHBondContact O-N 3.47Å; N166-E168 PolarHBondContact OD1-N 3.03Å; N166-V169 HydrophobicContact CB-CB 4.35Å; N166-V169 HydrophobicContact CB-CG2 4.12Å; N166-V169 PolarHBondContact O-N 2.97Å; N166-I170 WeakPolarHBondContact O-CG1 3.42Å; N166-I170 PolarHBondContact O-N 3.34Å
167S75.4Confident81.5Confident91 Ų9188.2 Ų88.264%0.63647%0.465SS*.Hα-helixtrans-58-32.9-177.853.20000112.2S165 F171S165-S167 PolarHBondContact O-N 3.37Å; S167-F171 VanDerWaalsContact O-CB 3.23Å; S167-F171 WeakPolarHBondContact O-CB 3.49Å; S167-F171 PolarHBondContact O-N 3.39Å
168E82.4Confident81.6Confident137 Ų13785.7 Ų85.764%0.6445%0.453SS*.Hα-helixtrans-66.7-41.5176.1-62.5-177167.900112.3N166 F171 C172N166-E168 PolarHBondContact O-N 3.47Å; N166-E168 PolarHBondContact OD1-N 3.03Å; E168-F171 WeakPolarHBondContact O-CB 3.48Å; E168-F171 PolarHBondContact O-N 2.98Å; E168-C172 WeakPolarHBondContact O-CB 3.08Å; E168-C172 PolarHBondContact O-N 2.82Å; E168-C172 PolarHBondContact O-SG 2.98Å
169V80.5Confident81.9Confident47 Ų4787.4 Ų87.429%0.28546%0.46SS..Hα-helixtrans-70-43.1178.8175.60000110C163 N166 F171 C172 I173C163-V169 VanDerWaalsContact O-CB 3.29Å; C163-V169 WeakPolarHBondContact O-CB 3.08Å; C163-V169 WeakPolarHBondContact O-CG1 3.23Å; C163-V169 VanDerWaalsContact O-CG2 3.26Å; C163-V169 WeakPolarHBondContact O-CG2 3.36Å; N166-V169 HydrophobicContact CB-CB 4.35Å; N166-V169 HydrophobicContact CB-CG2 4.12Å; N166-V169 PolarHBondContact O-N 2.97Å; V169-F171 VanDerWaalsContact C-N 3.27Å; V169-F171 PolarHBondContact O-N 2.72Å; V169-C172 PolarHBondContact O-N 3.13Å; V169-I173 HydrophobicContact CG1-CD1 3.76Å; V169-I173 HydrophobicContact CG1-CG1 4.29Å; V169-I173 WeakPolarHBondContact O-CB 3.43Å; V169-I173 VanDerWaalsContact O-CG1 3.26Å; V169-I173 WeakPolarHBondContact O-CG1 3.5Å; V169-I173 PolarHBondContact O-N 3.18Å
170I83Confident82Confident68 Ų6891 Ų9135%0.34946%0.463SS..Hα-helixtrans-59.3-42.2173.2-64170.7000110.3F164 N166 I173 K174F164-I170 WeakPolarHBondContact O-CG1 3.39Å; N166-I170 WeakPolarHBondContact O-CG1 3.42Å; N166-I170 PolarHBondContact O-N 3.34Å; I170-I173 PolarHBondContact O-N 2.69Å; I170-K174 HydrophobicContact CG2-CD 4.06Å; I170-K174 HydrophobicContact CG2-CG 4.46Å; I170-K174 WeakPolarHBondContact O-CB 3.43Å; I170-K174 VanDerWaalsContact O-CG 3.26Å; I170-K174 WeakPolarHBondContact O-CG 3.29Å; I170-K174 PolarHBondContact O-N 2.94Å
171F84.6Confident82.1Confident110 Ų11091.8 Ų91.848%0.48247%0.465SS..Hα-helixtrans-63.2-46.6176.6179.2-96.3000112S167 E168 V169 K174 K175 F197S167-F171 VanDerWaalsContact O-CB 3.23Å; S167-F171 WeakPolarHBondContact O-CB 3.49Å; S167-F171 PolarHBondContact O-N 3.39Å; E168-F171 WeakPolarHBondContact O-CB 3.48Å; E168-F171 PolarHBondContact O-N 2.98Å; V169-F171 VanDerWaalsContact C-N 3.27Å; V169-F171 PolarHBondContact O-N 2.72Å; F171-K174 PolarHBondContact O-N 3.24Å; F171-K175 WeakPolarHBondContact O-CB 3.3Å; F171-K175 PolarHBondContact O-N 3.4Å; F171-F197 HydrophobicContact CE2-CE1 4.43Å; F171-F197 HydrophobicContact CE2-CZ 4.22Å
172C84.2Confident82.1Confident72 Ų7292.9 Ų92.949%0.48647%0.468SS..Hα-helixtrans-64.4-39.2177.1-79.20000113E168 V169 K175 S176E168-C172 WeakPolarHBondContact O-CB 3.08Å; E168-C172 PolarHBondContact O-N 2.82Å; E168-C172 PolarHBondContact O-SG 2.98Å; V169-C172 PolarHBondContact O-N 3.13Å; C172-K175 PolarHBondContact O-N 3.45Å; C172-S176 WeakPolarHBondContact O-CB 2.91Å; C172-S176 PolarHBondContact O-N 2.69Å; C172-S176 PolarHBondContact O-OG 3.18Å
173I85.7Confident82.5Confident94 Ų9497.2 Ų97.248%0.48248%0.481SS..Hα-helixtrans-64.6-48.3174.4-70.9170000109.8V169 I170 K175 S176 Y177V169-I173 HydrophobicContact CG1-CD1 3.76Å; V169-I173 HydrophobicContact CG1-CG1 4.29Å; V169-I173 WeakPolarHBondContact O-CB 3.43Å; V169-I173 VanDerWaalsContact O-CG1 3.26Å; V169-I173 WeakPolarHBondContact O-CG1 3.5Å; V169-I173 PolarHBondContact O-N 3.18Å; I170-I173 PolarHBondContact O-N 2.69Å; I173-K175 VanDerWaalsContact C-N 3.3Å; I173-K175 PolarHBondContact O-N 2.77Å; I173-S176 PolarHBondContact O-N 2.9Å; I173-Y177 VanDerWaalsContact O-CB 3.29Å; I173-Y177 WeakPolarHBondContact O-CB 3.49Å; I173-Y177 PolarHBondContact O-N 3.23Å
174K85.9Confident82.6Confident125 Ų125102.3 Ų102.354%0.54349%0.49SS..Hα-helixtrans-58.7-42.2176.1-76.6176.6179.1-179.90111.6I170 F171 Y177 S178I170-K174 HydrophobicContact CG2-CD 4.06Å; I170-K174 HydrophobicContact CG2-CG 4.46Å; I170-K174 WeakPolarHBondContact O-CB 3.43Å; I170-K174 VanDerWaalsContact O-CG 3.26Å; I170-K174 WeakPolarHBondContact O-CG 3.29Å; I170-K174 PolarHBondContact O-N 2.94Å; F171-K174 PolarHBondContact O-N 3.24Å; K174-Y177 PolarHBondContact O-N 2.93Å; K174-S178 WeakPolarHBondContact O-CB 3.45Å; K174-S178 PolarHBondContact O-N 3.4Å
175K87.4Confident82.3Confident115 Ų115102.6 Ų102.650%0.549%0.493SS..Hα-helixtrans-64.5-48.4177.2-176.2177.7178.9179.40112F171 C172 I173 Y177 S178 Q179F171-K175 WeakPolarHBondContact O-CB 3.3Å; F171-K175 PolarHBondContact O-N 3.4Å; C172-K175 PolarHBondContact O-N 3.45Å; I173-K175 VanDerWaalsContact C-N 3.3Å; I173-K175 PolarHBondContact O-N 2.77Å; K175-Y177 VanDerWaalsContact C-N 3.29Å; K175-Y177 PolarHBondContact O-N 3.33Å; K175-S178 PolarHBondContact O-N 2.96Å; K175-Q179 WeakPolarHBondContact O-CG 3.43Å; K175-Q179 PolarHBondContact O-N 2.63Å
176S88.1Confident81.6Confident71 Ų71104.5 Ų104.550%0.49750%0.504SS..Hα-helixtrans-61.4-39.7177.1-60.50000111.4C172 I173 Q179 Y180C172-S176 WeakPolarHBondContact O-CB 2.91Å; C172-S176 PolarHBondContact O-N 2.69Å; C172-S176 PolarHBondContact O-OG 3.18Å; I173-S176 PolarHBondContact O-N 2.9Å; S176-Q179 PolarHBondContact O-N 3.11Å; S176-Y180 WeakPolarHBondContact O-CB 2.95Å; S176-Y180 PolarHBondContact O-N 3.35Å
177Y88Confident80.8Confident151 Ų151113 Ų11359%0.59253%0.531SS*.Hα-helixtrans-66.2-42.1175.7-171.1-98.9000112.2I173 K174 K175 Q179 Y180 L181I173-Y177 VanDerWaalsContact O-CB 3.29Å; I173-Y177 WeakPolarHBondContact O-CB 3.49Å; I173-Y177 PolarHBondContact O-N 3.23Å; K174-Y177 PolarHBondContact O-N 2.93Å; K175-Y177 VanDerWaalsContact C-N 3.29Å; K175-Y177 PolarHBondContact O-N 3.33Å; Y177-Q179 VanDerWaalsContact C-N 3.35Å; Y177-Q179 PolarHBondContact O-N 3.46Å; Y177-Y180 PolarHBondContact O-N 2.86Å; Y177-L181 WeakPolarHBondContact O-CB 3.19Å; Y177-L181 PolarHBondContact O-N 3.44Å
178S84.3Confident80Confident22 Ų22119.7 Ų119.715%0.15454%0.542CS..Hα-helixtrans-59.5-45.6173.8-169.60000111.3K174 K175 Y180 L181 E182K174-S178 WeakPolarHBondContact O-CB 3.45Å; K174-S178 PolarHBondContact O-N 3.4Å; K175-S178 PolarHBondContact O-N 2.96Å; S178-Y180 VanDerWaalsContact C-N 3.34Å; S178-Y180 PolarHBondContact O-N 2.91Å; S178-L181 PolarHBondContact O-N 3.34Å; S178-E182 WeakPolarHBondContact O-CG 2.9Å; S178-E182 PolarHBondContact O-N 2.97Å
179Q87.6Confident78.9Confident96 Ų96117.2 Ų117.245%0.44954%0.539SS..Hα-helixtrans-65.6-36.3177.3-71.2-179.6-22.900112.5K175 S176 Y177 R183K175-Q179 WeakPolarHBondContact O-CG 3.43Å; K175-Q179 PolarHBondContact O-N 2.63Å; S176-Q179 PolarHBondContact O-N 3.11Å; Y177-Q179 VanDerWaalsContact C-N 3.35Å; Y177-Q179 PolarHBondContact O-N 3.46Å; Q179-R183 WeakPolarHBondContact O-CG 3.45Å; Q179-R183 PolarHBondContact O-N 2.99Å
180Y83.4Confident77.9Confident128 Ų128119.6 Ų119.650%0.50256%0.558SS.*Hα-helixtrans-67.6-43.9174-177.5-93.3000111.7S176 Y177 S178 E182 R183 W184S176-Y180 WeakPolarHBondContact O-CB 2.95Å; S176-Y180 PolarHBondContact O-N 3.35Å; Y177-Y180 PolarHBondContact O-N 2.86Å; S178-Y180 VanDerWaalsContact C-N 3.34Å; S178-Y180 PolarHBondContact O-N 2.91Å; Y180-E182 VanDerWaalsContact C-N 3.32Å; Y180-E182 PolarHBondContact O-N 3.33Å; Y180-R183 WeakPolarHBondContact O-CB 3.24Å; Y180-R183 PolarHBondContact O-N 3.07Å; Y180-W184 AromaticContact CD1-CD1 3.92Å; Y180-W184 AromaticContact CE1-CD1 3.42Å; Y180-W184 VanDerWaalsContact CE1-CD1 3.42Å; Y180-W184 HydrophobicContact CE1-CG 4.34Å; Y180-W184 AromaticContact CE1-NE1 3.64Å; Y180-W184 AromaticContact CE2-CD1 3.8Å; Y180-W184 AromaticContact CE2-NE1 3.48Å; Y180-W184 AromaticContact CZ-CD1 3.36Å; Y180-W184 AromaticContact CZ-NE1 3.07Å; Y180-W184 PolarHBondContact O-N 2.93Å; Y180-W184 PolarHBondContact OH-NE1 2.61Å
181L83.6Confident76.9Confident79 Ų79120.8 Ų120.841%0.41457%0.573SS.*Hα-helixtrans-62.8-39.3177.4-173.566.5000111.3Y177 S178 R183 W184 H185Y177-L181 WeakPolarHBondContact O-CB 3.19Å; Y177-L181 PolarHBondContact O-N 3.44Å; S178-L181 PolarHBondContact O-N 3.34Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.31Å; L181-W184 PolarHBondContact O-N 3.03Å; L181-H185 PolarHBondContact O-N 2.88Å
182E75Confident75.7Confident106 Ų106119.8 Ų119.850%0.49558%0.578SS.*Hα-helixtrans-61.1-39.8173.1-77175.2-175.500112.6S178 Y180 W184 H185S178-E182 WeakPolarHBondContact O-CG 2.9Å; S178-E182 PolarHBondContact O-N 2.97Å; Y180-E182 VanDerWaalsContact C-N 3.32Å; Y180-E182 PolarHBondContact O-N 3.33Å; E182-W184 VanDerWaalsContact C-N 3.31Å; E182-W184 PolarHBondContact O-N 2.01Å; E182-H185 CarbonylContact O-C 3.42Å
183R82.7Confident74.6Confident209 Ų209121.3 Ų121.379%0.78957%0.574SS**Hα-helixtrans-63.4-36175.7-75.5176.6-178.5176.51.5112.5Q179 Y180 L181Q179-R183 WeakPolarHBondContact O-CG 3.45Å; Q179-R183 PolarHBondContact O-N 2.99Å; Y180-R183 WeakPolarHBondContact O-CB 3.24Å; Y180-R183 PolarHBondContact O-N 3.07Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.31Å
184W80.2Confident73.6Confident176 Ų176123.3 Ų123.367%0.66758%0.583SS**Hα-helixtrans-87.9-27.2-179.5-82.292.6000114.2Y180 L181 E182 P186Y180-W184 AromaticContact CD1-CD1 3.92Å; Y180-W184 AromaticContact CE1-CD1 3.42Å; Y180-W184 VanDerWaalsContact CE1-CD1 3.42Å; Y180-W184 HydrophobicContact CE1-CG 4.34Å; Y180-W184 AromaticContact CE1-NE1 3.64Å; Y180-W184 AromaticContact CE2-CD1 3.8Å; Y180-W184 AromaticContact CE2-NE1 3.48Å; Y180-W184 AromaticContact CZ-CD1 3.36Å; Y180-W184 AromaticContact CZ-NE1 3.07Å; Y180-W184 PolarHBondContact O-N 2.93Å; Y180-W184 PolarHBondContact OH-NE1 2.61Å; L181-W184 PolarHBondContact O-N 3.03Å; E182-W184 VanDerWaalsContact C-N 3.31Å; E182-W184 PolarHBondContact O-N 2.01Å; W184-P186 VanDerWaalsContact C-CD 3.49Å; W184-P186 WeakPolarHBondContact O-CD 3.31Å
185H73.9Confident72.7Confident130 Ų130125.1 Ų125.160%0.60259%0.591SS**  trans-125.573.9177.5-87.8-69.4000112.2L181 E182 R187L181-H185 PolarHBondContact O-N 2.88Å; E182-H185 CarbonylContact O-C 3.42Å; H185-R187 PolarHBondContact O-N 3.23Å
186P61.6Low71.8Confident105 Ų105124.4 Ų124.468%0.68259%0.592SS**THydrogen-bonded Turntrans-68.3-6.7-173.622.1-31.7000116.1W184W184-P186 VanDerWaalsContact C-CD 3.49Å; W184-P186 WeakPolarHBondContact O-CD 3.31Å
187R59.4Low70.7Confident242 Ų242125.1 Ų125.191%0.91359%0.587SS**THydrogen-bonded Turntrans-143.517.3-169.6-70.9-155.7-178-144.44.5119.4H185H185-R187 PolarHBondContact O-N 3.23Å
188R58.3Low69.6Low230 Ų230119.6 Ų119.687%0.86858%0.576SS**SBendtrans-127.4114.5165.9-98.6174178.7161.7-0.4109
189C59.5Low68.9Low85 Ų85121.4 Ų121.457%0.57459%0.588SS**  trans94.226.1164.9-1320000120.2S191 C192 Y193C189-S191 PolarHBondContact O-N 2.99Å; C189-C192 VanDerWaalsContact SG-CB 3.52Å; C189-Y193 WeakPolarHBondContact O-CB 3.33Å; C189-Y193 PolarHBondContact O-N 3.45Å
190S59Low67.7Low98 Ų98121.5 Ų121.569%0.68559%0.591SS**Hα-helixtrans-63.3-37.8170.1174.20000113
191S61.9Low66.6Low93 Ų93117.8 Ų117.865%0.6558%0.584SS**Hα-helixtrans-79-30-174.3-170.20000114.5C189C189-S191 PolarHBondContact O-N 2.99Å
192C60.6Low65.5Low88 Ų88119.8 Ų119.860%0.59559%0.591SS**Hα-helixtrans-85.9-35.2-179-143.20000112.3C189 L196C189-C192 VanDerWaalsContact SG-CB 3.52Å; C192-L196 PolarHBondContact O-N 3.43Å
193Y59.9Low64.6Low105 Ų105119 Ų11941%0.41259%0.591SS.*Hα-helixtrans-73-41.7-174.2-173.9-99.4000113.7C189 K195 L196 F197C189-Y193 WeakPolarHBondContact O-CB 3.33Å; C189-Y193 PolarHBondContact O-N 3.45Å; Y193-K195 VanDerWaalsContact C-N 3.3Å; Y193-K195 PolarHBondContact O-N 2.91Å; Y193-L196 PolarHBondContact O-N 2.88Å; Y193-F197 PolarHBondContact O-N 3.48Å
194M64.7Low63.1Low136 Ų136112.2 Ų112.267%0.6758%0.575SS**Hα-helixtrans-62.6-36.5175-93.7178.3175.500112.5G198M194-G198 PolarHBondContact O-N 3.17Å
195K68.6Low61.8Low162 Ų162112 Ų11270%0.70457%0.574SS**Hα-helixtrans-63.8-42173.9-77.1-177.6176.9179.80111.7Y193 S199Y193-K195 VanDerWaalsContact C-N 3.3Å; Y193-K195 PolarHBondContact O-N 2.91Å; K195-S199 PolarHBondContact O-N 2.96Å; K195-S199 VanDerWaalsContact O-N 3.14Å; K195-S199 PolarHBondContact O-OG 3.48Å
196L66.8Low60.5Low100 Ų100112.7 Ų112.752%0.52458%0.578SS.*Hα-helixtrans-68.1-42.6178.2-169.767.6000112.2C192 Y193 G198 S199 L200C192-L196 PolarHBondContact O-N 3.43Å; Y193-L196 PolarHBondContact O-N 2.88Å; L196-G198 VanDerWaalsContact C-N 3.34Å; L196-G198 PolarHBondContact O-N 3.38Å; L196-S199 WeakPolarHBondContact CA-OG 3.47Å; L196-S199 PolarHBondContact O-N 2.98Å; L196-S199 PolarHBondContact O-OG 3.47Å; L196-L200 HydrophobicContact CG-CD1 4.32Å; L196-L200 PolarHBondContact O-N 3.17Å
197F66.1Low60.1Low86 Ų86113.1 Ų113.138%0.37758%0.579SS.*Hα-helixtrans-65.3-37.9177.9-162.7-91.7000112.2F171 Y193 L200 S201F171-F197 HydrophobicContact CE2-CE1 4.43Å; F171-F197 HydrophobicContact CE2-CZ 4.22Å; Y193-F197 PolarHBondContact O-N 3.48Å; F197-L200 PolarHBondContact O-N 2.89Å; F197-S201 PolarHBondContact O-N 3.13Å; F197-S201 VanDerWaalsContact O-N 3.08Å
198G64.8Low59.3Low35 Ų35107.3 Ų107.336%0.36157%0.57SS.*Hα-helixtrans-57.2-49.4170.600000112.2M194 L196 L200 S201 E202M194-G198 PolarHBondContact O-N 3.17Å; L196-G198 VanDerWaalsContact C-N 3.34Å; L196-G198 PolarHBondContact O-N 3.38Å; G198-L200 VanDerWaalsContact C-N 3.32Å; G198-L200 PolarHBondContact O-N 3.43Å; G198-S201 PolarHBondContact O-N 3.11Å; G198-E202 PolarHBondContact O-N 3.06Å; G198-E202 VanDerWaalsContact O-N 3.16Å
199S68.7Low58.9Low60 Ų60105.4 Ų105.442%0.4259%0.59SS.*Hα-helixtrans-63.5-33.317965.50000113.9K195 L196 N203K195-S199 PolarHBondContact O-N 2.96Å; K195-S199 VanDerWaalsContact O-N 3.14Å; K195-S199 PolarHBondContact O-OG 3.48Å; L196-S199 WeakPolarHBondContact CA-OG 3.47Å; L196-S199 PolarHBondContact O-N 2.98Å; L196-S199 PolarHBondContact O-OG 3.47Å; S199-N203 PolarHBondContact O-N 3.47Å; S199-N203 VanDerWaalsContact O-N 3.15Å
200L62.4Low58.8Low99 Ų99106.5 Ų106.552%0.51859%0.591SS.*Hα-helixtrans-72-35.7176-79.9161.9000112.6L196 F197 G198 E202 N203 S204L196-L200 HydrophobicContact CG-CD1 4.32Å; L196-L200 PolarHBondContact O-N 3.17Å; F197-L200 PolarHBondContact O-N 2.89Å; G198-L200 VanDerWaalsContact C-N 3.32Å; G198-L200 PolarHBondContact O-N 3.43Å; L200-E202 VanDerWaalsContact C-N 3.35Å; L200-N203 PolarHBondContact O-N 2.87Å; L200-S204 PolarHBondContact O-N 2.84Å; L200-S204 PolarHBondContact O-OG 3.3Å
201S61.5Low58.8Low50 Ų50106.9 Ų106.935%0.3559%0.586SS.*Hα-helixtrans-73.3-24.7177.6-179.30000113.5F197 G198 S204 R205F197-S201 PolarHBondContact O-N 3.13Å; F197-S201 VanDerWaalsContact O-N 3.08Å; G198-S201 PolarHBondContact O-N 3.11Å; S201-S204 PolarHBondContact O-OG 3.35Å; S201-R205 PolarHBondContact O-NE 3.17Å
202E60.3Low58.6Low120 Ų120107.7 Ų107.756%0.56158%0.582SS**Hα-helixtrans-73.9-46.9167.9-83.3174.6144.900110.7G198 L200 S204 R205 E206G198-E202 PolarHBondContact O-N 3.06Å; G198-E202 VanDerWaalsContact O-N 3.16Å; L200-E202 VanDerWaalsContact C-N 3.35Å; E202-S204 VanDerWaalsContact C-N 3.31Å; E202-S204 PolarHBondContact O-N 3.33Å; E202-R205 PolarHBondContact O-N 3.35Å; E202-E206 PolarHBondContact O-N 3.44Å
203N56.6Low58.5Low90 Ų90108.8 Ų108.848%0.48158%0.581SS.*Hα-helixtrans-62.8-34.4-179.1-160.427.1000113.1S199 L200 R205 E206 T207S199-N203 PolarHBondContact O-N 3.47Å; S199-N203 VanDerWaalsContact O-N 3.15Å; L200-N203 PolarHBondContact O-N 2.87Å; N203-R205 VanDerWaalsContact C-N 3.29Å; N203-R205 PolarHBondContact O-N 2.92Å; N203-E206 PolarHBondContact O-N 3.25Å; N203-T207 PolarHBondContact O-N 3.3Å; N203-T207 PolarHBondContact O-OG1 3.21Å
204S51Low58.4Low66 Ų66109.1 Ų109.146%0.46259%0.592SS.*Hα-helixtrans-69.1-24.9174.763.90000113.7L200 S201 E202 T208L200-S204 PolarHBondContact O-N 2.84Å; L200-S204 PolarHBondContact O-OG 3.3Å; S201-S204 PolarHBondContact O-OG 3.35Å; E202-S204 VanDerWaalsContact C-N 3.31Å; E202-S204 PolarHBondContact O-N 3.33Å; S204-T208 PolarHBondContact O-OG1 3.38Å; S204-T208 VanDerWaalsContact O-OG1 3.09Å
205R51.5Low58Low172 Ų172107.3 Ų107.365%0.64959%0.587SS**Hα-helixtrans-78.5-28.9173.4-81-177.6-80158.9-3.6111.5S201 E202 N203S201-R205 PolarHBondContact O-NE 3.17Å; E202-R205 PolarHBondContact O-N 3.35Å; N203-R205 VanDerWaalsContact C-N 3.29Å; N203-R205 PolarHBondContact O-N 2.92Å
206E48.3Very low57.3Low145 Ų145103.4 Ų103.468%0.67858%0.578SS**Hα-helixtrans-76.7-26.7176.5-68-175.9148.200113.5E202 N203 T208E202-E206 PolarHBondContact O-N 3.44Å; N203-E206 PolarHBondContact O-N 3.25Å; E206-T208 VanDerWaalsContact C-N 3.28Å; E206-T208 PolarHBondContact O-N 3.33Å
207T51.4Low56.5Low114 Ų114103.6 Ų103.670%0.69958%0.583SS**THydrogen-bonded Turntrans-83.15.9179.913.50000115N203N203-T207 PolarHBondContact O-N 3.3Å; N203-T207 PolarHBondContact O-OG1 3.21Å
208T43.2Very low55.7Low120 Ų120105.1 Ų105.174%0.73660%0.6SS**THydrogen-bonded Turntrans-105.625.8-180-25.40000113.7S204 E206S204-T208 PolarHBondContact O-OG1 3.38Å; S204-T208 VanDerWaalsContact O-OG1 3.09Å; E206-T208 VanDerWaalsContact C-N 3.28Å; E206-T208 PolarHBondContact O-N 3.33Å
209C49.2Very low54.9Low190 Ų190111.5 Ų111.5100%1.28462%0.622SS**  trans-85.40168.8-73.80000111.7

Retrieved 209 of 209 residues in 332.9 ms (Link to these results)

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