A0A077ZAD3_TRITR Loading...

Mitochondrial fission 1 protein

AlphaFold DB , UniProt , Accession A0A077ZAD3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M52.6Low57.1Low123 Ų12373.2 Ų73.261%0.60638%0.38SS*.  0145.80-78.3168.3149.500109D119 F123M1-D119 HydrophobicContact CE-CB 4.42Å; M1-F123 HydrophobicContact CE-CE2 4.1Å; M1-F123 HydrophobicContact CE-CZ 4.2Å
2P54.7Low56.2Low49 Ų4971 Ų7132%0.31837%0.372SS..  trans-65.5160.7176.217.3-16000111.8I7P2-I7 HydrophobicContact CB-CD1 4.43Å; P2-I7 HydrophobicContact CB-CG1 4.26Å; P2-I7 HydrophobicContact CG-CD1 3.8Å; P2-I7 HydrophobicContact CG-CG1 3.9Å
3A59.5Low54.8Low64 Ų6473.3 Ų73.353%0.52939%0.385SS..  trans-59.1141.3179.100000111.1D5 S6 I7A3-D5 PolarHBondContact O-N 3.08Å; A3-S6 PolarHBondContact O-N 3.28Å; A3-S6 PolarHBondContact O-OG 3.45Å; A3-I7 PolarHBondContact O-N 2.66Å
4V62Low53.5Low4 Ų474.4 Ų74.42%0.02440%0.398CS..Hα-helixtrans-49.9-47.6-179.7170.40000111.2S6 I7 I8 Y122 L157 V160V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.48Å; V4-I7 PolarHBondContact O-N 2.84Å; V4-I8 HydrophobicContact CG1-CD1 3.37Å; V4-I8 HydrophobicContact CG1-CG1 4.31Å; V4-I8 WeakPolarHBondContact O-CG1 3.28Å; V4-I8 PolarHBondContact O-N 3.34Å; V4-I8 VanDerWaalsContact O-N 3.1Å; V4-Y122 WeakPolarHBondContact CG2-OH 3.46Å; V4-L157 HydrophobicContact CG1-CB 4.48Å; V4-L157 HydrophobicContact CG1-CD1 3.54Å; V4-L157 HydrophobicContact CG2-CB 4.41Å; V4-V160 HydrophobicContact CG1-CB 4.17Å; V4-V160 HydrophobicContact CG1-CG1 4.27Å; V4-V160 HydrophobicContact CG1-CG2 3.95Å
5D60.4Low52.5Low87 Ų8779.3 Ų79.347%0.46542%0.418SS..Hα-helixtrans-64.2-32.9-177.4-84.7-29000113.4A3 I7 D9 R164A3-D5 PolarHBondContact O-N 3.08Å; D5-I7 VanDerWaalsContact C-N 3.31Å; D5-I7 PolarHBondContact O-N 3.25Å; D5-D9 PolarHBondContact O-N 3.35Å; D5-D9 VanDerWaalsContact O-N 3.17Å; D5-R164 IonicContact OD1-NH1 3.58Å
6S61.4Low51.5Low60 Ų6079.8 Ų79.842%0.4242%0.418SS..Hα-helixtrans-72.2-26.8178.576.50000112.3A3 V4A3-S6 PolarHBondContact O-N 3.28Å; A3-S6 PolarHBondContact O-OG 3.45Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.48Å
7I58.6Low50.5Low12 Ų1279 Ų796%0.06241%0.413CS..Hα-helixtrans-82.6-36.9178.3-53.5171.1000111.1P2 A3 V4 D5 R64 I126 K130P2-I7 HydrophobicContact CB-CD1 4.43Å; P2-I7 HydrophobicContact CB-CG1 4.26Å; P2-I7 HydrophobicContact CG-CD1 3.8Å; P2-I7 HydrophobicContact CG-CG1 3.9Å; A3-I7 PolarHBondContact O-N 2.66Å; V4-I7 PolarHBondContact O-N 2.84Å; D5-I7 VanDerWaalsContact C-N 3.31Å; D5-I7 PolarHBondContact O-N 3.25Å; I7-R64 HydrophobicContact CG2-CG 4.33Å; I7-I126 HydrophobicContact CB-CD1 4.48Å; I7-I126 HydrophobicContact CD1-CD1 4.11Å; I7-I126 HydrophobicContact CG2-CD1 4.02Å; I7-I126 HydrophobicContact CG2-CG2 3.75Å; I7-K130 WeakPolarHBondContact O-CE 3.34Å; I7-K130 PolarHBondContact O-NZ 3.15Å
8I60.3Low49.7Very low3 Ų383.4 Ų83.42%0.01543%0.429CS..Hα-helixtrans-79.7-22.1-175.4-62.9171.2000112V4 E10 I129 L157 V160 R164V4-I8 HydrophobicContact CG1-CD1 3.37Å; V4-I8 HydrophobicContact CG1-CG1 4.31Å; V4-I8 WeakPolarHBondContact O-CG1 3.28Å; V4-I8 PolarHBondContact O-N 3.34Å; V4-I8 VanDerWaalsContact O-N 3.1Å; I8-E10 PolarHBondContact O-N 3.28Å; I8-I129 HydrophobicContact CD1-CD1 3.82Å; I8-I129 HydrophobicContact CD1-CG2 4.34Å; I8-I129 HydrophobicContact CG1-CD1 4.46Å; I8-I129 HydrophobicContact CG1-CG2 4.43Å; I8-I129 HydrophobicContact CG2-CG2 3.51Å; I8-L157 HydrophobicContact CD1-CD1 3.7Å; I8-V160 HydrophobicContact CD1-CB 4.47Å; I8-V160 HydrophobicContact CD1-CG1 3.61Å; I8-R164 VanDerWaalsContact CG2-NH1 3.32Å
9D57.9Low49.1Very low71 Ų7184.8 Ų84.838%0.3844%0.441SS..  trans-51.6119.6179.6-158.1-16.8000110.5D5 R11D5-D9 PolarHBondContact O-N 3.35Å; D5-D9 VanDerWaalsContact O-N 3.17Å; D9-R11 PolarHBondContact O-N 3.49Å; D9-R11 WeakPolarHBondContact OD1-CB 3.46Å; D9-R11 PolarHBondContact OD1-N 2.86Å
10E53.7Low48.3Very low123 Ų12384.8 Ų84.858%0.57544%0.436SS*.SBendtrans-63.5-21.8174.1-70.8-176.3173.500109.8I8 K132I8-E10 PolarHBondContact O-N 3.28Å; E10-K132 WeakPolarHBondContact OE1-CE 3.28Å; E10-K132 IonicContact OE1-NZ 3.07Å
11R47.5Very low47.3Very low209 Ų20983 Ų8379%0.78943%0.429SS*.SBendtrans-94.185.5171.7-61.3177.4176.6170.9-0.9108.8D9 D13D9-R11 PolarHBondContact O-N 3.49Å; D9-R11 WeakPolarHBondContact OD1-CB 3.46Å; D9-R11 PolarHBondContact OD1-N 2.86Å; R11-D13 PolarHBondContact O-N 2.94Å
12V45.9Very low46.1Very low47 Ų4782 Ų8229%0.28543%0.433SS..  trans-59.9118.4164.5-178.40000107E16 L17V12-E16 HydrophobicContact CG1-CB 4.49Å; V12-L17 HydrophobicContact CB-CD1 4.1Å; V12-L17 HydrophobicContact CG1-CD1 3.58Å
13D38.3Very low44.9Very low101 Ų10188.7 Ų88.754%0.5446%0.457SS..  trans-54.4125.3-177.5-150.5-29.6000108.6R11 Q15 E16 L17R11-D13 PolarHBondContact O-N 2.94Å; D13-Q15 PolarHBondContact O-N 3.37Å; D13-E16 PolarHBondContact O-N 2.75Å; D13-L17 PolarHBondContact O-N 2.89Å
14P35.8Very low43.2Very low88 Ų8893.4 Ų93.457%0.57147%0.472SS*.Hα-helixtrans-54.6-22.9-178.5-27.433.9000113.2K18P14-K18 WeakPolarHBondContact O-CG 3.47Å; P14-K18 PolarHBondContact O-N 3Å
15Q39Very low41.7Very low148 Ų14899 Ų9969%0.69251%0.507SS*.Hα-helixtrans-73.6-41.9174.8-66.1-161.316.900113.5D13 L17 K18 V19D13-Q15 PolarHBondContact O-N 3.37Å; Q15-L17 VanDerWaalsContact C-N 3.25Å; Q15-K18 WeakPolarHBondContact O-CB 3.36Å; Q15-K18 PolarHBondContact O-N 2.73Å; Q15-V19 PolarHBondContact O-N 3.2Å
16E36.7Very low40.2Very low88 Ų88103.9 Ų103.941%0.41152%0.524SS..Hα-helixtrans-61.6-44.2168.4-86.1-151.815800108.9V12 D13 K18 V19 Y20V12-E16 HydrophobicContact CG1-CB 4.49Å; D13-E16 PolarHBondContact O-N 2.75Å; E16-K18 VanDerWaalsContact C-N 3.25Å; E16-K18 PolarHBondContact O-N 2.94Å; E16-V19 WeakPolarHBondContact O-CB 3.08Å; E16-V19 PolarHBondContact O-N 3.16Å; E16-V19 VanDerWaalsContact O-N 3.08Å; E16-Y20 WeakPolarHBondContact O-CD2 3.33Å
17L34.7Very low38.8Very low66 Ų66108.9 Ų108.935%0.34655%0.546SS..Hα-helixtrans-55.8-41.4176.8-141.882.6000110.9V12 D13 Q15 V19 Y20 T21V12-L17 HydrophobicContact CB-CD1 4.1Å; V12-L17 HydrophobicContact CG1-CD1 3.58Å; D13-L17 PolarHBondContact O-N 2.89Å; Q15-L17 VanDerWaalsContact C-N 3.25Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.84Å; L17-Y20 CarbonylContact O-C 3.58Å; L17-Y20 VanDerWaalsContact O-C 3.31Å; L17-Y20 VanDerWaalsContact O-CA 3.25Å; L17-Y20 WeakPolarHBondContact O-CA 3.19Å; L17-Y20 WeakPolarHBondContact O-CB 3.28Å; L17-Y20 PolarHBondContact O-N 3.38Å; L17-T21 VanDerWaalsContact C-OG1 3.29Å; L17-T21 HydrophobicContact CB-CG2 4.4Å; L17-T21 HydrophobicContact CD2-CG2 3.69Å; L17-T21 HydrophobicContact CG-CG2 3.55Å; L17-T21 WeakPolarHBondContact O-CB 3.36Å; L17-T21 WeakPolarHBondContact O-CG2 3.48Å; L17-T21 PolarHBondContact O-N 2.88Å; L17-T21 PolarHBondContact O-OG1 2.98Å
18K35.8Very low37.9Very low159 Ų159112.6 Ų112.669%0.69157%0.569SS**Hα-helixtrans-60.7-32.9177.6-86.7179.1-178.6179.90114.9P14 Q15 E16 Y20P14-K18 WeakPolarHBondContact O-CG 3.47Å; P14-K18 PolarHBondContact O-N 3Å; Q15-K18 WeakPolarHBondContact O-CB 3.36Å; Q15-K18 PolarHBondContact O-N 2.73Å; E16-K18 VanDerWaalsContact C-N 3.25Å; E16-K18 PolarHBondContact O-N 2.94Å; K18-Y20 PolarHBondContact O-N 2.74Å
19V37.8Very low36.9Very low110 Ų110116.9 Ų116.967%0.66760%0.599SS**Hα-helixtrans-62.6-24.7172.1179.80000110.3Q15 E16 L17Q15-V19 PolarHBondContact O-N 3.2Å; E16-V19 WeakPolarHBondContact O-CB 3.08Å; E16-V19 PolarHBondContact O-N 3.16Å; E16-V19 VanDerWaalsContact O-N 3.08Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.84Å
20Y33.8Very low36.3Very low83 Ų83115.6 Ų115.633%0.32559%0.594SS.*Hα-helixtrans-102.1-36.9-179.5-59.8-64.6000112.5E16 L17 K18 C22 S31 F32 V33E16-Y20 WeakPolarHBondContact O-CD2 3.33Å; L17-Y20 CarbonylContact O-C 3.58Å; L17-Y20 VanDerWaalsContact O-C 3.31Å; L17-Y20 VanDerWaalsContact O-CA 3.25Å; L17-Y20 WeakPolarHBondContact O-CA 3.19Å; L17-Y20 WeakPolarHBondContact O-CB 3.28Å; L17-Y20 PolarHBondContact O-N 3.38Å; K18-Y20 PolarHBondContact O-N 2.74Å; Y20-C22 PolarHBondContact O-N 3.46Å; Y20-S31 VanDerWaalsContact C-OG 3.28Å; Y20-S31 WeakPolarHBondContact CA-OG 3.41Å; Y20-S31 WeakPolarHBondContact CB-OG 3.26Å; Y20-S31 CarbonylContact O-C 3.36Å; Y20-S31 WeakPolarHBondContact O-CA 2.92Å; Y20-S31 WeakPolarHBondContact O-CB 3.15Å; Y20-S31 PolarHBondContact O-OG 2.76Å; Y20-F32 PolarHBondContact O-N 3.2Å; Y20-F32 VanDerWaalsContact O-N 3.15Å; Y20-V33 HydrophobicContact CD1-CB 3.59Å; Y20-V33 HydrophobicContact CD1-CG1 3.73Å; Y20-V33 HydrophobicContact CD1-CG2 3.52Å; Y20-V33 HydrophobicContact CE1-CB 4.27Å; Y20-V33 HydrophobicContact CE1-CG1 3.93Å; Y20-V33 HydrophobicContact CE1-CG2 4.13Å
21T28.1Very low36.1Very low48 Ų48110.1 Ų110.129%0.29457%0.569SS.*  trans-99.982.6-166.3580000112.8L17 K23L17-T21 VanDerWaalsContact C-OG1 3.29Å; L17-T21 HydrophobicContact CB-CG2 4.4Å; L17-T21 HydrophobicContact CD2-CG2 3.69Å; L17-T21 HydrophobicContact CG-CG2 3.55Å; L17-T21 WeakPolarHBondContact O-CB 3.36Å; L17-T21 WeakPolarHBondContact O-CG2 3.48Å; L17-T21 PolarHBondContact O-N 2.88Å; L17-T21 PolarHBondContact O-OG1 2.98Å; T21-K23 PolarHBondContact O-N 3.28Å
22C27.4Very low36.3Very low103 Ų103106.9 Ų106.970%0.69656%0.561SS**  trans-81.2111.4158.2-101.30000110.5Y20Y20-C22 PolarHBondContact O-N 3.46Å
23K27.6Very low36.5Very low189 Ų189106.2 Ų106.282%0.82256%0.557SS**  trans34.1113.3148.3-68.8179.8177.4178.50121.1T21T21-K23 PolarHBondContact O-N 3.28Å
24L25.6Very low37.3Very low162 Ų162101.7 Ų101.785%0.84853%0.533SS*.  trans61.9131.7133.3-62.9171.1000120.1
25V29Very low38.6Very low123 Ų123102.2 Ų102.275%0.74553%0.527SS*.SBendtrans105.8116.5163.9-1700000113.8
26F29.3Very low40.1Very low188 Ų188103.2 Ų103.283%0.82553%0.525SS*.SBendtrans77131.7-173-64.2-76.5000117.4V28F26-V28 PolarHBondContact O-N 2.83Å
27N32.7Very low41.7Very low166 Ų166101 Ų10189%0.88851%0.514SS*.SBendtrans-73.130.9-162.9-161.69.2000114.5
28V39.2Very low43.4Very low90 Ų90100.1 Ų100.155%0.54551%0.508SS..SBendtrans-132.496.1170.8-167.90000103.7F26 T30F26-V28 PolarHBondContact O-N 2.83Å; V28-T30 HydrophobicContact CB-CG2 4.45Å; V28-T30 HydrophobicContact CG1-CG2 3.78Å; V28-T30 PolarHBondContact O-N 3.2Å; V28-T30 PolarHBondContact O-OG1 3.44Å
29S40.4Very low45.1Very low92 Ų9295.4 Ų95.464%0.64350%0.499SS*.  trans-66.763.4-173.4-49.10000111.8S31S29-S31 PolarHBondContact O-N 3.06Å; S29-S31 VanDerWaalsContact O-N 3.11Å
30T43.4Very low46.8Very low45 Ų4592 Ų9228%0.27648%0.482SS..  trans-8391.3178.751.60000107.4V28 F34V28-T30 HydrophobicContact CB-CG2 4.45Å; V28-T30 HydrophobicContact CG1-CG2 3.78Å; V28-T30 PolarHBondContact O-N 3.2Å; V28-T30 PolarHBondContact O-OG1 3.44Å; T30-F34 VanDerWaalsContact CB-CD1 3.42Å; T30-F34 VanDerWaalsContact CB-CG 3.45Å; T30-F34 HydrophobicContact CG2-CB 4.4Å; T30-F34 HydrophobicContact CG2-CD1 3.41Å; T30-F34 VanDerWaalsContact CG2-CD1 3.41Å; T30-F34 HydrophobicContact CG2-CD2 3.7Å; T30-F34 HydrophobicContact CG2-CE1 3.4Å; T30-F34 VanDerWaalsContact CG2-CE1 3.4Å; T30-F34 HydrophobicContact CG2-CE2 3.79Å; T30-F34 HydrophobicContact CG2-CG 3.6Å; T30-F34 HydrophobicContact CG2-CZ 3.66Å
31S50.5Low48.6Very low8 Ų888.7 Ų88.76%0.05647%0.469CS..  trans-30.3149.3165.1133.80000113.8Y20 S29 V33 F34 Q35Y20-S31 VanDerWaalsContact C-OG 3.28Å; Y20-S31 WeakPolarHBondContact CA-OG 3.41Å; Y20-S31 WeakPolarHBondContact CB-OG 3.26Å; Y20-S31 CarbonylContact O-C 3.36Å; Y20-S31 WeakPolarHBondContact O-CA 2.92Å; Y20-S31 WeakPolarHBondContact O-CB 3.15Å; Y20-S31 PolarHBondContact O-OG 2.76Å; S29-S31 PolarHBondContact O-N 3.06Å; S29-S31 VanDerWaalsContact O-N 3.11Å; S31-V33 PolarHBondContact O-N 2.96Å; S31-V33 WeakPolarHBondContact OG-CA 3.34Å; S31-V33 VanDerWaalsContact OG-CB 3.31Å; S31-V33 WeakPolarHBondContact OG-CB 3.45Å; S31-V33 PolarHBondContact OG-N 3.44Å; S31-F34 VanDerWaalsContact O-CA 3.31Å; S31-F34 WeakPolarHBondContact O-CA 3.48Å; S31-F34 WeakPolarHBondContact O-CB 3.21Å; S31-F34 PolarHBondContact O-N 3.44Å; S31-F34 PolarHBondContact OG-N 3Å; S31-Q35 PolarHBondContact O-N 2.92Å; S31-Q35 VanDerWaalsContact O-N 3.16Å
32F51.6Low50.8Low141 Ų14189.1 Ų89.162%0.61847%0.472SS*.Hα-helixtrans-55.2-28.7172.2176.7-100.5000111.9Y20 Q35 R36Y20-F32 PolarHBondContact O-N 3.2Å; Y20-F32 VanDerWaalsContact O-N 3.15Å; F32-Q35 WeakPolarHBondContact O-CB 3.49Å; F32-Q35 PolarHBondContact O-N 3.38Å; F32-R36 PolarHBondContact O-N 2.91Å
33V50.4Low53.2Low32 Ų3290.4 Ų90.419%0.19447%0.466CS..Hα-helixtrans-72.9-33.6173.7-178.70000111.9Y20 S31 Q35 R36 F37 F61Y20-V33 HydrophobicContact CD1-CB 3.59Å; Y20-V33 HydrophobicContact CD1-CG1 3.73Å; Y20-V33 HydrophobicContact CD1-CG2 3.52Å; Y20-V33 HydrophobicContact CE1-CB 4.27Å; Y20-V33 HydrophobicContact CE1-CG1 3.93Å; Y20-V33 HydrophobicContact CE1-CG2 4.13Å; S31-V33 PolarHBondContact O-N 2.96Å; S31-V33 WeakPolarHBondContact OG-CA 3.34Å; S31-V33 VanDerWaalsContact OG-CB 3.31Å; S31-V33 WeakPolarHBondContact OG-CB 3.45Å; S31-V33 PolarHBondContact OG-N 3.44Å; V33-Q35 VanDerWaalsContact C-N 3.27Å; V33-Q35 PolarHBondContact O-N 3.4Å; V33-R36 PolarHBondContact O-N 3.11Å; V33-F37 HydrophobicContact CG1-CD2 3.92Å; V33-F37 HydrophobicContact CG1-CE2 3.57Å; V33-F37 VanDerWaalsContact O-CD2 3.25Å; V33-F37 WeakPolarHBondContact O-CD2 3.39Å; V33-F37 PolarHBondContact O-N 3.08Å; V33-F61 HydrophobicContact CB-CE2 4.32Å; V33-F61 HydrophobicContact CG1-CD2 4.42Å; V33-F61 HydrophobicContact CG1-CE2 3.88Å
34F55.1Low55.5Low7 Ų783.6 Ų83.63%0.03144%0.437CS..Hα-helixtrans-55.2-47169.2-167.5-76.9000109.9T30 S31 R36 F37 E38 Y58 F61 L62T30-F34 VanDerWaalsContact CB-CD1 3.42Å; T30-F34 VanDerWaalsContact CB-CG 3.45Å; T30-F34 HydrophobicContact CG2-CB 4.4Å; T30-F34 HydrophobicContact CG2-CD1 3.41Å; T30-F34 VanDerWaalsContact CG2-CD1 3.41Å; T30-F34 HydrophobicContact CG2-CD2 3.7Å; T30-F34 HydrophobicContact CG2-CE1 3.4Å; T30-F34 VanDerWaalsContact CG2-CE1 3.4Å; T30-F34 HydrophobicContact CG2-CE2 3.79Å; T30-F34 HydrophobicContact CG2-CG 3.6Å; T30-F34 HydrophobicContact CG2-CZ 3.66Å; S31-F34 VanDerWaalsContact O-CA 3.31Å; S31-F34 WeakPolarHBondContact O-CA 3.48Å; S31-F34 WeakPolarHBondContact O-CB 3.21Å; S31-F34 PolarHBondContact O-N 3.44Å; S31-F34 PolarHBondContact OG-N 3Å; F34-R36 VanDerWaalsContact C-N 3.28Å; F34-R36 PolarHBondContact O-N 2.92Å; F34-F37 PolarHBondContact O-N 3.08Å; F34-E38 HydrophobicContact CD1-CB 3.87Å; F34-E38 HydrophobicContact CD1-CG 4.47Å; F34-E38 VanDerWaalsContact CD1-OE2 3.25Å; F34-E38 WeakPolarHBondContact CD1-OE2 3.33Å; F34-E38 HydrophobicContact CE1-CB 3.91Å; F34-E38 VanDerWaalsContact CE1-CD 3.4Å; F34-E38 HydrophobicContact CE1-CG 4.11Å; F34-E38 WeakPolarHBondContact CE1-OE2 3.25Å; F34-E38 VanDerWaalsContact O-CB 3.23Å; F34-E38 WeakPolarHBondContact O-CB 3.37Å; F34-E38 PolarHBondContact O-N 3.12Å; F34-Y58 HydrophobicContact CE1-CE2 4.18Å; F34-Y58 HydrophobicContact CZ-CE2 4.05Å; F34-F61 HydrophobicContact CB-CE1 3.93Å; F34-F61 HydrophobicContact CB-CZ 3.96Å; F34-F61 AromaticContact CD2-CD1 3.79Å; F34-F61 HydrophobicContact CD2-CD1 3.79Å; F34-F61 AromaticContact CD2-CE1 3.23Å; F34-F61 HydrophobicContact CD2-CE1 3.23Å; F34-F61 HydrophobicContact CD2-CZ 4.08Å; F34-F61 HydrophobicContact CE2-CD1 4.21Å; F34-F61 AromaticContact CE2-CE1 3.99Å; F34-F61 HydrophobicContact CE2-CE1 3.99Å; F34-F61 HydrophobicContact CG-CD1 4.46Å; F34-F61 AromaticContact CG-CE1 3.93Å; F34-F61 HydrophobicContact CG-CE1 3.93Å; F34-F61 HydrophobicContact CG-CZ 4.46Å; F34-L62 HydrophobicContact CE2-CD2 3.73Å; F34-L62 HydrophobicContact CZ-CD2 3.94Å
35Q62.2Low57.6Low99 Ų9977 Ų7746%0.46340%0.403SS..Hα-helixtrans-60.1-35.9-177.7-64.2178-9.200112.5S31 F32 V33 A39S31-Q35 PolarHBondContact O-N 2.92Å; S31-Q35 VanDerWaalsContact O-N 3.16Å; F32-Q35 WeakPolarHBondContact O-CB 3.49Å; F32-Q35 PolarHBondContact O-N 3.38Å; V33-Q35 VanDerWaalsContact C-N 3.27Å; V33-Q35 PolarHBondContact O-N 3.4Å; Q35-A39 WeakPolarHBondContact O-CA 3.37Å; Q35-A39 WeakPolarHBondContact O-CB 3.31Å; Q35-A39 PolarHBondContact O-N 2.84Å
36R71.4Confident59.7Low168 Ų16878.8 Ų78.863%0.63440%0.403SS*.Hα-helixtrans-68.5-46.4179.7-169.6-178.971.3143.74.9112.2F32 V33 F34 A40F32-R36 PolarHBondContact O-N 2.91Å; V33-R36 PolarHBondContact O-N 3.11Å; F34-R36 VanDerWaalsContact C-N 3.28Å; F34-R36 PolarHBondContact O-N 2.92Å; R36-A40 WeakPolarHBondContact O-CB 3.47Å; R36-A40 PolarHBondContact O-N 2.91Å
37F70.9Confident61.8Low41 Ų4176.1 Ų76.118%0.1839%0.393CS..Hα-helixtrans-72.1-41.7-179.4-68.3-68.9000111.4V33 F34 A40 F41 E57 Y58 F61V33-F37 HydrophobicContact CG1-CD2 3.92Å; V33-F37 HydrophobicContact CG1-CE2 3.57Å; V33-F37 VanDerWaalsContact O-CD2 3.25Å; V33-F37 WeakPolarHBondContact O-CD2 3.39Å; V33-F37 PolarHBondContact O-N 3.08Å; F34-F37 PolarHBondContact O-N 3.08Å; F37-A40 PolarHBondContact O-N 3.36Å; F37-F41 VanDerWaalsContact O-CB 3.32Å; F37-F41 WeakPolarHBondContact O-CB 3.46Å; F37-F41 PolarHBondContact O-N 3.33Å; F37-E57 HydrophobicContact CD1-CB 4.16Å; F37-E57 HydrophobicContact CE1-CB 4.32Å; F37-Y58 HydrophobicContact CB-CD2 4.38Å; F37-F61 AromaticContact CD2-CD2 3.78Å; F37-F61 HydrophobicContact CD2-CD2 3.78Å; F37-F61 HydrophobicContact CD2-CE2 4.44Å; F37-F61 HydrophobicContact CD2-CG 4.29Å; F37-F61 HydrophobicContact CE2-CD2 4.1Å
38E68.5Low63.5Low48 Ų4869.4 Ų69.422%0.22436%0.363CS..Hα-helixtrans-61.5-47.6172.9-176.6178.9-146.500111.1F34 A40 F41 V42 Y58F34-E38 HydrophobicContact CD1-CB 3.87Å; F34-E38 HydrophobicContact CD1-CG 4.47Å; F34-E38 VanDerWaalsContact CD1-OE2 3.25Å; F34-E38 WeakPolarHBondContact CD1-OE2 3.33Å; F34-E38 HydrophobicContact CE1-CB 3.91Å; F34-E38 VanDerWaalsContact CE1-CD 3.4Å; F34-E38 HydrophobicContact CE1-CG 4.11Å; F34-E38 WeakPolarHBondContact CE1-OE2 3.25Å; F34-E38 VanDerWaalsContact O-CB 3.23Å; F34-E38 WeakPolarHBondContact O-CB 3.37Å; F34-E38 PolarHBondContact O-N 3.12Å; E38-A40 VanDerWaalsContact C-N 3.33Å; E38-A40 PolarHBondContact O-N 3.31Å; E38-F41 PolarHBondContact O-N 2.9Å; E38-V42 HydrophobicContact CG-CG2 4.01Å; E38-V42 WeakPolarHBondContact O-CB 3.35Å; E38-V42 VanDerWaalsContact O-CG2 3.26Å; E38-V42 WeakPolarHBondContact O-CG2 3.39Å; E38-V42 PolarHBondContact O-N 3.36Å; E38-Y58 HydrophobicContact CB-CD2 4.41Å; E38-Y58 HydrophobicContact CB-CE2 3.83Å; E38-Y58 HydrophobicContact CG-CE2 4.22Å
39A71.7Confident64.9Low60 Ų6071.6 Ų71.650%0.49637%0.367SS..Hα-helixtrans-64-38.2179.600000112.2Q35 K43Q35-A39 WeakPolarHBondContact O-CA 3.37Å; Q35-A39 WeakPolarHBondContact O-CB 3.31Å; Q35-A39 PolarHBondContact O-N 2.84Å; A39-K43 WeakPolarHBondContact O-CB 3.45Å; A39-K43 PolarHBondContact O-N 3.23Å
40A75.1Confident66.4Low39 Ų3967.4 Ų67.432%0.32234%0.338SS..Hα-helixtrans-62.1-47.3173.800000111R36 F37 E38 K43 E44 T54R36-A40 WeakPolarHBondContact O-CB 3.47Å; R36-A40 PolarHBondContact O-N 2.91Å; F37-A40 PolarHBondContact O-N 3.36Å; E38-A40 VanDerWaalsContact C-N 3.33Å; E38-A40 PolarHBondContact O-N 3.31Å; A40-K43 PolarHBondContact O-N 2.9Å; A40-E44 WeakPolarHBondContact O-CG 3.31Å; A40-E44 PolarHBondContact O-N 2.82Å; A40-T54 HydrophobicContact CB-CG2 4.06Å
41F71.7Confident68Low13 Ų1367.5 Ų67.56%0.05734%0.34CS..Hα-helixtrans-64.5-47.7179.3-178.7-113.6000112.7F37 E38 K43 E44 L45 A50 T54 T55 Y58 L76 I100F37-F41 VanDerWaalsContact O-CB 3.32Å; F37-F41 WeakPolarHBondContact O-CB 3.46Å; F37-F41 PolarHBondContact O-N 3.33Å; E38-F41 PolarHBondContact O-N 2.9Å; F41-K43 VanDerWaalsContact C-N 3.34Å; F41-K43 PolarHBondContact O-N 2.8Å; F41-E44 PolarHBondContact O-N 3.3Å; F41-L45 HydrophobicContact CD1-CD1 3.78Å; F41-L45 HydrophobicContact CD1-CG 4.44Å; F41-L45 HydrophobicContact CE1-CD1 3.35Å; F41-L45 HydrophobicContact CE1-CG 4.2Å; F41-L45 HydrophobicContact CE2-CD1 4.27Å; F41-L45 HydrophobicContact CE2-CD2 4.48Å; F41-L45 HydrophobicContact CE2-CG 4.28Å; F41-L45 HydrophobicContact CG-CD1 4.43Å; F41-L45 HydrophobicContact CZ-CD1 3.65Å; F41-L45 HydrophobicContact CZ-CD2 4.35Å; F41-L45 HydrophobicContact CZ-CG 4.13Å; F41-L45 WeakPolarHBondContact O-CB 3.36Å; F41-L45 VanDerWaalsContact O-CG 3.31Å; F41-L45 WeakPolarHBondContact O-CG 3.37Å; F41-L45 PolarHBondContact O-N 2.86Å; F41-A50 HydrophobicContact CD2-CB 3.83Å; F41-A50 HydrophobicContact CE2-CB 3.49Å; F41-A50 VanDerWaalsContact CE2-CB 3.49Å; F41-A50 HydrophobicContact CZ-CB 4.46Å; F41-T54 HydrophobicContact CB-CG2 3.94Å; F41-T54 HydrophobicContact CD2-CG2 4.31Å; F41-T55 HydrophobicContact CE2-CG2 3.76Å; F41-T55 WeakPolarHBondContact CE2-OG1 3.45Å; F41-T55 HydrophobicContact CZ-CG2 4.28Å; F41-Y58 HydrophobicContact CB-CD1 4.42Å; F41-Y58 HydrophobicContact CB-CG 4.2Å; F41-Y58 AromaticContact CD1-CD1 3.5Å; F41-Y58 HydrophobicContact CD1-CD1 3.5Å; F41-Y58 AromaticContact CD1-CE1 3.78Å; F41-Y58 HydrophobicContact CD1-CE1 3.78Å; F41-Y58 HydrophobicContact CD1-CG 4.13Å; F41-Y58 AromaticContact CE1-CD1 3.73Å; F41-Y58 HydrophobicContact CE1-CD1 3.73Å; F41-Y58 AromaticContact CE1-CE1 3.92Å; F41-Y58 HydrophobicContact CE1-CE1 3.92Å; F41-Y58 AromaticContact CG-CD1 3.9Å; F41-Y58 HydrophobicContact CG-CD1 3.9Å; F41-Y58 HydrophobicContact CG-CG 4.14Å; F41-Y58 HydrophobicContact CZ-CD1 4.34Å; F41-L76 HydrophobicContact CZ-CD1 4.13Å; F41-I100 HydrophobicContact CE2-CD1 4.38Å; F41-I100 HydrophobicContact CE2-CG1 4.45Å; F41-I100 HydrophobicContact CZ-CD1 3.62Å; F41-I100 HydrophobicContact CZ-CG1 4.15Å
42V72.8Confident69.1Low58 Ų5869.8 Ų69.835%0.35235%0.354SS..Hα-helixtrans-62.2-42.1177.2171.60000110.8E38 E44 L45 E46E38-V42 HydrophobicContact CG-CG2 4.01Å; E38-V42 WeakPolarHBondContact O-CB 3.35Å; E38-V42 VanDerWaalsContact O-CG2 3.26Å; E38-V42 WeakPolarHBondContact O-CG2 3.39Å; E38-V42 PolarHBondContact O-N 3.36Å; V42-E44 PolarHBondContact O-N 2.78Å; V42-L45 WeakPolarHBondContact O-CB 3.38Å; V42-L45 PolarHBondContact O-N 2.94Å; V42-E46 HydrophobicContact CG1-CG 4.44Å; V42-E46 WeakPolarHBondContact O-CG 2.95Å; V42-E46 PolarHBondContact O-N 3.4Å
43K79.3Confident70.4Confident129 Ų12969.2 Ų69.256%0.56135%0.353SS*.Hα-helixtrans-61.7-41.5176.8-178.6-177.3178-1740112.3A39 A40 F41 Q47A39-K43 WeakPolarHBondContact O-CB 3.45Å; A39-K43 PolarHBondContact O-N 3.23Å; A40-K43 PolarHBondContact O-N 2.9Å; F41-K43 VanDerWaalsContact C-N 3.34Å; F41-K43 PolarHBondContact O-N 2.8Å; K43-Q47 WeakPolarHBondContact O-CG 3.25Å; K43-Q47 PolarHBondContact O-N 3.4Å
44E75.6Confident71.7Confident47 Ų4768.3 Ų68.322%0.2235%0.348CS..Hα-helixtrans-69.5-37.8175.1-70.1-177-163.500111.5A40 F41 V42 E46 Q47 G48 H49 A50 S51 T54A40-E44 WeakPolarHBondContact O-CG 3.31Å; A40-E44 PolarHBondContact O-N 2.82Å; F41-E44 PolarHBondContact O-N 3.3Å; V42-E44 PolarHBondContact O-N 2.78Å; E44-E46 PolarHBondContact O-N 2.97Å; E44-Q47 WeakPolarHBondContact O-CA 3.36Å; E44-Q47 WeakPolarHBondContact O-CB 3.4Å; E44-Q47 PolarHBondContact O-N 2.99Å; E44-Q47 VanDerWaalsContact O-N 3.08Å; E44-G48 PolarHBondContact O-N 2.87Å; E44-H49 CarbonylContact C-O 3.41Å; E44-H49 CarbonylContact O-C 3.4Å; E44-H49 VanDerWaalsContact O-C 3.28Å; E44-H49 PolarHBondContact O-N 3.44Å; E44-A50 HydrophobicContact CB-CB 4.48Å; E44-S51 VanDerWaalsContact OE2-CB 3.28Å; E44-S51 WeakPolarHBondContact OE2-CB 3.37Å; E44-S51 PolarHBondContact OE2-N 3.41Å; E44-S51 PolarHBondContact OE2-OG 3.17Å; E44-T54 VanDerWaalsContact CD-OG1 3.24Å; E44-T54 WeakPolarHBondContact OE1-CB 3.25Å; E44-T54 PolarHBondContact OE1-OG1 3.36Å; E44-T54 VanDerWaalsContact OE2-CB 3.25Å; E44-T54 WeakPolarHBondContact OE2-CB 3.37Å; E44-T54 PolarHBondContact OE2-OG1 2.89Å
45L69.3Low72.6Confident24 Ų2468 Ų6813%0.12635%0.346CS..Hα-helixtrans-61.7-41173.2-74.4-179.2000112.6F41 V42 Q47 G48 A50 H96 I100F41-L45 HydrophobicContact CD1-CD1 3.78Å; F41-L45 HydrophobicContact CD1-CG 4.44Å; F41-L45 HydrophobicContact CE1-CD1 3.35Å; F41-L45 HydrophobicContact CE1-CG 4.2Å; F41-L45 HydrophobicContact CE2-CD1 4.27Å; F41-L45 HydrophobicContact CE2-CD2 4.48Å; F41-L45 HydrophobicContact CE2-CG 4.28Å; F41-L45 HydrophobicContact CG-CD1 4.43Å; F41-L45 HydrophobicContact CZ-CD1 3.65Å; F41-L45 HydrophobicContact CZ-CD2 4.35Å; F41-L45 HydrophobicContact CZ-CG 4.13Å; F41-L45 WeakPolarHBondContact O-CB 3.36Å; F41-L45 VanDerWaalsContact O-CG 3.31Å; F41-L45 WeakPolarHBondContact O-CG 3.37Å; F41-L45 PolarHBondContact O-N 2.86Å; V42-L45 WeakPolarHBondContact O-CB 3.38Å; V42-L45 PolarHBondContact O-N 2.94Å; L45-Q47 PolarHBondContact O-N 3.36Å; L45-G48 WeakPolarHBondContact O-CA 3.47Å; L45-G48 PolarHBondContact O-N 3.27Å; L45-A50 HydrophobicContact CD2-CB 3.64Å; L45-A50 HydrophobicContact CG-CB 4.09Å; L45-H96 HydrophobicContact CD2-CB 3.79Å; L45-H96 PolarHBondContact O-CE1 3.04Å; L45-I100 HydrophobicContact CD2-CD1 4.39Å
46E72.1Confident73.2Confident159 Ų15965.4 Ų65.474%0.74333%0.334SS*.Hα-helixtrans-60.7-27.3174-75.5178.3171.500112.5V42 E44 G48V42-E46 HydrophobicContact CG1-CG 4.44Å; V42-E46 WeakPolarHBondContact O-CG 2.95Å; V42-E46 PolarHBondContact O-N 3.4Å; E44-E46 PolarHBondContact O-N 2.97Å; E46-G48 PolarHBondContact O-N 2.88Å
47Q74.9Confident73.5Confident133 Ų13360.6 Ų60.662%0.62132%0.318SS*.THydrogen-bonded Turntrans-78.61.7172.5-63.71703.400112.9K43 E44 L45K43-Q47 WeakPolarHBondContact O-CG 3.25Å; K43-Q47 PolarHBondContact O-N 3.4Å; E44-Q47 WeakPolarHBondContact O-CA 3.36Å; E44-Q47 WeakPolarHBondContact O-CB 3.4Å; E44-Q47 PolarHBondContact O-N 2.99Å; E44-Q47 VanDerWaalsContact O-N 3.08Å; L45-Q47 PolarHBondContact O-N 3.36Å
48G67.3Low73.6Confident25 Ų2559.8 Ų59.826%0.25831%0.314SS..THydrogen-bonded Turntrans94.8-17.8178.200000114.2E44 L45 E46E44-G48 PolarHBondContact O-N 2.87Å; L45-G48 WeakPolarHBondContact O-CA 3.47Å; L45-G48 PolarHBondContact O-N 3.27Å; E46-G48 PolarHBondContact O-N 2.88Å
49H68.3Low73.8Confident135 Ų13557.5 Ų57.563%0.62530%0.304SS*.  trans-145.5119.1-173.9-57.685.4000110.8E44E44-H49 CarbonylContact C-O 3.41Å; E44-H49 CarbonylContact O-C 3.4Å; E44-H49 VanDerWaalsContact O-C 3.28Å; E44-H49 PolarHBondContact O-N 3.44Å
50A71.6Confident73.8Confident4 Ų456.1 Ų56.13%0.03329%0.288CS..  trans-78.1139.7163.200000109.5F41 E44 L45 T55 I103F41-A50 HydrophobicContact CD2-CB 3.83Å; F41-A50 HydrophobicContact CE2-CB 3.49Å; F41-A50 VanDerWaalsContact CE2-CB 3.49Å; F41-A50 HydrophobicContact CZ-CB 4.46Å; E44-A50 HydrophobicContact CB-CB 4.48Å; L45-A50 HydrophobicContact CD2-CB 3.64Å; L45-A50 HydrophobicContact CG-CB 4.09Å; A50-T55 WeakPolarHBondContact CB-OG1 3.26Å; A50-I103 WeakPolarHBondContact O-CD1 3.25Å
51S77.8Confident73.8Confident48 Ų4855.8 Ų55.834%0.33628%0.279SS..  trans-72152.9170.566.50000110.7E44 Q53 T54 T55E44-S51 VanDerWaalsContact OE2-CB 3.28Å; E44-S51 WeakPolarHBondContact OE2-CB 3.37Å; E44-S51 PolarHBondContact OE2-N 3.41Å; E44-S51 PolarHBondContact OE2-OG 3.17Å; S51-Q53 PolarHBondContact O-N 3.43Å; S51-T54 PolarHBondContact O-N 2.88Å; S51-T54 WeakPolarHBondContact OG-CB 3.44Å; S51-T54 PolarHBondContact OG-N 3.17Å; S51-T54 VanDerWaalsContact OG-N 3.16Å; S51-T54 PolarHBondContact OG-OG1 3.49Å; S51-T55 WeakPolarHBondContact O-CB 3.16Å; S51-T55 PolarHBondContact O-N 3.4Å; S51-T55 PolarHBondContact O-OG1 2.89Å
52T73.8Confident73.8Confident55 Ų5555.2 Ų55.234%0.33728%0.277SS..Hα-helixtrans-53.7-41.8173.8-45.30000111.8F56 I103 L107T52-F56 WeakPolarHBondContact O-CB 3.42Å; T52-F56 PolarHBondContact O-N 3.11Å; T52-I103 HydrophobicContact CG2-CG2 3.66Å; T52-I103 VanDerWaalsContact OG1-CG2 3.26Å; T52-I103 WeakPolarHBondContact OG1-CG2 3.31Å; T52-L107 HydrophobicContact CG2-CB 4.37Å; T52-L107 HydrophobicContact CG2-CD1 4.05Å; T52-L107 HydrophobicContact CG2-CD2 3.86Å; T52-L107 HydrophobicContact CG2-CG 4.32Å
53Q79.2Confident73.6Confident130 Ų13052.5 Ų52.561%0.60726%0.26SS*.Hα-helixtrans-65-53.4-179.3-176.2-178.5-17.500111.6S51 T55 F56 E57S51-Q53 PolarHBondContact O-N 3.43Å; Q53-T55 VanDerWaalsContact C-N 3.3Å; Q53-T55 PolarHBondContact O-N 3.24Å; Q53-F56 WeakPolarHBondContact O-CB 3.31Å; Q53-F56 PolarHBondContact O-N 3.17Å; Q53-F56 VanDerWaalsContact O-N 3.17Å; Q53-E57 HydrophobicContact CG-CG 4.47Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.29Å; Q53-E57 PolarHBondContact NE2-OE1 2.96Å; Q53-E57 WeakPolarHBondContact O-CG 3.48Å; Q53-E57 PolarHBondContact O-N 3.23Å
54T77.3Confident73.2Confident13 Ų1350.4 Ų50.48%0.0825%0.249CC..Hα-helixtrans-64.9-37.5-177.8-58.10000111.5A40 F41 E44 S51 E57 Y58A40-T54 HydrophobicContact CB-CG2 4.06Å; F41-T54 HydrophobicContact CB-CG2 3.94Å; F41-T54 HydrophobicContact CD2-CG2 4.31Å; E44-T54 VanDerWaalsContact CD-OG1 3.24Å; E44-T54 WeakPolarHBondContact OE1-CB 3.25Å; E44-T54 PolarHBondContact OE1-OG1 3.36Å; E44-T54 VanDerWaalsContact OE2-CB 3.25Å; E44-T54 WeakPolarHBondContact OE2-CB 3.37Å; E44-T54 PolarHBondContact OE2-OG1 2.89Å; S51-T54 PolarHBondContact O-N 2.88Å; S51-T54 WeakPolarHBondContact OG-CB 3.44Å; S51-T54 PolarHBondContact OG-N 3.17Å; S51-T54 VanDerWaalsContact OG-N 3.16Å; S51-T54 PolarHBondContact OG-OG1 3.49Å; T54-E57 PolarHBondContact O-N 3.49Å; T54-Y58 WeakPolarHBondContact O-CB 3.4Å; T54-Y58 PolarHBondContact O-N 3Å
55T74.5Confident72.8Confident0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-62-45.6174-49.60000111.3F41 A50 S51 Q53 Y58 A59 L76 I100 F104F41-T55 HydrophobicContact CE2-CG2 3.76Å; F41-T55 WeakPolarHBondContact CE2-OG1 3.45Å; F41-T55 HydrophobicContact CZ-CG2 4.28Å; A50-T55 WeakPolarHBondContact CB-OG1 3.26Å; S51-T55 WeakPolarHBondContact O-CB 3.16Å; S51-T55 PolarHBondContact O-N 3.4Å; S51-T55 PolarHBondContact O-OG1 2.89Å; Q53-T55 VanDerWaalsContact C-N 3.3Å; Q53-T55 PolarHBondContact O-N 3.24Å; T55-Y58 PolarHBondContact O-N 3.41Å; T55-A59 VanDerWaalsContact O-CB 3.23Å; T55-A59 WeakPolarHBondContact O-CB 3.28Å; T55-A59 PolarHBondContact O-N 3.07Å; T55-L76 HydrophobicContact CG2-CD1 4.41Å; T55-L76 HydrophobicContact CG2-CD2 4.32Å; T55-L76 HydrophobicContact CG2-CG 4.22Å; T55-I100 HydrophobicContact CG2-CB 4.49Å; T55-I100 HydrophobicContact CG2-CG1 4.19Å; T55-I100 HydrophobicContact CG2-CG2 3.66Å; T55-F104 HydrophobicContact CG2-CD2 4.45Å; T55-F104 HydrophobicContact CG2-CE2 3.32Å; T55-F104 HydrophobicContact CG2-CZ 3.44Å; T55-F104 VanDerWaalsContact CG2-CZ 3.44Å
56F74.1Confident72.7Confident44 Ų4451 Ų5119%0.19326%0.258CS..Hα-helixtrans-63.8-43.5177175.9-93.2000112T52 Q53 Y58 A59 N60 F77 D119 F123T52-F56 WeakPolarHBondContact O-CB 3.42Å; T52-F56 PolarHBondContact O-N 3.11Å; Q53-F56 WeakPolarHBondContact O-CB 3.31Å; Q53-F56 PolarHBondContact O-N 3.17Å; Q53-F56 VanDerWaalsContact O-N 3.17Å; F56-Y58 PolarHBondContact O-N 2.81Å; F56-A59 PolarHBondContact O-N 3.21Å; F56-N60 WeakPolarHBondContact O-CB 3.43Å; F56-N60 PolarHBondContact O-N 2.99Å; F56-F77 AromaticContact CD2-CE1 3.89Å; F56-F77 HydrophobicContact CD2-CE1 3.89Å; F56-F77 HydrophobicContact CD2-CZ 4.07Å; F56-F77 HydrophobicContact CE2-CZ 4.42Å; F56-D119 HydrophobicContact CZ-CB 4.36Å; F56-F123 HydrophobicContact CE1-CE2 4.2Å; F56-F123 AromaticContact CE2-CD2 3.71Å; F56-F123 HydrophobicContact CE2-CD2 3.71Å; F56-F123 HydrophobicContact CE2-CE2 4.15Å; F56-F123 AromaticContact CZ-CD2 3.49Å; F56-F123 HydrophobicContact CZ-CD2 3.49Å; F56-F123 VanDerWaalsContact CZ-CD2 3.49Å; F56-F123 AromaticContact CZ-CE2 3.44Å; F56-F123 HydrophobicContact CZ-CE2 3.44Å; F56-F123 VanDerWaalsContact CZ-CE2 3.44Å
57E77.3Confident72.3Confident67 Ų6749.5 Ų49.531%0.31325%0.249SC..Hα-helixtrans-61.1-44.5177.4-74.2179.4-164.800111.5F37 Q53 T54 F61F37-E57 HydrophobicContact CD1-CB 4.16Å; F37-E57 HydrophobicContact CE1-CB 4.32Å; Q53-E57 HydrophobicContact CG-CG 4.47Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.29Å; Q53-E57 PolarHBondContact NE2-OE1 2.96Å; Q53-E57 WeakPolarHBondContact O-CG 3.48Å; Q53-E57 PolarHBondContact O-N 3.23Å; T54-E57 PolarHBondContact O-N 3.49Å; E57-F61 WeakPolarHBondContact O-CB 3.35Å; E57-F61 PolarHBondContact O-N 3.46Å
58Y73.5Confident71.8Confident25 Ų2548.8 Ų48.810%0.09825%0.249CC..Hα-helixtrans-66-45.5176.2-178.3-121000112.1F34 F37 E38 F41 T54 T55 F56 N60 F61 L62 L76F34-Y58 HydrophobicContact CE1-CE2 4.18Å; F34-Y58 HydrophobicContact CZ-CE2 4.05Å; F37-Y58 HydrophobicContact CB-CD2 4.38Å; E38-Y58 HydrophobicContact CB-CD2 4.41Å; E38-Y58 HydrophobicContact CB-CE2 3.83Å; E38-Y58 HydrophobicContact CG-CE2 4.22Å; F41-Y58 HydrophobicContact CB-CD1 4.42Å; F41-Y58 HydrophobicContact CB-CG 4.2Å; F41-Y58 AromaticContact CD1-CD1 3.5Å; F41-Y58 HydrophobicContact CD1-CD1 3.5Å; F41-Y58 AromaticContact CD1-CE1 3.78Å; F41-Y58 HydrophobicContact CD1-CE1 3.78Å; F41-Y58 HydrophobicContact CD1-CG 4.13Å; F41-Y58 AromaticContact CE1-CD1 3.73Å; F41-Y58 HydrophobicContact CE1-CD1 3.73Å; F41-Y58 AromaticContact CE1-CE1 3.92Å; F41-Y58 HydrophobicContact CE1-CE1 3.92Å; F41-Y58 AromaticContact CG-CD1 3.9Å; F41-Y58 HydrophobicContact CG-CD1 3.9Å; F41-Y58 HydrophobicContact CG-CG 4.14Å; F41-Y58 HydrophobicContact CZ-CD1 4.34Å; T54-Y58 WeakPolarHBondContact O-CB 3.4Å; T54-Y58 PolarHBondContact O-N 3Å; T55-Y58 PolarHBondContact O-N 3.41Å; F56-Y58 PolarHBondContact O-N 2.81Å; Y58-N60 PolarHBondContact O-N 3.44Å; Y58-F61 WeakPolarHBondContact O-CB 3.44Å; Y58-F61 PolarHBondContact O-N 3.38Å; Y58-L62 HydrophobicContact CD1-CD1 3.98Å; Y58-L62 HydrophobicContact CE1-CD1 3.59Å; Y58-L62 HydrophobicContact CE1-CG 4.35Å; Y58-L62 HydrophobicContact CE2-CD1 4.4Å; Y58-L62 HydrophobicContact CE2-CD2 4.41Å; Y58-L62 HydrophobicContact CE2-CG 4.3Å; Y58-L62 WeakPolarHBondContact O-CG 3.15Å; Y58-L62 PolarHBondContact O-N 2.88Å; Y58-L76 HydrophobicContact CD1-CD2 3.57Å; Y58-L76 HydrophobicContact CE1-CD2 4.09Å
59A72.5Confident71.7Confident0 Ų048.1 Ų48.10%024%0.239CC..Hα-helixtrans-63.1-42.8177.500000112.6T55 F56 F61 L62 I63 L76 F77T55-A59 VanDerWaalsContact O-CB 3.23Å; T55-A59 WeakPolarHBondContact O-CB 3.28Å; T55-A59 PolarHBondContact O-N 3.07Å; F56-A59 PolarHBondContact O-N 3.21Å; A59-F61 VanDerWaalsContact C-N 3.32Å; A59-F61 PolarHBondContact O-N 3.3Å; A59-L62 WeakPolarHBondContact O-CB 3.26Å; A59-L62 PolarHBondContact O-N 2.86Å; A59-I63 WeakPolarHBondContact O-CG1 3.23Å; A59-I63 PolarHBondContact O-N 3.28Å; A59-L76 HydrophobicContact CB-CB 4.5Å; A59-L76 HydrophobicContact CB-CD2 3.72Å; A59-L76 HydrophobicContact CB-CG 4.29Å; A59-F77 HydrophobicContact CB-CD1 3.78Å; A59-F77 HydrophobicContact CB-CD2 3.95Å; A59-F77 HydrophobicContact CB-CE1 3.36Å; A59-F77 HydrophobicContact CB-CE2 3.47Å; A59-F77 VanDerWaalsContact CB-CE2 3.47Å; A59-F77 HydrophobicContact CB-CG 4.13Å; A59-F77 HydrophobicContact CB-CZ 3.2Å
60N71.9Confident71.6Confident31 Ų3141.7 Ų41.717%0.16621%0.21CC..Hα-helixtrans-58.7-45.6173.3177.512.8000110.7F56 Y58 L62 I63 R64 F123F56-N60 WeakPolarHBondContact O-CB 3.43Å; F56-N60 PolarHBondContact O-N 2.99Å; Y58-N60 PolarHBondContact O-N 3.44Å; N60-L62 VanDerWaalsContact C-N 3.34Å; N60-L62 PolarHBondContact O-N 3.26Å; N60-I63 PolarHBondContact O-N 3.29Å; N60-R64 WeakPolarHBondContact O-CG 3.25Å; N60-R64 PolarHBondContact O-N 3.41Å; N60-R64 VanDerWaalsContact O-N 3.11Å; N60-R64 WeakPolarHBondContact OD1-CD 3.32Å; N60-F123 WeakPolarHBondContact OD1-CE1 3.26Å; N60-F123 WeakPolarHBondContact OD1-CZ 3.41Å
61F75.7Confident71.5Confident31 Ų3144 Ų4414%0.13622%0.221CC..Hα-helixtrans-57.7-47.2175.1-176.2-77.1000111.4V33 F34 F37 E57 Y58 A59 I63 R64 S65V33-F61 HydrophobicContact CB-CE2 4.32Å; V33-F61 HydrophobicContact CG1-CD2 4.42Å; V33-F61 HydrophobicContact CG1-CE2 3.88Å; F34-F61 HydrophobicContact CB-CE1 3.93Å; F34-F61 HydrophobicContact CB-CZ 3.96Å; F34-F61 AromaticContact CD2-CD1 3.79Å; F34-F61 HydrophobicContact CD2-CD1 3.79Å; F34-F61 AromaticContact CD2-CE1 3.23Å; F34-F61 HydrophobicContact CD2-CE1 3.23Å; F34-F61 HydrophobicContact CD2-CZ 4.08Å; F34-F61 HydrophobicContact CE2-CD1 4.21Å; F34-F61 AromaticContact CE2-CE1 3.99Å; F34-F61 HydrophobicContact CE2-CE1 3.99Å; F34-F61 HydrophobicContact CG-CD1 4.46Å; F34-F61 AromaticContact CG-CE1 3.93Å; F34-F61 HydrophobicContact CG-CE1 3.93Å; F34-F61 HydrophobicContact CG-CZ 4.46Å; F37-F61 AromaticContact CD2-CD2 3.78Å; F37-F61 HydrophobicContact CD2-CD2 3.78Å; F37-F61 HydrophobicContact CD2-CE2 4.44Å; F37-F61 HydrophobicContact CD2-CG 4.29Å; F37-F61 HydrophobicContact CE2-CD2 4.1Å; E57-F61 WeakPolarHBondContact O-CB 3.35Å; E57-F61 PolarHBondContact O-N 3.46Å; Y58-F61 WeakPolarHBondContact O-CB 3.44Å; Y58-F61 PolarHBondContact O-N 3.38Å; A59-F61 VanDerWaalsContact C-N 3.32Å; A59-F61 PolarHBondContact O-N 3.3Å; F61-I63 PolarHBondContact O-N 3.37Å; F61-R64 PolarHBondContact O-N 3.43Å; F61-R64 VanDerWaalsContact O-N 3.09Å; F61-S65 PolarHBondContact O-N 2.8Å; F61-S65 VanDerWaalsContact O-N 3.1Å
62L70.7Confident71.1Confident2 Ų243.9 Ų43.91%0.0122%0.217CC..Hα-helixtrans-59.1-43.2178.8-73172.3000112.5F34 Y58 A59 N60 R64 S65 D69 V70 L72 L76F34-L62 HydrophobicContact CE2-CD2 3.73Å; F34-L62 HydrophobicContact CZ-CD2 3.94Å; Y58-L62 HydrophobicContact CD1-CD1 3.98Å; Y58-L62 HydrophobicContact CE1-CD1 3.59Å; Y58-L62 HydrophobicContact CE1-CG 4.35Å; Y58-L62 HydrophobicContact CE2-CD1 4.4Å; Y58-L62 HydrophobicContact CE2-CD2 4.41Å; Y58-L62 HydrophobicContact CE2-CG 4.3Å; Y58-L62 WeakPolarHBondContact O-CG 3.15Å; Y58-L62 PolarHBondContact O-N 2.88Å; A59-L62 WeakPolarHBondContact O-CB 3.26Å; A59-L62 PolarHBondContact O-N 2.86Å; N60-L62 VanDerWaalsContact C-N 3.34Å; N60-L62 PolarHBondContact O-N 3.26Å; L62-R64 VanDerWaalsContact C-N 3.26Å; L62-R64 PolarHBondContact O-N 3.05Å; L62-S65 PolarHBondContact O-N 2.87Å; L62-D69 HydrophobicContact CD2-CB 4.02Å; L62-D69 CarbonylContact O-C 3.03Å; L62-D69 WeakPolarHBondContact O-CB 3.14Å; L62-V70 PolarHBondContact O-N 3.16Å; L62-L72 HydrophobicContact CD1-CB 4.07Å; L62-L72 HydrophobicContact CD2-CB 4.33Å; L62-L72 HydrophobicContact CD2-CD1 4.3Å; L62-L76 HydrophobicContact CD1-CD2 4.17Å
63I68.4Low70.9Confident0 Ų041.3 Ų41.30%020%0.201CC..Hα-helixtrans-63.6-32.3176.2-69.8-169.6000112.1A59 N60 F61 S65 V70 L74 F77 F123 I126 K130A59-I63 WeakPolarHBondContact O-CG1 3.23Å; A59-I63 PolarHBondContact O-N 3.28Å; N60-I63 PolarHBondContact O-N 3.29Å; F61-I63 PolarHBondContact O-N 3.37Å; I63-S65 VanDerWaalsContact C-N 3.34Å; I63-V70 WeakPolarHBondContact O-CG2 3.32Å; I63-L74 HydrophobicContact CD1-CD2 4.38Å; I63-F77 HydrophobicContact CD1-CD2 3.7Å; I63-F77 HydrophobicContact CD1-CE2 3.46Å; I63-F77 VanDerWaalsContact CD1-CE2 3.46Å; I63-F77 HydrophobicContact CG1-CE2 4.24Å; I63-F123 HydrophobicContact CD1-CB 4.31Å; I63-F123 VanDerWaalsContact CD1-O 3.28Å; I63-F123 WeakPolarHBondContact CD1-O 3.38Å; I63-I126 HydrophobicContact CG2-CB 4.31Å; I63-I126 HydrophobicContact CG2-CG2 3.62Å; I63-K130 WeakPolarHBondContact O-CE 3.23Å; I63-K130 PolarHBondContact O-NZ 2.97Å
64R72.4Confident70.7Confident86 Ų8635.3 Ų35.333%0.32517%0.173SC..Hα-helixtrans-80.8-15.1179-68.3-179.965.1158.91.6113.5I7 N60 F61 L62I7-R64 HydrophobicContact CG2-CG 4.33Å; N60-R64 WeakPolarHBondContact O-CG 3.25Å; N60-R64 PolarHBondContact O-N 3.41Å; N60-R64 VanDerWaalsContact O-N 3.11Å; N60-R64 WeakPolarHBondContact OD1-CD 3.32Å; F61-R64 PolarHBondContact O-N 3.43Å; F61-R64 VanDerWaalsContact O-N 3.09Å; L62-R64 VanDerWaalsContact C-N 3.26Å; L62-R64 PolarHBondContact O-N 3.05Å
65S66.7Low70.4Confident20 Ų2039 Ų3914%0.1419%0.185CC..SBendtrans-84.5-151.2-178.4-167.20000112.2F61 L62 I63 D69F61-S65 PolarHBondContact O-N 2.8Å; F61-S65 VanDerWaalsContact O-N 3.1Å; L62-S65 PolarHBondContact O-N 2.87Å; I63-S65 VanDerWaalsContact C-N 3.34Å; S65-D69 VanDerWaalsContact CB-OD2 3.26Å; S65-D69 WeakPolarHBondContact CB-OD2 3.31Å; S65-D69 PolarHBondContact OG-OD2 3.24Å
66T65.6Low70.2Confident64 Ų6439.4 Ų39.439%0.39319%0.187SC..  trans-69161.3-17673.80000112.5N68 D69 V70T66-N68 PolarHBondContact O-N 3.07Å; T66-N68 VanDerWaalsContact O-N 3.12Å; T66-D69 WeakPolarHBondContact CB-OD2 3.49Å; T66-D69 PolarHBondContact N-OD2 2.81Å; T66-D69 WeakPolarHBondContact O-CA 3.45Å; T66-D69 WeakPolarHBondContact O-CB 3.25Å; T66-D69 PolarHBondContact O-N 2.86Å; T66-D69 PolarHBondContact OG1-OD2 3.35Å; T66-V70 WeakPolarHBondContact O-CG2 3.3Å; T66-V70 PolarHBondContact O-N 2.97Å
67K64.1Low70.1Confident126 Ų12637.5 Ų37.555%0.54818%0.179SC..Hα-helixtrans-55.3-33179.6-172177.6-179.4-179.50113.7
68N64.7Low69.8Low118 Ų11837.9 Ų37.963%0.63118%0.181SC*.Hα-helixtrans-68.5-43175.3-68.7-28.5000110.8T66 V70 I71 L72T66-N68 PolarHBondContact O-N 3.07Å; T66-N68 VanDerWaalsContact O-N 3.12Å; N68-V70 VanDerWaalsContact C-N 3.32Å; N68-V70 PolarHBondContact O-N 3.5Å; N68-I71 WeakPolarHBondContact O-CB 3.43Å; N68-I71 PolarHBondContact O-N 3.3Å; N68-L72 WeakPolarHBondContact O-CG 3.49Å; N68-L72 PolarHBondContact O-N 2.83Å
69D65.9Low69.3Low11 Ų1136.9 Ų36.96%0.05918%0.178CC..Hα-helixtrans-64.8-35.5178.8-55.6-31.7000112.1L62 S65 T66 I71 L72 G73L62-D69 HydrophobicContact CD2-CB 4.02Å; L62-D69 CarbonylContact O-C 3.03Å; L62-D69 WeakPolarHBondContact O-CB 3.14Å; S65-D69 VanDerWaalsContact CB-OD2 3.26Å; S65-D69 WeakPolarHBondContact CB-OD2 3.31Å; S65-D69 PolarHBondContact OG-OD2 3.24Å; T66-D69 WeakPolarHBondContact CB-OD2 3.49Å; T66-D69 PolarHBondContact N-OD2 2.81Å; T66-D69 WeakPolarHBondContact O-CA 3.45Å; T66-D69 WeakPolarHBondContact O-CB 3.25Å; T66-D69 PolarHBondContact O-N 2.86Å; T66-D69 PolarHBondContact OG1-OD2 3.35Å; D69-I71 PolarHBondContact O-N 2.94Å; D69-L72 CarbonylContact O-C 3.47Å; D69-L72 WeakPolarHBondContact O-CA 3.49Å; D69-L72 VanDerWaalsContact O-CB 3.3Å; D69-L72 WeakPolarHBondContact O-CB 3.38Å; D69-L72 PolarHBondContact O-N 3.16Å; D69-G73 PolarHBondContact O-N 2.91Å
70V66Low68.8Low0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-56.7-40.9174.9177.50000111.3L62 I63 T66 N68 L72 G73 L74 K130 L131L62-V70 PolarHBondContact O-N 3.16Å; I63-V70 WeakPolarHBondContact O-CG2 3.32Å; T66-V70 WeakPolarHBondContact O-CG2 3.3Å; T66-V70 PolarHBondContact O-N 2.97Å; N68-V70 VanDerWaalsContact C-N 3.32Å; N68-V70 PolarHBondContact O-N 3.5Å; V70-L72 VanDerWaalsContact C-N 3.28Å; V70-L72 PolarHBondContact O-N 2.96Å; V70-G73 PolarHBondContact O-N 3.2Å; V70-L74 HydrophobicContact CG1-CD1 4.29Å; V70-L74 WeakPolarHBondContact O-CB 3.42Å; V70-L74 PolarHBondContact O-N 3.03Å; V70-K130 HydrophobicContact CG1-CB 3.89Å; V70-K130 HydrophobicContact CG1-CD 4.38Å; V70-K130 HydrophobicContact CG2-CB 4.2Å; V70-K130 HydrophobicContact CG2-CD 3.5Å; V70-L131 HydrophobicContact CG1-CD2 4.21Å; V70-L131 HydrophobicContact CG1-CG 4.24Å
71I70.3Confident67.9Low54 Ų5440.3 Ų40.328%0.27721%0.206SC..Hα-helixtrans-63.1-40.8176.7-59.6170.9000109.7N68 D69 R75 L131N68-I71 WeakPolarHBondContact O-CB 3.43Å; N68-I71 PolarHBondContact O-N 3.3Å; D69-I71 PolarHBondContact O-N 2.94Å; I71-R75 HydrophobicContact CG2-CG 4.48Å; I71-R75 WeakPolarHBondContact O-CB 3.04Å; I71-R75 VanDerWaalsContact O-CG 3.27Å; I71-R75 WeakPolarHBondContact O-CG 3.23Å; I71-R75 PolarHBondContact O-N 3.04Å; I71-L131 HydrophobicContact CD1-CD2 4.3Å; I71-L131 HydrophobicContact CG1-CD1 4.21Å; I71-L131 HydrophobicContact CG1-CD2 3.54Å
72L68.3Low66.9Low45 Ų4548.5 Ų48.524%0.23624%0.236CC..Hα-helixtrans-63.2-49177.5-39.6-178.1000110.3L62 N68 D69 V70 L74 R75 L76 F83L62-L72 HydrophobicContact CD1-CB 4.07Å; L62-L72 HydrophobicContact CD2-CB 4.33Å; L62-L72 HydrophobicContact CD2-CD1 4.3Å; N68-L72 WeakPolarHBondContact O-CG 3.49Å; N68-L72 PolarHBondContact O-N 2.83Å; D69-L72 CarbonylContact O-C 3.47Å; D69-L72 WeakPolarHBondContact O-CA 3.49Å; D69-L72 VanDerWaalsContact O-CB 3.3Å; D69-L72 WeakPolarHBondContact O-CB 3.38Å; D69-L72 PolarHBondContact O-N 3.16Å; V70-L72 VanDerWaalsContact C-N 3.28Å; V70-L72 PolarHBondContact O-N 2.96Å; L72-L74 PolarHBondContact O-N 3.23Å; L72-R75 PolarHBondContact O-N 3.11Å; L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 PolarHBondContact O-N 3.31Å; L72-F83 HydrophobicContact CB-CE1 4.23Å; L72-F83 HydrophobicContact CB-CE2 4.12Å; L72-F83 HydrophobicContact CB-CZ 3.55Å; L72-F83 HydrophobicContact CD1-CZ 4.17Å; L72-F83 HydrophobicContact CD2-CD2 4.4Å; L72-F83 HydrophobicContact CD2-CE2 3.15Å; L72-F83 HydrophobicContact CD2-CZ 3.28Å; L72-F83 HydrophobicContact CG-CE2 4.1Å; L72-F83 HydrophobicContact CG-CZ 3.76Å
73G68.8Low66Low0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-63.3-41.5-179.700000112.9D69 V70 L76 F77D69-G73 PolarHBondContact O-N 2.91Å; V70-G73 PolarHBondContact O-N 3.2Å; G73-L76 WeakPolarHBondContact O-CB 3.42Å; G73-L76 PolarHBondContact O-N 3.27Å; G73-F77 VanDerWaalsContact O-CD2 3.23Å; G73-F77 WeakPolarHBondContact O-CD2 3.27Å; G73-F77 PolarHBondContact O-N 3.5Å
74L75.1Confident64.9Low5 Ų552.7 Ų52.73%0.02627%0.266CS..Hα-helixtrans-65-42174-85.6177.8000112.6I63 V70 L72 L76 F77 E78 L124 G127 L131I63-L74 HydrophobicContact CD1-CD2 4.38Å; V70-L74 HydrophobicContact CG1-CD1 4.29Å; V70-L74 WeakPolarHBondContact O-CB 3.42Å; V70-L74 PolarHBondContact O-N 3.03Å; L72-L74 PolarHBondContact O-N 3.23Å; L74-L76 VanDerWaalsContact C-N 3.28Å; L74-L76 PolarHBondContact O-N 3.43Å; L74-F77 PolarHBondContact O-N 3Å; L74-E78 WeakPolarHBondContact O-CB 3.47Å; L74-E78 WeakPolarHBondContact O-CG 3.02Å; L74-E78 PolarHBondContact O-N 3.21Å; L74-L124 HydrophobicContact CD2-CD2 3.89Å; L74-G127 WeakPolarHBondContact CD1-O 3.49Å; L74-L131 HydrophobicContact CD1-CD1 3.27Å; L74-L131 HydrophobicContact CD1-CG 3.77Å
75R72.6Confident63.8Low91 Ų9151.5 Ų51.534%0.34327%0.27SS..Hα-helixtrans-66-34.8176.7-75.7179.6-177.5-169.13.9112.1I71 L72 F77 G79 D80 F83I71-R75 HydrophobicContact CG2-CG 4.48Å; I71-R75 WeakPolarHBondContact O-CB 3.04Å; I71-R75 VanDerWaalsContact O-CG 3.27Å; I71-R75 WeakPolarHBondContact O-CG 3.23Å; I71-R75 PolarHBondContact O-N 3.04Å; L72-R75 PolarHBondContact O-N 3.11Å; R75-F77 VanDerWaalsContact C-N 3.3Å; R75-G79 WeakPolarHBondContact O-CA 3.4Å; R75-G79 PolarHBondContact O-N 2.95Å; R75-D80 PolarHBondContact O-N 3.1Å; R75-D80 VanDerWaalsContact O-N 3.13Å; R75-F83 HydrophobicContact CB-CB 4.45Å; R75-F83 HydrophobicContact CB-CG 4.33Å
76L69.3Low62.8Low7 Ų757.6 Ų57.64%0.03731%0.306CS..Hα-helixtrans-62.2-41.3174.2-169.764.2000110.7F41 T55 Y58 A59 L62 L72 G73 L74 I100 F104F41-L76 HydrophobicContact CZ-CD1 4.13Å; T55-L76 HydrophobicContact CG2-CD1 4.41Å; T55-L76 HydrophobicContact CG2-CD2 4.32Å; T55-L76 HydrophobicContact CG2-CG 4.22Å; Y58-L76 HydrophobicContact CD1-CD2 3.57Å; Y58-L76 HydrophobicContact CE1-CD2 4.09Å; A59-L76 HydrophobicContact CB-CB 4.5Å; A59-L76 HydrophobicContact CB-CD2 3.72Å; A59-L76 HydrophobicContact CB-CG 4.29Å; L62-L76 HydrophobicContact CD1-CD2 4.17Å; L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 PolarHBondContact O-N 3.31Å; G73-L76 WeakPolarHBondContact O-CB 3.42Å; G73-L76 PolarHBondContact O-N 3.27Å; L74-L76 VanDerWaalsContact C-N 3.28Å; L74-L76 PolarHBondContact O-N 3.43Å; L76-I100 HydrophobicContact CD1-CD1 3.78Å; L76-I100 HydrophobicContact CD1-CG1 4.4Å; L76-I100 HydrophobicContact CD1-CG2 3.71Å; L76-I100 HydrophobicContact CG-CG2 4.23Å; L76-I100 WeakPolarHBondContact O-CG2 3.25Å; L76-F104 WeakPolarHBondContact O-CD2 3.4Å; L76-F104 WeakPolarHBondContact O-CE2 3.43Å
77F71.9Confident61.8Low4 Ų461.3 Ų61.32%0.01832%0.322CS..Hα-helixtrans-72.9-46.3174.3-73-46000113.7F56 A59 I63 G73 L74 R75 G79 F104 Y120 F123 L124F56-F77 AromaticContact CD2-CE1 3.89Å; F56-F77 HydrophobicContact CD2-CE1 3.89Å; F56-F77 HydrophobicContact CD2-CZ 4.07Å; F56-F77 HydrophobicContact CE2-CZ 4.42Å; A59-F77 HydrophobicContact CB-CD1 3.78Å; A59-F77 HydrophobicContact CB-CD2 3.95Å; A59-F77 HydrophobicContact CB-CE1 3.36Å; A59-F77 HydrophobicContact CB-CE2 3.47Å; A59-F77 VanDerWaalsContact CB-CE2 3.47Å; A59-F77 HydrophobicContact CB-CG 4.13Å; A59-F77 HydrophobicContact CB-CZ 3.2Å; I63-F77 HydrophobicContact CD1-CD2 3.7Å; I63-F77 HydrophobicContact CD1-CE2 3.46Å; I63-F77 VanDerWaalsContact CD1-CE2 3.46Å; I63-F77 HydrophobicContact CG1-CE2 4.24Å; G73-F77 VanDerWaalsContact O-CD2 3.23Å; G73-F77 WeakPolarHBondContact O-CD2 3.27Å; G73-F77 PolarHBondContact O-N 3.5Å; L74-F77 PolarHBondContact O-N 3Å; R75-F77 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.22Å; F77-G79 VanDerWaalsContact O-N 3.16Å; F77-F104 HydrophobicContact CD1-CD1 4.17Å; F77-F104 AromaticContact CD1-CE1 3.54Å; F77-F104 HydrophobicContact CD1-CE1 3.54Å; F77-F104 AromaticContact CD1-CE2 3.94Å; F77-F104 HydrophobicContact CD1-CE2 3.94Å; F77-F104 AromaticContact CD1-CZ 3.41Å; F77-F104 HydrophobicContact CD1-CZ 3.41Å; F77-F104 VanDerWaalsContact CD1-CZ 3.41Å; F77-F104 AromaticContact CE1-CE1 3.66Å; F77-F104 HydrophobicContact CE1-CE1 3.66Å; F77-F104 AromaticContact CE1-CZ 3.63Å; F77-F104 HydrophobicContact CE1-CZ 3.63Å; F77-Y120 HydrophobicContact CB-CE2 3.96Å; F77-Y120 AromaticContact CD1-CD2 3.86Å; F77-Y120 HydrophobicContact CD1-CD2 3.86Å; F77-Y120 AromaticContact CD1-CE2 3.28Å; F77-Y120 HydrophobicContact CD1-CE2 3.28Å; F77-Y120 AromaticContact CE1-CD2 3.89Å; F77-Y120 HydrophobicContact CE1-CD2 3.89Å; F77-Y120 AromaticContact CE1-CE2 3.81Å; F77-Y120 HydrophobicContact CE1-CE2 3.81Å; F77-Y120 AromaticContact CG-CE2 3.84Å; F77-Y120 HydrophobicContact CG-CE2 3.84Å; F77-Y120 PolarHBondContact O-OH 2.79Å; F77-F123 HydrophobicContact CE2-CB 4.11Å; F77-F123 HydrophobicContact CZ-CB 4.33Å; F77-L124 HydrophobicContact CB-CD2 3.66Å; F77-L124 HydrophobicContact CD2-CD2 4.44Å; F77-L124 HydrophobicContact CG-CD2 4.36Å
78E71.4Confident61Low76 Ų7658.6 Ų58.636%0.35532%0.323SS..Hα-helixtrans-67.7-12.9177.2-70.5-174160.300112.5L74 D80 K136L74-E78 WeakPolarHBondContact O-CB 3.47Å; L74-E78 WeakPolarHBondContact O-CG 3.02Å; L74-E78 PolarHBondContact O-N 3.21Å; E78-D80 VanDerWaalsContact C-N 3.34Å; E78-D80 PolarHBondContact O-N 3.47Å; E78-K136 IonicContact OE1-NZ 3.15Å
79G63.6Low59.9Low3 Ų360.3 Ų60.33%0.03133%0.332CS..THydrogen-bonded Turntrans65.133.8-179.100000113.2R75 F77 A81 K101R75-G79 WeakPolarHBondContact O-CA 3.4Å; R75-G79 PolarHBondContact O-N 2.95Å; F77-G79 PolarHBondContact O-N 3.22Å; F77-G79 VanDerWaalsContact O-N 3.16Å; G79-A81 PolarHBondContact O-N 3.31Å; G79-K101 WeakPolarHBondContact O-CD 2.85Å
80D61.2Low58.9Low35 Ų3565.5 Ų65.519%0.18736%0.364CS..  trans-77.8109.4179.9-169.2-11.1000110.8R75 E78 R82 F83R75-D80 PolarHBondContact O-N 3.1Å; R75-D80 VanDerWaalsContact O-N 3.13Å; E78-D80 VanDerWaalsContact C-N 3.34Å; E78-D80 PolarHBondContact O-N 3.47Å; D80-R82 PolarHBondContact O-N 3.09Å; D80-R82 VanDerWaalsContact O-N 3.12Å; D80-R82 WeakPolarHBondContact OD1-CB 3.35Å; D80-R82 WeakPolarHBondContact OD1-CG 3.46Å; D80-R82 IonicContact OD1-CZ 3.29Å; D80-R82 PolarHBondContact OD1-N 3.17Å; D80-R82 VanDerWaalsContact OD1-N 3.09Å; D80-R82 IonicContact OD1-NE 3.35Å; D80-R82 PolarHBondContact OD1-NE 2.8Å; D80-R82 IonicContact OD1-NH2 3.51Å; D80-R82 IonicContact OD2-CZ 2.78Å; D80-R82 IonicContact OD2-NE 3.72Å; D80-R82 PolarHBondContact OD2-NE 3.08Å; D80-R82 VanDerWaalsContact OD2-NE 3.15Å; D80-R82 IonicContact OD2-NH2 3.58Å; D80-R82 PolarHBondContact OD2-NH2 3.39Å; D80-F83 WeakPolarHBondContact O-CB 3.49Å; D80-F83 PolarHBondContact O-N 2.76Å
81A52.4Low58.2Low69 Ų6973.4 Ų73.457%0.5740%0.398SS*.THydrogen-bonded Turntrans-65.8-9.1-178.300000114.5G79 F83G79-A81 PolarHBondContact O-N 3.31Å; A81-F83 PolarHBondContact O-N 3.33Å; A81-F83 VanDerWaalsContact O-N 3.1Å
82R54.7Low57Low203 Ų20377.8 Ų77.877%0.76642%0.416SS*.THydrogen-bonded Turntrans-75.38.5177.6-63.2176.3-65.6-177.42.9113.2D80D80-R82 PolarHBondContact O-N 3.09Å; D80-R82 VanDerWaalsContact O-N 3.12Å; D80-R82 WeakPolarHBondContact OD1-CB 3.35Å; D80-R82 WeakPolarHBondContact OD1-CG 3.46Å; D80-R82 IonicContact OD1-CZ 3.29Å; D80-R82 PolarHBondContact OD1-N 3.17Å; D80-R82 VanDerWaalsContact OD1-N 3.09Å; D80-R82 IonicContact OD1-NE 3.35Å; D80-R82 PolarHBondContact OD1-NE 2.8Å; D80-R82 IonicContact OD1-NH2 3.51Å; D80-R82 IonicContact OD2-CZ 2.78Å; D80-R82 IonicContact OD2-NE 3.72Å; D80-R82 PolarHBondContact OD2-NE 3.08Å; D80-R82 VanDerWaalsContact OD2-NE 3.15Å; D80-R82 IonicContact OD2-NH2 3.58Å; D80-R82 PolarHBondContact OD2-NH2 3.39Å
83F51.9Low55.9Low23 Ų2377.2 Ų77.210%0.10141%0.414CS..  trans-101.3105.1-171.9-174.2-111.9000112.1L72 R75 D80 A81 P85 V93 L97L72-F83 HydrophobicContact CB-CE1 4.23Å; L72-F83 HydrophobicContact CB-CE2 4.12Å; L72-F83 HydrophobicContact CB-CZ 3.55Å; L72-F83 HydrophobicContact CD1-CZ 4.17Å; L72-F83 HydrophobicContact CD2-CD2 4.4Å; L72-F83 HydrophobicContact CD2-CE2 3.15Å; L72-F83 HydrophobicContact CD2-CZ 3.28Å; L72-F83 HydrophobicContact CG-CE2 4.1Å; L72-F83 HydrophobicContact CG-CZ 3.76Å; R75-F83 HydrophobicContact CB-CB 4.45Å; R75-F83 HydrophobicContact CB-CG 4.33Å; D80-F83 WeakPolarHBondContact O-CB 3.49Å; D80-F83 PolarHBondContact O-N 2.76Å; A81-F83 PolarHBondContact O-N 3.33Å; A81-F83 VanDerWaalsContact O-N 3.1Å; F83-P85 HydrophobicContact CE1-CB 4.32Å; F83-P85 HydrophobicContact CE1-CG 4.17Å; F83-P85 HydrophobicContact CZ-CB 4.3Å; F83-V93 WeakPolarHBondContact O-CG1 2.99Å; F83-L97 VanDerWaalsContact O-CD1 3.27Å; F83-L97 WeakPolarHBondContact O-CD1 3.31Å
84A46.6Very low55Low67 Ų6781.5 Ų81.555%0.55444%0.444SS*.  trans-106109.8165.500000108.4T86A84-T86 PolarHBondContact O-N 2.62Å
85P49.1Very low53.9Low61 Ų6186 Ų8640%0.39647%0.467SS..  trans-63.6124.9157.127.4-28.7000106.5F83 I87F83-P85 HydrophobicContact CE1-CB 4.32Å; F83-P85 HydrophobicContact CE1-CG 4.17Å; F83-P85 HydrophobicContact CZ-CB 4.3Å; P85-I87 PolarHBondContact O-N 2.83Å
86T44.9Very low53.1Low147 Ų14783 Ų8390%0.90246%0.457SS*.THydrogen-bonded Turntrans-69.430.9-174.1-33.20000113.9A84A84-T86 PolarHBondContact O-N 2.62Å
87I45.7Very low52.4Low143 Ų14383.2 Ų83.273%0.73346%0.458SS*.THydrogen-bonded Turntrans-103.5-16.8178-62.1-179.6000112.9P85P85-I87 PolarHBondContact O-N 2.83Å
88A46.2Very low51.6Low69 Ų6984.9 Ų84.957%0.5748%0.477SS*.SBendtrans-151.198.7172.200000113.4T90A88-T90 PolarHBondContact O-N 3.25Å
89L41.6Very low51Low154 Ų15482.5 Ų82.581%0.80647%0.467SS*.  trans-19.9108.5162.2-76.1131.4000117.2F91L89-F91 PolarHBondContact O-N 3.15Å
90T46Very low50.9Low120 Ų12082.6 Ų82.674%0.73647%0.467SS*.SBend73.19.8119.358.10000123.3A88A88-T90 PolarHBondContact O-N 3.25Å
91F50.2Low50.9Low165 Ų16586.5 Ų86.572%0.72448%0.482SS*.SBendtrans-146-35.9163-149.6-103.2000114.9L89L89-F91 PolarHBondContact O-N 3.15Å
92F46.2Very low51.3Low146 Ų14685.8 Ų85.864%0.6447%0.473SS*.Hα-helixtrans-70.7-32.9-179.7-78.2-82.5000113.4S94 I95 H96F92-S94 VanDerWaalsContact C-N 3.28Å; F92-S94 PolarHBondContact O-N 3.11Å; F92-I95 PolarHBondContact O-N 3.35Å; F92-I95 VanDerWaalsContact O-N 3.17Å; F92-H96 AromaticContact CD1-NE2 3.58Å; F92-H96 PolarHBondContact O-CD2 2.74Å; F92-H96 PolarHBondContact O-N 3.38Å; F92-H96 VanDerWaalsContact O-N 3.07Å
93V43.9Very low51.8Low34 Ų3477.2 Ų77.221%0.20644%0.442CS..Hα-helixtrans-55.8-40.4-175.8175.40000112.3F83 H96 L97F83-V93 WeakPolarHBondContact O-CG1 2.99Å; V93-H96 PolarHBondContact O-N 3.49Å; V93-L97 HydrophobicContact CG1-CD1 3.29Å; V93-L97 HydrophobicContact CG1-CG 4.19Å; V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 WeakPolarHBondContact O-CD1 3.37Å; V93-L97 WeakPolarHBondContact O-CG 3.39Å; V93-L97 PolarHBondContact O-N 3.26Å
94S50.5Low52.3Low89 Ų8976.2 Ų76.262%0.62244%0.438SS*.Hα-helixtrans-65.9-41.9-179.1-58.50000113F92 G98F92-S94 VanDerWaalsContact C-N 3.28Å; F92-S94 PolarHBondContact O-N 3.11Å; S94-G98 PolarHBondContact O-N 2.91Å
95I53Low53.2Low101 Ų10175 Ų7552%0.51843%0.427SS..Hα-helixtrans-67.7-48.1179.1-62.9176.6000109F92 G98 V99F92-I95 PolarHBondContact O-N 3.35Å; F92-I95 VanDerWaalsContact O-N 3.17Å; I95-G98 PolarHBondContact O-N 3.04Å; I95-V99 WeakPolarHBondContact O-CG2 3.35Å; I95-V99 PolarHBondContact O-N 2.94Å; I95-V99 VanDerWaalsContact O-N 3.11Å
96H55.2Low54Low28 Ų2876 Ų7613%0.1343%0.43CS..Hα-helixtrans-67.7-39.8-176.8-65.8-50.3000113.4L45 F92 V93 G98 V99 I100L45-H96 HydrophobicContact CD2-CB 3.79Å; L45-H96 PolarHBondContact O-CE1 3.04Å; F92-H96 AromaticContact CD1-NE2 3.58Å; F92-H96 PolarHBondContact O-CD2 2.74Å; F92-H96 PolarHBondContact O-N 3.38Å; F92-H96 VanDerWaalsContact O-N 3.07Å; V93-H96 PolarHBondContact O-N 3.49Å; H96-G98 VanDerWaalsContact C-N 3.28Å; H96-G98 PolarHBondContact O-N 3.14Å; H96-V99 WeakPolarHBondContact O-CB 3.47Å; H96-V99 PolarHBondContact O-N 3.42Å; H96-V99 VanDerWaalsContact O-N 3.17Å; H96-I100 VanDerWaalsContact O-CD1 3.31Å; H96-I100 WeakPolarHBondContact O-CD1 3.48Å; H96-I100 VanDerWaalsContact O-CG1 3.28Å; H96-I100 WeakPolarHBondContact O-CG1 3.39Å; H96-I100 PolarHBondContact O-N 3.07Å
97L54.6Low54.8Low10 Ų1070 Ų705%0.05239%0.392CS..Hα-helixtrans-63.5-35.8174-79.3160.5000112.1F83 V93 V99 I100 K101F83-L97 VanDerWaalsContact O-CD1 3.27Å; F83-L97 WeakPolarHBondContact O-CD1 3.31Å; V93-L97 HydrophobicContact CG1-CD1 3.29Å; V93-L97 HydrophobicContact CG1-CG 4.19Å; V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 WeakPolarHBondContact O-CD1 3.37Å; V93-L97 WeakPolarHBondContact O-CG 3.39Å; V93-L97 PolarHBondContact O-N 3.26Å; L97-V99 VanDerWaalsContact C-N 3.33Å; L97-I100 PolarHBondContact O-N 3.34Å; L97-K101 VanDerWaalsContact O-CB 3.31Å; L97-K101 WeakPolarHBondContact O-CB 3.06Å; L97-K101 PolarHBondContact O-N 3.2Å
98G55Low55.6Low40 Ų4065.9 Ų65.941%0.41237%0.371SS..Hα-helixtrans-59.8-44.6172.200000111.9S94 I95 H96 K101 S102S94-G98 PolarHBondContact O-N 2.91Å; I95-G98 PolarHBondContact O-N 3.04Å; H96-G98 VanDerWaalsContact C-N 3.28Å; H96-G98 PolarHBondContact O-N 3.14Å; G98-K101 PolarHBondContact O-N 3.3Å; G98-S102 PolarHBondContact O-N 3.06Å; G98-S102 PolarHBondContact O-OG 3.07Å
99V58.5Low56.5Low25 Ų2568.2 Ų68.215%0.15237%0.374CS..Hα-helixtrans-64.8-44176.7175.10000111.2I95 H96 L97 K101 S102 I103I95-V99 WeakPolarHBondContact O-CG2 3.35Å; I95-V99 PolarHBondContact O-N 2.94Å; I95-V99 VanDerWaalsContact O-N 3.11Å; H96-V99 WeakPolarHBondContact O-CB 3.47Å; H96-V99 PolarHBondContact O-N 3.42Å; H96-V99 VanDerWaalsContact O-N 3.17Å; L97-V99 VanDerWaalsContact C-N 3.33Å; V99-K101 VanDerWaalsContact C-N 3.34Å; V99-K101 PolarHBondContact O-N 3.08Å; V99-S102 PolarHBondContact O-N 3Å; V99-S102 PolarHBondContact O-OG 3.25Å; V99-I103 HydrophobicContact CG1-CD1 3.61Å; V99-I103 HydrophobicContact CG1-CG1 4.34Å; V99-I103 WeakPolarHBondContact O-CB 3.15Å; V99-I103 WeakPolarHBondContact O-CD1 3.43Å; V99-I103 WeakPolarHBondContact O-CG1 3.17Å; V99-I103 PolarHBondContact O-N 3.24Å
100I60.7Low57.3Low5 Ų565.5 Ų65.53%0.02636%0.357CS..Hα-helixtrans-63.1-43.4178-66.8152.4000110.8F41 L45 T55 L76 H96 L97 I103 F104F41-I100 HydrophobicContact CE2-CD1 4.38Å; F41-I100 HydrophobicContact CE2-CG1 4.45Å; F41-I100 HydrophobicContact CZ-CD1 3.62Å; F41-I100 HydrophobicContact CZ-CG1 4.15Å; L45-I100 HydrophobicContact CD2-CD1 4.39Å; T55-I100 HydrophobicContact CG2-CB 4.49Å; T55-I100 HydrophobicContact CG2-CG1 4.19Å; T55-I100 HydrophobicContact CG2-CG2 3.66Å; L76-I100 HydrophobicContact CD1-CD1 3.78Å; L76-I100 HydrophobicContact CD1-CG1 4.4Å; L76-I100 HydrophobicContact CD1-CG2 3.71Å; L76-I100 HydrophobicContact CG-CG2 4.23Å; L76-I100 WeakPolarHBondContact O-CG2 3.25Å; H96-I100 VanDerWaalsContact O-CD1 3.31Å; H96-I100 WeakPolarHBondContact O-CD1 3.48Å; H96-I100 VanDerWaalsContact O-CG1 3.28Å; H96-I100 WeakPolarHBondContact O-CG1 3.39Å; H96-I100 PolarHBondContact O-N 3.07Å; L97-I100 PolarHBondContact O-N 3.34Å; I100-I103 WeakPolarHBondContact O-CB 3.37Å; I100-I103 PolarHBondContact O-N 3.32Å; I100-F104 HydrophobicContact CG2-CD2 3.58Å; I100-F104 HydrophobicContact CG2-CE2 3.45Å; I100-F104 VanDerWaalsContact CG2-CE2 3.45Å; I100-F104 WeakPolarHBondContact O-CD2 3.46Å; I100-F104 PolarHBondContact O-N 2.93Å
101K61.5Low57.6Low118 Ų11866.4 Ų66.451%0.51336%0.357SS..Hα-helixtrans-63.1-42.8175.7-173.8180-168.4170.30111.8G79 L97 G98 V99 I103 F104 A105G79-K101 WeakPolarHBondContact O-CD 2.85Å; L97-K101 VanDerWaalsContact O-CB 3.31Å; L97-K101 WeakPolarHBondContact O-CB 3.06Å; L97-K101 PolarHBondContact O-N 3.2Å; G98-K101 PolarHBondContact O-N 3.3Å; V99-K101 VanDerWaalsContact C-N 3.34Å; V99-K101 PolarHBondContact O-N 3.08Å; K101-I103 VanDerWaalsContact C-N 3.33Å; K101-F104 PolarHBondContact O-N 3.42Å; K101-A105 VanDerWaalsContact O-CB 3.25Å; K101-A105 WeakPolarHBondContact O-CB 3.46Å; K101-A105 PolarHBondContact O-N 3.48Å
102S60.6Low57.8Low54 Ų5465.1 Ų65.138%0.37836%0.358SS..Hα-helixtrans-63.7-43.8177.768.40000110.4G98 V99 F104 A105 D106G98-S102 PolarHBondContact O-N 3.06Å; G98-S102 PolarHBondContact O-OG 3.07Å; V99-S102 PolarHBondContact O-N 3Å; V99-S102 PolarHBondContact O-OG 3.25Å; S102-F104 VanDerWaalsContact C-N 3.34Å; S102-F104 PolarHBondContact O-N 3.16Å; S102-A105 PolarHBondContact O-N 2.77Å; S102-D106 VanDerWaalsContact O-CB 3.28Å; S102-D106 WeakPolarHBondContact O-CB 3.45Å; S102-D106 PolarHBondContact O-N 3.06Å
103I65.4Low58.3Low22 Ų2262.6 Ų62.611%0.11335%0.348CS..Hα-helixtrans-57-45.7176.5-75163.9000111.9A50 T52 V99 I100 K101 L107A50-I103 WeakPolarHBondContact O-CD1 3.25Å; T52-I103 HydrophobicContact CG2-CG2 3.66Å; T52-I103 VanDerWaalsContact OG1-CG2 3.26Å; T52-I103 WeakPolarHBondContact OG1-CG2 3.31Å; V99-I103 HydrophobicContact CG1-CD1 3.61Å; V99-I103 HydrophobicContact CG1-CG1 4.34Å; V99-I103 WeakPolarHBondContact O-CB 3.15Å; V99-I103 WeakPolarHBondContact O-CD1 3.43Å; V99-I103 WeakPolarHBondContact O-CG1 3.17Å; V99-I103 PolarHBondContact O-N 3.24Å; I100-I103 WeakPolarHBondContact O-CB 3.37Å; I100-I103 PolarHBondContact O-N 3.32Å; K101-I103 VanDerWaalsContact C-N 3.33Å; I103-L107 WeakPolarHBondContact O-CB 3.32Å; I103-L107 PolarHBondContact O-N 3.09Å
104F63.8Low59.5Low3 Ų363 Ų631%0.01336%0.36CS..Hα-helixtrans-75.7-35.9180-74.7-59.7000113.2T55 L76 F77 I100 K101 S102 D106 L107 L108 Y120T55-F104 HydrophobicContact CG2-CD2 4.45Å; T55-F104 HydrophobicContact CG2-CE2 3.32Å; T55-F104 HydrophobicContact CG2-CZ 3.44Å; T55-F104 VanDerWaalsContact CG2-CZ 3.44Å; L76-F104 WeakPolarHBondContact O-CD2 3.4Å; L76-F104 WeakPolarHBondContact O-CE2 3.43Å; F77-F104 HydrophobicContact CD1-CD1 4.17Å; F77-F104 AromaticContact CD1-CE1 3.54Å; F77-F104 HydrophobicContact CD1-CE1 3.54Å; F77-F104 AromaticContact CD1-CE2 3.94Å; F77-F104 HydrophobicContact CD1-CE2 3.94Å; F77-F104 AromaticContact CD1-CZ 3.41Å; F77-F104 HydrophobicContact CD1-CZ 3.41Å; F77-F104 VanDerWaalsContact CD1-CZ 3.41Å; F77-F104 AromaticContact CE1-CE1 3.66Å; F77-F104 HydrophobicContact CE1-CE1 3.66Å; F77-F104 AromaticContact CE1-CZ 3.63Å; F77-F104 HydrophobicContact CE1-CZ 3.63Å; I100-F104 HydrophobicContact CG2-CD2 3.58Å; I100-F104 HydrophobicContact CG2-CE2 3.45Å; I100-F104 VanDerWaalsContact CG2-CE2 3.45Å; I100-F104 WeakPolarHBondContact O-CD2 3.46Å; I100-F104 PolarHBondContact O-N 2.93Å; K101-F104 PolarHBondContact O-N 3.42Å; S102-F104 VanDerWaalsContact C-N 3.34Å; S102-F104 PolarHBondContact O-N 3.16Å; F104-D106 VanDerWaalsContact C-N 3.29Å; F104-L107 HydrophobicContact CD1-CD2 4.24Å; F104-L107 PolarHBondContact O-N 3.13Å; F104-L108 WeakPolarHBondContact O-CB 3.41Å; F104-L108 WeakPolarHBondContact O-CG 3.44Å; F104-L108 PolarHBondContact O-N 2.9Å; F104-Y120 AromaticContact CD1-CD2 3.96Å; F104-Y120 HydrophobicContact CD1-CD2 3.96Å; F104-Y120 AromaticContact CD1-CE2 3.41Å; F104-Y120 HydrophobicContact CD1-CE2 3.41Å; F104-Y120 VanDerWaalsContact CD1-CE2 3.41Å; F104-Y120 HydrophobicContact CE1-CD2 4.09Å; F104-Y120 AromaticContact CE1-CE2 3.76Å; F104-Y120 HydrophobicContact CE1-CE2 3.76Å; F104-Y120 HydrophobicContact CG-CE2 4.09Å
105A65.5Low60.5Low40 Ų4063.4 Ų63.433%0.33136%0.355SS..Hα-helixtrans-61.6-42.2172.100000110.8K101 S102 L108 N109K101-A105 VanDerWaalsContact O-CB 3.25Å; K101-A105 WeakPolarHBondContact O-CB 3.46Å; K101-A105 PolarHBondContact O-N 3.48Å; S102-A105 PolarHBondContact O-N 2.77Å; A105-L108 PolarHBondContact O-N 2.97Å; A105-N109 VanDerWaalsContact O-CB 3.31Å; A105-N109 WeakPolarHBondContact O-CB 3.17Å; A105-N109 PolarHBondContact O-N 3.28Å; A105-N109 PolarHBondContact O-ND2 2.91Å; A105-N109 VanDerWaalsContact O-ND2 3.11Å
106D64.7Low61.4Low84 Ų8460.3 Ų60.345%0.44934%0.344SS..Hα-helixtrans-65.3-43.2175.8-67-20.5000110.7S102 F104 L108 N109 Q110S102-D106 VanDerWaalsContact O-CB 3.28Å; S102-D106 WeakPolarHBondContact O-CB 3.45Å; S102-D106 PolarHBondContact O-N 3.06Å; F104-D106 VanDerWaalsContact C-N 3.29Å; D106-L108 VanDerWaalsContact C-N 3.29Å; D106-L108 PolarHBondContact O-N 3.02Å; D106-N109 PolarHBondContact O-N 3.43Å; D106-Q110 WeakPolarHBondContact O-CB 3.48Å; D106-Q110 WeakPolarHBondContact O-CG 3.28Å; D106-Q110 PolarHBondContact O-N 3.27Å
107L62.6Low62.4Low21 Ų2161.8 Ų61.811%0.1135%0.35CS..Hα-helixtrans-61.4-36.5175.2-171.367.5000112.4T52 I103 F104 A116 Y120T52-L107 HydrophobicContact CG2-CB 4.37Å; T52-L107 HydrophobicContact CG2-CD1 4.05Å; T52-L107 HydrophobicContact CG2-CD2 3.86Å; T52-L107 HydrophobicContact CG2-CG 4.32Å; I103-L107 WeakPolarHBondContact O-CB 3.32Å; I103-L107 PolarHBondContact O-N 3.09Å; F104-L107 HydrophobicContact CD1-CD2 4.24Å; F104-L107 PolarHBondContact O-N 3.13Å; L107-A116 HydrophobicContact CD1-CB 4.11Å; L107-Y120 HydrophobicContact CD2-CD2 4.44Å
108L62.4Low63.8Low55 Ų5564 Ų6429%0.28836%0.358SS..Hα-helixtrans-73.8-34.1177-79.2174.5000113F104 A105 D106 K117 Y120F104-L108 WeakPolarHBondContact O-CB 3.41Å; F104-L108 WeakPolarHBondContact O-CG 3.44Å; F104-L108 PolarHBondContact O-N 2.9Å; A105-L108 PolarHBondContact O-N 2.97Å; D106-L108 VanDerWaalsContact C-N 3.29Å; D106-L108 PolarHBondContact O-N 3.02Å; L108-K117 HydrophobicContact CD2-CG 4.45Å; L108-K117 WeakPolarHBondContact O-CE 3.36Å; L108-K117 PolarHBondContact O-NZ 2.85Å; L108-Y120 HydrophobicContact CD1-CE1 3.81Å; L108-Y120 HydrophobicContact CD2-CD1 3.54Å; L108-Y120 HydrophobicContact CD2-CE1 3.53Å; L108-Y120 HydrophobicContact CG-CD1 4.15Å; L108-Y120 HydrophobicContact CG-CE1 3.78Å
109N64.7Low65Low119 Ų11964.2 Ų64.264%0.63635%0.35SS*.Hα-helixtrans-83-18.4179-70.8-28.1000112.9A105 D106 D111A105-N109 VanDerWaalsContact O-CB 3.31Å; A105-N109 WeakPolarHBondContact O-CB 3.17Å; A105-N109 PolarHBondContact O-N 3.28Å; A105-N109 PolarHBondContact O-ND2 2.91Å; A105-N109 VanDerWaalsContact O-ND2 3.11Å; D106-N109 PolarHBondContact O-N 3.43Å; N109-D111 VanDerWaalsContact C-N 3.32Å; N109-D111 PolarHBondContact O-N 2.88Å
110Q58.3Low66Low97 Ų9763.3 Ų63.345%0.45334%0.344SS..  trans-70.490.5171.9-78.4172.626.100109.1D106 D112D106-Q110 WeakPolarHBondContact O-CB 3.48Å; D106-Q110 WeakPolarHBondContact O-CG 3.28Å; D106-Q110 PolarHBondContact O-N 3.27Å; Q110-D112 PolarHBondContact O-N 3.36Å; Q110-D112 VanDerWaalsContact O-N 3.15Å
111D52.4Low67.1Low138 Ų13864.2 Ų64.274%0.73835%0.348SS*.THydrogen-bonded Turntrans-62.2-14.2172-71-35.2000112.8N109 K117N109-D111 VanDerWaalsContact C-N 3.32Å; N109-D111 PolarHBondContact O-N 2.88Å; D111-K117 IonicContact OD1-NZ 3.9Å; D111-K117 PolarHBondContact OD1-NZ 3.49Å
112D53.8Low68.2Low139 Ų13959.3 Ų59.374%0.74333%0.327SS*.THydrogen-bonded Turntrans-78.7-17.4-175.1-16543.8000114Q110Q110-D112 PolarHBondContact O-N 3.36Å; Q110-D112 VanDerWaalsContact O-N 3.15Å
113Q58.1Low69.1Low93 Ų9357.2 Ų57.244%0.43531%0.311SS..  trans-11964.7-176.8-60.6-62.7-29.400111D115 A116 K117Q113-D115 PolarHBondContact O-N 3.47Å; Q113-D115 VanDerWaalsContact O-N 3.12Å; Q113-A116 HydrophobicContact CB-CB 4.12Å; Q113-A116 PolarHBondContact O-N 2.9Å; Q113-A116 VanDerWaalsContact O-N 3.08Å; Q113-K117 PolarHBondContact O-N 3.26Å; Q113-K117 VanDerWaalsContact O-N 3.08Å
114G67.4Low69.9Low43 Ų4356.5 Ų56.544%0.44331%0.307SS..Hα-helixtrans-49.5-37.7179.500000113.4R118G114-R118 VanDerWaalsContact O-CB 3.25Å; G114-R118 WeakPolarHBondContact O-CB 3.4Å; G114-R118 PolarHBondContact O-N 2.99Å
115D72.1Confident71Confident97 Ų9756.3 Ų56.352%0.51931%0.306SS..Hα-helixtrans-65.8-46.3178.1-73.3-40.1000113.1Q113 R118 D119Q113-D115 PolarHBondContact O-N 3.47Å; Q113-D115 VanDerWaalsContact O-N 3.12Å; D115-R118 WeakPolarHBondContact O-CB 3.27Å; D115-R118 PolarHBondContact O-N 3.47Å; D115-R118 IonicContact OD1-CZ 3.38Å; D115-R118 IonicContact OD1-NH1 2.82Å; D115-R118 PolarHBondContact OD1-NH1 3.33Å; D115-R118 IonicContact OD1-NH2 3.14Å; D115-R118 PolarHBondContact OD1-NH2 2.91Å; D115-D119 PolarHBondContact O-N 3.12Å
116A72.4Confident71.8Confident36 Ų3654.4 Ų54.430%0.29829%0.291SS..Hα-helixtrans-68.5-40.2-179.500000111.5L107 Q113 R118 D119 Y120L107-A116 HydrophobicContact CD1-CB 4.11Å; Q113-A116 HydrophobicContact CB-CB 4.12Å; Q113-A116 PolarHBondContact O-N 2.9Å; Q113-A116 VanDerWaalsContact O-N 3.08Å; A116-R118 VanDerWaalsContact C-N 3.35Å; A116-D119 PolarHBondContact O-N 3.1Å; A116-Y120 VanDerWaalsContact O-CB 3.26Å; A116-Y120 WeakPolarHBondContact O-CB 3.41Å; A116-Y120 PolarHBondContact O-N 3.37Å
117K76.9Confident72.4Confident59 Ų5950.4 Ų50.426%0.25727%0.269SS..Hα-helixtrans-62.8-41.4174.7-176.8169.4179.61630111.4L108 D111 Q113 Y120 L121L108-K117 HydrophobicContact CD2-CG 4.45Å; L108-K117 WeakPolarHBondContact O-CE 3.36Å; L108-K117 PolarHBondContact O-NZ 2.85Å; D111-K117 IonicContact OD1-NZ 3.9Å; D111-K117 PolarHBondContact OD1-NZ 3.49Å; Q113-K117 PolarHBondContact O-N 3.26Å; Q113-K117 VanDerWaalsContact O-N 3.08Å; K117-Y120 PolarHBondContact O-N 3.47Å; K117-L121 HydrophobicContact CG-CD1 4.38Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.48Å; K117-L121 PolarHBondContact O-N 3.42Å
118R83Confident73.3Confident56 Ų5649.5 Ų49.521%0.21126%0.264CS..Hα-helixtrans-60.2-52.4174.1177.5-171.268-137.4-9111.2G114 D115 A116 Y120 L121 Y122 I144 E148 N151G114-R118 VanDerWaalsContact O-CB 3.25Å; G114-R118 WeakPolarHBondContact O-CB 3.4Å; G114-R118 PolarHBondContact O-N 2.99Å; D115-R118 WeakPolarHBondContact O-CB 3.27Å; D115-R118 PolarHBondContact O-N 3.47Å; D115-R118 IonicContact OD1-CZ 3.38Å; D115-R118 IonicContact OD1-NH1 2.82Å; D115-R118 PolarHBondContact OD1-NH1 3.33Å; D115-R118 IonicContact OD1-NH2 3.14Å; D115-R118 PolarHBondContact OD1-NH2 2.91Å; A116-R118 VanDerWaalsContact C-N 3.35Å; R118-Y120 VanDerWaalsContact C-N 3.26Å; R118-Y120 PolarHBondContact O-N 2.96Å; R118-L121 PolarHBondContact O-N 3.42Å; R118-Y122 WeakPolarHBondContact O-CB 3.42Å; R118-Y122 PolarHBondContact O-N 3.29Å; R118-I144 HydrophobicContact CG-CG1 4.47Å; R118-I144 HydrophobicContact CG-CG2 3.92Å; R118-E148 VanDerWaalsContact CD-OE2 3.32Å; R118-E148 WeakPolarHBondContact CD-OE2 3.44Å; R118-E148 IonicContact NH1-OE1 3.06Å; R118-E148 PolarHBondContact NH1-OE1 3.25Å; R118-E148 IonicContact NH1-OE2 3.89Å; R118-N151 WeakPolarHBondContact CD-ND2 3.36Å
119D80.3Confident74.3Confident45 Ų4547 Ų4724%0.24125%0.251CS..Hα-helixtrans-61-40.4-178.1-72.73.8000110.8M1 F56 D115 A116 Y122 F123M1-D119 HydrophobicContact CE-CB 4.42Å; F56-D119 HydrophobicContact CZ-CB 4.36Å; D115-D119 PolarHBondContact O-N 3.12Å; A116-D119 PolarHBondContact O-N 3.1Å; D119-Y122 WeakPolarHBondContact O-CB 3.3Å; D119-Y122 PolarHBondContact O-N 2.71Å; D119-F123 WeakPolarHBondContact O-CD2 3.4Å; D119-F123 PolarHBondContact O-N 3.06Å
120Y78.5Confident74.9Confident6 Ų642.1 Ų42.12%0.02422%0.224CC..Hα-helixtrans-60.7-50.9174.2177.5-95.8000113.2F77 F104 L107 L108 A116 K117 R118 Y122 F123 L124F77-Y120 HydrophobicContact CB-CE2 3.96Å; F77-Y120 AromaticContact CD1-CD2 3.86Å; F77-Y120 HydrophobicContact CD1-CD2 3.86Å; F77-Y120 AromaticContact CD1-CE2 3.28Å; F77-Y120 HydrophobicContact CD1-CE2 3.28Å; F77-Y120 AromaticContact CE1-CD2 3.89Å; F77-Y120 HydrophobicContact CE1-CD2 3.89Å; F77-Y120 AromaticContact CE1-CE2 3.81Å; F77-Y120 HydrophobicContact CE1-CE2 3.81Å; F77-Y120 AromaticContact CG-CE2 3.84Å; F77-Y120 HydrophobicContact CG-CE2 3.84Å; F77-Y120 PolarHBondContact O-OH 2.79Å; F104-Y120 AromaticContact CD1-CD2 3.96Å; F104-Y120 HydrophobicContact CD1-CD2 3.96Å; F104-Y120 AromaticContact CD1-CE2 3.41Å; F104-Y120 HydrophobicContact CD1-CE2 3.41Å; F104-Y120 VanDerWaalsContact CD1-CE2 3.41Å; F104-Y120 HydrophobicContact CE1-CD2 4.09Å; F104-Y120 AromaticContact CE1-CE2 3.76Å; F104-Y120 HydrophobicContact CE1-CE2 3.76Å; F104-Y120 HydrophobicContact CG-CE2 4.09Å; L107-Y120 HydrophobicContact CD2-CD2 4.44Å; L108-Y120 HydrophobicContact CD1-CE1 3.81Å; L108-Y120 HydrophobicContact CD2-CD1 3.54Å; L108-Y120 HydrophobicContact CD2-CE1 3.53Å; L108-Y120 HydrophobicContact CG-CD1 4.15Å; L108-Y120 HydrophobicContact CG-CE1 3.78Å; A116-Y120 VanDerWaalsContact O-CB 3.26Å; A116-Y120 WeakPolarHBondContact O-CB 3.41Å; A116-Y120 PolarHBondContact O-N 3.37Å; K117-Y120 PolarHBondContact O-N 3.47Å; R118-Y120 VanDerWaalsContact C-N 3.26Å; R118-Y120 PolarHBondContact O-N 2.96Å; Y120-Y122 PolarHBondContact O-N 3.39Å; Y120-F123 PolarHBondContact O-N 3.2Å; Y120-L124 HydrophobicContact CD1-CD1 3.89Å; Y120-L124 HydrophobicContact CD1-CG 4.4Å; Y120-L124 HydrophobicContact CE1-CD1 3.21Å; Y120-L124 HydrophobicContact CE1-CG 3.91Å; Y120-L124 PolarHBondContact O-N 3.35Å
121L84.1Confident75.9Confident24 Ų2439.5 Ų39.513%0.12621%0.213CC..Hα-helixtrans-59.1-36.4176.6-73.2172000111.6K117 R118 L124 A125 Y140 A143 I144K117-L121 HydrophobicContact CG-CD1 4.38Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.48Å; K117-L121 PolarHBondContact O-N 3.42Å; R118-L121 PolarHBondContact O-N 3.42Å; L121-L124 PolarHBondContact O-N 3.36Å; L121-A125 PolarHBondContact O-N 2.6Å; L121-Y140 HydrophobicContact CD2-CD1 3.78Å; L121-Y140 HydrophobicContact CD2-CE1 4.49Å; L121-A143 HydrophobicContact CD1-CB 4.31Å; L121-I144 HydrophobicContact CB-CD1 3.81Å; L121-I144 HydrophobicContact CB-CG1 3.76Å; L121-I144 HydrophobicContact CD1-CG1 4.02Å
122Y84.6Confident77.4Confident14 Ų1438.1 Ų38.16%0.05520%0.201CC..Hα-helixtrans-65.2-44.1177.8-176.3-90.8000111.7V4 R118 D119 Y120 A125 I126 L157V4-Y122 WeakPolarHBondContact CG2-OH 3.46Å; R118-Y122 WeakPolarHBondContact O-CB 3.42Å; R118-Y122 PolarHBondContact O-N 3.29Å; D119-Y122 WeakPolarHBondContact O-CB 3.3Å; D119-Y122 PolarHBondContact O-N 2.71Å; Y120-Y122 PolarHBondContact O-N 3.39Å; Y122-A125 WeakPolarHBondContact O-CB 3.44Å; Y122-A125 PolarHBondContact O-N 3.24Å; Y122-I126 HydrophobicContact CD1-CD1 3.73Å; Y122-I126 HydrophobicContact CD1-CG1 4.5Å; Y122-I126 HydrophobicContact CE1-CD1 3.26Å; Y122-I126 HydrophobicContact CE1-CG1 4.25Å; Y122-I126 WeakPolarHBondContact O-CG1 3.49Å; Y122-I126 PolarHBondContact O-N 2.96Å; Y122-L157 HydrophobicContact CD2-CD2 3.59Å; Y122-L157 HydrophobicContact CE2-CB 4.22Å; Y122-L157 HydrophobicContact CE2-CD2 3.49Å; Y122-L157 VanDerWaalsContact CE2-CD2 3.49Å; Y122-L157 HydrophobicContact CE2-CG 4.35Å; Y122-L157 HydrophobicContact CG-CD2 4.37Å
123F80.7Confident78.8Confident11 Ų1134.8 Ų34.85%0.04818%0.183CC..Hα-helixtrans-67.8-37.8175.1-75.3-64000112.8M1 F56 N60 I63 F77 D119 Y120 A125 I126 G127M1-F123 HydrophobicContact CE-CE2 4.1Å; M1-F123 HydrophobicContact CE-CZ 4.2Å; F56-F123 HydrophobicContact CE1-CE2 4.2Å; F56-F123 AromaticContact CE2-CD2 3.71Å; F56-F123 HydrophobicContact CE2-CD2 3.71Å; F56-F123 HydrophobicContact CE2-CE2 4.15Å; F56-F123 AromaticContact CZ-CD2 3.49Å; F56-F123 HydrophobicContact CZ-CD2 3.49Å; F56-F123 VanDerWaalsContact CZ-CD2 3.49Å; F56-F123 AromaticContact CZ-CE2 3.44Å; F56-F123 HydrophobicContact CZ-CE2 3.44Å; F56-F123 VanDerWaalsContact CZ-CE2 3.44Å; N60-F123 WeakPolarHBondContact OD1-CE1 3.26Å; N60-F123 WeakPolarHBondContact OD1-CZ 3.41Å; I63-F123 HydrophobicContact CD1-CB 4.31Å; I63-F123 VanDerWaalsContact CD1-O 3.28Å; I63-F123 WeakPolarHBondContact CD1-O 3.38Å; F77-F123 HydrophobicContact CE2-CB 4.11Å; F77-F123 HydrophobicContact CZ-CB 4.33Å; D119-F123 WeakPolarHBondContact O-CD2 3.4Å; D119-F123 PolarHBondContact O-N 3.06Å; Y120-F123 PolarHBondContact O-N 3.2Å; F123-A125 VanDerWaalsContact C-N 3.29Å; F123-A125 PolarHBondContact O-N 2.9Å; F123-I126 PolarHBondContact O-N 3.24Å; F123-G127 PolarHBondContact O-N 2.84Å
124L82.4Confident80.2Confident6 Ų632.4 Ų32.43%0.03117%0.17CC..Hα-helixtrans-58.4-42.4171.2-81.9-178.9000111.8L74 F77 Y120 L121 N128 Y140L74-L124 HydrophobicContact CD2-CD2 3.89Å; F77-L124 HydrophobicContact CB-CD2 3.66Å; F77-L124 HydrophobicContact CD2-CD2 4.44Å; F77-L124 HydrophobicContact CG-CD2 4.36Å; Y120-L124 HydrophobicContact CD1-CD1 3.89Å; Y120-L124 HydrophobicContact CD1-CG 4.4Å; Y120-L124 HydrophobicContact CE1-CD1 3.21Å; Y120-L124 HydrophobicContact CE1-CG 3.91Å; Y120-L124 PolarHBondContact O-N 3.35Å; L121-L124 PolarHBondContact O-N 3.36Å; L124-N128 WeakPolarHBondContact O-CB 3.39Å; L124-N128 PolarHBondContact O-N 2.83Å; L124-N128 PolarHBondContact O-ND2 2.89Å; L124-Y140 HydrophobicContact CB-CD1 4.47Å; L124-Y140 HydrophobicContact CB-CD2 3.89Å; L124-Y140 HydrophobicContact CB-CE2 3.95Å; L124-Y140 HydrophobicContact CB-CG 4.17Å; L124-Y140 HydrophobicContact CD1-CD1 4.27Å; L124-Y140 HydrophobicContact CD1-CE1 3.85Å; L124-Y140 HydrophobicContact CD1-CE2 4.49Å
125A85.1Confident81.2Confident0 Ų036.6 Ų36.60%018%0.182CC..Hα-helixtrans-60.4-51.6174.800000110.8L121 Y122 F123 G127 N128 I129 V141 L157L121-A125 PolarHBondContact O-N 2.6Å; Y122-A125 WeakPolarHBondContact O-CB 3.44Å; Y122-A125 PolarHBondContact O-N 3.24Å; F123-A125 VanDerWaalsContact C-N 3.29Å; F123-A125 PolarHBondContact O-N 2.9Å; A125-G127 PolarHBondContact O-N 2.69Å; A125-N128 PolarHBondContact O-N 3.16Å; A125-N128 VanDerWaalsContact O-N 3.09Å; A125-I129 VanDerWaalsContact O-CG1 3.24Å; A125-I129 WeakPolarHBondContact O-CG1 3.41Å; A125-I129 PolarHBondContact O-N 3.15Å; A125-V141 HydrophobicContact CB-CG2 3.7Å; A125-L157 HydrophobicContact CB-CD2 3.97Å
126I83.3Confident81.9Confident0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-56.6-46.7178.9-70.6175.1000112.2I7 I63 Y122 F123 N128 I129 K130 L157I7-I126 HydrophobicContact CB-CD1 4.48Å; I7-I126 HydrophobicContact CD1-CD1 4.11Å; I7-I126 HydrophobicContact CG2-CD1 4.02Å; I7-I126 HydrophobicContact CG2-CG2 3.75Å; I63-I126 HydrophobicContact CG2-CB 4.31Å; I63-I126 HydrophobicContact CG2-CG2 3.62Å; Y122-I126 HydrophobicContact CD1-CD1 3.73Å; Y122-I126 HydrophobicContact CD1-CG1 4.5Å; Y122-I126 HydrophobicContact CE1-CD1 3.26Å; Y122-I126 HydrophobicContact CE1-CG1 4.25Å; Y122-I126 WeakPolarHBondContact O-CG1 3.49Å; Y122-I126 PolarHBondContact O-N 2.96Å; F123-I126 PolarHBondContact O-N 3.24Å; I126-N128 VanDerWaalsContact C-N 3.3Å; I126-N128 PolarHBondContact O-N 3.33Å; I126-I129 WeakPolarHBondContact O-CB 3.44Å; I126-I129 PolarHBondContact O-N 3.34Å; I126-K130 PolarHBondContact O-N 2.95Å; I126-K130 VanDerWaalsContact O-N 3.07Å; I126-L157 HydrophobicContact CG1-CD1 4.48Å
127G77.2Confident82.6Confident0 Ų034.7 Ų34.70%016%0.163CC..Hα-helixtrans-59.1-44.3177.400000111.3L74 F123 A125 I129 K130 L131L74-G127 WeakPolarHBondContact CD1-O 3.49Å; F123-G127 PolarHBondContact O-N 2.84Å; A125-G127 PolarHBondContact O-N 2.69Å; G127-I129 VanDerWaalsContact C-N 3.34Å; G127-I129 PolarHBondContact O-N 3.22Å; G127-K130 PolarHBondContact O-N 2.83Å; G127-L131 PolarHBondContact O-N 3.29Å; G127-L131 VanDerWaalsContact O-N 3.11Å
128N82.7Confident83.3Confident1 Ų133.4 Ų33.41%0.00516%0.159CC..Hα-helixtrans-66.9-34.5179.1-83.3-84.5000112.4L124 A125 I126 L131 K132 N133 K136 A137 Y140L124-N128 WeakPolarHBondContact O-CB 3.39Å; L124-N128 PolarHBondContact O-N 2.83Å; L124-N128 PolarHBondContact O-ND2 2.89Å; A125-N128 PolarHBondContact O-N 3.16Å; A125-N128 VanDerWaalsContact O-N 3.09Å; I126-N128 VanDerWaalsContact C-N 3.3Å; I126-N128 PolarHBondContact O-N 3.33Å; N128-L131 CarbonylContact O-C 3.31Å; N128-L131 PolarHBondContact O-N 3.2Å; N128-K132 PolarHBondContact O-N 3.4Å; N128-K132 VanDerWaalsContact O-N 3.08Å; N128-N133 HydrophobicContact CB-CB 4.19Å; N128-N133 PolarHBondContact O-N 3.36Å; N128-K136 HydrophobicContact CB-CB 4.36Å; N128-K136 WeakPolarHBondContact OD1-CD 3.47Å; N128-A137 HydrophobicContact CB-CB 3.91Å; N128-Y140 WeakPolarHBondContact ND2-CE2 3.42Å
129I83.3Confident83.7Confident3 Ų333.9 Ų33.92%0.01517%0.17CC..Hα-helixtrans-60.9-47173.4-65.2166.6000110.8I8 A125 I126 G127 L131 K132 Y134 A137 L157 I161I8-I129 HydrophobicContact CD1-CD1 3.82Å; I8-I129 HydrophobicContact CD1-CG2 4.34Å; I8-I129 HydrophobicContact CG1-CD1 4.46Å; I8-I129 HydrophobicContact CG1-CG2 4.43Å; I8-I129 HydrophobicContact CG2-CG2 3.51Å; A125-I129 VanDerWaalsContact O-CG1 3.24Å; A125-I129 WeakPolarHBondContact O-CG1 3.41Å; A125-I129 PolarHBondContact O-N 3.15Å; I126-I129 WeakPolarHBondContact O-CB 3.44Å; I126-I129 PolarHBondContact O-N 3.34Å; G127-I129 VanDerWaalsContact C-N 3.34Å; G127-I129 PolarHBondContact O-N 3.22Å; I129-L131 PolarHBondContact O-N 2.95Å; I129-K132 WeakPolarHBondContact O-CA 3.42Å; I129-K132 PolarHBondContact O-N 3.1Å; I129-Y134 HydrophobicContact CG2-CE1 4.23Å; I129-A137 HydrophobicContact CD1-CB 4.5Å; I129-A137 HydrophobicContact CG1-CB 3.64Å; I129-L157 HydrophobicContact CD1-CD1 3.62Å; I129-L157 HydrophobicContact CD1-CG 4.39Å; I129-I161 HydrophobicContact CD1-CD1 3.81Å; I129-I161 HydrophobicContact CD1-CG1 3.35Å; I129-I161 HydrophobicContact CG1-CD1 4.23Å; I129-I161 HydrophobicContact CG1-CG1 3.69Å
130K77.4Confident84.1Confident16 Ų1634 Ų347%0.0717%0.168CC..Hα-helixtrans-63.9-28.8178-74.7-168.7175.4-170.70112.7I7 I63 V70 I126 G127 K132I7-K130 WeakPolarHBondContact O-CE 3.34Å; I7-K130 PolarHBondContact O-NZ 3.15Å; I63-K130 WeakPolarHBondContact O-CE 3.23Å; I63-K130 PolarHBondContact O-NZ 2.97Å; V70-K130 HydrophobicContact CG1-CB 3.89Å; V70-K130 HydrophobicContact CG1-CD 4.38Å; V70-K130 HydrophobicContact CG2-CB 4.2Å; V70-K130 HydrophobicContact CG2-CD 3.5Å; I126-K130 PolarHBondContact O-N 2.95Å; I126-K130 VanDerWaalsContact O-N 3.07Å; G127-K130 PolarHBondContact O-N 2.83Å; K130-K132 VanDerWaalsContact C-N 3.29Å
131L79Confident84.7Confident42 Ų4233.7 Ų33.722%0.2217%0.167CC..THydrogen-bonded Turntrans-83.80.6170.7-62-168.4000114V70 I71 L74 G127 N128 I129 N133V70-L131 HydrophobicContact CG1-CD2 4.21Å; V70-L131 HydrophobicContact CG1-CG 4.24Å; I71-L131 HydrophobicContact CD1-CD2 4.3Å; I71-L131 HydrophobicContact CG1-CD1 4.21Å; I71-L131 HydrophobicContact CG1-CD2 3.54Å; L74-L131 HydrophobicContact CD1-CD1 3.27Å; L74-L131 HydrophobicContact CD1-CG 3.77Å; G127-L131 PolarHBondContact O-N 3.29Å; G127-L131 VanDerWaalsContact O-N 3.11Å; N128-L131 CarbonylContact O-C 3.31Å; N128-L131 PolarHBondContact O-N 3.2Å; I129-L131 PolarHBondContact O-N 2.95Å; L131-N133 PolarHBondContact O-N 2.89Å
132K82.4Confident85Confident109 Ų10935.7 Ų35.747%0.47418%0.177SC..THydrogen-bonded Turntrans60.919.4-175.8-52.2-175.3179-174.10113.9E10 N128 I129 K130 Y134E10-K132 WeakPolarHBondContact OE1-CE 3.28Å; E10-K132 IonicContact OE1-NZ 3.07Å; N128-K132 PolarHBondContact O-N 3.4Å; N128-K132 VanDerWaalsContact O-N 3.08Å; I129-K132 WeakPolarHBondContact O-CA 3.42Å; I129-K132 PolarHBondContact O-N 3.1Å; K130-K132 VanDerWaalsContact C-N 3.29Å; K132-Y134 HydrophobicContact CB-CE2 4.07Å; K132-Y134 WeakPolarHBondContact O-CD2 3.49Å; K132-Y134 PolarHBondContact O-N 3.42Å
133N84.9Confident85.2Confident69 Ų6936.2 Ų36.237%0.36919%0.185SC..  trans-8465.6173.1-68.5-17.2000109.4N128 L131 D135 K136 A137N128-N133 HydrophobicContact CB-CB 4.19Å; N128-N133 PolarHBondContact O-N 3.36Å; L131-N133 PolarHBondContact O-N 2.89Å; N133-D135 VanDerWaalsContact C-N 3.31Å; N133-D135 PolarHBondContact O-N 3.39Å; N133-K136 HydrophobicContact CB-CB 4.47Å; N133-K136 PolarHBondContact O-N 3.15Å; N133-A137 PolarHBondContact O-N 3.44Å
134Y86.2Confident85.6Confident43 Ų4336 Ų3617%0.16918%0.184CC..Hα-helixtrans-66.3-32-171-55.6-62.8000113.5I129 K132 K136 A137 L138 I161 R164 M165I129-Y134 HydrophobicContact CG2-CE1 4.23Å; K132-Y134 HydrophobicContact CB-CE2 4.07Å; K132-Y134 WeakPolarHBondContact O-CD2 3.49Å; K132-Y134 PolarHBondContact O-N 3.42Å; Y134-K136 VanDerWaalsContact C-N 3.33Å; Y134-K136 PolarHBondContact O-N 3.2Å; Y134-A137 PolarHBondContact O-N 2.83Å; Y134-L138 WeakPolarHBondContact O-CB 3.15Å; Y134-L138 PolarHBondContact O-N 2.71Å; Y134-I161 HydrophobicContact CD1-CG2 4.27Å; Y134-R164 HydrophobicContact CE1-CB 3.83Å; Y134-M165 VanDerWaalsContact CB-SD 3.58Å; Y134-M165 HydrophobicContact CD1-CG 4.07Å; Y134-M165 HydrophobicContact CD2-CB 4.36Å; Y134-M165 HydrophobicContact CD2-CG 3.54Å; Y134-M165 HydrophobicContact CE2-CG 4.33Å; Y134-M165 HydrophobicContact CG-CG 3.36Å; Y134-M165 HydrophobicContact CG-SD 4.35Å
135D88.5Confident85.9Confident131 Ų13137.3 Ų37.370%0.70119%0.191SC*.Hα-helixtrans-60.3-43.7177.5-55.6-60.4000111.6N133 S139N133-D135 VanDerWaalsContact C-N 3.31Å; N133-D135 PolarHBondContact O-N 3.39Å; D135-S139 PolarHBondContact O-N 3.22Å; D135-S139 VanDerWaalsContact O-N 3.15Å
136K87.9Confident86Confident93 Ų9347.2 Ų47.240%0.40423%0.228SC..Hα-helixtrans-68.7-41.9174.1-73.3-173.4171.3-168.20111.7E78 N128 N133 Y134 L138 S139 Y140E78-K136 IonicContact OE1-NZ 3.15Å; N128-K136 HydrophobicContact CB-CB 4.36Å; N128-K136 WeakPolarHBondContact OD1-CD 3.47Å; N133-K136 HydrophobicContact CB-CB 4.47Å; N133-K136 PolarHBondContact O-N 3.15Å; Y134-K136 VanDerWaalsContact C-N 3.33Å; Y134-K136 PolarHBondContact O-N 3.2Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.05Å; K136-S139 PolarHBondContact O-N 2.94Å; K136-S139 PolarHBondContact O-OG 2.89Å; K136-Y140 HydrophobicContact CB-CE2 4.27Å; K136-Y140 WeakPolarHBondContact O-CD2 3.43Å; K136-Y140 PolarHBondContact O-N 3.24Å
137A87.3Confident86.2Confident0 Ų052.5 Ų52.50%026%0.26CS..Hα-helixtrans-60.4-43.7178.700000111.6N128 I129 N133 Y134 Y140 V141 I161N128-A137 HydrophobicContact CB-CB 3.91Å; I129-A137 HydrophobicContact CD1-CB 4.5Å; I129-A137 HydrophobicContact CG1-CB 3.64Å; N133-A137 PolarHBondContact O-N 3.44Å; Y134-A137 PolarHBondContact O-N 2.83Å; A137-Y140 PolarHBondContact O-N 3.46Å; A137-V141 WeakPolarHBondContact O-CG2 3.44Å; A137-V141 PolarHBondContact O-N 3.09Å; A137-V141 VanDerWaalsContact O-N 3.15Å; A137-I161 HydrophobicContact CB-CD1 4.01Å; A137-I161 HydrophobicContact CB-CG1 4.43Å
138L90.4Very high86.6Confident33 Ų3355.3 Ų55.317%0.17327%0.274CS..Hα-helixtrans-64.1-42.5178.6-172.362.3000111.3Y134 K136 Y140 V141 D142 R158 I161Y134-L138 WeakPolarHBondContact O-CB 3.15Å; Y134-L138 PolarHBondContact O-N 2.71Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.05Å; L138-Y140 VanDerWaalsContact C-N 3.3Å; L138-Y140 PolarHBondContact O-N 3.15Å; L138-V141 PolarHBondContact O-N 2.89Å; L138-V141 VanDerWaalsContact O-N 3.16Å; L138-D142 WeakPolarHBondContact O-CB 2.99Å; L138-D142 VanDerWaalsContact O-CG 3.32Å; L138-D142 PolarHBondContact O-N 3.36Å; L138-R158 HydrophobicContact CD1-CG 3.68Å; L138-I161 HydrophobicContact CB-CG2 4.48Å
139S91.9Very high86.8Confident65 Ų6560.3 Ų60.346%0.45531%0.306SS..Hα-helixtrans-62-35.6178.373.10000113.2D135 K136 A143D135-S139 PolarHBondContact O-N 3.22Å; D135-S139 VanDerWaalsContact O-N 3.15Å; K136-S139 PolarHBondContact O-N 2.94Å; K136-S139 PolarHBondContact O-OG 2.89Å; S139-A143 WeakPolarHBondContact O-CB 3.4Å; S139-A143 PolarHBondContact O-N 3.29Å; S139-A143 VanDerWaalsContact O-N 3.08Å
140Y89.5Confident87Confident47 Ų4764.6 Ų64.618%0.18434%0.342CS..Hα-helixtrans-68.4-41.3173.8-65.2-51.5000112.5L121 L124 N128 K136 A137 L138 A143 I144L121-Y140 HydrophobicContact CD2-CD1 3.78Å; L121-Y140 HydrophobicContact CD2-CE1 4.49Å; L124-Y140 HydrophobicContact CB-CD1 4.47Å; L124-Y140 HydrophobicContact CB-CD2 3.89Å; L124-Y140 HydrophobicContact CB-CE2 3.95Å; L124-Y140 HydrophobicContact CB-CG 4.17Å; L124-Y140 HydrophobicContact CD1-CD1 4.27Å; L124-Y140 HydrophobicContact CD1-CE1 3.85Å; L124-Y140 HydrophobicContact CD1-CE2 4.49Å; N128-Y140 WeakPolarHBondContact ND2-CE2 3.42Å; K136-Y140 HydrophobicContact CB-CE2 4.27Å; K136-Y140 WeakPolarHBondContact O-CD2 3.43Å; K136-Y140 PolarHBondContact O-N 3.24Å; A137-Y140 PolarHBondContact O-N 3.46Å; L138-Y140 VanDerWaalsContact C-N 3.3Å; L138-Y140 PolarHBondContact O-N 3.15Å; Y140-A143 WeakPolarHBondContact O-CB 3.23Å; Y140-A143 PolarHBondContact O-N 3.22Å; Y140-I144 PolarHBondContact O-N 3.35Å
141V89.2Confident87.4Confident0 Ų064.8 Ų64.80%034%0.344CS..Hα-helixtrans-68.5-42178.2175.70000111.6A125 A137 L138 A143 I144 L145 A154 L157 R158 I161A125-V141 HydrophobicContact CB-CG2 3.7Å; A137-V141 WeakPolarHBondContact O-CG2 3.44Å; A137-V141 PolarHBondContact O-N 3.09Å; A137-V141 VanDerWaalsContact O-N 3.15Å; L138-V141 PolarHBondContact O-N 2.89Å; L138-V141 VanDerWaalsContact O-N 3.16Å; V141-A143 PolarHBondContact O-N 3.04Å; V141-I144 WeakPolarHBondContact O-CB 3.33Å; V141-I144 PolarHBondContact O-N 3.41Å; V141-L145 HydrophobicContact CG1-CD1 4.05Å; V141-L145 HydrophobicContact CG1-CG 4.47Å; V141-L145 PolarHBondContact O-N 3.18Å; V141-A154 HydrophobicContact CG1-CB 4.34Å; V141-A154 WeakPolarHBondContact CG1-O 2.95Å; V141-L157 HydrophobicContact CG2-CD2 3.55Å; V141-L157 HydrophobicContact CG2-CG 3.91Å; V141-R158 HydrophobicContact CG1-CB 3.8Å; V141-R158 HydrophobicContact CG1-CG 4.44Å; V141-I161 HydrophobicContact CB-CD1 4.38Å; V141-I161 HydrophobicContact CG2-CD1 3.62Å
142D91.9Very high87.7Confident66 Ų6670.8 Ų70.835%0.35337%0.368SS..Hα-helixtrans-62.2-33.3174.6-70.8-19.5000111.1L138 L145 R146 R158L138-D142 WeakPolarHBondContact O-CB 2.99Å; L138-D142 VanDerWaalsContact O-CG 3.32Å; L138-D142 PolarHBondContact O-N 3.36Å; D142-L145 PolarHBondContact O-N 3.1Å; D142-R146 WeakPolarHBondContact O-CB 3.24Å; D142-R146 PolarHBondContact O-N 3.07Å; D142-R158 IonicContact OD1-NE 2.71Å; D142-R158 PolarHBondContact OD1-NE 3.11Å
143A88.8Confident87.7Confident26 Ų2669.8 Ų69.822%0.21537%0.365CS..Hα-helixtrans-64.4-37.4173.100000112.6L121 S139 Y140 V141L121-A143 HydrophobicContact CD1-CB 4.31Å; S139-A143 WeakPolarHBondContact O-CB 3.4Å; S139-A143 PolarHBondContact O-N 3.29Å; S139-A143 VanDerWaalsContact O-N 3.08Å; Y140-A143 WeakPolarHBondContact O-CB 3.23Å; Y140-A143 PolarHBondContact O-N 3.22Å; V141-A143 PolarHBondContact O-N 3.04Å
144I88.7Confident87.8Confident6 Ų666.6 Ų66.63%0.03135%0.349CS..Hα-helixtrans-66.7-49.8173.5-63.1167000110.1R118 L121 Y140 V141 R146 V147 E148 A154R118-I144 HydrophobicContact CG-CG1 4.47Å; R118-I144 HydrophobicContact CG-CG2 3.92Å; L121-I144 HydrophobicContact CB-CD1 3.81Å; L121-I144 HydrophobicContact CB-CG1 3.76Å; L121-I144 HydrophobicContact CD1-CG1 4.02Å; Y140-I144 PolarHBondContact O-N 3.35Å; V141-I144 WeakPolarHBondContact O-CB 3.33Å; V141-I144 PolarHBondContact O-N 3.41Å; I144-R146 PolarHBondContact O-N 3.19Å; I144-V147 PolarHBondContact O-N 3.17Å; I144-E148 PolarHBondContact O-N 3.47Å; I144-A154 HydrophobicContact CB-CB 4.26Å; I144-A154 HydrophobicContact CG2-CB 3.71Å
145L89Confident87.9Confident34 Ų3470.1 Ų70.118%0.17837%0.366CS..Hα-helixtrans-64.4-26.1-178.7-70.7171.2000113.1V141 D142 V147 E148 P149 A154 E155V141-L145 HydrophobicContact CG1-CD1 4.05Å; V141-L145 HydrophobicContact CG1-CG 4.47Å; V141-L145 PolarHBondContact O-N 3.18Å; D142-L145 PolarHBondContact O-N 3.1Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-E148 CarbonylContact O-C 3.28Å; L145-P149 WeakPolarHBondContact O-CA 3.47Å; L145-P149 VanDerWaalsContact O-N 3.09Å; L145-A154 HydrophobicContact CD2-CB 3.74Å; L145-A154 HydrophobicContact CG-CB 3.94Å; L145-E155 HydrophobicContact CD2-CB 4.45Å
146R87.3Confident87.8Confident207 Ų20768.6 Ų68.678%0.78136%0.355SS*.Hα-helixtrans-66.3-33.7173.1-171.8177.968.5-167.41.4112.5D142 I144D142-R146 WeakPolarHBondContact O-CB 3.24Å; D142-R146 PolarHBondContact O-N 3.07Å; I144-R146 PolarHBondContact O-N 3.19Å
147V86.3Confident87.6Confident111 Ų11164.2 Ų64.267%0.67334%0.336SS*.Hα-helixtrans-86-43.4177.7-177.50000110.3I144 L145I144-V147 PolarHBondContact O-N 3.17Å; L145-V147 VanDerWaalsContact C-N 3.31Å
148E87Confident87.7Confident59 Ų5967.3 Ų67.328%0.27635%0.348SS..  trans-125.779.6-177.6-62.6178.817900110.8R118 I144 L145 A150 N151R118-E148 VanDerWaalsContact CD-OE2 3.32Å; R118-E148 WeakPolarHBondContact CD-OE2 3.44Å; R118-E148 IonicContact NH1-OE1 3.06Å; R118-E148 PolarHBondContact NH1-OE1 3.25Å; R118-E148 IonicContact NH1-OE2 3.89Å; I144-E148 PolarHBondContact O-N 3.47Å; L145-E148 CarbonylContact O-C 3.28Å; E148-A150 PolarHBondContact O-N 2.96Å; E148-A150 VanDerWaalsContact O-N 3.14Å; E148-N151 HydrophobicContact CB-CB 3.87Å; E148-N151 VanDerWaalsContact O-CB 3.25Å; E148-N151 WeakPolarHBondContact O-CB 3.46Å; E148-N151 PolarHBondContact O-N 2.92Å; E148-N151 PolarHBondContact OE2-ND2 3.26Å
149P85.8Confident87.5Confident106 Ų10669.2 Ų69.269%0.68836%0.361SS*.THydrogen-bonded Turntrans-65.8-19-177.825-34.4000113.4L145 N151L145-P149 WeakPolarHBondContact O-CA 3.47Å; L145-P149 VanDerWaalsContact O-N 3.09Å; P149-N151 VanDerWaalsContact C-N 3.33Å
150A87.1Confident87.1Confident93 Ų9366.7 Ų66.777%0.76934%0.343SS*.THydrogen-bonded Turntrans-88.85.6176.600000113.5E148 K152E148-A150 PolarHBondContact O-N 2.96Å; E148-A150 VanDerWaalsContact O-N 3.14Å; A150-K152 PolarHBondContact O-N 3.44Å
151N86Confident86.9Confident21 Ų2164.4 Ų64.411%0.11233%0.334CS..  trans-76.497.2-178.4-169.6-32.7000111.3R118 E148 P149 Q153 A154 E155R118-N151 WeakPolarHBondContact CD-ND2 3.36Å; E148-N151 HydrophobicContact CB-CB 3.87Å; E148-N151 VanDerWaalsContact O-CB 3.25Å; E148-N151 WeakPolarHBondContact O-CB 3.46Å; E148-N151 PolarHBondContact O-N 2.92Å; E148-N151 PolarHBondContact OE2-ND2 3.26Å; P149-N151 VanDerWaalsContact C-N 3.33Å; N151-Q153 PolarHBondContact O-N 3.12Å; N151-Q153 WeakPolarHBondContact OD1-CB 3.39Å; N151-Q153 PolarHBondContact OD1-N 2.93Å; N151-A154 HydrophobicContact CB-CB 4.14Å; N151-A154 PolarHBondContact O-N 3.2Å; N151-A154 PolarHBondContact OD1-N 2.79Å; N151-A154 VanDerWaalsContact OD1-N 3.16Å; N151-E155 PolarHBondContact O-N 3.07Å
152K85.6Confident86.7Confident167 Ų16764.7 Ų64.773%0.72634%0.335SS*.Hα-helixtrans-58.7-31.8178.8-64.2-174.1178.1-176.10113.6A150 E156A150-K152 PolarHBondContact O-N 3.44Å; K152-E156 WeakPolarHBondContact O-CB 3.43Å; K152-E156 PolarHBondContact O-N 2.92Å
153Q83.3Confident86.3Confident89 Ų8965.6 Ų65.642%0.41634%0.34SS..Hα-helixtrans-71.3-41-179.2-57.6-176.7-71.500111.2N151 L157N151-Q153 PolarHBondContact O-N 3.12Å; N151-Q153 WeakPolarHBondContact OD1-CB 3.39Å; N151-Q153 PolarHBondContact OD1-N 2.93Å; Q153-L157 WeakPolarHBondContact O-CB 3.41Å; Q153-L157 PolarHBondContact O-N 3.44Å
154A86Confident85.9Confident2 Ų266.9 Ų66.92%0.01734%0.34CS..Hα-helixtrans-67.2-39.5175.200000111.2V141 I144 L145 N151 L157 R158V141-A154 HydrophobicContact CG1-CB 4.34Å; V141-A154 WeakPolarHBondContact CG1-O 2.95Å; I144-A154 HydrophobicContact CB-CB 4.26Å; I144-A154 HydrophobicContact CG2-CB 3.71Å; L145-A154 HydrophobicContact CD2-CB 3.74Å; L145-A154 HydrophobicContact CG-CB 3.94Å; N151-A154 HydrophobicContact CB-CB 4.14Å; N151-A154 PolarHBondContact O-N 3.2Å; N151-A154 PolarHBondContact OD1-N 2.79Å; N151-A154 VanDerWaalsContact OD1-N 3.16Å; A154-L157 PolarHBondContact O-N 3.48Å; A154-R158 WeakPolarHBondContact O-CB 3.17Å; A154-R158 PolarHBondContact O-N 3.05Å
155E87.8Confident85.5Confident116 Ų11669.1 Ų69.154%0.54235%0.351SS..Hα-helixtrans-62.8-47.7174.5-173.5-180-154.200111.9L145 N151 L157 R158 T159L145-E155 HydrophobicContact CD2-CB 4.45Å; N151-E155 PolarHBondContact O-N 3.07Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.22Å; E155-R158 WeakPolarHBondContact O-CA 3.35Å; E155-R158 VanDerWaalsContact O-CB 3.28Å; E155-R158 WeakPolarHBondContact O-CB 3.31Å; E155-R158 PolarHBondContact O-N 3.25Å; E155-R158 VanDerWaalsContact O-N 3.1Å; E155-T159 PolarHBondContact O-N 3.45Å; E155-T159 PolarHBondContact O-OG1 2.84Å
156E86.6Confident84.6Confident100 Ų10072.5 Ų72.547%0.46736%0.362SS..Hα-helixtrans-58.7-44.5175.7-175.4178.1-173.700111.1K152 R158 T159 V160K152-E156 WeakPolarHBondContact O-CB 3.43Å; K152-E156 PolarHBondContact O-N 2.92Å; E156-R158 VanDerWaalsContact C-N 3.32Å; E156-R158 PolarHBondContact O-N 3.49Å; E156-T159 WeakPolarHBondContact O-CB 3.4Å; E156-T159 PolarHBondContact O-N 3.2Å; E156-V160 WeakPolarHBondContact O-CG2 3.48Å; E156-V160 PolarHBondContact O-N 3.42Å
157L84.9Confident83.6Confident0 Ų072 Ų720%036%0.36CS..Hα-helixtrans-60-42.2174.9-177.163.1000111.7V4 I8 Y122 A125 I126 I129 V141 Q153 A154 E155 T159 V160 I161V4-L157 HydrophobicContact CG1-CB 4.48Å; V4-L157 HydrophobicContact CG1-CD1 3.54Å; V4-L157 HydrophobicContact CG2-CB 4.41Å; I8-L157 HydrophobicContact CD1-CD1 3.7Å; Y122-L157 HydrophobicContact CD2-CD2 3.59Å; Y122-L157 HydrophobicContact CE2-CB 4.22Å; Y122-L157 HydrophobicContact CE2-CD2 3.49Å; Y122-L157 VanDerWaalsContact CE2-CD2 3.49Å; Y122-L157 HydrophobicContact CE2-CG 4.35Å; Y122-L157 HydrophobicContact CG-CD2 4.37Å; A125-L157 HydrophobicContact CB-CD2 3.97Å; I126-L157 HydrophobicContact CG1-CD1 4.48Å; I129-L157 HydrophobicContact CD1-CD1 3.62Å; I129-L157 HydrophobicContact CD1-CG 4.39Å; V141-L157 HydrophobicContact CG2-CD2 3.55Å; V141-L157 HydrophobicContact CG2-CG 3.91Å; Q153-L157 WeakPolarHBondContact O-CB 3.41Å; Q153-L157 PolarHBondContact O-N 3.44Å; A154-L157 PolarHBondContact O-N 3.48Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.22Å; L157-T159 PolarHBondContact O-N 3.08Å; L157-V160 PolarHBondContact O-N 3.32Å; L157-I161 HydrophobicContact CG-CD1 4.11Å; L157-I161 VanDerWaalsContact O-CG1 3.23Å; L157-I161 WeakPolarHBondContact O-CG1 3.41Å; L157-I161 PolarHBondContact O-N 3.36Å
158R88.1Confident82.1Confident65 Ų6570.1 Ų70.125%0.24536%0.363CS..Hα-helixtrans-58.6-46.4175-169.7173.2177.7-81.6-2.9111.5L138 V141 D142 A154 E155 E156 V160 I161 C162 C176L138-R158 HydrophobicContact CD1-CG 3.68Å; V141-R158 HydrophobicContact CG1-CB 3.8Å; V141-R158 HydrophobicContact CG1-CG 4.44Å; D142-R158 IonicContact OD1-NE 2.71Å; D142-R158 PolarHBondContact OD1-NE 3.11Å; A154-R158 WeakPolarHBondContact O-CB 3.17Å; A154-R158 PolarHBondContact O-N 3.05Å; E155-R158 WeakPolarHBondContact O-CA 3.35Å; E155-R158 VanDerWaalsContact O-CB 3.28Å; E155-R158 WeakPolarHBondContact O-CB 3.31Å; E155-R158 PolarHBondContact O-N 3.25Å; E155-R158 VanDerWaalsContact O-N 3.1Å; E156-R158 VanDerWaalsContact C-N 3.32Å; E156-R158 PolarHBondContact O-N 3.49Å; R158-V160 VanDerWaalsContact C-N 3.33Å; R158-V160 PolarHBondContact O-N 2.99Å; R158-I161 PolarHBondContact O-N 2.89Å; R158-C162 PolarHBondContact O-N 3.32Å; R158-C176 PolarHBondContact NH1-O 3.08Å
159T86.1Confident80.4Confident73 Ų7374.9 Ų74.945%0.44838%0.383SS..Hα-helixtrans-60.4-43.1176.2-57.30000111.3E155 E156 L157 I161 C162 N163E155-T159 PolarHBondContact O-N 3.45Å; E155-T159 PolarHBondContact O-OG1 2.84Å; E156-T159 WeakPolarHBondContact O-CB 3.4Å; E156-T159 PolarHBondContact O-N 3.2Å; L157-T159 PolarHBondContact O-N 3.08Å; T159-I161 PolarHBondContact O-N 3.25Å; T159-C162 PolarHBondContact O-N 3.01Å; T159-N163 VanDerWaalsContact O-CB 3.31Å; T159-N163 WeakPolarHBondContact O-CB 3.06Å; T159-N163 VanDerWaalsContact O-CG 3.23Å; T159-N163 PolarHBondContact O-N 2.88Å; T159-N163 PolarHBondContact O-ND2 3.23Å
160V84.7Confident78.6Confident12 Ų1277.7 Ų77.77%0.07339%0.39CS..Hα-helixtrans-63.7-40.4177.1174.70000111.8V4 I8 E156 L157 R158 R164V4-V160 HydrophobicContact CG1-CB 4.17Å; V4-V160 HydrophobicContact CG1-CG1 4.27Å; V4-V160 HydrophobicContact CG1-CG2 3.95Å; I8-V160 HydrophobicContact CD1-CB 4.47Å; I8-V160 HydrophobicContact CD1-CG1 3.61Å; E156-V160 WeakPolarHBondContact O-CG2 3.48Å; E156-V160 PolarHBondContact O-N 3.42Å; L157-V160 PolarHBondContact O-N 3.32Å; R158-V160 VanDerWaalsContact C-N 3.33Å; R158-V160 PolarHBondContact O-N 2.99Å; V160-R164 PolarHBondContact O-N 2.87Å
161I85.7Confident76.5Confident0 Ų080.3 Ų80.30%039%0.391CS..Hα-helixtrans-61.7-54.9174.7-66.3163.3000110.3I129 Y134 A137 L138 V141 L157 R158 T159 N163 R164 M165I129-I161 HydrophobicContact CD1-CD1 3.81Å; I129-I161 HydrophobicContact CD1-CG1 3.35Å; I129-I161 HydrophobicContact CG1-CD1 4.23Å; I129-I161 HydrophobicContact CG1-CG1 3.69Å; Y134-I161 HydrophobicContact CD1-CG2 4.27Å; A137-I161 HydrophobicContact CB-CD1 4.01Å; A137-I161 HydrophobicContact CB-CG1 4.43Å; L138-I161 HydrophobicContact CB-CG2 4.48Å; V141-I161 HydrophobicContact CB-CD1 4.38Å; V141-I161 HydrophobicContact CG2-CD1 3.62Å; L157-I161 HydrophobicContact CG-CD1 4.11Å; L157-I161 VanDerWaalsContact O-CG1 3.23Å; L157-I161 WeakPolarHBondContact O-CG1 3.41Å; L157-I161 PolarHBondContact O-N 3.36Å; R158-I161 PolarHBondContact O-N 2.89Å; T159-I161 PolarHBondContact O-N 3.25Å; I161-N163 VanDerWaalsContact C-N 3.3Å; I161-N163 PolarHBondContact O-N 2.92Å; I161-R164 PolarHBondContact O-N 2.98Å; I161-M165 HydrophobicContact CG2-CG 4.35Å; I161-M165 HydrophobicContact CG2-SD 4.01Å; I161-M165 WeakPolarHBondContact O-CG 3.38Å; I161-M165 PolarHBondContact O-N 3.09Å
162C84.9Confident74.3Confident5 Ų583.7 Ų83.73%0.03442%0.416CS..Hα-helixtrans-55.8-48.2179.3-73.20000109.8R158 T159 R164 M165 Y166 C176R158-C162 PolarHBondContact O-N 3.32Å; T159-C162 PolarHBondContact O-N 3.01Å; C162-R164 VanDerWaalsContact C-N 3.3Å; C162-R164 PolarHBondContact O-N 2.89Å; C162-M165 WeakPolarHBondContact O-CB 3.39Å; C162-M165 PolarHBondContact O-N 2.92Å; C162-M165 VanDerWaalsContact O-N 3.09Å; C162-Y166 HydrophobicContact CB-CD2 4.3Å; C162-Y166 HydrophobicContact CB-CE2 4.04Å; C162-Y166 WeakPolarHBondContact O-CD2 3.42Å; C162-Y166 PolarHBondContact O-N 2.08Å; C162-C176 HydrophobicContact CB-CB 3.76Å; C162-C176 WeakPolarHBondContact CB-SG 3.44Å; C162-C176 WeakPolarHBondContact SG-CB 3.07Å; C162-C176 CovalentContact SG-SG 2.08Å; C162-C176 PolarHBondContact SG-SG 2.76Å
163N82.8Confident72.4Confident86 Ų8684.2 Ų84.246%0.4643%0.425SS..Hα-helixtrans-57.1-40.4177.1-76-29000113T159 I161 Y166 R167T159-N163 VanDerWaalsContact O-CB 3.31Å; T159-N163 WeakPolarHBondContact O-CB 3.06Å; T159-N163 VanDerWaalsContact O-CG 3.23Å; T159-N163 PolarHBondContact O-N 2.88Å; T159-N163 PolarHBondContact O-ND2 3.23Å; I161-N163 VanDerWaalsContact C-N 3.3Å; I161-N163 PolarHBondContact O-N 2.92Å; N163-Y166 PolarHBondContact O-N 3.45Å; N163-R167 VanDerWaalsContact O-CG 3.31Å; N163-R167 WeakPolarHBondContact O-CG 2.93Å; N163-R167 PolarHBondContact O-N 3.35Å
164R80.7Confident70.5Confident52 Ų5284.4 Ų84.420%0.19643%0.432CS..Hα-helixtrans-72.7-31.5176.8-78.4-164.8163.982.5-3.9113.3D5 I8 Y134 V160 I161 C162D5-R164 IonicContact OD1-NH1 3.58Å; I8-R164 VanDerWaalsContact CG2-NH1 3.32Å; Y134-R164 HydrophobicContact CE1-CB 3.83Å; V160-R164 PolarHBondContact O-N 2.87Å; I161-R164 PolarHBondContact O-N 2.98Å; C162-R164 VanDerWaalsContact C-N 3.3Å; C162-R164 PolarHBondContact O-N 2.89Å
165M79.7Confident68.8Low53 Ų5394 Ų9426%0.26147%0.474SS..Hα-helixtrans-61.8-45.9170.1-68.917578.500111.2Y134 I161 C162Y134-M165 VanDerWaalsContact CB-SD 3.58Å; Y134-M165 HydrophobicContact CD1-CG 4.07Å; Y134-M165 HydrophobicContact CD2-CB 4.36Å; Y134-M165 HydrophobicContact CD2-CG 3.54Å; Y134-M165 HydrophobicContact CE2-CG 4.33Å; Y134-M165 HydrophobicContact CG-CG 3.36Å; Y134-M165 HydrophobicContact CG-SD 4.35Å; I161-M165 HydrophobicContact CG2-CG 4.35Å; I161-M165 HydrophobicContact CG2-SD 4.01Å; I161-M165 WeakPolarHBondContact O-CG 3.38Å; I161-M165 PolarHBondContact O-N 3.09Å; C162-M165 WeakPolarHBondContact O-CB 3.39Å; C162-M165 PolarHBondContact O-N 2.92Å; C162-M165 VanDerWaalsContact O-N 3.09Å
166Y70.7Confident66.7Low106 Ų10692.6 Ų92.642%0.41648%0.476SS..Hα-helixtrans-81.1-24-176.2-64.4-69.3000113.9C162 N163 G168 K169C162-Y166 HydrophobicContact CB-CD2 4.3Å; C162-Y166 HydrophobicContact CB-CE2 4.04Å; C162-Y166 WeakPolarHBondContact O-CD2 3.42Å; C162-Y166 PolarHBondContact O-N 2.08Å; N163-Y166 PolarHBondContact O-N 3.45Å; Y166-G168 PolarHBondContact O-N 3.26Å; Y166-G168 VanDerWaalsContact O-N 3.08Å; Y166-K169 CarbonylContact O-C 3.51Å; Y166-K169 WeakPolarHBondContact O-CA 3.31Å; Y166-K169 PolarHBondContact O-N 2.88Å
167R66.7Low65.7Low196 Ų19692.3 Ų92.374%0.7448%0.477SS*.Hα-helixtrans-57.7-26174.2-83.7177.5-179-173.73.4113.5N163N163-R167 VanDerWaalsContact O-CG 3.31Å; N163-R167 WeakPolarHBondContact O-CG 2.93Å; N163-R167 PolarHBondContact O-N 3.35Å
168G54.1Low64.7Low72 Ų7297.1 Ų97.174%0.74250%0.502SS*.THydrogen-bonded Turntrans-83-16.9172.500000114.5Y166Y166-G168 PolarHBondContact O-N 3.26Å; Y166-G168 VanDerWaalsContact O-N 3.08Å
169K50.8Low63.4Low159 Ų15998.9 Ų98.969%0.69152%0.516SS*.SBendtrans-122.784.5178.8-63.3-177.3-176.4176.90107.1Y166 L171Y166-K169 CarbonylContact O-C 3.51Å; Y166-K169 WeakPolarHBondContact O-CA 3.31Å; Y166-K169 PolarHBondContact O-N 2.88Å; K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 3.06Å
170I49.1Very low62.1Low164 Ų164100.4 Ų100.484%0.84152%0.52SS*.  trans-46.1103.5164.3-65.7164000105.8
171L41.9Very low60.7Low148 Ų148105.9 Ų105.978%0.77555%0.548SS*.  trans172.7116.6164-93152.9000111K169K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 3.06Å
172S40Very low59Low92 Ų92113 Ų11364%0.64358%0.584SS**  trans49.9104.2148.7-1510000118.7T174S172-T174 PolarHBondContact O-N 3.23Å; S172-T174 PolarHBondContact O-OG1 2.86Å
173I46.3Very low57.2Low178 Ų178120.7 Ų120.791%0.91362%0.624SS**  trans-40.899.4160.5-54.8154.1000109.1
174T42.8Very low55.2Low94 Ų94123.4 Ų123.458%0.57764%0.636SS**  trans-130.1104.8170.8-51.60000105.9S172 C176S172-T174 PolarHBondContact O-N 3.23Å; S172-T174 PolarHBondContact O-OG1 2.86Å; T174-C176 PolarHBondContact O-N 2.84Å
175F50Low53.1Low204 Ų204129.3 Ų129.390%0.89567%0.673SS**  trans6.777.3163.8-64.8-91.1000115.4
176C44.6Very low50.6Low86 Ų86136.3 Ų136.358%0.58171%0.71SS**  -74.80127.6-85.70000106.4R158 C162 T174R158-C176 PolarHBondContact NH1-O 3.08Å; C162-C176 HydrophobicContact CB-CB 3.76Å; C162-C176 WeakPolarHBondContact CB-SG 3.44Å; C162-C176 WeakPolarHBondContact SG-CB 3.07Å; C162-C176 CovalentContact SG-SG 2.08Å; C162-C176 PolarHBondContact SG-SG 2.76Å; T174-C176 PolarHBondContact O-N 2.84Å

Retrieved 176 of 176 residues in 298.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).