A0A077Z8E7_TRITR Loading...

Symplekin C and DUF3453 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8E7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,110 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.3Very low34.3Very low220 Ų220152.8 Ų152.8100%1.08483%0.828SS**  010.70-75.4-175.9-173.900113.9
2N37Very low35.2Very low165 Ų165147.4 Ų147.488%0.88281%0.807SS**  trans-100.415.1-174.7-77.91.5000115.4
3A35.1Very low36.8Very low96 Ų96141 Ų14179%0.79379%0.785SS**SBendtrans-106.9-11.9-176.600000114.7
4T36.5Very low38.3Very low126 Ų126136.2 Ų136.277%0.77376%0.758SS**SBendtrans-96.30.9-175.938.80000115
5Y34.7Very low39.9Very low212 Ų212134.3 Ų134.383%0.83174%0.74SS**SBendtrans-96.94.9179.9-94.6-79.6000115.6
6Q36.2Very low41.6Very low188 Ų188133.1 Ų133.188%0.87973%0.728SS**SBendtrans-100.116.4-178.9-83.3-169.6-18.800115.9
7Q35.2Very low43.2Very low191 Ų191131.2 Ų131.289%0.89371%0.711SS**SBendtrans-116.315.3177.1-78.6-167.2-15.100116.2
8Q30.7Very low44.5Very low167 Ų167124.7 Ų124.778%0.7868%0.676SS**SBendtrans-124.8107.8166.2-71.2-175.9-12.700109V10Q8-V10 PolarHBondContact O-N 3.3Å
9G35.1Very low46.1Very low88 Ų88123.1 Ų123.191%0.90767%0.667SS**  trans-69.566.8-175.300000113.4L11G9-L11 PolarHBondContact O-N 3.44Å
10V31.1Very low47.7Very low115 Ų115122.5 Ų122.570%0.69766%0.659SS**  trans-82.4106.9167.8-175.80000107.1Q8Q8-V10 PolarHBondContact O-N 3.3Å
11L34.7Very low49.1Very low113 Ų113117.1 Ų117.159%0.59263%0.631SS**  trans-59.1140.1172.1-77.5161.2000109.4G9 A13G9-L11 PolarHBondContact O-N 3.44Å; L11-A13 PolarHBondContact O-N 3.38Å
12P44.4Very low51.2Low88 Ų88107.6 Ų107.657%0.57159%0.585SS**  trans-55139.5-176.7-22.131.1000111.9D14 Q15P12-D14 PolarHBondContact O-N 3.35Å; P12-Q15 WeakPolarHBondContact O-CB 3.41Å; P12-Q15 PolarHBondContact O-N 3.25Å
13A56.1Low53.2Low64 Ų64107.5 Ų107.553%0.52957%0.573SS.*Hα-helixtrans-50.8-29.7-173.500000114.6L11 Q15 Q16 K17L11-A13 PolarHBondContact O-N 3.38Å; A13-Q15 PolarHBondContact O-N 3.44Å; A13-Q16 PolarHBondContact O-N 3.02Å; A13-K17 PolarHBondContact O-N 3.25Å
14D57.7Low55.4Low74 Ų74104.9 Ų104.940%0.39654%0.544SS..Hα-helixtrans-64.4-38.6177.5-67.5-10.8000112.2P12 K17 V18 V55P12-D14 PolarHBondContact O-N 3.35Å; D14-K17 PolarHBondContact O-N 3.48Å; D14-V18 WeakPolarHBondContact O-CG2 3.5Å; D14-V18 PolarHBondContact O-N 2.8Å; D14-V55 HydrophobicContact CB-CG2 4.12Å
15Q62Low57.5Low107 Ų10799.7 Ų99.750%0.551%0.511SS..Hα-helixtrans-67.7-38.9179.9-149.480.210.100111.2P12 A13 K17 V18 D19P12-Q15 WeakPolarHBondContact O-CB 3.41Å; P12-Q15 PolarHBondContact O-N 3.25Å; A13-Q15 PolarHBondContact O-N 3.44Å; Q15-K17 VanDerWaalsContact C-N 3.34Å; Q15-K17 PolarHBondContact O-N 3.42Å; Q15-V18 PolarHBondContact O-N 2.94Å; Q15-D19 PolarHBondContact O-N 3.42Å
16Q67.5Low59.8Low116 Ų11696.2 Ų96.254%0.54250%0.502SS..Hα-helixtrans-62.7-41176.5-69-175.4-18.800111.8A13 D19 Q20A13-Q16 PolarHBondContact O-N 3.02Å; Q16-D19 PolarHBondContact O-N 2.88Å; Q16-Q20 WeakPolarHBondContact O-CB 3.18Å; Q16-Q20 PolarHBondContact O-N 3.47Å
17K68.3Low62Low101 Ų10189.2 Ų89.244%0.43947%0.47SS..Hα-helixtrans-64.2-42.5174.6-72.6-178.1-176.6172.20111.6A13 D14 Q15 D19 Q20 L21 D52A13-K17 PolarHBondContact O-N 3.25Å; D14-K17 PolarHBondContact O-N 3.48Å; Q15-K17 VanDerWaalsContact C-N 3.34Å; Q15-K17 PolarHBondContact O-N 3.42Å; K17-D19 VanDerWaalsContact C-N 3.33Å; K17-D19 PolarHBondContact O-N 2.98Å; K17-Q20 PolarHBondContact O-N 3.37Å; K17-L21 WeakPolarHBondContact O-CD1 3.29Å; K17-L21 VanDerWaalsContact O-CG 3.27Å; K17-L21 WeakPolarHBondContact O-CG 3.37Å; K17-L21 PolarHBondContact O-N 3.28Å; K17-D52 IonicContact NZ-OD2 3.53Å; K17-D52 PolarHBondContact NZ-OD2 3.36Å
18V67.8Low64.2Low14 Ų1480.2 Ų80.29%0.08543%0.428CS..Hα-helixtrans-58.1-47.4174.6176.80000110.3D14 Q15 Q20 L21 C22 V55D14-V18 WeakPolarHBondContact O-CG2 3.5Å; D14-V18 PolarHBondContact O-N 2.8Å; Q15-V18 PolarHBondContact O-N 2.94Å; V18-Q20 VanDerWaalsContact C-N 3.35Å; V18-Q20 PolarHBondContact O-N 2.88Å; V18-L21 PolarHBondContact O-N 3.29Å; V18-C22 WeakPolarHBondContact O-CB 3.5Å; V18-C22 PolarHBondContact O-N 2.94Å; V18-C22 PolarHBondContact O-SG 2.77Å; V18-V55 HydrophobicContact CG2-CB 4.31Å; V18-V55 HydrophobicContact CG2-CG1 3.47Å; V18-V55 VanDerWaalsContact CG2-CG1 3.47Å; V18-V55 HydrophobicContact CG2-CG2 4.39Å
19D73.7Confident66.7Low94 Ų9475.3 Ų75.350%0.50341%0.407SS..Hα-helixtrans-65.4-38.4-178.8-75-18.5000112Q15 Q16 K17 C22 R23Q15-D19 PolarHBondContact O-N 3.42Å; Q16-D19 PolarHBondContact O-N 2.88Å; K17-D19 VanDerWaalsContact C-N 3.33Å; K17-D19 PolarHBondContact O-N 2.98Å; D19-C22 PolarHBondContact O-N 3.22Å; D19-R23 WeakPolarHBondContact O-CB 3.39Å; D19-R23 PolarHBondContact O-N 3.23Å
20Q78.3Confident68.8Low110 Ų11075.3 Ų75.351%0.51439%0.393SS..Hα-helixtrans-63.3-44.2174.8-169.8179.318.400111.9Q16 K17 V18 C22 R23 F24Q16-Q20 WeakPolarHBondContact O-CB 3.18Å; Q16-Q20 PolarHBondContact O-N 3.47Å; K17-Q20 PolarHBondContact O-N 3.37Å; V18-Q20 VanDerWaalsContact C-N 3.35Å; V18-Q20 PolarHBondContact O-N 2.88Å; Q20-C22 VanDerWaalsContact C-N 3.33Å; Q20-R23 WeakPolarHBondContact O-CB 2.75Å; Q20-R23 PolarHBondContact O-N 3.27Å; Q20-F24 HydrophobicContact CG-CD2 4.37Å; Q20-F24 HydrophobicContact CG-CE2 3.78Å; Q20-F24 HydrophobicContact CG-CZ 4.15Å; Q20-F24 WeakPolarHBondContact O-CD2 3.19Å; Q20-F24 PolarHBondContact O-N 3.06Å
21L76.9Confident71.1Confident10 Ų1070.7 Ų70.75%0.05237%0.365CS..Hα-helixtrans-65.2-38.9175.5-69.7166000111.9K17 V18 R23 F24 L25 L44 A47 M51 V55 F59K17-L21 WeakPolarHBondContact O-CD1 3.29Å; K17-L21 VanDerWaalsContact O-CG 3.27Å; K17-L21 WeakPolarHBondContact O-CG 3.37Å; K17-L21 PolarHBondContact O-N 3.28Å; V18-L21 PolarHBondContact O-N 3.29Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 3.32Å; L21-F24 PolarHBondContact O-N 3.4Å; L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 PolarHBondContact O-N 3.06Å; L21-L44 HydrophobicContact CB-CD2 4.49Å; L21-L44 HydrophobicContact CD2-CD2 3.92Å; L21-A47 HydrophobicContact CD2-CB 3.63Å; L21-M51 HydrophobicContact CD1-CE 3.28Å; L21-M51 HydrophobicContact CD1-CG 4Å; L21-M51 HydrophobicContact CD1-SD 3.43Å; L21-M51 WeakPolarHBondContact CD1-SD 3.5Å; L21-M51 HydrophobicContact CD2-SD 4.37Å; L21-V55 HydrophobicContact CD1-CG1 4.31Å; L21-F59 HydrophobicContact CB-CD2 4.38Å; L21-F59 HydrophobicContact CB-CE2 3.94Å; L21-F59 HydrophobicContact CB-CZ 4.16Å
22C76.7Confident72.9Confident20 Ų2072.8 Ų72.814%0.13538%0.377CS..Hα-helixtrans-63.1-39.6174.3-69.30000111.1V18 D19 Q20 L25 Q26 R62V18-C22 WeakPolarHBondContact O-CB 3.5Å; V18-C22 PolarHBondContact O-N 2.94Å; V18-C22 PolarHBondContact O-SG 2.77Å; D19-C22 PolarHBondContact O-N 3.22Å; Q20-C22 VanDerWaalsContact C-N 3.33Å; C22-L25 PolarHBondContact O-N 3.35Å; C22-Q26 VanDerWaalsContact O-CB 3.23Å; C22-Q26 WeakPolarHBondContact O-CB 3.43Å; C22-Q26 PolarHBondContact O-N 3.42Å; C22-R62 PolarHBondContact SG-NH1 3.36Å
23R79.2Confident74.5Confident164 Ų16472.9 Ų72.962%0.61937%0.373SS*.Hα-helixtrans-61.6-49175.5-172.4-179.5176.7135.81.6111.4D19 Q20 L21 L25 Q26 E27D19-R23 WeakPolarHBondContact O-CB 3.39Å; D19-R23 PolarHBondContact O-N 3.23Å; Q20-R23 WeakPolarHBondContact O-CB 2.75Å; Q20-R23 PolarHBondContact O-N 3.27Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 3.32Å; R23-L25 VanDerWaalsContact C-N 3.29Å; R23-L25 PolarHBondContact O-N 3.49Å; R23-Q26 PolarHBondContact O-N 2.82Å; R23-E27 HydrophobicContact CG-CG 4.36Å; R23-E27 WeakPolarHBondContact CG-OE1 3.23Å; R23-E27 IonicContact CZ-OE1 3.96Å; R23-E27 IonicContact NE-OE1 3.12Å; R23-E27 PolarHBondContact NE-OE1 3.47Å; R23-E27 IonicContact NH2-OE1 3.08Å; R23-E27 WeakPolarHBondContact O-CB 3.48Å; R23-E27 VanDerWaalsContact O-CG 3.32Å; R23-E27 WeakPolarHBondContact O-CG 3.44Å; R23-E27 PolarHBondContact O-N 3.39Å
24F80.9Confident75.4Confident41 Ų4176 Ų7618%0.1838%0.377CS..Hα-helixtrans-59.5-40.6176.2-66.7-42.5000112.5Q20 L21 A28 L44Q20-F24 HydrophobicContact CG-CD2 4.37Å; Q20-F24 HydrophobicContact CG-CE2 3.78Å; Q20-F24 HydrophobicContact CG-CZ 4.15Å; Q20-F24 WeakPolarHBondContact O-CD2 3.19Å; Q20-F24 PolarHBondContact O-N 3.06Å; L21-F24 PolarHBondContact O-N 3.4Å; F24-A28 WeakPolarHBondContact O-CB 3.47Å; F24-A28 PolarHBondContact O-N 3.39Å; F24-L44 HydrophobicContact CB-CD1 3.94Å; F24-L44 HydrophobicContact CB-CD2 4.45Å; F24-L44 HydrophobicContact CB-CG 3.79Å
25L80.2Confident76.2Confident16 Ų1676.1 Ų76.18%0.08438%0.383CS..Hα-helixtrans-64.8-43.9177.2-167.587.7000111L21 C22 R23 A28 L29 L44 F59 V63 L66 F77L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 PolarHBondContact O-N 3.06Å; C22-L25 PolarHBondContact O-N 3.35Å; R23-L25 VanDerWaalsContact C-N 3.29Å; R23-L25 PolarHBondContact O-N 3.49Å; L25-A28 PolarHBondContact O-N 2.97Å; L25-L29 HydrophobicContact CD2-CD1 4.24Å; L25-L29 HydrophobicContact CG-CD1 4.08Å; L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CD1 3.45Å; L25-L29 WeakPolarHBondContact O-CG 3.43Å; L25-L29 PolarHBondContact O-N 2.96Å; L25-L44 HydrophobicContact CB-CD1 4.07Å; L25-L44 HydrophobicContact CD1-CD1 4.02Å; L25-F59 HydrophobicContact CB-CZ 4.25Å; L25-F59 HydrophobicContact CD1-CZ 4.08Å; L25-F59 HydrophobicContact CD2-CE2 4.43Å; L25-F59 HydrophobicContact CD2-CZ 4.34Å; L25-F59 HydrophobicContact CG-CZ 4.47Å; L25-V63 HydrophobicContact CD1-CG2 4.32Å; L25-L66 HydrophobicContact CD1-CD1 3.87Å; L25-L66 HydrophobicContact CD2-CD1 4.07Å; L25-L66 HydrophobicContact CG-CD1 4.16Å; L25-F77 HydrophobicContact CD1-CE1 4.2Å
26Q82.7Confident77.1Confident139 Ų13975.7 Ų75.765%0.6538%0.377SS*.Hα-helixtrans-70.3-37.8-177.8-159.1170.312.300111.7C22 R23 L29 S30C22-Q26 VanDerWaalsContact O-CB 3.23Å; C22-Q26 WeakPolarHBondContact O-CB 3.43Å; C22-Q26 PolarHBondContact O-N 3.42Å; R23-Q26 PolarHBondContact O-N 2.82Å; Q26-L29 PolarHBondContact O-N 3.44Å; Q26-S30 WeakPolarHBondContact O-CB 3.08Å; Q26-S30 PolarHBondContact O-N 2.89Å; Q26-S30 PolarHBondContact O-OG 3.26Å
27E83.5Confident77.6Confident42 Ų4271.5 Ų71.520%0.19636%0.357CS..Hα-helixtrans-64.5-40.6171.4-73.7-178.1-163.900111.7R23 L29 S30 S31 Y36R23-E27 HydrophobicContact CG-CG 4.36Å; R23-E27 WeakPolarHBondContact CG-OE1 3.23Å; R23-E27 IonicContact CZ-OE1 3.96Å; R23-E27 IonicContact NE-OE1 3.12Å; R23-E27 PolarHBondContact NE-OE1 3.47Å; R23-E27 IonicContact NH2-OE1 3.08Å; R23-E27 WeakPolarHBondContact O-CB 3.48Å; R23-E27 VanDerWaalsContact O-CG 3.32Å; R23-E27 WeakPolarHBondContact O-CG 3.44Å; R23-E27 PolarHBondContact O-N 3.39Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.02Å; E27-S30 PolarHBondContact O-OG 2.91Å; E27-S31 WeakPolarHBondContact O-CB 3.01Å; E27-S31 PolarHBondContact O-N 3.3Å; E27-Y36 HydrophobicContact CB-CE1 4.36Å; E27-Y36 PolarHBondContact OE2-OH 3.49Å
28A80.1Confident78Confident1 Ų169.9 Ų69.91%0.00836%0.355CS..Hα-helixtrans-64.6-37.7173.500000112.1F24 L25 R37 Q40 L41F24-A28 WeakPolarHBondContact O-CB 3.47Å; F24-A28 PolarHBondContact O-N 3.39Å; L25-A28 PolarHBondContact O-N 2.97Å; A28-R37 HydrophobicContact CB-CG 4.27Å; A28-R37 WeakPolarHBondContact O-CD 3.29Å; A28-R37 VanDerWaalsContact O-CG 3.29Å; A28-R37 WeakPolarHBondContact O-CG 3.39Å; A28-R37 PolarHBondContact O-NE 3.03Å; A28-Q40 HydrophobicContact CB-CB 3.99Å; A28-L41 HydrophobicContact CB-CD2 4.02Å; A28-L41 HydrophobicContact CB-CG 4.2Å
29L82.8Confident78.6Confident65 Ų6571.8 Ų71.834%0.3437%0.369SS..Hα-helixtrans-72.5-35.3179.4-73.1164.9000113.2L25 Q26 E27 L66 N69 I74L25-L29 HydrophobicContact CD2-CD1 4.24Å; L25-L29 HydrophobicContact CG-CD1 4.08Å; L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CD1 3.45Å; L25-L29 WeakPolarHBondContact O-CG 3.43Å; L25-L29 PolarHBondContact O-N 2.96Å; Q26-L29 PolarHBondContact O-N 3.44Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.02Å; L29-L66 HydrophobicContact CD1-CD1 4.25Å; L29-L66 HydrophobicContact CD1-CD2 3.96Å; L29-L66 HydrophobicContact CD2-CD1 4.23Å; L29-L66 HydrophobicContact CD2-CD2 3.85Å; L29-N69 WeakPolarHBondContact CD2-ND2 3.3Å; L29-I74 HydrophobicContact CD2-CD1 3.69Å; L29-I74 HydrophobicContact CD2-CG2 4.49Å
30S81.1Confident79Confident88 Ų8867.8 Ų67.862%0.61535%0.348SS*.Hα-helixtrans-88.7-21.2-17865.10000113.8Q26 E27 N32Q26-S30 WeakPolarHBondContact O-CB 3.08Å; Q26-S30 PolarHBondContact O-N 2.89Å; Q26-S30 PolarHBondContact O-OG 3.26Å; E27-S30 PolarHBondContact O-OG 2.91Å; S30-N32 PolarHBondContact O-N 3.41Å
31S78.7Confident79.2Confident17 Ų1763.2 Ų63.212%0.11933%0.327CS..  trans-62.3127.8178.91780000111.6E27 D33 R37E27-S31 WeakPolarHBondContact O-CB 3.01Å; E27-S31 PolarHBondContact O-N 3.3Å; S31-D33 PolarHBondContact OG-N 2.74Å; S31-D33 VanDerWaalsContact OG-N 3.13Å; S31-D33 PolarHBondContact OG-O 3.09Å; S31-R37 PolarHBondContact O-NE 3.2Å; S31-R37 PolarHBondContact O-NH2 3.4Å
32N73.3Confident79.3Confident158 Ų15867.7 Ų67.785%0.84535%0.347SS*.  trans-80.8-23.5166.4-75.3-25.1000112.3S30 E34S30-N32 PolarHBondContact O-N 3.41Å; N32-E34 PolarHBondContact O-N 3.27Å
33D77.8Confident79.5Confident89 Ų8970.8 Ų70.848%0.47636%0.359SS..  trans-79118.7179.3-173.1-15.2000110.5S31 S35 R37S31-D33 PolarHBondContact OG-N 2.74Å; S31-D33 VanDerWaalsContact OG-N 3.13Å; S31-D33 PolarHBondContact OG-O 3.09Å; D33-S35 VanDerWaalsContact C-N 3.31Å; D33-S35 VanDerWaalsContact CG-OG 3.28Å; D33-S35 PolarHBondContact O-N 2.69Å; D33-S35 WeakPolarHBondContact OD1-CB 3.33Å; D33-S35 PolarHBondContact OD1-N 3.38Å; D33-S35 PolarHBondContact OD1-OG 3.23Å; D33-S35 PolarHBondContact OD2-OG 3.2Å; D33-R37 VanDerWaalsContact O-CB 3.29Å; D33-R37 WeakPolarHBondContact O-CB 3.47Å; D33-R37 PolarHBondContact O-N 3.16Å
34E74.5Confident79.6Confident131 Ų13163 Ų6361%0.61233%0.33SS*.Hα-helixtrans-65.5-32.9178.8-62-158.9136.600112.6N32 T38N32-E34 PolarHBondContact O-N 3.27Å; E34-T38 WeakPolarHBondContact O-CB 3.49Å; E34-T38 WeakPolarHBondContact O-CG2 3.12Å; E34-T38 PolarHBondContact O-N 3.3Å; E34-T38 PolarHBondContact O-OG1 3.02Å
35S74.9Confident79.5Confident75 Ų7564.3 Ų64.352%0.52434%0.336SS..Hα-helixtrans-71.2-44.7-179.671.60000111.1D33 T38 S39D33-S35 VanDerWaalsContact C-N 3.31Å; D33-S35 VanDerWaalsContact CG-OG 3.28Å; D33-S35 PolarHBondContact O-N 2.69Å; D33-S35 WeakPolarHBondContact OD1-CB 3.33Å; D33-S35 PolarHBondContact OD1-N 3.38Å; D33-S35 PolarHBondContact OD1-OG 3.23Å; D33-S35 PolarHBondContact OD2-OG 3.2Å; S35-T38 WeakPolarHBondContact CA-OG1 3.44Å; S35-T38 PolarHBondContact O-N 3.39Å; S35-T38 PolarHBondContact O-OG1 3.41Å; S35-S39 PolarHBondContact O-N 3.29Å
36Y79.4Confident79.4Confident98 Ų9867.7 Ų67.738%0.38436%0.357SS..Hα-helixtrans-63.3-43.9173.6-171.9-105.1000111E27 T38 S39 Q40E27-Y36 HydrophobicContact CB-CE1 4.36Å; E27-Y36 PolarHBondContact OE2-OH 3.49Å; Y36-T38 PolarHBondContact O-N 3.1Å; Y36-S39 PolarHBondContact O-N 3.02Å; Y36-Q40 HydrophobicContact CD1-CG 4.08Å; Y36-Q40 HydrophobicContact CE1-CG 3.71Å; Y36-Q40 HydrophobicContact CE2-CG 4.38Å; Y36-Q40 VanDerWaalsContact CZ-NE2 3.27Å; Y36-Q40 WeakPolarHBondContact O-CG 3.43Å; Y36-Q40 PolarHBondContact O-N 3.07Å; Y36-Q40 PolarHBondContact OH-NE2 2.98Å
37R79.7Confident79.1Confident29 Ų2962.2 Ų62.211%0.10934%0.336CS..Hα-helixtrans-57.7-47.4177-173.9-180-45.3121.2-1.1112A28 S31 D33 Q40 L41A28-R37 HydrophobicContact CB-CG 4.27Å; A28-R37 WeakPolarHBondContact O-CD 3.29Å; A28-R37 VanDerWaalsContact O-CG 3.29Å; A28-R37 WeakPolarHBondContact O-CG 3.39Å; A28-R37 PolarHBondContact O-NE 3.03Å; S31-R37 PolarHBondContact O-NE 3.2Å; S31-R37 PolarHBondContact O-NH2 3.4Å; D33-R37 VanDerWaalsContact O-CB 3.29Å; D33-R37 WeakPolarHBondContact O-CB 3.47Å; D33-R37 PolarHBondContact O-N 3.16Å; R37-Q40 PolarHBondContact O-N 3.16Å; R37-L41 HydrophobicContact CG-CD1 4.19Å; R37-L41 VanDerWaalsContact O-CG 3.27Å; R37-L41 WeakPolarHBondContact O-CG 3.25Å; R37-L41 PolarHBondContact O-N 3.24Å
38T76.7Confident78.8Confident66 Ų6660.3 Ų60.341%0.40533%0.327SS..Hα-helixtrans-66.5-38.4179.747.60000112.4E34 S35 Y36 L41 E42 P73E34-T38 WeakPolarHBondContact O-CB 3.49Å; E34-T38 WeakPolarHBondContact O-CG2 3.12Å; E34-T38 PolarHBondContact O-N 3.3Å; E34-T38 PolarHBondContact O-OG1 3.02Å; S35-T38 WeakPolarHBondContact CA-OG1 3.44Å; S35-T38 PolarHBondContact O-N 3.39Å; S35-T38 PolarHBondContact O-OG1 3.41Å; Y36-T38 PolarHBondContact O-N 3.1Å; T38-L41 PolarHBondContact O-N 3.38Å; T38-E42 PolarHBondContact O-N 3.07Å; T38-P73 HydrophobicContact CG2-CB 4.38Å
39S79.1Confident78.6Confident54 Ų5464.6 Ų64.638%0.37835%0.353SS..Hα-helixtrans-59.9-46.7172.8179.20000112S35 Y36 L41 E42 Q43S35-S39 PolarHBondContact O-N 3.29Å; Y36-S39 PolarHBondContact O-N 3.02Å; S39-L41 VanDerWaalsContact C-N 3.35Å; S39-L41 PolarHBondContact O-N 2.95Å; S39-E42 PolarHBondContact O-N 3.13Å; S39-Q43 WeakPolarHBondContact O-CG 3.19Å; S39-Q43 PolarHBondContact O-N 3.15Å
40Q82.2Confident78.2Confident11 Ų1166 Ų665%0.05137%0.368CS..Hα-helixtrans-64.3-38.9178.3-68.9-58.6-23.400112.2A28 Y36 R37 Q43 L44A28-Q40 HydrophobicContact CB-CB 3.99Å; Y36-Q40 HydrophobicContact CD1-CG 4.08Å; Y36-Q40 HydrophobicContact CE1-CG 3.71Å; Y36-Q40 HydrophobicContact CE2-CG 4.38Å; Y36-Q40 VanDerWaalsContact CZ-NE2 3.27Å; Y36-Q40 WeakPolarHBondContact O-CG 3.43Å; Y36-Q40 PolarHBondContact O-N 3.07Å; Y36-Q40 PolarHBondContact OH-NE2 2.98Å; R37-Q40 PolarHBondContact O-N 3.16Å; Q40-Q43 PolarHBondContact O-N 3.21Å; Q40-L44 WeakPolarHBondContact O-CB 3.34Å; Q40-L44 PolarHBondContact O-N 3.19Å
41L83.8Confident78Confident14 Ų1462.4 Ų62.47%0.07334%0.342CS..Hα-helixtrans-66.8-36.7175.5-68.4174.2000112.9A28 R37 T38 S39 L44 K45 P73 I74 F77A28-L41 HydrophobicContact CB-CD2 4.02Å; A28-L41 HydrophobicContact CB-CG 4.2Å; R37-L41 HydrophobicContact CG-CD1 4.19Å; R37-L41 VanDerWaalsContact O-CG 3.27Å; R37-L41 WeakPolarHBondContact O-CG 3.25Å; R37-L41 PolarHBondContact O-N 3.24Å; T38-L41 PolarHBondContact O-N 3.38Å; S39-L41 VanDerWaalsContact C-N 3.35Å; S39-L41 PolarHBondContact O-N 2.95Å; L41-L44 HydrophobicContact CD2-CD1 4.41Å; L41-L44 WeakPolarHBondContact O-CB 3.04Å; L41-L44 PolarHBondContact O-N 3.43Å; L41-K45 WeakPolarHBondContact O-CB 3.33Å; L41-K45 PolarHBondContact O-N 2.98Å; L41-P73 HydrophobicContact CD1-CB 4.01Å; L41-I74 HydrophobicContact CD1-CG1 4.27Å; L41-F77 HydrophobicContact CB-CD2 4.27Å; L41-F77 HydrophobicContact CD1-CB 4.26Å; L41-F77 HydrophobicContact CD2-CB 3.97Å; L41-F77 HydrophobicContact CD2-CD1 3.9Å; L41-F77 HydrophobicContact CD2-CD2 4.1Å; L41-F77 HydrophobicContact CD2-CE1 4.44Å; L41-F77 HydrophobicContact CD2-CG 3.72Å
42E78.7Confident78Confident104 Ų10465 Ų6549%0.48636%0.355SS..Hα-helixtrans-68.7-40.3173.8-87.7-66.3159.900111.8T38 S39 L44 K45 T46T38-E42 PolarHBondContact O-N 3.07Å; S39-E42 PolarHBondContact O-N 3.13Å; E42-L44 VanDerWaalsContact C-N 3.35Å; E42-L44 PolarHBondContact O-N 3.25Å; E42-K45 WeakPolarHBondContact O-CB 3.48Å; E42-K45 PolarHBondContact O-N 2.94Å; E42-K45 VanDerWaalsContact O-N 3.17Å; E42-K45 IonicContact OE1-NZ 2.84Å; E42-K45 PolarHBondContact OE1-NZ 2.98Å; E42-T46 WeakPolarHBondContact O-CG2 3.38Å; E42-T46 PolarHBondContact O-N 3.14Å; E42-T46 PolarHBondContact O-OG1 3.03Å
43Q80Confident78.3Confident84 Ų8461 Ų6139%0.39333%0.333SS..Hα-helixtrans-60-46.8172.4-71.6-178.214.800111.1S39 Q40 K45 T46 A47S39-Q43 WeakPolarHBondContact O-CG 3.19Å; S39-Q43 PolarHBondContact O-N 3.15Å; Q40-Q43 PolarHBondContact O-N 3.21Å; Q43-K45 VanDerWaalsContact C-N 3.32Å; Q43-K45 PolarHBondContact O-N 2.84Å; Q43-T46 PolarHBondContact O-N 3.2Å; Q43-T46 PolarHBondContact O-OG1 3.45Å; Q43-A47 WeakPolarHBondContact O-CB 3.5Å; Q43-A47 PolarHBondContact O-N 3.24Å
44L81.8Confident78.2Confident0 Ų060.3 Ų60.30%034%0.336CS..Hα-helixtrans-54.3-46.8172-100.2160.7000112L21 F24 L25 Q40 L41 E42 T46 A47 V48 F59 F77L21-L44 HydrophobicContact CB-CD2 4.49Å; L21-L44 HydrophobicContact CD2-CD2 3.92Å; F24-L44 HydrophobicContact CB-CD1 3.94Å; F24-L44 HydrophobicContact CB-CD2 4.45Å; F24-L44 HydrophobicContact CB-CG 3.79Å; L25-L44 HydrophobicContact CB-CD1 4.07Å; L25-L44 HydrophobicContact CD1-CD1 4.02Å; Q40-L44 WeakPolarHBondContact O-CB 3.34Å; Q40-L44 PolarHBondContact O-N 3.19Å; L41-L44 HydrophobicContact CD2-CD1 4.41Å; L41-L44 WeakPolarHBondContact O-CB 3.04Å; L41-L44 PolarHBondContact O-N 3.43Å; E42-L44 VanDerWaalsContact C-N 3.35Å; E42-L44 PolarHBondContact O-N 3.25Å; L44-T46 PolarHBondContact O-N 3.16Å; L44-A47 PolarHBondContact O-N 3.31Å; L44-V48 WeakPolarHBondContact O-CB 3.49Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.2Å; L44-F59 HydrophobicContact CD2-CE1 3.96Å; L44-F59 HydrophobicContact CD2-CZ 3.72Å; L44-F77 HydrophobicContact CB-CE2 3.8Å; L44-F77 HydrophobicContact CB-CZ 3.81Å; L44-F77 HydrophobicContact CD1-CZ 4.36Å; L44-F77 HydrophobicContact CD2-CZ 4.35Å; L44-F77 HydrophobicContact CG-CZ 4.42Å
45K78.8Confident78.4Confident70 Ų7054.4 Ų54.430%0.30431%0.308SS..Hα-helixtrans-60.2-44.7179.7-177.5-177.3173.7-172.40112.1L41 E42 Q43 V48 T49 F77L41-K45 WeakPolarHBondContact O-CB 3.33Å; L41-K45 PolarHBondContact O-N 2.98Å; E42-K45 WeakPolarHBondContact O-CB 3.48Å; E42-K45 PolarHBondContact O-N 2.94Å; E42-K45 VanDerWaalsContact O-N 3.17Å; E42-K45 IonicContact OE1-NZ 2.84Å; E42-K45 PolarHBondContact OE1-NZ 2.98Å; Q43-K45 VanDerWaalsContact C-N 3.32Å; Q43-K45 PolarHBondContact O-N 2.84Å; K45-V48 PolarHBondContact O-N 3.16Å; K45-T49 PolarHBondContact O-N 3.2Å; K45-F77 HydrophobicContact CB-CE2 4.28Å
46T77.7Confident78.8Confident86 Ų8650.8 Ų50.853%0.52828%0.283SS..Hα-helixtrans-63.3-43.7176.559.80000111.5E42 Q43 L44 V48 T49E42-T46 WeakPolarHBondContact O-CG2 3.38Å; E42-T46 PolarHBondContact O-N 3.14Å; E42-T46 PolarHBondContact O-OG1 3.03Å; Q43-T46 PolarHBondContact O-N 3.2Å; Q43-T46 PolarHBondContact O-OG1 3.45Å; L44-T46 PolarHBondContact O-N 3.16Å; T46-V48 PolarHBondContact O-N 3.41Å; T46-T49 PolarHBondContact O-N 3.05Å; T46-T49 PolarHBondContact O-OG1 3.15Å
47A77.5Confident79Confident25 Ų2549.6 Ų49.621%0.20728%0.28CS..Hα-helixtrans-62.3-43.4178.600000111.6L21 Q43 L44 T49 S50 M51L21-A47 HydrophobicContact CD2-CB 3.63Å; Q43-A47 WeakPolarHBondContact O-CB 3.5Å; Q43-A47 PolarHBondContact O-N 3.24Å; L44-A47 PolarHBondContact O-N 3.31Å; A47-T49 VanDerWaalsContact C-N 3.28Å; A47-T49 PolarHBondContact O-N 3.25Å; A47-S50 CarbonylContact O-C 3.54Å; A47-S50 PolarHBondContact O-N 3.24Å; A47-S50 PolarHBondContact O-OG 3.3Å; A47-M51 WeakPolarHBondContact O-CG 3.35Å; A47-M51 PolarHBondContact O-N 2.67Å
48V77.1Confident78.9Confident1 Ų151.2 Ų51.21%0.00630%0.296CS..Hα-helixtrans-57.1-38.1179.8168.20000112.9L44 K45 T46 S50 M51 F56 F81 I84L44-V48 WeakPolarHBondContact O-CB 3.49Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.2Å; K45-V48 PolarHBondContact O-N 3.16Å; T46-V48 PolarHBondContact O-N 3.41Å; V48-S50 PolarHBondContact O-N 2.94Å; V48-M51 HydrophobicContact CB-SD 4.24Å; V48-M51 HydrophobicContact CG2-SD 3.83Å; V48-M51 PolarHBondContact O-N 3.03Å; V48-F56 HydrophobicContact CG1-CD2 4.26Å; V48-F56 HydrophobicContact CG1-CE2 3.78Å; V48-F81 HydrophobicContact CB-CD2 4.28Å; V48-F81 HydrophobicContact CB-CE2 4.23Å; V48-F81 HydrophobicContact CG1-CD2 3.63Å; V48-F81 HydrophobicContact CG1-CE2 3.53Å; V48-F81 HydrophobicContact CG2-CD2 3.75Å; V48-F81 HydrophobicContact CG2-CE2 3.57Å; V48-I84 HydrophobicContact CG1-CG2 4.33Å
49T74.6Confident79.2Confident92 Ų9248.1 Ų48.156%0.56428%0.276SS*.Hα-helixtrans-66.6-21.1177.959.80000113.8K45 T46 A47 I84K45-T49 PolarHBondContact O-N 3.2Å; T46-T49 PolarHBondContact O-N 3.05Å; T46-T49 PolarHBondContact O-OG1 3.15Å; A47-T49 VanDerWaalsContact C-N 3.28Å; A47-T49 PolarHBondContact O-N 3.25Å; T49-I84 HydrophobicContact CG2-CD1 4.27Å
50S74.6Confident79.5Confident93 Ų9345.6 Ų45.665%0.6526%0.259SS*.THydrogen-bonded Turntrans-104.32.2-18062.90000114.6A47 V48A47-S50 CarbonylContact O-C 3.54Å; A47-S50 PolarHBondContact O-N 3.24Å; A47-S50 PolarHBondContact O-OG 3.3Å; V48-S50 PolarHBondContact O-N 2.94Å
51M76.7Confident79.6Confident14 Ų1449.4 Ų49.47%0.06928%0.279CS..  trans-71.8145.7-176.4-76.8172.173.900113.1L21 A47 V48 V55 F56 F59 R88L21-M51 HydrophobicContact CD1-CE 3.28Å; L21-M51 HydrophobicContact CD1-CG 4Å; L21-M51 HydrophobicContact CD1-SD 3.43Å; L21-M51 WeakPolarHBondContact CD1-SD 3.5Å; L21-M51 HydrophobicContact CD2-SD 4.37Å; A47-M51 WeakPolarHBondContact O-CG 3.35Å; A47-M51 PolarHBondContact O-N 2.67Å; V48-M51 HydrophobicContact CB-SD 4.24Å; V48-M51 HydrophobicContact CG2-SD 3.83Å; V48-M51 PolarHBondContact O-N 3.03Å; M51-V55 HydrophobicContact CE-CB 4.05Å; M51-V55 HydrophobicContact CE-CG1 3.34Å; M51-F56 HydrophobicContact CE-CB 4.48Å; M51-F59 HydrophobicContact CE-CB 4.05Å; M51-F59 HydrophobicContact CE-CD1 4.48Å; M51-F59 HydrophobicContact CE-CG 4.39Å; M51-R88 VanDerWaalsContact O-CZ 3.27Å; M51-R88 PolarHBondContact O-NH1 3.13Å; M51-R88 PolarHBondContact O-NH2 3.5Å
52D79.1Confident79.5Confident72 Ų7255.1 Ų55.139%0.38530%0.3SS..  trans-69.5150.2168.1-60.8-53000111K17 S54 V55 F56K17-D52 IonicContact NZ-OD2 3.53Å; K17-D52 PolarHBondContact NZ-OD2 3.36Å; D52-S54 PolarHBondContact O-N 3.24Å; D52-V55 HydrophobicContact CB-CG2 4.39Å; D52-V55 PolarHBondContact O-N 3.24Å; D52-F56 WeakPolarHBondContact O-CB 3.37Å; D52-F56 PolarHBondContact O-N 2.98Å
53D79.1Confident79.8Confident72 Ų7250.2 Ų50.239%0.38528%0.277SS..Hα-helixtrans-62.6-40.3-170.1-74.4-22.9000113.3V55 F56 F57 R88 H89D53-V55 PolarHBondContact O-N 3.43Å; D53-F56 WeakPolarHBondContact O-CB 3.44Å; D53-F56 PolarHBondContact O-N 3.03Å; D53-F57 HydrophobicContact CB-CE2 4.2Å; D53-F57 WeakPolarHBondContact O-CD2 3.24Å; D53-F57 PolarHBondContact O-N 3.09Å; D53-R88 IonicContact OD1-CZ 3.17Å; D53-R88 IonicContact OD1-NE 3.27Å; D53-R88 PolarHBondContact OD1-NE 3.26Å; D53-R88 IonicContact OD1-NH2 3.85Å; D53-R88 PolarHBondContact OD1-NH2 3.18Å; D53-H89 VanDerWaalsContact CG-NE2 3.33Å; D53-H89 IonicContact OD1-CE1 3.36Å; D53-H89 PolarHBondContact OD1-CE1 3.45Å; D53-H89 VanDerWaalsContact OD1-CE1 3.22Å; D53-H89 IonicContact OD1-NE2 3.06Å; D53-H89 PolarHBondContact OD1-NE2 2.98Å; D53-H89 IonicContact OD2-CE1 3.4Å; D53-H89 PolarHBondContact OD2-CE1 3.14Å; D53-H89 IonicContact OD2-NE2 3.67Å
54S76.7Confident80.1Confident76 Ų7646.9 Ų46.953%0.53126%0.262SS..Hα-helixtrans-60.2-47.6179.253.60000112D52 F56 F57 S58D52-S54 PolarHBondContact O-N 3.24Å; S54-F56 VanDerWaalsContact C-N 3.35Å; S54-F57 PolarHBondContact O-N 2.62Å; S54-S58 PolarHBondContact O-N 2.89Å
55V78.2Confident80.3Confident6 Ų652.7 Ų52.74%0.03629%0.293CS..Hα-helixtrans-63.5-43.8177.6-1770000109.6D14 V18 L21 M51 D52 D53 F57 S58 F59D14-V55 HydrophobicContact CB-CG2 4.12Å; V18-V55 HydrophobicContact CG2-CB 4.31Å; V18-V55 HydrophobicContact CG2-CG1 3.47Å; V18-V55 VanDerWaalsContact CG2-CG1 3.47Å; V18-V55 HydrophobicContact CG2-CG2 4.39Å; L21-V55 HydrophobicContact CD1-CG1 4.31Å; M51-V55 HydrophobicContact CE-CB 4.05Å; M51-V55 HydrophobicContact CE-CG1 3.34Å; D52-V55 HydrophobicContact CB-CG2 4.39Å; D52-V55 PolarHBondContact O-N 3.24Å; D53-V55 PolarHBondContact O-N 3.43Å; V55-F57 PolarHBondContact O-N 3.38Å; V55-S58 PolarHBondContact O-N 2.86Å; V55-S58 PolarHBondContact O-OG 3.35Å; V55-F59 PolarHBondContact O-N 3.31Å; V55-F59 VanDerWaalsContact O-N 3.09Å
56F83.4Confident80.7Confident0 Ų050.7 Ų50.70%029%0.285CS..Hα-helixtrans-58.5-47.7179.4-175.4-93.4000112.5V48 M51 D52 D53 S54 S58 F59 F60 F81 L92V48-F56 HydrophobicContact CG1-CD2 4.26Å; V48-F56 HydrophobicContact CG1-CE2 3.78Å; M51-F56 HydrophobicContact CE-CB 4.48Å; D52-F56 WeakPolarHBondContact O-CB 3.37Å; D52-F56 PolarHBondContact O-N 2.98Å; D53-F56 WeakPolarHBondContact O-CB 3.44Å; D53-F56 PolarHBondContact O-N 3.03Å; S54-F56 VanDerWaalsContact C-N 3.35Å; F56-S58 PolarHBondContact O-N 3.29Å; F56-F59 PolarHBondContact O-N 3.15Å; F56-F60 AromaticContact CE1-CD2 3.72Å; F56-F60 HydrophobicContact CE1-CD2 3.72Å; F56-F60 HydrophobicContact CE1-CE2 4.37Å; F56-F60 AromaticContact CZ-CD2 3.82Å; F56-F60 HydrophobicContact CZ-CD2 3.82Å; F56-F60 HydrophobicContact CZ-CE2 4.38Å; F56-F60 WeakPolarHBondContact O-CB 3.48Å; F56-F60 PolarHBondContact O-N 2.98Å; F56-F81 HydrophobicContact CD2-CE2 4.35Å; F56-F81 HydrophobicContact CD2-CZ 4.23Å; F56-F81 HydrophobicContact CE2-CD2 4.5Å; F56-F81 HydrophobicContact CE2-CE1 4.33Å; F56-F81 AromaticContact CE2-CE2 3.64Å; F56-F81 HydrophobicContact CE2-CE2 3.64Å; F56-F81 AromaticContact CE2-CZ 3.54Å; F56-F81 HydrophobicContact CE2-CZ 3.54Å; F56-F81 HydrophobicContact CZ-CE1 4.18Å; F56-F81 HydrophobicContact CZ-CE2 4.28Å; F56-F81 AromaticContact CZ-CZ 3.81Å; F56-F81 HydrophobicContact CZ-CZ 3.81Å; F56-L92 HydrophobicContact CD1-CD1 4.41Å; F56-L92 HydrophobicContact CE1-CD1 3.71Å
57F82.8Confident81.1Confident73 Ų7348.6 Ų48.632%0.3227%0.27SS..Hα-helixtrans-61.2-42.3178.4-70.9-61.7000112.5D53 S54 V55 F59 F60 H89 L92D53-F57 HydrophobicContact CB-CE2 4.2Å; D53-F57 WeakPolarHBondContact O-CD2 3.24Å; D53-F57 PolarHBondContact O-N 3.09Å; S54-F57 PolarHBondContact O-N 2.62Å; V55-F57 PolarHBondContact O-N 3.38Å; F57-F59 VanDerWaalsContact C-N 3.28Å; F57-F59 PolarHBondContact O-N 3.38Å; F57-F60 WeakPolarHBondContact O-CB 3.42Å; F57-F60 PolarHBondContact O-N 3.4Å; F57-H89 HydrophobicContact CE1-CB 4.17Å; F57-H89 HydrophobicContact CZ-CB 4.14Å; F57-H89 AromaticContact CZ-CD2 3.78Å; F57-H89 AromaticContact CZ-CE1 3.91Å; F57-H89 AromaticContact CZ-CG 3.62Å; F57-H89 AromaticContact CZ-ND1 3.72Å; F57-H89 AromaticContact CZ-NE2 3.95Å; F57-L92 HydrophobicContact CD1-CD1 4.27Å; F57-L92 HydrophobicContact CD1-CD2 3.98Å; F57-L92 HydrophobicContact CE1-CD1 3.93Å; F57-L92 HydrophobicContact CE1-CD2 3.88Å; F57-L92 HydrophobicContact CE1-CG 4.04Å
58S79.3Confident81.4Confident62 Ų6253.6 Ų53.643%0.43429%0.288SS..Hα-helixtrans-64.2-33.5178.275.80000113.1S54 V55 F56S54-S58 PolarHBondContact O-N 2.89Å; V55-S58 PolarHBondContact O-N 2.86Å; V55-S58 PolarHBondContact O-OG 3.35Å; F56-S58 PolarHBondContact O-N 3.29Å
59F82.1Confident81.8Confident1 Ų155.3 Ų55.30%0.00430%0.298CS..Hα-helixtrans-81.5-25.3179.5-164.3-111.9000112.2L21 L25 L44 M51 V55 F56 F57 D61 R62 V63 F81L21-F59 HydrophobicContact CB-CD2 4.38Å; L21-F59 HydrophobicContact CB-CE2 3.94Å; L21-F59 HydrophobicContact CB-CZ 4.16Å; L25-F59 HydrophobicContact CB-CZ 4.25Å; L25-F59 HydrophobicContact CD1-CZ 4.08Å; L25-F59 HydrophobicContact CD2-CE2 4.43Å; L25-F59 HydrophobicContact CD2-CZ 4.34Å; L25-F59 HydrophobicContact CG-CZ 4.47Å; L44-F59 HydrophobicContact CD2-CE1 3.96Å; L44-F59 HydrophobicContact CD2-CZ 3.72Å; M51-F59 HydrophobicContact CE-CB 4.05Å; M51-F59 HydrophobicContact CE-CD1 4.48Å; M51-F59 HydrophobicContact CE-CG 4.39Å; V55-F59 PolarHBondContact O-N 3.31Å; V55-F59 VanDerWaalsContact O-N 3.09Å; F56-F59 PolarHBondContact O-N 3.15Å; F57-F59 VanDerWaalsContact C-N 3.28Å; F57-F59 PolarHBondContact O-N 3.38Å; F59-D61 PolarHBondContact O-N 2.99Å; F59-R62 PolarHBondContact O-N 3.01Å; F59-V63 HydrophobicContact CD1-CG2 3.57Å; F59-V63 HydrophobicContact CE1-CG2 3.3Å; F59-V63 HydrophobicContact CG-CG2 4.35Å; F59-V63 HydrophobicContact CZ-CG2 3.87Å; F59-V63 PolarHBondContact O-N 3.25Å; F59-V63 VanDerWaalsContact O-N 3.12Å; F59-F81 AromaticContact CD1-CE2 3.85Å; F59-F81 HydrophobicContact CD1-CE2 3.85Å; F59-F81 AromaticContact CD1-CZ 3.85Å; F59-F81 HydrophobicContact CD1-CZ 3.85Å; F59-F81 HydrophobicContact CE1-CE2 4.19Å
60F85.7Confident82.2Confident1 Ų156.4 Ų56.40%0.00431%0.306CS..Hα-helixtrans-59.7-48.3-173.6-170.3-96.4000113.4F56 F57 R62 V63 M64 F81 L82 L92F56-F60 AromaticContact CE1-CD2 3.72Å; F56-F60 HydrophobicContact CE1-CD2 3.72Å; F56-F60 HydrophobicContact CE1-CE2 4.37Å; F56-F60 AromaticContact CZ-CD2 3.82Å; F56-F60 HydrophobicContact CZ-CD2 3.82Å; F56-F60 HydrophobicContact CZ-CE2 4.38Å; F56-F60 WeakPolarHBondContact O-CB 3.48Å; F56-F60 PolarHBondContact O-N 2.98Å; F57-F60 WeakPolarHBondContact O-CB 3.42Å; F57-F60 PolarHBondContact O-N 3.4Å; F60-R62 VanDerWaalsContact C-N 3.3Å; F60-R62 PolarHBondContact O-N 3.35Å; F60-V63 PolarHBondContact O-N 3.38Å; F60-M64 HydrophobicContact CD1-CE 3.42Å; F60-M64 VanDerWaalsContact CD1-CE 3.42Å; F60-M64 HydrophobicContact CD1-CG 4.4Å; F60-M64 HydrophobicContact CD1-SD 4.03Å; F60-M64 HydrophobicContact CE1-CE 3.39Å; F60-M64 HydrophobicContact CE1-CG 4.06Å; F60-M64 HydrophobicContact CE1-SD 3.41Å; F60-M64 WeakPolarHBondContact CE1-SD 3.49Å; F60-M64 HydrophobicContact CZ-CG 4.44Å; F60-M64 HydrophobicContact CZ-SD 4.08Å; F60-M64 PolarHBondContact O-N 2.91Å; F60-F81 HydrophobicContact CB-CE1 4.31Å; F60-F81 HydrophobicContact CD2-CD1 4.26Å; F60-F81 AromaticContact CD2-CE1 3.46Å; F60-F81 HydrophobicContact CD2-CE1 3.46Å; F60-F81 VanDerWaalsContact CD2-CE1 3.46Å; F60-F81 HydrophobicContact CD2-CZ 4.18Å; F60-F81 HydrophobicContact CE2-CD1 4.5Å; F60-F81 HydrophobicContact CE2-CE1 4.11Å; F60-F81 HydrophobicContact CG-CE1 4.18Å; F60-L82 HydrophobicContact CE1-CD2 4.2Å; F60-L82 HydrophobicContact CE2-CD2 3.72Å; F60-L82 HydrophobicContact CZ-CD2 3.38Å; F60-L92 HydrophobicContact CD1-CD1 4.39Å; F60-L92 HydrophobicContact CD1-CD2 4.02Å; F60-L92 HydrophobicContact CD2-CD1 3.82Å; F60-L92 HydrophobicContact CE1-CB 4.1Å; F60-L92 HydrophobicContact CE1-CD1 4.28Å; F60-L92 HydrophobicContact CE1-CD2 3.95Å; F60-L92 HydrophobicContact CE1-CG 4.35Å; F60-L92 HydrophobicContact CE2-CB 4.34Å; F60-L92 HydrophobicContact CE2-CD1 3.73Å; F60-L92 HydrophobicContact CG-CD1 4.17Å; F60-L92 HydrophobicContact CG-CD2 4.49Å; F60-L92 HydrophobicContact CZ-CB 3.8Å; F60-L92 HydrophobicContact CZ-CD1 3.97Å; F60-L92 HydrophobicContact CZ-CD2 4.38Å; F60-L92 HydrophobicContact CZ-CG 4.28Å
61D82.9Confident82.7Confident91 Ų9153 Ų5349%0.48728%0.282SS..Hα-helixtrans-63.5-36.3178.7-71.4-28.4000112.3F59 M64 N65F59-D61 PolarHBondContact O-N 2.99Å; D61-M64 PolarHBondContact O-N 2.92Å; D61-M64 WeakPolarHBondContact OD1-CE 3.33Å; D61-N65 VanDerWaalsContact O-CG 3.28Å; D61-N65 PolarHBondContact O-N 2.93Å; D61-N65 PolarHBondContact O-ND2 3.07Å; D61-N65 VanDerWaalsContact O-ND2 3.1Å
62R82.2Confident83.2Confident135 Ų13555.7 Ų55.751%0.50930%0.296SS..Hα-helixtrans-65-42.6177.3-75.2179.8176.8171.80.8111.8C22 F59 F60C22-R62 PolarHBondContact SG-NH1 3.36Å; F59-R62 PolarHBondContact O-N 3.01Å; F60-R62 VanDerWaalsContact C-N 3.3Å; F60-R62 PolarHBondContact O-N 3.35Å
63V86.3Confident83.5Confident0 Ų053.8 Ų53.80%029%0.288CS..Hα-helixtrans-70.6-40.7178.4179.40000111.2L25 F59 F60 N65 L66 F77 V78 F81L25-V63 HydrophobicContact CD1-CG2 4.32Å; F59-V63 HydrophobicContact CD1-CG2 3.57Å; F59-V63 HydrophobicContact CE1-CG2 3.3Å; F59-V63 HydrophobicContact CG-CG2 4.35Å; F59-V63 HydrophobicContact CZ-CG2 3.87Å; F59-V63 PolarHBondContact O-N 3.25Å; F59-V63 VanDerWaalsContact O-N 3.12Å; F60-V63 PolarHBondContact O-N 3.38Å; V63-N65 VanDerWaalsContact C-N 3.28Å; V63-N65 PolarHBondContact O-N 3.3Å; V63-L66 WeakPolarHBondContact O-CB 3.3Å; V63-L66 PolarHBondContact O-N 3.34Å; V63-F77 HydrophobicContact CG1-CD1 4.33Å; V63-F77 HydrophobicContact CG1-CE1 3.96Å; V63-F77 HydrophobicContact CG2-CE1 4.47Å; V63-V78 HydrophobicContact CG1-CB 4.49Å; V63-V78 HydrophobicContact CG1-CG2 4Å; V63-F81 HydrophobicContact CB-CD1 3.79Å; V63-F81 HydrophobicContact CB-CE1 3.77Å; V63-F81 HydrophobicContact CB-CG 4.36Å; V63-F81 HydrophobicContact CB-CZ 4.35Å; V63-F81 HydrophobicContact CG1-CB 4.1Å; V63-F81 HydrophobicContact CG1-CD1 3.51Å; V63-F81 HydrophobicContact CG1-CD2 4.5Å; V63-F81 HydrophobicContact CG1-CE1 4.05Å; V63-F81 HydrophobicContact CG1-CG 3.78Å; V63-F81 HydrophobicContact CG2-CD1 4.25Å; V63-F81 HydrophobicContact CG2-CE1 4.03Å; V63-F81 HydrophobicContact CG2-CE2 4.33Å; V63-F81 HydrophobicContact CG2-CZ 4.08Å
64M85.6Confident83.9Confident15 Ų1550.6 Ų50.67%0.07427%0.271CS..Hα-helixtrans-57.7-39.1176.6-90.1-167.4-53.100113.2F60 D61 L66 Q67 L82 V95F60-M64 HydrophobicContact CD1-CE 3.42Å; F60-M64 VanDerWaalsContact CD1-CE 3.42Å; F60-M64 HydrophobicContact CD1-CG 4.4Å; F60-M64 HydrophobicContact CD1-SD 4.03Å; F60-M64 HydrophobicContact CE1-CE 3.39Å; F60-M64 HydrophobicContact CE1-CG 4.06Å; F60-M64 HydrophobicContact CE1-SD 3.41Å; F60-M64 WeakPolarHBondContact CE1-SD 3.49Å; F60-M64 HydrophobicContact CZ-CG 4.44Å; F60-M64 HydrophobicContact CZ-SD 4.08Å; F60-M64 PolarHBondContact O-N 2.91Å; D61-M64 PolarHBondContact O-N 2.92Å; D61-M64 WeakPolarHBondContact OD1-CE 3.33Å; M64-L66 PolarHBondContact O-N 2.91Å; M64-Q67 WeakPolarHBondContact O-CB 3.16Å; M64-Q67 PolarHBondContact O-N 3.34Å; M64-Q67 VanDerWaalsContact O-N 3.1Å; M64-L82 HydrophobicContact CG-CD2 3.58Å; M64-L82 HydrophobicContact SD-CD2 4.08Å; M64-V95 HydrophobicContact CE-CB 4.23Å; M64-V95 HydrophobicContact CE-CG1 3.44Å; M64-V95 VanDerWaalsContact CE-CG1 3.44Å; M64-V95 HydrophobicContact SD-CB 4.36Å; M64-V95 HydrophobicContact SD-CG1 3.92Å
65N86.2Confident84.6Confident121 Ų12148.5 Ų48.565%0.64725%0.251SS*.G310 helixtrans-63.2-13.5179.4-72.8-30.4000113.5D61 V63 Q67D61-N65 VanDerWaalsContact O-CG 3.28Å; D61-N65 PolarHBondContact O-N 2.93Å; D61-N65 PolarHBondContact O-ND2 3.07Å; D61-N65 VanDerWaalsContact O-ND2 3.1Å; V63-N65 VanDerWaalsContact C-N 3.28Å; V63-N65 PolarHBondContact O-N 3.3Å; N65-Q67 VanDerWaalsContact C-N 3.26Å; N65-Q67 PolarHBondContact O-N 3.45Å
66L87Confident85.3Confident28 Ų2850.3 Ų50.315%0.14726%0.261CS..G310 helixtrans-81.23.2175.8-57.2178.7000114.1L25 L29 V63 M64 H68 N69 I74 V78L25-L66 HydrophobicContact CD1-CD1 3.87Å; L25-L66 HydrophobicContact CD2-CD1 4.07Å; L25-L66 HydrophobicContact CG-CD1 4.16Å; L29-L66 HydrophobicContact CD1-CD1 4.25Å; L29-L66 HydrophobicContact CD1-CD2 3.96Å; L29-L66 HydrophobicContact CD2-CD1 4.23Å; L29-L66 HydrophobicContact CD2-CD2 3.85Å; V63-L66 WeakPolarHBondContact O-CB 3.3Å; V63-L66 PolarHBondContact O-N 3.34Å; M64-L66 PolarHBondContact O-N 2.91Å; L66-H68 PolarHBondContact O-N 2.94Å; L66-H68 VanDerWaalsContact O-N 3.11Å; L66-N69 WeakPolarHBondContact O-CB 3.36Å; L66-N69 PolarHBondContact O-N 3.11Å; L66-I74 HydrophobicContact CB-CG2 4.1Å; L66-I74 HydrophobicContact CD1-CG2 4.22Å; L66-V78 HydrophobicContact CB-CG2 3.84Å
67Q85.3Confident85.6Confident43 Ų4351.1 Ų51.120%0.20126%0.264CS..G310 helixtrans-55.6-29.6179.366.1178.5-11.100114.4M64 N65 N69 C99M64-Q67 WeakPolarHBondContact O-CB 3.16Å; M64-Q67 PolarHBondContact O-N 3.34Å; M64-Q67 VanDerWaalsContact O-N 3.1Å; N65-Q67 VanDerWaalsContact C-N 3.26Å; N65-Q67 PolarHBondContact O-N 3.45Å; Q67-N69 VanDerWaalsContact C-N 3.3Å; Q67-C99 VanDerWaalsContact CB-SG 3.57Å; Q67-C99 VanDerWaalsContact OE1-CB 3.31Å; Q67-C99 PolarHBondContact OE1-SG 3.45Å
68H85.2Confident86Confident130 Ų13047.6 Ų47.660%0.60225%0.249SC*.G310 helixtrans-88.14180-59.6-59.6000113.3L66L66-H68 PolarHBondContact O-N 2.94Å; L66-H68 VanDerWaalsContact O-N 3.11Å
69N85.5Confident86.7Confident37 Ų3744.7 Ų44.720%0.19823%0.228CC..  trans-66.1132.4-177.7-164.1-70000110.4L29 L66 Q67 S71 I74 R75L29-N69 WeakPolarHBondContact CD2-ND2 3.3Å; L66-N69 WeakPolarHBondContact O-CB 3.36Å; L66-N69 PolarHBondContact O-N 3.11Å; Q67-N69 VanDerWaalsContact C-N 3.3Å; N69-S71 PolarHBondContact O-N 3.5Å; N69-S71 WeakPolarHBondContact OD1-CB 3.38Å; N69-S71 PolarHBondContact OD1-N 2.88Å; N69-I74 HydrophobicContact CB-CB 4.42Å; N69-I74 HydrophobicContact CB-CG2 3.92Å; N69-R75 VanDerWaalsContact O-CD 3.27Å; N69-R75 WeakPolarHBondContact O-CD 3.41Å; N69-R75 WeakPolarHBondContact O-CG 3.4Å; N69-R75 PolarHBondContact O-NE 3.43Å
70P83.4Confident87.1Confident114 Ų11446 Ų4674%0.7423%0.234SC*.SBendtrans-62.6-29.6-179.924.1-34.1000112.5I72 R75P70-I72 PolarHBondContact O-N 3.41Å; P70-R75 PolarHBondContact O-NH2 3.09Å
71S84.6Confident87.3Confident22 Ų2246.1 Ų46.115%0.15424%0.235CC..  trans-65.7122.3-178.5-171.80000111.7N69 P73 R75N69-S71 PolarHBondContact O-N 3.5Å; N69-S71 WeakPolarHBondContact OD1-CB 3.38Å; N69-S71 PolarHBondContact OD1-N 2.88Å; S71-P73 WeakPolarHBondContact OG-CD 3.46Å; S71-R75 PolarHBondContact O-N 3.08Å
72I86.9Confident87.8Confident70 Ų7041.8 Ų41.836%0.35921%0.212SC..Hα-helixtrans-62.1-49.9175.8-62.9168.4000110.7P70 I74 R75 L76 A110 V111P70-I72 PolarHBondContact O-N 3.41Å; I72-I74 VanDerWaalsContact C-N 3.27Å; I72-I74 PolarHBondContact O-N 3.02Å; I72-R75 WeakPolarHBondContact O-CA 3.48Å; I72-R75 WeakPolarHBondContact O-CB 3.3Å; I72-R75 PolarHBondContact O-N 3.28Å; I72-L76 HydrophobicContact CG2-CD1 4.07Å; I72-L76 HydrophobicContact CG2-CD2 4.32Å; I72-L76 HydrophobicContact CG2-CG 4.02Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 2.83Å; I72-A110 HydrophobicContact CG2-CB 4.1Å; I72-V111 HydrophobicContact CG2-CG2 4.49Å
73P86.1Confident88.3Confident33 Ų3337.7 Ų37.721%0.21420%0.196CC..Hα-helixtrans-52.4-41.6178.2-28.934.1000114.3T38 L41 S71 L76 F77T38-P73 HydrophobicContact CG2-CB 4.38Å; L41-P73 HydrophobicContact CD1-CB 4.01Å; S71-P73 WeakPolarHBondContact OG-CD 3.46Å; P73-L76 PolarHBondContact O-N 3.28Å; P73-F77 PolarHBondContact O-N 3.3Å
74I86.5Confident88.4Confident4 Ų438.9 Ų38.92%0.02120%0.202CC..Hα-helixtrans-64.6-44.9177.9-67.7168000110.2L29 L41 L66 N69 I72 L76 F77 V78L29-I74 HydrophobicContact CD2-CD1 3.69Å; L29-I74 HydrophobicContact CD2-CG2 4.49Å; L41-I74 HydrophobicContact CD1-CG1 4.27Å; L66-I74 HydrophobicContact CB-CG2 4.1Å; L66-I74 HydrophobicContact CD1-CG2 4.22Å; N69-I74 HydrophobicContact CB-CB 4.42Å; N69-I74 HydrophobicContact CB-CG2 3.92Å; I72-I74 VanDerWaalsContact C-N 3.27Å; I72-I74 PolarHBondContact O-N 3.02Å; I74-L76 VanDerWaalsContact C-N 3.35Å; I74-L76 PolarHBondContact O-N 3.4Å; I74-F77 WeakPolarHBondContact O-CB 3.5Å; I74-F77 PolarHBondContact O-N 3.42Å; I74-V78 HydrophobicContact CG2-CG2 4.48Å; I74-V78 VanDerWaalsContact O-CG2 3.31Å; I74-V78 WeakPolarHBondContact O-CG2 3.34Å; I74-V78 PolarHBondContact O-N 3.05Å
75R91.3Very high88.6Confident32 Ų3238.2 Ų38.212%0.12120%0.199CC..Hα-helixtrans-62-39.6175.7-76.1-171.6-69.2166.3-6.8112.8N69 P70 S71 I72 F77 V78 L79 M103 V111N69-R75 VanDerWaalsContact O-CD 3.27Å; N69-R75 WeakPolarHBondContact O-CD 3.41Å; N69-R75 WeakPolarHBondContact O-CG 3.4Å; N69-R75 PolarHBondContact O-NE 3.43Å; P70-R75 PolarHBondContact O-NH2 3.09Å; S71-R75 PolarHBondContact O-N 3.08Å; I72-R75 WeakPolarHBondContact O-CA 3.48Å; I72-R75 WeakPolarHBondContact O-CB 3.3Å; I72-R75 PolarHBondContact O-N 3.28Å; R75-F77 VanDerWaalsContact C-N 3.33Å; R75-V78 PolarHBondContact O-N 3.22Å; R75-L79 PolarHBondContact O-N 3.42Å; R75-M103 HydrophobicContact CB-CE 3.6Å; R75-M103 HydrophobicContact CG-CE 4.04Å; R75-M103 WeakPolarHBondContact O-CE 3.45Å; R75-V111 HydrophobicContact CB-CG2 4.45Å
76L92.3Very high88.7Confident45 Ų4532.4 Ų32.424%0.23617%0.168CC..Hα-helixtrans-64.4-39.7175-57.3-177.5000111.6I72 P73 I74 L79 E80 A110 V111 M114I72-L76 HydrophobicContact CG2-CD1 4.07Å; I72-L76 HydrophobicContact CG2-CD2 4.32Å; I72-L76 HydrophobicContact CG2-CG 4.02Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 2.83Å; P73-L76 PolarHBondContact O-N 3.28Å; I74-L76 VanDerWaalsContact C-N 3.35Å; I74-L76 PolarHBondContact O-N 3.4Å; L76-L79 PolarHBondContact O-N 3.25Å; L76-E80 PolarHBondContact O-N 3.22Å; L76-E80 VanDerWaalsContact O-N 3.09Å; L76-A110 HydrophobicContact CD1-CB 4.43Å; L76-A110 HydrophobicContact CD2-CB 4.31Å; L76-A110 WeakPolarHBondContact CD2-O 3.48Å; L76-V111 HydrophobicContact CD2-CG2 4.04Å; L76-M114 HydrophobicContact CB-CG 4.34Å; L76-M114 HydrophobicContact CD2-CB 3.95Å; L76-M114 HydrophobicContact CD2-CG 3.65Å; L76-M114 HydrophobicContact CG-CG 4.37Å
77F90.1Very high88.9Confident16 Ų1634.4 Ų34.47%0.0718%0.181CC..Hα-helixtrans-62.3-44.4173.6172.9-97.9000111.8L25 L41 L44 K45 V63 P73 I74 R75 L79 E80 F81L25-F77 HydrophobicContact CD1-CE1 4.2Å; L41-F77 HydrophobicContact CB-CD2 4.27Å; L41-F77 HydrophobicContact CD1-CB 4.26Å; L41-F77 HydrophobicContact CD2-CB 3.97Å; L41-F77 HydrophobicContact CD2-CD1 3.9Å; L41-F77 HydrophobicContact CD2-CD2 4.1Å; L41-F77 HydrophobicContact CD2-CE1 4.44Å; L41-F77 HydrophobicContact CD2-CG 3.72Å; L44-F77 HydrophobicContact CB-CE2 3.8Å; L44-F77 HydrophobicContact CB-CZ 3.81Å; L44-F77 HydrophobicContact CD1-CZ 4.36Å; L44-F77 HydrophobicContact CD2-CZ 4.35Å; L44-F77 HydrophobicContact CG-CZ 4.42Å; K45-F77 HydrophobicContact CB-CE2 4.28Å; V63-F77 HydrophobicContact CG1-CD1 4.33Å; V63-F77 HydrophobicContact CG1-CE1 3.96Å; V63-F77 HydrophobicContact CG2-CE1 4.47Å; P73-F77 PolarHBondContact O-N 3.3Å; I74-F77 WeakPolarHBondContact O-CB 3.5Å; I74-F77 PolarHBondContact O-N 3.42Å; R75-F77 VanDerWaalsContact C-N 3.33Å; F77-L79 VanDerWaalsContact C-N 3.34Å; F77-L79 PolarHBondContact O-N 3.3Å; F77-E80 PolarHBondContact O-N 3.38Å; F77-F81 HydrophobicContact CE1-CB 4.46Å; F77-F81 HydrophobicContact CZ-CD2 4.28Å; F77-F81 WeakPolarHBondContact O-CB 3.4Å; F77-F81 PolarHBondContact O-N 2.94Å
78V91.5Very high89Confident0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-57.1-47176.1173.20000110.7V63 L66 I74 R75 E80 F81 L82 M103V63-V78 HydrophobicContact CG1-CB 4.49Å; V63-V78 HydrophobicContact CG1-CG2 4Å; L66-V78 HydrophobicContact CB-CG2 3.84Å; I74-V78 HydrophobicContact CG2-CG2 4.48Å; I74-V78 VanDerWaalsContact O-CG2 3.31Å; I74-V78 WeakPolarHBondContact O-CG2 3.34Å; I74-V78 PolarHBondContact O-N 3.05Å; R75-V78 PolarHBondContact O-N 3.22Å; V78-E80 PolarHBondContact O-N 2.64Å; V78-F81 PolarHBondContact O-N 3.09Å; V78-L82 HydrophobicContact CG1-CD1 4.15Å; V78-L82 HydrophobicContact CG1-CG 4.38Å; V78-L82 WeakPolarHBondContact O-CB 3.25Å; V78-L82 VanDerWaalsContact O-CG 3.25Å; V78-L82 WeakPolarHBondContact O-CG 3.45Å; V78-L82 PolarHBondContact O-N 3.35Å; V78-M103 HydrophobicContact CG1-SD 4.44Å
79L93.7Very high89Confident0 Ų031.8 Ų31.80%017%0.165CC..Hα-helixtrans-60.5-45.5178.1-75.4178.7000112.8R75 L76 F77 L82 R83 L100 M103 V111 M114 L115 V118R75-L79 PolarHBondContact O-N 3.42Å; L76-L79 PolarHBondContact O-N 3.25Å; F77-L79 VanDerWaalsContact C-N 3.34Å; F77-L79 PolarHBondContact O-N 3.3Å; L79-L82 PolarHBondContact O-N 3.3Å; L79-R83 PolarHBondContact O-N 3.45Å; L79-L100 HydrophobicContact CD2-CD2 3.6Å; L79-M103 HydrophobicContact CD1-CE 3.8Å; L79-M103 HydrophobicContact CD2-CB 4.46Å; L79-M103 HydrophobicContact CD2-CE 3.91Å; L79-M103 HydrophobicContact CD2-SD 3.55Å; L79-M103 VanDerWaalsContact CD2-SD 3.55Å; L79-M103 HydrophobicContact CG-CE 3.51Å; L79-M103 HydrophobicContact CG-SD 3.8Å; L79-V111 HydrophobicContact CD1-CG1 3.96Å; L79-M114 HydrophobicContact CD1-CB 3.84Å; L79-L115 HydrophobicContact CD1-CB 4.45Å; L79-L115 HydrophobicContact CD1-CD1 4.27Å; L79-L115 HydrophobicContact CD2-CD1 3.57Å; L79-V118 HydrophobicContact CB-CG2 4.12Å; L79-V118 WeakPolarHBondContact O-CG2 3.39Å
80E90.9Very high89.1Confident30 Ų3032.3 Ų32.314%0.1417%0.17CC..Hα-helixtrans-68.5-38.2179.7-174.859.9-169.100111.9L76 F77 V78 R83 I84 M114L76-E80 PolarHBondContact O-N 3.22Å; L76-E80 VanDerWaalsContact O-N 3.09Å; F77-E80 PolarHBondContact O-N 3.38Å; V78-E80 PolarHBondContact O-N 2.64Å; E80-R83 WeakPolarHBondContact O-CB 3.38Å; E80-R83 PolarHBondContact O-N 2.79Å; E80-R83 IonicContact OE1-CZ 3.06Å; E80-R83 IonicContact OE1-NE 2.81Å; E80-R83 PolarHBondContact OE1-NE 2.65Å; E80-R83 VanDerWaalsContact OE1-NE 3.12Å; E80-R83 IonicContact OE1-NH2 3.09Å; E80-R83 PolarHBondContact OE1-NH2 3.49Å; E80-R83 IonicContact OE2-NE 3.55Å; E80-R83 PolarHBondContact OE2-NE 3.18Å; E80-R83 VanDerWaalsContact OE2-NE 3.08Å; E80-I84 HydrophobicContact CG-CD1 4.34Å; E80-I84 WeakPolarHBondContact O-CG1 3.42Å; E80-I84 PolarHBondContact O-N 3.03Å; E80-M114 HydrophobicContact CB-CE 3.98Å
81F90.3Very high89.1Confident3 Ų332.5 Ų32.51%0.01316%0.161CC..Hα-helixtrans-62.6-44.2174.3-179.7-90.4000111.4V48 F56 F59 F60 V63 F77 V78 R83 I84 G85V48-F81 HydrophobicContact CB-CD2 4.28Å; V48-F81 HydrophobicContact CB-CE2 4.23Å; V48-F81 HydrophobicContact CG1-CD2 3.63Å; V48-F81 HydrophobicContact CG1-CE2 3.53Å; V48-F81 HydrophobicContact CG2-CD2 3.75Å; V48-F81 HydrophobicContact CG2-CE2 3.57Å; F56-F81 HydrophobicContact CD2-CE2 4.35Å; F56-F81 HydrophobicContact CD2-CZ 4.23Å; F56-F81 HydrophobicContact CE2-CD2 4.5Å; F56-F81 HydrophobicContact CE2-CE1 4.33Å; F56-F81 AromaticContact CE2-CE2 3.64Å; F56-F81 HydrophobicContact CE2-CE2 3.64Å; F56-F81 AromaticContact CE2-CZ 3.54Å; F56-F81 HydrophobicContact CE2-CZ 3.54Å; F56-F81 HydrophobicContact CZ-CE1 4.18Å; F56-F81 HydrophobicContact CZ-CE2 4.28Å; F56-F81 AromaticContact CZ-CZ 3.81Å; F56-F81 HydrophobicContact CZ-CZ 3.81Å; F59-F81 AromaticContact CD1-CE2 3.85Å; F59-F81 HydrophobicContact CD1-CE2 3.85Å; F59-F81 AromaticContact CD1-CZ 3.85Å; F59-F81 HydrophobicContact CD1-CZ 3.85Å; F59-F81 HydrophobicContact CE1-CE2 4.19Å; F60-F81 HydrophobicContact CB-CE1 4.31Å; F60-F81 HydrophobicContact CD2-CD1 4.26Å; F60-F81 AromaticContact CD2-CE1 3.46Å; F60-F81 HydrophobicContact CD2-CE1 3.46Å; F60-F81 VanDerWaalsContact CD2-CE1 3.46Å; F60-F81 HydrophobicContact CD2-CZ 4.18Å; F60-F81 HydrophobicContact CE2-CD1 4.5Å; F60-F81 HydrophobicContact CE2-CE1 4.11Å; F60-F81 HydrophobicContact CG-CE1 4.18Å; V63-F81 HydrophobicContact CB-CD1 3.79Å; V63-F81 HydrophobicContact CB-CE1 3.77Å; V63-F81 HydrophobicContact CB-CG 4.36Å; V63-F81 HydrophobicContact CB-CZ 4.35Å; V63-F81 HydrophobicContact CG1-CB 4.1Å; V63-F81 HydrophobicContact CG1-CD1 3.51Å; V63-F81 HydrophobicContact CG1-CD2 4.5Å; V63-F81 HydrophobicContact CG1-CE1 4.05Å; V63-F81 HydrophobicContact CG1-CG 3.78Å; V63-F81 HydrophobicContact CG2-CD1 4.25Å; V63-F81 HydrophobicContact CG2-CE1 4.03Å; V63-F81 HydrophobicContact CG2-CE2 4.33Å; V63-F81 HydrophobicContact CG2-CZ 4.08Å; F77-F81 HydrophobicContact CE1-CB 4.46Å; F77-F81 HydrophobicContact CZ-CD2 4.28Å; F77-F81 WeakPolarHBondContact O-CB 3.4Å; F77-F81 PolarHBondContact O-N 2.94Å; V78-F81 PolarHBondContact O-N 3.09Å; F81-R83 VanDerWaalsContact C-N 3.33Å; F81-R83 PolarHBondContact O-N 3.14Å; F81-I84 PolarHBondContact O-N 3.49Å; F81-G85 PolarHBondContact O-N 3.11Å
82L92.1Very high89.3Confident0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-59.7-42.4173.2-75.3-179.9000111.9F60 M64 V78 L79 G85 C86 C99 L100F60-L82 HydrophobicContact CE1-CD2 4.2Å; F60-L82 HydrophobicContact CE2-CD2 3.72Å; F60-L82 HydrophobicContact CZ-CD2 3.38Å; M64-L82 HydrophobicContact CG-CD2 3.58Å; M64-L82 HydrophobicContact SD-CD2 4.08Å; V78-L82 HydrophobicContact CG1-CD1 4.15Å; V78-L82 HydrophobicContact CG1-CG 4.38Å; V78-L82 WeakPolarHBondContact O-CB 3.25Å; V78-L82 VanDerWaalsContact O-CG 3.25Å; V78-L82 WeakPolarHBondContact O-CG 3.45Å; V78-L82 PolarHBondContact O-N 3.35Å; L79-L82 PolarHBondContact O-N 3.3Å; L82-G85 PolarHBondContact O-N 2.91Å; L82-C86 WeakPolarHBondContact O-CB 3.39Å; L82-C86 PolarHBondContact O-N 3.4Å; L82-C86 PolarHBondContact O-SG 2.99Å; L82-C86 VanDerWaalsContact O-SG 3.34Å; L82-C99 HydrophobicContact CD1-CB 4.16Å; L82-L100 HydrophobicContact CD1-CD2 4.17Å; L82-L100 HydrophobicContact CD1-CG 4.49Å
83R93.7Very high89.4Confident48 Ų4828.9 Ų28.918%0.18114%0.141CC..Hα-helixtrans-58.1-52.4175.9-169.7-167.665.372.73.8111.3L79 E80 F81 G85 C86 V87 V118 E121L79-R83 PolarHBondContact O-N 3.45Å; E80-R83 WeakPolarHBondContact O-CB 3.38Å; E80-R83 PolarHBondContact O-N 2.79Å; E80-R83 IonicContact OE1-CZ 3.06Å; E80-R83 IonicContact OE1-NE 2.81Å; E80-R83 PolarHBondContact OE1-NE 2.65Å; E80-R83 VanDerWaalsContact OE1-NE 3.12Å; E80-R83 IonicContact OE1-NH2 3.09Å; E80-R83 PolarHBondContact OE1-NH2 3.49Å; E80-R83 IonicContact OE2-NE 3.55Å; E80-R83 PolarHBondContact OE2-NE 3.18Å; E80-R83 VanDerWaalsContact OE2-NE 3.08Å; F81-R83 VanDerWaalsContact C-N 3.33Å; F81-R83 PolarHBondContact O-N 3.14Å; R83-G85 VanDerWaalsContact C-N 3.32Å; R83-G85 PolarHBondContact O-N 3.35Å; R83-C86 PolarHBondContact O-N 3.39Å; R83-V87 WeakPolarHBondContact O-CB 3.33Å; R83-V87 VanDerWaalsContact O-CG2 3.24Å; R83-V87 WeakPolarHBondContact O-CG2 3.43Å; R83-V87 PolarHBondContact O-N 3.09Å; R83-V118 HydrophobicContact CB-CB 4.39Å; R83-V118 HydrophobicContact CB-CG1 3.97Å; R83-V118 HydrophobicContact CB-CG2 3.91Å; R83-V118 HydrophobicContact CG-CG1 4.31Å; R83-V118 HydrophobicContact CG-CG2 4.33Å; R83-E121 WeakPolarHBondContact CD-OE2 3.21Å; R83-E121 IonicContact CZ-OE2 2.66Å; R83-E121 IonicContact NE-OE2 3.3Å; R83-E121 IonicContact NH1-OE1 3.65Å; R83-E121 IonicContact NH1-OE2 3.12Å; R83-E121 PolarHBondContact NH1-OE2 2.97Å
84I89.3Confident89.5Confident26 Ų2629.4 Ų29.413%0.13314%0.143CC..Hα-helixtrans-58.7-46.6179.6-66165.6000110.2V48 T49 E80 F81 R88V48-I84 HydrophobicContact CG1-CG2 4.33Å; T49-I84 HydrophobicContact CG2-CD1 4.27Å; E80-I84 HydrophobicContact CG-CD1 4.34Å; E80-I84 WeakPolarHBondContact O-CG1 3.42Å; E80-I84 PolarHBondContact O-N 3.03Å; F81-I84 PolarHBondContact O-N 3.49Å; I84-R88 WeakPolarHBondContact O-CB 3.38Å; I84-R88 PolarHBondContact O-N 2.89Å
85G88.2Confident89.6Confident0 Ų032.8 Ų32.80%016%0.164CC..Hα-helixtrans-61.3-49.9179.800000113.6F81 L82 R83 R88 H89F81-G85 PolarHBondContact O-N 3.11Å; L82-G85 PolarHBondContact O-N 2.91Å; R83-G85 VanDerWaalsContact C-N 3.32Å; R83-G85 PolarHBondContact O-N 3.35Å; G85-R88 PolarHBondContact O-N 3.49Å; G85-H89 PolarHBondContact O-N 3.37Å
86C89.9Confident89.6Confident0 Ų031.2 Ų31.20%016%0.158CC..Hα-helixtrans-71-32.3-177.5-68.30000112.8L82 R83 H89 P90 L93 S96 L122 L125L82-C86 WeakPolarHBondContact O-CB 3.39Å; L82-C86 PolarHBondContact O-N 3.4Å; L82-C86 PolarHBondContact O-SG 2.99Å; L82-C86 VanDerWaalsContact O-SG 3.34Å; R83-C86 PolarHBondContact O-N 3.39Å; C86-H89 CarbonylContact O-C 3.51Å; C86-P90 WeakPolarHBondContact O-CA 3.47Å; C86-L93 HydrophobicContact CB-CD2 3.8Å; C86-L93 HydrophobicContact CB-CG 4.11Å; C86-S96 PolarHBondContact SG-OG 2.65Å; C86-L122 HydrophobicContact CB-CD1 4.13Å; C86-L122 HydrophobicContact CB-CD2 3.48Å; C86-L122 VanDerWaalsContact CB-CD2 3.48Å; C86-L122 HydrophobicContact CB-CG 4.45Å; C86-L125 VanDerWaalsContact O-CD2 3.25Å; C86-L125 WeakPolarHBondContact O-CD2 3.36Å
87V89.7Confident89.6Confident69 Ų6929.1 Ų29.142%0.41815%0.147SC..Hα-helixtrans-68-39.2173.7171.30000111.3R83 E121 L122 L125R83-V87 WeakPolarHBondContact O-CB 3.33Å; R83-V87 VanDerWaalsContact O-CG2 3.24Å; R83-V87 WeakPolarHBondContact O-CG2 3.43Å; R83-V87 PolarHBondContact O-N 3.09Å; V87-E121 HydrophobicContact CG2-CB 4.33Å; V87-L122 HydrophobicContact CG2-CD2 4.08Å; V87-L125 HydrophobicContact CG2-CD2 4.43Å
88R87.1Confident89.7Confident98 Ų9831.7 Ų31.737%0.3717%0.165SC..Hα-helixtrans-72.9-44177.2-171.9179.1175.7162.5-2.7112M51 D53 I84 G85M51-R88 VanDerWaalsContact O-CZ 3.27Å; M51-R88 PolarHBondContact O-NH1 3.13Å; M51-R88 PolarHBondContact O-NH2 3.5Å; D53-R88 IonicContact OD1-CZ 3.17Å; D53-R88 IonicContact OD1-NE 3.27Å; D53-R88 PolarHBondContact OD1-NE 3.26Å; D53-R88 IonicContact OD1-NH2 3.85Å; D53-R88 PolarHBondContact OD1-NH2 3.18Å; I84-R88 WeakPolarHBondContact O-CB 3.38Å; I84-R88 PolarHBondContact O-N 2.89Å; G85-R88 PolarHBondContact O-N 3.49Å
89H86.8Confident89.8Confident21 Ų2131.9 Ų31.910%0.09717%0.167CC..  trans-129.886.8-174.1-64.5-63.2000110.5D53 F57 G85 C86 Q91 L92D53-H89 VanDerWaalsContact CG-NE2 3.33Å; D53-H89 IonicContact OD1-CE1 3.36Å; D53-H89 PolarHBondContact OD1-CE1 3.45Å; D53-H89 VanDerWaalsContact OD1-CE1 3.22Å; D53-H89 IonicContact OD1-NE2 3.06Å; D53-H89 PolarHBondContact OD1-NE2 2.98Å; D53-H89 IonicContact OD2-CE1 3.4Å; D53-H89 PolarHBondContact OD2-CE1 3.14Å; D53-H89 IonicContact OD2-NE2 3.67Å; F57-H89 HydrophobicContact CE1-CB 4.17Å; F57-H89 HydrophobicContact CZ-CB 4.14Å; F57-H89 AromaticContact CZ-CD2 3.78Å; F57-H89 AromaticContact CZ-CE1 3.91Å; F57-H89 AromaticContact CZ-CG 3.62Å; F57-H89 AromaticContact CZ-ND1 3.72Å; F57-H89 AromaticContact CZ-NE2 3.95Å; G85-H89 PolarHBondContact O-N 3.37Å; C86-H89 CarbonylContact O-C 3.51Å; H89-Q91 PolarHBondContact O-N 3.26Å; H89-L92 HydrophobicContact CB-CD1 3.84Å; H89-L92 HydrophobicContact CB-CG 4.05Å; H89-L92 WeakPolarHBondContact O-CB 3.42Å; H89-L92 PolarHBondContact O-N 2.98Å
90P86.7Confident89.8Confident47 Ų4731.9 Ų31.931%0.30517%0.167SC..G310 helixtrans-56.5-25.1-174.3-28.435.9000115.2C86 L92 L93 L125C86-P90 WeakPolarHBondContact O-CA 3.47Å; P90-L92 PolarHBondContact O-N 2.79Å; P90-L93 VanDerWaalsContact O-CB 3.26Å; P90-L93 WeakPolarHBondContact O-CB 3.38Å; P90-L93 WeakPolarHBondContact O-CD1 3.43Å; P90-L93 VanDerWaalsContact O-CG 3.29Å; P90-L93 WeakPolarHBondContact O-CG 3.46Å; P90-L93 PolarHBondContact O-N 2.96Å; P90-L93 VanDerWaalsContact O-N 3.08Å; P90-L125 HydrophobicContact CG-CD1 4.49Å
91Q84.1Confident89.9Confident118 Ų11830.7 Ų30.755%0.55116%0.162SC*.G310 helixtrans-58.6-25.2174.257.7-118.59.600114H89 L93 V94H89-Q91 PolarHBondContact O-N 3.26Å; Q91-L93 PolarHBondContact O-N 3.35Å; Q91-V94 PolarHBondContact O-N 2.88Å
92L88.6Confident90Very high15 Ų1534.4 Ų34.48%0.07918%0.179CC..G310 helixtrans-72-10.1177.9-62.8178.4000113.3F56 F57 F60 H89 P90 V94 V95 S96F56-L92 HydrophobicContact CD1-CD1 4.41Å; F56-L92 HydrophobicContact CE1-CD1 3.71Å; F57-L92 HydrophobicContact CD1-CD1 4.27Å; F57-L92 HydrophobicContact CD1-CD2 3.98Å; F57-L92 HydrophobicContact CE1-CD1 3.93Å; F57-L92 HydrophobicContact CE1-CD2 3.88Å; F57-L92 HydrophobicContact CE1-CG 4.04Å; F60-L92 HydrophobicContact CD1-CD1 4.39Å; F60-L92 HydrophobicContact CD1-CD2 4.02Å; F60-L92 HydrophobicContact CD2-CD1 3.82Å; F60-L92 HydrophobicContact CE1-CB 4.1Å; F60-L92 HydrophobicContact CE1-CD1 4.28Å; F60-L92 HydrophobicContact CE1-CD2 3.95Å; F60-L92 HydrophobicContact CE1-CG 4.35Å; F60-L92 HydrophobicContact CE2-CB 4.34Å; F60-L92 HydrophobicContact CE2-CD1 3.73Å; F60-L92 HydrophobicContact CG-CD1 4.17Å; F60-L92 HydrophobicContact CG-CD2 4.49Å; F60-L92 HydrophobicContact CZ-CB 3.8Å; F60-L92 HydrophobicContact CZ-CD1 3.97Å; F60-L92 HydrophobicContact CZ-CD2 4.38Å; F60-L92 HydrophobicContact CZ-CG 4.28Å; H89-L92 HydrophobicContact CB-CD1 3.84Å; H89-L92 HydrophobicContact CB-CG 4.05Å; H89-L92 WeakPolarHBondContact O-CB 3.42Å; H89-L92 PolarHBondContact O-N 2.98Å; P90-L92 PolarHBondContact O-N 2.79Å; L92-V94 PolarHBondContact O-N 3.23Å; L92-V95 PolarHBondContact O-N 2.92Å; L92-S96 WeakPolarHBondContact O-CB 3.25Å; L92-S96 PolarHBondContact O-N 3.02Å; L92-S96 PolarHBondContact O-OG 3.23Å
93L89.2Confident90Very high1 Ų134.5 Ų34.51%0.00518%0.18CC..Hα-helixtrans-56.5-38.6173-75.2169.9000111.8C86 P90 Q91 V95 S96 A97 L122 L125 C126 M141 T144C86-L93 HydrophobicContact CB-CD2 3.8Å; C86-L93 HydrophobicContact CB-CG 4.11Å; P90-L93 VanDerWaalsContact O-CB 3.26Å; P90-L93 WeakPolarHBondContact O-CB 3.38Å; P90-L93 WeakPolarHBondContact O-CD1 3.43Å; P90-L93 VanDerWaalsContact O-CG 3.29Å; P90-L93 WeakPolarHBondContact O-CG 3.46Å; P90-L93 PolarHBondContact O-N 2.96Å; P90-L93 VanDerWaalsContact O-N 3.08Å; Q91-L93 PolarHBondContact O-N 3.35Å; L93-V95 VanDerWaalsContact C-N 3.3Å; L93-V95 PolarHBondContact O-N 2.92Å; L93-S96 VanDerWaalsContact CA-OG 3.32Å; L93-S96 WeakPolarHBondContact CA-OG 3.3Å; L93-S96 PolarHBondContact O-N 3.43Å; L93-S96 PolarHBondContact O-OG 3.01Å; L93-A97 WeakPolarHBondContact O-CB 3.39Å; L93-A97 PolarHBondContact O-N 3.37Å; L93-L122 HydrophobicContact CD2-CB 4.09Å; L93-L122 HydrophobicContact CD2-CD1 4.31Å; L93-L122 HydrophobicContact CD2-CD2 4.24Å; L93-L122 HydrophobicContact CD2-CG 4.44Å; L93-L125 HydrophobicContact CD1-CD2 4.31Å; L93-L125 HydrophobicContact CD1-CG 4.25Å; L93-C126 HydrophobicContact CD1-CB 4.09Å; L93-M141 HydrophobicContact CD1-CE 4.33Å; L93-T144 HydrophobicContact CB-CG2 4.11Å; L93-T144 WeakPolarHBondContact O-CG2 3.45Å
94V88.3Confident89.9Confident45 Ų4532.4 Ų32.427%0.27317%0.173SC..Hα-helixtrans-62.6-39.3-177.9-177.60000111.6Q91 L92 M141 T144Q91-V94 PolarHBondContact O-N 2.88Å; L92-V94 PolarHBondContact O-N 3.23Å; V94-M141 HydrophobicContact CG2-CG 4.16Å; V94-T144 WeakPolarHBondContact CA-OG1 3.35Å
95V88.8Confident89.9Confident74 Ų7438.6 Ų38.645%0.44820%0.195SC..Hα-helixtrans-84.7-30.3-177.8-161.70000111.7M64 L92 L93 P98M64-V95 HydrophobicContact CE-CB 4.23Å; M64-V95 HydrophobicContact CE-CG1 3.44Å; M64-V95 VanDerWaalsContact CE-CG1 3.44Å; M64-V95 HydrophobicContact SD-CB 4.36Å; M64-V95 HydrophobicContact SD-CG1 3.92Å; L92-V95 PolarHBondContact O-N 2.92Å; L93-V95 VanDerWaalsContact C-N 3.3Å; L93-V95 PolarHBondContact O-N 2.92Å; V95-P98 WeakPolarHBondContact O-CD 3.43Å
96S91.3Very high89.7Confident0 Ų040.5 Ų40.50%021%0.206CC..Hα-helixtrans-82.3-27.1-178.859.20000114.4C86 L92 L93 C99 L100C86-S96 PolarHBondContact SG-OG 2.65Å; L92-S96 WeakPolarHBondContact O-CB 3.25Å; L92-S96 PolarHBondContact O-N 3.02Å; L92-S96 PolarHBondContact O-OG 3.23Å; L93-S96 VanDerWaalsContact CA-OG 3.32Å; L93-S96 WeakPolarHBondContact CA-OG 3.3Å; L93-S96 PolarHBondContact O-N 3.43Å; L93-S96 PolarHBondContact O-OG 3.01Å; S96-C99 WeakPolarHBondContact O-CA 3.27Å; S96-C99 WeakPolarHBondContact O-CB 3.3Å; S96-C99 PolarHBondContact O-N 3.46Å; S96-L100 WeakPolarHBondContact O-CG 3.49Å; S96-L100 PolarHBondContact O-N 3.08Å
97A92Very high89.3Confident1 Ų147.3 Ų47.31%0.00824%0.242CC..Hα-helixtrans-57.3-41.3-177.100000114.8L93 C99 L100 A101 T144 L147 L148L93-A97 WeakPolarHBondContact O-CB 3.39Å; L93-A97 PolarHBondContact O-N 3.37Å; A97-C99 VanDerWaalsContact C-N 3.29Å; A97-C99 PolarHBondContact O-N 3Å; A97-L100 PolarHBondContact O-N 3.27Å; A97-A101 WeakPolarHBondContact O-CB 3.42Å; A97-A101 PolarHBondContact O-N 3.17Å; A97-T144 HydrophobicContact CB-CG2 3.6Å; A97-L147 HydrophobicContact CB-CB 4.15Å; A97-L147 HydrophobicContact CB-CD1 4.15Å; A97-L148 HydrophobicContact CB-CD2 4.16Å; A97-L148 HydrophobicContact CB-CG 4.31Å
98P92Very high89.2Confident69 Ų6944.7 Ų44.745%0.44823%0.227SC..Hα-helixtrans-59.2-39.1172.5-24.234000113.1V95 A101 Q102 L147V95-P98 WeakPolarHBondContact O-CD 3.43Å; P98-A101 PolarHBondContact O-N 2.98Å; P98-Q102 WeakPolarHBondContact O-CB 3.38Å; P98-Q102 PolarHBondContact O-N 3.25Å; P98-L147 HydrophobicContact CB-CD1 4.5Å; P98-L147 HydrophobicContact CG-CD1 3.97Å
99C92.4Very high89.2Confident4 Ų444.2 Ų44.23%0.02724%0.237CC..Hα-helixtrans-65.5-44.9177.2179.40000111.5Q67 L82 S96 A97 A101 Q102 M103Q67-C99 VanDerWaalsContact CB-SG 3.57Å; Q67-C99 VanDerWaalsContact OE1-CB 3.31Å; Q67-C99 PolarHBondContact OE1-SG 3.45Å; L82-C99 HydrophobicContact CD1-CB 4.16Å; S96-C99 WeakPolarHBondContact O-CA 3.27Å; S96-C99 WeakPolarHBondContact O-CB 3.3Å; S96-C99 PolarHBondContact O-N 3.46Å; A97-C99 VanDerWaalsContact C-N 3.29Å; A97-C99 PolarHBondContact O-N 3Å; C99-A101 PolarHBondContact O-N 3.17Å; C99-Q102 PolarHBondContact O-N 3.17Å; C99-M103 WeakPolarHBondContact O-CB 3.13Å; C99-M103 VanDerWaalsContact O-CG 3.29Å; C99-M103 WeakPolarHBondContact O-CG 3.45Å; C99-M103 PolarHBondContact O-N 2.97Å
100L94.9Very high89.3Confident0 Ų045 Ų450%025%0.247CC..Hα-helixtrans-62-44.1176.7-63.9170.6000111.5L79 L82 S96 A97 Q102 M103 A104 L115 V118 L122 L148L79-L100 HydrophobicContact CD2-CD2 3.6Å; L82-L100 HydrophobicContact CD1-CD2 4.17Å; L82-L100 HydrophobicContact CD1-CG 4.49Å; S96-L100 WeakPolarHBondContact O-CG 3.49Å; S96-L100 PolarHBondContact O-N 3.08Å; A97-L100 PolarHBondContact O-N 3.27Å; L100-Q102 PolarHBondContact O-N 3.17Å; L100-M103 PolarHBondContact O-N 3.06Å; L100-A104 WeakPolarHBondContact O-CB 3.23Å; L100-A104 PolarHBondContact O-N 3.24Å; L100-L115 HydrophobicContact CB-CD1 4.47Å; L100-L115 HydrophobicContact CD2-CD1 3.82Å; L100-V118 HydrophobicContact CD2-CG1 4.13Å; L100-L122 HydrophobicContact CD1-CD1 3.76Å; L100-L148 HydrophobicContact CB-CD2 4.47Å; L100-L148 HydrophobicContact CD1-CD2 3.77Å
101A93.4Very high89.6Confident6 Ų642.7 Ų42.75%0.0523%0.232CC..Hα-helixtrans-61.6-40.9176.300000112.6A97 P98 C99 A104 L147 V151A97-A101 WeakPolarHBondContact O-CB 3.42Å; A97-A101 PolarHBondContact O-N 3.17Å; P98-A101 PolarHBondContact O-N 2.98Å; C99-A101 PolarHBondContact O-N 3.17Å; A101-A104 WeakPolarHBondContact O-CB 3.32Å; A101-L147 HydrophobicContact CB-CB 4.37Å; A101-L147 HydrophobicContact CB-CD2 4.02Å; A101-V151 HydrophobicContact CB-CG2 4.11Å
102Q90.9Very high89.9Confident80 Ų8039.4 Ų39.437%0.37422%0.216SC..Hα-helixtrans-67.9-43.4176.9-172.267.24.500111.8P98 C99 L100 A104 R105P98-Q102 WeakPolarHBondContact O-CB 3.38Å; P98-Q102 PolarHBondContact O-N 3.25Å; C99-Q102 PolarHBondContact O-N 3.17Å; L100-Q102 PolarHBondContact O-N 3.17Å; Q102-A104 VanDerWaalsContact C-N 3.3Å; Q102-A104 PolarHBondContact O-N 3.48Å; Q102-R105 PolarHBondContact O-N 3.25Å
103M92.3Very high90.1Very high3 Ų340.5 Ų40.52%0.01522%0.222CC..Hα-helixtrans-67.1-31.8178.7-68.5-173.273.500112.3R75 V78 L79 C99 L100 R105 T106 V111R75-M103 HydrophobicContact CB-CE 3.6Å; R75-M103 HydrophobicContact CG-CE 4.04Å; R75-M103 WeakPolarHBondContact O-CE 3.45Å; V78-M103 HydrophobicContact CG1-SD 4.44Å; L79-M103 HydrophobicContact CD1-CE 3.8Å; L79-M103 HydrophobicContact CD2-CB 4.46Å; L79-M103 HydrophobicContact CD2-CE 3.91Å; L79-M103 HydrophobicContact CD2-SD 3.55Å; L79-M103 VanDerWaalsContact CD2-SD 3.55Å; L79-M103 HydrophobicContact CG-CE 3.51Å; L79-M103 HydrophobicContact CG-SD 3.8Å; C99-M103 WeakPolarHBondContact O-CB 3.13Å; C99-M103 VanDerWaalsContact O-CG 3.29Å; C99-M103 WeakPolarHBondContact O-CG 3.45Å; C99-M103 PolarHBondContact O-N 2.97Å; L100-M103 PolarHBondContact O-N 3.06Å; M103-R105 PolarHBondContact O-N 3.4Å; M103-T106 WeakPolarHBondContact O-CB 3.49Å; M103-T106 PolarHBondContact O-N 3.49Å; M103-T106 VanDerWaalsContact O-N 3.09Å; M103-T106 PolarHBondContact O-OG1 3.05Å; M103-V111 HydrophobicContact CB-CG1 4.36Å; M103-V111 HydrophobicContact CE-CG1 3.95Å
104A91.7Very high90.4Very high3 Ų342.3 Ų42.33%0.02523%0.23CC..Hα-helixtrans-59-33174.100000113.3L100 A101 Q102 T106 L115 V151 V154L100-A104 WeakPolarHBondContact O-CB 3.23Å; L100-A104 PolarHBondContact O-N 3.24Å; A101-A104 WeakPolarHBondContact O-CB 3.32Å; Q102-A104 VanDerWaalsContact C-N 3.3Å; Q102-A104 PolarHBondContact O-N 3.48Å; A104-T106 PolarHBondContact O-N 3.03Å; A104-L115 HydrophobicContact CB-CD2 3.52Å; A104-V151 HydrophobicContact CB-CB 4.45Å; A104-V151 HydrophobicContact CB-CG1 4.1Å; A104-V151 HydrophobicContact CB-CG2 3.98Å; A104-V154 HydrophobicContact CB-CB 4.49Å; A104-V154 HydrophobicContact CB-CG1 4.2Å; A104-V154 WeakPolarHBondContact O-CG1 2.9Å
105R89.4Confident90.7Very high157 Ų15740.1 Ų40.159%0.59222%0.217SC*.THydrogen-bonded Turntrans-74.1-4.2178.5-64172.3-175.5165.4-0.6113.5Q102 M103 E150Q102-R105 PolarHBondContact O-N 3.25Å; M103-R105 PolarHBondContact O-N 3.4Å; R105-E150 IonicContact NH2-OE2 3.38Å
106T84.7Confident91Very high40 Ų4036.6 Ų36.625%0.24520%0.196CC..SBendtrans-85.1140.9-179.1-36.20000111.4M103 A104 S108 K112M103-T106 WeakPolarHBondContact O-CB 3.49Å; M103-T106 PolarHBondContact O-N 3.49Å; M103-T106 VanDerWaalsContact O-N 3.09Å; M103-T106 PolarHBondContact O-OG1 3.05Å; A104-T106 PolarHBondContact O-N 3.03Å; T106-S108 PolarHBondContact O-N 3.46Å; T106-K112 VanDerWaalsContact O-CE 3.22Å; T106-K112 WeakPolarHBondContact O-CE 3.3Å
107D80.9Confident91.1Very high142 Ų14239.8 Ų39.876%0.75921%0.213SC*.  trans-78.88.1-179.2-69.9-38.3000115.7P109D107-P109 WeakPolarHBondContact O-CD 3.38Å
108S88.2Confident91.3Very high15 Ų1539.8 Ų39.811%0.10521%0.212CC..  trans-77.7121.5-179.2179.20000111.8T106 A110 V111 K112T106-S108 PolarHBondContact O-N 3.46Å; S108-A110 VanDerWaalsContact C-N 3.33Å; S108-A110 PolarHBondContact O-N 3.12Å; S108-V111 PolarHBondContact O-N 2.88Å; S108-K112 PolarHBondContact O-N 3.5Å
109P86.6Confident91.5Very high87 Ų8736.5 Ų36.557%0.56519%0.191SC*.Hα-helixtrans-65.2-35.5179.625-33.1000112.3D107 V111 K112 I113D107-P109 WeakPolarHBondContact O-CD 3.38Å; P109-V111 VanDerWaalsContact C-N 3.34Å; P109-V111 PolarHBondContact O-N 3.41Å; P109-K112 PolarHBondContact O-N 3.39Å; P109-I113 WeakPolarHBondContact O-CG1 3.44Å; P109-I113 PolarHBondContact O-N 2.94Å
110A89.4Confident91.6Very high37 Ų3736.6 Ų36.631%0.30619%0.192SC..Hα-helixtrans-63.3-41.6176.700000111.7I72 L76 S108 I113 M114I72-A110 HydrophobicContact CG2-CB 4.1Å; L76-A110 HydrophobicContact CD1-CB 4.43Å; L76-A110 HydrophobicContact CD2-CB 4.31Å; L76-A110 WeakPolarHBondContact CD2-O 3.48Å; S108-A110 VanDerWaalsContact C-N 3.33Å; S108-A110 PolarHBondContact O-N 3.12Å; A110-I113 PolarHBondContact O-N 3.21Å; A110-M114 PolarHBondContact O-N 2.67Å
111V91.9Very high91.6Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-65.3-43.3175.8177.70000110.4I72 R75 L76 L79 M103 S108 P109 I113 M114 L115I72-V111 HydrophobicContact CG2-CG2 4.49Å; R75-V111 HydrophobicContact CB-CG2 4.45Å; L76-V111 HydrophobicContact CD2-CG2 4.04Å; L79-V111 HydrophobicContact CD1-CG1 3.96Å; M103-V111 HydrophobicContact CB-CG1 4.36Å; M103-V111 HydrophobicContact CE-CG1 3.95Å; S108-V111 PolarHBondContact O-N 2.88Å; P109-V111 VanDerWaalsContact C-N 3.34Å; P109-V111 PolarHBondContact O-N 3.41Å; V111-I113 PolarHBondContact O-N 3.3Å; V111-M114 PolarHBondContact O-N 2.9Å; V111-L115 WeakPolarHBondContact O-CB 3.32Å; V111-L115 PolarHBondContact O-N 3.18Å
112K92.1Very high91.6Very high48 Ų4839.8 Ų39.821%0.20921%0.206CC..Hα-helixtrans-61.8-41176.4-71.4-176.5-178.3179.50112.7T106 S108 P109 L115 L116 L158T106-K112 VanDerWaalsContact O-CE 3.22Å; T106-K112 WeakPolarHBondContact O-CE 3.3Å; S108-K112 PolarHBondContact O-N 3.5Å; P109-K112 PolarHBondContact O-N 3.39Å; K112-L115 PolarHBondContact O-N 3.37Å; K112-L116 WeakPolarHBondContact O-CG 3.42Å; K112-L116 PolarHBondContact O-N 3.41Å; K112-L158 HydrophobicContact CB-CD1 3.94Å; K112-L158 HydrophobicContact CD-CD1 4.27Å; K112-L158 HydrophobicContact CD-CD2 4.29Å; K112-L158 HydrophobicContact CG-CD1 4.5Å
113I92.7Very high91.8Very high39 Ų3936.2 Ų36.220%0.219%0.189CC..Hα-helixtrans-62.9-46.8175.3-71.1167.2000111.2P109 A110 V111 L115 L116 L117 A166P109-I113 WeakPolarHBondContact O-CG1 3.44Å; P109-I113 PolarHBondContact O-N 2.94Å; A110-I113 PolarHBondContact O-N 3.21Å; V111-I113 PolarHBondContact O-N 3.3Å; I113-L115 VanDerWaalsContact C-N 3.31Å; I113-L115 PolarHBondContact O-N 3Å; I113-L116 WeakPolarHBondContact O-CB 3.4Å; I113-L116 PolarHBondContact O-N 3.31Å; I113-L117 PolarHBondContact O-N 2.83Å; I113-A166 HydrophobicContact CD1-CB 4.32Å; I113-A166 HydrophobicContact CG1-CB 3.9Å
114M94.2Very high91.8Very high38 Ų3836.5 Ų36.519%0.18719%0.191CC..Hα-helixtrans-64.3-38.5175.4-80.9-57.7-70.100111.7L76 L79 E80 A110 V111 L116 L117 V118L76-M114 HydrophobicContact CB-CG 4.34Å; L76-M114 HydrophobicContact CD2-CB 3.95Å; L76-M114 HydrophobicContact CD2-CG 3.65Å; L76-M114 HydrophobicContact CG-CG 4.37Å; L79-M114 HydrophobicContact CD1-CB 3.84Å; E80-M114 HydrophobicContact CB-CE 3.98Å; A110-M114 PolarHBondContact O-N 2.67Å; V111-M114 PolarHBondContact O-N 2.9Å; M114-L116 VanDerWaalsContact C-N 3.3Å; M114-L116 PolarHBondContact O-N 3.09Å; M114-L117 WeakPolarHBondContact O-CB 3.49Å; M114-L117 PolarHBondContact O-N 3.41Å; M114-L117 VanDerWaalsContact O-N 3.11Å; M114-L117 HydrophobicContact SD-CD1 3.77Å; M114-V118 WeakPolarHBondContact O-CG2 3.1Å; M114-V118 PolarHBondContact O-N 2.97Å
115L95.1Very high91.7Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-61.8-38.3177-158.971.4000111.7L79 L100 A104 V111 K112 I113 L117 V118 M119 V151 L155L79-L115 HydrophobicContact CD1-CB 4.45Å; L79-L115 HydrophobicContact CD1-CD1 4.27Å; L79-L115 HydrophobicContact CD2-CD1 3.57Å; L100-L115 HydrophobicContact CB-CD1 4.47Å; L100-L115 HydrophobicContact CD2-CD1 3.82Å; A104-L115 HydrophobicContact CB-CD2 3.52Å; V111-L115 WeakPolarHBondContact O-CB 3.32Å; V111-L115 PolarHBondContact O-N 3.18Å; K112-L115 PolarHBondContact O-N 3.37Å; I113-L115 VanDerWaalsContact C-N 3.31Å; I113-L115 PolarHBondContact O-N 3Å; L115-L117 PolarHBondContact O-N 2.8Å; L115-V118 PolarHBondContact O-N 3.45Å; L115-M119 HydrophobicContact CG-CG 4.15Å; L115-M119 WeakPolarHBondContact O-CB 3.37Å; L115-M119 WeakPolarHBondContact O-CG 3.41Å; L115-M119 PolarHBondContact O-N 3.11Å; L115-V151 HydrophobicContact CD2-CG1 3.63Å; L115-V151 HydrophobicContact CG-CG1 4.12Å; L115-L155 HydrophobicContact CB-CD1 4.41Å; L115-L155 HydrophobicContact CB-CD2 4.43Å; L115-L155 HydrophobicContact CD2-CD1 4.08Å; L115-L155 HydrophobicContact CD2-CD2 4.1Å; L115-L155 HydrophobicContact CD2-CG 4.33Å; L115-L155 HydrophobicContact CG-CD1 4.09Å
116L95Very high91.7Very high0 Ų030.7 Ų30.70%017%0.171CC..Hα-helixtrans-59.1-44.1172.2-76.3166.1000112.2K112 I113 M114 S120 L155 L158 A166 H169 A170 F173K112-L116 WeakPolarHBondContact O-CG 3.42Å; K112-L116 PolarHBondContact O-N 3.41Å; I113-L116 WeakPolarHBondContact O-CB 3.4Å; I113-L116 PolarHBondContact O-N 3.31Å; M114-L116 VanDerWaalsContact C-N 3.3Å; M114-L116 PolarHBondContact O-N 3.09Å; L116-S120 VanDerWaalsContact O-CB 3.27Å; L116-S120 WeakPolarHBondContact O-CB 3.33Å; L116-S120 PolarHBondContact O-N 2.99Å; L116-S120 PolarHBondContact O-OG 3.35Å; L116-L155 HydrophobicContact CD2-CB 3.91Å; L116-L155 HydrophobicContact CD2-CD1 4.03Å; L116-L155 HydrophobicContact CD2-CD2 4.28Å; L116-L155 HydrophobicContact CD2-CG 4.3Å; L116-L155 HydrophobicContact CG-CD1 4.37Å; L116-L155 HydrophobicContact CG-CD2 4.17Å; L116-L158 HydrophobicContact CD1-CD1 3.91Å; L116-L158 HydrophobicContact CG-CD1 4.35Å; L116-A166 WeakPolarHBondContact CD1-O 3.49Å; L116-H169 HydrophobicContact CB-CB 4.07Å; L116-H169 HydrophobicContact CD1-CB 3.96Å; L116-A170 HydrophobicContact CD1-CB 4.12Å; L116-A170 HydrophobicContact CD2-CB 4.16Å; L116-F173 HydrophobicContact CD2-CB 3.89Å; L116-F173 HydrophobicContact CD2-CD1 3.82Å; L116-F173 HydrophobicContact CD2-CG 4.03Å
117L94.2Very high91.8Very high67 Ų6728.9 Ų28.935%0.35116%0.16SC..Hα-helixtrans-64.6-43.6177.7-71168.3000111.8I113 M114 L115 S120I113-L117 PolarHBondContact O-N 2.83Å; M114-L117 WeakPolarHBondContact O-CB 3.49Å; M114-L117 PolarHBondContact O-N 3.41Å; M114-L117 VanDerWaalsContact O-N 3.11Å; M114-L117 HydrophobicContact SD-CD1 3.77Å; L115-L117 PolarHBondContact O-N 2.8Å; L117-S120 WeakPolarHBondContact O-CB 3.39Å
118V95.3Very high92Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-67.5-48.9178.4174.30000111.1L79 R83 L100 M114 L115 S120 E121 L122L79-V118 HydrophobicContact CB-CG2 4.12Å; L79-V118 WeakPolarHBondContact O-CG2 3.39Å; R83-V118 HydrophobicContact CB-CB 4.39Å; R83-V118 HydrophobicContact CB-CG1 3.97Å; R83-V118 HydrophobicContact CB-CG2 3.91Å; R83-V118 HydrophobicContact CG-CG1 4.31Å; R83-V118 HydrophobicContact CG-CG2 4.33Å; L100-V118 HydrophobicContact CD2-CG1 4.13Å; M114-V118 WeakPolarHBondContact O-CG2 3.1Å; M114-V118 PolarHBondContact O-N 2.97Å; L115-V118 PolarHBondContact O-N 3.45Å; V118-S120 PolarHBondContact O-N 2.98Å; V118-E121 PolarHBondContact O-N 3.04Å; V118-L122 HydrophobicContact CG1-CD1 3.44Å; V118-L122 VanDerWaalsContact CG1-CD1 3.44Å; V118-L122 HydrophobicContact CG1-CG 3.83Å; V118-L122 WeakPolarHBondContact O-CG 3.47Å; V118-L122 PolarHBondContact O-N 2.63Å
119M96Very high91.6Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-64.1-29.1180-72.6-62.9-68.600112.7L115 E121 Y123 L148 V151 L155 F173L115-M119 HydrophobicContact CG-CG 4.15Å; L115-M119 WeakPolarHBondContact O-CB 3.37Å; L115-M119 WeakPolarHBondContact O-CG 3.41Å; L115-M119 PolarHBondContact O-N 3.11Å; M119-E121 PolarHBondContact O-N 2.84Å; M119-E121 VanDerWaalsContact O-N 3.15Å; M119-Y123 HydrophobicContact CE-CD2 4.25Å; M119-Y123 VanDerWaalsContact O-CB 3.28Å; M119-Y123 WeakPolarHBondContact O-CB 3.42Å; M119-Y123 PolarHBondContact O-N 3.14Å; M119-L148 HydrophobicContact CE-CB 4.07Å; M119-L148 HydrophobicContact CE-CD2 4.07Å; M119-L148 WeakPolarHBondContact CE-O 3.45Å; M119-L148 HydrophobicContact SD-CD2 3.87Å; M119-V151 HydrophobicContact CE-CB 3.86Å; M119-V151 HydrophobicContact CE-CG1 3.75Å; M119-V151 HydrophobicContact CG-CG1 3.74Å; M119-V151 HydrophobicContact SD-CB 4.32Å; M119-V151 HydrophobicContact SD-CG1 3.81Å; M119-L155 HydrophobicContact CB-CD1 4.15Å; M119-L155 HydrophobicContact CG-CD1 3.85Å; M119-F173 HydrophobicContact CB-CD2 3.99Å; M119-F173 HydrophobicContact CB-CE2 3.59Å; M119-F173 HydrophobicContact CB-CZ 4.17Å
120S94.9Very high91.1Very high7 Ų725.2 Ų25.25%0.04913%0.126CC..Hα-helixtrans-59.6-19.4171-68.30000113.4L116 L117 V118 F173 K176L116-S120 VanDerWaalsContact O-CB 3.27Å; L116-S120 WeakPolarHBondContact O-CB 3.33Å; L116-S120 PolarHBondContact O-N 2.99Å; L116-S120 PolarHBondContact O-OG 3.35Å; L117-S120 WeakPolarHBondContact O-CB 3.39Å; V118-S120 PolarHBondContact O-N 2.98Å; S120-F173 VanDerWaalsContact OG-CA 3.27Å; S120-F173 WeakPolarHBondContact OG-CA 3.48Å; S120-F173 WeakPolarHBondContact OG-CB 3.44Å; S120-K176 WeakPolarHBondContact O-CD 3.48Å; S120-K176 WeakPolarHBondContact O-CE 3.21Å; S120-K176 PolarHBondContact O-NZ 3.15Å
121E94.3Very high90.4Very high72 Ų7224.4 Ų24.434%0.33612%0.119SC..Hα-helixtrans-108.5-41.6175-65.9-174.7-177.400111.7R83 V87 V118 M119 L125R83-E121 WeakPolarHBondContact CD-OE2 3.21Å; R83-E121 IonicContact CZ-OE2 2.66Å; R83-E121 IonicContact NE-OE2 3.3Å; R83-E121 IonicContact NH1-OE1 3.65Å; R83-E121 IonicContact NH1-OE2 3.12Å; R83-E121 PolarHBondContact NH1-OE2 2.97Å; V87-E121 HydrophobicContact CG2-CB 4.33Å; V118-E121 PolarHBondContact O-N 3.04Å; M119-E121 PolarHBondContact O-N 2.84Å; M119-E121 VanDerWaalsContact O-N 3.15Å; E121-L125 VanDerWaalsContact O-CB 3.23Å; E121-L125 WeakPolarHBondContact O-CB 3.12Å; E121-L125 PolarHBondContact O-N 3.02Å
122L94.2Very high89.5Confident0 Ų031.2 Ų31.20%015%0.148CC..Hα-helixtrans-75.7-35.7-173-60.1-166.3000113.6C86 V87 L93 L100 V118 L125 C126C86-L122 HydrophobicContact CB-CD1 4.13Å; C86-L122 HydrophobicContact CB-CD2 3.48Å; C86-L122 VanDerWaalsContact CB-CD2 3.48Å; C86-L122 HydrophobicContact CB-CG 4.45Å; V87-L122 HydrophobicContact CG2-CD2 4.08Å; L93-L122 HydrophobicContact CD2-CB 4.09Å; L93-L122 HydrophobicContact CD2-CD1 4.31Å; L93-L122 HydrophobicContact CD2-CD2 4.24Å; L93-L122 HydrophobicContact CD2-CG 4.44Å; L100-L122 HydrophobicContact CD1-CD1 3.76Å; V118-L122 HydrophobicContact CG1-CD1 3.44Å; V118-L122 VanDerWaalsContact CG1-CD1 3.44Å; V118-L122 HydrophobicContact CG1-CG 3.83Å; V118-L122 WeakPolarHBondContact O-CG 3.47Å; V118-L122 PolarHBondContact O-N 2.63Å; L122-L125 HydrophobicContact CD2-CD2 4.36Å; L122-L125 PolarHBondContact O-N 3.06Å; L122-C126 WeakPolarHBondContact O-CB 3.45Å; L122-C126 PolarHBondContact O-N 2.98Å
123Y94.4Very high87.7Confident6 Ų634.1 Ų34.12%0.02417%0.17CC..Hα-helixtrans-66-50.1-179.9-177.3-96.5000112.2M119 L125 C126 L127 L145 L148 V180 H181M119-Y123 HydrophobicContact CE-CD2 4.25Å; M119-Y123 VanDerWaalsContact O-CB 3.28Å; M119-Y123 WeakPolarHBondContact O-CB 3.42Å; M119-Y123 PolarHBondContact O-N 3.14Å; Y123-L125 VanDerWaalsContact C-N 3.29Å; Y123-L125 PolarHBondContact O-N 3.32Å; Y123-C126 PolarHBondContact O-N 3.38Å; Y123-L127 HydrophobicContact CD1-CD1 4.13Å; Y123-L127 HydrophobicContact CE1-CD1 3.54Å; Y123-L127 HydrophobicContact CE1-CG 4.44Å; Y123-L127 PolarHBondContact O-N 3.21Å; Y123-L145 HydrophobicContact CE2-CD1 4.03Å; Y123-L148 HydrophobicContact CD2-CB 4.15Å; Y123-V180 HydrophobicContact CD1-CG1 4.4Å; Y123-V180 HydrophobicContact CE1-CG1 4.3Å; Y123-H181 AromaticContact CE1-NE2 3.43Å; Y123-H181 WeakPolarHBondContact CE1-NE2 3.3Å; Y123-H181 AromaticContact CZ-NE2 3.61Å; Y123-H181 PolarHBondContact OH-NE2 2.88Å
124P92Very high85.9Confident9 Ų938.9 Ų38.96%0.05820%0.196CC..Hα-helixtrans-61.5-36.1172.9-22.433.9000113R128 K176 V180P124-R128 WeakPolarHBondContact O-CB 3.48Å; P124-R128 VanDerWaalsContact O-CG 3.28Å; P124-R128 WeakPolarHBondContact O-CG 3.24Å; P124-R128 PolarHBondContact O-N 3.02Å; P124-K176 HydrophobicContact CG-CB 4.27Å; P124-V180 HydrophobicContact CB-CB 4.29Å; P124-V180 HydrophobicContact CB-CG1 4.42Å; P124-V180 HydrophobicContact CB-CG2 4.39Å; P124-V180 HydrophobicContact CG-CG1 4.5Å
125L90.6Very high83.6Confident38 Ų3844.8 Ų44.820%0.19922%0.216CC..Hα-helixtrans-64.3-42.1177.3-177.666.8000112C86 V87 P90 L93 E121 L122 Y123 R128 S129C86-L125 VanDerWaalsContact O-CD2 3.25Å; C86-L125 WeakPolarHBondContact O-CD2 3.36Å; V87-L125 HydrophobicContact CG2-CD2 4.43Å; P90-L125 HydrophobicContact CG-CD1 4.49Å; L93-L125 HydrophobicContact CD1-CD2 4.31Å; L93-L125 HydrophobicContact CD1-CG 4.25Å; E121-L125 VanDerWaalsContact O-CB 3.23Å; E121-L125 WeakPolarHBondContact O-CB 3.12Å; E121-L125 PolarHBondContact O-N 3.02Å; L122-L125 HydrophobicContact CD2-CD2 4.36Å; L122-L125 PolarHBondContact O-N 3.06Å; Y123-L125 VanDerWaalsContact C-N 3.29Å; Y123-L125 PolarHBondContact O-N 3.32Å; L125-R128 PolarHBondContact O-N 3.3Å; L125-S129 VanDerWaalsContact O-CB 3.31Å; L125-S129 WeakPolarHBondContact O-CB 2.97Å; L125-S129 PolarHBondContact O-N 3.42Å; L125-S129 PolarHBondContact O-OG 2.88Å
126C88.5Confident81.6Confident0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-60.6-50.8177.3-177.30000111.2L93 L122 Y123 R128 S129 L130 M141 L148L93-C126 HydrophobicContact CD1-CB 4.09Å; L122-C126 WeakPolarHBondContact O-CB 3.45Å; L122-C126 PolarHBondContact O-N 2.98Å; Y123-C126 PolarHBondContact O-N 3.38Å; C126-R128 PolarHBondContact O-N 3.22Å; C126-S129 PolarHBondContact O-N 2.58Å; C126-S129 VanDerWaalsContact O-N 3.17Å; C126-L130 PolarHBondContact O-N 3.15Å; C126-M141 HydrophobicContact CB-CE 4.39Å; C126-M141 WeakPolarHBondContact SG-CE 3.49Å; C126-L148 HydrophobicContact CB-CD1 3.65Å
127L86.5Confident79.3Confident1 Ų153 Ų531%0.00528%0.278CS..Hα-helixtrans-59.4-48.5177.4-71.8175.5000111.7Y123 S129 L130 A131 L145 V180 F186Y123-L127 HydrophobicContact CD1-CD1 4.13Å; Y123-L127 HydrophobicContact CE1-CD1 3.54Å; Y123-L127 HydrophobicContact CE1-CG 4.44Å; Y123-L127 PolarHBondContact O-N 3.21Å; L127-S129 PolarHBondContact O-N 3.45Å; L127-L130 WeakPolarHBondContact O-CB 3.39Å; L127-L130 PolarHBondContact O-N 2.75Å; L127-A131 PolarHBondContact O-N 3.36Å; L127-L145 HydrophobicContact CD2-CD1 3.59Å; L127-L145 HydrophobicContact CD2-CD2 3.85Å; L127-L145 HydrophobicContact CD2-CG 4.4Å; L127-L145 HydrophobicContact CG-CD1 4.14Å; L127-V180 HydrophobicContact CB-CG2 3.98Å; L127-V180 HydrophobicContact CD1-CB 4.41Å; L127-V180 HydrophobicContact CD1-CG1 3.65Å; L127-V180 HydrophobicContact CD1-CG2 3.83Å; L127-F186 HydrophobicContact CB-CE2 3.89Å; L127-F186 HydrophobicContact CB-CZ 3.95Å; L127-F186 HydrophobicContact CD2-CZ 3.96Å; L127-F186 HydrophobicContact CG-CZ 4.41Å; L127-F186 WeakPolarHBondContact O-CE2 3.3Å
128R85.4Confident77.2Confident129 Ų12952.7 Ų52.749%0.48728%0.276SS..Hα-helixtrans-63.5-30.2177.8-71.2175.4-176.3151.60.8113.3P124 L125 C126 A131P124-R128 WeakPolarHBondContact O-CB 3.48Å; P124-R128 VanDerWaalsContact O-CG 3.28Å; P124-R128 WeakPolarHBondContact O-CG 3.24Å; P124-R128 PolarHBondContact O-N 3.02Å; L125-R128 PolarHBondContact O-N 3.3Å; C126-R128 PolarHBondContact O-N 3.22Å; R128-A131 PolarHBondContact O-N 3.11Å
129S80.6Confident75.6Confident15 Ų1558.8 Ų58.811%0.10531%0.314CS..Hα-helixtrans-72.3-37.6177.2-58.80000111.6L125 C126 L127 A131 K132L125-S129 VanDerWaalsContact O-CB 3.31Å; L125-S129 WeakPolarHBondContact O-CB 2.97Å; L125-S129 PolarHBondContact O-N 3.42Å; L125-S129 PolarHBondContact O-OG 2.88Å; C126-S129 PolarHBondContact O-N 2.58Å; C126-S129 VanDerWaalsContact O-N 3.17Å; L127-S129 PolarHBondContact O-N 3.45Å; S129-A131 PolarHBondContact O-N 2.99Å; S129-K132 PolarHBondContact O-N 3.25Å
130L77Confident74.2Confident24 Ų2460.3 Ų60.313%0.12633%0.33CS..Hα-helixtrans-62.3-29.2173.1-80.9166.3000113.3C126 L127 K132 M141 L145 F196C126-L130 PolarHBondContact O-N 3.15Å; L127-L130 WeakPolarHBondContact O-CB 3.39Å; L127-L130 PolarHBondContact O-N 2.75Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.16Å; L130-M141 HydrophobicContact CD2-CB 3.51Å; L130-M141 HydrophobicContact CD2-CG 4.4Å; L130-M141 HydrophobicContact CD2-SD 4.16Å; L130-M141 HydrophobicContact CG-CB 4.26Å; L130-M141 HydrophobicContact CG-CE 4.26Å; L130-M141 HydrophobicContact CG-SD 4.08Å; L130-L145 HydrophobicContact CD1-CB 4.03Å; L130-L145 HydrophobicContact CD1-CD2 3.78Å; L130-L145 HydrophobicContact CD1-CG 4.36Å; L130-F196 HydrophobicContact CD1-CE2 4.46Å; L130-F196 HydrophobicContact CD1-CZ 4.24Å
131A73.4Confident73.2Confident19 Ų1960.3 Ų60.316%0.15733%0.329CS..THydrogen-bonded Turntrans-74.5-15178.600000114.3L127 R128 S129 F186 S189 V192L127-A131 PolarHBondContact O-N 3.36Å; R128-A131 PolarHBondContact O-N 3.11Å; S129-A131 PolarHBondContact O-N 2.99Å; A131-F186 HydrophobicContact CB-CD2 3.79Å; A131-F186 HydrophobicContact CB-CE2 4.12Å; A131-S189 WeakPolarHBondContact CB-OG 3.48Å; A131-V192 HydrophobicContact CB-CG2 4.12Å
132K72.5Confident72.4Confident143 Ų14360.5 Ų60.562%0.62233%0.332SS*.SBendtrans-77.7142.8-178.1-67.6-177.1178.7-178.80111.9S129 L130 D134 N191S129-K132 PolarHBondContact O-N 3.25Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.16Å; K132-D134 PolarHBondContact O-N 3.42Å; K132-N191 PolarHBondContact O-ND2 3.36Å
133V56.1Low71.9Confident109 Ų10969.1 Ų69.166%0.66137%0.365SS*.SBendtrans-68.3-32.2-171.3178.90000113.3R135V133-R135 PolarHBondContact O-N 2.92Å
134D53.7Low71.6Confident139 Ų13969 Ų6974%0.74336%0.364SS*.  trans-78.392.3-170.7-65.5-32.5000112.1K132 G136 L138K132-D134 PolarHBondContact O-N 3.42Å; D134-G136 PolarHBondContact O-N 3.41Å; D134-L138 WeakPolarHBondContact O-CD1 3.49Å
135R46.9Very low71.4Confident162 Ų16269 Ų6961%0.61136%0.364SS*.  trans-71.369.3166.9-63.6-156.5-166-163.29.5111.4V133 F195V133-R135 PolarHBondContact O-N 2.92Å; R135-F195 VanDerWaalsContact NH2-CE2 3.31Å; R135-F195 VanDerWaalsContact NH2-CZ 3.34Å
136G53.3Low71.2Confident47 Ų4773.1 Ų73.149%0.48538%0.382SS..SBendtrans-60.5-154.9154.100000111.1D134 L138D134-G136 PolarHBondContact O-N 3.41Å; G136-L138 PolarHBondContact O-N 2.83Å
137P46.2Very low71.4Confident126 Ų12674.5 Ų74.582%0.81839%0.39SS*.SBendtrans-73.948.8-177.934.6-35.3000112.3T139P137-T139 PolarHBondContact O-N 2.9Å
138L50.3Low71.7Confident61 Ų6174.5 Ų74.532%0.31939%0.39SS..  trans-7715.8174.2-67.1171.8000112.1D134 G136 G140 M141D134-L138 WeakPolarHBondContact O-CD1 3.49Å; G136-L138 PolarHBondContact O-N 2.83Å; L138-G140 PolarHBondContact O-N 3.21Å; L138-M141 HydrophobicContact CB-CG 4.31Å; L138-M141 HydrophobicContact CD2-CG 3.73Å; L138-M141 HydrophobicContact CD2-SD 3.73Å; L138-M141 PolarHBondContact O-N 3.26Å
139T60.7Low72Confident127 Ų12770.1 Ų70.178%0.77938%0.379SS*.THydrogen-bonded Turntrans-56.7105.4169.146.80000108.9P137P137-T139 PolarHBondContact O-N 2.9Å
140G67.9Low72.6Confident33 Ų3373.8 Ų73.834%0.3439%0.394SS..THydrogen-bonded Turntrans115.3-3.3178.700000116.1L138 D142 R143 T144L138-G140 PolarHBondContact O-N 3.21Å; G140-D142 VanDerWaalsContact C-N 3.26Å; G140-D142 PolarHBondContact O-N 3.48Å; G140-R143 PolarHBondContact O-N 3.28Å; G140-T144 PolarHBondContact O-N 2.95Å; G140-T144 PolarHBondContact O-OG1 3.22Å
141M73.8Confident73.5Confident6 Ų672.7 Ų72.73%0.0339%0.389CS..Hα-helixtrans-62-31.9175.5-81.6-134.379.400113.3L93 V94 C126 L130 L138 R143 T144 L145L93-M141 HydrophobicContact CD1-CE 4.33Å; V94-M141 HydrophobicContact CG2-CG 4.16Å; C126-M141 HydrophobicContact CB-CE 4.39Å; C126-M141 WeakPolarHBondContact SG-CE 3.49Å; L130-M141 HydrophobicContact CD2-CB 3.51Å; L130-M141 HydrophobicContact CD2-CG 4.4Å; L130-M141 HydrophobicContact CD2-SD 4.16Å; L130-M141 HydrophobicContact CG-CB 4.26Å; L130-M141 HydrophobicContact CG-CE 4.26Å; L130-M141 HydrophobicContact CG-SD 4.08Å; L138-M141 HydrophobicContact CB-CG 4.31Å; L138-M141 HydrophobicContact CD2-CG 3.73Å; L138-M141 HydrophobicContact CD2-SD 3.73Å; L138-M141 PolarHBondContact O-N 3.26Å; M141-R143 VanDerWaalsContact C-N 3.34Å; M141-R143 PolarHBondContact O-N 3.39Å; M141-T144 HydrophobicContact CE-CG2 4.42Å; M141-T144 CarbonylContact O-C 3.4Å; M141-T144 WeakPolarHBondContact O-CA 3.38Å; M141-T144 VanDerWaalsContact O-CB 3.24Å; M141-T144 WeakPolarHBondContact O-CB 3.46Å; M141-T144 PolarHBondContact O-N 3.41Å; M141-T144 VanDerWaalsContact O-N 3.13Å; M141-L145 PolarHBondContact O-N 3.42Å
142D76.9Confident74.5Confident76 Ų7672 Ų7241%0.40638%0.382SS..Hα-helixtrans-60.4-46175.1-60.1-32.5000111.3G140 T144 L145 Q146G140-D142 VanDerWaalsContact C-N 3.26Å; G140-D142 PolarHBondContact O-N 3.48Å; D142-T144 VanDerWaalsContact C-N 3.31Å; D142-T144 PolarHBondContact O-N 3.27Å; D142-L145 PolarHBondContact O-N 3.19Å; D142-Q146 WeakPolarHBondContact O-CG 2.85Å; D142-Q146 PolarHBondContact O-N 3.43Å
143R84.3Confident75.5Confident181 Ų18170.1 Ų70.168%0.68338%0.375SS*.Hα-helixtrans-65.4-36.4174.6-171.3174.4-174.7169.41.8111.7G140 M141 L145 Q146 L147G140-R143 PolarHBondContact O-N 3.28Å; M141-R143 VanDerWaalsContact C-N 3.34Å; M141-R143 PolarHBondContact O-N 3.39Å; R143-L145 VanDerWaalsContact C-N 3.34Å; R143-Q146 PolarHBondContact O-N 3.38Å; R143-L147 WeakPolarHBondContact O-CG 3.49Å; R143-L147 PolarHBondContact O-N 3.22Å
144T87.2Confident77.3Confident3 Ų367.9 Ų67.92%0.01836%0.362CS..Hα-helixtrans-60.3-46.9175.5-53.60000110.1L93 V94 A97 G140 M141 D142 L147 L148L93-T144 HydrophobicContact CB-CG2 4.11Å; L93-T144 WeakPolarHBondContact O-CG2 3.45Å; V94-T144 WeakPolarHBondContact CA-OG1 3.35Å; A97-T144 HydrophobicContact CB-CG2 3.6Å; G140-T144 PolarHBondContact O-N 2.95Å; G140-T144 PolarHBondContact O-OG1 3.22Å; M141-T144 HydrophobicContact CE-CG2 4.42Å; M141-T144 CarbonylContact O-C 3.4Å; M141-T144 WeakPolarHBondContact O-CA 3.38Å; M141-T144 VanDerWaalsContact O-CB 3.24Å; M141-T144 WeakPolarHBondContact O-CB 3.46Å; M141-T144 PolarHBondContact O-N 3.41Å; M141-T144 VanDerWaalsContact O-N 3.13Å; D142-T144 VanDerWaalsContact C-N 3.31Å; D142-T144 PolarHBondContact O-N 3.27Å; T144-L147 PolarHBondContact O-N 3.39Å; T144-L148 WeakPolarHBondContact O-CG 3.32Å; T144-L148 PolarHBondContact O-N 3.25Å
145L87.1Confident79.3Confident10 Ų1061.3 Ų61.35%0.05233%0.327CS..Hα-helixtrans-67.2-39.1177.7-177.367.8000112.5Y123 L127 L130 M141 D142 R143 L147 L148 S149 F196Y123-L145 HydrophobicContact CE2-CD1 4.03Å; L127-L145 HydrophobicContact CD2-CD1 3.59Å; L127-L145 HydrophobicContact CD2-CD2 3.85Å; L127-L145 HydrophobicContact CD2-CG 4.4Å; L127-L145 HydrophobicContact CG-CD1 4.14Å; L130-L145 HydrophobicContact CD1-CB 4.03Å; L130-L145 HydrophobicContact CD1-CD2 3.78Å; L130-L145 HydrophobicContact CD1-CG 4.36Å; M141-L145 PolarHBondContact O-N 3.42Å; D142-L145 PolarHBondContact O-N 3.19Å; R143-L145 VanDerWaalsContact C-N 3.34Å; L145-L147 VanDerWaalsContact C-N 3.33Å; L145-L147 PolarHBondContact O-N 3.09Å; L145-L148 PolarHBondContact O-N 3.12Å; L145-S149 VanDerWaalsContact O-CB 3.3Å; L145-S149 WeakPolarHBondContact O-CB 3.44Å; L145-S149 PolarHBondContact O-N 3.37Å; L145-S149 PolarHBondContact O-OG 3.34Å; L145-F196 HydrophobicContact CD2-CD1 4.46Å; L145-F196 HydrophobicContact CD2-CE1 3.18Å; L145-F196 HydrophobicContact CD2-CE2 4.27Å; L145-F196 HydrophobicContact CD2-CZ 3.06Å
146Q88Confident81.5Confident124 Ų12454.6 Ų54.658%0.57930%0.303SS*.Hα-helixtrans-56.2-49.3173.9-73.5169.9-2.400110.8D142 R143 L148 S149 E150D142-Q146 WeakPolarHBondContact O-CG 2.85Å; D142-Q146 PolarHBondContact O-N 3.43Å; R143-Q146 PolarHBondContact O-N 3.38Å; Q146-L148 PolarHBondContact O-N 3.45Å; Q146-S149 WeakPolarHBondContact O-CB 3.41Å; Q146-S149 PolarHBondContact O-N 3.12Å; Q146-S149 VanDerWaalsContact O-N 3.15Å; Q146-E150 PolarHBondContact O-N 3.28Å
147L92.1Very high83.4Confident30 Ų3056.2 Ų56.216%0.15731%0.305CS..Hα-helixtrans-62.2-43.5177-70.6171.7000112.5A97 P98 A101 R143 T144 L145 S149 E150 V151A97-L147 HydrophobicContact CB-CB 4.15Å; A97-L147 HydrophobicContact CB-CD1 4.15Å; P98-L147 HydrophobicContact CB-CD1 4.5Å; P98-L147 HydrophobicContact CG-CD1 3.97Å; A101-L147 HydrophobicContact CB-CB 4.37Å; A101-L147 HydrophobicContact CB-CD2 4.02Å; R143-L147 WeakPolarHBondContact O-CG 3.49Å; R143-L147 PolarHBondContact O-N 3.22Å; T144-L147 PolarHBondContact O-N 3.39Å; L145-L147 VanDerWaalsContact C-N 3.33Å; L145-L147 PolarHBondContact O-N 3.09Å; L147-S149 VanDerWaalsContact C-N 3.25Å; L147-S149 PolarHBondContact O-N 3.35Å; L147-E150 WeakPolarHBondContact O-CB 3.35Å; L147-E150 PolarHBondContact O-N 3.25Å; L147-V151 WeakPolarHBondContact O-CG2 3.25Å; L147-V151 PolarHBondContact O-N 3.33Å
148L92.8Very high85.6Confident1 Ų151.5 Ų51.51%0.00527%0.272CS..Hα-helixtrans-67.5-28.4176.6-67.6-172.4000112.5A97 L100 M119 Y123 C126 T144 L145 Q146 V151 K152A97-L148 HydrophobicContact CB-CD2 4.16Å; A97-L148 HydrophobicContact CB-CG 4.31Å; L100-L148 HydrophobicContact CB-CD2 4.47Å; L100-L148 HydrophobicContact CD1-CD2 3.77Å; M119-L148 HydrophobicContact CE-CB 4.07Å; M119-L148 HydrophobicContact CE-CD2 4.07Å; M119-L148 WeakPolarHBondContact CE-O 3.45Å; M119-L148 HydrophobicContact SD-CD2 3.87Å; Y123-L148 HydrophobicContact CD2-CB 4.15Å; C126-L148 HydrophobicContact CB-CD1 3.65Å; T144-L148 WeakPolarHBondContact O-CG 3.32Å; T144-L148 PolarHBondContact O-N 3.25Å; L145-L148 PolarHBondContact O-N 3.12Å; Q146-L148 PolarHBondContact O-N 3.45Å; L148-V151 PolarHBondContact O-N 2.81Å; L148-K152 PolarHBondContact O-N 3.49Å
149S91.2Very high87.6Confident36 Ų3648.6 Ų48.625%0.25226%0.257SS..Hα-helixtrans-73-39.6173.5-56.10000110.8L145 Q146 L147 V151 K152 E153L145-S149 VanDerWaalsContact O-CB 3.3Å; L145-S149 WeakPolarHBondContact O-CB 3.44Å; L145-S149 PolarHBondContact O-N 3.37Å; L145-S149 PolarHBondContact O-OG 3.34Å; Q146-S149 WeakPolarHBondContact O-CB 3.41Å; Q146-S149 PolarHBondContact O-N 3.12Å; Q146-S149 VanDerWaalsContact O-N 3.15Å; L147-S149 VanDerWaalsContact C-N 3.25Å; L147-S149 PolarHBondContact O-N 3.35Å; S149-V151 VanDerWaalsContact C-N 3.26Å; S149-V151 PolarHBondContact O-N 3.4Å; S149-K152 WeakPolarHBondContact O-CB 3.26Å; S149-K152 PolarHBondContact O-N 3.49Å; S149-K152 VanDerWaalsContact O-N 3.12Å; S149-E153 WeakPolarHBondContact O-CG 3.12Å; S149-E153 PolarHBondContact O-N 3.25Å
150E94Very high88.9Confident93 Ų9347.5 Ų47.544%0.43525%0.247SC..Hα-helixtrans-55.9-43.2168.6-69.7174.9-153.100111.2R105 Q146 L147 E153 V154R105-E150 IonicContact NH2-OE2 3.38Å; Q146-E150 PolarHBondContact O-N 3.28Å; L147-E150 WeakPolarHBondContact O-CB 3.35Å; L147-E150 PolarHBondContact O-N 3.25Å; E150-E153 PolarHBondContact O-N 3.34Å; E150-V154 WeakPolarHBondContact O-CG2 3.23Å; E150-V154 PolarHBondContact O-N 2.94Å
151V95.3Very high89.8Confident1 Ų146.8 Ų46.81%0.00624%0.237CC..Hα-helixtrans-63.6-42.6175.5178.40000111.5A101 A104 L115 M119 L147 L148 S149 E153 V154 L155A101-V151 HydrophobicContact CB-CG2 4.11Å; A104-V151 HydrophobicContact CB-CB 4.45Å; A104-V151 HydrophobicContact CB-CG1 4.1Å; A104-V151 HydrophobicContact CB-CG2 3.98Å; L115-V151 HydrophobicContact CD2-CG1 3.63Å; L115-V151 HydrophobicContact CG-CG1 4.12Å; M119-V151 HydrophobicContact CE-CB 3.86Å; M119-V151 HydrophobicContact CE-CG1 3.75Å; M119-V151 HydrophobicContact CG-CG1 3.74Å; M119-V151 HydrophobicContact SD-CB 4.32Å; M119-V151 HydrophobicContact SD-CG1 3.81Å; L147-V151 WeakPolarHBondContact O-CG2 3.25Å; L147-V151 PolarHBondContact O-N 3.33Å; L148-V151 PolarHBondContact O-N 2.81Å; S149-V151 VanDerWaalsContact C-N 3.26Å; S149-V151 PolarHBondContact O-N 3.4Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.25Å; V151-V154 PolarHBondContact O-N 3.44Å; V151-L155 HydrophobicContact CG1-CD1 3.77Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 VanDerWaalsContact O-CG 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.26Å; V151-L155 PolarHBondContact O-N 3.49Å
152K94.6Very high90.2Very high4 Ų454.4 Ų54.42%0.01728%0.277CS..Hα-helixtrans-53.9-51173.6174.5-167.4170.3-122.40110L148 S149 V154 L155 L156 F173 D204L148-K152 PolarHBondContact O-N 3.49Å; S149-K152 WeakPolarHBondContact O-CB 3.26Å; S149-K152 PolarHBondContact O-N 3.49Å; S149-K152 VanDerWaalsContact O-N 3.12Å; K152-V154 VanDerWaalsContact C-N 3.29Å; K152-V154 PolarHBondContact O-N 3.02Å; K152-L155 PolarHBondContact O-N 3.47Å; K152-L156 HydrophobicContact CG-CD1 4.19Å; K152-L156 HydrophobicContact CG-CG 4.21Å; K152-L156 WeakPolarHBondContact O-CG 3.32Å; K152-L156 PolarHBondContact O-N 2.87Å; K152-F173 HydrophobicContact CB-CZ 4.17Å; K152-F173 HydrophobicContact CG-CE1 4.19Å; K152-F173 HydrophobicContact CG-CZ 4.1Å; K152-D204 VanDerWaalsContact NZ-CG 3.28Å; K152-D204 IonicContact NZ-OD1 2.86Å; K152-D204 PolarHBondContact NZ-OD1 3.4Å; K152-D204 VanDerWaalsContact NZ-OD1 3.08Å; K152-D204 IonicContact NZ-OD2 3.67Å; K152-D204 PolarHBondContact NZ-OD2 3.1Å
153E94.1Very high90.6Very high104 Ų10453.5 Ų53.549%0.48628%0.277SS..Hα-helixtrans-63.7-32.1-178.6-63.4-48.9128.900113S149 E150 V151 P157S149-E153 WeakPolarHBondContact O-CG 3.12Å; S149-E153 PolarHBondContact O-N 3.25Å; E150-E153 PolarHBondContact O-N 3.34Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.25Å; E153-P157 WeakPolarHBondContact O-CD 3.28Å
154V93.8Very high90.6Very high62 Ų6248.8 Ų48.838%0.37626%0.263SS..Hα-helixtrans-71.2-31173.2172.60000112.5A104 E150 V151 K152A104-V154 HydrophobicContact CB-CB 4.49Å; A104-V154 HydrophobicContact CB-CG1 4.2Å; A104-V154 WeakPolarHBondContact O-CG1 2.9Å; E150-V154 WeakPolarHBondContact O-CG2 3.23Å; E150-V154 PolarHBondContact O-N 2.94Å; V151-V154 PolarHBondContact O-N 3.44Å; K152-V154 VanDerWaalsContact C-N 3.29Å; K152-V154 PolarHBondContact O-N 3.02Å
155L94.6Very high90.4Very high1 Ų150 Ų501%0.00528%0.276CS..Hα-helixtrans-88.5-27.2-176.9-68.1178.6000113.5L115 L116 M119 V151 K152 P157 L158 F173L115-L155 HydrophobicContact CB-CD1 4.41Å; L115-L155 HydrophobicContact CB-CD2 4.43Å; L115-L155 HydrophobicContact CD2-CD1 4.08Å; L115-L155 HydrophobicContact CD2-CD2 4.1Å; L115-L155 HydrophobicContact CD2-CG 4.33Å; L115-L155 HydrophobicContact CG-CD1 4.09Å; L116-L155 HydrophobicContact CD2-CB 3.91Å; L116-L155 HydrophobicContact CD2-CD1 4.03Å; L116-L155 HydrophobicContact CD2-CD2 4.28Å; L116-L155 HydrophobicContact CD2-CG 4.3Å; L116-L155 HydrophobicContact CG-CD1 4.37Å; L116-L155 HydrophobicContact CG-CD2 4.17Å; M119-L155 HydrophobicContact CB-CD1 4.15Å; M119-L155 HydrophobicContact CG-CD1 3.85Å; V151-L155 HydrophobicContact CG1-CD1 3.77Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 VanDerWaalsContact O-CG 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.26Å; V151-L155 PolarHBondContact O-N 3.49Å; K152-L155 PolarHBondContact O-N 3.47Å; L155-P157 VanDerWaalsContact C-CD 3.5Å; L155-L158 HydrophobicContact CD2-CD1 3.68Å; L155-L158 VanDerWaalsContact O-CB 3.25Å; L155-L158 WeakPolarHBondContact O-CB 3.23Å; L155-L158 PolarHBondContact O-N 3.2Å; L155-F173 HydrophobicContact CB-CE1 4.28Å
156L94.4Very high90.5Very high20 Ų2049.8 Ų49.811%0.10528%0.276CS..G310 helixtrans-54.5-41179.7-79.8176.2000114.3K152 L158 L159 V174 L208K152-L156 HydrophobicContact CG-CD1 4.19Å; K152-L156 HydrophobicContact CG-CG 4.21Å; K152-L156 WeakPolarHBondContact O-CG 3.32Å; K152-L156 PolarHBondContact O-N 2.87Å; L156-L158 PolarHBondContact O-N 3Å; L156-L158 VanDerWaalsContact O-N 3.07Å; L156-L159 HydrophobicContact CD2-CD1 4.37Å; L156-L159 WeakPolarHBondContact O-CB 3.49Å; L156-L159 PolarHBondContact O-N 2.99Å; L156-L159 VanDerWaalsContact O-N 3.16Å; L156-V174 HydrophobicContact CD2-CG2 3.7Å; L156-L208 HydrophobicContact CD1-CD2 4.34Å; L156-L208 HydrophobicContact CD2-CD2 3.59Å
157P93.1Very high90.7Very high82 Ų8245.8 Ų45.853%0.53226%0.255SS..G310 helixtrans-59.1-18.5175.3-26.835.5000114.6E153 L155 L159 D160E153-P157 WeakPolarHBondContact O-CD 3.28Å; L155-P157 VanDerWaalsContact C-CD 3.5Å; P157-L159 PolarHBondContact O-N 3.32Å; P157-D160 PolarHBondContact O-N 3.06Å
158L92.1Very high90.7Very high26 Ų2646 Ų4614%0.13626%0.257CS..G310 helixtrans-72-12.6178.8-61.2172000113.7K112 L116 L155 L156 D160 S161 R167 A170K112-L158 HydrophobicContact CB-CD1 3.94Å; K112-L158 HydrophobicContact CD-CD1 4.27Å; K112-L158 HydrophobicContact CD-CD2 4.29Å; K112-L158 HydrophobicContact CG-CD1 4.5Å; L116-L158 HydrophobicContact CD1-CD1 3.91Å; L116-L158 HydrophobicContact CG-CD1 4.35Å; L155-L158 HydrophobicContact CD2-CD1 3.68Å; L155-L158 VanDerWaalsContact O-CB 3.25Å; L155-L158 WeakPolarHBondContact O-CB 3.23Å; L155-L158 PolarHBondContact O-N 3.2Å; L156-L158 PolarHBondContact O-N 3Å; L156-L158 VanDerWaalsContact O-N 3.07Å; L158-D160 PolarHBondContact O-N 3.33Å; L158-S161 VanDerWaalsContact O-CB 3.27Å; L158-S161 WeakPolarHBondContact O-CB 3.27Å; L158-S161 PolarHBondContact O-N 3.45Å; L158-S161 VanDerWaalsContact O-N 3.11Å; L158-S161 PolarHBondContact O-OG 2.82Å; L158-R167 WeakPolarHBondContact O-CA 3.46Å; L158-A170 HydrophobicContact CB-CB 4.16Å
159L91.2Very high90.7Very high1 Ų149 Ų491%0.00527%0.271CS..G310 helixtrans-54.3-34.5167-80.7164000111.8L156 P157 R167 A170 I171 V174 K211 L212 M215L156-L159 HydrophobicContact CD2-CD1 4.37Å; L156-L159 WeakPolarHBondContact O-CB 3.49Å; L156-L159 PolarHBondContact O-N 2.99Å; L156-L159 VanDerWaalsContact O-N 3.16Å; P157-L159 PolarHBondContact O-N 3.32Å; L159-R167 WeakPolarHBondContact O-CD 3.42Å; L159-R167 WeakPolarHBondContact O-CG 3.35Å; L159-A170 HydrophobicContact CD2-CB 4.28Å; L159-A170 HydrophobicContact CG-CB 4.21Å; L159-I171 HydrophobicContact CD2-CG1 3.94Å; L159-V174 HydrophobicContact CD1-CG2 3.86Å; L159-V174 HydrophobicContact CD2-CG2 4.12Å; L159-V174 HydrophobicContact CG-CG2 4.1Å; L159-K211 HydrophobicContact CD1-CD 3.97Å; L159-L212 HydrophobicContact CD2-CD2 3.77Å; L159-M215 HydrophobicContact CD2-SD 4.03Å
160D89Confident90.9Very high103 Ų10347.3 Ų47.355%0.55126%0.259SS*.G310 helixtrans-101.816.2-177.7-56.4-52.7000111.5P157 L158 K211P157-D160 PolarHBondContact O-N 3.06Å; L158-D160 PolarHBondContact O-N 3.33Å; D160-K211 IonicContact OD2-NZ 2.93Å; D160-K211 PolarHBondContact OD2-NZ 3.47Å
161S86.7Confident90.9Very high19 Ų1942.9 Ų42.913%0.13324%0.238CC..  trans-71.8146.8-178.165.60000113L158 S163 R167L158-S161 VanDerWaalsContact O-CB 3.27Å; L158-S161 WeakPolarHBondContact O-CB 3.27Å; L158-S161 PolarHBondContact O-N 3.45Å; L158-S161 VanDerWaalsContact O-N 3.11Å; L158-S161 PolarHBondContact O-OG 2.82Å; S161-S163 PolarHBondContact O-N 3.36Å; S161-S163 PolarHBondContact OG-O 2.91Å; S161-R167 PolarHBondContact O-NH1 3.45Å; S161-R167 PolarHBondContact OG-N 3.11Å
162D81.8Confident90.9Very high165 Ų16544.3 Ų44.388%0.88225%0.248SC*.SBendtrans-66.4-27.3173.6-62.7-41.6000112.2E164D162-E164 PolarHBondContact O-N 3.47Å
163S85.6Confident90.9Very high57 Ų5744.2 Ų44.240%0.39925%0.248SC..  trans-73.8105.5175.8177.20000110.2S161 G165 A166 R167S161-S163 PolarHBondContact O-N 3.36Å; S161-S163 PolarHBondContact OG-O 2.91Å; S163-G165 PolarHBondContact O-N 3.14Å; S163-A166 PolarHBondContact O-N 3.1Å; S163-A166 PolarHBondContact OG-N 2.77Å; S163-R167 PolarHBondContact O-N 2.99Å
164E84.3Confident91Very high82 Ų8239.3 Ų39.338%0.38323%0.225SC..Hα-helixtrans-52-41.4177.5-172.9174.4-144.600111.7D162 R167 L168 T222 S224D162-E164 PolarHBondContact O-N 3.47Å; E164-R167 PolarHBondContact O-N 3.34Å; E164-L168 HydrophobicContact CG-CD1 4.16Å; E164-L168 HydrophobicContact CG-CG 4.38Å; E164-L168 WeakPolarHBondContact O-CG 3.18Å; E164-L168 PolarHBondContact O-N 3.2Å; E164-T222 WeakPolarHBondContact OE1-CB 3.43Å; E164-T222 PolarHBondContact OE1-OG1 3.35Å; E164-S224 VanDerWaalsContact CD-OG 3.31Å; E164-S224 PolarHBondContact OE1-OG 3.13Å
165G83.3Confident91.1Very high30 Ų3036.5 Ų36.531%0.30921%0.208SC..Hα-helixtrans-61.5-4617700000113.3S163 L168 H169S163-G165 PolarHBondContact O-N 3.14Å; G165-L168 PolarHBondContact O-N 3.29Å; G165-H169 PolarHBondContact O-CD2 2.85Å; G165-H169 PolarHBondContact O-N 3.31Å
166A88Confident91.1Very high5 Ų540.3 Ų40.34%0.04123%0.225CC..Hα-helixtrans-64.8-42.6177.500000111.5I113 L116 S163 H169 A170I113-A166 HydrophobicContact CD1-CB 4.32Å; I113-A166 HydrophobicContact CG1-CB 3.9Å; L116-A166 WeakPolarHBondContact CD1-O 3.49Å; S163-A166 PolarHBondContact O-N 3.1Å; S163-A166 PolarHBondContact OG-N 2.77Å; A166-H169 PolarHBondContact O-N 2.82Å; A166-A170 WeakPolarHBondContact O-CB 2.81Å; A166-A170 PolarHBondContact O-N 2.86Å
167R92.1Very high91.1Very high39 Ų3939.3 Ų39.315%0.14722%0.22CC..Hα-helixtrans-59.6-46.7176.2-179.7165.569.1-126.71.9112.8L158 L159 S161 S163 E164 H169 A170 I171 M215 T225L158-R167 WeakPolarHBondContact O-CA 3.46Å; L159-R167 WeakPolarHBondContact O-CD 3.42Å; L159-R167 WeakPolarHBondContact O-CG 3.35Å; S161-R167 PolarHBondContact O-NH1 3.45Å; S161-R167 PolarHBondContact OG-N 3.11Å; S163-R167 PolarHBondContact O-N 2.99Å; E164-R167 PolarHBondContact O-N 3.34Å; R167-H169 VanDerWaalsContact C-N 3.35Å; R167-H169 PolarHBondContact O-N 2.93Å; R167-A170 WeakPolarHBondContact O-CB 3.41Å; R167-A170 PolarHBondContact O-N 2.61Å; R167-I171 HydrophobicContact CG-CD1 4.25Å; R167-I171 WeakPolarHBondContact O-CG1 3.35Å; R167-I171 PolarHBondContact O-N 3.29Å; R167-M215 HydrophobicContact CG-CE 4.26Å; R167-T225 PolarHBondContact NE-OG1 3.23Å; R167-T225 PolarHBondContact NH2-OG1 2.9Å
168L92.9Very high91.1Very high36 Ų3635.4 Ų35.419%0.18819%0.194CC..Hα-helixtrans-62-40.7179.1-69176.4000112.6E164 G165 S172 V228E164-L168 HydrophobicContact CG-CD1 4.16Å; E164-L168 HydrophobicContact CG-CG 4.38Å; E164-L168 WeakPolarHBondContact O-CG 3.18Å; E164-L168 PolarHBondContact O-N 3.2Å; G165-L168 PolarHBondContact O-N 3.29Å; L168-S172 PolarHBondContact O-N 3.22Å; L168-S172 PolarHBondContact O-OG 3.27Å; L168-V228 HydrophobicContact CD2-CB 3.89Å; L168-V228 HydrophobicContact CD2-CG1 4.32Å; L168-V228 HydrophobicContact CD2-CG2 3.88Å
169H92.8Very high91.2Very high63 Ų6335.3 Ų35.329%0.29219%0.194SC..Hα-helixtrans-71.8-34.3175.5-69.5-56.1000112.5L116 G165 A166 R167 S172 F173L116-H169 HydrophobicContact CB-CB 4.07Å; L116-H169 HydrophobicContact CD1-CB 3.96Å; G165-H169 PolarHBondContact O-CD2 2.85Å; G165-H169 PolarHBondContact O-N 3.31Å; A166-H169 PolarHBondContact O-N 2.82Å; R167-H169 VanDerWaalsContact C-N 3.35Å; R167-H169 PolarHBondContact O-N 2.93Å; H169-S172 PolarHBondContact O-N 2.89Å; H169-F173 PolarHBondContact O-N 2.67Å
170A95Very high91.2Very high1 Ų135.3 Ų35.31%0.00819%0.194CC..Hα-helixtrans-62.2-42.8173.700000111.6L116 L158 L159 A166 R167 S172 F173 V174L116-A170 HydrophobicContact CD1-CB 4.12Å; L116-A170 HydrophobicContact CD2-CB 4.16Å; L158-A170 HydrophobicContact CB-CB 4.16Å; L159-A170 HydrophobicContact CD2-CB 4.28Å; L159-A170 HydrophobicContact CG-CB 4.21Å; A166-A170 WeakPolarHBondContact O-CB 2.81Å; A166-A170 PolarHBondContact O-N 2.86Å; R167-A170 WeakPolarHBondContact O-CB 3.41Å; R167-A170 PolarHBondContact O-N 2.61Å; A170-S172 VanDerWaalsContact C-N 3.31Å; A170-S172 PolarHBondContact O-N 3.06Å; A170-F173 PolarHBondContact O-N 2.83Å; A170-V174 WeakPolarHBondContact O-CB 3.46Å; A170-V174 WeakPolarHBondContact O-CG2 3.29Å; A170-V174 PolarHBondContact O-N 3.02Å
171I94.9Very high91.2Very high0 Ų030.4 Ų30.40%017%0.167CC..Hα-helixtrans-57.6-45.8174-67.5162.2000110.8L159 R167 F173 V174 A175 L212 M215 T225 V228 L229 M232L159-I171 HydrophobicContact CD2-CG1 3.94Å; R167-I171 HydrophobicContact CG-CD1 4.25Å; R167-I171 WeakPolarHBondContact O-CG1 3.35Å; R167-I171 PolarHBondContact O-N 3.29Å; I171-F173 PolarHBondContact O-N 2.96Å; I171-V174 PolarHBondContact O-N 3.39Å; I171-A175 WeakPolarHBondContact O-CB 3.3Å; I171-A175 PolarHBondContact O-N 3.47Å; I171-L212 HydrophobicContact CB-CD2 4.46Å; I171-L212 HydrophobicContact CG1-CD2 4.21Å; I171-L212 HydrophobicContact CG2-CD2 4.2Å; I171-M215 HydrophobicContact CD1-CE 4.2Å; I171-M215 HydrophobicContact CG1-CE 4.41Å; I171-T225 HydrophobicContact CD1-CG2 3.76Å; I171-V228 HydrophobicContact CG2-CG1 4.39Å; I171-L229 HydrophobicContact CD1-CD1 3.91Å; I171-L229 HydrophobicContact CG1-CD1 4.18Å; I171-L229 HydrophobicContact CG2-CB 4.46Å; I171-L229 HydrophobicContact CG2-CD1 4.26Å; I171-L229 HydrophobicContact CG2-CG 4.46Å; I171-M232 HydrophobicContact CG2-CB 4.41Å; I171-M232 HydrophobicContact CG2-CG 4.25Å
172S93.8Very high91.3Very high31 Ų3130.1 Ų30.122%0.21717%0.165CC..Hα-helixtrans-65-40.2179.6-59.60000112.4L168 H169 A170 K176L168-S172 PolarHBondContact O-N 3.22Å; L168-S172 PolarHBondContact O-OG 3.27Å; H169-S172 PolarHBondContact O-N 2.89Å; A170-S172 VanDerWaalsContact C-N 3.31Å; A170-S172 PolarHBondContact O-N 3.06Å; S172-K176 WeakPolarHBondContact O-CG 3.27Å; S172-K176 PolarHBondContact O-N 3.14Å
173F95.9Very high91.5Very high1 Ų123.8 Ų23.80%0.00413%0.131CC..Hα-helixtrans-63-49.8175.3169.2-118.8000111.4L116 M119 S120 K152 L155 H169 A170 I171 A175 K176 C177L116-F173 HydrophobicContact CD2-CB 3.89Å; L116-F173 HydrophobicContact CD2-CD1 3.82Å; L116-F173 HydrophobicContact CD2-CG 4.03Å; M119-F173 HydrophobicContact CB-CD2 3.99Å; M119-F173 HydrophobicContact CB-CE2 3.59Å; M119-F173 HydrophobicContact CB-CZ 4.17Å; S120-F173 VanDerWaalsContact OG-CA 3.27Å; S120-F173 WeakPolarHBondContact OG-CA 3.48Å; S120-F173 WeakPolarHBondContact OG-CB 3.44Å; K152-F173 HydrophobicContact CB-CZ 4.17Å; K152-F173 HydrophobicContact CG-CE1 4.19Å; K152-F173 HydrophobicContact CG-CZ 4.1Å; L155-F173 HydrophobicContact CB-CE1 4.28Å; H169-F173 PolarHBondContact O-N 2.67Å; A170-F173 PolarHBondContact O-N 2.83Å; I171-F173 PolarHBondContact O-N 2.96Å; F173-A175 VanDerWaalsContact C-N 3.33Å; F173-A175 PolarHBondContact O-N 3.02Å; F173-K176 WeakPolarHBondContact O-CB 3.39Å; F173-K176 PolarHBondContact O-N 3.45Å; F173-C177 VanDerWaalsContact CE2-SG 3.58Å; F173-C177 VanDerWaalsContact CZ-SG 3.54Å; F173-C177 PolarHBondContact O-N 3.22Å
174V96.1Very high91.3Very high1 Ų123.9 Ų23.91%0.00614%0.136CC..Hα-helixtrans-62.8-40.5-179.4172.30000111.1L156 L159 A170 I171 K176 C177 I178 L208 L212L156-V174 HydrophobicContact CD2-CG2 3.7Å; L159-V174 HydrophobicContact CD1-CG2 3.86Å; L159-V174 HydrophobicContact CD2-CG2 4.12Å; L159-V174 HydrophobicContact CG-CG2 4.1Å; A170-V174 WeakPolarHBondContact O-CB 3.46Å; A170-V174 WeakPolarHBondContact O-CG2 3.29Å; A170-V174 PolarHBondContact O-N 3.02Å; I171-V174 PolarHBondContact O-N 3.39Å; V174-K176 VanDerWaalsContact C-N 3.27Å; V174-K176 PolarHBondContact O-N 3.03Å; V174-C177 WeakPolarHBondContact O-CB 3.42Å; V174-C177 PolarHBondContact O-N 3.33Å; V174-C177 VanDerWaalsContact O-N 3.09Å; V174-I178 HydrophobicContact CG1-CD1 3.98Å; V174-I178 HydrophobicContact CG1-CG1 4.42Å; V174-I178 VanDerWaalsContact O-CG1 3.3Å; V174-I178 WeakPolarHBondContact O-CG1 3.11Å; V174-I178 PolarHBondContact O-N 3.02Å; V174-L208 HydrophobicContact CG1-CB 3.97Å; V174-L208 HydrophobicContact CG1-CD1 4.45Å; V174-L208 HydrophobicContact CG1-CD2 4.14Å; V174-L208 HydrophobicContact CG1-CG 4.42Å; V174-L212 HydrophobicContact CG1-CD1 3.99Å; V174-L212 HydrophobicContact CG1-CD2 4.14Å; V174-L212 HydrophobicContact CG1-CG 3.95Å
175A95.3Very high91.1Very high4 Ų424.3 Ų24.33%0.03315%0.148CC..Hα-helixtrans-56.8-40.9173.300000112.3I171 F173 I178 L179 L212 M232 I236I171-A175 WeakPolarHBondContact O-CB 3.3Å; I171-A175 PolarHBondContact O-N 3.47Å; F173-A175 VanDerWaalsContact C-N 3.33Å; F173-A175 PolarHBondContact O-N 3.02Å; A175-I178 PolarHBondContact O-N 3.14Å; A175-L179 WeakPolarHBondContact O-CG 3.3Å; A175-L179 PolarHBondContact O-N 3.46Å; A175-L179 VanDerWaalsContact O-N 3.09Å; A175-L212 HydrophobicContact CB-CD1 4.47Å; A175-M232 HydrophobicContact CB-CB 3.98Å; A175-M232 HydrophobicContact CB-CG 4.33Å; A175-I236 HydrophobicContact CB-CD1 3.86Å; A175-I236 HydrophobicContact CB-CG1 4.35Å
176K94.7Very high91Very high80 Ų8023.2 Ų23.235%0.34813%0.134SC..Hα-helixtrans-71.2-33.9175.6-67.3-171.9-170.9-172.50113S120 P124 S172 F173 V174 L179 V180S120-K176 WeakPolarHBondContact O-CD 3.48Å; S120-K176 WeakPolarHBondContact O-CE 3.21Å; S120-K176 PolarHBondContact O-NZ 3.15Å; P124-K176 HydrophobicContact CG-CB 4.27Å; S172-K176 WeakPolarHBondContact O-CG 3.27Å; S172-K176 PolarHBondContact O-N 3.14Å; F173-K176 WeakPolarHBondContact O-CB 3.39Å; F173-K176 PolarHBondContact O-N 3.45Å; V174-K176 VanDerWaalsContact C-N 3.27Å; V174-K176 PolarHBondContact O-N 3.03Å; K176-L179 PolarHBondContact O-N 3.08Å; K176-V180 WeakPolarHBondContact O-CG1 3.35Å; K176-V180 PolarHBondContact O-N 3.23Å; K176-V180 VanDerWaalsContact O-N 3.16Å
177C93.8Very high90.5Very high0 Ų023.2 Ų23.20%013%0.133CC..Hα-helixtrans-60.7-48.5170.6-69.50000111.2F173 V174 L179 V180 H181 L208F173-C177 VanDerWaalsContact CE2-SG 3.58Å; F173-C177 VanDerWaalsContact CZ-SG 3.54Å; F173-C177 PolarHBondContact O-N 3.22Å; V174-C177 WeakPolarHBondContact O-CB 3.42Å; V174-C177 PolarHBondContact O-N 3.33Å; V174-C177 VanDerWaalsContact O-N 3.09Å; C177-L179 VanDerWaalsContact C-N 3.32Å; C177-L179 PolarHBondContact O-N 3.39Å; C177-V180 VanDerWaalsContact O-CG1 3.27Å; C177-V180 WeakPolarHBondContact O-CG1 3.37Å; C177-V180 PolarHBondContact O-N 2.72Å; C177-H181 VanDerWaalsContact O-CB 3.32Å; C177-H181 WeakPolarHBondContact O-CB 3.47Å; C177-H181 PolarHBondContact O-N 3.38Å; C177-L208 HydrophobicContact CB-CD1 4.14Å
178I94.8Very high89.8Confident0 Ų026.1 Ų26.10%015%0.152CC..Hα-helixtrans-56.3-47.7177.6-65.7162.1000110.6V174 A175 V180 H181 T182 L208 F209 L212 I236 W243V174-I178 HydrophobicContact CG1-CD1 3.98Å; V174-I178 HydrophobicContact CG1-CG1 4.42Å; V174-I178 VanDerWaalsContact O-CG1 3.3Å; V174-I178 WeakPolarHBondContact O-CG1 3.11Å; V174-I178 PolarHBondContact O-N 3.02Å; A175-I178 PolarHBondContact O-N 3.14Å; I178-V180 PolarHBondContact O-N 3.4Å; I178-H181 PolarHBondContact O-N 3.18Å; I178-T182 WeakPolarHBondContact O-CB 3.43Å; I178-T182 PolarHBondContact O-N 3.3Å; I178-T182 VanDerWaalsContact O-N 3.12Å; I178-T182 PolarHBondContact O-OG1 3.32Å; I178-L208 HydrophobicContact CD1-CB 4.03Å; I178-L208 HydrophobicContact CG1-CB 3.65Å; I178-F209 HydrophobicContact CD1-CB 4.07Å; I178-F209 HydrophobicContact CG1-CB 4.49Å; I178-F209 HydrophobicContact CG2-CB 4.28Å; I178-L212 HydrophobicContact CD1-CD1 3.63Å; I178-L212 HydrophobicContact CD1-CG 4.26Å; I178-I236 HydrophobicContact CD1-CD1 3.92Å; I178-I236 HydrophobicContact CG2-CD1 4.45Å; I178-I236 HydrophobicContact CG2-CG2 3.9Å; I178-W243 HydrophobicContact CG2-CH2 3.91Å; I178-W243 HydrophobicContact CG2-CZ3 3.61Å
179L93.4Very high89.1Confident24 Ų2425 Ų2513%0.12615%0.147CC..Hα-helixtrans-60.4-43.3-179.4-75.2175.7000112.2A175 K176 C177 D183 I236 E239 R240A175-L179 WeakPolarHBondContact O-CG 3.3Å; A175-L179 PolarHBondContact O-N 3.46Å; A175-L179 VanDerWaalsContact O-N 3.09Å; K176-L179 PolarHBondContact O-N 3.08Å; C177-L179 VanDerWaalsContact C-N 3.32Å; C177-L179 PolarHBondContact O-N 3.39Å; L179-D183 WeakPolarHBondContact O-CB 3.36Å; L179-D183 PolarHBondContact O-N 3.42Å; L179-I236 HydrophobicContact CD2-CG1 4.42Å; L179-I236 HydrophobicContact CG-CG1 4.34Å; L179-E239 HydrophobicContact CD2-CB 3.94Å; L179-E239 HydrophobicContact CD2-CG 4.35Å; L179-R240 PolarHBondContact O-NH2 2.89Å
180V90.5Very high87.9Confident0 Ų025.7 Ų25.70%016%0.157CC..Hα-helixtrans-76.3-36.9-179.969.70000112.8Y123 P124 L127 K176 C177 I178 T182 D183Y123-V180 HydrophobicContact CD1-CG1 4.4Å; Y123-V180 HydrophobicContact CE1-CG1 4.3Å; P124-V180 HydrophobicContact CB-CB 4.29Å; P124-V180 HydrophobicContact CB-CG1 4.42Å; P124-V180 HydrophobicContact CB-CG2 4.39Å; P124-V180 HydrophobicContact CG-CG1 4.5Å; L127-V180 HydrophobicContact CB-CG2 3.98Å; L127-V180 HydrophobicContact CD1-CB 4.41Å; L127-V180 HydrophobicContact CD1-CG1 3.65Å; L127-V180 HydrophobicContact CD1-CG2 3.83Å; K176-V180 WeakPolarHBondContact O-CG1 3.35Å; K176-V180 PolarHBondContact O-N 3.23Å; K176-V180 VanDerWaalsContact O-N 3.16Å; C177-V180 VanDerWaalsContact O-CG1 3.27Å; C177-V180 WeakPolarHBondContact O-CG1 3.37Å; C177-V180 PolarHBondContact O-N 2.72Å; I178-V180 PolarHBondContact O-N 3.4Å; V180-T182 PolarHBondContact O-N 3.35Å; V180-D183 PolarHBondContact O-N 3.34Å
181H89.6Confident86.7Confident0 Ų026.8 Ų26.80%016%0.163CC..Hα-helixtrans-67.7-23.1178.6-70.8173000113.9Y123 C177 I178 L201 D204Y123-H181 AromaticContact CE1-NE2 3.43Å; Y123-H181 WeakPolarHBondContact CE1-NE2 3.3Å; Y123-H181 AromaticContact CZ-NE2 3.61Å; Y123-H181 PolarHBondContact OH-NE2 2.88Å; C177-H181 VanDerWaalsContact O-CB 3.32Å; C177-H181 WeakPolarHBondContact O-CB 3.47Å; C177-H181 PolarHBondContact O-N 3.38Å; I178-H181 PolarHBondContact O-N 3.18Å; H181-L201 HydrophobicContact CB-CG 4.08Å; H181-D204 IonicContact CE1-OD2 3.71Å; H181-D204 PolarHBondContact CE1-OD2 3.39Å; H181-D204 IonicContact ND1-OD2 3.46Å; H181-D204 PolarHBondContact ND1-OD2 3.22Å
182T88.9Confident85.5Confident13 Ų1326.8 Ų26.88%0.0816%0.163CC..THydrogen-bonded Turntrans-110.910.3-179.462.20000113.5I178 V180 A184 L202 R240 W243I178-T182 WeakPolarHBondContact O-CB 3.43Å; I178-T182 PolarHBondContact O-N 3.3Å; I178-T182 VanDerWaalsContact O-N 3.12Å; I178-T182 PolarHBondContact O-OG1 3.32Å; V180-T182 PolarHBondContact O-N 3.35Å; T182-A184 PolarHBondContact O-N 3.35Å; T182-L202 HydrophobicContact CG2-CD2 4.14Å; T182-R240 PolarHBondContact O-NE 3.1Å; T182-R240 PolarHBondContact O-NH2 3.15Å; T182-R240 PolarHBondContact OG1-NE 2.76Å; T182-W243 HydrophobicContact CG2-CH2 3.54Å; T182-W243 HydrophobicContact CG2-CZ2 4Å
183D87Confident84.4Confident33 Ų3330.4 Ų30.418%0.17618%0.177CC..  trans-75.8107.7177.7-173.4-14.6000110.7L179 V180 S185 F186 L187 R240L179-D183 WeakPolarHBondContact O-CB 3.36Å; L179-D183 PolarHBondContact O-N 3.42Å; V180-D183 PolarHBondContact O-N 3.34Å; D183-S185 VanDerWaalsContact CG-OG 3.25Å; D183-S185 PolarHBondContact O-N 3.41Å; D183-S185 WeakPolarHBondContact OD1-CB 3.47Å; D183-S185 PolarHBondContact OD1-N 2.8Å; D183-S185 PolarHBondContact OD1-OG 3.45Å; D183-S185 PolarHBondContact OD2-OG 3.43Å; D183-F186 HydrophobicContact CB-CB 4.05Å; D183-F186 WeakPolarHBondContact O-CB 3.47Å; D183-F186 PolarHBondContact O-N 3.31Å; D183-F186 VanDerWaalsContact O-N 3.1Å; D183-L187 WeakPolarHBondContact O-CG 3.38Å; D183-L187 PolarHBondContact O-N 3.24Å; D183-R240 VanDerWaalsContact CA-NH2 3.3Å
184A80.6Confident83.1Confident59 Ų5937 Ų3749%0.48821%0.207SC..Hα-helixtrans-57.5-32.9179.200000112.8T182 F186 N188T182-A184 PolarHBondContact O-N 3.35Å; A184-F186 VanDerWaalsContact C-N 3.31Å; A184-F186 PolarHBondContact O-N 3.29Å; A184-N188 WeakPolarHBondContact O-CB 3.13Å; A184-N188 PolarHBondContact O-N 3.05Å; A184-N188 PolarHBondContact O-ND2 3.42Å
185S79.6Confident81.6Confident91 Ų9141.2 Ų41.264%0.63623%0.226SC*.Hα-helixtrans-67.7-35.5179.570.10000112.1D183D183-S185 VanDerWaalsContact CG-OG 3.25Å; D183-S185 PolarHBondContact O-N 3.41Å; D183-S185 WeakPolarHBondContact OD1-CB 3.47Å; D183-S185 PolarHBondContact OD1-N 2.8Å; D183-S185 PolarHBondContact OD1-OG 3.45Å; D183-S185 PolarHBondContact OD2-OG 3.43Å
186F80.6Confident80.4Confident6 Ų643.3 Ų43.33%0.02623%0.234CC..Hα-helixtrans-74.5-49.2176.1164-102.8000111.4L127 A131 D183 A184 N188 S189 V192 L201L127-F186 HydrophobicContact CB-CE2 3.89Å; L127-F186 HydrophobicContact CB-CZ 3.95Å; L127-F186 HydrophobicContact CD2-CZ 3.96Å; L127-F186 HydrophobicContact CG-CZ 4.41Å; L127-F186 WeakPolarHBondContact O-CE2 3.3Å; A131-F186 HydrophobicContact CB-CD2 3.79Å; A131-F186 HydrophobicContact CB-CE2 4.12Å; D183-F186 HydrophobicContact CB-CB 4.05Å; D183-F186 WeakPolarHBondContact O-CB 3.47Å; D183-F186 PolarHBondContact O-N 3.31Å; D183-F186 VanDerWaalsContact O-N 3.1Å; A184-F186 VanDerWaalsContact C-N 3.31Å; A184-F186 PolarHBondContact O-N 3.29Å; F186-N188 VanDerWaalsContact C-N 3.32Å; F186-N188 PolarHBondContact O-N 3.01Å; F186-S189 VanDerWaalsContact O-CB 3.32Å; F186-S189 WeakPolarHBondContact O-CB 3.39Å; F186-S189 PolarHBondContact O-N 2.73Å; F186-S189 VanDerWaalsContact O-N 3.09Å; F186-S189 PolarHBondContact O-OG 3.1Å; F186-V192 HydrophobicContact CD2-CG2 3.84Å; F186-V192 HydrophobicContact CE1-CG1 4.04Å; F186-V192 HydrophobicContact CE1-CG2 4.28Å; F186-V192 HydrophobicContact CE2-CB 4.5Å; F186-V192 HydrophobicContact CE2-CG1 4.46Å; F186-V192 HydrophobicContact CE2-CG2 3.27Å; F186-V192 HydrophobicContact CZ-CB 4.42Å; F186-V192 HydrophobicContact CZ-CG1 3.92Å; F186-V192 HydrophobicContact CZ-CG2 3.53Å; F186-V192 WeakPolarHBondContact O-CG2 3.43Å; F186-L201 HydrophobicContact CE1-CD2 3.59Å; F186-L201 HydrophobicContact CZ-CD2 4.39Å
187L78.5Confident79.5Confident5 Ų544.9 Ų44.93%0.02625%0.246CC..Hα-helixtrans-62.4-37.7-177.7-66.2172.7000112.7D183 S189 E198 L201 L202D183-L187 WeakPolarHBondContact O-CG 3.38Å; D183-L187 PolarHBondContact O-N 3.24Å; L187-S189 PolarHBondContact O-N 3.36Å; L187-E198 HydrophobicContact CB-CG 4.3Å; L187-E198 HydrophobicContact CD2-CG 4.25Å; L187-L201 HydrophobicContact CD2-CD2 3.88Å; L187-L202 HydrophobicContact CD1-CD1 4.1Å; L187-L202 HydrophobicContact CD1-CD2 3.42Å; L187-L202 VanDerWaalsContact CD1-CD2 3.42Å; L187-L202 HydrophobicContact CD1-CG 3.66Å
188N77.6Confident78.7Confident100 Ų10047.8 Ų47.854%0.53526%0.26SS..THydrogen-bonded Turntrans-77.7-0.5178.4-68.9-35.8000113.8A184 F186A184-N188 WeakPolarHBondContact O-CB 3.13Å; A184-N188 PolarHBondContact O-N 3.05Å; A184-N188 PolarHBondContact O-ND2 3.42Å; F186-N188 VanDerWaalsContact C-N 3.32Å; F186-N188 PolarHBondContact O-N 3.01Å
189S76.8Confident78Confident13 Ų1351.8 Ų51.89%0.09129%0.286CS..SBendtrans-70.5138177.474.30000110.4A131 F186 L187 N191 V192 Q193A131-S189 WeakPolarHBondContact CB-OG 3.48Å; F186-S189 VanDerWaalsContact O-CB 3.32Å; F186-S189 WeakPolarHBondContact O-CB 3.39Å; F186-S189 PolarHBondContact O-N 2.73Å; F186-S189 VanDerWaalsContact O-N 3.09Å; F186-S189 PolarHBondContact O-OG 3.1Å; L187-S189 PolarHBondContact O-N 3.36Å; S189-N191 PolarHBondContact O-N 3.49Å; S189-N191 VanDerWaalsContact O-N 3.16Å; S189-V192 PolarHBondContact O-N 2.98Å; S189-V192 VanDerWaalsContact OG-CB 3.32Å; S189-V192 WeakPolarHBondContact OG-CB 3.43Å; S189-V192 WeakPolarHBondContact OG-CG2 3.21Å; S189-V192 PolarHBondContact OG-N 3.1Å; S189-Q193 PolarHBondContact O-N 2.69Å
190P69.4Low77.6Confident78 Ų7853.1 Ų53.151%0.50630%0.3SS..Hα-helixtrans-61.6-30.5-17423.8-34.1000112.6Q194P190-Q194 WeakPolarHBondContact O-CG 3.27Å; P190-Q194 PolarHBondContact O-N 3.11Å
191N69.3Low77.3Confident23 Ų2354 Ų5412%0.12331%0.305CS..Hα-helixtrans-68.3-43.6175.8-70.3-13000111.2K132 S189 Q193 Q194 F195K132-N191 PolarHBondContact O-ND2 3.36Å; S189-N191 PolarHBondContact O-N 3.49Å; S189-N191 VanDerWaalsContact O-N 3.16Å; N191-Q193 VanDerWaalsContact C-N 3.35Å; N191-Q193 PolarHBondContact O-N 3.39Å; N191-Q194 PolarHBondContact O-N 2.99Å; N191-F195 WeakPolarHBondContact O-CD2 3.37Å; N191-F195 PolarHBondContact O-N 2.77Å
192V69.5Low77.1Confident1 Ų157.1 Ų57.11%0.00632%0.321CS..Hα-helixtrans-66.1-40-177.9172.30000111.1A131 F186 S189 Q194 F195 F196A131-V192 HydrophobicContact CB-CG2 4.12Å; F186-V192 HydrophobicContact CD2-CG2 3.84Å; F186-V192 HydrophobicContact CE1-CG1 4.04Å; F186-V192 HydrophobicContact CE1-CG2 4.28Å; F186-V192 HydrophobicContact CE2-CB 4.5Å; F186-V192 HydrophobicContact CE2-CG1 4.46Å; F186-V192 HydrophobicContact CE2-CG2 3.27Å; F186-V192 HydrophobicContact CZ-CB 4.42Å; F186-V192 HydrophobicContact CZ-CG1 3.92Å; F186-V192 HydrophobicContact CZ-CG2 3.53Å; F186-V192 WeakPolarHBondContact O-CG2 3.43Å; S189-V192 PolarHBondContact O-N 2.98Å; S189-V192 VanDerWaalsContact OG-CB 3.32Å; S189-V192 WeakPolarHBondContact OG-CB 3.43Å; S189-V192 WeakPolarHBondContact OG-CG2 3.21Å; S189-V192 PolarHBondContact OG-N 3.1Å; V192-Q194 PolarHBondContact O-N 3.12Å; V192-F195 PolarHBondContact O-N 3.35Å; V192-F196 HydrophobicContact CB-CD2 4.36Å; V192-F196 HydrophobicContact CG1-CB 4.08Å; V192-F196 HydrophobicContact CG1-CD2 3.95Å; V192-F196 HydrophobicContact CG1-CG 4.36Å; V192-F196 HydrophobicContact CG2-CD2 4.46Å; V192-F196 WeakPolarHBondContact O-CB 3.42Å; V192-F196 PolarHBondContact O-N 3.17Å
193Q70.2Confident77.1Confident107 Ų10760.1 Ų60.150%0.534%0.343SS..Hα-helixtrans-63.9-23.6176.9-68.3-172-21.800114S189 N191S189-Q193 PolarHBondContact O-N 2.69Å; N191-Q193 VanDerWaalsContact C-N 3.35Å; N191-Q193 PolarHBondContact O-N 3.39Å
194Q68.1Low77.2Confident138 Ų13860.6 Ų60.665%0.64535%0.346SS*.Hα-helixtrans-81.2-33.3176.3-73179.44.900113.2P190 N191 V192P190-Q194 WeakPolarHBondContact O-CG 3.27Å; P190-Q194 PolarHBondContact O-N 3.11Å; N191-Q194 PolarHBondContact O-N 2.99Å; V192-Q194 PolarHBondContact O-N 3.12Å
195F65.5Low77.8Confident91 Ų9157.8 Ų57.840%0.39932%0.323SS..Hα-helixtrans-106.5-25.8-170.8-69.3-71.9000114.2R135 N191 V192R135-F195 VanDerWaalsContact NH2-CE2 3.31Å; R135-F195 VanDerWaalsContact NH2-CZ 3.34Å; N191-F195 WeakPolarHBondContact O-CD2 3.37Å; N191-F195 PolarHBondContact O-N 2.77Å; V192-F195 PolarHBondContact O-N 3.35Å
196F70.2Confident78.4Confident47 Ų4756.6 Ų56.621%0.20630%0.304CS..SBendtrans-116138.2-175.2-62.2-79.9000110.9L130 L145 V192 E198L130-F196 HydrophobicContact CD1-CE2 4.46Å; L130-F196 HydrophobicContact CD1-CZ 4.24Å; L145-F196 HydrophobicContact CD2-CD1 4.46Å; L145-F196 HydrophobicContact CD2-CE1 3.18Å; L145-F196 HydrophobicContact CD2-CE2 4.27Å; L145-F196 HydrophobicContact CD2-CZ 3.06Å; V192-F196 HydrophobicContact CB-CD2 4.36Å; V192-F196 HydrophobicContact CG1-CB 4.08Å; V192-F196 HydrophobicContact CG1-CD2 3.95Å; V192-F196 HydrophobicContact CG1-CG 4.36Å; V192-F196 HydrophobicContact CG2-CD2 4.46Å; V192-F196 WeakPolarHBondContact O-CB 3.42Å; V192-F196 PolarHBondContact O-N 3.17Å; F196-E198 VanDerWaalsContact C-N 3.3Å; F196-E198 PolarHBondContact O-N 2.94Å
197N75.9Confident79.1Confident113 Ų11358.9 Ų58.960%0.60432%0.321SS*.  trans-73.690.7165-167.96.2000107.7P199 A200 L201N197-P199 VanDerWaalsContact C-CD 3.45Å; N197-P199 VanDerWaalsContact C-N 3.32Å; N197-P199 WeakPolarHBondContact OD1-CD 3.49Å; N197-P199 WeakPolarHBondContact OD1-CG 3.42Å; N197-A200 HydrophobicContact CB-CB 3.87Å; N197-A200 WeakPolarHBondContact O-CA 3.15Å; N197-A200 VanDerWaalsContact O-CB 3.3Å; N197-A200 WeakPolarHBondContact O-CB 3.31Å; N197-A200 PolarHBondContact O-N 2.63Å; N197-L201 PolarHBondContact O-N 3.25Å; N197-L201 VanDerWaalsContact O-N 3.16Å
198E77.2Confident79.9Confident61 Ų6159 Ų5929%0.28532%0.322SS..Hα-helixtrans-40-51.5177.9-179.6-175.7168.600113.4L187 F196 A200 L201 L202L187-E198 HydrophobicContact CB-CG 4.3Å; L187-E198 HydrophobicContact CD2-CG 4.25Å; F196-E198 VanDerWaalsContact C-N 3.3Å; F196-E198 PolarHBondContact O-N 2.94Å; E198-A200 VanDerWaalsContact C-N 3.27Å; E198-A200 PolarHBondContact O-N 3.22Å; E198-L201 PolarHBondContact O-N 3.42Å; E198-L202 HydrophobicContact CG-CD1 4.11Å; E198-L202 PolarHBondContact O-N 3.12Å
199P80.7Confident80.7Confident84 Ų8454.3 Ų54.355%0.54530%0.296SS..Hα-helixtrans-65.3-28179.325.5-36000113.3N197 S203N197-P199 VanDerWaalsContact C-CD 3.45Å; N197-P199 VanDerWaalsContact C-N 3.32Å; N197-P199 WeakPolarHBondContact OD1-CD 3.49Å; N197-P199 WeakPolarHBondContact OD1-CG 3.42Å; P199-S203 WeakPolarHBondContact O-CB 3.19Å; P199-S203 PolarHBondContact O-N 3.11Å
200A83.1Confident81.5Confident52 Ų5257.3 Ų57.343%0.4331%0.309SS..Hα-helixtrans-70.1-39.2175.200000111.6N197 E198 S203 D204N197-A200 HydrophobicContact CB-CB 3.87Å; N197-A200 WeakPolarHBondContact O-CA 3.15Å; N197-A200 VanDerWaalsContact O-CB 3.3Å; N197-A200 WeakPolarHBondContact O-CB 3.31Å; N197-A200 PolarHBondContact O-N 2.63Å; E198-A200 VanDerWaalsContact C-N 3.27Å; E198-A200 PolarHBondContact O-N 3.22Å; A200-S203 PolarHBondContact O-N 3.49Å; A200-D204 WeakPolarHBondContact O-CB 3.44Å; A200-D204 PolarHBondContact O-N 3.09Å
201L84.7Confident82.7Confident20 Ų2057.3 Ų57.311%0.10530%0.301CS..Hα-helixtrans-71.9-40178.6-157.674.4000111.8H181 F186 L187 N197 E198 S203 D204 G205H181-L201 HydrophobicContact CB-CG 4.08Å; F186-L201 HydrophobicContact CE1-CD2 3.59Å; F186-L201 HydrophobicContact CZ-CD2 4.39Å; L187-L201 HydrophobicContact CD2-CD2 3.88Å; N197-L201 PolarHBondContact O-N 3.25Å; N197-L201 VanDerWaalsContact O-N 3.16Å; E198-L201 PolarHBondContact O-N 3.42Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-D204 PolarHBondContact O-N 2.89Å; L201-G205 PolarHBondContact O-N 2.94Å
202L86.5Confident83.9Confident64 Ų6456.2 Ų56.234%0.33530%0.295SS..Hα-helixtrans-61.1-42.1171.5-79172.1000111.7T182 L187 E198 G205 R206T182-L202 HydrophobicContact CG2-CD2 4.14Å; L187-L202 HydrophobicContact CD1-CD1 4.1Å; L187-L202 HydrophobicContact CD1-CD2 3.42Å; L187-L202 VanDerWaalsContact CD1-CD2 3.42Å; L187-L202 HydrophobicContact CD1-CG 3.66Å; E198-L202 HydrophobicContact CG-CD1 4.11Å; E198-L202 PolarHBondContact O-N 3.12Å; L202-G205 PolarHBondContact O-N 2.99Å; L202-R206 VanDerWaalsContact O-CB 3.31Å; L202-R206 WeakPolarHBondContact O-CB 3.3Å; L202-R206 PolarHBondContact O-N 3.19Å
203S88.6Confident85Confident77 Ų7756.2 Ų56.254%0.53830%0.295SS..Hα-helixtrans-62.9-43.6175.4-174.50000111.9P199 A200 L201 R206 S207P199-S203 WeakPolarHBondContact O-CB 3.19Å; P199-S203 PolarHBondContact O-N 3.11Å; A200-S203 PolarHBondContact O-N 3.49Å; L201-S203 VanDerWaalsContact C-N 3.32Å; S203-R206 PolarHBondContact O-N 3.43Å; S203-S207 WeakPolarHBondContact O-CB 3.34Å; S203-S207 PolarHBondContact O-N 2.65Å; S203-S207 PolarHBondContact O-OG 2.89Å
204D89.6Confident86Confident43 Ų4355.6 Ų55.623%0.2330%0.295CS..Hα-helixtrans-59.6-52.2174.7-175.434.1000110.6K152 H181 A200 L201 R206 S207 L208K152-D204 VanDerWaalsContact NZ-CG 3.28Å; K152-D204 IonicContact NZ-OD1 2.86Å; K152-D204 PolarHBondContact NZ-OD1 3.4Å; K152-D204 VanDerWaalsContact NZ-OD1 3.08Å; K152-D204 IonicContact NZ-OD2 3.67Å; K152-D204 PolarHBondContact NZ-OD2 3.1Å; H181-D204 IonicContact CE1-OD2 3.71Å; H181-D204 PolarHBondContact CE1-OD2 3.39Å; H181-D204 IonicContact ND1-OD2 3.46Å; H181-D204 PolarHBondContact ND1-OD2 3.22Å; A200-D204 WeakPolarHBondContact O-CB 3.44Å; A200-D204 PolarHBondContact O-N 3.09Å; L201-D204 PolarHBondContact O-N 2.89Å; D204-R206 VanDerWaalsContact C-N 3.29Å; D204-R206 PolarHBondContact O-N 2.95Å; D204-S207 PolarHBondContact O-N 3.12Å; D204-S207 PolarHBondContact O-OG 3.05Å; D204-L208 WeakPolarHBondContact O-CG 3.25Å; D204-L208 PolarHBondContact O-N 3.23Å
205G91.8Very high87.1Confident0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-58.2-38.3176.600000113.5L201 L202 F209L201-G205 PolarHBondContact O-N 2.94Å; L202-G205 PolarHBondContact O-N 2.99Å; G205-F209 PolarHBondContact O-N 3Å; G205-F209 VanDerWaalsContact O-N 3.14Å
206R93.7Very high88.2Confident65 Ų6545.9 Ų45.925%0.24525%0.251CS..Hα-helixtrans-68.6-45.2175.9178.661-171.2178.38.2112L202 S203 D204 L208 F209 E210 W243 E246L202-R206 VanDerWaalsContact O-CB 3.31Å; L202-R206 WeakPolarHBondContact O-CB 3.3Å; L202-R206 PolarHBondContact O-N 3.19Å; S203-R206 PolarHBondContact O-N 3.43Å; D204-R206 VanDerWaalsContact C-N 3.29Å; D204-R206 PolarHBondContact O-N 2.95Å; R206-L208 VanDerWaalsContact C-N 3.28Å; R206-L208 PolarHBondContact O-N 3.23Å; R206-F209 WeakPolarHBondContact O-CB 3.48Å; R206-F209 PolarHBondContact O-N 3.33Å; R206-F209 VanDerWaalsContact O-N 3.12Å; R206-E210 IonicContact CZ-OE1 3.39Å; R206-E210 IonicContact NE-OE1 2.83Å; R206-E210 PolarHBondContact NE-OE1 3.19Å; R206-E210 IonicContact NH2-OE1 3.09Å; R206-E210 PolarHBondContact NH2-OE1 3.32Å; R206-E210 VanDerWaalsContact NH2-OE1 3.09Å; R206-E210 PolarHBondContact O-N 2.67Å; R206-W243 VanDerWaalsContact NH1-CD1 3.28Å; R206-E246 IonicContact CZ-OE1 3.91Å; R206-E246 IonicContact CZ-OE2 3.19Å; R206-E246 IonicContact NH1-OE2 2.77Å; R206-E246 PolarHBondContact NH1-OE2 3.27Å; R206-E246 VanDerWaalsContact NH2-CD 3.26Å; R206-E246 IonicContact NH2-OE1 3Å; R206-E246 PolarHBondContact NH2-OE1 2.63Å; R206-E246 IonicContact NH2-OE2 2.76Å; R206-E246 PolarHBondContact NH2-OE2 2.76Å
207S93.9Very high88.8Confident55 Ų5546.5 Ų46.539%0.38526%0.261SS..Hα-helixtrans-61.8-36.8178.274.50000112.4S203 D204 E210 K211S203-S207 WeakPolarHBondContact O-CB 3.34Å; S203-S207 PolarHBondContact O-N 2.65Å; S203-S207 PolarHBondContact O-OG 2.89Å; D204-S207 PolarHBondContact O-N 3.12Å; D204-S207 PolarHBondContact O-OG 3.05Å; S207-E210 PolarHBondContact O-N 3.23Å; S207-K211 WeakPolarHBondContact O-CB 3.41Å; S207-K211 PolarHBondContact O-N 2.95Å
208L95Very high89.2Confident8 Ų843 Ų434%0.04225%0.246CC..Hα-helixtrans-67.9-37.8174.7-70.8176.9000112.1L156 V174 C177 I178 D204 R206 K211 L212L156-L208 HydrophobicContact CD1-CD2 4.34Å; L156-L208 HydrophobicContact CD2-CD2 3.59Å; V174-L208 HydrophobicContact CG1-CB 3.97Å; V174-L208 HydrophobicContact CG1-CD1 4.45Å; V174-L208 HydrophobicContact CG1-CD2 4.14Å; V174-L208 HydrophobicContact CG1-CG 4.42Å; C177-L208 HydrophobicContact CB-CD1 4.14Å; I178-L208 HydrophobicContact CD1-CB 4.03Å; I178-L208 HydrophobicContact CG1-CB 3.65Å; D204-L208 WeakPolarHBondContact O-CG 3.25Å; D204-L208 PolarHBondContact O-N 3.23Å; R206-L208 VanDerWaalsContact C-N 3.28Å; R206-L208 PolarHBondContact O-N 3.23Å; L208-K211 PolarHBondContact O-N 3.11Å; L208-L212 PolarHBondContact O-N 3.25Å
209F95.4Very high89.2Confident0 Ų047.6 Ų47.60%027%0.268CS..Hα-helixtrans-64.6-45.6174.8176.9-101.7000111.7I178 G205 R206 K211 L212 I213 L233 I236 V237 W243I178-F209 HydrophobicContact CD1-CB 4.07Å; I178-F209 HydrophobicContact CG1-CB 4.49Å; I178-F209 HydrophobicContact CG2-CB 4.28Å; G205-F209 PolarHBondContact O-N 3Å; G205-F209 VanDerWaalsContact O-N 3.14Å; R206-F209 WeakPolarHBondContact O-CB 3.48Å; R206-F209 PolarHBondContact O-N 3.33Å; R206-F209 VanDerWaalsContact O-N 3.12Å; F209-K211 VanDerWaalsContact C-N 3.3Å; F209-K211 PolarHBondContact O-N 3.49Å; F209-L212 PolarHBondContact O-N 2.87Å; F209-L212 VanDerWaalsContact O-N 3.16Å; F209-I213 HydrophobicContact CD1-CD1 4.09Å; F209-I213 HydrophobicContact CD1-CG1 4.43Å; F209-I213 HydrophobicContact CE1-CD1 3.25Å; F209-I213 HydrophobicContact CE1-CG1 3.98Å; F209-I213 HydrophobicContact CE2-CD1 4.05Å; F209-I213 HydrophobicContact CE2-CG1 4.2Å; F209-I213 HydrophobicContact CZ-CD1 3.24Å; F209-I213 HydrophobicContact CZ-CG1 3.88Å; F209-I213 PolarHBondContact O-N 3.36Å; F209-L233 HydrophobicContact CD2-CD2 4Å; F209-L233 HydrophobicContact CE2-CD2 3.64Å; F209-L233 HydrophobicContact CZ-CD2 4.5Å; F209-I236 HydrophobicContact CD2-CD1 4.5Å; F209-I236 HydrophobicContact CD2-CG2 3.89Å; F209-I236 HydrophobicContact CE2-CG2 3.94Å; F209-V237 HydrophobicContact CE2-CG2 4.02Å; F209-V237 HydrophobicContact CZ-CG2 4.03Å; F209-W243 HydrophobicContact CB-CH2 4.49Å; F209-W243 HydrophobicContact CB-CZ3 4.18Å; F209-W243 HydrophobicContact CD1-CD2 4.15Å; F209-W243 HydrophobicContact CD1-CE3 4.03Å; F209-W243 HydrophobicContact CD1-CG 4.43Å; F209-W243 AromaticContact CD2-CE3 3.69Å; F209-W243 HydrophobicContact CD2-CE3 3.69Å; F209-W243 AromaticContact CD2-CZ3 3.9Å; F209-W243 HydrophobicContact CD2-CZ3 3.9Å; F209-W243 HydrophobicContact CE1-CB 3.7Å; F209-W243 HydrophobicContact CE1-CD2 4.05Å; F209-W243 HydrophobicContact CE1-CE3 4.05Å; F209-W243 AromaticContact CE1-CG 3.93Å; F209-W243 HydrophobicContact CE1-CG 3.93Å; F209-W243 HydrophobicContact CE2-CB 4.41Å; F209-W243 HydrophobicContact CE2-CD2 4.49Å; F209-W243 AromaticContact CE2-CE3 3.73Å; F209-W243 HydrophobicContact CE2-CE3 3.73Å; F209-W243 HydrophobicContact CE2-CZ3 4.38Å; F209-W243 HydrophobicContact CG-CD2 4.38Å; F209-W243 AromaticContact CG-CE3 3.81Å; F209-W243 HydrophobicContact CG-CE3 3.81Å; F209-W243 AromaticContact CG-CZ3 3.94Å; F209-W243 HydrophobicContact CG-CZ3 3.94Å; F209-W243 HydrophobicContact CZ-CB 3.55Å; F209-W243 HydrophobicContact CZ-CD2 4.21Å; F209-W243 AromaticContact CZ-CE3 3.89Å; F209-W243 HydrophobicContact CZ-CE3 3.89Å; F209-W243 HydrophobicContact CZ-CG 4.13Å
210E94.1Very high89Confident77 Ų7748.1 Ų48.136%0.3627%0.273SS..Hα-helixtrans-58.2-44174.3-72.8172.8-175.300110.9R206 S207 L212 I213 D214R206-E210 IonicContact CZ-OE1 3.39Å; R206-E210 IonicContact NE-OE1 2.83Å; R206-E210 PolarHBondContact NE-OE1 3.19Å; R206-E210 IonicContact NH2-OE1 3.09Å; R206-E210 PolarHBondContact NH2-OE1 3.32Å; R206-E210 VanDerWaalsContact NH2-OE1 3.09Å; R206-E210 PolarHBondContact O-N 2.67Å; S207-E210 PolarHBondContact O-N 3.23Å; E210-L212 PolarHBondContact O-N 3.23Å; E210-I213 PolarHBondContact O-N 2.91Å; E210-D214 PolarHBondContact O-N 3.06Å
211K93Very high89Confident78 Ų7845.9 Ų45.934%0.33926%0.255SS..Hα-helixtrans-59.5-42.6175.3-167171.4-177.5-176.90112.5L159 D160 S207 L208 F209 M215L159-K211 HydrophobicContact CD1-CD 3.97Å; D160-K211 IonicContact OD2-NZ 2.93Å; D160-K211 PolarHBondContact OD2-NZ 3.47Å; S207-K211 WeakPolarHBondContact O-CB 3.41Å; S207-K211 PolarHBondContact O-N 2.95Å; L208-K211 PolarHBondContact O-N 3.11Å; F209-K211 VanDerWaalsContact C-N 3.3Å; F209-K211 PolarHBondContact O-N 3.49Å; K211-M215 WeakPolarHBondContact O-CG 3.2Å; K211-M215 PolarHBondContact O-N 2.95Å
212L94.8Very high89.1Confident0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-67.1-42.1175.6-71.8-171.5000112L159 I171 V174 A175 I178 L208 F209 E210 D214 M215 L229 L233 I236L159-L212 HydrophobicContact CD2-CD2 3.77Å; I171-L212 HydrophobicContact CB-CD2 4.46Å; I171-L212 HydrophobicContact CG1-CD2 4.21Å; I171-L212 HydrophobicContact CG2-CD2 4.2Å; V174-L212 HydrophobicContact CG1-CD1 3.99Å; V174-L212 HydrophobicContact CG1-CD2 4.14Å; V174-L212 HydrophobicContact CG1-CG 3.95Å; A175-L212 HydrophobicContact CB-CD1 4.47Å; I178-L212 HydrophobicContact CD1-CD1 3.63Å; I178-L212 HydrophobicContact CD1-CG 4.26Å; L208-L212 PolarHBondContact O-N 3.25Å; F209-L212 PolarHBondContact O-N 2.87Å; F209-L212 VanDerWaalsContact O-N 3.16Å; E210-L212 PolarHBondContact O-N 3.23Å; L212-D214 PolarHBondContact O-N 3.47Å; L212-M215 HydrophobicContact CD2-SD 4.24Å; L212-M215 WeakPolarHBondContact O-CB 3.47Å; L212-M215 PolarHBondContact O-N 2.97Å; L212-L229 HydrophobicContact CD2-CD1 4.24Å; L212-L229 WeakPolarHBondContact O-CD2 3.44Å; L212-L233 HydrophobicContact CB-CD2 4.16Å; L212-I236 HydrophobicContact CD1-CD1 4.21Å
213I92.9Very high89.1Confident0 Ų044.8 Ų44.80%025%0.252CS..Hα-helixtrans-61.9-43.6177.9-82.3-161.7000111.3F209 E210 M215 L216 L233 E246 K250F209-I213 HydrophobicContact CD1-CD1 4.09Å; F209-I213 HydrophobicContact CD1-CG1 4.43Å; F209-I213 HydrophobicContact CE1-CD1 3.25Å; F209-I213 HydrophobicContact CE1-CG1 3.98Å; F209-I213 HydrophobicContact CE2-CD1 4.05Å; F209-I213 HydrophobicContact CE2-CG1 4.2Å; F209-I213 HydrophobicContact CZ-CD1 3.24Å; F209-I213 HydrophobicContact CZ-CG1 3.88Å; F209-I213 PolarHBondContact O-N 3.36Å; E210-I213 PolarHBondContact O-N 2.91Å; I213-M215 PolarHBondContact O-N 2.73Å; I213-L216 VanDerWaalsContact O-CB 3.29Å; I213-L216 WeakPolarHBondContact O-CB 3.33Å; I213-L216 PolarHBondContact O-N 3.32Å; I213-L233 HydrophobicContact CG1-CD1 4.19Å; I213-L233 HydrophobicContact CG1-CD2 3.86Å; I213-E246 HydrophobicContact CD1-CB 4.34Å; I213-E246 HydrophobicContact CD1-CG 3.82Å; I213-K250 HydrophobicContact CG2-CB 4.4Å; I213-K250 HydrophobicContact CG2-CD 3.72Å; I213-K250 HydrophobicContact CG2-CG 3.62Å
214D90.4Very high89Confident94 Ų9442.8 Ų42.850%0.50324%0.238SC..Hα-helixtrans-66.1-25-179.2-76.5-21.4000113E210 L212 L216 S217 K250E210-D214 PolarHBondContact O-N 3.06Å; L212-D214 PolarHBondContact O-N 3.47Å; D214-L216 PolarHBondContact O-N 3.18Å; D214-S217 PolarHBondContact O-N 3.23Å; D214-S217 VanDerWaalsContact O-N 3.09Å; D214-K250 IonicContact OD1-NZ 3.93Å; D214-K250 PolarHBondContact OD1-NZ 3.5Å
215M91.1Very high89Confident24 Ų2440.9 Ų40.912%0.11823%0.228CC..Hα-helixtrans-65.1-22171.8-69.917874.800113.4L159 R167 I171 K211 L212 I213 S217 S218 L229L159-M215 HydrophobicContact CD2-SD 4.03Å; R167-M215 HydrophobicContact CG-CE 4.26Å; I171-M215 HydrophobicContact CD1-CE 4.2Å; I171-M215 HydrophobicContact CG1-CE 4.41Å; K211-M215 WeakPolarHBondContact O-CG 3.2Å; K211-M215 PolarHBondContact O-N 2.95Å; L212-M215 HydrophobicContact CD2-SD 4.24Å; L212-M215 WeakPolarHBondContact O-CB 3.47Å; L212-M215 PolarHBondContact O-N 2.97Å; I213-M215 PolarHBondContact O-N 2.73Å; M215-S217 PolarHBondContact O-N 2.99Å; M215-S218 WeakPolarHBondContact O-CB 3.29Å; M215-S218 PolarHBondContact O-N 3.4Å; M215-L229 HydrophobicContact CB-CD1 3.76Å; M215-L229 HydrophobicContact CE-CD1 4.47Å; M215-L229 HydrophobicContact SD-CD1 4.17Å
216L89.1Confident88.9Confident1 Ų141 Ų411%0.00523%0.229CC..Hα-helixtrans-61.9-35.1171.4-72.5170.9000111.3I213 D214 S218 L226 L229 L230 L233 L247 K250 L254I213-L216 VanDerWaalsContact O-CB 3.29Å; I213-L216 WeakPolarHBondContact O-CB 3.33Å; I213-L216 PolarHBondContact O-N 3.32Å; D214-L216 PolarHBondContact O-N 3.18Å; L216-S218 VanDerWaalsContact C-N 3.29Å; L216-S218 PolarHBondContact O-N 3.46Å; L216-L226 HydrophobicContact CD2-CD2 4.21Å; L216-L229 HydrophobicContact CB-CD2 4.4Å; L216-L229 HydrophobicContact CD1-CD2 4.24Å; L216-L229 HydrophobicContact CD2-CD2 3.24Å; L216-L229 HydrophobicContact CG-CD2 3.31Å; L216-L230 HydrophobicContact CD2-CD2 3.91Å; L216-L230 HydrophobicContact CD2-CG 4.05Å; L216-L233 HydrophobicContact CD1-CD1 3.68Å; L216-L233 HydrophobicContact CG-CD1 4.1Å; L216-L247 HydrophobicContact CD1-CD1 4.21Å; L216-K250 HydrophobicContact CD1-CB 4.15Å; L216-L254 HydrophobicContact CD2-CD2 3.88Å; L216-L254 WeakPolarHBondContact O-CD1 3.43Å
217S84.3Confident88.7Confident60 Ų6040 Ų4042%0.4223%0.228SC..THydrogen-bonded Turntrans-861.4-177.9-540000113.2D214 M215 Q219D214-S217 PolarHBondContact O-N 3.23Å; D214-S217 VanDerWaalsContact O-N 3.09Å; M215-S217 PolarHBondContact O-N 2.99Å; S217-Q219 PolarHBondContact O-N 3.23Å
218S84.1Confident88.5Confident40 Ų4039.2 Ų39.228%0.2822%0.221SC..  trans-68.9123.4179.7169.20000111.9M215 L216 S220 A221M215-S218 WeakPolarHBondContact O-CB 3.29Å; M215-S218 PolarHBondContact O-N 3.4Å; L216-S218 VanDerWaalsContact C-N 3.29Å; L216-S218 PolarHBondContact O-N 3.46Å; S218-S220 PolarHBondContact O-N 2.98Å; S218-S220 PolarHBondContact OG-N 3.43Å; S218-S220 PolarHBondContact OG-OG 3.37Å; S218-S220 VanDerWaalsContact OG-OG 3.06Å; S218-A221 WeakPolarHBondContact O-CB 3.23Å; S218-A221 PolarHBondContact O-N 3.49Å; S218-A221 VanDerWaalsContact O-N 3.16Å
219Q76.1Confident88.4Confident158 Ų15839 Ų3974%0.73822%0.219SC*.THydrogen-bonded Turntrans-65.4-17.3177-63.7-178.916.900113.5S217S217-Q219 PolarHBondContact O-N 3.23Å
220S76.6Confident88.2Confident94 Ų9439.1 Ų39.166%0.65722%0.22SC*.THydrogen-bonded Turntrans-98.61.3178.561.60000113.4S218 T222S218-S220 PolarHBondContact O-N 2.98Å; S218-S220 PolarHBondContact OG-N 3.43Å; S218-S220 PolarHBondContact OG-OG 3.37Å; S218-S220 VanDerWaalsContact OG-OG 3.06Å; S220-T222 PolarHBondContact O-N 3.2Å
221A83.4Confident87.9Confident6 Ų639.2 Ų39.25%0.0522%0.223CC..  trans-64.5126.3-177.700000112S218 L226S218-A221 WeakPolarHBondContact O-CB 3.23Å; S218-A221 PolarHBondContact O-N 3.49Å; S218-A221 VanDerWaalsContact O-N 3.16Å; A221-L226 HydrophobicContact CB-CD1 4.45Å; A221-L226 HydrophobicContact CB-CD2 3.75Å; A221-L226 HydrophobicContact CB-CG 3.94Å
222T86.7Confident87.9Confident41 Ų4137.5 Ų37.525%0.25222%0.217SC..  trans-76.6155.4174.366.30000110.8E164 S220 S224 T225 L226E164-T222 WeakPolarHBondContact OE1-CB 3.43Å; E164-T222 PolarHBondContact OE1-OG1 3.35Å; S220-T222 PolarHBondContact O-N 3.2Å; T222-S224 PolarHBondContact O-N 3.34Å; T222-S224 PolarHBondContact OG1-OG 2.95Å; T222-T225 WeakPolarHBondContact O-CB 3Å; T222-T225 PolarHBondContact O-N 2.55Å; T222-T225 PolarHBondContact OG1-N 2.66Å; T222-T225 PolarHBondContact OG1-OG1 3.47Å; T222-L226 PolarHBondContact O-N 3.26Å
223S86.7Confident87.8Confident20 Ų2037.5 Ų37.514%0.1422%0.217CC..Hα-helixtrans-55.8-35.4177.358.90000114I227S223-I227 WeakPolarHBondContact O-CB 3.43Å; S223-I227 WeakPolarHBondContact O-CD1 3.17Å; S223-I227 WeakPolarHBondContact O-CG1 3.49Å; S223-I227 PolarHBondContact O-N 3.21Å
224S86.5Confident87.5Confident34 Ų3438.1 Ų38.124%0.23822%0.22CC..Hα-helixtrans-68.7-40.9177.878.50000111E164 T222 I227 V228E164-S224 VanDerWaalsContact CD-OG 3.31Å; E164-S224 PolarHBondContact OE1-OG 3.13Å; T222-S224 PolarHBondContact O-N 3.34Å; T222-S224 PolarHBondContact OG1-OG 2.95Å; S224-I227 PolarHBondContact O-N 3.16Å; S224-V228 WeakPolarHBondContact O-CG2 3.4Å; S224-V228 PolarHBondContact O-N 3.48Å
225T88.8Confident87.4Confident3 Ų341.3 Ų41.32%0.01823%0.225CC..Hα-helixtrans-60.7-49.5176.9-540000109.6R167 I171 T222 I227 V228 L229R167-T225 PolarHBondContact NE-OG1 3.23Å; R167-T225 PolarHBondContact NH2-OG1 2.9Å; I171-T225 HydrophobicContact CD1-CG2 3.76Å; T222-T225 WeakPolarHBondContact O-CB 3Å; T222-T225 PolarHBondContact O-N 2.55Å; T222-T225 PolarHBondContact OG1-N 2.66Å; T222-T225 PolarHBondContact OG1-OG1 3.47Å; T225-I227 VanDerWaalsContact C-N 3.35Å; T225-I227 PolarHBondContact O-N 3.33Å; T225-V228 PolarHBondContact O-N 3.33Å; T225-L229 WeakPolarHBondContact O-CB 3.44Å; T225-L229 PolarHBondContact O-N 3.08Å
226L90.7Very high87.4Confident2 Ų240.2 Ų40.21%0.0122%0.22CC..Hα-helixtrans-60.5-42.7177.6-66.9176.3000112.2L216 A221 T222 L229 L230 L254 P259 L262 V270L216-L226 HydrophobicContact CD2-CD2 4.21Å; A221-L226 HydrophobicContact CB-CD1 4.45Å; A221-L226 HydrophobicContact CB-CD2 3.75Å; A221-L226 HydrophobicContact CB-CG 3.94Å; T222-L226 PolarHBondContact O-N 3.26Å; L226-L229 PolarHBondContact O-N 2.94Å; L226-L230 WeakPolarHBondContact O-CB 3.24Å; L226-L230 WeakPolarHBondContact O-CG 3.32Å; L226-L230 PolarHBondContact O-N 3.18Å; L226-L254 HydrophobicContact CD1-CD1 4.45Å; L226-L254 HydrophobicContact CD2-CD1 4.48Å; L226-L254 HydrophobicContact CD2-CD2 4.22Å; L226-P259 HydrophobicContact CD1-CG 4.35Å; L226-L262 HydrophobicContact CD1-CD1 4.01Å; L226-V270 HydrophobicContact CB-CG1 4.36Å; L226-V270 HydrophobicContact CB-CG2 4.24Å; L226-V270 HydrophobicContact CD1-CG1 4.18Å; L226-V270 HydrophobicContact CD1-CG2 4.09Å
227I88.5Confident87.3Confident46 Ų4640.2 Ų40.224%0.23622%0.22CC..Hα-helixtrans-63.7-48.7179.6-73.2165.5000111.6S223 S224 T225 L229 D231 M273S223-I227 WeakPolarHBondContact O-CB 3.43Å; S223-I227 WeakPolarHBondContact O-CD1 3.17Å; S223-I227 WeakPolarHBondContact O-CG1 3.49Å; S223-I227 PolarHBondContact O-N 3.21Å; S224-I227 PolarHBondContact O-N 3.16Å; T225-I227 VanDerWaalsContact C-N 3.35Å; T225-I227 PolarHBondContact O-N 3.33Å; I227-L229 VanDerWaalsContact C-N 3.32Å; I227-D231 WeakPolarHBondContact O-CB 3.06Å; I227-D231 PolarHBondContact O-N 2.82Å; I227-D231 VanDerWaalsContact O-N 3.09Å; I227-M273 HydrophobicContact CG1-CB 4.25Å; I227-M273 HydrophobicContact CG1-CG 4.33Å; I227-M273 HydrophobicContact CG2-CE 3.55Å; I227-M273 HydrophobicContact CG2-CG 4.28Å
228V91Very high87.3Confident38 Ų3839.3 Ų39.323%0.2321%0.213CC..Hα-helixtrans-65.9-39.8179.4171.20000110.7L168 I171 S224 T225 D231 M232L168-V228 HydrophobicContact CD2-CB 3.89Å; L168-V228 HydrophobicContact CD2-CG1 4.32Å; L168-V228 HydrophobicContact CD2-CG2 3.88Å; I171-V228 HydrophobicContact CG2-CG1 4.39Å; S224-V228 WeakPolarHBondContact O-CG2 3.4Å; S224-V228 PolarHBondContact O-N 3.48Å; T225-V228 PolarHBondContact O-N 3.33Å; V228-D231 PolarHBondContact O-N 2.88Å; V228-M232 HydrophobicContact CG1-CG 4.25Å; V228-M232 VanDerWaalsContact O-CG 3.3Å; V228-M232 WeakPolarHBondContact O-CG 3.48Å; V228-M232 PolarHBondContact O-N 3.5Å
229L91.5Very high87.3Confident2 Ų241.8 Ų41.81%0.0122%0.221CC..Hα-helixtrans-68-42-178.7-166.1131.1000111.7I171 L212 M215 L216 T225 L226 I227 D231 M232 L233I171-L229 HydrophobicContact CD1-CD1 3.91Å; I171-L229 HydrophobicContact CG1-CD1 4.18Å; I171-L229 HydrophobicContact CG2-CB 4.46Å; I171-L229 HydrophobicContact CG2-CD1 4.26Å; I171-L229 HydrophobicContact CG2-CG 4.46Å; L212-L229 HydrophobicContact CD2-CD1 4.24Å; L212-L229 WeakPolarHBondContact O-CD2 3.44Å; M215-L229 HydrophobicContact CB-CD1 3.76Å; M215-L229 HydrophobicContact CE-CD1 4.47Å; M215-L229 HydrophobicContact SD-CD1 4.17Å; L216-L229 HydrophobicContact CB-CD2 4.4Å; L216-L229 HydrophobicContact CD1-CD2 4.24Å; L216-L229 HydrophobicContact CD2-CD2 3.24Å; L216-L229 HydrophobicContact CG-CD2 3.31Å; T225-L229 WeakPolarHBondContact O-CB 3.44Å; T225-L229 PolarHBondContact O-N 3.08Å; L226-L229 PolarHBondContact O-N 2.94Å; I227-L229 VanDerWaalsContact C-N 3.32Å; L229-D231 PolarHBondContact O-N 3.39Å; L229-M232 PolarHBondContact O-N 3.41Å; L229-L233 HydrophobicContact CD2-CD1 3.47Å; L229-L233 VanDerWaalsContact CD2-CD1 3.47Å; L229-L233 HydrophobicContact CD2-CG 4.31Å; L229-L233 HydrophobicContact CG-CD1 4.18Å; L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.11Å; L229-L233 VanDerWaalsContact O-CG 3.23Å; L229-L233 WeakPolarHBondContact O-CG 3.38Å; L229-L233 PolarHBondContact O-N 2.91Å
230L91.1Very high87.8Confident4 Ų436.3 Ų36.32%0.02119%0.193CC..Hα-helixtrans-58.2-47.4170.9-74.5167.6000111.4L216 L226 M232 L233 L234 V270 M273 I274 Q277L216-L230 HydrophobicContact CD2-CD2 3.91Å; L216-L230 HydrophobicContact CD2-CG 4.05Å; L226-L230 WeakPolarHBondContact O-CB 3.24Å; L226-L230 WeakPolarHBondContact O-CG 3.32Å; L226-L230 PolarHBondContact O-N 3.18Å; L230-M232 PolarHBondContact O-N 3.14Å; L230-L233 PolarHBondContact O-N 3.25Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 PolarHBondContact O-N 3.21Å; L230-V270 HydrophobicContact CD1-CG1 4.48Å; L230-M273 HydrophobicContact CD1-CG 4.31Å; L230-I274 HydrophobicContact CD1-CG1 3.66Å; L230-I274 HydrophobicContact CD2-CG1 4.45Å; L230-Q277 PolarHBondContact O-OE1 2.89Å
231D89.6Confident88.1Confident79 Ų7935.1 Ų35.142%0.42218%0.183SC..Hα-helixtrans-61.6-43.5179.9-166.559.6000112.9I227 V228 L229 R235 Q277I227-D231 WeakPolarHBondContact O-CB 3.06Å; I227-D231 PolarHBondContact O-N 2.82Å; I227-D231 VanDerWaalsContact O-N 3.09Å; V228-D231 PolarHBondContact O-N 2.88Å; L229-D231 PolarHBondContact O-N 3.39Å; D231-R235 PolarHBondContact O-N 3.03Å; D231-Q277 PolarHBondContact OD1-NE2 3.16Å; D231-Q277 VanDerWaalsContact OD1-NE2 3.11Å
232M92.4Very high88.1Confident42 Ų4239 Ų3921%0.20722%0.215CC..Hα-helixtrans-69.4-40.9176.8-65.5-5512400112I171 A175 V228 L229 L230 R235 I236I171-M232 HydrophobicContact CG2-CB 4.41Å; I171-M232 HydrophobicContact CG2-CG 4.25Å; A175-M232 HydrophobicContact CB-CB 3.98Å; A175-M232 HydrophobicContact CB-CG 4.33Å; V228-M232 HydrophobicContact CG1-CG 4.25Å; V228-M232 VanDerWaalsContact O-CG 3.3Å; V228-M232 WeakPolarHBondContact O-CG 3.48Å; V228-M232 PolarHBondContact O-N 3.5Å; L229-M232 PolarHBondContact O-N 3.41Å; L230-M232 PolarHBondContact O-N 3.14Å; M232-R235 WeakPolarHBondContact O-CB 3.24Å; M232-R235 PolarHBondContact O-N 3.17Å; M232-I236 VanDerWaalsContact O-CG1 3.32Å; M232-I236 WeakPolarHBondContact O-CG1 3.41Å; M232-I236 PolarHBondContact O-N 3.48Å
233L91.9Very high88.2Confident0 Ų038.6 Ų38.60%021%0.209CC..Hα-helixtrans-64.4-41.9177.6-76.1172.9000111.9F209 L212 I213 L216 L229 L230 R235 I236 V237 L247F209-L233 HydrophobicContact CD2-CD2 4Å; F209-L233 HydrophobicContact CE2-CD2 3.64Å; F209-L233 HydrophobicContact CZ-CD2 4.5Å; L212-L233 HydrophobicContact CB-CD2 4.16Å; I213-L233 HydrophobicContact CG1-CD1 4.19Å; I213-L233 HydrophobicContact CG1-CD2 3.86Å; L216-L233 HydrophobicContact CD1-CD1 3.68Å; L216-L233 HydrophobicContact CG-CD1 4.1Å; L229-L233 HydrophobicContact CD2-CD1 3.47Å; L229-L233 VanDerWaalsContact CD2-CD1 3.47Å; L229-L233 HydrophobicContact CD2-CG 4.31Å; L229-L233 HydrophobicContact CG-CD1 4.18Å; L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.11Å; L229-L233 VanDerWaalsContact O-CG 3.23Å; L229-L233 WeakPolarHBondContact O-CG 3.38Å; L229-L233 PolarHBondContact O-N 2.91Å; L230-L233 PolarHBondContact O-N 3.25Å; L233-R235 PolarHBondContact O-N 2.87Å; L233-I236 HydrophobicContact CD2-CD1 4.38Å; L233-I236 PolarHBondContact O-N 2.82Å; L233-V237 VanDerWaalsContact O-CB 3.3Å; L233-V237 WeakPolarHBondContact O-CB 3.48Å; L233-V237 VanDerWaalsContact O-CG2 3.29Å; L233-V237 WeakPolarHBondContact O-CG2 3.43Å; L233-V237 PolarHBondContact O-N 3.35Å; L233-L247 HydrophobicContact CB-CD1 3.88Å; L233-L247 HydrophobicContact CB-CD2 4.29Å; L233-L247 HydrophobicContact CD1-CD1 3.81Å; L233-L247 HydrophobicContact CG-CD1 4.42Å
234L87.2Confident88.2Confident13 Ų1337.8 Ų37.87%0.06820%0.203CC..Hα-helixtrans-59.8-39.9174.8178.767.3000111.4L230 S238 Q277 F281L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 PolarHBondContact O-N 3.21Å; L234-S238 WeakPolarHBondContact O-CB 3.46Å; L234-S238 PolarHBondContact O-N 3.43Å; L234-S238 PolarHBondContact O-OG 3.43Å; L234-Q277 HydrophobicContact CD2-CB 4.08Å; L234-Q277 HydrophobicContact CD2-CG 4.33Å; L234-F281 HydrophobicContact CD1-CB 3.87Å; L234-F281 HydrophobicContact CD1-CD2 3.37Å; L234-F281 HydrophobicContact CD1-CE2 4.22Å; L234-F281 HydrophobicContact CD1-CG 3.86Å
235R87.6Confident88.2Confident161 Ų16138.6 Ų38.661%0.60821%0.211SC*.Hα-helixtrans-64.5-44.5175.6-171.6165.4-173.9149.82.4112D231 M232 L233 E239D231-R235 PolarHBondContact O-N 3.03Å; M232-R235 WeakPolarHBondContact O-CB 3.24Å; M232-R235 PolarHBondContact O-N 3.17Å; L233-R235 PolarHBondContact O-N 2.87Å; R235-E239 PolarHBondContact O-N 2.87Å
236I90.7Very high88.1Confident1 Ų140.9 Ų40.91%0.00522%0.222CC..Hα-helixtrans-59.4-52.2176.5-66.9163.7000110.4A175 I178 L179 F209 L212 M232 L233 S238 E239 R240 W243A175-I236 HydrophobicContact CB-CD1 3.86Å; A175-I236 HydrophobicContact CB-CG1 4.35Å; I178-I236 HydrophobicContact CD1-CD1 3.92Å; I178-I236 HydrophobicContact CG2-CD1 4.45Å; I178-I236 HydrophobicContact CG2-CG2 3.9Å; L179-I236 HydrophobicContact CD2-CG1 4.42Å; L179-I236 HydrophobicContact CG-CG1 4.34Å; F209-I236 HydrophobicContact CD2-CD1 4.5Å; F209-I236 HydrophobicContact CD2-CG2 3.89Å; F209-I236 HydrophobicContact CE2-CG2 3.94Å; L212-I236 HydrophobicContact CD1-CD1 4.21Å; M232-I236 VanDerWaalsContact O-CG1 3.32Å; M232-I236 WeakPolarHBondContact O-CG1 3.41Å; M232-I236 PolarHBondContact O-N 3.48Å; L233-I236 HydrophobicContact CD2-CD1 4.38Å; L233-I236 PolarHBondContact O-N 2.82Å; I236-S238 VanDerWaalsContact C-N 3.32Å; I236-S238 PolarHBondContact O-N 3.07Å; I236-E239 CarbonylContact O-C 3.41Å; I236-E239 PolarHBondContact O-N 3.22Å; I236-E239 VanDerWaalsContact O-N 3.1Å; I236-R240 WeakPolarHBondContact O-CB 3.5Å; I236-R240 PolarHBondContact O-N 3.33Å; I236-W243 HydrophobicContact CG2-CE3 3.76Å; I236-W243 HydrophobicContact CG2-CZ3 3.6Å
237V88.2Confident88.1Confident1 Ų141.5 Ų41.51%0.00623%0.225CC..Hα-helixtrans-68.4-31.2-175.2169.10000112.2F209 L233 E239 R240 W243 I244 L247 F281F209-V237 HydrophobicContact CE2-CG2 4.02Å; F209-V237 HydrophobicContact CZ-CG2 4.03Å; L233-V237 VanDerWaalsContact O-CB 3.3Å; L233-V237 WeakPolarHBondContact O-CB 3.48Å; L233-V237 VanDerWaalsContact O-CG2 3.29Å; L233-V237 WeakPolarHBondContact O-CG2 3.43Å; L233-V237 PolarHBondContact O-N 3.35Å; V237-E239 VanDerWaalsContact C-N 3.27Å; V237-E239 PolarHBondContact O-N 3.07Å; V237-R240 CarbonylContact O-C 3.51Å; V237-R240 PolarHBondContact O-N 3.4Å; V237-W243 HydrophobicContact CG2-CB 4.31Å; V237-I244 VanDerWaalsContact CG1-CA 3.49Å; V237-I244 HydrophobicContact CG1-CB 3.86Å; V237-I244 HydrophobicContact CG1-CD1 4.47Å; V237-I244 HydrophobicContact CG1-CG1 3.19Å; V237-I244 HydrophobicContact CG1-CG2 4.48Å; V237-L247 HydrophobicContact CB-CD2 4.1Å; V237-L247 HydrophobicContact CG1-CD2 4.27Å; V237-L247 HydrophobicContact CG2-CB 4.14Å; V237-L247 HydrophobicContact CG2-CD2 3.82Å; V237-F281 HydrophobicContact CG1-CE2 4.41Å; V237-F281 HydrophobicContact CG1-CZ 4.34Å
238S83.3Confident88Confident40 Ų4039.8 Ų39.828%0.2822%0.217SC..Hα-helixtrans-64.4-32.9172.3-63.70000112.4L234 I236L234-S238 WeakPolarHBondContact O-CB 3.46Å; L234-S238 PolarHBondContact O-N 3.43Å; L234-S238 PolarHBondContact O-OG 3.43Å; I236-S238 VanDerWaalsContact C-N 3.32Å; I236-S238 PolarHBondContact O-N 3.07Å
239E84.4Confident87.8Confident93 Ų9343.7 Ų43.744%0.43523%0.232SC..Hα-helixtrans-89.1-17.3174-64.1-172-148.300112.7L179 R235 I236 V237L179-E239 HydrophobicContact CD2-CB 3.94Å; L179-E239 HydrophobicContact CD2-CG 4.35Å; R235-E239 PolarHBondContact O-N 2.87Å; I236-E239 CarbonylContact O-C 3.41Å; I236-E239 PolarHBondContact O-N 3.22Å; I236-E239 VanDerWaalsContact O-N 3.1Å; V237-E239 VanDerWaalsContact C-N 3.27Å; V237-E239 PolarHBondContact O-N 3.07Å
240R87Confident87.5Confident42 Ų4245.5 Ų45.516%0.15824%0.24CC..  trans-129.676.2-178.2-58.3-62.7176.3-90-5.9110.7L179 T182 D183 I236 V237 A242 W243L179-R240 PolarHBondContact O-NH2 2.89Å; T182-R240 PolarHBondContact O-NE 3.1Å; T182-R240 PolarHBondContact O-NH2 3.15Å; T182-R240 PolarHBondContact OG1-NE 2.76Å; D183-R240 VanDerWaalsContact CA-NH2 3.3Å; I236-R240 WeakPolarHBondContact O-CB 3.5Å; I236-R240 PolarHBondContact O-N 3.33Å; V237-R240 CarbonylContact O-C 3.51Å; V237-R240 PolarHBondContact O-N 3.4Å; R240-A242 PolarHBondContact O-N 3.14Å; R240-W243 HydrophobicContact CB-CD2 4.08Å; R240-W243 HydrophobicContact CB-CE3 3.73Å; R240-W243 HydrophobicContact CB-CZ3 4.03Å; R240-W243 HydrophobicContact CG-CE3 4.19Å; R240-W243 HydrophobicContact CG-CH2 4.36Å; R240-W243 HydrophobicContact CG-CZ3 3.95Å; R240-W243 PolarHBondContact O-N 3.45Å; R240-W243 VanDerWaalsContact O-N 3.15Å
241P81.9Confident87.3Confident70 Ų7045.7 Ų45.746%0.45524%0.242SC..G310 helixtrans-62.7-19.3-171.723.8-34.4000114.4W243 I244 A286P241-W243 PolarHBondContact O-N 2.79Å; P241-W243 VanDerWaalsContact O-N 3.17Å; P241-I244 HydrophobicContact CB-CD1 3.7Å; P241-I244 WeakPolarHBondContact O-CD1 3.29Å; P241-I244 WeakPolarHBondContact O-CG1 3.1Å; P241-I244 PolarHBondContact O-N 3.4Å; P241-A286 HydrophobicContact CB-CB 4.17Å
242A84.5Confident87Confident86 Ų8646.4 Ų46.471%0.71124%0.243SC*.G310 helixtrans-61.8-21.3176.800000113.7R240R240-A242 PolarHBondContact O-N 3.14Å
243W89.2Confident86.6Confident34 Ų3448.6 Ų48.613%0.12925%0.253CS..G310 helixtrans-1027.3-175.9-53-25.4000113.7I178 T182 R206 F209 I236 V237 R240 P241 A245 L247I178-W243 HydrophobicContact CG2-CH2 3.91Å; I178-W243 HydrophobicContact CG2-CZ3 3.61Å; T182-W243 HydrophobicContact CG2-CH2 3.54Å; T182-W243 HydrophobicContact CG2-CZ2 4Å; R206-W243 VanDerWaalsContact NH1-CD1 3.28Å; F209-W243 HydrophobicContact CB-CH2 4.49Å; F209-W243 HydrophobicContact CB-CZ3 4.18Å; F209-W243 HydrophobicContact CD1-CD2 4.15Å; F209-W243 HydrophobicContact CD1-CE3 4.03Å; F209-W243 HydrophobicContact CD1-CG 4.43Å; F209-W243 AromaticContact CD2-CE3 3.69Å; F209-W243 HydrophobicContact CD2-CE3 3.69Å; F209-W243 AromaticContact CD2-CZ3 3.9Å; F209-W243 HydrophobicContact CD2-CZ3 3.9Å; F209-W243 HydrophobicContact CE1-CB 3.7Å; F209-W243 HydrophobicContact CE1-CD2 4.05Å; F209-W243 HydrophobicContact CE1-CE3 4.05Å; F209-W243 AromaticContact CE1-CG 3.93Å; F209-W243 HydrophobicContact CE1-CG 3.93Å; F209-W243 HydrophobicContact CE2-CB 4.41Å; F209-W243 HydrophobicContact CE2-CD2 4.49Å; F209-W243 AromaticContact CE2-CE3 3.73Å; F209-W243 HydrophobicContact CE2-CE3 3.73Å; F209-W243 HydrophobicContact CE2-CZ3 4.38Å; F209-W243 HydrophobicContact CG-CD2 4.38Å; F209-W243 AromaticContact CG-CE3 3.81Å; F209-W243 HydrophobicContact CG-CE3 3.81Å; F209-W243 AromaticContact CG-CZ3 3.94Å; F209-W243 HydrophobicContact CG-CZ3 3.94Å; F209-W243 HydrophobicContact CZ-CB 3.55Å; F209-W243 HydrophobicContact CZ-CD2 4.21Å; F209-W243 AromaticContact CZ-CE3 3.89Å; F209-W243 HydrophobicContact CZ-CE3 3.89Å; F209-W243 HydrophobicContact CZ-CG 4.13Å; I236-W243 HydrophobicContact CG2-CE3 3.76Å; I236-W243 HydrophobicContact CG2-CZ3 3.6Å; V237-W243 HydrophobicContact CG2-CB 4.31Å; R240-W243 HydrophobicContact CB-CD2 4.08Å; R240-W243 HydrophobicContact CB-CE3 3.73Å; R240-W243 HydrophobicContact CB-CZ3 4.03Å; R240-W243 HydrophobicContact CG-CE3 4.19Å; R240-W243 HydrophobicContact CG-CH2 4.36Å; R240-W243 HydrophobicContact CG-CZ3 3.95Å; R240-W243 PolarHBondContact O-N 3.45Å; R240-W243 VanDerWaalsContact O-N 3.15Å; P241-W243 PolarHBondContact O-N 2.79Å; P241-W243 VanDerWaalsContact O-N 3.17Å; W243-A245 PolarHBondContact O-N 3.13Å; W243-L247 PolarHBondContact O-N 2.99Å
244I85.9Confident86.2Confident2 Ų249 Ų491%0.0126%0.255CS..Hα-helixtrans-60-47.8-179.3-65.1163.4000111.6V237 P241 E246 L247 L248 F281 A286 Y290V237-I244 VanDerWaalsContact CG1-CA 3.49Å; V237-I244 HydrophobicContact CG1-CB 3.86Å; V237-I244 HydrophobicContact CG1-CD1 4.47Å; V237-I244 HydrophobicContact CG1-CG1 3.19Å; V237-I244 HydrophobicContact CG1-CG2 4.48Å; P241-I244 HydrophobicContact CB-CD1 3.7Å; P241-I244 WeakPolarHBondContact O-CD1 3.29Å; P241-I244 WeakPolarHBondContact O-CG1 3.1Å; P241-I244 PolarHBondContact O-N 3.4Å; I244-E246 VanDerWaalsContact C-N 3.27Å; I244-E246 PolarHBondContact O-N 2.95Å; I244-L247 PolarHBondContact O-N 3.42Å; I244-L248 HydrophobicContact CG2-CD1 3.68Å; I244-L248 HydrophobicContact CG2-CG 4Å; I244-L248 WeakPolarHBondContact O-CG 3.46Å; I244-L248 PolarHBondContact O-N 3.14Å; I244-F281 HydrophobicContact CB-CZ 4.43Å; I244-F281 HydrophobicContact CD1-CE1 4.14Å; I244-F281 HydrophobicContact CD1-CZ 3.53Å; I244-F281 HydrophobicContact CG1-CE1 4.19Å; I244-F281 HydrophobicContact CG1-CZ 3.6Å; I244-F281 HydrophobicContact CG2-CE1 3.61Å; I244-F281 HydrophobicContact CG2-CZ 3.91Å; I244-A286 HydrophobicContact CD1-CB 4.06Å; I244-Y290 HydrophobicContact CB-CD2 4.24Å; I244-Y290 HydrophobicContact CB-CE2 3.82Å; I244-Y290 HydrophobicContact CD1-CD2 3.98Å; I244-Y290 HydrophobicContact CD1-CE2 3.67Å; I244-Y290 HydrophobicContact CG1-CE2 4.34Å; I244-Y290 HydrophobicContact CG2-CD1 4.33Å; I244-Y290 HydrophobicContact CG2-CD2 3.62Å; I244-Y290 HydrophobicContact CG2-CE1 4.39Å; I244-Y290 HydrophobicContact CG2-CE2 3.71Å; I244-Y290 HydrophobicContact CG2-CG 3.95Å
245A85.9Confident85.9Confident51 Ų5150.3 Ų50.342%0.42126%0.26SS..Hα-helixtrans-57.7-43-174.800000111.8W243 L248 E249 Y290W243-A245 PolarHBondContact O-N 3.13Å; A245-L248 PolarHBondContact O-N 2.87Å; A245-E249 WeakPolarHBondContact O-CB 3.48Å; A245-E249 PolarHBondContact O-N 2.9Å; A245-Y290 HydrophobicContact CB-CE1 4.37Å
246E88.3Confident85.5Confident51 Ų5150 Ų5024%0.23827%0.265CS..Hα-helixtrans-66.3-39.4179.8-168.7176.8-175.700112.4R206 I213 I244 K250R206-E246 IonicContact CZ-OE1 3.91Å; R206-E246 IonicContact CZ-OE2 3.19Å; R206-E246 IonicContact NH1-OE2 2.77Å; R206-E246 PolarHBondContact NH1-OE2 3.27Å; R206-E246 VanDerWaalsContact NH2-CD 3.26Å; R206-E246 IonicContact NH2-OE1 3Å; R206-E246 PolarHBondContact NH2-OE1 2.63Å; R206-E246 IonicContact NH2-OE2 2.76Å; R206-E246 PolarHBondContact NH2-OE2 2.76Å; I213-E246 HydrophobicContact CD1-CB 4.34Å; I213-E246 HydrophobicContact CD1-CG 3.82Å; I244-E246 VanDerWaalsContact C-N 3.27Å; I244-E246 PolarHBondContact O-N 2.95Å; E246-K250 WeakPolarHBondContact O-CB 2.91Å; E246-K250 VanDerWaalsContact O-CG 3.28Å; E246-K250 WeakPolarHBondContact O-CG 3.38Å; E246-K250 PolarHBondContact O-N 3.16Å; E246-K250 VanDerWaalsContact O-N 3.14Å
247L89.2Confident84.9Confident15 Ų1554 Ų548%0.07929%0.293CS..Hα-helixtrans-65.9-43.3174.1177.863.4000111.7L216 L233 V237 W243 I244 K250 C251L216-L247 HydrophobicContact CD1-CD1 4.21Å; L233-L247 HydrophobicContact CB-CD1 3.88Å; L233-L247 HydrophobicContact CB-CD2 4.29Å; L233-L247 HydrophobicContact CD1-CD1 3.81Å; L233-L247 HydrophobicContact CG-CD1 4.42Å; V237-L247 HydrophobicContact CB-CD2 4.1Å; V237-L247 HydrophobicContact CG1-CD2 4.27Å; V237-L247 HydrophobicContact CG2-CB 4.14Å; V237-L247 HydrophobicContact CG2-CD2 3.82Å; W243-L247 PolarHBondContact O-N 2.99Å; I244-L247 PolarHBondContact O-N 3.42Å; L247-K250 PolarHBondContact O-N 3.03Å; L247-C251 WeakPolarHBondContact O-CB 3.48Å; L247-C251 PolarHBondContact O-N 2.96Å; L247-C251 PolarHBondContact O-SG 2.98Å
248L86.5Confident84.6Confident11 Ų1155.4 Ų55.46%0.05830%0.301CS..Hα-helixtrans-63-45.5-179.5-71.3180000111.2I244 A245 K250 C251 E252 L278 Y290 I294 M297I244-L248 HydrophobicContact CG2-CD1 3.68Å; I244-L248 HydrophobicContact CG2-CG 4Å; I244-L248 WeakPolarHBondContact O-CG 3.46Å; I244-L248 PolarHBondContact O-N 3.14Å; A245-L248 PolarHBondContact O-N 2.87Å; L248-K250 PolarHBondContact O-N 3.39Å; L248-C251 PolarHBondContact O-N 3.48Å; L248-E252 PolarHBondContact O-N 2.76Å; L248-L278 HydrophobicContact CD2-CD2 3.47Å; L248-L278 VanDerWaalsContact CD2-CD2 3.47Å; L248-Y290 HydrophobicContact CD1-CD1 4Å; L248-Y290 HydrophobicContact CD1-CG 4.16Å; L248-I294 HydrophobicContact CD1-CG1 4.11Å; L248-I294 HydrophobicContact CD2-CG1 4.06Å; L248-M297 HydrophobicContact CB-CE 3.72Å; L248-M297 HydrophobicContact CD2-CE 3.72Å; L248-M297 HydrophobicContact CG-CE 4.17Å
249E86.8Confident84.5Confident120 Ų12053.9 Ų53.956%0.56129%0.289SS*.Hα-helixtrans-57.1-47.5174.7-177-179.5174.600111.4A245 C251 E252 M253A245-E249 WeakPolarHBondContact O-CB 3.48Å; A245-E249 PolarHBondContact O-N 2.9Å; E249-C251 VanDerWaalsContact C-N 3.35Å; E249-C251 PolarHBondContact O-N 3.45Å; E249-E252 WeakPolarHBondContact O-CB 3.17Å; E249-E252 PolarHBondContact O-N 2.94Å; E249-M253 WeakPolarHBondContact O-CG 3.07Å; E249-M253 PolarHBondContact O-N 3.43Å
250K86.5Confident84Confident40 Ų4055.1 Ų55.117%0.17431%0.306CS..Hα-helixtrans-68.8-31.5179.1-69.4-90.2-175.5163.60113.1I213 D214 L216 E246 L247 L248 L254I213-K250 HydrophobicContact CG2-CB 4.4Å; I213-K250 HydrophobicContact CG2-CD 3.72Å; I213-K250 HydrophobicContact CG2-CG 3.62Å; D214-K250 IonicContact OD1-NZ 3.93Å; D214-K250 PolarHBondContact OD1-NZ 3.5Å; L216-K250 HydrophobicContact CD1-CB 4.15Å; E246-K250 WeakPolarHBondContact O-CB 2.91Å; E246-K250 VanDerWaalsContact O-CG 3.28Å; E246-K250 WeakPolarHBondContact O-CG 3.38Å; E246-K250 PolarHBondContact O-N 3.16Å; E246-K250 VanDerWaalsContact O-N 3.14Å; L247-K250 PolarHBondContact O-N 3.03Å; L248-K250 PolarHBondContact O-N 3.39Å; K250-L254 VanDerWaalsContact O-CB 3.31Å; K250-L254 WeakPolarHBondContact O-CB 3.19Å; K250-L254 PolarHBondContact O-N 3.31Å
251C86Confident83.5Confident8 Ų857.8 Ų57.85%0.05433%0.327CS..Hα-helixtrans-68.2-39.5173.8-72.80000111.9L247 L248 E249 L254 Y255L247-C251 WeakPolarHBondContact O-CB 3.48Å; L247-C251 PolarHBondContact O-N 2.96Å; L247-C251 PolarHBondContact O-SG 2.98Å; L248-C251 PolarHBondContact O-N 3.48Å; E249-C251 VanDerWaalsContact C-N 3.35Å; E249-C251 PolarHBondContact O-N 3.45Å; C251-L254 PolarHBondContact O-N 3.15Å; C251-Y255 WeakPolarHBondContact O-CB 3.43Å; C251-Y255 PolarHBondContact O-N 3.1Å
252E83.5Confident83.5Confident94 Ų9455.1 Ų55.144%0.43931%0.309SS..Hα-helixtrans-61.3-51174.5-170.7168.6-161.800110.2L248 E249 L254 Y255 E256 M297L248-E252 PolarHBondContact O-N 2.76Å; E249-E252 WeakPolarHBondContact O-CB 3.17Å; E249-E252 PolarHBondContact O-N 2.94Å; E252-L254 PolarHBondContact O-N 2.97Å; E252-Y255 PolarHBondContact O-N 3.05Å; E252-Y255 VanDerWaalsContact O-N 3.15Å; E252-E256 PolarHBondContact O-N 3.12Å; E252-E256 VanDerWaalsContact O-N 3.11Å; E252-M297 HydrophobicContact CB-SD 3.99Å; E252-M297 HydrophobicContact CG-SD 4.44Å
253M83.8Confident83.4Confident88 Ų8853.6 Ų53.643%0.43329%0.293SS..Hα-helixtrans-57.7-45.5174.8-66.9-179.97200112.8E249 Y255 E256 S257E249-M253 WeakPolarHBondContact O-CG 3.07Å; E249-M253 PolarHBondContact O-N 3.43Å; M253-Y255 VanDerWaalsContact C-N 3.27Å; M253-Y255 PolarHBondContact O-N 3.02Å; M253-E256 PolarHBondContact O-N 3.01Å; M253-S257 PolarHBondContact O-N 2.96Å; M253-S257 PolarHBondContact O-OG 2.99Å; M253-S257 VanDerWaalsContact O-OG 3.08Å
254L84.5Confident82.9Confident7 Ų759 Ų594%0.03732%0.317CS..Hα-helixtrans-62.6-37179177.361.1000111.5L216 L226 K250 C251 E252 S257 L258 V270 I274L216-L254 HydrophobicContact CD2-CD2 3.88Å; L216-L254 WeakPolarHBondContact O-CD1 3.43Å; L226-L254 HydrophobicContact CD1-CD1 4.45Å; L226-L254 HydrophobicContact CD2-CD1 4.48Å; L226-L254 HydrophobicContact CD2-CD2 4.22Å; K250-L254 VanDerWaalsContact O-CB 3.31Å; K250-L254 WeakPolarHBondContact O-CB 3.19Å; K250-L254 PolarHBondContact O-N 3.31Å; C251-L254 PolarHBondContact O-N 3.15Å; E252-L254 PolarHBondContact O-N 2.97Å; L254-S257 CarbonylContact O-C 3.57Å; L254-L258 WeakPolarHBondContact O-CD1 3.29Å; L254-L258 VanDerWaalsContact O-CG 3.29Å; L254-L258 WeakPolarHBondContact O-CG 3.37Å; L254-L258 PolarHBondContact O-N 3.37Å; L254-V270 HydrophobicContact CD2-CG1 4.49Å; L254-I274 HydrophobicContact CD2-CD1 4.23Å; L254-I274 HydrophobicContact CG-CD1 4.42Å
255Y80.1Confident82.5Confident41 Ų4162.5 Ų62.516%0.16134%0.342CS..Hα-helixtrans-67.2-38.3178.2-172.4-91.5000112.2C251 E252 M253 L258 Q271 I274 L301C251-Y255 WeakPolarHBondContact O-CB 3.43Å; C251-Y255 PolarHBondContact O-N 3.1Å; E252-Y255 PolarHBondContact O-N 3.05Å; E252-Y255 VanDerWaalsContact O-N 3.15Å; M253-Y255 VanDerWaalsContact C-N 3.27Å; M253-Y255 PolarHBondContact O-N 3.02Å; Y255-L258 WeakPolarHBondContact O-CD1 3.5Å; Y255-Q271 HydrophobicContact CD2-CB 4.45Å; Y255-Q271 HydrophobicContact CD2-CG 3.89Å; Y255-Q271 HydrophobicContact CE2-CB 3.94Å; Y255-Q271 HydrophobicContact CE2-CG 3.53Å; Y255-I274 HydrophobicContact CD2-CD1 4.5Å; Y255-L301 HydrophobicContact CD1-CD2 3.31Å; Y255-L301 HydrophobicContact CD2-CD2 3.22Å; Y255-L301 HydrophobicContact CE1-CD2 3.28Å; Y255-L301 HydrophobicContact CE2-CD2 3.17Å; Y255-L301 HydrophobicContact CE2-CG 4.48Å; Y255-L301 HydrophobicContact CG-CD2 3.26Å; Y255-L301 PolarHBondContact OH-O 3.17Å
256E79.5Confident82.4Confident156 Ų15663.2 Ų63.273%0.72934%0.336SS*.Hα-helixtrans-71.4-37.7176.7-68-174.6166.800112.5E252 M253E252-E256 PolarHBondContact O-N 3.12Å; E252-E256 VanDerWaalsContact O-N 3.11Å; M253-E256 PolarHBondContact O-N 3.01Å
257S77.8Confident82.1Confident85 Ų8563 Ų6359%0.59434%0.336SS*.SBendtrans-127.870-17668.70000112.8M253 L254M253-S257 PolarHBondContact O-N 2.96Å; M253-S257 PolarHBondContact O-OG 2.99Å; M253-S257 VanDerWaalsContact O-OG 3.08Å; L254-S257 CarbonylContact O-C 3.57Å
258L82.4Confident81.6Confident30 Ų3070.8 Ų70.816%0.15737%0.365CS..  trans-67149.2172.4-77.7106.6000111.7L254 Y255 L262 I267 V270 Q271L254-L258 WeakPolarHBondContact O-CD1 3.29Å; L254-L258 VanDerWaalsContact O-CG 3.29Å; L254-L258 WeakPolarHBondContact O-CG 3.37Å; L254-L258 PolarHBondContact O-N 3.37Å; Y255-L258 WeakPolarHBondContact O-CD1 3.5Å; L258-L262 HydrophobicContact CD2-CD1 4.23Å; L258-I267 HydrophobicContact CD1-CG2 4.28Å; L258-I267 HydrophobicContact CD2-CG1 4.49Å; L258-I267 HydrophobicContact CD2-CG2 4.2Å; L258-V270 HydrophobicContact CD2-CB 3.93Å; L258-V270 HydrophobicContact CD2-CG1 3.83Å; L258-Q271 HydrophobicContact CD1-CG 4.24Å
259P79.8Confident81.3Confident7 Ų772.8 Ų72.85%0.04538%0.38CS..  trans-55.8130.5177.7-24.732.1000112.3L226 T261 L262L226-P259 HydrophobicContact CD1-CG 4.35Å; P259-T261 PolarHBondContact O-N 3.19Å; P259-T261 VanDerWaalsContact O-N 3.09Å; P259-L262 HydrophobicContact CB-CD1 4.34Å; P259-L262 HydrophobicContact CB-CG 4.21Å; P259-L262 HydrophobicContact CG-CD1 4.24Å; P259-L262 PolarHBondContact O-N 3.18Å; P259-L262 VanDerWaalsContact O-N 3.16Å
260P74.7Confident81.1Confident119 Ų11967.1 Ų67.177%0.77335%0.353SS*.THydrogen-bonded Turntrans-68.5-12.6-175.628.5-35.8000113.2L262P260-L262 VanDerWaalsContact C-N 3.26Å; P260-L262 PolarHBondContact O-N 2.93Å
261T76.9Confident81Confident99 Ų9967 Ų6761%0.60735%0.353SS*.THydrogen-bonded Turntrans-74.6-15.2177.353.10000113P259P259-T261 PolarHBondContact O-N 3.19Å; P259-T261 VanDerWaalsContact O-N 3.09Å
262L82.7Confident80.9Confident14 Ų1473.1 Ų73.17%0.07338%0.379CS..SBendtrans-80.9130.9-178.7-60.3179.2000111.3L226 L258 P259 P260 Q266 I267 V270L226-L262 HydrophobicContact CD1-CD1 4.01Å; L258-L262 HydrophobicContact CD2-CD1 4.23Å; P259-L262 HydrophobicContact CB-CD1 4.34Å; P259-L262 HydrophobicContact CB-CG 4.21Å; P259-L262 HydrophobicContact CG-CD1 4.24Å; P259-L262 PolarHBondContact O-N 3.18Å; P259-L262 VanDerWaalsContact O-N 3.16Å; P260-L262 VanDerWaalsContact C-N 3.26Å; P260-L262 PolarHBondContact O-N 2.93Å; L262-Q266 HydrophobicContact CB-CB 4.1Å; L262-Q266 HydrophobicContact CD2-CB 4.29Å; L262-I267 HydrophobicContact CB-CD1 4.44Å; L262-I267 HydrophobicContact CB-CG1 3.73Å; L262-I267 WeakPolarHBondContact O-CD1 3.36Å; L262-V270 HydrophobicContact CD1-CG2 4.43Å
263S82.4Confident80.9Confident53 Ų5370.9 Ų70.937%0.37137%0.369SS..  trans-64.4158.3169.663.80000111.7S265 Q266 I267S263-S265 PolarHBondContact O-N 2.99Å; S263-S265 VanDerWaalsContact O-N 3.09Å; S263-S265 PolarHBondContact OG-OG 3.25Å; S263-Q266 WeakPolarHBondContact O-CA 3.35Å; S263-Q266 WeakPolarHBondContact O-CB 3.4Å; S263-Q266 PolarHBondContact O-N 3.26Å; S263-Q266 VanDerWaalsContact OG-CD 3.25Å; S263-Q266 VanDerWaalsContact OG-CG 3.28Å; S263-Q266 WeakPolarHBondContact OG-CG 3.31Å; S263-Q266 PolarHBondContact OG-OE1 3.38Å; S263-I267 WeakPolarHBondContact O-CG1 3.35Å; S263-I267 PolarHBondContact O-N 2.87Å
264K77.7Confident80.9Confident148 Ų14866.8 Ų66.864%0.64335%0.349SS*.Hα-helixtrans-53.6-35.3179.3-65-168.2178.5-160.20113.6R268K264-R268 WeakPolarHBondContact O-CG 3.33Å; K264-R268 PolarHBondContact O-N 3.46Å; K264-R268 VanDerWaalsContact O-N 3.14Å
265S77.2Confident80.8Confident76 Ų7669.1 Ų69.153%0.53136%0.357SS..Hα-helixtrans-72.3-36.3177.655.50000112.5S263 S269S263-S265 PolarHBondContact O-N 2.99Å; S263-S265 VanDerWaalsContact O-N 3.09Å; S263-S265 PolarHBondContact OG-OG 3.25Å; S265-S269 PolarHBondContact O-N 3.21Å; S265-S269 VanDerWaalsContact O-N 3.08Å; S265-S269 PolarHBondContact O-OG 3.42Å
266Q84.8Confident80.8Confident65 Ų6571.2 Ų71.230%0.30437%0.371SS..Hα-helixtrans-67.5-44.5174.4-75169.3-41.700111.2L262 S263 R268 S269 V270L262-Q266 HydrophobicContact CB-CB 4.1Å; L262-Q266 HydrophobicContact CD2-CB 4.29Å; S263-Q266 WeakPolarHBondContact O-CA 3.35Å; S263-Q266 WeakPolarHBondContact O-CB 3.4Å; S263-Q266 PolarHBondContact O-N 3.26Å; S263-Q266 VanDerWaalsContact OG-CD 3.25Å; S263-Q266 VanDerWaalsContact OG-CG 3.28Å; S263-Q266 WeakPolarHBondContact OG-CG 3.31Å; S263-Q266 PolarHBondContact OG-OE1 3.38Å; Q266-R268 PolarHBondContact O-N 3.16Å; Q266-S269 WeakPolarHBondContact O-CA 3.22Å; Q266-S269 WeakPolarHBondContact O-CB 3.32Å; Q266-S269 PolarHBondContact O-N 3.29Å; Q266-V270 WeakPolarHBondContact O-CG2 3.47Å; Q266-V270 PolarHBondContact O-N 3.2Å
267I81.2Confident80.8Confident46 Ų4664.7 Ų64.724%0.23634%0.34CS..Hα-helixtrans-54.8-52.8174.4-67.5169.8000110.2L258 L262 S263 S269 V270 Q271L258-I267 HydrophobicContact CD1-CG2 4.28Å; L258-I267 HydrophobicContact CD2-CG1 4.49Å; L258-I267 HydrophobicContact CD2-CG2 4.2Å; L262-I267 HydrophobicContact CB-CD1 4.44Å; L262-I267 HydrophobicContact CB-CG1 3.73Å; L262-I267 WeakPolarHBondContact O-CD1 3.36Å; S263-I267 WeakPolarHBondContact O-CG1 3.35Å; S263-I267 PolarHBondContact O-N 2.87Å; I267-S269 PolarHBondContact O-N 2.92Å; I267-V270 PolarHBondContact O-N 2.93Å; I267-V270 VanDerWaalsContact O-N 3.13Å; I267-Q271 HydrophobicContact CG2-CG 4.28Å; I267-Q271 WeakPolarHBondContact O-CG 3.38Å; I267-Q271 PolarHBondContact O-N 2.8Å
268R79.2Confident81.1Confident180 Ų18061.1 Ų61.168%0.67931%0.314SS*.Hα-helixtrans-56.9-36176.3-74.4179.9-169.6171.2-0.4113K264 Q266 K272K264-R268 WeakPolarHBondContact O-CG 3.33Å; K264-R268 PolarHBondContact O-N 3.46Å; K264-R268 VanDerWaalsContact O-N 3.14Å; Q266-R268 PolarHBondContact O-N 3.16Å; R268-K272 WeakPolarHBondContact O-CB 3.46Å; R268-K272 PolarHBondContact O-N 3.41Å
269S79.6Confident81Confident53 Ų5364.7 Ų64.737%0.37133%0.33SS..Hα-helixtrans-68.8-41.4179.6-59.50000111.8S265 Q266 I267 M273S265-S269 PolarHBondContact O-N 3.21Å; S265-S269 VanDerWaalsContact O-N 3.08Å; S265-S269 PolarHBondContact O-OG 3.42Å; Q266-S269 WeakPolarHBondContact O-CA 3.22Å; Q266-S269 WeakPolarHBondContact O-CB 3.32Å; Q266-S269 PolarHBondContact O-N 3.29Å; I267-S269 PolarHBondContact O-N 2.92Å; S269-M273 WeakPolarHBondContact O-CB 3.38Å; S269-M273 PolarHBondContact O-N 3.48Å
270V83.3Confident80.8Confident0 Ų069.6 Ų69.60%035%0.352CS..Hα-helixtrans-67.2-47.7175.6177.10000110.3L226 L230 L254 L258 L262 Q266 I267 K272 M273 I274L226-V270 HydrophobicContact CB-CG1 4.36Å; L226-V270 HydrophobicContact CB-CG2 4.24Å; L226-V270 HydrophobicContact CD1-CG1 4.18Å; L226-V270 HydrophobicContact CD1-CG2 4.09Å; L230-V270 HydrophobicContact CD1-CG1 4.48Å; L254-V270 HydrophobicContact CD2-CG1 4.49Å; L258-V270 HydrophobicContact CD2-CB 3.93Å; L258-V270 HydrophobicContact CD2-CG1 3.83Å; L262-V270 HydrophobicContact CD1-CG2 4.43Å; Q266-V270 WeakPolarHBondContact O-CG2 3.47Å; Q266-V270 PolarHBondContact O-N 3.2Å; I267-V270 PolarHBondContact O-N 2.93Å; I267-V270 VanDerWaalsContact O-N 3.13Å; V270-K272 VanDerWaalsContact C-N 3.34Å; V270-K272 PolarHBondContact O-N 2.92Å; V270-M273 CarbonylContact O-C 3.58Å; V270-M273 WeakPolarHBondContact O-CA 3.47Å; V270-M273 WeakPolarHBondContact O-CB 3.42Å; V270-M273 PolarHBondContact O-N 3Å; V270-I274 HydrophobicContact CG1-CD1 4.11Å; V270-I274 WeakPolarHBondContact O-CG1 3.4Å; V270-I274 PolarHBondContact O-N 3.18Å
271Q84.1Confident80.8Confident38 Ų3864.2 Ų64.218%0.17832%0.317CS..Hα-helixtrans-59.2-43.8177-69.8177.8-36.300112.2Y255 L258 I267 M273 I274 R275Y255-Q271 HydrophobicContact CD2-CB 4.45Å; Y255-Q271 HydrophobicContact CD2-CG 3.89Å; Y255-Q271 HydrophobicContact CE2-CB 3.94Å; Y255-Q271 HydrophobicContact CE2-CG 3.53Å; L258-Q271 HydrophobicContact CD1-CG 4.24Å; I267-Q271 HydrophobicContact CG2-CG 4.28Å; I267-Q271 WeakPolarHBondContact O-CG 3.38Å; I267-Q271 PolarHBondContact O-N 2.8Å; Q271-M273 VanDerWaalsContact C-N 3.29Å; Q271-M273 PolarHBondContact O-N 2.78Å; Q271-I274 PolarHBondContact O-N 3Å; Q271-R275 PolarHBondContact O-N 2.94Å
272K83.2Confident80.6Confident136 Ų13661.4 Ų61.459%0.59130%0.297SS*.Hα-helixtrans-62-39174.1-176.3173.5-178.6171.70111.5R268 V270 R275 L276R268-K272 WeakPolarHBondContact O-CB 3.46Å; R268-K272 PolarHBondContact O-N 3.41Å; V270-K272 VanDerWaalsContact C-N 3.34Å; V270-K272 PolarHBondContact O-N 2.92Å; K272-R275 PolarHBondContact O-N 3.44Å; K272-L276 HydrophobicContact CG-CD1 4.04Å; K272-L276 HydrophobicContact CG-CG 4.46Å; K272-L276 WeakPolarHBondContact O-CB 3.21Å; K272-L276 WeakPolarHBondContact O-CG 3.37Å; K272-L276 PolarHBondContact O-N 3.39Å
273M84.6Confident80.1Confident47 Ų4765.1 Ų65.123%0.23232%0.321CS..Hα-helixtrans-64.3-46.7175.7-173.355.478.300111I227 L230 S269 V270 Q271 R275 L276 Q277I227-M273 HydrophobicContact CG1-CB 4.25Å; I227-M273 HydrophobicContact CG1-CG 4.33Å; I227-M273 HydrophobicContact CG2-CE 3.55Å; I227-M273 HydrophobicContact CG2-CG 4.28Å; L230-M273 HydrophobicContact CD1-CG 4.31Å; S269-M273 WeakPolarHBondContact O-CB 3.38Å; S269-M273 PolarHBondContact O-N 3.48Å; V270-M273 CarbonylContact O-C 3.58Å; V270-M273 WeakPolarHBondContact O-CA 3.47Å; V270-M273 WeakPolarHBondContact O-CB 3.42Å; V270-M273 PolarHBondContact O-N 3Å; Q271-M273 VanDerWaalsContact C-N 3.29Å; Q271-M273 PolarHBondContact O-N 2.78Å; M273-R275 VanDerWaalsContact C-N 3.34Å; M273-R275 PolarHBondContact O-N 3.19Å; M273-L276 PolarHBondContact O-N 2.82Å; M273-Q277 HydrophobicContact CG-CG 3.98Å; M273-Q277 VanDerWaalsContact O-CB 3.3Å; M273-Q277 WeakPolarHBondContact O-CB 3.44Å; M273-Q277 WeakPolarHBondContact O-CG 3.43Å; M273-Q277 PolarHBondContact O-N 3.48Å; M273-Q277 HydrophobicContact SD-CG 3.81Å
274I84Confident79.5Confident3 Ų364.5 Ų64.52%0.01532%0.315CS..Hα-helixtrans-55-49.5175.1-66168.3000110.3L230 L254 Y255 V270 Q271 L276 Q277 L278L230-I274 HydrophobicContact CD1-CG1 3.66Å; L230-I274 HydrophobicContact CD2-CG1 4.45Å; L254-I274 HydrophobicContact CD2-CD1 4.23Å; L254-I274 HydrophobicContact CG-CD1 4.42Å; Y255-I274 HydrophobicContact CD2-CD1 4.5Å; V270-I274 HydrophobicContact CG1-CD1 4.11Å; V270-I274 WeakPolarHBondContact O-CG1 3.4Å; V270-I274 PolarHBondContact O-N 3.18Å; Q271-I274 PolarHBondContact O-N 3Å; I274-L276 PolarHBondContact O-N 3.24Å; I274-Q277 PolarHBondContact O-N 3.15Å; I274-L278 HydrophobicContact CG2-CD1 3.88Å; I274-L278 HydrophobicContact CG2-CG 4.33Å; I274-L278 WeakPolarHBondContact O-CB 3.38Å; I274-L278 VanDerWaalsContact O-CG 3.29Å; I274-L278 WeakPolarHBondContact O-CG 3.45Å; I274-L278 PolarHBondContact O-N 3.41Å
275R82.5Confident79.1Confident55 Ų5563.4 Ų63.421%0.20832%0.32CS..Hα-helixtrans-59.7-47.7177.6-73.6-173.6-172.1152.37.7112.6Q271 K272 M273 Q277 L278 Q279 L298 L301 D305Q271-R275 PolarHBondContact O-N 2.94Å; K272-R275 PolarHBondContact O-N 3.44Å; M273-R275 VanDerWaalsContact C-N 3.34Å; M273-R275 PolarHBondContact O-N 3.19Å; R275-Q277 VanDerWaalsContact C-N 3.31Å; R275-Q277 PolarHBondContact O-N 2.97Å; R275-L278 PolarHBondContact O-N 3.37Å; R275-Q279 WeakPolarHBondContact O-CB 3.47Å; R275-Q279 VanDerWaalsContact O-CG 3.26Å; R275-Q279 WeakPolarHBondContact O-CG 3.33Å; R275-Q279 PolarHBondContact O-N 3.32Å; R275-L298 HydrophobicContact CB-CD2 4.4Å; R275-L298 HydrophobicContact CG-CD2 4.31Å; R275-L301 HydrophobicContact CG-CD1 4.37Å; R275-L301 PolarHBondContact NH2-O 3.38Å; R275-D305 IonicContact CZ-OD2 2.88Å; R275-D305 IonicContact NH1-OD2 2.89Å; R275-D305 PolarHBondContact NH1-OD2 3.17Å; R275-D305 IonicContact NH2-OD2 3.08Å; R275-D305 PolarHBondContact NH2-OD2 3.26Å
276L79.9Confident78.6Confident85 Ų8560.6 Ų60.645%0.44530%0.302SS..Hα-helixtrans-62.7-40179.3-77.5170.3000111.9K272 M273 I274 H280K272-L276 HydrophobicContact CG-CD1 4.04Å; K272-L276 HydrophobicContact CG-CG 4.46Å; K272-L276 WeakPolarHBondContact O-CB 3.21Å; K272-L276 WeakPolarHBondContact O-CG 3.37Å; K272-L276 PolarHBondContact O-N 3.39Å; M273-L276 PolarHBondContact O-N 2.82Å; I274-L276 PolarHBondContact O-N 3.24Å; L276-H280 VanDerWaalsContact O-CB 3.27Å; L276-H280 WeakPolarHBondContact O-CB 3.49Å; L276-H280 PolarHBondContact O-N 3.07Å
277Q80.1Confident77.9Confident20 Ų2057.5 Ų57.59%0.09329%0.288CS..Hα-helixtrans-65.3-47.6177.6-66.8-97.8-40.500110.5L230 D231 L234 M273 I274 R275 H280 F281L230-Q277 PolarHBondContact O-OE1 2.89Å; D231-Q277 PolarHBondContact OD1-NE2 3.16Å; D231-Q277 VanDerWaalsContact OD1-NE2 3.11Å; L234-Q277 HydrophobicContact CD2-CB 4.08Å; L234-Q277 HydrophobicContact CD2-CG 4.33Å; M273-Q277 HydrophobicContact CG-CG 3.98Å; M273-Q277 VanDerWaalsContact O-CB 3.3Å; M273-Q277 WeakPolarHBondContact O-CB 3.44Å; M273-Q277 WeakPolarHBondContact O-CG 3.43Å; M273-Q277 PolarHBondContact O-N 3.48Å; M273-Q277 HydrophobicContact SD-CG 3.81Å; I274-Q277 PolarHBondContact O-N 3.15Å; R275-Q277 VanDerWaalsContact C-N 3.31Å; R275-Q277 PolarHBondContact O-N 2.97Å; Q277-H280 PolarHBondContact O-N 2.74Å; Q277-F281 VanDerWaalsContact O-CB 3.3Å; Q277-F281 WeakPolarHBondContact O-CB 3.48Å; Q277-F281 PolarHBondContact O-N 3.2Å
278L82.1Confident77.4Confident9 Ų962.9 Ų62.95%0.04731%0.305CS..Hα-helixtrans-61.7-44.2175.9-71.6176.5000112.1L248 I274 R275 F281 M282 I294 M297 L298 L301L248-L278 HydrophobicContact CD2-CD2 3.47Å; L248-L278 VanDerWaalsContact CD2-CD2 3.47Å; I274-L278 HydrophobicContact CG2-CD1 3.88Å; I274-L278 HydrophobicContact CG2-CG 4.33Å; I274-L278 WeakPolarHBondContact O-CB 3.38Å; I274-L278 VanDerWaalsContact O-CG 3.29Å; I274-L278 WeakPolarHBondContact O-CG 3.45Å; I274-L278 PolarHBondContact O-N 3.41Å; R275-L278 PolarHBondContact O-N 3.37Å; L278-F281 WeakPolarHBondContact O-CB 3.4Å; L278-F281 PolarHBondContact O-N 3.39Å; L278-M282 WeakPolarHBondContact O-CG 3.45Å; L278-M282 PolarHBondContact O-N 2.93Å; L278-I294 HydrophobicContact CB-CG2 3.96Å; L278-I294 HydrophobicContact CD2-CG2 4.21Å; L278-M297 HydrophobicContact CD1-SD 4.39Å; L278-L298 HydrophobicContact CB-CD2 4Å; L278-L298 HydrophobicContact CB-CG 4.32Å; L278-L298 HydrophobicContact CD1-CD2 4.24Å; L278-L301 HydrophobicContact CD1-CD1 3.77Å
279Q81.4Confident77.1Confident106 Ų10658.6 Ų58.650%0.49530%0.302SS..Hα-helixtrans-63.5-42.4175.1-75.5176.5-10.400112.1R275 F281 M282 L298R275-Q279 WeakPolarHBondContact O-CB 3.47Å; R275-Q279 VanDerWaalsContact O-CG 3.26Å; R275-Q279 WeakPolarHBondContact O-CG 3.33Å; R275-Q279 PolarHBondContact O-N 3.32Å; Q279-F281 VanDerWaalsContact C-N 3.29Å; Q279-F281 PolarHBondContact O-N 3Å; Q279-M282 WeakPolarHBondContact O-CB 3.39Å; Q279-M282 PolarHBondContact O-N 3.44Å; Q279-L298 HydrophobicContact CG-CD1 3.95Å; Q279-L298 HydrophobicContact CG-CD2 4.21Å
280H75.3Confident76.8Confident109 Ų10959.2 Ų59.251%0.50530%0.297SS..Hα-helixtrans-63.3-40.4174.9-174.751.8000110.7L276 Q277 M282 T283L276-H280 VanDerWaalsContact O-CB 3.27Å; L276-H280 WeakPolarHBondContact O-CB 3.49Å; L276-H280 PolarHBondContact O-N 3.07Å; Q277-H280 PolarHBondContact O-N 2.74Å; H280-M282 VanDerWaalsContact C-N 3.29Å; H280-M282 PolarHBondContact O-N 3.28Å; H280-T283 WeakPolarHBondContact O-CB 3.07Å; H280-T283 PolarHBondContact O-N 2.93Å; H280-T283 PolarHBondContact O-OG1 2.86Å
281F75Confident76.5Confident6 Ų664.2 Ų64.23%0.02632%0.32CS..Hα-helixtrans-63.6-33.2179.3-162.7-115.9000112.9L234 V237 I244 Q277 L278 Q279 T283 T284 A286 G287 I294L234-F281 HydrophobicContact CD1-CB 3.87Å; L234-F281 HydrophobicContact CD1-CD2 3.37Å; L234-F281 HydrophobicContact CD1-CE2 4.22Å; L234-F281 HydrophobicContact CD1-CG 3.86Å; V237-F281 HydrophobicContact CG1-CE2 4.41Å; V237-F281 HydrophobicContact CG1-CZ 4.34Å; I244-F281 HydrophobicContact CB-CZ 4.43Å; I244-F281 HydrophobicContact CD1-CE1 4.14Å; I244-F281 HydrophobicContact CD1-CZ 3.53Å; I244-F281 HydrophobicContact CG1-CE1 4.19Å; I244-F281 HydrophobicContact CG1-CZ 3.6Å; I244-F281 HydrophobicContact CG2-CE1 3.61Å; I244-F281 HydrophobicContact CG2-CZ 3.91Å; Q277-F281 VanDerWaalsContact O-CB 3.3Å; Q277-F281 WeakPolarHBondContact O-CB 3.48Å; Q277-F281 PolarHBondContact O-N 3.2Å; L278-F281 WeakPolarHBondContact O-CB 3.4Å; L278-F281 PolarHBondContact O-N 3.39Å; Q279-F281 VanDerWaalsContact C-N 3.29Å; Q279-F281 PolarHBondContact O-N 3Å; F281-T283 PolarHBondContact O-N 3.01Å; F281-T283 VanDerWaalsContact O-N 3.15Å; F281-T284 WeakPolarHBondContact CA-OG1 3.45Å; F281-T284 PolarHBondContact O-N 3.27Å; F281-T284 VanDerWaalsContact O-N 3.12Å; F281-T284 PolarHBondContact O-OG1 3.43Å; F281-A286 HydrophobicContact CZ-CB 4.32Å; F281-G287 WeakPolarHBondContact O-CA 3.41Å; F281-I294 HydrophobicContact CD1-CD1 3.6Å; F281-I294 HydrophobicContact CE1-CD1 4.13Å
282M73.5Confident76Confident41 Ų4166.5 Ų66.520%0.20234%0.341CS..Hα-helixtrans-60.1-24.1171.6-66.8-74.2-71.300113.3L278 Q279 H280 E291 I294L278-M282 WeakPolarHBondContact O-CG 3.45Å; L278-M282 PolarHBondContact O-N 2.93Å; Q279-M282 WeakPolarHBondContact O-CB 3.39Å; Q279-M282 PolarHBondContact O-N 3.44Å; H280-M282 VanDerWaalsContact C-N 3.29Å; H280-M282 PolarHBondContact O-N 3.28Å; M282-E291 HydrophobicContact CE-CB 3.82Å; M282-E291 HydrophobicContact CE-CG 3.43Å; M282-E291 VanDerWaalsContact CE-CG 3.43Å; M282-E291 HydrophobicContact SD-CB 4.1Å; M282-E291 HydrophobicContact SD-CG 4.37Å; M282-I294 HydrophobicContact CG-CB 4.36Å; M282-I294 HydrophobicContact CG-CG2 3.68Å; M282-I294 HydrophobicContact SD-CB 3.61Å; M282-I294 HydrophobicContact SD-CD1 3.86Å; M282-I294 HydrophobicContact SD-CG1 4.38Å; M282-I294 HydrophobicContact SD-CG2 3.6Å; M282-I294 VanDerWaalsContact SD-CG2 3.6Å
283T71.6Confident75.7Confident92 Ų9263 Ų6356%0.56433%0.331SS*.Hα-helixtrans-82.7-23.7178.571.70000113H280 F281H280-T283 WeakPolarHBondContact O-CB 3.07Å; H280-T283 PolarHBondContact O-N 2.93Å; H280-T283 PolarHBondContact O-OG1 2.86Å; F281-T283 PolarHBondContact O-N 3.01Å; F281-T283 VanDerWaalsContact O-N 3.15Å
284T69.9Low75.4Confident39 Ų3960.8 Ų60.824%0.23932%0.32CS..SBendtrans-76.2146.8175.522.80000111.3F281 A286 G287 R288F281-T284 WeakPolarHBondContact CA-OG1 3.45Å; F281-T284 PolarHBondContact O-N 3.27Å; F281-T284 VanDerWaalsContact O-N 3.12Å; F281-T284 PolarHBondContact O-OG1 3.43Å; T284-A286 PolarHBondContact O-N 3.1Å; T284-G287 PolarHBondContact O-N 3.25Å; T284-R288 PolarHBondContact O-N 3.25Å
285T69.5Low75.2Confident125 Ų12562.8 Ų62.877%0.76734%0.337SS*.THydrogen-bonded Turntrans-55-37178.237.70000112.7
286A66.5Low74.9Confident18 Ų1864.3 Ų64.315%0.14935%0.353CS..THydrogen-bonded Turntrans-70.4-31177.800000113.8P241 I244 F281 T284 S289P241-A286 HydrophobicContact CB-CB 4.17Å; I244-A286 HydrophobicContact CD1-CB 4.06Å; F281-A286 HydrophobicContact CZ-CB 4.32Å; T284-A286 PolarHBondContact O-N 3.1Å; A286-S289 PolarHBondContact O-OG 2.84Å
287G69.4Low74.7Confident0 Ų060.7 Ų60.70%033%0.334CS..G310 helixtrans-77.2-22.5179.100000113.8F281 T284 S289 Y290 E291F281-G287 WeakPolarHBondContact O-CA 3.41Å; T284-G287 PolarHBondContact O-N 3.25Å; G287-S289 PolarHBondContact O-N 3.26Å; G287-Y290 CarbonylContact O-C 3.47Å; G287-Y290 WeakPolarHBondContact O-CA 3.47Å; G287-Y290 PolarHBondContact O-N 3.35Å; G287-E291 PolarHBondContact O-N 3.23Å; G287-E291 VanDerWaalsContact O-N 3.16Å
288R71.5Confident74.6Confident159 Ų15961.3 Ų61.360%0.634%0.337SS*.G310 helixtrans-60.5-29.7176.6-66.5-174-174.8-177.92.4113.5T284 Y290 E291T284-R288 PolarHBondContact O-N 3.25Å; R288-Y290 PolarHBondContact O-N 2.93Å; R288-E291 VanDerWaalsContact O-CB 3.29Å; R288-E291 WeakPolarHBondContact O-CB 3.22Å; R288-E291 PolarHBondContact O-N 3.17Å
289S72Confident74.2Confident89 Ų8963.7 Ų63.762%0.62235%0.354SS*.G310 helixtrans-71.1-17.3175.257.80000113.3A286 G287A286-S289 PolarHBondContact O-OG 2.84Å; G287-S289 PolarHBondContact O-N 3.26Å
290Y73.6Confident73.4Confident67 Ų6761.9 Ų61.926%0.26335%0.354SS..G310 helixtrans-11114.2176.9-66.1-89.6000111.9I244 A245 L248 G287 R288 S292 T293 I294I244-Y290 HydrophobicContact CB-CD2 4.24Å; I244-Y290 HydrophobicContact CB-CE2 3.82Å; I244-Y290 HydrophobicContact CD1-CD2 3.98Å; I244-Y290 HydrophobicContact CD1-CE2 3.67Å; I244-Y290 HydrophobicContact CG1-CE2 4.34Å; I244-Y290 HydrophobicContact CG2-CD1 4.33Å; I244-Y290 HydrophobicContact CG2-CD2 3.62Å; I244-Y290 HydrophobicContact CG2-CE1 4.39Å; I244-Y290 HydrophobicContact CG2-CE2 3.71Å; I244-Y290 HydrophobicContact CG2-CG 3.95Å; A245-Y290 HydrophobicContact CB-CE1 4.37Å; L248-Y290 HydrophobicContact CD1-CD1 4Å; L248-Y290 HydrophobicContact CD1-CG 4.16Å; G287-Y290 CarbonylContact O-C 3.47Å; G287-Y290 WeakPolarHBondContact O-CA 3.47Å; G287-Y290 PolarHBondContact O-N 3.35Å; R288-Y290 PolarHBondContact O-N 2.93Å; Y290-S292 VanDerWaalsContact C-N 3.28Å; Y290-S292 PolarHBondContact O-N 3.41Å; Y290-T293 PolarHBondContact O-N 3.06Å; Y290-I294 WeakPolarHBondContact O-CG1 3.21Å; Y290-I294 PolarHBondContact O-N 3.3Å
291E76Confident72.9Confident104 Ų10457 Ų5749%0.48633%0.331SS..Hα-helixtrans-55.3-41.3-174.5162.6157.1-147.500112.3M282 G287 R288 A295M282-E291 HydrophobicContact CE-CB 3.82Å; M282-E291 HydrophobicContact CE-CG 3.43Å; M282-E291 VanDerWaalsContact CE-CG 3.43Å; M282-E291 HydrophobicContact SD-CB 4.1Å; M282-E291 HydrophobicContact SD-CG 4.37Å; G287-E291 PolarHBondContact O-N 3.23Å; G287-E291 VanDerWaalsContact O-N 3.16Å; R288-E291 VanDerWaalsContact O-CB 3.29Å; R288-E291 WeakPolarHBondContact O-CB 3.22Å; R288-E291 PolarHBondContact O-N 3.17Å; E291-A295 WeakPolarHBondContact O-CB 3.4Å; E291-A295 PolarHBondContact O-N 3.19Å
292S75.1Confident72.2Confident87 Ų8759.6 Ų59.661%0.60835%0.35SS*.Hα-helixtrans-62.2-46.4175.757.50000112.3Y290 A295 T296Y290-S292 VanDerWaalsContact C-N 3.28Å; Y290-S292 PolarHBondContact O-N 3.41Å; S292-A295 PolarHBondContact O-N 3.22Å; S292-T296 WeakPolarHBondContact O-CG2 3.47Å; S292-T296 PolarHBondContact O-N 3.34Å; S292-T296 PolarHBondContact O-OG1 3.31Å; S292-T296 VanDerWaalsContact O-OG1 3.05Å
293T76.3Confident70.9Confident62 Ų6263.1 Ų63.138%0.3837%0.37SS..Hα-helixtrans-68.5-41.4-177.3-470000111.6Y290 T296 M297Y290-T293 PolarHBondContact O-N 3.06Å; T293-T296 VanDerWaalsContact C-OG1 3.29Å; T293-T296 VanDerWaalsContact CA-OG1 3.31Å; T293-T296 WeakPolarHBondContact CA-OG1 3.29Å; T293-T296 PolarHBondContact O-N 3.36Å; T293-T296 PolarHBondContact O-OG1 2.87Å; T293-M297 PolarHBondContact O-N 3.31Å
294I78.7Confident69.9Low0 Ų062.2 Ų62.20%037%0.372CS..Hα-helixtrans-71.4-38.7177.9-62.4159.4000110.2L248 L278 F281 M282 Y290 M297 L298L248-I294 HydrophobicContact CD1-CG1 4.11Å; L248-I294 HydrophobicContact CD2-CG1 4.06Å; L278-I294 HydrophobicContact CB-CG2 3.96Å; L278-I294 HydrophobicContact CD2-CG2 4.21Å; F281-I294 HydrophobicContact CD1-CD1 3.6Å; F281-I294 HydrophobicContact CE1-CD1 4.13Å; M282-I294 HydrophobicContact CG-CB 4.36Å; M282-I294 HydrophobicContact CG-CG2 3.68Å; M282-I294 HydrophobicContact SD-CB 3.61Å; M282-I294 HydrophobicContact SD-CD1 3.86Å; M282-I294 HydrophobicContact SD-CG1 4.38Å; M282-I294 HydrophobicContact SD-CG2 3.6Å; M282-I294 VanDerWaalsContact SD-CG2 3.6Å; Y290-I294 WeakPolarHBondContact O-CG1 3.21Å; Y290-I294 PolarHBondContact O-N 3.3Å; I294-M297 PolarHBondContact O-N 3.38Å; I294-L298 HydrophobicContact CG2-CD1 3.9Å; I294-L298 HydrophobicContact CG2-CG 4.22Å; I294-L298 WeakPolarHBondContact O-CB 3.42Å; I294-L298 WeakPolarHBondContact O-CG 3.41Å; I294-L298 PolarHBondContact O-N 2.78Å
295A79.7Confident68.4Low46 Ų4664.3 Ų64.338%0.3838%0.381SS..Hα-helixtrans-63.8-41.7174.400000111.6E291 S292 L298 S299E291-A295 WeakPolarHBondContact O-CB 3.4Å; E291-A295 PolarHBondContact O-N 3.19Å; S292-A295 PolarHBondContact O-N 3.22Å; A295-L298 PolarHBondContact O-N 3.34Å; A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 2.98Å; A295-S299 PolarHBondContact O-OG 3.24Å
296T77Confident66.9Low87 Ų8763.4 Ų63.453%0.53438%0.381SS..Hα-helixtrans-62.1-44.5173.846.10000111.4S292 T293 S299 S300S292-T296 WeakPolarHBondContact O-CG2 3.47Å; S292-T296 PolarHBondContact O-N 3.34Å; S292-T296 PolarHBondContact O-OG1 3.31Å; S292-T296 VanDerWaalsContact O-OG1 3.05Å; T293-T296 VanDerWaalsContact C-OG1 3.29Å; T293-T296 VanDerWaalsContact CA-OG1 3.31Å; T293-T296 WeakPolarHBondContact CA-OG1 3.29Å; T293-T296 PolarHBondContact O-N 3.36Å; T293-T296 PolarHBondContact O-OG1 2.87Å; T296-S299 PolarHBondContact O-N 3.37Å; T296-S299 PolarHBondContact O-OG 2.92Å; T296-S300 PolarHBondContact O-N 3.26Å; T296-S300 PolarHBondContact O-OG 3.09Å
297M74.7Confident65.1Low9 Ų969.2 Ų69.24%0.04441%0.409CS..Hα-helixtrans-59.7-52.6172.7-97.5-157.8-90.900111.4L248 E252 L278 T293 I294 S299 S300 L301L248-M297 HydrophobicContact CB-CE 3.72Å; L248-M297 HydrophobicContact CD2-CE 3.72Å; L248-M297 HydrophobicContact CG-CE 4.17Å; E252-M297 HydrophobicContact CB-SD 3.99Å; E252-M297 HydrophobicContact CG-SD 4.44Å; L278-M297 HydrophobicContact CD1-SD 4.39Å; T293-M297 PolarHBondContact O-N 3.31Å; I294-M297 PolarHBondContact O-N 3.38Å; M297-S299 PolarHBondContact O-N 2.97Å; M297-S300 PolarHBondContact O-N 3.38Å; M297-S300 VanDerWaalsContact O-N 3.15Å; M297-S300 PolarHBondContact O-OG 2.81Å; M297-L301 HydrophobicContact CB-CD1 4.41Å; M297-L301 VanDerWaalsContact O-CB 3.26Å; M297-L301 WeakPolarHBondContact O-CB 3.44Å; M297-L301 WeakPolarHBondContact O-CD1 3.3Å; M297-L301 WeakPolarHBondContact O-CG 3.33Å; M297-L301 PolarHBondContact O-N 3.44Å
298L79Confident63.2Low33 Ų3378.5 Ų78.517%0.17345%0.45CS..Hα-helixtrans-58.6-35.5179.7-74172.6000112.5R275 L278 Q279 I294 A295 L301 S302R275-L298 HydrophobicContact CB-CD2 4.4Å; R275-L298 HydrophobicContact CG-CD2 4.31Å; L278-L298 HydrophobicContact CB-CD2 4Å; L278-L298 HydrophobicContact CB-CG 4.32Å; L278-L298 HydrophobicContact CD1-CD2 4.24Å; Q279-L298 HydrophobicContact CG-CD1 3.95Å; Q279-L298 HydrophobicContact CG-CD2 4.21Å; I294-L298 HydrophobicContact CG2-CD1 3.9Å; I294-L298 HydrophobicContact CG2-CG 4.22Å; I294-L298 WeakPolarHBondContact O-CB 3.42Å; I294-L298 WeakPolarHBondContact O-CG 3.41Å; I294-L298 PolarHBondContact O-N 2.78Å; A295-L298 PolarHBondContact O-N 3.34Å; L298-L301 HydrophobicContact CD2-CD1 4.23Å; L298-S302 WeakPolarHBondContact O-CB 3.37Å; L298-S302 PolarHBondContact O-N 3.06Å; L298-S302 PolarHBondContact O-OG 3.47Å
299S72.7Confident61.3Low58 Ų5876.5 Ų76.541%0.40646%0.457SS..Hα-helixtrans-67.7-46.4175.575.20000112.3A295 T296 M297 L301 S302 N303A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 2.98Å; A295-S299 PolarHBondContact O-OG 3.24Å; T296-S299 PolarHBondContact O-N 3.37Å; T296-S299 PolarHBondContact O-OG 2.92Å; M297-S299 PolarHBondContact O-N 2.97Å; S299-L301 VanDerWaalsContact C-N 3.29Å; S299-L301 PolarHBondContact O-N 2.99Å; S299-S302 PolarHBondContact O-N 3.02Å; S299-S302 VanDerWaalsContact O-N 3.14Å; S299-S302 PolarHBondContact O-OG 3.46Å; S299-N303 PolarHBondContact O-N 3.26Å; S299-N303 PolarHBondContact O-ND2 3.31Å
300S64.6Low59.1Low68 Ų6881.2 Ų81.248%0.47647%0.469SS..Hα-helixtrans-63.9-38.4176.166.90000111.2T296 M297 S302T296-S300 PolarHBondContact O-N 3.26Å; T296-S300 PolarHBondContact O-OG 3.09Å; M297-S300 PolarHBondContact O-N 3.38Å; M297-S300 VanDerWaalsContact O-N 3.15Å; M297-S300 PolarHBondContact O-OG 2.81Å; S300-S302 VanDerWaalsContact C-N 3.34Å; S300-S302 PolarHBondContact O-N 3.33Å
301L65Low56.9Low6 Ų684.6 Ų84.63%0.03150%0.497CS..Hα-helixtrans-63-37.1174.3-65.5170.1000111.9Y255 R275 L278 M297 L298 S299Y255-L301 HydrophobicContact CD1-CD2 3.31Å; Y255-L301 HydrophobicContact CD2-CD2 3.22Å; Y255-L301 HydrophobicContact CE1-CD2 3.28Å; Y255-L301 HydrophobicContact CE2-CD2 3.17Å; Y255-L301 HydrophobicContact CE2-CG 4.48Å; Y255-L301 HydrophobicContact CG-CD2 3.26Å; Y255-L301 PolarHBondContact OH-O 3.17Å; R275-L301 HydrophobicContact CG-CD1 4.37Å; R275-L301 PolarHBondContact NH2-O 3.38Å; L278-L301 HydrophobicContact CD1-CD1 3.77Å; M297-L301 HydrophobicContact CB-CD1 4.41Å; M297-L301 VanDerWaalsContact O-CB 3.26Å; M297-L301 WeakPolarHBondContact O-CB 3.44Å; M297-L301 WeakPolarHBondContact O-CD1 3.3Å; M297-L301 WeakPolarHBondContact O-CG 3.33Å; M297-L301 PolarHBondContact O-N 3.44Å; L298-L301 HydrophobicContact CD2-CD1 4.23Å; S299-L301 VanDerWaalsContact C-N 3.29Å; S299-L301 PolarHBondContact O-N 2.99Å
302S59.1Low54.4Low62 Ų6288.4 Ų88.443%0.43452%0.515SS..Hα-helixtrans-76.2-34.8-17770.20000114L298 S299 S300 A304 D305L298-S302 WeakPolarHBondContact O-CB 3.37Å; L298-S302 PolarHBondContact O-N 3.06Å; L298-S302 PolarHBondContact O-OG 3.47Å; S299-S302 PolarHBondContact O-N 3.02Å; S299-S302 VanDerWaalsContact O-N 3.14Å; S299-S302 PolarHBondContact O-OG 3.46Å; S300-S302 VanDerWaalsContact C-N 3.34Å; S300-S302 PolarHBondContact O-N 3.33Å; S302-A304 PolarHBondContact O-N 3.05Å; S302-D305 PolarHBondContact O-N 3.24Å
303N47.5Very low52Low114 Ų11492.2 Ų92.261%0.6153%0.527SS*.Hα-helixtrans-65.3-25.6-175.8-70.9-20.5000113S299 D305 S306S299-N303 PolarHBondContact O-N 3.26Å; S299-N303 PolarHBondContact O-ND2 3.31Å; N303-D305 PolarHBondContact O-N 2.84Å; N303-S306 PolarHBondContact O-OG 3.23Å
304A49.2Very low49.6Very low73 Ų7395.7 Ų95.760%0.60354%0.543SS*.THydrogen-bonded Turntrans-69.4-13.9178.600000114.5S302S302-A304 PolarHBondContact O-N 3.05Å
305D40.3Very low47Very low83 Ų83105.5 Ų105.544%0.44459%0.586SS.*THydrogen-bonded Turntrans-103.117.7-176.1-80.8-23.9000113.5R275 S302 N303 D307R275-D305 IonicContact CZ-OD2 2.88Å; R275-D305 IonicContact NH1-OD2 2.89Å; R275-D305 PolarHBondContact NH1-OD2 3.17Å; R275-D305 IonicContact NH2-OD2 3.08Å; R275-D305 PolarHBondContact NH2-OD2 3.26Å; S302-D305 PolarHBondContact O-N 3.24Å; N303-D305 PolarHBondContact O-N 2.84Å; D305-D307 CarbonylContact O-C 3.5Å; D305-D307 PolarHBondContact O-N 3.19Å
306S36.3Very low44.5Very low107 Ų107112.4 Ų112.475%0.74860%0.604SS**  trans-65.71.6-176.931.10000115.5N303N303-S306 PolarHBondContact O-OG 3.23Å
307D28.6Very low41.9Very low139 Ų139114 Ų11474%0.74361%0.614SS**SBendtrans-96.7109.5159.8-70.6-33.1000109.8D305D305-D307 CarbonylContact O-C 3.5Å; D305-D307 PolarHBondContact O-N 3.19Å
308F30.5Very low39.6Very low195 Ų195122.4 Ų122.486%0.85565%0.653SS**SBendtrans118127.3160.8-63.4-72.3000116.8
309P31.7Very low36.8Very low118 Ų118131.7 Ų131.777%0.76669%0.685SS**  trans-85.5153.5-16435.2-36.2000114.6
310E26.2Very low34.5Very low187 Ų187138.2 Ų138.287%0.87471%0.706SS**  trans-39.6129.9176.2-87.8171.7131.100115.9
311V27.1Very low32.5Very low138 Ų138146.3 Ų146.384%0.83673%0.726SS**  trans-107118.3152.5176.50000107L313V311-L313 PolarHBondContact O-N 2.98Å
312Q23.6Very low30.5Very low185 Ų185151 Ų15186%0.86476%0.759SS**  trans-51.1129.9-179.1-74.6169.8-18.900112D314Q312-D314 PolarHBondContact O-N 3.08Å
313L25Very low28.8Very low166 Ų166156.1 Ų156.187%0.86978%0.781SS**  trans-89.488.1-174.4-161.584.9000109.7V311V311-L313 PolarHBondContact O-N 2.98Å
314D24.7Very low27.6Very low135 Ų135161.5 Ų161.572%0.72279%0.793SS**  trans-69.8132.6162.9-88-27.8000109.9Q312 Y316Q312-D314 PolarHBondContact O-N 3.08Å; D314-Y316 WeakPolarHBondContact O-CD2 3.36Å; D314-Y316 PolarHBondContact O-N 3.36Å
315K23.9Very low26.3Very low207 Ų207163.1 Ų163.190%0.980%0.8SS**  trans-56.891.1-173.2-64.7171.5179.5173.90111.3
316Y28Very low25.6Very low190 Ų190165.8 Ų165.875%0.74581%0.814SS**  trans-103.2112.4173.7-92.4-84.7000112.2D314D314-Y316 WeakPolarHBondContact O-CD2 3.36Å; D314-Y316 PolarHBondContact O-N 3.36Å
317T23.4Very low25Very low121 Ų121168.9 Ų168.974%0.74282%0.817SS**  trans-49.813716346.50000112.4R319T317-R319 PolarHBondContact O-N 3.43Å
318H24.7Very low24.7Very low186 Ų186170.4 Ų170.486%0.86182%0.819SS**  trans-2293.5175.7-63.4-84.1000116.3K320H318-K320 VanDerWaalsContact C-N 3.34Å; H318-K320 PolarHBondContact O-N 2.95Å
319R21.6Very low24.5Very low227 Ų227166.3 Ų166.386%0.85782%0.815SS**  trans-70.492.8157.7-88.2-178.5171174-2108.6T317 R321T317-R319 PolarHBondContact O-N 3.43Å; R319-R321 PolarHBondContact O-N 2.65Å; R319-R321 VanDerWaalsContact O-N 3.09Å
320K23.3Very low24Very low196 Ų196172.5 Ų172.585%0.85282%0.823SS**  trans-59110.6162-80.2-175.7174.2-176.30107.9H318 S322H318-K320 VanDerWaalsContact C-N 3.34Å; H318-K320 PolarHBondContact O-N 2.95Å; K320-S322 PolarHBondContact O-N 2.96Å
321R23.3Very low24Very low237 Ų237169.5 Ų169.589%0.89482%0.823SS**  trans-59.6104166.9-98.3177.3170.4168.5-4.1107.5R319 L323R319-R321 PolarHBondContact O-N 2.65Å; R319-R321 VanDerWaalsContact O-N 3.09Å; R321-L323 PolarHBondContact O-N 3.43Å; R321-L323 VanDerWaalsContact O-N 3.13Å
322S22.4Very low23.8Very low104 Ų104167.5 Ų167.573%0.72782%0.82SS**  trans-58.6111.1162.7-172.50000107.1K320 R324K320-S322 PolarHBondContact O-N 2.96Å; S322-R324 VanDerWaalsContact C-N 3.33Å; S322-R324 PolarHBondContact O-N 3.49Å
323L24.2Very low23.7Very low171 Ų171163.7 Ų163.790%0.89581%0.814SS**  trans-54.9101.4162.8-81144.4000106.6R321 S325R321-L323 PolarHBondContact O-N 3.43Å; R321-L323 VanDerWaalsContact O-N 3.13Å; L323-S325 PolarHBondContact O-N 3.42Å
324R21.5Very low23.6Very low227 Ų227162.3 Ų162.386%0.85781%0.813SS**  trans-71.6120.6171.4-82.6-176.3168.9-178.3-4.1107S322 N326S322-R324 VanDerWaalsContact C-N 3.33Å; S322-R324 PolarHBondContact O-N 3.49Å; R324-N326 PolarHBondContact O-N 2.94Å
325S22.9Very low23.5Very low107 Ų107163.6 Ų163.675%0.74882%0.819SS**  trans-51.6113.8166.739.90000109.3L323 E327L323-S325 PolarHBondContact O-N 3.42Å; S325-E327 PolarHBondContact O-N 3.09Å
326N25.7Very low23.6Very low139 Ų139159.4 Ų159.474%0.74381%0.813SS**  trans-72.591.4174.7-104.70.3000109.3R324 H328R324-N326 PolarHBondContact O-N 2.94Å; N326-H328 PolarHBondContact O-N 3.22Å; N326-H328 PolarHBondContact O-ND1 3.21Å; N326-H328 VanDerWaalsContact O-ND1 3.11Å
327E23Very low23.5Very low171 Ų171155.9 Ų155.980%0.79981%0.808SS**  trans-66.6105.7158.2-73.8-179.1164.600108.3S325 S329S325-E327 PolarHBondContact O-N 3.09Å; E327-S329 PolarHBondContact O-N 2.98Å
328H22.7Very low23.9Very low171 Ų171155.8 Ų155.879%0.79281%0.809SS**  trans-72.891.6174.8-76.464.3000109.3N326N326-H328 PolarHBondContact O-N 3.22Å; N326-H328 PolarHBondContact O-ND1 3.21Å; N326-H328 VanDerWaalsContact O-ND1 3.11Å
329S25.6Very low23.9Very low109 Ų109156.6 Ų156.676%0.76281%0.805SS**  trans-116.1115.9168-65.70000110.5E327E327-S329 PolarHBondContact O-N 2.98Å
330R22.5Very low24Very low249 Ų249155.7 Ų155.794%0.9481%0.807SS**  trans-44.1130.8176.6-63.5162.1171.5170.9-3.8113.2
331S24.8Very low23.9Very low124 Ų124156.9 Ų156.987%0.86781%0.806SS**  trans-173.6139.9137.5380000110.5
332A22.4Very low24.1Very low95 Ų95151.7 Ų151.779%0.78580%0.803SS**  trans-91.4158-160.300000113.6
333S22.4Very low24.1Very low106 Ų106156.6 Ų156.674%0.74181%0.811SS**  trans58.3103.8137.4-178.90000118.7
334T23.7Very low24Very low136 Ų136160.2 Ų160.283%0.83481%0.813SS**  -160.9111.1121.10.60000110.9P336T334-P336 WeakPolarHBondContact O-CD 3.47Å
335N21.9Very low24.1Very low162 Ų162158 Ų15887%0.86681%0.812SS**  trans-61137.3166-100.8-33.2000110.9
336P26Very low24.1Very low119 Ų119160 Ų16077%0.77382%0.815SS**  trans-116.6114.8143.821.2-2.7000109.8T334T334-P336 WeakPolarHBondContact O-CD 3.47Å
337D26.6Very low24Very low117 Ų117161 Ų16163%0.62682%0.818SS**  trans-55.3129.4178.9-171.20.7000112.8R339D337-R339 IonicContact OD1-NE 2.73Å
338P31.5Very low23.9Very low118 Ų118159.1 Ų159.177%0.76681%0.813SS**  trans-93.4100.4-179.534.5-30.2000111.7
339R23.8Very low24Very low204 Ų204157.5 Ų157.577%0.7782%0.815SS**  trans-139.5102.3166.7-65.1-176.3-170.5-172.9-0.4111.7D337D337-R339 IonicContact OD1-NE 2.73Å
340K24.4Very low24.1Very low207 Ų207158.6 Ų158.690%0.981%0.812SS**  trans168.690.5134.4-90.5163.9-174.4-174.40109.8
341R21.7Very low24.3Very low221 Ų221152 Ų15283%0.83480%0.802SS**PPolyproline II helixtrans-95130.2157.4-79.9-177174.2161.53.1108.1
342P26.3Very low24.3Very low128 Ų128152.2 Ų152.283%0.83180%0.8SS**PPolyproline II helixtrans-82.9127.8166.731.1-26000109.6
343K22.5Very low24.4Very low208 Ų208156.1 Ų156.190%0.90480%0.802SS**PPolyproline II helixtrans-63.7137.3170-79.8173.1167.5-178.90109.8
344R23.4Very low24.7Very low247 Ų247157 Ų15793%0.93281%0.805SS**  trans-131.3134.1155.5-146.3176.1-174.5179.60.1107.7
345E23.2Very low24.8Very low180 Ų180157.3 Ų157.384%0.84181%0.807SS**  trans-79.7149.3-155.3-69.4161.3150.300113.5
346D21.9Very low24.9Very low150 Ų150154.7 Ų154.780%0.80280%0.801SS**  trans-62.5128.2178.8-54.7-60.8000111.8
347I23.8Very low24.7Very low159 Ų159153.8 Ų153.882%0.81580%0.804SS**  trans-106.5105.9159.5-63.6177.6000106.8V349I347-V349 PolarHBondContact O-N 3.06Å
348L21.7Very low24.7Very low132 Ų132155.5 Ų155.569%0.69181%0.813SS**  trans-57.7127168.7-83.990.3000110.4
349V24.8Very low24.9Very low137 Ų137155.3 Ų155.383%0.8381%0.811SS**  trans-129107151.4-179.40000107I347I347-V349 PolarHBondContact O-N 3.06Å
350N26Very low25.1Very low131 Ų131156.6 Ų156.670%0.70182%0.816SS**PPolyproline II helixtrans-71153.2175.6-81.5-38.2000111.2
351P27.1Very low25.2Very low111 Ų111150 Ų15072%0.72181%0.806SS**PPolyproline II helixtrans-87.3147.6-168.414.32.9000112.4
352P25.9Very low25.7Very low129 Ų129146.5 Ų146.584%0.83881%0.805SS**PPolyproline II helixtrans-82.7128.2169.831.6-28.4000111
353E23.5Very low26.2Very low177 Ų177144.3 Ų144.383%0.82780%0.797SS**PPolyproline II helixtrans-64.6158.2173.9-80.3178.415700113.5
354P29.3Very low27.1Very low125 Ų125138.3 Ų138.381%0.81278%0.781SS**PPolyproline II helixtrans-86.2137.2-163.534-32.4000112.6
355V25.2Very low27.9Very low142 Ų142129.8 Ų129.886%0.86176%0.76SS**PPolyproline II helixtrans-92118.9173.3-167.50000109.8
356S24.1Very low28.8Very low107 Ų107129.2 Ų129.275%0.74876%0.755SS**  trans-15.7131165.8-21.50000117.9
357A22.1Very low30.1Very low100 Ų100129.9 Ų129.983%0.82675%0.746SS**  trans-59.1141.2163.700000112.5
358D25.8Very low31.6Very low152 Ų152124.4 Ų124.481%0.81372%0.724SS**  trans-136.2125.8161.4-137.84.9000108.8
359P36.4Very low33.5Very low114 Ų114122.8 Ų122.874%0.7472%0.716SS**  trans-93.2117.3-166.333.8-30000111.5
360R28.1Very low35.6Very low232 Ų232119.8 Ų119.888%0.87570%0.698SS**  trans-135.180.2163.7-69.6-171.6-178.6-1761.3110.6
361G26.7Very low37.7Very low67 Ų67114.4 Ų114.469%0.69167%0.67SS**  trans-69.215116800000112.5
362N32.7Very low39.9Very low149 Ų149112.7 Ų112.780%0.79766%0.655SS**SBendtrans97.1-5.4164.5-64.6-2.8000120.7
363A36.1Very low42.1Very low82 Ų82109.5 Ų109.568%0.67864%0.639SS**SBendtrans-98.7-27167.900000113.9
364S41.1Very low44.6Very low81 Ų81103 Ų10357%0.56661%0.61SS**Hα-helixtrans-74.7-33.4-177.852.60000113.3R367 A368S364-R367 PolarHBondContact O-N 2.89Å; S364-R367 VanDerWaalsContact O-N 3.15Å; S364-A368 PolarHBondContact O-N 3.48Å
365S41.3Very low47Very low69 Ų6997.6 Ų97.648%0.48358%0.576SS.*Hα-helixtrans-63.3-46.9-176.81790000112.9R367 A368 D369S365-R367 VanDerWaalsContact C-N 3.26Å; S365-R367 PolarHBondContact O-N 3.33Å; S365-A368 PolarHBondContact O-N 3.31Å; S365-D369 PolarHBondContact O-N 3.48Å; S365-D369 VanDerWaalsContact O-N 3.13Å
366K41.3Very low49.5Very low168 Ų16894.4 Ų94.473%0.7356%0.557SS**Hα-helixtrans-63.5-31.5174-75.8-175177.7-179.40113V370K366-V370 WeakPolarHBondContact O-CG2 3.26Å; K366-V370 PolarHBondContact O-N 3.46Å
367R49.1Very low52.1Low164 Ų16494.9 Ų94.962%0.61954%0.543SS*.Hα-helixtrans-74.3-38.3-178.7-136.5175-171.3178.71.1111.3S364 S365 T371S364-R367 PolarHBondContact O-N 2.89Å; S364-R367 VanDerWaalsContact O-N 3.15Å; S365-R367 VanDerWaalsContact C-N 3.26Å; S365-R367 PolarHBondContact O-N 3.33Å; R367-T371 PolarHBondContact O-N 2.89Å; R367-T371 PolarHBondContact O-OG1 3.02Å
368A55.3Low54.9Low43 Ų4391 Ų9136%0.35551%0.508SS..Hα-helixtrans-67.5-37.317500000112.7S364 S365 V370 T371 N372S364-A368 PolarHBondContact O-N 3.48Å; S365-A368 PolarHBondContact O-N 3.31Å; A368-V370 VanDerWaalsContact C-N 3.33Å; A368-V370 PolarHBondContact O-N 3.15Å; A368-T371 WeakPolarHBondContact CA-OG1 3.13Å; A368-T371 PolarHBondContact O-N 3.14Å; A368-T371 PolarHBondContact O-OG1 3.08Å; A368-N372 WeakPolarHBondContact O-CB 3.4Å; A368-N372 PolarHBondContact O-N 3.19Å; A368-N372 PolarHBondContact O-ND2 3.11Å
369D62.6Low57.5Low98 Ų9885.7 Ų85.752%0.52448%0.477SS..Hα-helixtrans-63.2-39.2177.6-73.6-19.8000112.2S365 N372 A373S365-D369 PolarHBondContact O-N 3.48Å; S365-D369 VanDerWaalsContact O-N 3.13Å; D369-N372 PolarHBondContact O-N 3.18Å; D369-A373 WeakPolarHBondContact O-CB 3.42Å; D369-A373 PolarHBondContact O-N 3.35Å
370V67.1Low59.5Low74 Ų7487.4 Ų87.445%0.44848%0.475SS..Hα-helixtrans-68.8-41.9177.71780000111.3K366 A368 N372 A373 L374 L440K366-V370 WeakPolarHBondContact O-CG2 3.26Å; K366-V370 PolarHBondContact O-N 3.46Å; A368-V370 VanDerWaalsContact C-N 3.33Å; A368-V370 PolarHBondContact O-N 3.15Å; V370-N372 VanDerWaalsContact C-N 3.34Å; V370-A373 PolarHBondContact O-N 3.34Å; V370-L374 WeakPolarHBondContact O-CB 3.36Å; V370-L374 PolarHBondContact O-N 2.7Å; V370-L440 HydrophobicContact CG1-CD2 3.81Å
371T71.3Confident61.8Low18 Ų1883.9 Ų83.911%0.1146%0.462CS..Hα-helixtrans-64.2-39.6174.8110000111.9R367 A368 L374 A375 A431 Q435R367-T371 PolarHBondContact O-N 2.89Å; R367-T371 PolarHBondContact O-OG1 3.02Å; A368-T371 WeakPolarHBondContact CA-OG1 3.13Å; A368-T371 PolarHBondContact O-N 3.14Å; A368-T371 PolarHBondContact O-OG1 3.08Å; T371-L374 PolarHBondContact O-N 2.95Å; T371-A375 WeakPolarHBondContact O-CB 3.39Å; T371-A375 PolarHBondContact O-N 3.21Å; T371-A431 HydrophobicContact CG2-CB 4.32Å; T371-Q435 HydrophobicContact CG2-CB 4.28Å
372N72.3Confident64.4Low76 Ų7681.8 Ų81.841%0.40643%0.434SS..Hα-helixtrans-66.2-41.2176.4-72.8-21.7000112A368 D369 V370 L374 A375 T376A368-N372 WeakPolarHBondContact O-CB 3.4Å; A368-N372 PolarHBondContact O-N 3.19Å; A368-N372 PolarHBondContact O-ND2 3.11Å; D369-N372 PolarHBondContact O-N 3.18Å; V370-N372 VanDerWaalsContact C-N 3.34Å; N372-L374 VanDerWaalsContact C-N 3.34Å; N372-A375 PolarHBondContact O-N 3.26Å; N372-T376 WeakPolarHBondContact O-CB 3.48Å; N372-T376 PolarHBondContact O-N 3.1Å; N372-T376 PolarHBondContact O-OG1 2.93Å
373A73.6Confident66.5Low62 Ų6277.6 Ų77.651%0.51241%0.414SS..Hα-helixtrans-62-42.7174.200000111.4D369 V370 T376 Y377D369-A373 WeakPolarHBondContact O-CB 3.42Å; D369-A373 PolarHBondContact O-N 3.35Å; V370-A373 PolarHBondContact O-N 3.34Å; A373-T376 PolarHBondContact O-N 3.01Å; A373-Y377 WeakPolarHBondContact O-CB 3.24Å; A373-Y377 PolarHBondContact O-N 3.42Å
374L76.3Confident68.3Low39 Ų3978.7 Ų78.720%0.20441%0.414CS..Hα-helixtrans-65.9-43.3175.8-175.265.3000111.9V370 T371 N372 T376 Y377 I378 A431 F434 L440V370-L374 WeakPolarHBondContact O-CB 3.36Å; V370-L374 PolarHBondContact O-N 2.7Å; T371-L374 PolarHBondContact O-N 2.95Å; N372-L374 VanDerWaalsContact C-N 3.34Å; L374-T376 VanDerWaalsContact C-N 3.27Å; L374-T376 PolarHBondContact O-N 3.01Å; L374-Y377 WeakPolarHBondContact O-CB 3.46Å; L374-Y377 PolarHBondContact O-N 3.22Å; L374-I378 HydrophobicContact CD1-CD1 4.49Å; L374-I378 HydrophobicContact CG-CD1 4.03Å; L374-I378 VanDerWaalsContact O-CG1 3.28Å; L374-I378 WeakPolarHBondContact O-CG1 3.49Å; L374-I378 PolarHBondContact O-N 3.17Å; L374-A431 HydrophobicContact CB-CB 4.19Å; L374-A431 HydrophobicContact CD2-CB 3.98Å; L374-A431 HydrophobicContact CG-CB 4.07Å; L374-F434 HydrophobicContact CD2-CB 3.95Å; L374-F434 HydrophobicContact CD2-CD2 4.36Å; L374-F434 HydrophobicContact CD2-CG 4.5Å; L374-L440 HydrophobicContact CD2-CD2 4.13Å
375A79.6Confident69.8Low12 Ų1278.3 Ų78.310%0.09941%0.411CS..Hα-helixtrans-60.6-39.2176.400000111.4T371 N372 Y379 A431T371-A375 WeakPolarHBondContact O-CB 3.39Å; T371-A375 PolarHBondContact O-N 3.21Å; N372-A375 PolarHBondContact O-N 3.26Å; A375-Y379 VanDerWaalsContact O-CB 3.26Å; A375-Y379 WeakPolarHBondContact O-CB 3.43Å; A375-Y379 PolarHBondContact O-N 2.73Å; A375-A431 HydrophobicContact CB-CB 3.99Å
376T77.2Confident71.5Confident76 Ų7677 Ų7747%0.46640%0.402SS..Hα-helixtrans-66.3-45.1175.1-49.20000111.1N372 A373 L374 I378 Y379 E380N372-T376 WeakPolarHBondContact O-CB 3.48Å; N372-T376 PolarHBondContact O-N 3.1Å; N372-T376 PolarHBondContact O-OG1 2.93Å; A373-T376 PolarHBondContact O-N 3.01Å; L374-T376 VanDerWaalsContact C-N 3.27Å; L374-T376 PolarHBondContact O-N 3.01Å; T376-I378 PolarHBondContact O-N 3.38Å; T376-Y379 PolarHBondContact O-N 3.32Å; T376-E380 PolarHBondContact O-N 2.99Å
377Y78.8Confident73.1Confident117 Ų11772.1 Ų72.146%0.45938%0.383SS..Hα-helixtrans-59.2-44.1175.8178.3-91.8000112.5A373 L374 R381A373-Y377 WeakPolarHBondContact O-CB 3.24Å; A373-Y377 PolarHBondContact O-N 3.42Å; L374-Y377 WeakPolarHBondContact O-CB 3.46Å; L374-Y377 PolarHBondContact O-N 3.22Å; Y377-R381 PolarHBondContact OH-NH1 3.44Å
378I80.1Confident74.4Confident19 Ų1968.2 Ų68.210%0.09738%0.377CS..Hα-helixtrans-62.4-51.2174.8-65.8166.3000108.9L374 T376 E380 R381 F382 C427 M430 A431 F434L374-I378 HydrophobicContact CD1-CD1 4.49Å; L374-I378 HydrophobicContact CG-CD1 4.03Å; L374-I378 VanDerWaalsContact O-CG1 3.28Å; L374-I378 WeakPolarHBondContact O-CG1 3.49Å; L374-I378 PolarHBondContact O-N 3.17Å; T376-I378 PolarHBondContact O-N 3.38Å; I378-E380 VanDerWaalsContact C-N 3.3Å; I378-E380 PolarHBondContact O-N 3.15Å; I378-R381 CarbonylContact O-C 3.12Å; I378-R381 PolarHBondContact O-N 3.22Å; I378-F382 HydrophobicContact CG2-CB 4.4Å; I378-F382 HydrophobicContact CG2-CD2 3.86Å; I378-F382 HydrophobicContact CG2-CE2 4.46Å; I378-F382 HydrophobicContact CG2-CG 4.34Å; I378-F382 VanDerWaalsContact O-CB 3.27Å; I378-F382 WeakPolarHBondContact O-CB 3.4Å; I378-F382 PolarHBondContact O-N 3.41Å; I378-C427 HydrophobicContact CB-CB 4.41Å; I378-C427 HydrophobicContact CG2-CB 4.08Å; I378-M430 HydrophobicContact CD1-CB 4.05Å; I378-M430 HydrophobicContact CG2-SD 4.33Å; I378-A431 HydrophobicContact CD1-CB 4.24Å; I378-F434 HydrophobicContact CD1-CD2 4.05Å; I378-F434 HydrophobicContact CD1-CE2 4.03Å
379Y80.4Confident75.6Confident40 Ų4071 Ų7116%0.15739%0.386CS..Hα-helixtrans-55.9-39.8-176.1178.6-94.3000113.7A375 T376 R381 E420 K423 R424A375-Y379 VanDerWaalsContact O-CB 3.26Å; A375-Y379 WeakPolarHBondContact O-CB 3.43Å; A375-Y379 PolarHBondContact O-N 2.73Å; T376-Y379 PolarHBondContact O-N 3.32Å; Y379-R381 VanDerWaalsContact C-N 3.3Å; Y379-R381 PolarHBondContact O-N 3.46Å; Y379-E420 PolarHBondContact OH-OE2 3.24Å; Y379-K423 HydrophobicContact CD2-CD 4.1Å; Y379-K423 HydrophobicContact CD2-CG 4Å; Y379-K423 HydrophobicContact CE2-CB 4.45Å; Y379-K423 HydrophobicContact CE2-CD 3.77Å; Y379-K423 HydrophobicContact CE2-CG 3.94Å; Y379-K423 PolarHBondContact O-NZ 2.95Å; Y379-R424 HydrophobicContact CD2-CG 3.92Å; Y379-R424 HydrophobicContact CE2-CG 3.68Å
380E78.3Confident76.3Confident150 Ų15070.3 Ų70.370%0.70138%0.382SS*.Hα-helixtrans-65.6-30176.5-72.7-175.6171.500113.3T376 I378T376-E380 PolarHBondContact O-N 2.99Å; I378-E380 VanDerWaalsContact C-N 3.3Å; I378-E380 PolarHBondContact O-N 3.15Å
381R77.3Confident76.9Confident158 Ų15870.5 Ų70.560%0.59638%0.383SS*.Hα-helixtrans-103-9.2-178.4-64.7-169.6177.1-148.9-0.4114.4Y377 I378 Y379 T383 C386Y377-R381 PolarHBondContact OH-NH1 3.44Å; I378-R381 CarbonylContact O-C 3.12Å; I378-R381 PolarHBondContact O-N 3.22Å; Y379-R381 VanDerWaalsContact C-N 3.3Å; Y379-R381 PolarHBondContact O-N 3.46Å; R381-T383 PolarHBondContact O-N 3.42Å; R381-T383 PolarHBondContact O-OG1 3.25Å; R381-C386 WeakPolarHBondContact O-CB 3.23Å
382F81.1Confident77.3Confident22 Ų2274.6 Ų74.610%0.09640%0.404CS..  trans-75.367.3-178.9-145.7-115.7000111I378 I387 K423 L426 M430I378-F382 HydrophobicContact CG2-CB 4.4Å; I378-F382 HydrophobicContact CG2-CD2 3.86Å; I378-F382 HydrophobicContact CG2-CE2 4.46Å; I378-F382 HydrophobicContact CG2-CG 4.34Å; I378-F382 VanDerWaalsContact O-CB 3.27Å; I378-F382 WeakPolarHBondContact O-CB 3.4Å; I378-F382 PolarHBondContact O-N 3.41Å; F382-I387 HydrophobicContact CD1-CD1 3.74Å; F382-I387 HydrophobicContact CD1-CG1 3.92Å; F382-I387 HydrophobicContact CD2-CG1 4.32Å; F382-I387 HydrophobicContact CE1-CD1 3.64Å; F382-I387 HydrophobicContact CE1-CG1 3.7Å; F382-I387 HydrophobicContact CE2-CG1 4.11Å; F382-I387 HydrophobicContact CG-CD1 4.43Å; F382-I387 HydrophobicContact CG-CG1 4.23Å; F382-I387 HydrophobicContact CZ-CD1 4.26Å; F382-I387 HydrophobicContact CZ-CG1 3.81Å; F382-K423 HydrophobicContact CD1-CG 4.41Å; F382-K423 VanDerWaalsContact O-CE 3.28Å; F382-K423 WeakPolarHBondContact O-CE 3.27Å; F382-K423 PolarHBondContact O-NZ 3.25Å; F382-L426 HydrophobicContact CE1-CD2 4.22Å; F382-L426 HydrophobicContact CZ-CD2 4.06Å; F382-M430 HydrophobicContact CD2-SD 4.37Å; F382-M430 HydrophobicContact CE2-CE 3.92Å; F382-M430 HydrophobicContact CE2-SD 3.48Å; F382-M430 WeakPolarHBondContact CE2-SD 3.03Å; F382-M430 HydrophobicContact CZ-CE 4.17Å; F382-M430 HydrophobicContact CZ-SD 3.76Å
383T75.9Confident77.7Confident61 Ų6174.4 Ų74.437%0.37441%0.413SS..  trans-87.3156.7175.753.10000110.3R381 S385 C386 I387R381-T383 PolarHBondContact O-N 3.42Å; R381-T383 PolarHBondContact O-OG1 3.25Å; T383-S385 PolarHBondContact O-N 2.82Å; T383-S385 PolarHBondContact OG1-OG 3.3Å; T383-C386 WeakPolarHBondContact O-CB 3.49Å; T383-C386 PolarHBondContact O-N 3.4Å; T383-C386 VanDerWaalsContact O-N 3.08Å; T383-C386 VanDerWaalsContact OG1-CB 3.31Å; T383-C386 WeakPolarHBondContact OG1-CB 3.4Å; T383-C386 PolarHBondContact OG1-N 2.99Å; T383-I387 WeakPolarHBondContact O-CG1 3.44Å; T383-I387 PolarHBondContact O-N 3.34Å
384P73.7Confident77.9Confident105 Ų10573.1 Ų73.168%0.68240%0.402SS*.Hα-helixtrans-54.6-38.7178.2-26.134.4000113.5I387 V388P384-I387 PolarHBondContact O-N 3.48Å; P384-V388 WeakPolarHBondContact O-CG2 3.41Å; P384-V388 PolarHBondContact O-N 3.04Å
385S74.2Confident77.9Confident74 Ų7474.3 Ų74.352%0.51741%0.411SS..Hα-helixtrans-63.7-46.3175.857.80000111.8T383 I387 V388 D389T383-S385 PolarHBondContact O-N 2.82Å; T383-S385 PolarHBondContact OG1-OG 3.3Å; S385-I387 VanDerWaalsContact C-N 3.29Å; S385-I387 PolarHBondContact O-N 3.07Å; S385-V388 PolarHBondContact O-N 2.96Å; S385-D389 VanDerWaalsContact O-CG 3.25Å; S385-D389 PolarHBondContact O-N 2.98Å
386C76.8Confident77.9Confident42 Ų4278.1 Ų78.128%0.28444%0.442SS..Hα-helixtrans-59.7-40.4176.5-173.70000111.7R381 T383 D389 L390R381-C386 WeakPolarHBondContact O-CB 3.23Å; T383-C386 WeakPolarHBondContact O-CB 3.49Å; T383-C386 PolarHBondContact O-N 3.4Å; T383-C386 VanDerWaalsContact O-N 3.08Å; T383-C386 VanDerWaalsContact OG1-CB 3.31Å; T383-C386 WeakPolarHBondContact OG1-CB 3.4Å; T383-C386 PolarHBondContact OG1-N 2.99Å; C386-D389 PolarHBondContact O-N 3.12Å; C386-L390 WeakPolarHBondContact O-CB 3.24Å; C386-L390 PolarHBondContact O-N 2.99Å
387I74.9Confident77.8Confident65 Ų6580 Ų8033%0.33345%0.454SS..Hα-helixtrans-62.8-46.6176.3-64.5167.1000110.6F382 T383 P384 S385 L390 V391F382-I387 HydrophobicContact CD1-CD1 3.74Å; F382-I387 HydrophobicContact CD1-CG1 3.92Å; F382-I387 HydrophobicContact CD2-CG1 4.32Å; F382-I387 HydrophobicContact CE1-CD1 3.64Å; F382-I387 HydrophobicContact CE1-CG1 3.7Å; F382-I387 HydrophobicContact CE2-CG1 4.11Å; F382-I387 HydrophobicContact CG-CD1 4.43Å; F382-I387 HydrophobicContact CG-CG1 4.23Å; F382-I387 HydrophobicContact CZ-CD1 4.26Å; F382-I387 HydrophobicContact CZ-CG1 3.81Å; T383-I387 WeakPolarHBondContact O-CG1 3.44Å; T383-I387 PolarHBondContact O-N 3.34Å; P384-I387 PolarHBondContact O-N 3.48Å; S385-I387 VanDerWaalsContact C-N 3.29Å; S385-I387 PolarHBondContact O-N 3.07Å; I387-L390 PolarHBondContact O-N 2.8Å; I387-V391 HydrophobicContact CG2-CG2 4.47Å; I387-V391 VanDerWaalsContact O-CG2 3.29Å; I387-V391 WeakPolarHBondContact O-CG2 3.27Å; I387-V391 PolarHBondContact O-N 3.29Å
388V76.8Confident77.6Confident82 Ų8282 Ų8250%0.49746%0.46SS..Hα-helixtrans-60.6-46.9177.4171.90000110.6P384 S385 L390 V391 L392P384-V388 WeakPolarHBondContact O-CG2 3.41Å; P384-V388 PolarHBondContact O-N 3.04Å; S385-V388 PolarHBondContact O-N 2.96Å; V388-L390 VanDerWaalsContact C-N 3.32Å; V388-L390 PolarHBondContact O-N 3.36Å; V388-V391 PolarHBondContact O-N 2.92Å; V388-L392 HydrophobicContact CG1-CD1 3.88Å; V388-L392 HydrophobicContact CG1-CG 4.33Å; V388-L392 WeakPolarHBondContact O-CB 3.07Å; V388-L392 VanDerWaalsContact O-CG 3.3Å; V388-L392 WeakPolarHBondContact O-CG 3.32Å; V388-L392 PolarHBondContact O-N 3.2Å
389D79.3Confident77.3Confident101 Ų10185 Ų8554%0.5448%0.481SS..Hα-helixtrans-61.7-40178.3-66.1-25.7000111.9S385 C386 L392 A393S385-D389 VanDerWaalsContact O-CG 3.25Å; S385-D389 PolarHBondContact O-N 2.98Å; C386-D389 PolarHBondContact O-N 3.12Å; D389-L392 PolarHBondContact O-N 3.18Å; D389-A393 VanDerWaalsContact O-CB 3.3Å; D389-A393 WeakPolarHBondContact O-CB 3.31Å; D389-A393 PolarHBondContact O-N 2.88Å
390L77.5Confident77Confident84 Ų8491.4 Ų91.444%0.4452%0.518SS..Hα-helixtrans-64.4-43.8176.3-120.9143.6000111.9C386 I387 V388 A393 A394 M430C386-L390 WeakPolarHBondContact O-CB 3.24Å; C386-L390 PolarHBondContact O-N 2.99Å; I387-L390 PolarHBondContact O-N 2.8Å; V388-L390 VanDerWaalsContact C-N 3.32Å; V388-L390 PolarHBondContact O-N 3.36Å; L390-A393 PolarHBondContact O-N 3.01Å; L390-A394 VanDerWaalsContact O-CB 3.3Å; L390-A394 WeakPolarHBondContact O-CB 3.49Å; L390-A394 PolarHBondContact O-N 3.44Å; L390-M430 HydrophobicContact CD2-CE 4.44Å
391V79.6Confident76.3Confident77 Ų7792.2 Ų92.247%0.46752%0.522SS..Hα-helixtrans-64.6-46.21771720000109.8I387 V388 A393 A394 T395I387-V391 HydrophobicContact CG2-CG2 4.47Å; I387-V391 VanDerWaalsContact O-CG2 3.29Å; I387-V391 WeakPolarHBondContact O-CG2 3.27Å; I387-V391 PolarHBondContact O-N 3.29Å; V388-V391 PolarHBondContact O-N 2.92Å; V391-A393 PolarHBondContact O-N 3.1Å; V391-A394 PolarHBondContact O-N 2.66Å; V391-T395 VanDerWaalsContact O-CG2 3.26Å; V391-T395 WeakPolarHBondContact O-CG2 3.27Å; V391-T395 PolarHBondContact O-N 3.06Å
392L80.3Confident75.7Confident104 Ų10489.5 Ų89.555%0.54552%0.523SS..Hα-helixtrans-59.6-46.2176.6-72.8173.8000111.7V388 D389 A394 T395V388-L392 HydrophobicContact CG1-CD1 3.88Å; V388-L392 HydrophobicContact CG1-CG 4.33Å; V388-L392 WeakPolarHBondContact O-CB 3.07Å; V388-L392 VanDerWaalsContact O-CG 3.3Å; V388-L392 WeakPolarHBondContact O-CG 3.32Å; V388-L392 PolarHBondContact O-N 3.2Å; D389-L392 PolarHBondContact O-N 3.18Å; L392-A394 VanDerWaalsContact C-N 3.31Å; L392-A394 PolarHBondContact O-N 3.48Å; L392-T395 PolarHBondContact O-N 3.44Å; L392-T395 PolarHBondContact O-OG1 3.35Å
393A79.8Confident75Confident72 Ų7292.1 Ų92.160%0.59554%0.541SS*.Hα-helixtrans-62.6-37.8176.500000112.4D389 L390 V391 T395D389-A393 VanDerWaalsContact O-CB 3.3Å; D389-A393 WeakPolarHBondContact O-CB 3.31Å; D389-A393 PolarHBondContact O-N 2.88Å; L390-A393 PolarHBondContact O-N 3.01Å; V391-A393 PolarHBondContact O-N 3.1Å; A393-T395 VanDerWaalsContact C-N 3.32Å; A393-T395 PolarHBondContact O-N 3.04Å
394A77.7Confident74.2Confident35 Ų3594.9 Ų94.929%0.28956%0.56SS.*Hα-helixtrans-71.1-24.5177.700000113.2L390 V391 L392 A396 T397 W398L390-A394 VanDerWaalsContact O-CB 3.3Å; L390-A394 WeakPolarHBondContact O-CB 3.49Å; L390-A394 PolarHBondContact O-N 3.44Å; V391-A394 PolarHBondContact O-N 2.66Å; L392-A394 VanDerWaalsContact C-N 3.31Å; L392-A394 PolarHBondContact O-N 3.48Å; A394-A396 PolarHBondContact O-N 2.84Å; A394-A396 VanDerWaalsContact O-N 3.13Å; A394-T397 PolarHBondContact O-N 3.3Å; A394-T397 PolarHBondContact O-OG1 3.24Å; A394-W398 PolarHBondContact O-N 3.36Å; A394-W398 PolarHBondContact O-NE1 3Å
395T76.8Confident73.5Confident65 Ų6592.7 Ų92.740%0.39956%0.556SS.*Hα-helixtrans-58-29.3177.965.10000112.8V391 L392 A393 T397 W398V391-T395 VanDerWaalsContact O-CG2 3.26Å; V391-T395 WeakPolarHBondContact O-CG2 3.27Å; V391-T395 PolarHBondContact O-N 3.06Å; L392-T395 PolarHBondContact O-N 3.44Å; L392-T395 PolarHBondContact O-OG1 3.35Å; A393-T395 VanDerWaalsContact C-N 3.32Å; A393-T395 PolarHBondContact O-N 3.04Å; T395-T397 PolarHBondContact O-N 2.56Å; T395-W398 HydrophobicContact CG2-CD2 4.41Å; T395-W398 HydrophobicContact CG2-CE3 4.4Å; T395-W398 HydrophobicContact CG2-CH2 3.83Å; T395-W398 HydrophobicContact CG2-CZ2 3.83Å; T395-W398 HydrophobicContact CG2-CZ3 4.12Å; T395-W398 PolarHBondContact O-N 3.26Å
396A79.3Confident72.9Confident91 Ų9195.2 Ų95.275%0.75256%0.558SS**THydrogen-bonded Turntrans-69.2-19.9177.100000113.8A394A394-A396 PolarHBondContact O-N 2.84Å; A394-A396 VanDerWaalsContact O-N 3.13Å
397T74.9Confident71.7Confident115 Ų11599.8 Ų99.871%0.70658%0.577SS**THydrogen-bonded Turntrans-105.95.3-179.958.30000113.1A394 T395A394-T397 PolarHBondContact O-N 3.3Å; A394-T397 PolarHBondContact O-OG1 3.24Å; T395-T397 PolarHBondContact O-N 2.56Å
398W75.7Confident70.8Confident159 Ų159100 Ų10060%0.60260%0.595SS**  trans-65.6130.4-179.2-752.1000111.3A394 T395A394-W398 PolarHBondContact O-N 3.36Å; A394-W398 PolarHBondContact O-NE1 3Å; T395-W398 HydrophobicContact CG2-CD2 4.41Å; T395-W398 HydrophobicContact CG2-CE3 4.4Å; T395-W398 HydrophobicContact CG2-CH2 3.83Å; T395-W398 HydrophobicContact CG2-CZ2 3.83Å; T395-W398 HydrophobicContact CG2-CZ3 4.12Å; T395-W398 PolarHBondContact O-N 3.26Å
399P72.2Confident69.4Low82 Ų82101.1 Ų101.153%0.53260%0.604SS.*  trans-65.9138.7175.526.1-31.5000110.1Q401P399-Q401 PolarHBondContact O-N 2.96Å
400N75.9Confident67.7Low175 Ų175103 Ų10394%0.93661%0.605SS**SBendtrans-62.5-11.9179.9-68.4-24.9000113.9
401Q62.5Low66.5Low168 Ų168102.8 Ų102.879%0.78560%0.604SS**SBendtrans-132.1135.9175.3-66.3-177.1-300109.2P399 T403P399-Q401 PolarHBondContact O-N 2.96Å; Q401-T403 PolarHBondContact O-N 3.02Å
402V65.8Low65Low100 Ų100102.4 Ų102.461%0.60660%0.603SS**  trans-60.2121.8179.7178.10000109.3F406 M407V402-F406 HydrophobicContact CG1-CB 4.12Å; V402-F406 HydrophobicContact CG1-CD1 4.09Å; V402-M407 HydrophobicContact CG1-CG 3.82Å; V402-M407 HydrophobicContact CG1-SD 4.11Å
403T65.3Low63.5Low78 Ų78104.6 Ų104.648%0.47962%0.615SS.*  trans-67.5138.3176.3330000110.1Q401 G405 F406Q401-T403 PolarHBondContact O-N 3.02Å; T403-G405 PolarHBondContact O-N 3.25Å; T403-F406 WeakPolarHBondContact O-CB 3.48Å; T403-F406 PolarHBondContact O-N 2.91Å
404P59.2Low62Low119 Ų119106.5 Ų106.577%0.77362%0.616SS**Hα-helixtrans-58.6-25.4-176.117.7-29000113.7F406P404-F406 VanDerWaalsContact C-N 3.32Å; P404-F406 PolarHBondContact O-N 3.4Å
405G59.9Low60.4Low58 Ų58110.9 Ų110.960%0.59863%0.633SS**Hα-helixtrans-69.6-21.7174.300000115T403 P409T403-G405 PolarHBondContact O-N 3.25Å; G405-P409 WeakPolarHBondContact O-CD 3.16Å
406F59.9Low59.2Low128 Ų128113.7 Ų113.756%0.56165%0.645SS**Hα-helixtrans-75.8-31.1178.1-171.1-98.1000112.1V402 T403 P404V402-F406 HydrophobicContact CG1-CB 4.12Å; V402-F406 HydrophobicContact CG1-CD1 4.09Å; T403-F406 WeakPolarHBondContact O-CB 3.48Å; T403-F406 PolarHBondContact O-N 2.91Å; P404-F406 VanDerWaalsContact C-N 3.32Å; P404-F406 PolarHBondContact O-N 3.4Å
407M53.3Low57.8Low137 Ų137116.8 Ų116.868%0.67564%0.644SS**Hα-helixtrans-79.3-19.5-179.2-64.2-69.5-88.500113.2V402V402-M407 HydrophobicContact CG1-CG 3.82Å; V402-M407 HydrophobicContact CG1-SD 4.11Å
408G55.4Low56.8Low70 Ų70118.1 Ų118.172%0.72266%0.656SS**SBendtrans-69.1-43.8-177.100000115
409P48.2Very low56Low105 Ų105113.2 Ų113.268%0.68264%0.644SS**SBendtrans-106.23.9-178.736.3-31.6000114.7G405 D411G405-P409 WeakPolarHBondContact O-CD 3.16Å; P409-D411 PolarHBondContact O-N 3.1Å
410Y42.7Very low55.6Low142 Ų142114.3 Ų114.356%0.55764%0.642SS**  trans-77.389.1176.6-175.3-100.5000110.3
411D52.8Low55.2Low78 Ų78108.7 Ų108.742%0.41762%0.62SS.*  trans-106.8106.9172.4-1714000108.9P409 N413 N414P409-D411 PolarHBondContact O-N 3.1Å; D411-N413 PolarHBondContact O-N 3.46Å; D411-N414 HydrophobicContact CB-CB 4.24Å; D411-N414 PolarHBondContact O-N 3.39Å; D411-N414 PolarHBondContact OD2-ND2 3.02Å; D411-N414 VanDerWaalsContact OD2-ND2 3.07Å
412P48.4Very low55.4Low70 Ų70102.6 Ų102.646%0.45559%0.593SS.*G310 helixtrans-62.2-17.2-175.621.9-30.5000113.3N414 L415P412-N414 VanDerWaalsContact C-N 3.34Å; P412-L415 WeakPolarHBondContact O-CD1 3.24Å; P412-L415 WeakPolarHBondContact O-CG 3.24Å
413N47.6Very low55.6Low149 Ų149100.5 Ų100.580%0.79758%0.576SS**G310 helixtrans-79.1-18.2174.6-65.3-24.9000113.1D411D411-N413 PolarHBondContact O-N 3.46Å
414N48.7Very low55.9Low113 Ų113103.8 Ų103.860%0.60458%0.579SS**G310 helixtrans-101.727.3178.7-84.4-47.1000112.7D411 P412 L416D411-N414 HydrophobicContact CB-CB 4.24Å; D411-N414 PolarHBondContact O-N 3.39Å; D411-N414 PolarHBondContact OD2-ND2 3.02Å; D411-N414 VanDerWaalsContact OD2-ND2 3.07Å; P412-N414 VanDerWaalsContact C-N 3.34Å; N414-L416 VanDerWaalsContact C-N 3.34Å; N414-L416 PolarHBondContact O-N 3.27Å
415L44.1Very low56.5Low126 Ų126102.7 Ų102.766%0.6657%0.566SS**  trans-59.599.7169.5-74.2167.7000108.5P412 Q417P412-L415 WeakPolarHBondContact O-CD1 3.24Å; P412-L415 WeakPolarHBondContact O-CG 3.24Å; L415-Q417 PolarHBondContact O-N 3.35Å
416L51.6Low57.2Low124 Ų124104 Ų10465%0.64956%0.559SS**  trans-46.2108.4176.4-80.7135000108.4N414 C418 N422N414-L416 VanDerWaalsContact C-N 3.34Å; N414-L416 PolarHBondContact O-N 3.27Å; L416-C418 PolarHBondContact O-N 2.94Å; L416-N422 HydrophobicContact CD2-CB 4.01Å; L416-N422 WeakPolarHBondContact CD2-ND2 2.82Å; L416-N422 WeakPolarHBondContact CD2-OD1 3.31Å
417Q50.6Low58.1Low156 Ų15698 Ų9873%0.72953%0.532SS*.  trans-51.9136.9172.9-68.9-178.31.600108.3L415 T419 N422L415-Q417 PolarHBondContact O-N 3.35Å; Q417-T419 HydrophobicContact CB-CG2 4.24Å; Q417-T419 PolarHBondContact O-N 3.46Å; Q417-N422 PolarHBondContact O-ND2 2.81Å
418C53.8Low59.3Low143 Ų14395.6 Ų95.697%0.96652%0.52SS*.  trans-65.479.3176.9-77.60000110.6L416L416-C418 PolarHBondContact O-N 2.94Å
419T58.6Low60.1Low57 Ų57100.5 Ų100.535%0.3552%0.517SS..  trans-104.9150.1172.561.40000109.1Q417 A421 N422 K423Q417-T419 HydrophobicContact CB-CG2 4.24Å; Q417-T419 PolarHBondContact O-N 3.46Å; T419-A421 PolarHBondContact O-N 2.89Å; T419-N422 PolarHBondContact O-N 2.91Å; T419-N422 PolarHBondContact OG1-N 3.3Å; T419-N422 PolarHBondContact OG1-ND2 3.27Å; T419-N422 VanDerWaalsContact OG1-ND2 3.11Å; T419-K423 PolarHBondContact O-N 3.12Å
420E64.2Low61.4Low105 Ų10597.6 Ų97.649%0.49149%0.494SS..Hα-helixtrans-57-30.1177.1-79.2-66.9153.200112.8Y379 R424Y379-E420 PolarHBondContact OH-OE2 3.24Å; E420-R424 PolarHBondContact O-N 3.25Å
421A66.7Low63Low57 Ų5790.9 Ų90.947%0.47147%0.468SS..Hα-helixtrans-65.4-48.3173.700000111.7T419 K423 R424 I425T419-A421 PolarHBondContact O-N 2.89Å; A421-K423 VanDerWaalsContact C-N 3.3Å; A421-K423 PolarHBondContact O-N 3.08Å; A421-R424 WeakPolarHBondContact O-CB 3.38Å; A421-R424 PolarHBondContact O-N 2.85Å; A421-R424 VanDerWaalsContact O-N 3.11Å; A421-I425 WeakPolarHBondContact O-CG1 2.71Å; A421-I425 PolarHBondContact O-N 3.33Å
422N65.9Low64.2Low39 Ų3991.3 Ų91.321%0.20947%0.468CS..Hα-helixtrans-64.1-36.6178.4-68.7-15.3000111.8L416 Q417 T419 R424 I425 L426L416-N422 HydrophobicContact CD2-CB 4.01Å; L416-N422 WeakPolarHBondContact CD2-ND2 2.82Å; L416-N422 WeakPolarHBondContact CD2-OD1 3.31Å; Q417-N422 PolarHBondContact O-ND2 2.81Å; T419-N422 PolarHBondContact O-N 2.91Å; T419-N422 PolarHBondContact OG1-N 3.3Å; T419-N422 PolarHBondContact OG1-ND2 3.27Å; T419-N422 VanDerWaalsContact OG1-ND2 3.11Å; N422-R424 VanDerWaalsContact C-N 3.32Å; N422-R424 PolarHBondContact O-N 3.39Å; N422-I425 PolarHBondContact O-N 3.1Å; N422-L426 WeakPolarHBondContact O-CB 3.3Å; N422-L426 PolarHBondContact O-N 2.94Å
423K70.8Confident65.4Low57 Ų5792.1 Ų92.125%0.24847%0.468CS..Hα-helixtrans-58.1-43.6172.6-177.8178.2169.7176.60111.6Y379 F382 T419 A421 L426 C427Y379-K423 HydrophobicContact CD2-CD 4.1Å; Y379-K423 HydrophobicContact CD2-CG 4Å; Y379-K423 HydrophobicContact CE2-CB 4.45Å; Y379-K423 HydrophobicContact CE2-CD 3.77Å; Y379-K423 HydrophobicContact CE2-CG 3.94Å; Y379-K423 PolarHBondContact O-NZ 2.95Å; F382-K423 HydrophobicContact CD1-CG 4.41Å; F382-K423 VanDerWaalsContact O-CE 3.28Å; F382-K423 WeakPolarHBondContact O-CE 3.27Å; F382-K423 PolarHBondContact O-NZ 3.25Å; T419-K423 PolarHBondContact O-N 3.12Å; A421-K423 VanDerWaalsContact C-N 3.3Å; A421-K423 PolarHBondContact O-N 3.08Å; K423-L426 PolarHBondContact O-N 3.42Å; K423-C427 PolarHBondContact O-N 3.36Å; K423-C427 PolarHBondContact O-SG 2.97Å
424R70.8Confident66.6Low146 Ų14688.8 Ų88.855%0.55145%0.446SS*.Hα-helixtrans-64.1-46.1176.5-72.8-178.1-173.2146.36.6112.1Y379 E420 A421 N422 L426 C427 Q428Y379-R424 HydrophobicContact CD2-CG 3.92Å; Y379-R424 HydrophobicContact CE2-CG 3.68Å; E420-R424 PolarHBondContact O-N 3.25Å; A421-R424 WeakPolarHBondContact O-CB 3.38Å; A421-R424 PolarHBondContact O-N 2.85Å; A421-R424 VanDerWaalsContact O-N 3.11Å; N422-R424 VanDerWaalsContact C-N 3.32Å; N422-R424 PolarHBondContact O-N 3.39Å; R424-L426 VanDerWaalsContact C-N 3.26Å; R424-L426 PolarHBondContact O-N 3.31Å; R424-C427 PolarHBondContact O-N 3.46Å; R424-Q428 WeakPolarHBondContact O-CB 3.28Å; R424-Q428 PolarHBondContact O-N 3.39Å
425I72.5Confident67.7Low96 Ų9685.7 Ų85.749%0.49243%0.428SS..Hα-helixtrans-57.1-43.5177.2-64.3167.6000110.4A421 N422 Q428 R429A421-I425 WeakPolarHBondContact O-CG1 2.71Å; A421-I425 PolarHBondContact O-N 3.33Å; N422-I425 PolarHBondContact O-N 3.1Å; I425-Q428 PolarHBondContact O-N 3.26Å; I425-R429 WeakPolarHBondContact O-CB 3.4Å; I425-R429 PolarHBondContact O-N 2.95Å
426L74Confident69Low86 Ų8686.4 Ų86.445%0.4543%0.428SS..Hα-helixtrans-67.4-42.2-179.8-144.2154.2000111.9F382 N422 K423 R424 Q428 R429 M430F382-L426 HydrophobicContact CE1-CD2 4.22Å; F382-L426 HydrophobicContact CZ-CD2 4.06Å; N422-L426 WeakPolarHBondContact O-CB 3.3Å; N422-L426 PolarHBondContact O-N 2.94Å; K423-L426 PolarHBondContact O-N 3.42Å; R424-L426 VanDerWaalsContact C-N 3.26Å; R424-L426 PolarHBondContact O-N 3.31Å; L426-Q428 VanDerWaalsContact C-N 3.32Å; L426-Q428 PolarHBondContact O-N 3.02Å; L426-R429 PolarHBondContact O-N 2.94Å; L426-M430 HydrophobicContact CD2-CG 4.33Å; L426-M430 HydrophobicContact CD2-SD 4.28Å; L426-M430 WeakPolarHBondContact O-CG 3.49Å; L426-M430 PolarHBondContact O-N 3.2Å
427C79.7Confident70Confident1 Ų185.9 Ų85.91%0.00743%0.426CS..Hα-helixtrans-63.2-39.2174.9-64.70000111.9I378 K423 R424 M430 A431I378-C427 HydrophobicContact CB-CB 4.41Å; I378-C427 HydrophobicContact CG2-CB 4.08Å; K423-C427 PolarHBondContact O-N 3.36Å; K423-C427 PolarHBondContact O-SG 2.97Å; R424-C427 PolarHBondContact O-N 3.46Å; C427-M430 PolarHBondContact O-N 2.93Å; C427-A431 PolarHBondContact O-N 3.42Å
428Q77.3Confident70.6Confident88 Ų8885 Ų8541%0.41143%0.426SS..Hα-helixtrans-66.8-43.5177.5-162.7158.16.600111R424 I425 L426 M430 A431 E432R424-Q428 WeakPolarHBondContact O-CB 3.28Å; R424-Q428 PolarHBondContact O-N 3.39Å; I425-Q428 PolarHBondContact O-N 3.26Å; L426-Q428 VanDerWaalsContact C-N 3.32Å; L426-Q428 PolarHBondContact O-N 3.02Å; Q428-M430 PolarHBondContact O-N 3.14Å; Q428-A431 WeakPolarHBondContact O-CB 3.47Å; Q428-A431 PolarHBondContact O-N 3.37Å; Q428-A431 VanDerWaalsContact O-N 3.17Å; Q428-E432 WeakPolarHBondContact O-CG 3.42Å; Q428-E432 PolarHBondContact O-N 3.46Å
429R73.4Confident70.8Confident173 Ų17384 Ų8465%0.65341%0.409SS*.Hα-helixtrans-65.7-35.5175.5-159.1159-175.6168.8-0.5112.9I425 L426 E432 L433I425-R429 WeakPolarHBondContact O-CB 3.4Å; I425-R429 PolarHBondContact O-N 2.95Å; L426-R429 PolarHBondContact O-N 2.94Å; R429-E432 PolarHBondContact O-N 3.2Å; R429-L433 WeakPolarHBondContact O-CG 3.43Å; R429-L433 PolarHBondContact O-N 3.23Å
430M74.5Confident70.4Confident43 Ų4383.9 Ų83.921%0.21241%0.406CS..Hα-helixtrans-63.3-45.2170.6-78.9-175.1133.600111.7I378 F382 L390 L426 C427 Q428 E432 L433 F434I378-M430 HydrophobicContact CD1-CB 4.05Å; I378-M430 HydrophobicContact CG2-SD 4.33Å; F382-M430 HydrophobicContact CD2-SD 4.37Å; F382-M430 HydrophobicContact CE2-CE 3.92Å; F382-M430 HydrophobicContact CE2-SD 3.48Å; F382-M430 WeakPolarHBondContact CE2-SD 3.03Å; F382-M430 HydrophobicContact CZ-CE 4.17Å; F382-M430 HydrophobicContact CZ-SD 3.76Å; L390-M430 HydrophobicContact CD2-CE 4.44Å; L426-M430 HydrophobicContact CD2-CG 4.33Å; L426-M430 HydrophobicContact CD2-SD 4.28Å; L426-M430 WeakPolarHBondContact O-CG 3.49Å; L426-M430 PolarHBondContact O-N 3.2Å; C427-M430 PolarHBondContact O-N 2.93Å; Q428-M430 PolarHBondContact O-N 3.14Å; M430-E432 VanDerWaalsContact C-N 3.29Å; M430-E432 PolarHBondContact O-N 3.42Å; M430-L433 PolarHBondContact O-N 3.04Å; M430-F434 HydrophobicContact CB-CE2 4.36Å; M430-F434 WeakPolarHBondContact O-CD2 3.02Å; M430-F434 PolarHBondContact O-N 2.61Å
431A78Confident69.4Low1 Ų184.2 Ų84.21%0.00842%0.417CS..Hα-helixtrans-60.2-40.217700000111.9T371 L374 A375 I378 C427 Q428 F434 Q435T371-A431 HydrophobicContact CG2-CB 4.32Å; L374-A431 HydrophobicContact CB-CB 4.19Å; L374-A431 HydrophobicContact CD2-CB 3.98Å; L374-A431 HydrophobicContact CG-CB 4.07Å; A375-A431 HydrophobicContact CB-CB 3.99Å; I378-A431 HydrophobicContact CD1-CB 4.24Å; C427-A431 PolarHBondContact O-N 3.42Å; Q428-A431 WeakPolarHBondContact O-CB 3.47Å; Q428-A431 PolarHBondContact O-N 3.37Å; Q428-A431 VanDerWaalsContact O-N 3.17Å; A431-F434 PolarHBondContact O-N 3.27Å; A431-Q435 PolarHBondContact O-N 3.38Å
432E76Confident68.1Low88 Ų8889.7 Ų89.741%0.41143%0.433SS..Hα-helixtrans-63.9-41.3173.5-71.1169.3-175.500112.5Q428 R429 M430 Q435 Q436Q428-E432 WeakPolarHBondContact O-CG 3.42Å; Q428-E432 PolarHBondContact O-N 3.46Å; R429-E432 PolarHBondContact O-N 3.2Å; M430-E432 VanDerWaalsContact C-N 3.29Å; M430-E432 PolarHBondContact O-N 3.42Å; E432-Q435 WeakPolarHBondContact O-CB 3.46Å; E432-Q435 PolarHBondContact O-N 3.37Å; E432-Q436 WeakPolarHBondContact O-CG 3.46Å; E432-Q436 PolarHBondContact O-N 2.6Å
433L73.6Confident66.3Low87 Ų8796.6 Ų96.646%0.45547%0.466SS..Hα-helixtrans-66.5-40176.1-74.3170.3000112.3R429 M430 Q435 Q436 N437R429-L433 WeakPolarHBondContact O-CG 3.43Å; R429-L433 PolarHBondContact O-N 3.23Å; M430-L433 PolarHBondContact O-N 3.04Å; L433-Q435 PolarHBondContact O-N 2.92Å; L433-Q436 PolarHBondContact O-N 2.79Å; L433-N437 WeakPolarHBondContact O-CB 3.39Å; L433-N437 PolarHBondContact O-N 3.32Å
434F74.5Confident64.3Low78 Ų78100.3 Ų100.334%0.34249%0.489SS..Hα-helixtrans-61.7-36.6172.8-76.6-61.4000111.8L374 I378 M430 A431 N438 M439L374-F434 HydrophobicContact CD2-CB 3.95Å; L374-F434 HydrophobicContact CD2-CD2 4.36Å; L374-F434 HydrophobicContact CD2-CG 4.5Å; I378-F434 HydrophobicContact CD1-CD2 4.05Å; I378-F434 HydrophobicContact CD1-CE2 4.03Å; M430-F434 HydrophobicContact CB-CE2 4.36Å; M430-F434 WeakPolarHBondContact O-CD2 3.02Å; M430-F434 PolarHBondContact O-N 2.61Å; A431-F434 PolarHBondContact O-N 3.27Å; F434-N438 PolarHBondContact O-N 3.47Å; F434-M439 HydrophobicContact CD1-CB 4.35Å; F434-M439 HydrophobicContact CD1-CE 3.59Å; F434-M439 HydrophobicContact CE1-CE 3.55Å; F434-M439 PolarHBondContact O-N 3.38Å
435Q70.9Confident62.2Low49 Ų49102 Ų10223%0.22950%0.503CS..Hα-helixtrans-66.2-45173.1-178.9-176.66.100111.8T371 A431 E432 L433 N437 N438 L440T371-Q435 HydrophobicContact CG2-CB 4.28Å; A431-Q435 PolarHBondContact O-N 3.38Å; E432-Q435 WeakPolarHBondContact O-CB 3.46Å; E432-Q435 PolarHBondContact O-N 3.37Å; L433-Q435 PolarHBondContact O-N 2.92Å; Q435-N437 VanDerWaalsContact C-N 3.27Å; Q435-N437 PolarHBondContact O-N 3.48Å; Q435-N438 PolarHBondContact O-N 3.01Å; Q435-N438 VanDerWaalsContact O-N 3.14Å; Q435-L440 HydrophobicContact CB-CD1 4.15Å; Q435-L440 HydrophobicContact CG-CD1 4Å
436Q71.5Confident60.1Low141 Ų141107 Ų10766%0.65952%0.524SS*.Hα-helixtrans-61.7-36.1177.8-74.1178.35.300112.2E432 L433 N438E432-Q436 WeakPolarHBondContact O-CG 3.46Å; E432-Q436 PolarHBondContact O-N 2.6Å; L433-Q436 PolarHBondContact O-N 2.79Å; Q436-N438 VanDerWaalsContact C-N 3.25Å; Q436-N438 PolarHBondContact O-N 2.73Å
437N71.9Confident57.8Low113 Ų113109.2 Ų109.260%0.60454%0.541SS*.THydrogen-bonded Turntrans-8510.5178.3-69.2-20.3000113.8L433 Q435 M439L433-N437 WeakPolarHBondContact O-CB 3.39Å; L433-N437 PolarHBondContact O-N 3.32Å; Q435-N437 VanDerWaalsContact C-N 3.27Å; Q435-N437 PolarHBondContact O-N 3.48Å; N437-M439 HydrophobicContact CB-CG 4.17Å; N437-M439 WeakPolarHBondContact O-CG 3.23Å; N437-M439 PolarHBondContact O-N 3.43Å; N437-M439 VanDerWaalsContact O-N 3.12Å
438N64.4Low55.2Low137 Ų137114.5 Ų114.573%0.73358%0.578SS**THydrogen-bonded Turntrans52.730.2-179.9-74.2-31.2000114.6F434 Q435 Q436 L440F434-N438 PolarHBondContact O-N 3.47Å; Q435-N438 PolarHBondContact O-N 3.01Å; Q435-N438 VanDerWaalsContact O-N 3.14Å; Q436-N438 VanDerWaalsContact C-N 3.25Å; Q436-N438 PolarHBondContact O-N 2.73Å; N438-L440 VanDerWaalsContact C-N 3.26Å; N438-L440 PolarHBondContact O-N 2.93Å
439M56.6Low52.6Low123 Ų123115.1 Ų115.161%0.60659%0.592SS**  trans-91.120.7-179.8-60-138.9-53.700113.4F434 N437F434-M439 HydrophobicContact CD1-CB 4.35Å; F434-M439 HydrophobicContact CD1-CE 3.59Å; F434-M439 HydrophobicContact CE1-CE 3.55Å; F434-M439 PolarHBondContact O-N 3.38Å; N437-M439 HydrophobicContact CB-CG 4.17Å; N437-M439 WeakPolarHBondContact O-CG 3.23Å; N437-M439 PolarHBondContact O-N 3.43Å; N437-M439 VanDerWaalsContact O-N 3.12Å
440L52.1Low50.2Low54 Ų54112 Ų11228%0.28360%0.597SS.*SBendtrans-75.6128.7175.7-75.4161.3000109.2V370 L374 Q435 N438 Q442V370-L440 HydrophobicContact CG1-CD2 3.81Å; L374-L440 HydrophobicContact CD2-CD2 4.13Å; Q435-L440 HydrophobicContact CB-CD1 4.15Å; Q435-L440 HydrophobicContact CG-CD1 4Å; N438-L440 VanDerWaalsContact C-N 3.26Å; N438-L440 PolarHBondContact O-N 2.93Å; L440-Q442 PolarHBondContact O-N 3.48Å
441P42.8Very low47.9Very low111 Ų111116.2 Ų116.272%0.72162%0.624SS**  trans-58.8115.1177.1-19.229.6000110M443P441-M443 PolarHBondContact O-N 3.18Å
442Q38.1Very low45.3Very low172 Ų172121 Ų12180%0.80466%0.658SS**  trans-68.5101.4167.3-69.6-177.9-10.300107L440 D444L440-Q442 PolarHBondContact O-N 3.48Å; Q442-D444 PolarHBondContact O-N 3.42Å
443M28Very low42.9Very low184 Ų184122.5 Ų122.591%0.90668%0.678SS**  trans-7475.1172.4-73.6-164.9170.100109.3P441P441-M443 PolarHBondContact O-N 3.18Å
444D28.7Very low40.7Very low135 Ų135123.7 Ų123.772%0.72269%0.691SS**  trans-112.7130.1170.9-78.6-35.4000111.9Q442Q442-D444 PolarHBondContact O-N 3.42Å
445Q28.2Very low38.4Very low183 Ų183127.5 Ų127.586%0.85572%0.715SS**  trans-13.3119.3171.5-69.7164-2.800117.2V447Q445-V447 PolarHBondContact O-N 2.87Å; Q445-V447 VanDerWaalsContact O-N 3.12Å
446E28.2Very low36.3Very low199 Ų199132 Ų13293%0.9374%0.74SS**  trans-55.4108172.1-65.7175.8163.800111.8S448E446-S448 PolarHBondContact O-N 2.64Å
447V25.1Very low34.2Very low133 Ų133131.6 Ų131.681%0.80675%0.748SS**  trans-80.1112.5162.7176.40000108Q445 S449Q445-V447 PolarHBondContact O-N 2.87Å; Q445-V447 VanDerWaalsContact O-N 3.12Å; V447-S449 PolarHBondContact O-N 3.48Å
448S26.3Very low31.9Very low112 Ų112135.3 Ų135.378%0.78376%0.758SS**  trans-60.5121.4168.942.80000111.8E446E446-S448 PolarHBondContact O-N 2.64Å
449S22.3Very low30Very low102 Ų102133.8 Ų133.871%0.71376%0.756SS**  trans-166.2125.5144.145.80000112.7V447V447-S449 PolarHBondContact O-N 3.48Å
450S22.6Very low28.5Very low107 Ų107133.5 Ų133.575%0.74877%0.766SS**  trans57.7118.5150.860.70000119.5
451V25.8Very low27.3Very low131 Ų131138.5 Ų138.579%0.79479%0.791SS**  -174.4118.299157.40000108.9
452S23.6Very low26.5Very low103 Ų103141 Ų14172%0.7280%0.798SS**  trans5.5121.3157.458.70000121.4
453S26.3Very low25.9Very low118 Ų118141.4 Ų141.483%0.82580%0.797SS**  -170.2100.1118.456.40000109.7
454P26.1Very low26Very low112 Ų112138.7 Ų138.773%0.72779%0.793SS**  trans-91.3128.2172.533.5-24.6000109.3
455D27.6Very low26.2Very low158 Ų158137.4 Ų137.485%0.84579%0.79SS**  trans-166.890.3139.1-88.6-20000108.4V457D455-V457 PolarHBondContact O-N 3.23Å
456D26.6Very low26.2Very low143 Ų143131.5 Ų131.577%0.76578%0.778SS**  trans31.182.4145-71.3-32.4000120.2
457V26.6Very low26.6Very low134 Ų134129.1 Ų129.181%0.81278%0.777SS**  trans-141.498.2130.7-175.80000108D455 P459D455-V457 PolarHBondContact O-N 3.23Å; V457-P459 WeakPolarHBondContact O-CD 3.32Å; V457-P459 VanDerWaalsContact O-N 3.14Å
458K23.1Very low27Very low190 Ų190123.6 Ų123.683%0.82675%0.747SS**  trans-51.6109178.3-69.4169.6178.6169.80111.8
459P25.4Very low27.6Very low105 Ų105128.4 Ų128.468%0.68275%0.748SS**  trans-94.6116.8158.521.3-0.3000106.9V457 I461V457-P459 WeakPolarHBondContact O-CD 3.32Å; V457-P459 VanDerWaalsContact O-N 3.14Å; P459-I461 PolarHBondContact O-N 2.93Å
460S24.4Very low28.3Very low118 Ų118134.1 Ų134.183%0.82575%0.754SS**  trans-56.399.4172.9-59.80000109.8L462S460-L462 PolarHBondContact O-N 3.14Å; S460-L462 VanDerWaalsContact O-N 3.07Å
461I27Very low29Very low158 Ų158135.8 Ų135.881%0.8175%0.75SS**  trans-63.5109.2174.1-68.2169.7000107.5P459 K463P459-I461 PolarHBondContact O-N 2.93Å; I461-K463 PolarHBondContact O-N 2.82Å
462L25.6Very low29.7Very low164 Ų164131.6 Ų131.686%0.85973%0.729SS**  trans-62.4110.9172.5-71.2160.9000108.9S460S460-L462 PolarHBondContact O-N 3.14Å; S460-L462 VanDerWaalsContact O-N 3.07Å
463K26.8Very low30.5Very low181 Ų181132.7 Ų132.779%0.78773%0.726SS**  trans-58.6148165.6-78.8-179.2176.6179.10110.3I461 V465I461-K463 PolarHBondContact O-N 2.82Å; K463-V465 PolarHBondContact O-N 3.45Å
464P30.9Very low31.4Very low126 Ų126132.2 Ų132.282%0.81871%0.714SS**  trans-73.9112.6-165.430.1-33.1000110.3G466P464-G466 PolarHBondContact O-N 3.26Å
465V31.5Very low32.2Very low109 Ų109130.3 Ų130.366%0.66170%0.7SS**  trans-80.876.1175.5-177.60000108.9K463 G468K463-V465 PolarHBondContact O-N 3.45Å; V465-G468 VanDerWaalsContact CG1-CA 3.49Å
466G29Very low33.2Very low58 Ų58127.5 Ų127.560%0.59868%0.684SS**SBendtrans-69.5139.4151.700000108.9P464 G468P464-G466 PolarHBondContact O-N 3.26Å; G466-G468 PolarHBondContact O-N 2.98Å
467V35.2Very low34.1Very low149 Ų149127.7 Ų127.790%0.90368%0.678SS**SBendtrans71.9-18.8174.6-155.90000116.9R469V467-R469 PolarHBondContact O-N 2.89Å
468G34.6Very low35.2Very low18 Ų18125.9 Ų125.919%0.18666%0.664CS.*THydrogen-bonded Turntrans-78.1-10.2175.900000116.3V465 G466 R470 Q471 A472V465-G468 VanDerWaalsContact CG1-CA 3.49Å; G466-G468 PolarHBondContact O-N 2.98Å; G468-R470 VanDerWaalsContact C-N 3.33Å; G468-R470 PolarHBondContact O-N 3.28Å; G468-Q471 CarbonylContact O-C 3.58Å; G468-Q471 PolarHBondContact O-N 2.93Å; G468-Q471 VanDerWaalsContact O-N 3.09Å; G468-A472 WeakPolarHBondContact O-CB 3.25Å; G468-A472 PolarHBondContact O-N 2.94Å
469R37.8Very low36.5Very low212 Ų212124 Ų12480%0.866%0.656SS**Hα-helixtrans-68.7-26.4-172.5-139.3175.6-170.21742.6114.1V467 L473V467-R469 PolarHBondContact O-N 2.89Å; R469-L473 PolarHBondContact O-N 3.36Å
470R37Very low37.7Very low222 Ų222123 Ų12384%0.83865%0.648SS**Hα-helixtrans-73.8-35.4171-111.2-178.9178.7172.8-0.4112.1G468 L474G468-R470 VanDerWaalsContact C-N 3.33Å; G468-R470 PolarHBondContact O-N 3.28Å; R470-L474 PolarHBondContact O-N 2.97Å
471Q37.9Very low39Very low142 Ų142125.4 Ų125.466%0.66464%0.643SS**Hα-helixtrans-74-38.4173.7-78.4178.9-13.800111.8G468 L473 L474 T475G468-Q471 CarbonylContact O-C 3.58Å; G468-Q471 PolarHBondContact O-N 2.93Å; G468-Q471 VanDerWaalsContact O-N 3.09Å; Q471-L473 VanDerWaalsContact C-N 3.34Å; Q471-L473 PolarHBondContact O-N 3.22Å; Q471-L474 CarbonylContact O-C 3.6Å; Q471-L474 WeakPolarHBondContact O-CA 3.47Å; Q471-L474 WeakPolarHBondContact O-CB 3.28Å; Q471-L474 PolarHBondContact O-N 3.44Å; Q471-T475 PolarHBondContact O-N 3.48Å; Q471-T475 PolarHBondContact O-OG1 3.39Å
472A41.8Very low40.1Very low44 Ų44126 Ų12636%0.36464%0.643SS.*Hα-helixtrans-64.7-34.4176.400000112.9G468 L474 T475 I476G468-A472 WeakPolarHBondContact O-CB 3.25Å; G468-A472 PolarHBondContact O-N 2.94Å; A472-L474 VanDerWaalsContact C-N 3.32Å; A472-T475 PolarHBondContact O-N 3.18Å; A472-I476 WeakPolarHBondContact O-CB 3.43Å; A472-I476 WeakPolarHBondContact O-CD1 3.3Å; A472-I476 WeakPolarHBondContact O-CG1 3.48Å; A472-I476 PolarHBondContact O-N 2.92Å
473L38.9Very low41.3Very low125 Ų125121.2 Ų121.265%0.65462%0.623SS**Hα-helixtrans-66.3-34.1170.6-106.3150.1000112.2R469 Q471 K477R469-L473 PolarHBondContact O-N 3.36Å; Q471-L473 VanDerWaalsContact C-N 3.34Å; Q471-L473 PolarHBondContact O-N 3.22Å; L473-K477 PolarHBondContact O-N 3.47Å; L473-K477 VanDerWaalsContact O-N 3.16Å
474L45.7Very low42.6Very low108 Ų108117.5 Ų117.557%0.56563%0.626SS**Hα-helixtrans-71.3-39.6171-75.6158.6000111.7R470 Q471 A472 I476 K477 D478R470-L474 PolarHBondContact O-N 2.97Å; Q471-L474 CarbonylContact O-C 3.6Å; Q471-L474 WeakPolarHBondContact O-CA 3.47Å; Q471-L474 WeakPolarHBondContact O-CB 3.28Å; Q471-L474 PolarHBondContact O-N 3.44Å; A472-L474 VanDerWaalsContact C-N 3.32Å; L474-I476 VanDerWaalsContact C-N 3.34Å; L474-I476 PolarHBondContact O-N 3.12Å; L474-K477 WeakPolarHBondContact O-CA 3.42Å; L474-K477 VanDerWaalsContact O-CB 3.31Å; L474-K477 WeakPolarHBondContact O-CB 3.47Å; L474-K477 PolarHBondContact O-N 3.44Å; L474-K477 VanDerWaalsContact O-N 3.08Å; L474-D478 PolarHBondContact O-N 3.48Å
475T43.9Very low44Very low73 Ų73114.4 Ų114.445%0.44861%0.605SS.*Hα-helixtrans-71.3-28.9177.4-19.90000112.3Q471 A472 K477 D478 K479Q471-T475 PolarHBondContact O-N 3.48Å; Q471-T475 PolarHBondContact O-OG1 3.39Å; A472-T475 PolarHBondContact O-N 3.18Å; T475-K477 VanDerWaalsContact C-N 3.34Å; T475-D478 PolarHBondContact O-N 3.15Å; T475-K479 WeakPolarHBondContact O-CB 3.39Å; T475-K479 WeakPolarHBondContact O-CG 3.46Å; T475-K479 PolarHBondContact O-N 3.32Å
476I46.9Very low46Very low99 Ų99111.6 Ų111.651%0.50859%0.59SS.*Hα-helixtrans-67.1-39.9168.7-69.3163.2000109.4A472 L474 D478 K479 V480A472-I476 WeakPolarHBondContact O-CB 3.43Å; A472-I476 WeakPolarHBondContact O-CD1 3.3Å; A472-I476 WeakPolarHBondContact O-CG1 3.48Å; A472-I476 PolarHBondContact O-N 2.92Å; L474-I476 VanDerWaalsContact C-N 3.34Å; L474-I476 PolarHBondContact O-N 3.12Å; I476-D478 PolarHBondContact O-N 2.92Å; I476-K479 PolarHBondContact O-N 2.91Å; I476-V480 HydrophobicContact CG2-CG2 3.82Å; I476-V480 VanDerWaalsContact O-CB 3.24Å; I476-V480 WeakPolarHBondContact O-CB 3.38Å; I476-V480 WeakPolarHBondContact O-CG2 3.44Å; I476-V480 PolarHBondContact O-N 2.79Å
477K45.3Very low47.9Very low146 Ų146115.6 Ų115.664%0.63559%0.591SS**Hα-helixtrans-61.3-36174.9-155.2177.4-175.9-179.10112L473 L474 T475L473-K477 PolarHBondContact O-N 3.47Å; L473-K477 VanDerWaalsContact O-N 3.16Å; L474-K477 WeakPolarHBondContact O-CA 3.42Å; L474-K477 VanDerWaalsContact O-CB 3.31Å; L474-K477 WeakPolarHBondContact O-CB 3.47Å; L474-K477 PolarHBondContact O-N 3.44Å; L474-K477 VanDerWaalsContact O-N 3.08Å; T475-K477 VanDerWaalsContact C-N 3.34Å
478D50.5Low49.6Very low97 Ų97116 Ų11652%0.51958%0.583SS.*Hα-helixtrans-77.5-37.6176.6-67.4-26.8000112.8L474 T475 I476 K481L474-D478 PolarHBondContact O-N 3.48Å; T475-D478 PolarHBondContact O-N 3.15Å; I476-D478 PolarHBondContact O-N 2.92Å; D478-K481 PolarHBondContact O-N 2.87Å
479K49.8Very low51.6Low149 Ų149120.1 Ų120.165%0.64860%0.597SS**Hα-helixtrans-72.2-30.1174.6-76.4-172.5174.7-1720113.7T475 I476 K481 E482T475-K479 WeakPolarHBondContact O-CB 3.39Å; T475-K479 WeakPolarHBondContact O-CG 3.46Å; T475-K479 PolarHBondContact O-N 3.32Å; I476-K479 PolarHBondContact O-N 2.91Å; K479-K481 VanDerWaalsContact C-N 3.25Å; K479-K481 PolarHBondContact O-N 3.43Å; K479-E482 PolarHBondContact O-N 2.88Å
480V51Low53.4Low86 Ų86114.6 Ų114.652%0.52158%0.582SS.*Hα-helixtrans-70.9-23.4176.2170.70000111.3I476 E482 S483I476-V480 HydrophobicContact CG2-CG2 3.82Å; I476-V480 VanDerWaalsContact O-CB 3.24Å; I476-V480 WeakPolarHBondContact O-CB 3.38Å; I476-V480 WeakPolarHBondContact O-CG2 3.44Å; I476-V480 PolarHBondContact O-N 2.79Å; V480-E482 PolarHBondContact O-N 3.45Å; V480-S483 PolarHBondContact O-N 3.32Å; V480-S483 PolarHBondContact O-OG 3.05Å
481K52.8Low55.2Low167 Ų167106.8 Ų106.873%0.72656%0.556SS**THydrogen-bonded Turntrans-65.8-21.8171.1-78.5-179.7175.4178.50113.4D478 K479D478-K481 PolarHBondContact O-N 2.87Å; K479-K481 VanDerWaalsContact C-N 3.25Å; K479-K481 PolarHBondContact O-N 3.43Å
482E49.3Very low57.3Low170 Ų170103.6 Ų103.679%0.79455%0.546SS*.THydrogen-bonded Turntrans-93-19.2-178.8-68.8-17816700113.6K479 V480 A484K479-E482 PolarHBondContact O-N 2.88Å; V480-E482 PolarHBondContact O-N 3.45Å; E482-A484 PolarHBondContact O-N 3.07Å
483S50Low59.2Low65 Ų65106.3 Ų106.346%0.45555%0.554SS.*SBendtrans-87.292.717158.50000109.6V480 V485V480-S483 PolarHBondContact O-N 3.32Å; V480-S483 PolarHBondContact O-OG 3.05Å; S483-V485 PolarHBondContact O-N 3.35Å
484A54.4Low61.2Low102 Ų102102.6 Ų102.684%0.84354%0.535SS*.  trans-6773.3171.900000110.6E482 S486E482-A484 PolarHBondContact O-N 3.07Å; A484-S486 PolarHBondContact O-N 2.94Å
485V61.7Low63Low62 Ų6299 Ų9938%0.37652%0.518SS..  trans-63.1125.5167.2-179.30000106.6S483 E489 M490S483-V485 PolarHBondContact O-N 3.35Å; V485-E489 HydrophobicContact CG1-CB 3.63Å; V485-M490 HydrophobicContact CG1-CB 4.18Å
486S71.6Confident64.9Low49 Ų49101.6 Ų101.634%0.34352%0.524SS..  trans-61.6147.9178.668.30000109.8A484 Q488 E489 M490A484-S486 PolarHBondContact O-N 2.94Å; S486-Q488 PolarHBondContact O-N 3.42Å; S486-Q488 VanDerWaalsContact O-N 3.09Å; S486-E489 WeakPolarHBondContact CB-OE2 3.4Å; S486-E489 PolarHBondContact N-OE2 3.49Å; S486-E489 PolarHBondContact O-N 3.16Å; S486-E489 WeakPolarHBondContact OG-CB 3.43Å; S486-E489 WeakPolarHBondContact OG-CG 3.48Å; S486-E489 PolarHBondContact OG-N 3.33Å; S486-E489 PolarHBondContact OG-OE2 3.25Å; S486-M490 PolarHBondContact O-N 3.11Å
487K69.6Low66.7Low142 Ų14298.5 Ų98.562%0.61751%0.512SS*.Hα-helixtrans-52.6-36.1178.6-70.4-170.2-178.6-171.40111.8L491 A577K487-L491 VanDerWaalsContact O-CG 3.28Å; K487-L491 WeakPolarHBondContact O-CG 3.48Å; K487-L491 PolarHBondContact O-N 3.41Å; K487-A577 PolarHBondContact NZ-O 2.99Å
488Q70.8Confident68.6Low158 Ų15891.6 Ų91.674%0.73848%0.481SS*.Hα-helixtrans-65.8-48.5177.6-70.9-179.8-14.400111.9S486 M490 L491 T492S486-Q488 PolarHBondContact O-N 3.42Å; S486-Q488 VanDerWaalsContact O-N 3.09Å; Q488-M490 VanDerWaalsContact C-N 3.31Å; Q488-M490 PolarHBondContact O-N 3.49Å; Q488-L491 PolarHBondContact O-N 3.45Å; Q488-T492 WeakPolarHBondContact O-CG2 3.42Å; Q488-T492 PolarHBondContact O-N 3.16Å; Q488-T492 PolarHBondContact O-OG1 3.44Å
489E77.8Confident70.3Confident104 Ų10489.1 Ų89.149%0.48647%0.468SS..Hα-helixtrans-60.5-41.1176.8-73.2162.7152.400111.7V485 S486 L491 T492 L493V485-E489 HydrophobicContact CG1-CB 3.63Å; S486-E489 WeakPolarHBondContact CB-OE2 3.4Å; S486-E489 PolarHBondContact N-OE2 3.49Å; S486-E489 PolarHBondContact O-N 3.16Å; S486-E489 WeakPolarHBondContact OG-CB 3.43Å; S486-E489 WeakPolarHBondContact OG-CG 3.48Å; S486-E489 PolarHBondContact OG-N 3.33Å; S486-E489 PolarHBondContact OG-OE2 3.25Å; E489-L491 PolarHBondContact O-N 3.22Å; E489-T492 VanDerWaalsContact C-OG1 3.32Å; E489-T492 VanDerWaalsContact CA-OG1 3.28Å; E489-T492 WeakPolarHBondContact CA-OG1 3.42Å; E489-T492 PolarHBondContact O-N 3.46Å; E489-T492 PolarHBondContact O-OG1 2.9Å; E489-L493 WeakPolarHBondContact O-CB 3.47Å; E489-L493 WeakPolarHBondContact O-CG 3.17Å; E489-L493 PolarHBondContact O-N 2.95Å
490M74.6Confident71.9Confident96 Ų9690.6 Ų90.647%0.47347%0.47SS..Hα-helixtrans-60.9-46.3176.4-172.5-177.7-66.600111.7V485 S486 Q488 T492 L493 I494V485-M490 HydrophobicContact CG1-CB 4.18Å; S486-M490 PolarHBondContact O-N 3.11Å; Q488-M490 VanDerWaalsContact C-N 3.31Å; Q488-M490 PolarHBondContact O-N 3.49Å; M490-T492 PolarHBondContact O-N 2.79Å; M490-L493 PolarHBondContact O-N 3.2Å; M490-I494 HydrophobicContact CG-CD1 4.09Å; M490-I494 VanDerWaalsContact O-CG1 3.26Å; M490-I494 WeakPolarHBondContact O-CG1 3.42Å; M490-I494 PolarHBondContact O-N 2.91Å
491L76Confident73.5Confident58 Ų5888.3 Ų88.330%0.30445%0.454SS..Hα-helixtrans-62.4-41.8176-70.1172.9000111.6K487 Q488 E489 I494 V495 L531 M533 L578K487-L491 VanDerWaalsContact O-CG 3.28Å; K487-L491 WeakPolarHBondContact O-CG 3.48Å; K487-L491 PolarHBondContact O-N 3.41Å; Q488-L491 PolarHBondContact O-N 3.45Å; E489-L491 PolarHBondContact O-N 3.22Å; L491-I494 PolarHBondContact O-N 2.96Å; L491-V495 WeakPolarHBondContact O-CG2 3.27Å; L491-V495 PolarHBondContact O-N 3.31Å; L491-L531 HydrophobicContact CD2-CD2 3.33Å; L491-M533 HydrophobicContact CD2-CE 4.13Å; L491-L578 HydrophobicContact CD2-CD2 4.42Å
492T81.1Confident75Confident75 Ų7580.6 Ų80.646%0.4642%0.421SS..Hα-helixtrans-62.3-44.4176.756.70000112.1Q488 E489 M490 I494 V495 E496Q488-T492 WeakPolarHBondContact O-CG2 3.42Å; Q488-T492 PolarHBondContact O-N 3.16Å; Q488-T492 PolarHBondContact O-OG1 3.44Å; E489-T492 VanDerWaalsContact C-OG1 3.32Å; E489-T492 VanDerWaalsContact CA-OG1 3.28Å; E489-T492 WeakPolarHBondContact CA-OG1 3.42Å; E489-T492 PolarHBondContact O-N 3.46Å; E489-T492 PolarHBondContact O-OG1 2.9Å; M490-T492 PolarHBondContact O-N 2.79Å; T492-I494 VanDerWaalsContact C-N 3.34Å; T492-I494 PolarHBondContact O-N 3.38Å; T492-V495 PolarHBondContact O-N 2.86Å; T492-E496 WeakPolarHBondContact O-CB 3.32Å; T492-E496 WeakPolarHBondContact O-CG 3.02Å; T492-E496 PolarHBondContact O-N 2.86Å
493L81.4Confident76.6Confident101 Ų10177.2 Ų77.253%0.52941%0.408SS..Hα-helixtrans-62.6-39.9176.9-75.2166.4000111.9E489 M490 S497E489-L493 WeakPolarHBondContact O-CB 3.47Å; E489-L493 WeakPolarHBondContact O-CG 3.17Å; E489-L493 PolarHBondContact O-N 2.95Å; M490-L493 PolarHBondContact O-N 3.2Å; L493-S497 VanDerWaalsContact O-CB 3.23Å; L493-S497 WeakPolarHBondContact O-CB 3.45Å; L493-S497 PolarHBondContact O-N 3.25Å; L493-S497 PolarHBondContact O-OG 3.35Å
494I80.6Confident78.1Confident47 Ų4775.4 Ų75.424%0.24140%0.397CS..Hα-helixtrans-62.2-49.3175.9-69.5165.3000110.1M490 L491 T492 S497 F498 M525 L531 L534M490-I494 HydrophobicContact CG-CD1 4.09Å; M490-I494 VanDerWaalsContact O-CG1 3.26Å; M490-I494 WeakPolarHBondContact O-CG1 3.42Å; M490-I494 PolarHBondContact O-N 2.91Å; L491-I494 PolarHBondContact O-N 2.96Å; T492-I494 VanDerWaalsContact C-N 3.34Å; T492-I494 PolarHBondContact O-N 3.38Å; I494-S497 PolarHBondContact O-N 3.42Å; I494-S497 PolarHBondContact O-OG 3.47Å; I494-F498 WeakPolarHBondContact O-CB 3.38Å; I494-F498 PolarHBondContact O-N 2.91Å; I494-M525 HydrophobicContact CG2-CE 3.83Å; I494-L531 HydrophobicContact CG2-CD1 3.92Å; I494-L534 HydrophobicContact CG2-CD1 4.19Å
495V84.3Confident79Confident34 Ų3471.1 Ų71.121%0.20636%0.36CS..Hα-helixtrans-63.2-44.4-180173.40000111.7L491 T492 S497 F498 N499 M533 L534L491-V495 WeakPolarHBondContact O-CG2 3.27Å; L491-V495 PolarHBondContact O-N 3.31Å; T492-V495 PolarHBondContact O-N 2.86Å; V495-S497 PolarHBondContact O-N 3.37Å; V495-F498 PolarHBondContact O-N 3.46Å; V495-N499 PolarHBondContact O-N 2.97Å; V495-N499 PolarHBondContact O-ND2 3.1Å; V495-M533 HydrophobicContact CG2-CE 3.6Å; V495-M533 HydrophobicContact CG2-CG 4.42Å; V495-M533 HydrophobicContact CG2-SD 4.08Å; V495-L534 HydrophobicContact CG2-CD2 4.1Å
496E83.7Confident79.4Confident127 Ų12771.2 Ų71.259%0.59336%0.361SS*.Hα-helixtrans-63.1-42.2176.5-75.1-178.4178.900112T492 F498 N499 R500T492-E496 WeakPolarHBondContact O-CB 3.32Å; T492-E496 WeakPolarHBondContact O-CG 3.02Å; T492-E496 PolarHBondContact O-N 2.86Å; E496-F498 VanDerWaalsContact C-N 3.34Å; E496-F498 PolarHBondContact O-N 3.49Å; E496-N499 PolarHBondContact O-N 2.91Å; E496-R500 WeakPolarHBondContact O-CB 3Å; E496-R500 PolarHBondContact O-N 3.01Å
497S83.9Confident79Confident34 Ų3476.9 Ų76.924%0.23838%0.382CS..Hα-helixtrans-64.4-4017775.10000111.8L493 I494 V495 R500 I501L493-S497 VanDerWaalsContact O-CB 3.23Å; L493-S497 WeakPolarHBondContact O-CB 3.45Å; L493-S497 PolarHBondContact O-N 3.25Å; L493-S497 PolarHBondContact O-OG 3.35Å; I494-S497 PolarHBondContact O-N 3.42Å; I494-S497 PolarHBondContact O-OG 3.47Å; V495-S497 PolarHBondContact O-N 3.37Å; S497-R500 PolarHBondContact O-N 3.25Å; S497-I501 VanDerWaalsContact O-CG1 3.27Å; S497-I501 WeakPolarHBondContact O-CG1 3.37Å; S497-I501 PolarHBondContact O-N 3.45Å
498F86.6Confident78.5Confident0 Ų071.4 Ų71.40%036%0.361CS..Hα-helixtrans-62-51175.4-175.5-94.8000110.9I494 V495 E496 R500 I501 L502 L522 M525 A526 L534 R537 L538I494-F498 WeakPolarHBondContact O-CB 3.38Å; I494-F498 PolarHBondContact O-N 2.91Å; V495-F498 PolarHBondContact O-N 3.46Å; E496-F498 VanDerWaalsContact C-N 3.34Å; E496-F498 PolarHBondContact O-N 3.49Å; F498-R500 VanDerWaalsContact C-N 3.28Å; F498-R500 PolarHBondContact O-N 3.21Å; F498-I501 PolarHBondContact O-N 3.35Å; F498-I501 VanDerWaalsContact O-N 3.13Å; F498-L502 HydrophobicContact CD1-CD2 4.45Å; F498-L502 HydrophobicContact CE1-CD2 3.99Å; F498-L502 VanDerWaalsContact O-CB 3.29Å; F498-L502 WeakPolarHBondContact O-CB 3.18Å; F498-L502 PolarHBondContact O-N 3.43Å; F498-L522 HydrophobicContact CD2-CD2 3.79Å; F498-L522 HydrophobicContact CE1-CD2 4.49Å; F498-L522 HydrophobicContact CE2-CB 4.33Å; F498-L522 HydrophobicContact CE2-CD2 3.59Å; F498-L522 HydrophobicContact CG-CD2 4.33Å; F498-L522 HydrophobicContact CZ-CD2 3.97Å; F498-M525 HydrophobicContact CB-CE 4.07Å; F498-M525 HydrophobicContact CD2-CB 3.92Å; F498-M525 HydrophobicContact CD2-CE 4.01Å; F498-M525 HydrophobicContact CD2-SD 4.03Å; F498-M525 HydrophobicContact CE2-CB 4.01Å; F498-A526 HydrophobicContact CE2-CB 4.45Å; F498-A526 HydrophobicContact CZ-CB 4.41Å; F498-L534 HydrophobicContact CB-CD2 3.88Å; F498-L534 HydrophobicContact CD1-CD2 3.88Å; F498-L534 HydrophobicContact CD2-CD1 4.3Å; F498-L534 HydrophobicContact CD2-CD2 4.21Å; F498-L534 HydrophobicContact CE1-CD2 4.46Å; F498-L534 HydrophobicContact CE2-CB 4.46Å; F498-L534 HydrophobicContact CG-CD2 3.73Å; F498-L534 HydrophobicContact CZ-CB 4.42Å; F498-R537 HydrophobicContact CE1-CB 4.22Å; F498-L538 HydrophobicContact CZ-CB 4.18Å; F498-L538 HydrophobicContact CZ-CD1 4.45Å
499N85.8Confident77.8Confident45 Ų4570.3 Ų70.324%0.24136%0.358CS..Hα-helixtrans-60.1-38177.7-72.8-27.2000112.2V495 E496 L502 N503V495-N499 PolarHBondContact O-N 2.97Å; V495-N499 PolarHBondContact O-ND2 3.1Å; E496-N499 PolarHBondContact O-N 2.91Å; N499-L502 PolarHBondContact O-N 3.36Å; N499-N503 WeakPolarHBondContact O-CB 3.41Å; N499-N503 PolarHBondContact O-N 3.28Å; N499-N503 PolarHBondContact O-ND2 2.92Å
500R84.1Confident76.9Confident180 Ų18070 Ų7068%0.67936%0.363SS*.Hα-helixtrans-63.7-43.7175.4-173.4-179.567-167.1-1.4112E496 S497 F498 A504E496-R500 WeakPolarHBondContact O-CB 3Å; E496-R500 PolarHBondContact O-N 3.01Å; S497-R500 PolarHBondContact O-N 3.25Å; F498-R500 VanDerWaalsContact C-N 3.28Å; F498-R500 PolarHBondContact O-N 3.21Å; R500-A504 VanDerWaalsContact O-CB 3.31Å; R500-A504 WeakPolarHBondContact O-CB 3.41Å; R500-A504 PolarHBondContact O-N 3.03Å; R500-A504 VanDerWaalsContact O-N 3.12Å
501I84.4Confident76.2Confident38 Ų3868.4 Ų68.420%0.19537%0.371CS..Hα-helixtrans-67.9-41.1177.6-63.4164.2000110.3S497 F498 A504 N505 R518 I521 L522S497-I501 VanDerWaalsContact O-CG1 3.27Å; S497-I501 WeakPolarHBondContact O-CG1 3.37Å; S497-I501 PolarHBondContact O-N 3.45Å; F498-I501 PolarHBondContact O-N 3.35Å; F498-I501 VanDerWaalsContact O-N 3.13Å; I501-A504 PolarHBondContact O-N 3.22Å; I501-N505 PolarHBondContact O-N 3.23Å; I501-R518 HydrophobicContact CG2-CB 4.36Å; I501-R518 HydrophobicContact CG2-CG 4.41Å; I501-I521 HydrophobicContact CD1-CG2 4.11Å; I501-L522 HydrophobicContact CB-CD2 3.98Å; I501-L522 HydrophobicContact CG2-CD1 4.14Å; I501-L522 HydrophobicContact CG2-CD2 3.72Å; I501-L522 HydrophobicContact CG2-CG 3.74Å
502L84.2Confident75.8Confident5 Ų568.1 Ų68.13%0.02637%0.372CS..Hα-helixtrans-62.3-49.4179.7-16865.9000111.3F498 N499 A504 N505 L522 L538 Y541 L552F498-L502 HydrophobicContact CD1-CD2 4.45Å; F498-L502 HydrophobicContact CE1-CD2 3.99Å; F498-L502 VanDerWaalsContact O-CB 3.29Å; F498-L502 WeakPolarHBondContact O-CB 3.18Å; F498-L502 PolarHBondContact O-N 3.43Å; N499-L502 PolarHBondContact O-N 3.36Å; L502-A504 VanDerWaalsContact C-N 3.3Å; L502-A504 PolarHBondContact O-N 3.4Å; L502-N505 WeakPolarHBondContact O-CB 3.37Å; L502-N505 PolarHBondContact O-N 3.48Å; L502-L522 HydrophobicContact CB-CD2 4.1Å; L502-L522 HydrophobicContact CD1-CD1 3.87Å; L502-L522 HydrophobicContact CD1-CD2 4.17Å; L502-L538 HydrophobicContact CD1-CD1 3.78Å; L502-Y541 HydrophobicContact CD1-CD1 3.59Å; L502-Y541 HydrophobicContact CD1-CD2 4.15Å; L502-Y541 HydrophobicContact CD1-CE1 3.98Å; L502-Y541 HydrophobicContact CD1-CE2 4.47Å; L502-Y541 HydrophobicContact CD1-CG 3.69Å; L502-Y541 HydrophobicContact CD2-CD2 3.91Å; L502-Y541 HydrophobicContact CD2-CG 3.77Å; L502-Y541 HydrophobicContact CG-CD1 4.02Å; L502-Y541 HydrophobicContact CG-CD2 3.61Å; L502-Y541 HydrophobicContact CG-CE1 4.39Å; L502-Y541 HydrophobicContact CG-CE2 4.01Å; L502-Y541 HydrophobicContact CG-CG 3.61Å; L502-Y541 PolarHBondContact O-OH 3.23Å; L502-L552 HydrophobicContact CD1-CD2 4.32Å
503N82.7Confident75.3Confident100 Ų10071.1 Ų71.154%0.53538%0.379SS..Hα-helixtrans-63.3-36.3176.5-70.4-19.7000112N499 N505 T506N499-N503 WeakPolarHBondContact O-CB 3.41Å; N499-N503 PolarHBondContact O-N 3.28Å; N499-N503 PolarHBondContact O-ND2 2.92Å; N503-N505 PolarHBondContact O-N 3.05Å; N503-T506 PolarHBondContact O-N 3.33Å; N503-T506 PolarHBondContact O-OG1 3.5Å
504A79.9Confident75Confident27 Ų2770.2 Ų70.222%0.22338%0.377CS..Hα-helixtrans-68.7-15.5176.300000113.4R500 I501 L502 T506 Q507 R518R500-A504 VanDerWaalsContact O-CB 3.31Å; R500-A504 WeakPolarHBondContact O-CB 3.41Å; R500-A504 PolarHBondContact O-N 3.03Å; R500-A504 VanDerWaalsContact O-N 3.12Å; I501-A504 PolarHBondContact O-N 3.22Å; L502-A504 VanDerWaalsContact C-N 3.3Å; L502-A504 PolarHBondContact O-N 3.4Å; A504-T506 VanDerWaalsContact C-N 3.32Å; A504-Q507 PolarHBondContact O-N 3.01Å; A504-R518 PolarHBondContact O-NH1 3.38Å
505N74.6Confident74.6Confident12 Ų1268.3 Ų68.36%0.06437%0.369CS..Hα-helixtrans-73.1-23.9176.9-15943.8000112.5I501 L502 N503 Q507 T508 L522I501-N505 PolarHBondContact O-N 3.23Å; L502-N505 WeakPolarHBondContact O-CB 3.37Å; L502-N505 PolarHBondContact O-N 3.48Å; N503-N505 PolarHBondContact O-N 3.05Å; N505-Q507 PolarHBondContact O-N 3.32Å; N505-T508 PolarHBondContact O-N 2.86Å; N505-T508 PolarHBondContact O-OG1 3.31Å; N505-T508 PolarHBondContact OD1-OG1 3.49Å; N505-L522 HydrophobicContact CB-CD1 4.48Å
506T69Low74.2Confident64 Ų6472.2 Ų72.239%0.39339%0.385SS..THydrogen-bonded Turntrans-64.4-29.5174.259.90000112.9N503 A504 Y541N503-T506 PolarHBondContact O-N 3.33Å; N503-T506 PolarHBondContact O-OG1 3.5Å; A504-T506 VanDerWaalsContact C-N 3.32Å; T506-Y541 HydrophobicContact CG2-CE2 3.96Å; T506-Y541 WeakPolarHBondContact CG2-OH 3.21Å; T506-Y541 PolarHBondContact N-OH 3.46Å
507Q64.6Low73.9Confident167 Ų16772.2 Ų72.278%0.7838%0.384SS*.THydrogen-bonded Turntrans-92.6-7.9-173.9-63.2179.7-6.200113.1A504 N505A504-Q507 PolarHBondContact O-N 3.01Å; N505-Q507 PolarHBondContact O-N 3.32Å
508T59Low73.7Confident28 Ų2874.2 Ų74.217%0.17239%0.387CS..SBendtrans-84.7131.1-176.436.70000112.1N505 V510N505-T508 PolarHBondContact O-N 2.86Å; N505-T508 PolarHBondContact O-OG1 3.31Å; N505-T508 PolarHBondContact OD1-OG1 3.49Å; T508-V510 PolarHBondContact O-N 2.92Å
509I55.8Low73.5Confident134 Ų13475 Ų7569%0.68739%0.391SS*.PPolyproline II helixtrans-63.8122.6170.4-57.9171.3000108.3T512I509-T512 HydrophobicContact CB-CG2 4.11Å; I509-T512 HydrophobicContact CG2-CG2 4.46Å; I509-T512 WeakPolarHBondContact O-CG2 3.35Å; I509-T512 PolarHBondContact O-N 3.43Å; I509-T512 PolarHBondContact O-OG1 2.84Å
510V58.9Low73.2Confident98 Ų9874.9 Ų74.959%0.59440%0.396SS*.THydrogen-bonded Turntrans-53.4134.2175.4174.80000110.1T508 D551T508-V510 PolarHBondContact O-N 2.92Å; V510-D551 WeakPolarHBondContact CG1-OD2 3.31Å
511G60.1Low73.1Confident62 Ų6270 Ų7064%0.63938%0.383SS*.THydrogen-bonded Turntrans88.63.1179.600000116.1
512T67.2Low73.1Confident52 Ų5268.2 Ų68.232%0.31937%0.373SS..  trans-82142.8171.8590000111.2I509 V514 A515 E516I509-T512 HydrophobicContact CB-CG2 4.11Å; I509-T512 HydrophobicContact CG2-CG2 4.46Å; I509-T512 WeakPolarHBondContact O-CG2 3.35Å; I509-T512 PolarHBondContact O-N 3.43Å; I509-T512 PolarHBondContact O-OG1 2.84Å; T512-V514 PolarHBondContact O-N 2.99Å; T512-A515 WeakPolarHBondContact O-CB 3.38Å; T512-A515 PolarHBondContact O-N 3.01Å; T512-A515 WeakPolarHBondContact OG1-CB 3.34Å; T512-A515 PolarHBondContact OG1-N 3.18Å; T512-E516 PolarHBondContact O-N 3.07Å; T512-E516 VanDerWaalsContact O-N 3.15Å
513K70.8Confident73.1Confident138 Ų13868.1 Ų68.160%0.637%0.373SS*.Hα-helixtrans-52.8-32.6173.8-69.9-176.3179.9177.10112.6E516 H517K513-E516 PolarHBondContact O-N 3.41Å; K513-H517 PolarHBondContact O-N 3.42Å; K513-H517 PolarHBondContact O-ND1 3.02Å
514V74.9Confident72.9Confident82 Ų8266.2 Ų66.250%0.49737%0.368SS..Hα-helixtrans-65.4-42.4177.3-179.60000111.2T512 H517 R518T512-V514 PolarHBondContact O-N 2.99Å; V514-H517 PolarHBondContact O-N 3.49Å; V514-R518 WeakPolarHBondContact O-CG 3.18Å; V514-R518 PolarHBondContact O-N 3.34Å
515A72.8Confident72.8Confident7 Ų766.7 Ų66.76%0.05837%0.366CS..Hα-helixtrans-62.3-45.7175.200000111T512 H517 R518 I519T512-A515 WeakPolarHBondContact O-CB 3.38Å; T512-A515 PolarHBondContact O-N 3.01Å; T512-A515 WeakPolarHBondContact OG1-CB 3.34Å; T512-A515 PolarHBondContact OG1-N 3.18Å; A515-H517 VanDerWaalsContact C-N 3.34Å; A515-H517 PolarHBondContact O-N 3.38Å; A515-R518 PolarHBondContact O-N 2.83Å; A515-R518 VanDerWaalsContact O-N 3.17Å; A515-I519 WeakPolarHBondContact O-CB 3.43Å; A515-I519 VanDerWaalsContact O-CG1 3.29Å; A515-I519 WeakPolarHBondContact O-CG1 3.38Å; A515-I519 PolarHBondContact O-N 3.4Å
516E75.7Confident73.1Confident117 Ų11766.5 Ų66.555%0.54737%0.366SS..Hα-helixtrans-57-45.6177.3-65.5176.1167.600112.2T512 K513 I519 A520T512-E516 PolarHBondContact O-N 3.07Å; T512-E516 VanDerWaalsContact O-N 3.15Å; K513-E516 PolarHBondContact O-N 3.41Å; E516-I519 PolarHBondContact O-N 3.42Å; E516-A520 WeakPolarHBondContact O-CB 3.2Å; E516-A520 PolarHBondContact O-N 2.97Å
517H76.1Confident73.3Confident126 Ų12665.2 Ų65.258%0.58336%0.359SS*.Hα-helixtrans-66.7-39.2178.2-74.373.6000112K513 V514 A515 A520 I521K513-H517 PolarHBondContact O-N 3.42Å; K513-H517 PolarHBondContact O-ND1 3.02Å; V514-H517 PolarHBondContact O-N 3.49Å; A515-H517 VanDerWaalsContact C-N 3.34Å; A515-H517 PolarHBondContact O-N 3.38Å; H517-A520 PolarHBondContact O-N 3.1Å; H517-I521 WeakPolarHBondContact O-CD1 3.45Å; H517-I521 WeakPolarHBondContact O-CG1 3.4Å; H517-I521 PolarHBondContact O-N 3.17Å
518R80.6Confident73.5Confident77 Ų7758.8 Ų58.829%0.29133%0.333SS..Hα-helixtrans-64.9-45.7176.4-74.3178.5-172.5-174.43.3111.7I501 A504 V514 A515 A520 I521 L522I501-R518 HydrophobicContact CG2-CB 4.36Å; I501-R518 HydrophobicContact CG2-CG 4.41Å; A504-R518 PolarHBondContact O-NH1 3.38Å; V514-R518 WeakPolarHBondContact O-CG 3.18Å; V514-R518 PolarHBondContact O-N 3.34Å; A515-R518 PolarHBondContact O-N 2.83Å; A515-R518 VanDerWaalsContact O-N 3.17Å; R518-A520 VanDerWaalsContact C-N 3.32Å; R518-A520 PolarHBondContact O-N 3.14Å; R518-I521 PolarHBondContact O-N 2.95Å; R518-L522 WeakPolarHBondContact O-CG 3.5Å; R518-L522 PolarHBondContact O-N 3.28Å
519I81.5Confident73.6Confident16 Ų1659.9 Ų59.98%0.08235%0.35CS..Hα-helixtrans-57.7-47.9174.9-69.6167.8000109.6A515 E516 I521 L522 V523 D551 L552 M555A515-I519 WeakPolarHBondContact O-CB 3.43Å; A515-I519 VanDerWaalsContact O-CG1 3.29Å; A515-I519 WeakPolarHBondContact O-CG1 3.38Å; A515-I519 PolarHBondContact O-N 3.4Å; E516-I519 PolarHBondContact O-N 3.42Å; I519-I521 VanDerWaalsContact C-N 3.33Å; I519-I521 PolarHBondContact O-N 3.03Å; I519-L522 PolarHBondContact O-N 2.93Å; I519-V523 HydrophobicContact CG2-CG2 4.19Å; I519-V523 WeakPolarHBondContact O-CB 3.43Å; I519-V523 VanDerWaalsContact O-CG2 3.25Å; I519-V523 WeakPolarHBondContact O-CG2 3.46Å; I519-V523 PolarHBondContact O-N 3.49Å; I519-D551 HydrophobicContact CD1-CB 3.9Å; I519-L552 HydrophobicContact CB-CD1 4.36Å; I519-L552 HydrophobicContact CG1-CD1 4.21Å; I519-L552 HydrophobicContact CG2-CD1 3.98Å; I519-M555 HydrophobicContact CG2-CB 3.63Å; I519-M555 HydrophobicContact CG2-CG 3.78Å
520A80.6Confident74.1Confident43 Ų4355.7 Ų55.736%0.35534%0.339SS..Hα-helixtrans-59.8-41.317800000112.6E516 H517 R518 S524E516-A520 WeakPolarHBondContact O-CB 3.2Å; E516-A520 PolarHBondContact O-N 2.97Å; H517-A520 PolarHBondContact O-N 3.1Å; R518-A520 VanDerWaalsContact C-N 3.32Å; R518-A520 PolarHBondContact O-N 3.14Å; A520-S524 VanDerWaalsContact O-CB 3.25Å; A520-S524 WeakPolarHBondContact O-CB 3.48Å; A520-S524 PolarHBondContact O-N 3.13Å; A520-S524 PolarHBondContact O-OG 2.9Å
521I81.9Confident74.8Confident77 Ų7752.1 Ų52.140%0.39532%0.317SS..Hα-helixtrans-63.2-52.4175.8-68.4162.2000110.4I501 H517 R518 I519 V523 S524 M525I501-I521 HydrophobicContact CD1-CG2 4.11Å; H517-I521 WeakPolarHBondContact O-CD1 3.45Å; H517-I521 WeakPolarHBondContact O-CG1 3.4Å; H517-I521 PolarHBondContact O-N 3.17Å; R518-I521 PolarHBondContact O-N 2.95Å; I519-I521 VanDerWaalsContact C-N 3.33Å; I519-I521 PolarHBondContact O-N 3.03Å; I521-V523 VanDerWaalsContact C-N 3.34Å; I521-V523 PolarHBondContact O-N 3.07Å; I521-S524 PolarHBondContact O-N 3.08Å; I521-S524 PolarHBondContact O-OG 2.91Å; I521-M525 HydrophobicContact CG2-CG 4.39Å; I521-M525 HydrophobicContact CG2-SD 3.9Å; I521-M525 WeakPolarHBondContact O-CG 3.47Å; I521-M525 PolarHBondContact O-N 3.06Å
522L83.8Confident75.3Confident0 Ų053.7 Ų53.70%032%0.316CS..Hα-helixtrans-57.1-47.5179.8-71.9170.8000111.7F498 I501 L502 N505 R518 I519 M525 A526 L552F498-L522 HydrophobicContact CD2-CD2 3.79Å; F498-L522 HydrophobicContact CE1-CD2 4.49Å; F498-L522 HydrophobicContact CE2-CB 4.33Å; F498-L522 HydrophobicContact CE2-CD2 3.59Å; F498-L522 HydrophobicContact CG-CD2 4.33Å; F498-L522 HydrophobicContact CZ-CD2 3.97Å; I501-L522 HydrophobicContact CB-CD2 3.98Å; I501-L522 HydrophobicContact CG2-CD1 4.14Å; I501-L522 HydrophobicContact CG2-CD2 3.72Å; I501-L522 HydrophobicContact CG2-CG 3.74Å; L502-L522 HydrophobicContact CB-CD2 4.1Å; L502-L522 HydrophobicContact CD1-CD1 3.87Å; L502-L522 HydrophobicContact CD1-CD2 4.17Å; N505-L522 HydrophobicContact CB-CD1 4.48Å; R518-L522 WeakPolarHBondContact O-CG 3.5Å; R518-L522 PolarHBondContact O-N 3.28Å; I519-L522 PolarHBondContact O-N 2.93Å; L522-M525 PolarHBondContact O-N 3.38Å; L522-A526 WeakPolarHBondContact O-CB 3.5Å; L522-A526 PolarHBondContact O-N 3.09Å; L522-L552 HydrophobicContact CB-CD1 4.24Å; L522-L552 HydrophobicContact CD1-CD1 4.15Å
523V83.8Confident75.8Confident3 Ų354.7 Ų54.72%0.01832%0.318CS..Hα-helixtrans-63.1-43.2177.9168.80000110.9I519 I521 M525 A526 S527 L552 M555 W556 R559I519-V523 HydrophobicContact CG2-CG2 4.19Å; I519-V523 WeakPolarHBondContact O-CB 3.43Å; I519-V523 VanDerWaalsContact O-CG2 3.25Å; I519-V523 WeakPolarHBondContact O-CG2 3.46Å; I519-V523 PolarHBondContact O-N 3.49Å; I521-V523 VanDerWaalsContact C-N 3.34Å; I521-V523 PolarHBondContact O-N 3.07Å; V523-M525 VanDerWaalsContact C-N 3.34Å; V523-M525 PolarHBondContact O-N 3.19Å; V523-A526 PolarHBondContact O-N 3.27Å; V523-S527 VanDerWaalsContact O-CB 3.3Å; V523-S527 WeakPolarHBondContact O-CB 3.27Å; V523-S527 PolarHBondContact O-N 3.21Å; V523-S527 PolarHBondContact O-OG 3.44Å; V523-L552 HydrophobicContact CG2-CD1 4.21Å; V523-M555 HydrophobicContact CG2-CB 4.4Å; V523-M555 HydrophobicContact CG2-CG 4.29Å; V523-W556 HydrophobicContact CG1-CB 4.5Å; V523-W556 HydrophobicContact CG2-CB 3.89Å; V523-W556 HydrophobicContact CG2-CG 4.43Å; V523-R559 HydrophobicContact CG1-CB 3.36Å; V523-R559 HydrophobicContact CG1-CG 3.59Å
524S78.3Confident76.4Confident61 Ų6148.1 Ų48.143%0.42729%0.289SS..Hα-helixtrans-64.5-37.2177.975.10000113A520 I521 S528A520-S524 VanDerWaalsContact O-CB 3.25Å; A520-S524 WeakPolarHBondContact O-CB 3.48Å; A520-S524 PolarHBondContact O-N 3.13Å; A520-S524 PolarHBondContact O-OG 2.9Å; I521-S524 PolarHBondContact O-N 3.08Å; I521-S524 PolarHBondContact O-OG 2.91Å; S524-S528 PolarHBondContact O-N 2.95Å
525M79.5Confident76.8Confident37 Ų3746.7 Ų46.718%0.18228%0.277CS..Hα-helixtrans-71.2-43.6177.5-70.6-179.471.300111.1I494 F498 I521 L522 V523 S528 L534I494-M525 HydrophobicContact CG2-CE 3.83Å; F498-M525 HydrophobicContact CB-CE 4.07Å; F498-M525 HydrophobicContact CD2-CB 3.92Å; F498-M525 HydrophobicContact CD2-CE 4.01Å; F498-M525 HydrophobicContact CD2-SD 4.03Å; F498-M525 HydrophobicContact CE2-CB 4.01Å; I521-M525 HydrophobicContact CG2-CG 4.39Å; I521-M525 HydrophobicContact CG2-SD 3.9Å; I521-M525 WeakPolarHBondContact O-CG 3.47Å; I521-M525 PolarHBondContact O-N 3.06Å; L522-M525 PolarHBondContact O-N 3.38Å; V523-M525 VanDerWaalsContact C-N 3.34Å; V523-M525 PolarHBondContact O-N 3.19Å; M525-S528 WeakPolarHBondContact O-CB 3.45Å; M525-S528 PolarHBondContact O-N 2.88Å; M525-S528 PolarHBondContact O-OG 3.39Å; M525-L534 HydrophobicContact CB-CD1 4.22Å; M525-L534 HydrophobicContact CE-CD1 4.35Å
526A79.9Confident77.4Confident8 Ų850.5 Ų50.57%0.06630%0.296CS..Hα-helixtrans-70.1-32.1179.400000113.3F498 L522 V523 S528 L538 W556F498-A526 HydrophobicContact CE2-CB 4.45Å; F498-A526 HydrophobicContact CZ-CB 4.41Å; L522-A526 WeakPolarHBondContact O-CB 3.5Å; L522-A526 PolarHBondContact O-N 3.09Å; V523-A526 PolarHBondContact O-N 3.27Å; A526-S528 VanDerWaalsContact C-N 3.32Å; A526-L538 HydrophobicContact CB-CB 4.38Å; A526-L538 HydrophobicContact CB-CD2 3.47Å; A526-L538 VanDerWaalsContact CB-CD2 3.47Å; A526-W556 HydrophobicContact CB-CZ2 4.35Å
527S73.8Confident77.8Confident36 Ų3650.5 Ų50.525%0.25229%0.291SS..THydrogen-bonded Turntrans-81.1-8.7174.4-700000113.6V523 G529V523-S527 VanDerWaalsContact O-CB 3.3Å; V523-S527 WeakPolarHBondContact O-CB 3.27Å; V523-S527 PolarHBondContact O-N 3.21Å; V523-S527 PolarHBondContact O-OG 3.44Å; S527-G529 PolarHBondContact O-N 2.76Å
528S68.5Low78.3Confident32 Ų3244.5 Ų44.522%0.22426%0.263CS..SBendtrans-69.5120.417772.80000109.9S524 M525 A526 G530 L531S524-S528 PolarHBondContact O-N 2.95Å; M525-S528 WeakPolarHBondContact O-CB 3.45Å; M525-S528 PolarHBondContact O-N 2.88Å; M525-S528 PolarHBondContact O-OG 3.39Å; A526-S528 VanDerWaalsContact C-N 3.32Å; S528-G530 PolarHBondContact O-N 2.6Å; S528-L531 PolarHBondContact O-N 3.5Å
529G61.1Low78.7Confident51 Ų5141 Ų4153%0.52625%0.25SS..THydrogen-bonded Turntrans-60.5-15.6-168.500000115.9S527S527-G529 PolarHBondContact O-N 2.76Å
530G65.4Low79Confident46 Ų4644.4 Ų44.447%0.47427%0.266SS..THydrogen-bonded Turntrans-84.7-4.4-175.700000116.5S528S528-G530 PolarHBondContact O-N 2.6Å
531L73.6Confident79.3Confident23 Ų2343 Ų4312%0.1225%0.251CS..  trans-139.669.4-169.3-59.5167.3000113L491 I494 S528 M533 L534L491-L531 HydrophobicContact CD2-CD2 3.33Å; I494-L531 HydrophobicContact CG2-CD1 3.92Å; S528-L531 PolarHBondContact O-N 3.5Å; L531-M533 HydrophobicContact CB-CE 4.21Å; L531-M533 HydrophobicContact CD2-CE 3.42Å; L531-M533 VanDerWaalsContact CD2-CE 3.42Å; L531-M533 HydrophobicContact CG-CE 4.34Å; L531-M533 PolarHBondContact O-N 2.81Å; L531-M533 VanDerWaalsContact O-N 3.16Å; L531-L534 HydrophobicContact CB-CD1 3.87Å; L531-L534 HydrophobicContact CB-CG 3.97Å; L531-L534 HydrophobicContact CD1-CD1 3.72Å; L531-L534 HydrophobicContact CG-CD1 4.44Å; L531-L534 WeakPolarHBondContact O-CB 3.41Å; L531-L534 PolarHBondContact O-N 2.77Å
532P71.8Confident79.6Confident96 Ų9639.4 Ų39.462%0.62323%0.233SC*.Hα-helixtrans-58.7-31.8-175.823.3-33.8000113.7L534 K535 D536P532-L534 PolarHBondContact O-N 2.63Å; P532-L534 VanDerWaalsContact O-N 3.12Å; P532-K535 WeakPolarHBondContact O-CB 3.43Å; P532-K535 PolarHBondContact O-N 2.79Å; P532-D536 PolarHBondContact O-N 3.01Å
533M77.1Confident79.8Confident72 Ų7242.5 Ų42.536%0.35524%0.244SC..Hα-helixtrans-57.7-26.5175.867.4-156.2171.400114.1L491 V495 L531 R537L491-M533 HydrophobicContact CD2-CE 4.13Å; V495-M533 HydrophobicContact CG2-CE 3.6Å; V495-M533 HydrophobicContact CG2-CG 4.42Å; V495-M533 HydrophobicContact CG2-SD 4.08Å; L531-M533 HydrophobicContact CB-CE 4.21Å; L531-M533 HydrophobicContact CD2-CE 3.42Å; L531-M533 VanDerWaalsContact CD2-CE 3.42Å; L531-M533 HydrophobicContact CG-CE 4.34Å; L531-M533 PolarHBondContact O-N 2.81Å; L531-M533 VanDerWaalsContact O-N 3.16Å; M533-R537 VanDerWaalsContact O-CG 3.29Å; M533-R537 WeakPolarHBondContact O-CG 3.38Å; M533-R537 PolarHBondContact O-N 2.83Å
534L83.2Confident79.9Confident0 Ų046.6 Ų46.60%027%0.266CS..Hα-helixtrans-74.4-34.7176.8-63.3-175.5000111.6I494 V495 F498 M525 L531 P532 L538I494-L534 HydrophobicContact CG2-CD1 4.19Å; V495-L534 HydrophobicContact CG2-CD2 4.1Å; F498-L534 HydrophobicContact CB-CD2 3.88Å; F498-L534 HydrophobicContact CD1-CD2 3.88Å; F498-L534 HydrophobicContact CD2-CD1 4.3Å; F498-L534 HydrophobicContact CD2-CD2 4.21Å; F498-L534 HydrophobicContact CE1-CD2 4.46Å; F498-L534 HydrophobicContact CE2-CB 4.46Å; F498-L534 HydrophobicContact CG-CD2 3.73Å; F498-L534 HydrophobicContact CZ-CB 4.42Å; M525-L534 HydrophobicContact CB-CD1 4.22Å; M525-L534 HydrophobicContact CE-CD1 4.35Å; L531-L534 HydrophobicContact CB-CD1 3.87Å; L531-L534 HydrophobicContact CB-CG 3.97Å; L531-L534 HydrophobicContact CD1-CD1 3.72Å; L531-L534 HydrophobicContact CG-CD1 4.44Å; L531-L534 WeakPolarHBondContact O-CB 3.41Å; L531-L534 PolarHBondContact O-N 2.77Å; P532-L534 PolarHBondContact O-N 2.63Å; P532-L534 VanDerWaalsContact O-N 3.12Å; L534-L538 WeakPolarHBondContact O-CB 3.45Å; L534-L538 PolarHBondContact O-N 2.99Å
535K83.3Confident80.2Confident53 Ų5346.4 Ų46.423%0.2326%0.26CS..Hα-helixtrans-61.8-47.7172.5164.3177.9-178.1-155.40110.3P532 R537 L538 L539 W556 E594P532-K535 WeakPolarHBondContact O-CB 3.43Å; P532-K535 PolarHBondContact O-N 2.79Å; K535-R537 VanDerWaalsContact C-N 3.32Å; K535-R537 PolarHBondContact O-N 3.3Å; K535-L538 WeakPolarHBondContact O-CB 3.29Å; K535-L538 PolarHBondContact O-N 3.02Å; K535-L538 VanDerWaalsContact O-N 3.13Å; K535-L539 HydrophobicContact CG-CD1 4.35Å; K535-L539 PolarHBondContact O-N 2.83Å; K535-W556 HydrophobicContact CB-CH2 4.44Å; K535-W556 HydrophobicContact CB-CZ2 4.16Å; K535-W556 HydrophobicContact CD-CZ2 4.43Å; K535-W556 HydrophobicContact CG-CH2 3.82Å; K535-W556 HydrophobicContact CG-CZ2 3.73Å; K535-E594 WeakPolarHBondContact CE-OE2 3.27Å; K535-E594 IonicContact NZ-OE1 2.72Å; K535-E594 IonicContact NZ-OE2 3.19Å; K535-E594 PolarHBondContact NZ-OE2 3.43Å
536D85.5Confident80.4Confident87 Ų8745.4 Ų45.447%0.46526%0.257SS..Hα-helixtrans-61.8-41.2-179.8-60.6-23000111.8P532 L538 L539 E540P532-D536 PolarHBondContact O-N 3.01Å; D536-L538 PolarHBondContact O-N 3.23Å; D536-L539 PolarHBondContact O-N 3.39Å; D536-E540 WeakPolarHBondContact O-CB 3.24Å; D536-E540 PolarHBondContact O-N 3.35Å
537R84.6Confident80.4Confident117 Ų11752.6 Ų52.644%0.44229%0.287SS..Hα-helixtrans-64.9-37.6174.8-72.3-65.3-172.1-174.54.2113F498 M533 K535 E540 Y541F498-R537 HydrophobicContact CE1-CB 4.22Å; M533-R537 VanDerWaalsContact O-CG 3.29Å; M533-R537 WeakPolarHBondContact O-CG 3.38Å; M533-R537 PolarHBondContact O-N 2.83Å; K535-R537 VanDerWaalsContact C-N 3.32Å; K535-R537 PolarHBondContact O-N 3.3Å; R537-E540 IonicContact CZ-OE2 2.71Å; R537-E540 IonicContact NH1-OE2 3.96Å; R537-E540 PolarHBondContact NH1-OE2 3.49Å; R537-Y541 WeakPolarHBondContact O-CB 3.35Å; R537-Y541 PolarHBondContact O-N 2.83Å
538L87.1Confident80.7Confident0 Ų053.8 Ų53.80%029%0.292CS..Hα-helixtrans-67-41.6176.2-172.458.1000111.2F498 L502 A526 L534 K535 D536 Y541 I542 L552 W556F498-L538 HydrophobicContact CZ-CB 4.18Å; F498-L538 HydrophobicContact CZ-CD1 4.45Å; L502-L538 HydrophobicContact CD1-CD1 3.78Å; A526-L538 HydrophobicContact CB-CB 4.38Å; A526-L538 HydrophobicContact CB-CD2 3.47Å; A526-L538 VanDerWaalsContact CB-CD2 3.47Å; L534-L538 WeakPolarHBondContact O-CB 3.45Å; L534-L538 PolarHBondContact O-N 2.99Å; K535-L538 WeakPolarHBondContact O-CB 3.29Å; K535-L538 PolarHBondContact O-N 3.02Å; K535-L538 VanDerWaalsContact O-N 3.13Å; D536-L538 PolarHBondContact O-N 3.23Å; L538-Y541 PolarHBondContact O-N 3.01Å; L538-I542 HydrophobicContact CD1-CD1 4.3Å; L538-I542 HydrophobicContact CG-CD1 4.03Å; L538-I542 VanDerWaalsContact O-CG1 3.26Å; L538-I542 WeakPolarHBondContact O-CG1 3.46Å; L538-I542 PolarHBondContact O-N 3.37Å; L538-L552 HydrophobicContact CD1-CD1 4.2Å; L538-L552 HydrophobicContact CD1-CD2 3.77Å; L538-L552 HydrophobicContact CD1-CG 4.12Å; L538-W556 HydrophobicContact CB-CH2 3.94Å; L538-W556 HydrophobicContact CB-CZ3 4.02Å; L538-W556 HydrophobicContact CD2-CD2 3.53Å; L538-W556 HydrophobicContact CD2-CE3 3.56Å; L538-W556 HydrophobicContact CD2-CG 4.1Å; L538-W556 HydrophobicContact CD2-CH2 3.87Å; L538-W556 HydrophobicContact CD2-CZ2 3.89Å; L538-W556 HydrophobicContact CD2-CZ3 3.73Å; L538-W556 HydrophobicContact CG-CD2 4.34Å; L538-W556 HydrophobicContact CG-CE3 3.85Å; L538-W556 HydrophobicContact CG-CH2 4Å; L538-W556 HydrophobicContact CG-CZ3 3.66Å
539L88.5Confident81.5Confident3 Ų352.2 Ų52.22%0.01628%0.282CS..Hα-helixtrans-59.1-52.9173.5-74.2169.5000111.4K535 D536 Y541 I542 W543 W556 E594 L595K535-L539 HydrophobicContact CG-CD1 4.35Å; K535-L539 PolarHBondContact O-N 2.83Å; D536-L539 PolarHBondContact O-N 3.39Å; L539-Y541 VanDerWaalsContact C-N 3.26Å; L539-Y541 PolarHBondContact O-N 3.07Å; L539-I542 PolarHBondContact O-N 3.19Å; L539-I542 VanDerWaalsContact O-N 3.1Å; L539-W543 HydrophobicContact CB-CD2 4.47Å; L539-W543 HydrophobicContact CB-CE3 4.39Å; L539-W543 HydrophobicContact CB-CH2 3.92Å; L539-W543 HydrophobicContact CB-CZ2 4Å; L539-W543 HydrophobicContact CB-CZ3 4.12Å; L539-W543 HydrophobicContact CD1-CH2 4.26Å; L539-W543 HydrophobicContact CD1-CZ2 4.41Å; L539-W543 HydrophobicContact CD2-CZ2 3.96Å; L539-W543 HydrophobicContact CG-CH2 4.46Å; L539-W543 HydrophobicContact CG-CZ2 4.33Å; L539-W543 VanDerWaalsContact O-CG 3.32Å; L539-W543 PolarHBondContact O-N 3.32Å; L539-W556 HydrophobicContact CD2-CH2 3.96Å; L539-W556 HydrophobicContact CD2-CZ3 3.69Å; L539-W556 HydrophobicContact CG-CH2 3.78Å; L539-W556 HydrophobicContact CG-CZ3 3.92Å; L539-E594 HydrophobicContact CD1-CG 3.84Å; L539-E594 WeakPolarHBondContact CD1-OE1 3.24Å; L539-L595 HydrophobicContact CD2-CB 4.01Å; L539-L595 HydrophobicContact CD2-CD1 3.87Å
540E87.2Confident82.6Confident87 Ų8751.3 Ų51.341%0.40726%0.264SS..Hα-helixtrans-55.4-43.2179.4-174.3-178.3-165.700111.2D536 R537 N544D536-E540 WeakPolarHBondContact O-CB 3.24Å; D536-E540 PolarHBondContact O-N 3.35Å; R537-E540 IonicContact CZ-OE2 2.71Å; R537-E540 IonicContact NH1-OE2 3.96Å; R537-E540 PolarHBondContact NH1-OE2 3.49Å; E540-N544 WeakPolarHBondContact O-CB 3.5Å; E540-N544 PolarHBondContact O-N 3.47Å; E540-N544 PolarHBondContact O-ND2 3.05Å; E540-N544 VanDerWaalsContact O-ND2 3.14Å
541Y87.4Confident83.5Confident15 Ų1552.6 Ų52.66%0.05926%0.261CS..Hα-helixtrans-65.3-43.2177.2177.3-91000113.2L502 T506 R537 L538 L539 N544 N545 L552L502-Y541 HydrophobicContact CD1-CD1 3.59Å; L502-Y541 HydrophobicContact CD1-CD2 4.15Å; L502-Y541 HydrophobicContact CD1-CE1 3.98Å; L502-Y541 HydrophobicContact CD1-CE2 4.47Å; L502-Y541 HydrophobicContact CD1-CG 3.69Å; L502-Y541 HydrophobicContact CD2-CD2 3.91Å; L502-Y541 HydrophobicContact CD2-CG 3.77Å; L502-Y541 HydrophobicContact CG-CD1 4.02Å; L502-Y541 HydrophobicContact CG-CD2 3.61Å; L502-Y541 HydrophobicContact CG-CE1 4.39Å; L502-Y541 HydrophobicContact CG-CE2 4.01Å; L502-Y541 HydrophobicContact CG-CG 3.61Å; L502-Y541 PolarHBondContact O-OH 3.23Å; T506-Y541 HydrophobicContact CG2-CE2 3.96Å; T506-Y541 WeakPolarHBondContact CG2-OH 3.21Å; T506-Y541 PolarHBondContact N-OH 3.46Å; R537-Y541 WeakPolarHBondContact O-CB 3.35Å; R537-Y541 PolarHBondContact O-N 2.83Å; L538-Y541 PolarHBondContact O-N 3.01Å; L539-Y541 VanDerWaalsContact C-N 3.26Å; L539-Y541 PolarHBondContact O-N 3.07Å; Y541-N544 PolarHBondContact O-N 2.93Å; Y541-N545 WeakPolarHBondContact O-CB 3.21Å; Y541-N545 PolarHBondContact O-N 2.7Å; Y541-N545 PolarHBondContact O-ND2 3.47Å; Y541-L552 HydrophobicContact CD1-CD2 3.92Å; Y541-L552 HydrophobicContact CE1-CD2 3.83Å
542I88Confident84.1Confident0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-64.2-43.1179.5-68.6164.8000110.4L538 L539 N544 N545 S549 L552 A553 W556 L595 L609L538-I542 HydrophobicContact CD1-CD1 4.3Å; L538-I542 HydrophobicContact CG-CD1 4.03Å; L538-I542 VanDerWaalsContact O-CG1 3.26Å; L538-I542 WeakPolarHBondContact O-CG1 3.46Å; L538-I542 PolarHBondContact O-N 3.37Å; L539-I542 PolarHBondContact O-N 3.19Å; L539-I542 VanDerWaalsContact O-N 3.1Å; I542-N544 VanDerWaalsContact C-N 3.33Å; I542-N544 PolarHBondContact O-N 3.1Å; I542-N545 CarbonylContact O-C 3.6Å; I542-N545 PolarHBondContact O-N 3.28Å; I542-S549 PolarHBondContact O-OG 3.48Å; I542-L552 HydrophobicContact CG1-CD2 4.21Å; I542-A553 HydrophobicContact CD1-CB 4.29Å; I542-A553 HydrophobicContact CG2-CB 4.22Å; I542-W556 HydrophobicContact CD1-CE3 3.64Å; I542-W556 HydrophobicContact CD1-CZ3 3.84Å; I542-L595 HydrophobicContact CB-CD1 4.24Å; I542-L595 HydrophobicContact CD1-CD1 4.12Å; I542-L595 HydrophobicContact CG2-CD1 3.72Å; I542-L609 HydrophobicContact CG2-CD2 4.11Å
543W87.9Confident84.8Confident65 Ų6547 Ų4725%0.24623%0.225CC..Hα-helixtrans-65.9-34.3177.2-62.3-29000112.8L539 E594 L595 R606L539-W543 HydrophobicContact CB-CD2 4.47Å; L539-W543 HydrophobicContact CB-CE3 4.39Å; L539-W543 HydrophobicContact CB-CH2 3.92Å; L539-W543 HydrophobicContact CB-CZ2 4Å; L539-W543 HydrophobicContact CB-CZ3 4.12Å; L539-W543 HydrophobicContact CD1-CH2 4.26Å; L539-W543 HydrophobicContact CD1-CZ2 4.41Å; L539-W543 HydrophobicContact CD2-CZ2 3.96Å; L539-W543 HydrophobicContact CG-CH2 4.46Å; L539-W543 HydrophobicContact CG-CZ2 4.33Å; L539-W543 VanDerWaalsContact O-CG 3.32Å; L539-W543 PolarHBondContact O-N 3.32Å; W543-E594 WeakPolarHBondContact CZ2-O 3.29Å; W543-L595 PolarHBondContact NE1-O 2.86Å; W543-L595 VanDerWaalsContact NE1-O 3.13Å; W543-R606 PolarHBondContact O-NE 3.28Å; W543-R606 PolarHBondContact O-NH2 3.37Å
544N86.3Confident85.3Confident90 Ų9044.3 Ų44.348%0.48121%0.214SC..Hα-helixtrans-81.4-21.3179.3-70.6-24.9000113.7E540 Y541 I542 P546E540-N544 WeakPolarHBondContact O-CB 3.5Å; E540-N544 PolarHBondContact O-N 3.47Å; E540-N544 PolarHBondContact O-ND2 3.05Å; E540-N544 VanDerWaalsContact O-ND2 3.14Å; Y541-N544 PolarHBondContact O-N 2.93Å; I542-N544 VanDerWaalsContact C-N 3.33Å; I542-N544 PolarHBondContact O-N 3.1Å; N544-P546 VanDerWaalsContact C-CD 3.44Å
545N85.5Confident85.4Confident56 Ų5648.5 Ų48.530%0.29924%0.235SC..  trans-128.958.3-176.3-60.6-79.8000113.3Y541 I542 K547 T548 S549Y541-N545 WeakPolarHBondContact O-CB 3.21Å; Y541-N545 PolarHBondContact O-N 2.7Å; Y541-N545 PolarHBondContact O-ND2 3.47Å; I542-N545 CarbonylContact O-C 3.6Å; I542-N545 PolarHBondContact O-N 3.28Å; N545-K547 VanDerWaalsContact C-N 3.3Å; N545-K547 PolarHBondContact O-N 3.14Å; N545-T548 PolarHBondContact O-N 2.68Å; N545-T548 PolarHBondContact O-OG1 3.36Å; N545-S549 VanDerWaalsContact O-CB 3.24Å; N545-S549 WeakPolarHBondContact O-CB 3.47Å; N545-S549 PolarHBondContact O-N 3Å; N545-S549 PolarHBondContact O-OG 3.32Å
546P83.2Confident85.6Confident17 Ų1746.2 Ų46.211%0.1123%0.225CC..THydrogen-bonded Turntrans-62.6-30.9-170.723.8-35.3000114.7N544 T548 S549 D605 R606 L609N544-P546 VanDerWaalsContact C-CD 3.44Å; P546-T548 VanDerWaalsContact C-N 3.32Å; P546-T548 PolarHBondContact O-N 2.82Å; P546-S549 WeakPolarHBondContact CA-OG 3.24Å; P546-S549 PolarHBondContact O-OG 3.29Å; P546-D605 HydrophobicContact CB-CB 4.36Å; P546-D605 WeakPolarHBondContact CB-O 3.07Å; P546-D605 HydrophobicContact CG-CB 3.61Å; P546-R606 HydrophobicContact CB-CG 4.4Å; P546-R606 HydrophobicContact CG-CG 4.14Å; P546-L609 HydrophobicContact CB-CB 4Å; P546-L609 HydrophobicContact CB-CD2 3.78Å
547K79.9Confident85.7Confident158 Ų15842.1 Ų42.169%0.68720%0.203SC*.THydrogen-bonded Turntrans-66.1-32.8-176.7-70.5-179.1174.8146.50113.7N545 D605N545-K547 VanDerWaalsContact C-N 3.3Å; N545-K547 PolarHBondContact O-N 3.14Å; K547-D605 WeakPolarHBondContact CE-OD1 3.47Å; K547-D605 WeakPolarHBondContact CE-OD2 3.32Å; K547-D605 IonicContact NZ-OD1 2.76Å; K547-D605 PolarHBondContact NZ-OD1 2.85Å; K547-D605 IonicContact NZ-OD2 3.1Å; K547-D605 PolarHBondContact NZ-OD2 3.35Å
548T80.8Confident85.8Confident61 Ų6140.9 Ų40.937%0.37420%0.199SC..THydrogen-bonded Turntrans-107.8-5.3-174.251.50000112.8N545 P546N545-T548 PolarHBondContact O-N 2.68Å; N545-T548 PolarHBondContact O-OG1 3.36Å; P546-T548 VanDerWaalsContact C-N 3.32Å; P546-T548 PolarHBondContact O-N 2.82Å
549S84.5Confident85.5Confident0 Ų044.3 Ų44.30%021%0.212CC..  trans-97.81.8-170.761.70000114.7I542 N545 P546 D551 L552 A553 L609I542-S549 PolarHBondContact O-OG 3.48Å; N545-S549 VanDerWaalsContact O-CB 3.24Å; N545-S549 WeakPolarHBondContact O-CB 3.47Å; N545-S549 PolarHBondContact O-N 3Å; N545-S549 PolarHBondContact O-OG 3.32Å; P546-S549 WeakPolarHBondContact CA-OG 3.24Å; P546-S549 PolarHBondContact O-OG 3.29Å; S549-D551 PolarHBondContact O-N 3.44Å; S549-L552 PolarHBondContact O-N 3.41Å; S549-A553 VanDerWaalsContact O-CB 3.24Å; S549-A553 WeakPolarHBondContact O-CB 3.46Å; S549-A553 PolarHBondContact O-N 2.99Å; S549-L609 VanDerWaalsContact OG-CD2 3.27Å; S549-L609 WeakPolarHBondContact OG-CD2 3.26Å
550L83.4Confident85.2Confident31 Ų3144.7 Ų44.716%0.16222%0.215CC..Hα-helixtrans-56.1-53.2-178.9-179.267000112.7L552 A553 A554 L609 R612L550-L552 VanDerWaalsContact C-N 3.3Å; L550-L552 PolarHBondContact O-N 2.98Å; L550-A553 PolarHBondContact O-N 3.17Å; L550-A554 VanDerWaalsContact O-CB 3.28Å; L550-A554 WeakPolarHBondContact O-CB 3.5Å; L550-A554 PolarHBondContact O-N 2.65Å; L550-L609 HydrophobicContact CB-CD1 3.89Å; L550-L609 HydrophobicContact CD1-CD1 3.65Å; L550-L609 HydrophobicContact CG-CD1 4.39Å; L550-R612 HydrophobicContact CD1-CB 4.03Å
551D83.9Confident85.1Confident74 Ų7443 Ų4340%0.39621%0.206SC..Hα-helixtrans-65.6-36.7-178.1-61.2-22.8000111.8V510 I519 S549 M555V510-D551 WeakPolarHBondContact CG1-OD2 3.31Å; I519-D551 HydrophobicContact CD1-CB 3.9Å; S549-D551 PolarHBondContact O-N 3.44Å; D551-M555 WeakPolarHBondContact O-CB 3.27Å; D551-M555 PolarHBondContact O-N 3.2Å
552L86.2Confident84.6Confident1 Ų144 Ų441%0.00521%0.214CC..Hα-helixtrans-65-48.5176.8-179.863.7000111.1L502 I519 L522 V523 L538 Y541 I542 S549 L550 W556L502-L552 HydrophobicContact CD1-CD2 4.32Å; I519-L552 HydrophobicContact CB-CD1 4.36Å; I519-L552 HydrophobicContact CG1-CD1 4.21Å; I519-L552 HydrophobicContact CG2-CD1 3.98Å; L522-L552 HydrophobicContact CB-CD1 4.24Å; L522-L552 HydrophobicContact CD1-CD1 4.15Å; V523-L552 HydrophobicContact CG2-CD1 4.21Å; L538-L552 HydrophobicContact CD1-CD1 4.2Å; L538-L552 HydrophobicContact CD1-CD2 3.77Å; L538-L552 HydrophobicContact CD1-CG 4.12Å; Y541-L552 HydrophobicContact CD1-CD2 3.92Å; Y541-L552 HydrophobicContact CE1-CD2 3.83Å; I542-L552 HydrophobicContact CG1-CD2 4.21Å; S549-L552 PolarHBondContact O-N 3.41Å; L550-L552 VanDerWaalsContact C-N 3.3Å; L550-L552 PolarHBondContact O-N 2.98Å; L552-W556 WeakPolarHBondContact O-CB 3.17Å; L552-W556 PolarHBondContact O-N 3.13Å
553A87.9Confident84Confident0 Ų046.4 Ų46.40%023%0.226CC..Hα-helixtrans-64.2-46.3178.200000111.7I542 S549 L550 W556 I557 L595 L613I542-A553 HydrophobicContact CD1-CB 4.29Å; I542-A553 HydrophobicContact CG2-CB 4.22Å; S549-A553 VanDerWaalsContact O-CB 3.24Å; S549-A553 WeakPolarHBondContact O-CB 3.46Å; S549-A553 PolarHBondContact O-N 2.99Å; L550-A553 PolarHBondContact O-N 3.17Å; A553-W556 PolarHBondContact O-N 3.23Å; A553-I557 WeakPolarHBondContact O-CG1 3.3Å; A553-I557 PolarHBondContact O-N 2.69Å; A553-L595 HydrophobicContact CB-CD2 4.15Å; A553-L613 HydrophobicContact CB-CD1 3.85Å; A553-L613 HydrophobicContact CB-CD2 4.33Å
554A88.2Confident83.3Confident15 Ų1547.1 Ų47.112%0.12424%0.235CC..Hα-helixtrans-60.6-51177.600000110.6L550 W556 I557 Y558 L613L550-A554 VanDerWaalsContact O-CB 3.28Å; L550-A554 WeakPolarHBondContact O-CB 3.5Å; L550-A554 PolarHBondContact O-N 2.65Å; A554-W556 VanDerWaalsContact C-N 3.27Å; A554-W556 PolarHBondContact O-N 3Å; A554-I557 PolarHBondContact O-N 2.6Å; A554-Y558 WeakPolarHBondContact O-CD2 3.34Å; A554-Y558 PolarHBondContact O-N 3.45Å; A554-L613 HydrophobicContact CB-CD1 4.35Å
555M84.7Confident82.7Confident88 Ų8847.9 Ų47.943%0.43323%0.234SC..Hα-helixtrans-61.5-36.6179.3-171.859.9177.100112.1I519 V523 D551 Y558 R559I519-M555 HydrophobicContact CG2-CB 3.63Å; I519-M555 HydrophobicContact CG2-CG 3.78Å; V523-M555 HydrophobicContact CG2-CB 4.4Å; V523-M555 HydrophobicContact CG2-CG 4.29Å; D551-M555 WeakPolarHBondContact O-CB 3.27Å; D551-M555 PolarHBondContact O-N 3.2Å; M555-Y558 PolarHBondContact O-N 3.33Å; M555-R559 WeakPolarHBondContact O-CB 3.37Å; M555-R559 PolarHBondContact O-N 3.13Å
556W86.7Confident81.7Confident5 Ų548 Ų482%0.01925%0.249CC..Hα-helixtrans-64.6-45.6176.1-169.517.9000112.6V523 A526 K535 L538 L539 I542 L552 A553 A554 R559 A560V523-W556 HydrophobicContact CG1-CB 4.5Å; V523-W556 HydrophobicContact CG2-CB 3.89Å; V523-W556 HydrophobicContact CG2-CG 4.43Å; A526-W556 HydrophobicContact CB-CZ2 4.35Å; K535-W556 HydrophobicContact CB-CH2 4.44Å; K535-W556 HydrophobicContact CB-CZ2 4.16Å; K535-W556 HydrophobicContact CD-CZ2 4.43Å; K535-W556 HydrophobicContact CG-CH2 3.82Å; K535-W556 HydrophobicContact CG-CZ2 3.73Å; L538-W556 HydrophobicContact CB-CH2 3.94Å; L538-W556 HydrophobicContact CB-CZ3 4.02Å; L538-W556 HydrophobicContact CD2-CD2 3.53Å; L538-W556 HydrophobicContact CD2-CE3 3.56Å; L538-W556 HydrophobicContact CD2-CG 4.1Å; L538-W556 HydrophobicContact CD2-CH2 3.87Å; L538-W556 HydrophobicContact CD2-CZ2 3.89Å; L538-W556 HydrophobicContact CD2-CZ3 3.73Å; L538-W556 HydrophobicContact CG-CD2 4.34Å; L538-W556 HydrophobicContact CG-CE3 3.85Å; L538-W556 HydrophobicContact CG-CH2 4Å; L538-W556 HydrophobicContact CG-CZ3 3.66Å; L539-W556 HydrophobicContact CD2-CH2 3.96Å; L539-W556 HydrophobicContact CD2-CZ3 3.69Å; L539-W556 HydrophobicContact CG-CH2 3.78Å; L539-W556 HydrophobicContact CG-CZ3 3.92Å; I542-W556 HydrophobicContact CD1-CE3 3.64Å; I542-W556 HydrophobicContact CD1-CZ3 3.84Å; L552-W556 WeakPolarHBondContact O-CB 3.17Å; L552-W556 PolarHBondContact O-N 3.13Å; A553-W556 PolarHBondContact O-N 3.23Å; A554-W556 VanDerWaalsContact C-N 3.27Å; A554-W556 PolarHBondContact O-N 3Å; W556-R559 WeakPolarHBondContact O-CB 3.44Å; W556-R559 PolarHBondContact O-N 2.9Å; W556-A560 PolarHBondContact O-N 2.89Å
557I88.1Confident80.6Confident1 Ų153.1 Ų53.11%0.00528%0.275CS..Hα-helixtrans-64.8-41176.9-70.9164.1000111.2A553 A554 R559 A560 Y561 Y588 L592 L595 L613 I617A553-I557 WeakPolarHBondContact O-CG1 3.3Å; A553-I557 PolarHBondContact O-N 2.69Å; A554-I557 PolarHBondContact O-N 2.6Å; I557-R559 VanDerWaalsContact C-N 3.28Å; I557-R559 PolarHBondContact O-N 3.26Å; I557-A560 PolarHBondContact O-N 2.88Å; I557-Y561 WeakPolarHBondContact O-CB 3.4Å; I557-Y561 PolarHBondContact O-N 3.48Å; I557-Y588 HydrophobicContact CG2-CD2 4.22Å; I557-Y588 HydrophobicContact CG2-CE2 3.39Å; I557-L592 HydrophobicContact CD1-CD1 3.84Å; I557-L592 HydrophobicContact CG1-CD1 4.34Å; I557-L592 HydrophobicContact CG2-CD1 4.27Å; I557-L595 HydrophobicContact CD1-CD2 3.5Å; I557-L595 HydrophobicContact CG1-CD2 3.88Å; I557-L613 HydrophobicContact CD1-CD1 3.62Å; I557-L613 HydrophobicContact CD1-CD2 3.61Å; I557-L613 HydrophobicContact CD1-CG 3.68Å; I557-I617 HydrophobicContact CD1-CG2 3.89Å; I557-I617 HydrophobicContact CG2-CB 4.27Å; I557-I617 HydrophobicContact CG2-CG2 3.81Å
558Y86.2Confident79.5Confident91 Ų9147.2 Ų47.236%0.35725%0.252SS..Hα-helixtrans-60.7-40.1173.1-89-72.8000111.6A554 M555 Y561 T562 E616 P618A554-Y558 WeakPolarHBondContact O-CD2 3.34Å; A554-Y558 PolarHBondContact O-N 3.45Å; M555-Y558 PolarHBondContact O-N 3.33Å; Y558-Y561 WeakPolarHBondContact O-CB 3.31Å; Y558-Y561 PolarHBondContact O-N 3.35Å; Y558-T562 WeakPolarHBondContact O-CG2 3.42Å; Y558-T562 PolarHBondContact O-N 2.94Å; Y558-T562 PolarHBondContact O-OG1 3.49Å; Y558-E616 PolarHBondContact OH-O 3.18Å; Y558-P618 HydrophobicContact CD1-CB 4.14Å; Y558-P618 HydrophobicContact CD1-CG 4.05Å; Y558-P618 HydrophobicContact CE1-CB 3.79Å; Y558-P618 HydrophobicContact CE1-CG 4.11Å
559R81.9Confident77.8Confident73 Ų7352.8 Ų52.828%0.27528%0.279SS..Hα-helixtrans-63.1-51.2175.2179.566.3-164-163.52.5111.3V523 M555 W556 I557 Y561 T562 D563 T568V523-R559 HydrophobicContact CG1-CB 3.36Å; V523-R559 HydrophobicContact CG1-CG 3.59Å; M555-R559 WeakPolarHBondContact O-CB 3.37Å; M555-R559 PolarHBondContact O-N 3.13Å; W556-R559 WeakPolarHBondContact O-CB 3.44Å; W556-R559 PolarHBondContact O-N 2.9Å; I557-R559 VanDerWaalsContact C-N 3.28Å; I557-R559 PolarHBondContact O-N 3.26Å; R559-Y561 PolarHBondContact O-N 3.44Å; R559-T562 WeakPolarHBondContact CA-OG1 3.21Å; R559-T562 PolarHBondContact O-N 2.99Å; R559-T562 PolarHBondContact O-OG1 3.4Å; R559-D563 WeakPolarHBondContact CG-OD2 3.28Å; R559-D563 IonicContact CZ-OD1 3Å; R559-D563 IonicContact NE-OD1 3.42Å; R559-D563 PolarHBondContact NE-OD1 3.31Å; R559-D563 IonicContact NE-OD2 3.74Å; R559-D563 PolarHBondContact NE-OD2 3.37Å; R559-D563 IonicContact NH2-OD1 2.66Å; R559-D563 PolarHBondContact NH2-OD1 2.97Å; R559-D563 VanDerWaalsContact O-CG 3.28Å; R559-D563 PolarHBondContact O-N 3.19Å; R559-T568 VanDerWaalsContact NH1-CG2 3.34Å
560A82.2Confident76Confident10 Ų1054.6 Ų54.68%0.08330%0.298CS..Hα-helixtrans-56.6-37.4176.600000112W556 I557 D564 C591W556-A560 PolarHBondContact O-N 2.89Å; I557-A560 PolarHBondContact O-N 2.88Å; A560-D564 WeakPolarHBondContact O-CB 3.45Å; A560-D564 PolarHBondContact O-N 3.24Å; A560-C591 HydrophobicContact CB-CB 4.1Å
561Y83.3Confident73.9Confident51 Ų5158.6 Ų58.620%0.233%0.325CS..Hα-helixtrans-64-46.3173.3178.3-102.8000112.5I557 Y558 R559 D563 D564 K565 Y588 P618 I619I557-Y561 WeakPolarHBondContact O-CB 3.4Å; I557-Y561 PolarHBondContact O-N 3.48Å; Y558-Y561 WeakPolarHBondContact O-CB 3.31Å; Y558-Y561 PolarHBondContact O-N 3.35Å; R559-Y561 PolarHBondContact O-N 3.44Å; Y561-D563 VanDerWaalsContact C-N 3.33Å; Y561-D564 PolarHBondContact O-N 2.95Å; Y561-K565 HydrophobicContact CD1-CG 4.48Å; Y561-K565 HydrophobicContact CD2-CG 4.43Å; Y561-K565 HydrophobicContact CE1-CG 3.99Å; Y561-K565 HydrophobicContact CE2-CD 4.4Å; Y561-K565 HydrophobicContact CE2-CG 3.93Å; Y561-K565 WeakPolarHBondContact O-CG 3.47Å; Y561-K565 PolarHBondContact O-N 3.02Å; Y561-Y588 VanDerWaalsContact CB-CD2 3.46Å; Y561-Y588 HydrophobicContact CD2-CD1 4.34Å; Y561-Y588 HydrophobicContact CD2-CD2 4.06Å; Y561-Y588 HydrophobicContact CD2-CE1 4.45Å; Y561-Y588 HydrophobicContact CD2-CE2 4.13Å; Y561-Y588 HydrophobicContact CD2-CG 4.13Å; Y561-Y588 HydrophobicContact CG-CD2 4.27Å; Y561-Y588 HydrophobicContact CG-CE2 4.32Å; Y561-P618 HydrophobicContact CD1-CB 3.93Å; Y561-P618 HydrophobicContact CD1-CG 3.97Å; Y561-P618 HydrophobicContact CD2-CB 4.17Å; Y561-P618 HydrophobicContact CD2-CG 3.87Å; Y561-P618 HydrophobicContact CE1-CB 4.2Å; Y561-P618 HydrophobicContact CE2-CB 4.43Å; Y561-P618 HydrophobicContact CG-CB 3.92Å; Y561-P618 HydrophobicContact CG-CG 3.52Å; Y561-I619 HydrophobicContact CE2-CD1 3.5Å; Y561-I619 HydrophobicContact CE2-CG1 3.76Å
562T78.8Confident71.6Confident38 Ų3858.4 Ų58.423%0.23333%0.334CS..Hα-helixtrans-68.6-33.5179.355.50000112.7Y558 R559 K565 G566 L567 T568Y558-T562 WeakPolarHBondContact O-CG2 3.42Å; Y558-T562 PolarHBondContact O-N 2.94Å; Y558-T562 PolarHBondContact O-OG1 3.49Å; R559-T562 WeakPolarHBondContact CA-OG1 3.21Å; R559-T562 PolarHBondContact O-N 2.99Å; R559-T562 PolarHBondContact O-OG1 3.4Å; T562-K565 PolarHBondContact O-N 2.96Å; T562-G566 PolarHBondContact O-N 3.17Å; T562-G566 VanDerWaalsContact O-N 3.12Å; T562-L567 HydrophobicContact CG2-CD1 4.46Å; T562-L567 PolarHBondContact O-N 3.48Å; T562-T568 VanDerWaalsContact OG1-CG2 3.27Å; T562-T568 WeakPolarHBondContact OG1-CG2 3.47Å
563D73.7Confident69.3Low49 Ų4964.9 Ų64.926%0.26237%0.368SS..Hα-helixtrans-65.7-44173.2-64.7-36.4000110R559 Y561 K565 G566 T568R559-D563 WeakPolarHBondContact CG-OD2 3.28Å; R559-D563 IonicContact CZ-OD1 3Å; R559-D563 IonicContact NE-OD1 3.42Å; R559-D563 PolarHBondContact NE-OD1 3.31Å; R559-D563 IonicContact NE-OD2 3.74Å; R559-D563 PolarHBondContact NE-OD2 3.37Å; R559-D563 IonicContact NH2-OD1 2.66Å; R559-D563 PolarHBondContact NH2-OD1 2.97Å; R559-D563 VanDerWaalsContact O-CG 3.28Å; R559-D563 PolarHBondContact O-N 3.19Å; Y561-D563 VanDerWaalsContact C-N 3.33Å; D563-K565 PolarHBondContact O-N 2.99Å; D563-G566 PolarHBondContact O-N 3.41Å; D563-G566 VanDerWaalsContact O-N 3.14Å; D563-T568 WeakPolarHBondContact CA-OG1 3.32Å; D563-T568 WeakPolarHBondContact OD1-CB 3.21Å; D563-T568 WeakPolarHBondContact OD1-CG2 3.45Å; D563-T568 PolarHBondContact OD1-OG1 3.48Å
564D73.2Confident66.8Low81 Ų8172.9 Ų72.943%0.43341%0.405SS..Hα-helixtrans-61.1-40.5174.4-178.673.8000112.7A560 Y561 G566A560-D564 WeakPolarHBondContact O-CB 3.45Å; A560-D564 PolarHBondContact O-N 3.24Å; Y561-D564 PolarHBondContact O-N 2.95Å; D564-G566 PolarHBondContact O-N 2.96Å
565K73.7Confident64.5Low105 Ų10576.8 Ų76.846%0.45742%0.424SS..THydrogen-bonded Turntrans-79.6-0.1176.8-62.5-57.2170.3-125.30114.4Y561 T562 D563 L567Y561-K565 HydrophobicContact CD1-CG 4.48Å; Y561-K565 HydrophobicContact CD2-CG 4.43Å; Y561-K565 HydrophobicContact CE1-CG 3.99Å; Y561-K565 HydrophobicContact CE2-CD 4.4Å; Y561-K565 HydrophobicContact CE2-CG 3.93Å; Y561-K565 WeakPolarHBondContact O-CG 3.47Å; Y561-K565 PolarHBondContact O-N 3.02Å; T562-K565 PolarHBondContact O-N 2.96Å; D563-K565 PolarHBondContact O-N 2.99Å; K565-L567 HydrophobicContact CB-CD1 3.85Å; K565-L567 HydrophobicContact CB-CG 4.01Å; K565-L567 PolarHBondContact O-N 3.28Å
566G65.4Low62.4Low60 Ų6077.4 Ų77.462%0.61944%0.435SS*.THydrogen-bonded Turntrans63.621.7-178.900000113.8T562 D563 D564 T568T562-G566 PolarHBondContact O-N 3.17Å; T562-G566 VanDerWaalsContact O-N 3.12Å; D563-G566 PolarHBondContact O-N 3.41Å; D563-G566 VanDerWaalsContact O-N 3.14Å; D564-G566 PolarHBondContact O-N 2.96Å; G566-T568 VanDerWaalsContact C-N 3.26Å
567L60.7Low60.6Low123 Ų12379.7 Ų79.764%0.64446%0.455SS*.  trans-80.4-12.5-179.4-71.2166.7000112.4T562 K565T562-L567 HydrophobicContact CG2-CD1 4.46Å; T562-L567 PolarHBondContact O-N 3.48Å; K565-L567 HydrophobicContact CB-CD1 3.85Å; K565-L567 HydrophobicContact CB-CG 4.01Å; K565-L567 PolarHBondContact O-N 3.28Å
568T56.4Low58.5Low35 Ų3584.3 Ų84.322%0.21548%0.479CS..  trans-98.5107.2-179.551.50000110R559 T562 D563 G566 G570R559-T568 VanDerWaalsContact NH1-CG2 3.34Å; T562-T568 VanDerWaalsContact OG1-CG2 3.27Å; T562-T568 WeakPolarHBondContact OG1-CG2 3.47Å; D563-T568 WeakPolarHBondContact CA-OG1 3.32Å; D563-T568 WeakPolarHBondContact OD1-CB 3.21Å; D563-T568 WeakPolarHBondContact OD1-CG2 3.45Å; D563-T568 PolarHBondContact OD1-OG1 3.48Å; G566-T568 VanDerWaalsContact C-N 3.26Å; T568-G570 PolarHBondContact O-N 3.03Å
569L43.6Very low56.2Low177 Ų17782.5 Ų82.593%0.92749%0.488SS*.  trans-72.172156.4-77.593.7000108.2
570G48Very low53.9Low39 Ų3986.5 Ų86.540%0.40252%0.515SS..  trans-68.5135166.300000108.2T568 A572T568-G570 PolarHBondContact O-N 3.03Å; G570-A572 PolarHBondContact O-N 3.35Å
571P38.9Very low51.4Low114 Ų11494.5 Ų94.574%0.7455%0.551SS**  trans-56.9124.1169.125.7-29.9000105.8L573P571-L573 PolarHBondContact O-N 3.42Å
572A35.5Very low49.1Very low70 Ų7098.3 Ų98.358%0.57958%0.579SS**  trans-54.289.3165.500000107G570 E574G570-A572 PolarHBondContact O-N 3.35Å; A572-E574 HydrophobicContact CB-CB 3.95Å; A572-E574 HydrophobicContact CB-CG 3.83Å; A572-E574 PolarHBondContact O-N 3.4Å; A572-E574 VanDerWaalsContact O-N 3.13Å
573L37.1Very low47.1Very low137 Ų137100 Ų10072%0.71759%0.59SS**  trans-71.829.3149.4-69.2171.4000108.7P571 D575P571-L573 PolarHBondContact O-N 3.42Å; L573-D575 PolarHBondContact O-N 2.93Å
574E36.2Very low45.5Very low168 Ų168107.2 Ų107.279%0.78562%0.619SS**  trans-63.861.1146.1-56.5175178.700106.9A572 P576A572-E574 HydrophobicContact CB-CB 3.95Å; A572-E574 HydrophobicContact CB-CG 3.83Å; A572-E574 PolarHBondContact O-N 3.4Å; A572-E574 VanDerWaalsContact O-N 3.13Å; E574-P576 WeakPolarHBondContact O-CD 3.03Å
575D40Very low44.1Very low97 Ų97112.6 Ų112.652%0.51964%0.639SS.*  trans-79.5104.1157.5-152.4-14.8000103.8L573 A577 L578L573-D575 PolarHBondContact O-N 2.93Å; D575-A577 PolarHBondContact O-N 2.99Å; D575-L578 PolarHBondContact O-N 3.49Å
576P41Very low43.1Very low102 Ų102109.9 Ų109.966%0.66264%0.641SS**G310 helixtrans-57.2-10.2-177.520.8-31.9000112.8E574 L578E574-P576 WeakPolarHBondContact O-CD 3.03Å; P576-L578 PolarHBondContact O-N 2.88Å
577A47.6Very low43.4Very low53 Ų53107.8 Ų107.844%0.43862%0.619SS.*G310 helixtrans-66.9-13.2172.800000115.5K487 D575K487-A577 PolarHBondContact NZ-O 2.99Å; D575-A577 PolarHBondContact O-N 2.99Å
578L44.2Very low44.4Very low98 Ų98102.5 Ų102.551%0.51359%0.591SS.*G310 helixtrans-106.53.9-176.2-87.4143.3000115.5L491 D575 P576L491-L578 HydrophobicContact CD2-CD2 4.42Å; D575-L578 PolarHBondContact O-N 3.49Å; P576-L578 PolarHBondContact O-N 2.88Å
579G38.4Very low45.8Very low53 Ų53102.7 Ų102.755%0.54659%0.591SS.*  trans133.8135.8167.500000113.2E581G579-E581 PolarHBondContact O-N 3.13Å
580D34.7Very low47.7Very low157 Ų15797.6 Ų97.684%0.8456%0.564SS**SBendtrans-76.63.9-179-91-23.9000114.2V582D580-V582 PolarHBondContact O-N 3.16Å
581E29.4Very low49.5Very low178 Ų17896.2 Ų96.283%0.83255%0.548SS*.  trans-7795.6173.1-66.6-160.7173.200108.6G579 P583G579-E581 PolarHBondContact O-N 3.13Å; E581-P583 WeakPolarHBondContact O-CD 3.43Å
582V34.6Very low51.9Low131 Ų13190.8 Ų90.879%0.79451%0.513SS*.  trans-46.7107161.6178.70000105.9D580 K584D580-V582 PolarHBondContact O-N 3.16Å; V582-K584 PolarHBondContact O-N 3.12Å
583P36.5Very low54.5Low73 Ų7387.8 Ų87.847%0.47449%0.488SS..  trans-61.1116.3-174.721.4-29.1000105.3E581 K585E581-P583 WeakPolarHBondContact O-CD 3.43Å; P583-K585 VanDerWaalsContact C-N 3.32Å; P583-K585 PolarHBondContact O-N 3.16Å
584K40.4Very low57Low200 Ų20084.4 Ų84.487%0.8747%0.468SS*.  trans-47.9109.6167-71.8178.8-179.7174.60103.7V582 G586V582-K584 PolarHBondContact O-N 3.12Å; K584-G586 PolarHBondContact O-N 3.32Å
585K43.9Very low59.5Low194 Ų19476.4 Ų76.484%0.84343%0.431SS*.  trans-55.195.7179.7-73.1-179.6177.7-178.50105.6P583 G587P583-K585 VanDerWaalsContact C-N 3.32Å; P583-K585 PolarHBondContact O-N 3.16Å; K585-G587 VanDerWaalsContact C-N 3.32Å; K585-G587 PolarHBondContact O-N 2.93Å
586G52.9Low61.9Low48 Ų4871.8 Ų71.850%0.49541%0.406SS..  trans-62.3105.5175.300000103.6K584K584-G586 PolarHBondContact O-N 3.32Å
587G71Confident64.2Low16 Ų1669.7 Ų69.717%0.16539%0.394CS..  trans-59.8161.8-16900000109.6K585 D589 D590 C591K585-G587 VanDerWaalsContact C-N 3.32Å; K585-G587 PolarHBondContact O-N 2.93Å; G587-D589 PolarHBondContact O-N 3.25Å; G587-D590 PolarHBondContact N-OD2 3.25Å; G587-D590 PolarHBondContact O-N 2.75Å; G587-C591 PolarHBondContact O-N 3.34Å; G587-C591 VanDerWaalsContact O-N 3.16Å
588Y83Confident66.1Low12 Ų1268.2 Ų68.25%0.04738%0.384CS..Hα-helixtrans-42.2-41.2168.3164.4-104.7000112.3I557 Y561 L592 P618 I619 T621I557-Y588 HydrophobicContact CG2-CD2 4.22Å; I557-Y588 HydrophobicContact CG2-CE2 3.39Å; Y561-Y588 VanDerWaalsContact CB-CD2 3.46Å; Y561-Y588 HydrophobicContact CD2-CD1 4.34Å; Y561-Y588 HydrophobicContact CD2-CD2 4.06Å; Y561-Y588 HydrophobicContact CD2-CE1 4.45Å; Y561-Y588 HydrophobicContact CD2-CE2 4.13Å; Y561-Y588 HydrophobicContact CD2-CG 4.13Å; Y561-Y588 HydrophobicContact CG-CD2 4.27Å; Y561-Y588 HydrophobicContact CG-CE2 4.32Å; Y588-L592 HydrophobicContact CE1-CD2 4.08Å; Y588-L592 WeakPolarHBondContact O-CB 3.37Å; Y588-L592 PolarHBondContact O-N 3.38Å; Y588-P618 HydrophobicContact CE2-CG 3.66Å; Y588-P618 WeakPolarHBondContact OH-CD 3.17Å; Y588-I619 HydrophobicContact CE1-CB 4.33Å; Y588-I619 VanDerWaalsContact CE1-O 3.31Å; Y588-I619 WeakPolarHBondContact CE1-O 3.29Å; Y588-I619 PolarHBondContact OH-N 2.95Å; Y588-I619 PolarHBondContact OH-O 2.89Å; Y588-T621 HydrophobicContact CD1-CG2 3.94Å; Y588-T621 HydrophobicContact CE1-CG2 3.6Å
589D84.3Confident68.2Low40 Ų4063.6 Ų63.621%0.21436%0.36CS..Hα-helixtrans-66.4-38.2179.4-174.357.6000114.1G587 C593 T621 R623G587-D589 PolarHBondContact O-N 3.25Å; D589-C593 VanDerWaalsContact O-CB 3.28Å; D589-C593 WeakPolarHBondContact O-CB 3.38Å; D589-C593 PolarHBondContact O-N 3.44Å; D589-C593 PolarHBondContact O-SG 2.87Å; D589-T621 HydrophobicContact CB-CG2 4.18Å; D589-T621 WeakPolarHBondContact OD1-CB 3.22Å; D589-T621 WeakPolarHBondContact OD1-CG2 3.49Å; D589-T621 PolarHBondContact OD1-OG1 3.42Å; D589-R623 WeakPolarHBondContact OD2-CD 3.17Å; D589-R623 IonicContact OD2-CZ 3.65Å; D589-R623 IonicContact OD2-NE 3.48Å; D589-R623 IonicContact OD2-NH1 2.98Å; D589-R623 PolarHBondContact OD2-NH1 2.87Å
590D84.9Confident70.4Confident69 Ų6963.3 Ų63.337%0.36935%0.345SS..Hα-helixtrans-69.8-46.7178.3-67-38.1000110.9G587 L592 C593 E594 R623G587-D590 PolarHBondContact N-OD2 3.25Å; G587-D590 PolarHBondContact O-N 2.75Å; D590-L592 VanDerWaalsContact C-N 3.32Å; D590-L592 PolarHBondContact O-N 3.23Å; D590-C593 PolarHBondContact O-N 3.43Å; D590-E594 WeakPolarHBondContact O-CB 3.5Å; D590-E594 PolarHBondContact O-N 3.24Å; D590-R623 IonicContact OD1-CZ 3.98Å; D590-R623 IonicContact OD1-NH1 2.8Å; D590-R623 PolarHBondContact OD1-NH1 3.21Å; D590-R623 IonicContact OD1-NH2 3.18Å
591C85.5Confident72.6Confident10 Ų1057.3 Ų57.37%0.06832%0.316CS..Hα-helixtrans-59.2-45.2175.6-174.90000111.1A560 G587 L595A560-C591 HydrophobicContact CB-CB 4.1Å; G587-C591 PolarHBondContact O-N 3.34Å; G587-C591 VanDerWaalsContact O-N 3.16Å; C591-L595 VanDerWaalsContact O-CB 3.31Å; C591-L595 WeakPolarHBondContact O-CB 3.4Å; C591-L595 PolarHBondContact O-N 3.25Å; C591-L595 VanDerWaalsContact O-N 3.09Å
592L89.1Confident74.6Confident0 Ų052 Ų520%030%0.302CS..Hα-helixtrans-61.6-51.8177.4178.463.3000111.9I557 Y588 D590 E594 L595 L596 I617 T621 A624I557-L592 HydrophobicContact CD1-CD1 3.84Å; I557-L592 HydrophobicContact CG1-CD1 4.34Å; I557-L592 HydrophobicContact CG2-CD1 4.27Å; Y588-L592 HydrophobicContact CE1-CD2 4.08Å; Y588-L592 WeakPolarHBondContact O-CB 3.37Å; Y588-L592 PolarHBondContact O-N 3.38Å; D590-L592 VanDerWaalsContact C-N 3.32Å; D590-L592 PolarHBondContact O-N 3.23Å; L592-E594 PolarHBondContact O-N 2.97Å; L592-L595 PolarHBondContact O-N 3.37Å; L592-L596 HydrophobicContact CD1-CD1 3.72Å; L592-L596 HydrophobicContact CD1-CG 3.95Å; L592-L596 HydrophobicContact CD2-CD1 4.46Å; L592-L596 HydrophobicContact CG-CD1 3.76Å; L592-L596 HydrophobicContact CG-CG 4.33Å; L592-L596 VanDerWaalsContact O-CB 3.3Å; L592-L596 WeakPolarHBondContact O-CB 3.32Å; L592-L596 WeakPolarHBondContact O-CG 3.4Å; L592-L596 PolarHBondContact O-N 2.89Å; L592-I617 HydrophobicContact CD1-CD1 4.16Å; L592-I617 HydrophobicContact CD1-CG2 3.8Å; L592-I617 HydrophobicContact CD2-CD1 3.88Å; L592-T621 HydrophobicContact CD2-CG2 4.13Å; L592-A624 HydrophobicContact CD2-CB 3.98Å
593C89.5Confident76.5Confident8 Ų850.4 Ų50.45%0.05429%0.286CS..Hα-helixtrans-68.2-36-175.3-70.70000112.8D589 D590 S597 R623 L627D589-C593 VanDerWaalsContact O-CB 3.28Å; D589-C593 WeakPolarHBondContact O-CB 3.38Å; D589-C593 PolarHBondContact O-N 3.44Å; D589-C593 PolarHBondContact O-SG 2.87Å; D590-C593 PolarHBondContact O-N 3.43Å; C593-S597 VanDerWaalsContact O-CB 3.27Å; C593-S597 WeakPolarHBondContact O-CB 3.41Å; C593-S597 PolarHBondContact O-N 3.48Å; C593-S597 PolarHBondContact O-OG 2.91Å; C593-R623 WeakPolarHBondContact SG-CB 3.43Å; C593-L627 HydrophobicContact CB-CD1 4.03Å
594E89Confident78.4Confident66 Ų6652.9 Ų52.931%0.30830%0.296SS..Hα-helixtrans-66.1-43.8175.4-172.1174.9-171.800111.3K535 L539 W543 D590 L592 S597 G598K535-E594 WeakPolarHBondContact CE-OE2 3.27Å; K535-E594 IonicContact NZ-OE1 2.72Å; K535-E594 IonicContact NZ-OE2 3.19Å; K535-E594 PolarHBondContact NZ-OE2 3.43Å; L539-E594 HydrophobicContact CD1-CG 3.84Å; L539-E594 WeakPolarHBondContact CD1-OE1 3.24Å; W543-E594 WeakPolarHBondContact CZ2-O 3.29Å; D590-E594 WeakPolarHBondContact O-CB 3.5Å; D590-E594 PolarHBondContact O-N 3.24Å; L592-E594 PolarHBondContact O-N 2.97Å; E594-S597 PolarHBondContact O-OG 3.33Å; E594-G598 PolarHBondContact O-N 2.95Å
595L89.7Confident80.4Confident0 Ų046.5 Ų46.50%027%0.271CS..Hα-helixtrans-64-46.4175.4177.461.6000112L539 I542 W543 A553 I557 C591 L592 L599 L613L539-L595 HydrophobicContact CD2-CB 4.01Å; L539-L595 HydrophobicContact CD2-CD1 3.87Å; I542-L595 HydrophobicContact CB-CD1 4.24Å; I542-L595 HydrophobicContact CD1-CD1 4.12Å; I542-L595 HydrophobicContact CG2-CD1 3.72Å; W543-L595 PolarHBondContact NE1-O 2.86Å; W543-L595 VanDerWaalsContact NE1-O 3.13Å; A553-L595 HydrophobicContact CB-CD2 4.15Å; I557-L595 HydrophobicContact CD1-CD2 3.5Å; I557-L595 HydrophobicContact CG1-CD2 3.88Å; C591-L595 VanDerWaalsContact O-CB 3.31Å; C591-L595 WeakPolarHBondContact O-CB 3.4Å; C591-L595 PolarHBondContact O-N 3.25Å; C591-L595 VanDerWaalsContact O-N 3.09Å; L592-L595 PolarHBondContact O-N 3.37Å; L595-L599 HydrophobicContact CD1-CD1 4.42Å; L595-L599 HydrophobicContact CG-CD1 4.38Å; L595-L599 WeakPolarHBondContact O-CG 3.41Å; L595-L599 PolarHBondContact O-N 3.39Å; L595-L613 HydrophobicContact CD2-CD2 3.73Å; L595-L613 HydrophobicContact CG-CD2 4.16Å
596L91.3Very high82.4Confident0 Ų039.4 Ų39.40%024%0.239CC..Hα-helixtrans-65.1-39-179.4-75.2179.1000112.5L592 G598 L599 L600 F610 L613 L614 A624 L627L592-L596 HydrophobicContact CD1-CD1 3.72Å; L592-L596 HydrophobicContact CD1-CG 3.95Å; L592-L596 HydrophobicContact CD2-CD1 4.46Å; L592-L596 HydrophobicContact CG-CD1 3.76Å; L592-L596 HydrophobicContact CG-CG 4.33Å; L592-L596 VanDerWaalsContact O-CB 3.3Å; L592-L596 WeakPolarHBondContact O-CB 3.32Å; L592-L596 WeakPolarHBondContact O-CG 3.4Å; L592-L596 PolarHBondContact O-N 2.89Å; L596-G598 PolarHBondContact O-N 2.99Å; L596-L599 PolarHBondContact O-N 3.48Å; L596-L599 VanDerWaalsContact O-N 3.16Å; L596-L600 PolarHBondContact O-N 3.39Å; L596-F610 HydrophobicContact CB-CD2 4.09Å; L596-F610 HydrophobicContact CB-CE2 3.83Å; L596-F610 HydrophobicContact CD1-CE2 4.49Å; L596-F610 HydrophobicContact CD2-CD2 3.54Å; L596-F610 HydrophobicContact CD2-CE2 3.73Å; L596-F610 HydrophobicContact CD2-CG 4.34Å; L596-F610 HydrophobicContact CG-CD2 4.37Å; L596-F610 HydrophobicContact CG-CE2 4.21Å; L596-F610 WeakPolarHBondContact O-CD2 3.41Å; L596-L613 HydrophobicContact CD2-CD2 4.08Å; L596-L614 HydrophobicContact CD1-CD2 3.69Å; L596-L614 HydrophobicContact CD2-CD2 4.11Å; L596-L614 HydrophobicContact CD2-CG 4.13Å; L596-A624 HydrophobicContact CD1-CB 3.78Å; L596-L627 HydrophobicContact CB-CD1 4.07Å
597S88.7Confident84Confident57 Ų5737.2 Ų37.240%0.39922%0.216SC..Hα-helixtrans-64.3-39.1-178.565.60000112.5C593 E594 L599 L600C593-S597 VanDerWaalsContact O-CB 3.27Å; C593-S597 WeakPolarHBondContact O-CB 3.41Å; C593-S597 PolarHBondContact O-N 3.48Å; C593-S597 PolarHBondContact O-OG 2.91Å; E594-S597 PolarHBondContact O-OG 3.33Å; S597-L599 VanDerWaalsContact C-N 3.29Å; S597-L599 PolarHBondContact O-N 3.41Å; S597-L600 PolarHBondContact O-N 2.68Å
598G86.1Confident84.8Confident23 Ų2339.7 Ų39.724%0.23723%0.228CC..Hα-helixtrans-74.9-16.1175.400000114.5E594 L596E594-G598 PolarHBondContact O-N 2.95Å; L596-G598 PolarHBondContact O-N 2.99Å
599L88.3Confident84.9Confident0 Ų039.4 Ų39.40%023%0.227CC..Hα-helixtrans-85.4-14.6172.3-66.4173.6000113.3L595 L596 S597 S601 R606 L609 F610 L613L595-L599 HydrophobicContact CD1-CD1 4.42Å; L595-L599 HydrophobicContact CG-CD1 4.38Å; L595-L599 WeakPolarHBondContact O-CG 3.41Å; L595-L599 PolarHBondContact O-N 3.39Å; L596-L599 PolarHBondContact O-N 3.48Å; L596-L599 VanDerWaalsContact O-N 3.16Å; S597-L599 VanDerWaalsContact C-N 3.29Å; S597-L599 PolarHBondContact O-N 3.41Å; L599-S601 VanDerWaalsContact C-N 3.29Å; L599-S601 PolarHBondContact O-N 3.41Å; L599-R606 HydrophobicContact CD2-CB 4.43Å; L599-R606 CarbonylContact O-C 3.46Å; L599-R606 WeakPolarHBondContact O-CB 3.46Å; L599-L609 HydrophobicContact CD1-CD2 4.08Å; L599-L609 HydrophobicContact CD1-CG 4.05Å; L599-L609 HydrophobicContact CD2-CD2 3.7Å; L599-L609 HydrophobicContact CD2-CG 4.28Å; L599-F610 HydrophobicContact CB-CB 3.89Å; L599-F610 HydrophobicContact CB-CD2 4.25Å; L599-L613 HydrophobicContact CD1-CD2 3.97Å
600L85.5Confident85.2Confident47 Ų4737.5 Ų37.525%0.24622%0.217CC..  trans-75.381.1173-73.9170.3000110L596 S597 I607 F610 L627 A631L596-L600 PolarHBondContact O-N 3.39Å; S597-L600 PolarHBondContact O-N 2.68Å; L600-I607 HydrophobicContact CD2-CD1 4.16Å; L600-F610 HydrophobicContact CD1-CE2 3.99Å; L600-F610 HydrophobicContact CD1-CZ 4.36Å; L600-F610 HydrophobicContact CD2-CD1 4.23Å; L600-F610 HydrophobicContact CD2-CD2 3.94Å; L600-F610 HydrophobicContact CD2-CE1 3.92Å; L600-F610 HydrophobicContact CD2-CE2 3.59Å; L600-F610 HydrophobicContact CD2-CG 4.25Å; L600-F610 HydrophobicContact CD2-CZ 3.6Å; L600-F610 HydrophobicContact CG-CD2 3.91Å; L600-F610 HydrophobicContact CG-CE2 3.58Å; L600-F610 HydrophobicContact CG-CZ 4.09Å; L600-L627 HydrophobicContact CD1-CB 4.16Å; L600-L627 HydrophobicContact CD1-CD2 4.38Å; L600-A631 HydrophobicContact CD2-CB 3.6Å
601S80.7Confident85.4Confident32 Ų3235 Ų3522%0.22420%0.204CC..SBendtrans-133.5151.6173.5170.80000109.8L599 E603L599-S601 VanDerWaalsContact C-N 3.29Å; L599-S601 PolarHBondContact O-N 3.41Å; S601-E603 PolarHBondContact O-N 2.85Å; S601-E603 VanDerWaalsContact O-N 3.08Å; S601-E603 PolarHBondContact OG-N 2.66Å
602A71.6Confident85.5Confident65 Ų6542 Ų4254%0.53723%0.229SC..SBendtrans-62.4-8.2172.700000113.6N604A602-N604 PolarHBondContact O-N 2.92Å
603E75.1Confident85.5Confident99 Ų9942 Ų4246%0.46323%0.229SC..  trans-66.6113.6170.2-68.5170.4-144.900111.3S601 D605 R606 I607S601-E603 PolarHBondContact O-N 2.85Å; S601-E603 VanDerWaalsContact O-N 3.08Å; S601-E603 PolarHBondContact OG-N 2.66Å; E603-D605 PolarHBondContact O-N 2.81Å; E603-R606 HydrophobicContact CB-CB 4.47Å; E603-R606 HydrophobicContact CB-CG 4.41Å; E603-R606 PolarHBondContact O-N 3.35Å; E603-R606 IonicContact OE1-CZ 3.67Å; E603-R606 IonicContact OE1-NH1 2.69Å; E603-R606 PolarHBondContact OE1-NH1 2.84Å; E603-R606 IonicContact OE2-CZ 2.85Å; E603-R606 IonicContact OE2-NE 2.69Å; E603-R606 PolarHBondContact OE2-NE 2.92Å; E603-R606 IonicContact OE2-NH1 3.33Å; E603-R606 PolarHBondContact OE2-NH1 3.32Å; E603-R606 VanDerWaalsContact OE2-NH1 3.12Å; E603-R606 IonicContact OE2-NH2 3.69Å; E603-I607 PolarHBondContact O-N 2.99Å
604N75.5Confident85.5Confident125 Ų12541.7 Ų41.767%0.66823%0.227SC*.Hα-helixtrans-47.8-37.4-177.1-74-18.5000114.4A602 I607 T608A602-N604 PolarHBondContact O-N 2.92Å; N604-I607 VanDerWaalsContact O-CG2 3.32Å; N604-I607 WeakPolarHBondContact O-CG2 3.28Å; N604-T608 WeakPolarHBondContact O-CB 3.18Å; N604-T608 WeakPolarHBondContact O-CG2 3.37Å; N604-T608 PolarHBondContact O-N 2.76Å; N604-T608 VanDerWaalsContact O-N 3.14Å; N604-T608 PolarHBondContact O-OG1 3.29Å
605D82.9Confident85.4Confident66 Ų6640.6 Ų40.635%0.35322%0.223SC..Hα-helixtrans-72.5-34.1-178-65.1-32.5000112.5P546 K547 E603 T608 L609P546-D605 HydrophobicContact CB-CB 4.36Å; P546-D605 WeakPolarHBondContact CB-O 3.07Å; P546-D605 HydrophobicContact CG-CB 3.61Å; K547-D605 WeakPolarHBondContact CE-OD1 3.47Å; K547-D605 WeakPolarHBondContact CE-OD2 3.32Å; K547-D605 IonicContact NZ-OD1 2.76Å; K547-D605 PolarHBondContact NZ-OD1 2.85Å; K547-D605 IonicContact NZ-OD2 3.1Å; K547-D605 PolarHBondContact NZ-OD2 3.35Å; E603-D605 PolarHBondContact O-N 2.81Å; D605-T608 WeakPolarHBondContact CA-OG1 3.23Å; D605-T608 PolarHBondContact O-OG1 3.3Å; D605-L609 PolarHBondContact O-N 3.38Å
606R86.2Confident85.2Confident44 Ų4445.5 Ų45.517%0.16625%0.246CC..Hα-helixtrans-74.5-44.3178.7-71.6-175.2175.8144.28111.7W543 P546 L599 E603 T608 L609 F610W543-R606 PolarHBondContact O-NE 3.28Å; W543-R606 PolarHBondContact O-NH2 3.37Å; P546-R606 HydrophobicContact CB-CG 4.4Å; P546-R606 HydrophobicContact CG-CG 4.14Å; L599-R606 HydrophobicContact CD2-CB 4.43Å; L599-R606 CarbonylContact O-C 3.46Å; L599-R606 WeakPolarHBondContact O-CB 3.46Å; E603-R606 HydrophobicContact CB-CB 4.47Å; E603-R606 HydrophobicContact CB-CG 4.41Å; E603-R606 PolarHBondContact O-N 3.35Å; E603-R606 IonicContact OE1-CZ 3.67Å; E603-R606 IonicContact OE1-NH1 2.69Å; E603-R606 PolarHBondContact OE1-NH1 2.84Å; E603-R606 IonicContact OE2-CZ 2.85Å; E603-R606 IonicContact OE2-NE 2.69Å; E603-R606 PolarHBondContact OE2-NE 2.92Å; E603-R606 IonicContact OE2-NH1 3.33Å; E603-R606 PolarHBondContact OE2-NH1 3.32Å; E603-R606 VanDerWaalsContact OE2-NH1 3.12Å; E603-R606 IonicContact OE2-NH2 3.69Å; R606-T608 VanDerWaalsContact C-N 3.33Å; R606-T608 PolarHBondContact O-N 3.46Å; R606-L609 WeakPolarHBondContact O-CB 3.22Å; R606-L609 PolarHBondContact O-N 3.05Å; R606-F610 PolarHBondContact O-N 2.99Å
607I86.7Confident85.1Confident3 Ų345.5 Ų45.52%0.01525%0.246CC..Hα-helixtrans-65.8-36.8178.3-171.367.2000111.9L600 E603 N604 F610 C611 L637 T640L600-I607 HydrophobicContact CD2-CD1 4.16Å; E603-I607 PolarHBondContact O-N 2.99Å; N604-I607 VanDerWaalsContact O-CG2 3.32Å; N604-I607 WeakPolarHBondContact O-CG2 3.28Å; I607-F610 HydrophobicContact CD1-CB 4.4Å; I607-F610 HydrophobicContact CD1-CD1 3.95Å; I607-F610 HydrophobicContact CD1-CG 4.37Å; I607-F610 WeakPolarHBondContact O-CB 3.24Å; I607-F610 PolarHBondContact O-N 3.5Å; I607-C611 PolarHBondContact O-N 3.09Å; I607-C611 PolarHBondContact O-SG 3.29Å; I607-L637 HydrophobicContact CB-CD2 4.21Å; I607-L637 HydrophobicContact CD1-CD2 4.09Å; I607-L637 HydrophobicContact CG1-CD2 3.98Å; I607-T640 HydrophobicContact CG1-CG2 3.75Å; I607-T640 HydrophobicContact CG2-CG2 4.4Å
608T86.3Confident84.9Confident68 Ų6844.1 Ų44.142%0.41724%0.236SC..Hα-helixtrans-65.1-40.2174.749.60000111.6N604 D605 R606 C611 R612N604-T608 WeakPolarHBondContact O-CB 3.18Å; N604-T608 WeakPolarHBondContact O-CG2 3.37Å; N604-T608 PolarHBondContact O-N 2.76Å; N604-T608 VanDerWaalsContact O-N 3.14Å; N604-T608 PolarHBondContact O-OG1 3.29Å; D605-T608 WeakPolarHBondContact CA-OG1 3.23Å; D605-T608 PolarHBondContact O-OG1 3.3Å; R606-T608 VanDerWaalsContact C-N 3.33Å; R606-T608 PolarHBondContact O-N 3.46Å; T608-C611 PolarHBondContact O-N 3.07Å; T608-R612 WeakPolarHBondContact O-CB 3.48Å; T608-R612 VanDerWaalsContact O-CG 3.29Å; T608-R612 WeakPolarHBondContact O-CG 3.31Å; T608-R612 PolarHBondContact O-N 3.34Å
609L86.8Confident84.8Confident5 Ų546.7 Ų46.73%0.02624%0.244CC..Hα-helixtrans-62.2-45.3171.7178.262000111.5I542 P546 S549 L550 L599 D605 R606 C611 R612 L613I542-L609 HydrophobicContact CG2-CD2 4.11Å; P546-L609 HydrophobicContact CB-CB 4Å; P546-L609 HydrophobicContact CB-CD2 3.78Å; S549-L609 VanDerWaalsContact OG-CD2 3.27Å; S549-L609 WeakPolarHBondContact OG-CD2 3.26Å; L550-L609 HydrophobicContact CB-CD1 3.89Å; L550-L609 HydrophobicContact CD1-CD1 3.65Å; L550-L609 HydrophobicContact CG-CD1 4.39Å; L599-L609 HydrophobicContact CD1-CD2 4.08Å; L599-L609 HydrophobicContact CD1-CG 4.05Å; L599-L609 HydrophobicContact CD2-CD2 3.7Å; L599-L609 HydrophobicContact CD2-CG 4.28Å; D605-L609 PolarHBondContact O-N 3.38Å; R606-L609 WeakPolarHBondContact O-CB 3.22Å; R606-L609 PolarHBondContact O-N 3.05Å; L609-C611 PolarHBondContact O-N 3.5Å; L609-R612 PolarHBondContact O-N 3.49Å; L609-L613 WeakPolarHBondContact O-CB 3.39Å; L609-L613 PolarHBondContact O-N 3.37Å
610F90.3Very high84.7Confident0 Ų047.8 Ų47.80%025%0.25CC..Hα-helixtrans-52.6-50.9175.9172.2-89.1000111.8L596 L599 L600 R606 I607 L613 L614 L628L596-F610 HydrophobicContact CB-CD2 4.09Å; L596-F610 HydrophobicContact CB-CE2 3.83Å; L596-F610 HydrophobicContact CD1-CE2 4.49Å; L596-F610 HydrophobicContact CD2-CD2 3.54Å; L596-F610 HydrophobicContact CD2-CE2 3.73Å; L596-F610 HydrophobicContact CD2-CG 4.34Å; L596-F610 HydrophobicContact CG-CD2 4.37Å; L596-F610 HydrophobicContact CG-CE2 4.21Å; L596-F610 WeakPolarHBondContact O-CD2 3.41Å; L599-F610 HydrophobicContact CB-CB 3.89Å; L599-F610 HydrophobicContact CB-CD2 4.25Å; L600-F610 HydrophobicContact CD1-CE2 3.99Å; L600-F610 HydrophobicContact CD1-CZ 4.36Å; L600-F610 HydrophobicContact CD2-CD1 4.23Å; L600-F610 HydrophobicContact CD2-CD2 3.94Å; L600-F610 HydrophobicContact CD2-CE1 3.92Å; L600-F610 HydrophobicContact CD2-CE2 3.59Å; L600-F610 HydrophobicContact CD2-CG 4.25Å; L600-F610 HydrophobicContact CD2-CZ 3.6Å; L600-F610 HydrophobicContact CG-CD2 3.91Å; L600-F610 HydrophobicContact CG-CE2 3.58Å; L600-F610 HydrophobicContact CG-CZ 4.09Å; R606-F610 PolarHBondContact O-N 2.99Å; I607-F610 HydrophobicContact CD1-CB 4.4Å; I607-F610 HydrophobicContact CD1-CD1 3.95Å; I607-F610 HydrophobicContact CD1-CG 4.37Å; I607-F610 WeakPolarHBondContact O-CB 3.24Å; I607-F610 PolarHBondContact O-N 3.5Å; F610-L613 PolarHBondContact O-N 3.37Å; F610-L614 HydrophobicContact CD1-CD1 3.99Å; F610-L614 HydrophobicContact CE1-CD1 3.41Å; F610-L614 VanDerWaalsContact CE1-CD1 3.41Å; F610-L614 HydrophobicContact CE1-CG 4.46Å; F610-L614 HydrophobicContact CE2-CD1 4.4Å; F610-L614 HydrophobicContact CZ-CD1 3.64Å; F610-L614 WeakPolarHBondContact O-CG 3.42Å; F610-L614 PolarHBondContact O-N 3.47Å; F610-L628 HydrophobicContact CE1-CD1 3.8Å; F610-L628 HydrophobicContact CZ-CB 4.43Å; F610-L628 HydrophobicContact CZ-CD1 4.34Å
611C88Confident84.8Confident16 Ų1646.5 Ų46.511%0.10824%0.244CC..Hα-helixtrans-65.8-43-179.2-63.10000112.5I607 T608 L609 L613 L614 L615 A644I607-C611 PolarHBondContact O-N 3.09Å; I607-C611 PolarHBondContact O-SG 3.29Å; T608-C611 PolarHBondContact O-N 3.07Å; L609-C611 PolarHBondContact O-N 3.5Å; C611-L613 VanDerWaalsContact C-N 3.35Å; C611-L614 PolarHBondContact O-N 3.47Å; C611-L615 PolarHBondContact O-N 3.31Å; C611-A644 HydrophobicContact CB-CB 4.12Å
612R88.2Confident85Confident157 Ų15750 Ų5059%0.59226%0.264SS*.Hα-helixtrans-65.6-40.4177.9-69.4-178.885.6-179.95.8111.5L550 T608 L609 L615 E616L550-R612 HydrophobicContact CD1-CB 4.03Å; T608-R612 WeakPolarHBondContact O-CB 3.48Å; T608-R612 VanDerWaalsContact O-CG 3.29Å; T608-R612 WeakPolarHBondContact O-CG 3.31Å; T608-R612 PolarHBondContact O-N 3.34Å; L609-R612 PolarHBondContact O-N 3.49Å; R612-L615 WeakPolarHBondContact O-CB 3.34Å; R612-L615 PolarHBondContact O-N 2.86Å; R612-L615 VanDerWaalsContact O-N 3.14Å; R612-E616 PolarHBondContact O-N 2.96Å
613L89.1Confident85.7Confident0 Ų052.6 Ų52.60%026%0.26CS..Hα-helixtrans-61.9-46.1178.3-17064.3000111A553 A554 I557 L595 L596 L599 L609 F610 C611 L615 E616 I617A553-L613 HydrophobicContact CB-CD1 3.85Å; A553-L613 HydrophobicContact CB-CD2 4.33Å; A554-L613 HydrophobicContact CB-CD1 4.35Å; I557-L613 HydrophobicContact CD1-CD1 3.62Å; I557-L613 HydrophobicContact CD1-CD2 3.61Å; I557-L613 HydrophobicContact CD1-CG 3.68Å; L595-L613 HydrophobicContact CD2-CD2 3.73Å; L595-L613 HydrophobicContact CG-CD2 4.16Å; L596-L613 HydrophobicContact CD2-CD2 4.08Å; L599-L613 HydrophobicContact CD1-CD2 3.97Å; L609-L613 WeakPolarHBondContact O-CB 3.39Å; L609-L613 PolarHBondContact O-N 3.37Å; F610-L613 PolarHBondContact O-N 3.37Å; C611-L613 VanDerWaalsContact C-N 3.35Å; L613-L615 PolarHBondContact O-N 3.02Å; L613-L615 VanDerWaalsContact O-N 3.17Å; L613-E616 PolarHBondContact O-N 3.05Å; L613-I617 HydrophobicContact CG-CG2 4.25Å; L613-I617 WeakPolarHBondContact O-CG2 3.43Å; L613-I617 PolarHBondContact O-N 3.37Å
614L88.8Confident86.4Confident2 Ų248 Ų481%0.0124%0.238CC..Hα-helixtrans-56.9-29.6175-77.4176.8000113.5L596 F610 C611 I617 A624 L628 L648L596-L614 HydrophobicContact CD1-CD2 3.69Å; L596-L614 HydrophobicContact CD2-CD2 4.11Å; L596-L614 HydrophobicContact CD2-CG 4.13Å; F610-L614 HydrophobicContact CD1-CD1 3.99Å; F610-L614 HydrophobicContact CE1-CD1 3.41Å; F610-L614 VanDerWaalsContact CE1-CD1 3.41Å; F610-L614 HydrophobicContact CE1-CG 4.46Å; F610-L614 HydrophobicContact CE2-CD1 4.4Å; F610-L614 HydrophobicContact CZ-CD1 3.64Å; F610-L614 WeakPolarHBondContact O-CG 3.42Å; F610-L614 PolarHBondContact O-N 3.47Å; C611-L614 PolarHBondContact O-N 3.47Å; L614-I617 HydrophobicContact CD2-CD1 3.93Å; L614-I617 WeakPolarHBondContact O-CG1 3.49Å; L614-A624 HydrophobicContact CD2-CB 4.44Å; L614-L628 HydrophobicContact CD1-CD1 4.44Å; L614-L628 HydrophobicContact CD1-CD2 4.47Å; L614-L648 HydrophobicContact CB-CD1 4.4Å; L614-L648 HydrophobicContact CB-CD2 4.27Å; L614-L648 HydrophobicContact CD1-CD1 4.4Å; L614-L648 WeakPolarHBondContact O-CD2 3.35Å
615L87.4Confident87.1Confident43 Ų4342.9 Ų42.923%0.22521%0.212CC..Hα-helixtrans-77.4-25.5176.1-69.7171.2000113.3C611 R612 L613 D647 L648 R652C611-L615 PolarHBondContact O-N 3.31Å; R612-L615 WeakPolarHBondContact O-CB 3.34Å; R612-L615 PolarHBondContact O-N 2.86Å; R612-L615 VanDerWaalsContact O-N 3.14Å; L613-L615 PolarHBondContact O-N 3.02Å; L613-L615 VanDerWaalsContact O-N 3.17Å; L615-D647 HydrophobicContact CD1-CB 4.01Å; L615-D647 HydrophobicContact CD2-CB 3.79Å; L615-D647 HydrophobicContact CG-CB 4.46Å; L615-L648 HydrophobicContact CD2-CD2 3.93Å; L615-L648 HydrophobicContact CD2-CG 4.14Å; L615-R652 PolarHBondContact O-NE 3.12Å; L615-R652 PolarHBondContact O-NH2 3.27Å
616E86.5Confident87.3Confident103 Ų10342.2 Ų42.248%0.48121%0.208SC..Hα-helixtrans-95.9-23.6-177.2-67.1-63.1155.500113.2Y558 R612 L613 R652Y558-E616 PolarHBondContact OH-O 3.18Å; R612-E616 PolarHBondContact O-N 2.96Å; L613-E616 PolarHBondContact O-N 3.05Å; E616-R652 PolarHBondContact O-NH2 3.19Å
617I88.5Confident87.4Confident1 Ų141.4 Ų41.41%0.00521%0.207CC..SBendtrans-58.1146.1-175.960.6174.5000114.4I557 L592 L613 L614 I619 V620 R652I557-I617 HydrophobicContact CD1-CG2 3.89Å; I557-I617 HydrophobicContact CG2-CB 4.27Å; I557-I617 HydrophobicContact CG2-CG2 3.81Å; L592-I617 HydrophobicContact CD1-CD1 4.16Å; L592-I617 HydrophobicContact CD1-CG2 3.8Å; L592-I617 HydrophobicContact CD2-CD1 3.88Å; L613-I617 HydrophobicContact CG-CG2 4.25Å; L613-I617 WeakPolarHBondContact O-CG2 3.43Å; L613-I617 PolarHBondContact O-N 3.37Å; L614-I617 HydrophobicContact CD2-CD1 3.93Å; L614-I617 WeakPolarHBondContact O-CG1 3.49Å; I617-I619 PolarHBondContact O-N 3.3Å; I617-V620 HydrophobicContact CD1-CB 4.46Å; I617-V620 HydrophobicContact CD1-CG2 4.12Å; I617-V620 HydrophobicContact CG1-CG2 4.34Å; I617-R652 PolarHBondContact O-NH1 3.13Å; I617-R652 PolarHBondContact O-NH2 3.11Å
618P84.4Confident87.6Confident27 Ų2741.3 Ų41.318%0.17521%0.207CC..SBendtrans-62.9-45.1-175.319.8-29.6000113.6Y558 Y561 Y588 R652Y558-P618 HydrophobicContact CD1-CB 4.14Å; Y558-P618 HydrophobicContact CD1-CG 4.05Å; Y558-P618 HydrophobicContact CE1-CB 3.79Å; Y558-P618 HydrophobicContact CE1-CG 4.11Å; Y561-P618 HydrophobicContact CD1-CB 3.93Å; Y561-P618 HydrophobicContact CD1-CG 3.97Å; Y561-P618 HydrophobicContact CD2-CB 4.17Å; Y561-P618 HydrophobicContact CD2-CG 3.87Å; Y561-P618 HydrophobicContact CE1-CB 4.2Å; Y561-P618 HydrophobicContact CE2-CB 4.43Å; Y561-P618 HydrophobicContact CG-CB 3.92Å; Y561-P618 HydrophobicContact CG-CG 3.52Å; Y588-P618 HydrophobicContact CE2-CG 3.66Å; Y588-P618 WeakPolarHBondContact OH-CD 3.17Å; P618-R652 PolarHBondContact O-NH1 3.38Å
619I83.8Confident87.8Confident78 Ų7841.8 Ų41.840%0.420%0.201SC..SBendtrans-135.9128.2178.5-58.8-171.4000109.7Y561 Y588 I617 T621Y561-I619 HydrophobicContact CE2-CD1 3.5Å; Y561-I619 HydrophobicContact CE2-CG1 3.76Å; Y588-I619 HydrophobicContact CE1-CB 4.33Å; Y588-I619 VanDerWaalsContact CE1-O 3.31Å; Y588-I619 WeakPolarHBondContact CE1-O 3.29Å; Y588-I619 PolarHBondContact OH-N 2.95Å; Y588-I619 PolarHBondContact OH-O 2.89Å; I617-I619 PolarHBondContact O-N 3.3Å; I619-T621 PolarHBondContact O-N 2.83Å
620V85.8Confident87.8Confident22 Ų2249.9 Ų49.913%0.13323%0.231CC..  trans-78.4118.2172.6-172.20000108.4I617 V625 L648I617-V620 HydrophobicContact CD1-CB 4.46Å; I617-V620 HydrophobicContact CD1-CG2 4.12Å; I617-V620 HydrophobicContact CG1-CG2 4.34Å; V620-V625 HydrophobicContact CG1-CG2 3.61Å; V620-L648 HydrophobicContact CG2-CD2 4.33Å
621T87.5Confident87.7Confident21 Ų2150.3 Ų50.313%0.12923%0.234CC..  trans-87.9159.2179.966.40000111.7Y588 D589 L592 I619 R623 A624 V625Y588-T621 HydrophobicContact CD1-CG2 3.94Å; Y588-T621 HydrophobicContact CE1-CG2 3.6Å; D589-T621 HydrophobicContact CB-CG2 4.18Å; D589-T621 WeakPolarHBondContact OD1-CB 3.22Å; D589-T621 WeakPolarHBondContact OD1-CG2 3.49Å; D589-T621 PolarHBondContact OD1-OG1 3.42Å; L592-T621 HydrophobicContact CD2-CG2 4.13Å; I619-T621 PolarHBondContact O-N 2.83Å; T621-R623 VanDerWaalsContact C-N 3.34Å; T621-R623 PolarHBondContact O-N 2.94Å; T621-A624 PolarHBondContact O-N 3.32Å; T621-A624 WeakPolarHBondContact OG1-CB 3.49Å; T621-A624 PolarHBondContact OG1-N 2.97Å; T621-V625 WeakPolarHBondContact O-CG2 3.27Å; T621-V625 PolarHBondContact O-N 3.34Å
622V85.8Confident87.7Confident106 Ų10649.5 Ų49.564%0.64223%0.229SC*.Hα-helixtrans-60.6-43.5179-177.30000111A624 V625 D626V622-A624 VanDerWaalsContact C-N 3.32Å; V622-A624 PolarHBondContact O-N 2.98Å; V622-V625 CarbonylContact O-C 3.58Å; V622-V625 WeakPolarHBondContact O-CA 3.43Å; V622-V625 WeakPolarHBondContact O-CB 3.48Å; V622-V625 PolarHBondContact O-N 3.43Å; V622-V625 VanDerWaalsContact O-N 3.08Å; V622-D626 PolarHBondContact O-N 3.37Å
623R87.1Confident87.6Confident119 Ų11946.5 Ų46.545%0.44922%0.22SC..Hα-helixtrans-62.4-36.3176.8-76.5177.354.9-153.313.6112.7D589 D590 C593 T621 D626 L627D589-R623 WeakPolarHBondContact OD2-CD 3.17Å; D589-R623 IonicContact OD2-CZ 3.65Å; D589-R623 IonicContact OD2-NE 3.48Å; D589-R623 IonicContact OD2-NH1 2.98Å; D589-R623 PolarHBondContact OD2-NH1 2.87Å; D590-R623 IonicContact OD1-CZ 3.98Å; D590-R623 IonicContact OD1-NH1 2.8Å; D590-R623 PolarHBondContact OD1-NH1 3.21Å; D590-R623 IonicContact OD1-NH2 3.18Å; C593-R623 WeakPolarHBondContact SG-CB 3.43Å; T621-R623 VanDerWaalsContact C-N 3.34Å; T621-R623 PolarHBondContact O-N 2.94Å; R623-D626 PolarHBondContact O-N 3.32Å; R623-L627 WeakPolarHBondContact O-CG 3.37Å; R623-L627 PolarHBondContact O-N 3.42Å
624A89.1Confident87.4Confident1 Ų150 Ų501%0.00824%0.239CC..Hα-helixtrans-66.2-38.3173.400000112.2L592 L596 L614 T621 V622 L627 L628L592-A624 HydrophobicContact CD2-CB 3.98Å; L596-A624 HydrophobicContact CD1-CB 3.78Å; L614-A624 HydrophobicContact CD2-CB 4.44Å; T621-A624 PolarHBondContact O-N 3.32Å; T621-A624 WeakPolarHBondContact OG1-CB 3.49Å; T621-A624 PolarHBondContact OG1-N 2.97Å; V622-A624 VanDerWaalsContact C-N 3.32Å; V622-A624 PolarHBondContact O-N 2.98Å; A624-L627 PolarHBondContact O-N 2.82Å; A624-L628 PolarHBondContact O-N 3.13Å; A624-L628 VanDerWaalsContact O-N 3.11Å
625V89.8Confident87.2Confident18 Ų1855.2 Ų55.211%0.10926%0.264CS..Hα-helixtrans-65.7-39172.8-179.10000111.1V620 T621 V622 L627 L628 R629 F645 L659 V662V620-V625 HydrophobicContact CG1-CG2 3.61Å; T621-V625 WeakPolarHBondContact O-CG2 3.27Å; T621-V625 PolarHBondContact O-N 3.34Å; V622-V625 CarbonylContact O-C 3.58Å; V622-V625 WeakPolarHBondContact O-CA 3.43Å; V622-V625 WeakPolarHBondContact O-CB 3.48Å; V622-V625 PolarHBondContact O-N 3.43Å; V622-V625 VanDerWaalsContact O-N 3.08Å; V625-L627 VanDerWaalsContact C-N 3.34Å; V625-L627 PolarHBondContact O-N 2.92Å; V625-L628 PolarHBondContact O-N 3.46Å; V625-R629 WeakPolarHBondContact O-CB 3.29Å; V625-R629 PolarHBondContact O-N 2.99Å; V625-F645 HydrophobicContact CG1-CE1 4.48Å; V625-L659 HydrophobicContact CG1-CD2 4.21Å; V625-L659 HydrophobicContact CG2-CD2 3.69Å; V625-V662 HydrophobicContact CG1-CB 4.22Å; V625-V662 HydrophobicContact CG1-CG1 4.11Å; V625-V662 HydrophobicContact CG1-CG2 3.87Å
626D87.6Confident87.1Confident52 Ų5257.8 Ų57.828%0.27828%0.281SS..Hα-helixtrans-65.4-36.5176.2-71.2-33.4000112.4V622 R623 R629 R630V622-D626 PolarHBondContact O-N 3.37Å; R623-D626 PolarHBondContact O-N 3.32Å; D626-R629 WeakPolarHBondContact O-CB 3.32Å; D626-R629 PolarHBondContact O-N 3.17Å; D626-R630 VanDerWaalsContact O-CG 3.32Å; D626-R630 WeakPolarHBondContact O-CG 3.33Å; D626-R630 PolarHBondContact O-N 2.89Å
627L87.6Confident87Confident27 Ų2753.4 Ų53.414%0.14126%0.261CS..Hα-helixtrans-61.8-46.5171.6-74.1176.2000111.2C593 L596 L600 R623 A624 V625 R629 R630 A631C593-L627 HydrophobicContact CB-CD1 4.03Å; L596-L627 HydrophobicContact CB-CD1 4.07Å; L600-L627 HydrophobicContact CD1-CB 4.16Å; L600-L627 HydrophobicContact CD1-CD2 4.38Å; R623-L627 WeakPolarHBondContact O-CG 3.37Å; R623-L627 PolarHBondContact O-N 3.42Å; A624-L627 PolarHBondContact O-N 2.82Å; V625-L627 VanDerWaalsContact C-N 3.34Å; V625-L627 PolarHBondContact O-N 2.92Å; L627-R629 VanDerWaalsContact C-N 3.31Å; L627-R629 PolarHBondContact O-N 2.94Å; L627-R630 PolarHBondContact O-N 3.49Å; L627-A631 WeakPolarHBondContact O-CB 3.43Å; L627-A631 PolarHBondContact O-N 3.44Å
628L91Very high87Confident1 Ų153.5 Ų53.51%0.00526%0.262CS..Hα-helixtrans-62.9-38.1174.9-179.966.9000111.8F610 L614 A624 V625 A631 C632 C641 A644 F645 L648F610-L628 HydrophobicContact CE1-CD1 3.8Å; F610-L628 HydrophobicContact CZ-CB 4.43Å; F610-L628 HydrophobicContact CZ-CD1 4.34Å; L614-L628 HydrophobicContact CD1-CD1 4.44Å; L614-L628 HydrophobicContact CD1-CD2 4.47Å; A624-L628 PolarHBondContact O-N 3.13Å; A624-L628 VanDerWaalsContact O-N 3.11Å; V625-L628 PolarHBondContact O-N 3.46Å; L628-A631 PolarHBondContact O-N 3.36Å; L628-C632 PolarHBondContact O-N 3.01Å; L628-C632 PolarHBondContact O-SG 2.98Å; L628-C641 HydrophobicContact CD1-CB 3.9Å; L628-A644 HydrophobicContact CD1-CB 4.15Å; L628-F645 HydrophobicContact CB-CE2 4.49Å; L628-F645 HydrophobicContact CB-CZ 4.48Å; L628-F645 HydrophobicContact CD1-CE2 4.44Å; L628-F645 HydrophobicContact CD2-CD1 3.99Å; L628-F645 HydrophobicContact CD2-CD2 3.74Å; L628-F645 HydrophobicContact CD2-CE1 3.84Å; L628-F645 HydrophobicContact CD2-CE2 3.59Å; L628-F645 HydrophobicContact CD2-CG 3.94Å; L628-F645 HydrophobicContact CD2-CZ 3.63Å; L628-F645 HydrophobicContact CG-CD2 3.95Å; L628-F645 HydrophobicContact CG-CE2 3.51Å; L628-F645 HydrophobicContact CG-CZ 3.83Å; L628-L648 HydrophobicContact CD2-CD1 3.84Å
629R90.1Very high87.2Confident79 Ų7956.4 Ų56.430%0.29828%0.275SS..Hα-helixtrans-60.9-49.8175.9180-174.2170.3-171.4-8.1111V625 D626 L627 A631 C632 F633 V662 F666 E718V625-R629 WeakPolarHBondContact O-CB 3.29Å; V625-R629 PolarHBondContact O-N 2.99Å; D626-R629 WeakPolarHBondContact O-CB 3.32Å; D626-R629 PolarHBondContact O-N 3.17Å; L627-R629 VanDerWaalsContact C-N 3.31Å; L627-R629 PolarHBondContact O-N 2.94Å; R629-A631 VanDerWaalsContact C-N 3.29Å; R629-A631 PolarHBondContact O-N 2.88Å; R629-C632 WeakPolarHBondContact O-CB 3.44Å; R629-C632 PolarHBondContact O-N 3.24Å; R629-F633 HydrophobicContact CG-CE2 4.34Å; R629-F633 VanDerWaalsContact O-CD2 3.27Å; R629-F633 WeakPolarHBondContact O-CD2 3.14Å; R629-V662 HydrophobicContact CB-CG1 4.19Å; R629-V662 HydrophobicContact CG-CG1 4.21Å; R629-F666 HydrophobicContact CB-CZ 4.28Å; R629-F666 HydrophobicContact CG-CE1 3.74Å; R629-F666 HydrophobicContact CG-CZ 3.77Å; R629-E718 IonicContact NH2-OE1 2.88Å; R629-E718 PolarHBondContact NH2-OE1 3.34Å
630R87.4Confident87.4Confident174 Ų17455 Ų5566%0.65727%0.271SS*.Hα-helixtrans-60.7-39.7177.8-70.8172.8-167.7167.54.9111.6D626 L627 C632 F633D626-R630 VanDerWaalsContact O-CG 3.32Å; D626-R630 WeakPolarHBondContact O-CG 3.33Å; D626-R630 PolarHBondContact O-N 2.89Å; L627-R630 PolarHBondContact O-N 3.49Å; R630-C632 VanDerWaalsContact C-N 3.26Å; R630-C632 PolarHBondContact O-N 3.32Å; R630-F633 PolarHBondContact O-N 2.87Å
631A87.5Confident87.6Confident9 Ų954 Ų547%0.07427%0.265CS..Hα-helixtrans-64.3-27.2178.300000113.7L600 L627 L628 R629 F633 D634 C641L600-A631 HydrophobicContact CD2-CB 3.6Å; L627-A631 WeakPolarHBondContact O-CB 3.43Å; L627-A631 PolarHBondContact O-N 3.44Å; L628-A631 PolarHBondContact O-N 3.36Å; R629-A631 VanDerWaalsContact C-N 3.29Å; R629-A631 PolarHBondContact O-N 2.88Å; A631-F633 PolarHBondContact O-N 3.32Å; A631-D634 PolarHBondContact O-N 3.49Å; A631-C641 VanDerWaalsContact CB-SG 3.6Å
632C88.5Confident87.8Confident0 Ų053.3 Ų53.30%026%0.26CS..THydrogen-bonded Turntrans-68.8-16.5177.6-68.20000114.4L628 R629 R630 Q638 C641 F645 F666 L674L628-C632 PolarHBondContact O-N 3.01Å; L628-C632 PolarHBondContact O-SG 2.98Å; R629-C632 WeakPolarHBondContact O-CB 3.44Å; R629-C632 PolarHBondContact O-N 3.24Å; R630-C632 VanDerWaalsContact C-N 3.26Å; R630-C632 PolarHBondContact O-N 3.32Å; C632-Q638 PolarHBondContact O-NE2 2.89Å; C632-Q638 VanDerWaalsContact O-NE2 3.1Å; C632-C641 VanDerWaalsContact SG-CB 3.53Å; C632-F645 VanDerWaalsContact SG-CE2 3.57Å; C632-F666 HydrophobicContact CB-CE2 4.15Å; C632-F666 HydrophobicContact CB-CZ 4.06Å; C632-L674 HydrophobicContact CB-CD1 4.44Å
633F86.6Confident88.1Confident93 Ų9349.8 Ų49.841%0.40824%0.242SC..THydrogen-bonded Turntrans-82.6-16.3176-68.6-84.9000113R629 R630 A631 E635 F666 L669 L674R629-F633 HydrophobicContact CG-CE2 4.34Å; R629-F633 VanDerWaalsContact O-CD2 3.27Å; R629-F633 WeakPolarHBondContact O-CD2 3.14Å; R630-F633 PolarHBondContact O-N 2.87Å; A631-F633 PolarHBondContact O-N 3.32Å; F633-E635 PolarHBondContact O-N 3.42Å; F633-F666 HydrophobicContact CE2-CE1 4.25Å; F633-F666 HydrophobicContact CZ-CE1 4.39Å; F633-L669 HydrophobicContact CE1-CD1 3.73Å; F633-L669 HydrophobicContact CZ-CD1 3.81Å; F633-L674 HydrophobicContact CD1-CD2 4.46Å; F633-L674 HydrophobicContact CE1-CD2 4.35Å
634D85.3Confident88.2Confident73 Ų7344.2 Ų44.239%0.3922%0.222SC..SBendtrans-78.3117.8171.5-171.5-28.2000109.5A631 T636 L637 Q638A631-D634 PolarHBondContact O-N 3.49Å; D634-T636 PolarHBondContact O-N 3.02Å; D634-T636 VanDerWaalsContact O-N 3.17Å; D634-T636 WeakPolarHBondContact OD1-CB 3.42Å; D634-T636 PolarHBondContact OD1-N 3.43Å; D634-T636 PolarHBondContact OD1-OG1 2.89Å; D634-L637 HydrophobicContact CB-CB 4.32Å; D634-L637 HydrophobicContact CB-CD1 4.4Å; D634-L637 HydrophobicContact CB-CG 4.42Å; D634-L637 PolarHBondContact O-N 2.65Å; D634-Q638 WeakPolarHBondContact O-CB 3.44Å; D634-Q638 PolarHBondContact O-N 2.87Å
635E83.3Confident88.5Confident113 Ų11344.2 Ų44.253%0.52822%0.221SC..THydrogen-bonded Turntrans-59.6-28.1-177.7-65.1-158155.700112.9F633 K673F633-E635 PolarHBondContact O-N 3.42Å; E635-K673 VanDerWaalsContact CD-NZ 3.3Å; E635-K673 IonicContact OE1-NZ 3.34Å; E635-K673 PolarHBondContact OE1-NZ 2.88Å; E635-K673 IonicContact OE2-NZ 3.32Å; E635-K673 PolarHBondContact OE2-NZ 2.85Å; E635-K673 VanDerWaalsContact OE2-NZ 3.1Å
636T85.1Confident88.6Confident97 Ų9747.2 Ų47.260%0.59523%0.231SC*.THydrogen-bonded Turntrans-75.7-34.1-178.664.50000112.7D634D634-T636 PolarHBondContact O-N 3.02Å; D634-T636 VanDerWaalsContact O-N 3.17Å; D634-T636 WeakPolarHBondContact OD1-CB 3.42Å; D634-T636 PolarHBondContact OD1-N 3.43Å; D634-T636 PolarHBondContact OD1-OG1 2.89Å
637L85.8Confident88.9Confident11 Ų1146.9 Ų46.96%0.05823%0.229CC..THydrogen-bonded Turntrans-96.2-15.6-176.4-61.3179.3000113.1I607 D634 D639 T640 C641I607-L637 HydrophobicContact CB-CD2 4.21Å; I607-L637 HydrophobicContact CD1-CD2 4.09Å; I607-L637 HydrophobicContact CG1-CD2 3.98Å; D634-L637 HydrophobicContact CB-CB 4.32Å; D634-L637 HydrophobicContact CB-CD1 4.4Å; D634-L637 HydrophobicContact CB-CG 4.42Å; D634-L637 PolarHBondContact O-N 2.65Å; L637-D639 PolarHBondContact O-N 2.78Å; L637-T640 PolarHBondContact O-N 3.22Å; L637-T640 VanDerWaalsContact O-N 3.1Å; L637-C641 PolarHBondContact O-N 3.46Å; L637-C641 PolarHBondContact O-SG 2.79Å; L637-C641 VanDerWaalsContact O-SG 3.39Å
638Q88.2Confident89.1Confident3 Ų345.7 Ų45.71%0.01422%0.223CC..Hα-helixtrans-51-48-169.1-177.7171.580.900114.1C632 D634 T640 C641 L642 L674C632-Q638 PolarHBondContact O-NE2 2.89Å; C632-Q638 VanDerWaalsContact O-NE2 3.1Å; D634-Q638 WeakPolarHBondContact O-CB 3.44Å; D634-Q638 PolarHBondContact O-N 2.87Å; Q638-T640 PolarHBondContact O-N 3.06Å; Q638-C641 PolarHBondContact O-N 2.93Å; Q638-L642 HydrophobicContact CG-CD1 3.95Å; Q638-L642 HydrophobicContact CG-CG 4.34Å; Q638-L642 VanDerWaalsContact O-CB 3.28Å; Q638-L642 WeakPolarHBondContact O-CB 3.29Å; Q638-L642 VanDerWaalsContact O-CG 3.25Å; Q638-L642 WeakPolarHBondContact O-CG 3.46Å; Q638-L642 PolarHBondContact O-N 3.27Å; Q638-L674 HydrophobicContact CG-CD1 4.08Å
639D87.9Confident89.1Confident87 Ų8745.7 Ų45.747%0.46522%0.223SC..Hα-helixtrans-65.3-40.2-177.2-72.9-45.2000111.8L637 A643 R677L637-D639 PolarHBondContact O-N 2.78Å; D639-A643 WeakPolarHBondContact O-CB 3.36Å; D639-A643 PolarHBondContact O-N 3.12Å; D639-R677 VanDerWaalsContact CG-CZ 3.48Å; D639-R677 VanDerWaalsContact CG-NH1 3.32Å; D639-R677 IonicContact OD1-CZ 3.13Å; D639-R677 IonicContact OD1-NE 2.69Å; D639-R677 PolarHBondContact OD1-NE 3.08Å; D639-R677 IonicContact OD1-NH1 2.91Å; D639-R677 PolarHBondContact OD1-NH1 3.12Å; D639-R677 IonicContact OD1-NH2 2.73Å; D639-R677 PolarHBondContact OD1-NH2 2.92Å; D639-R677 IonicContact OD2-CZ 3.22Å; D639-R677 VanDerWaalsContact OD2-CZ 3.27Å; D639-R677 IonicContact OD2-NH1 3.49Å; D639-R677 PolarHBondContact OD2-NH1 3.49Å; D639-R677 VanDerWaalsContact OD2-NH1 3.17Å; D639-R677 IonicContact OD2-NH2 3.36Å; D639-R677 PolarHBondContact OD2-NH2 3.38Å
640T87.9Confident89.1Confident50 Ų5043.4 Ų43.431%0.30722%0.216SC..Hα-helixtrans-70.1-41.5177.5-48.50000111.6I607 L637 Q638 A643 A644I607-T640 HydrophobicContact CG1-CG2 3.75Å; I607-T640 HydrophobicContact CG2-CG2 4.4Å; L637-T640 PolarHBondContact O-N 3.22Å; L637-T640 VanDerWaalsContact O-N 3.1Å; Q638-T640 PolarHBondContact O-N 3.06Å; T640-A643 PolarHBondContact O-N 3.29Å; T640-A644 PolarHBondContact O-N 3.5Å
641C90.4Very high89.2Confident0 Ų040.1 Ų40.10%021%0.211CC..Hα-helixtrans-67.4-38.6177.2-660000112.5L628 A631 C632 L637 Q638 A644 F645L628-C641 HydrophobicContact CD1-CB 3.9Å; A631-C641 VanDerWaalsContact CB-SG 3.6Å; C632-C641 VanDerWaalsContact SG-CB 3.53Å; L637-C641 PolarHBondContact O-N 3.46Å; L637-C641 PolarHBondContact O-SG 2.79Å; L637-C641 VanDerWaalsContact O-SG 3.39Å; Q638-C641 PolarHBondContact O-N 2.93Å; C641-A644 WeakPolarHBondContact O-CB 3.45Å; C641-A644 PolarHBondContact O-N 3.32Å; C641-F645 PolarHBondContact O-N 3.38Å
642L92.1Very high89.3Confident7 Ų742.2 Ų42.24%0.03722%0.217CC..Hα-helixtrans-66-38.9174-75.8-179.1000111.7Q638 A644 F645 R646 L663 F666 L674 R677 L681Q638-L642 HydrophobicContact CG-CD1 3.95Å; Q638-L642 HydrophobicContact CG-CG 4.34Å; Q638-L642 VanDerWaalsContact O-CB 3.28Å; Q638-L642 WeakPolarHBondContact O-CB 3.29Å; Q638-L642 VanDerWaalsContact O-CG 3.25Å; Q638-L642 WeakPolarHBondContact O-CG 3.46Å; Q638-L642 PolarHBondContact O-N 3.27Å; L642-A644 VanDerWaalsContact C-N 3.3Å; L642-A644 PolarHBondContact O-N 3.23Å; L642-F645 WeakPolarHBondContact O-CB 3.21Å; L642-F645 PolarHBondContact O-N 3.37Å; L642-R646 PolarHBondContact O-N 3.44Å; L642-L663 HydrophobicContact CD2-CD1 3.88Å; L642-F666 HydrophobicContact CD2-CD2 4.45Å; L642-L674 HydrophobicContact CD1-CD1 4.21Å; L642-L674 HydrophobicContact CD2-CD1 4.21Å; L642-L674 HydrophobicContact CG-CD1 4.5Å; L642-R677 HydrophobicContact CD1-CB 3.65Å; L642-L681 HydrophobicContact CB-CD1 3.8Å; L642-L681 HydrophobicContact CD2-CD1 4.24Å; L642-L681 HydrophobicContact CG-CD1 4.45Å
643A90.9Very high89.1Confident31 Ų3146.5 Ų46.526%0.25625%0.245SC..Hα-helixtrans-62.2-37.3170.200000112D639 T640 R646 D647D639-A643 WeakPolarHBondContact O-CB 3.36Å; D639-A643 PolarHBondContact O-N 3.12Å; T640-A643 PolarHBondContact O-N 3.29Å; A643-R646 WeakPolarHBondContact O-CB 3.45Å; A643-R646 PolarHBondContact O-N 3.21Å; A643-D647 VanDerWaalsContact O-CG 3.25Å; A643-D647 PolarHBondContact O-N 3.39Å
644A91.2Very high88.9Confident3 Ų353.9 Ų53.93%0.02527%0.27CS..Hα-helixtrans-64.3-41.717400000112.1C611 L628 T640 C641 L642 R646 D647 L648C611-A644 HydrophobicContact CB-CB 4.12Å; L628-A644 HydrophobicContact CD1-CB 4.15Å; T640-A644 PolarHBondContact O-N 3.5Å; C641-A644 WeakPolarHBondContact O-CB 3.45Å; C641-A644 PolarHBondContact O-N 3.32Å; L642-A644 VanDerWaalsContact C-N 3.3Å; L642-A644 PolarHBondContact O-N 3.23Å; A644-R646 VanDerWaalsContact C-N 3.33Å; A644-R646 PolarHBondContact O-N 2.85Å; A644-D647 PolarHBondContact O-N 2.94Å; A644-L648 VanDerWaalsContact O-CB 3.31Å; A644-L648 WeakPolarHBondContact O-CB 3.18Å; A644-L648 WeakPolarHBondContact O-CG 3.43Å; A644-L648 PolarHBondContact O-N 3.39Å
645F93.8Very high88.9Confident0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-58.6-45.3171-91.9-68.1000111.5V625 L628 C632 C641 L642 D647 L648 I649 L659 V662 L663 F666V625-F645 HydrophobicContact CG1-CE1 4.48Å; L628-F645 HydrophobicContact CB-CE2 4.49Å; L628-F645 HydrophobicContact CB-CZ 4.48Å; L628-F645 HydrophobicContact CD1-CE2 4.44Å; L628-F645 HydrophobicContact CD2-CD1 3.99Å; L628-F645 HydrophobicContact CD2-CD2 3.74Å; L628-F645 HydrophobicContact CD2-CE1 3.84Å; L628-F645 HydrophobicContact CD2-CE2 3.59Å; L628-F645 HydrophobicContact CD2-CG 3.94Å; L628-F645 HydrophobicContact CD2-CZ 3.63Å; L628-F645 HydrophobicContact CG-CD2 3.95Å; L628-F645 HydrophobicContact CG-CE2 3.51Å; L628-F645 HydrophobicContact CG-CZ 3.83Å; C632-F645 VanDerWaalsContact SG-CE2 3.57Å; C641-F645 PolarHBondContact O-N 3.38Å; L642-F645 WeakPolarHBondContact O-CB 3.21Å; L642-F645 PolarHBondContact O-N 3.37Å; F645-D647 PolarHBondContact O-N 2.96Å; F645-L648 PolarHBondContact O-N 3.01Å; F645-I649 WeakPolarHBondContact O-CB 3.39Å; F645-I649 WeakPolarHBondContact O-CD1 3.34Å; F645-I649 WeakPolarHBondContact O-CG1 3.46Å; F645-I649 PolarHBondContact O-N 3Å; F645-L659 HydrophobicContact CE1-CD2 4.32Å; F645-V662 HydrophobicContact CE1-CB 4.31Å; F645-V662 HydrophobicContact CE1-CG1 4.11Å; F645-V662 HydrophobicContact CZ-CG1 3.8Å; F645-L663 HydrophobicContact CB-CD1 4.12Å; F645-L663 HydrophobicContact CD1-CB 4.38Å; F645-L663 HydrophobicContact CD2-CD1 4.49Å; F645-L663 HydrophobicContact CG-CD1 4.24Å; F645-F666 HydrophobicContact CD2-CE2 4.28Å; F645-F666 AromaticContact CE2-CE2 3.71Å; F645-F666 HydrophobicContact CE2-CE2 3.71Å; F645-F666 HydrophobicContact CE2-CZ 4.14Å; F645-F666 HydrophobicContact CZ-CE2 4.18Å; F645-F666 HydrophobicContact CZ-CZ 4.4Å
646R93.4Very high89.3Confident82 Ų8247.7 Ų47.731%0.30924%0.24SC..Hα-helixtrans-53.1-55.9175.3-175-160.464-163.4-5.4110.8L642 A643 A644 L648 I649 M650 L681 F685L642-R646 PolarHBondContact O-N 3.44Å; A643-R646 WeakPolarHBondContact O-CB 3.45Å; A643-R646 PolarHBondContact O-N 3.21Å; A644-R646 VanDerWaalsContact C-N 3.33Å; A644-R646 PolarHBondContact O-N 2.85Å; R646-L648 PolarHBondContact O-N 2.92Å; R646-I649 PolarHBondContact O-N 2.87Å; R646-M650 VanDerWaalsContact O-CG 3.29Å; R646-M650 WeakPolarHBondContact O-CG 3.18Å; R646-M650 PolarHBondContact O-N 2.93Å; R646-L681 HydrophobicContact CB-CD2 4.33Å; R646-L681 HydrophobicContact CG-CD2 4.43Å; R646-F685 HydrophobicContact CB-CZ 4.5Å; R646-F685 HydrophobicContact CG-CZ 4.34Å
647D92.2Very high89.5Confident45 Ų4552.3 Ų52.324%0.24125%0.247CC..Hα-helixtrans-67.3-37.4-174-62.5-14.6000112.1L615 A643 A644 F645 N651L615-D647 HydrophobicContact CD1-CB 4.01Å; L615-D647 HydrophobicContact CD2-CB 3.79Å; L615-D647 HydrophobicContact CG-CB 4.46Å; A643-D647 VanDerWaalsContact O-CG 3.25Å; A643-D647 PolarHBondContact O-N 3.39Å; A644-D647 PolarHBondContact O-N 2.94Å; F645-D647 PolarHBondContact O-N 2.96Å; D647-N651 VanDerWaalsContact O-CB 3.24Å; D647-N651 WeakPolarHBondContact O-CB 3.34Å; D647-N651 PolarHBondContact O-N 3.09Å; D647-N651 PolarHBondContact O-ND2 3.15Å
648L91.7Very high89.5Confident2 Ų258.2 Ų58.21%0.0127%0.274CS..Hα-helixtrans-64.9-45.2175.6-74.5168.2000111.8L614 L615 V620 L628 A644 F645 R646 M650 N651 R652 L659L614-L648 HydrophobicContact CB-CD1 4.4Å; L614-L648 HydrophobicContact CB-CD2 4.27Å; L614-L648 HydrophobicContact CD1-CD1 4.4Å; L614-L648 WeakPolarHBondContact O-CD2 3.35Å; L615-L648 HydrophobicContact CD2-CD2 3.93Å; L615-L648 HydrophobicContact CD2-CG 4.14Å; V620-L648 HydrophobicContact CG2-CD2 4.33Å; L628-L648 HydrophobicContact CD2-CD1 3.84Å; A644-L648 VanDerWaalsContact O-CB 3.31Å; A644-L648 WeakPolarHBondContact O-CB 3.18Å; A644-L648 WeakPolarHBondContact O-CG 3.43Å; A644-L648 PolarHBondContact O-N 3.39Å; F645-L648 PolarHBondContact O-N 3.01Å; R646-L648 PolarHBondContact O-N 2.92Å; L648-M650 VanDerWaalsContact C-N 3.35Å; L648-M650 PolarHBondContact O-N 3.43Å; L648-N651 PolarHBondContact O-N 3.17Å; L648-R652 HydrophobicContact CD2-CG 4.29Å; L648-R652 WeakPolarHBondContact O-CA 3.31Å; L648-R652 WeakPolarHBondContact O-CB 3.17Å; L648-R652 PolarHBondContact O-N 3.36Å; L648-L659 HydrophobicContact CB-CD1 3.75Å
649I92.4Very high89.7Confident1 Ų158.1 Ų58.11%0.00527%0.274CS..Hα-helixtrans-65.2-40.8179.5-68.4167.9000110.4F645 R646 R656 L659 F660 L663 F685F645-I649 WeakPolarHBondContact O-CB 3.39Å; F645-I649 WeakPolarHBondContact O-CD1 3.34Å; F645-I649 WeakPolarHBondContact O-CG1 3.46Å; F645-I649 PolarHBondContact O-N 3Å; R646-I649 PolarHBondContact O-N 2.87Å; I649-R656 HydrophobicContact CG2-CG 3.72Å; I649-R656 WeakPolarHBondContact O-CG 3.21Å; I649-R656 PolarHBondContact O-NE 2.91Å; I649-L659 HydrophobicContact CD1-CB 4.29Å; I649-L659 HydrophobicContact CG1-CB 3.61Å; I649-L659 HydrophobicContact CG1-CD1 4.46Å; I649-F660 HydrophobicContact CD1-CB 4.25Å; I649-F660 HydrophobicContact CD1-CD2 4.36Å; I649-L663 HydrophobicContact CD1-CB 4.24Å; I649-L663 HydrophobicContact CD1-CD2 3.72Å; I649-F685 HydrophobicContact CB-CE1 3.87Å; I649-F685 HydrophobicContact CB-CZ 3.67Å; I649-F685 HydrophobicContact CD1-CE2 3.98Å; I649-F685 HydrophobicContact CD1-CZ 3.76Å; I649-F685 HydrophobicContact CG1-CZ 4.31Å; I649-F685 HydrophobicContact CG2-CD1 4.1Å; I649-F685 HydrophobicContact CG2-CE1 3.39Å; I649-F685 HydrophobicContact CG2-CE2 4.37Å; I649-F685 HydrophobicContact CG2-CZ 3.54Å
650M89.5Confident89.9Confident30 Ų3054.3 Ų54.315%0.14825%0.253CS..Hα-helixtrans-66-49.5177.3-66.8-55.3-167.700111.4R646 L648 R656 F685 T688 Y690R646-M650 VanDerWaalsContact O-CG 3.29Å; R646-M650 WeakPolarHBondContact O-CG 3.18Å; R646-M650 PolarHBondContact O-N 2.93Å; L648-M650 VanDerWaalsContact C-N 3.35Å; L648-M650 PolarHBondContact O-N 3.43Å; M650-R656 PolarHBondContact O-NH2 3.47Å; M650-F685 HydrophobicContact CE-CD1 3.42Å; M650-F685 VanDerWaalsContact CE-CD1 3.42Å; M650-F685 HydrophobicContact CE-CE1 3.41Å; M650-F685 VanDerWaalsContact CE-CE1 3.41Å; M650-F685 HydrophobicContact CG-CE1 4.05Å; M650-F685 HydrophobicContact SD-CD1 3.94Å; M650-F685 HydrophobicContact SD-CE1 3.65Å; M650-T688 HydrophobicContact CE-CG2 4.47Å; M650-Y690 HydrophobicContact SD-CE2 4.27Å; M650-Y690 PolarHBondContact SD-OH 2.9Å
651N89.3Confident89.9Confident105 Ų10555.2 Ų55.256%0.56126%0.261SS*.Hα-helixtrans-90.6-18.5-168.7-63-42.6000115D647 L648 P653D647-N651 VanDerWaalsContact O-CB 3.24Å; D647-N651 WeakPolarHBondContact O-CB 3.34Å; D647-N651 PolarHBondContact O-N 3.09Å; D647-N651 PolarHBondContact O-ND2 3.15Å; L648-N651 PolarHBondContact O-N 3.17Å; N651-P653 WeakPolarHBondContact O-CD 3.38Å
652R89Confident89.8Confident53 Ų5356.6 Ų56.620%0.227%0.27CS..  trans-11282.4-178.1-61.3-64.8-172.1138.1-11112.6L615 E616 I617 P618 L648 R654 A655 R656L615-R652 PolarHBondContact O-NE 3.12Å; L615-R652 PolarHBondContact O-NH2 3.27Å; E616-R652 PolarHBondContact O-NH2 3.19Å; I617-R652 PolarHBondContact O-NH1 3.13Å; I617-R652 PolarHBondContact O-NH2 3.11Å; P618-R652 PolarHBondContact O-NH1 3.38Å; L648-R652 HydrophobicContact CD2-CG 4.29Å; L648-R652 WeakPolarHBondContact O-CA 3.31Å; L648-R652 WeakPolarHBondContact O-CB 3.17Å; L648-R652 PolarHBondContact O-N 3.36Å; R652-R654 VanDerWaalsContact C-N 3.26Å; R652-R654 PolarHBondContact O-N 3.17Å; R652-R654 VanDerWaalsContact O-N 3.13Å; R652-A655 HydrophobicContact CB-CB 4.47Å; R652-A655 PolarHBondContact O-N 3.48Å; R652-R656 PolarHBondContact O-N 3.23Å
653P84.4Confident89.8Confident91 Ų9156.2 Ų56.259%0.59127%0.268SS*.THydrogen-bonded Turntrans-61.6-28.9-174.724.5-34.7000114.3N651N651-P653 WeakPolarHBondContact O-CD 3.38Å
654R83.8Confident89.8Confident247 Ų24755.3 Ų55.393%0.93226%0.259SS*.THydrogen-bonded Turntrans-71-37.3179.4-70.3-173.7176.7168.5-0.7113.3R652R652-R654 VanDerWaalsContact C-N 3.26Å; R652-R654 PolarHBondContact O-N 3.17Å; R652-R654 VanDerWaalsContact O-N 3.13Å
655A85.2Confident89.6Confident18 Ų1856.8 Ų56.815%0.14927%0.269CS..THydrogen-bonded Turntrans-94.8-8.7-179.300000112.7R652 R657 Q658 L659R652-A655 HydrophobicContact CB-CB 4.47Å; R652-A655 PolarHBondContact O-N 3.48Å; A655-R657 VanDerWaalsContact C-N 3.35Å; A655-R657 PolarHBondContact O-N 2.92Å; A655-Q658 PolarHBondContact O-N 3.4Å; A655-L659 HydrophobicContact CB-CD1 3.77Å; A655-L659 HydrophobicContact CB-CG 4.15Å; A655-L659 WeakPolarHBondContact O-CG 3.29Å; A655-L659 PolarHBondContact O-N 3.03Å
656R91.3Very high89.3Confident39 Ų3956.8 Ų56.815%0.14727%0.269CS..Hα-helixtrans-46.8-49.1-172.2-173.9178.8-70157.9-2.6114.5I649 M650 R652 F660 I694I649-R656 HydrophobicContact CG2-CG 3.72Å; I649-R656 WeakPolarHBondContact O-CG 3.21Å; I649-R656 PolarHBondContact O-NE 2.91Å; M650-R656 PolarHBondContact O-NH2 3.47Å; R652-R656 PolarHBondContact O-N 3.23Å; R656-F660 WeakPolarHBondContact O-CB 3.41Å; R656-F660 PolarHBondContact O-N 3.33Å; R656-I694 HydrophobicContact CG-CD1 3.77Å
657R88.8Confident88.9Confident193 Ų19352.9 Ų52.973%0.72825%0.254SS*.Hα-helixtrans-65.6-42.7-178.2-72.3-176.2179.3163.5-1.8112.3A655 F660 S661 I694A655-R657 VanDerWaalsContact C-N 3.35Å; A655-R657 PolarHBondContact O-N 2.92Å; R657-F660 PolarHBondContact O-N 3.3Å; R657-S661 PolarHBondContact O-N 2.92Å; R657-S661 PolarHBondContact O-OG 3.4Å; R657-I694 HydrophobicContact CG-CD1 4.14Å; R657-I694 HydrophobicContact CG-CG1 4.43Å
658Q87Confident88.4Confident135 Ų13551.3 Ų51.363%0.63125%0.246SC*.Hα-helixtrans-68.7-40.6179-67.1172.9-14.700111.5A655 S661 V662A655-Q658 PolarHBondContact O-N 3.4Å; Q658-S661 WeakPolarHBondContact CA-OG 3.39Å; Q658-S661 PolarHBondContact O-N 3.18Å; Q658-S661 PolarHBondContact O-OG 2.88Å; Q658-V662 WeakPolarHBondContact O-CG2 3.41Å; Q658-V662 PolarHBondContact O-N 2.9Å; Q658-V662 VanDerWaalsContact O-N 3.16Å
659L90.8Very high87.9Confident2 Ų253.7 Ų53.71%0.0126%0.259CS..Hα-helixtrans-66.3-41.8175.5-69.9167.8000111.5V625 F645 L648 I649 A655 V662 L663V625-L659 HydrophobicContact CG1-CD2 4.21Å; V625-L659 HydrophobicContact CG2-CD2 3.69Å; F645-L659 HydrophobicContact CE1-CD2 4.32Å; L648-L659 HydrophobicContact CB-CD1 3.75Å; I649-L659 HydrophobicContact CD1-CB 4.29Å; I649-L659 HydrophobicContact CG1-CB 3.61Å; I649-L659 HydrophobicContact CG1-CD1 4.46Å; A655-L659 HydrophobicContact CB-CD1 3.77Å; A655-L659 HydrophobicContact CB-CG 4.15Å; A655-L659 WeakPolarHBondContact O-CG 3.29Å; A655-L659 PolarHBondContact O-N 3.03Å; L659-V662 PolarHBondContact O-N 2.91Å; L659-L663 PolarHBondContact O-N 2.88Å
660F92.4Very high87.1Confident6 Ų658.1 Ų58.13%0.02628%0.283CS..Hα-helixtrans-65.6-38.4176.5-173.9-90.6000112I649 R656 R657 V662 L663 I664 V682 F685 I694 V695 A698I649-F660 HydrophobicContact CD1-CB 4.25Å; I649-F660 HydrophobicContact CD1-CD2 4.36Å; R656-F660 WeakPolarHBondContact O-CB 3.41Å; R656-F660 PolarHBondContact O-N 3.33Å; R657-F660 PolarHBondContact O-N 3.3Å; F660-V662 VanDerWaalsContact C-N 3.3Å; F660-V662 PolarHBondContact O-N 2.76Å; F660-L663 PolarHBondContact O-N 3.24Å; F660-I664 HydrophobicContact CE1-CB 4.2Å; F660-I664 HydrophobicContact CE1-CG1 4.43Å; F660-I664 HydrophobicContact CZ-CD1 4.25Å; F660-I664 WeakPolarHBondContact O-CB 3.49Å; F660-I664 PolarHBondContact O-N 2.91Å; F660-V682 HydrophobicContact CE2-CG2 4.36Å; F660-V682 HydrophobicContact CZ-CG1 4.24Å; F660-V682 HydrophobicContact CZ-CG2 4.43Å; F660-F685 HydrophobicContact CD2-CD2 4.27Å; F660-F685 HydrophobicContact CE2-CB 4.38Å; F660-F685 HydrophobicContact CE2-CD2 4.02Å; F660-F685 HydrophobicContact CE2-CG 4.42Å; F660-I694 HydrophobicContact CB-CG2 4.14Å; F660-I694 HydrophobicContact CD1-CG2 3.51Å; F660-I694 HydrophobicContact CE1-CG2 4.07Å; F660-I694 HydrophobicContact CG-CG2 3.81Å; F660-V695 HydrophobicContact CE2-CG2 3.83Å; F660-V695 HydrophobicContact CZ-CB 4.18Å; F660-V695 HydrophobicContact CZ-CG1 4.42Å; F660-V695 HydrophobicContact CZ-CG2 3.66Å; F660-A698 HydrophobicContact CE1-CB 3.81Å
661S88.8Confident86.8Confident69 Ų6959.4 Ų59.448%0.48329%0.29SS..Hα-helixtrans-64.5-34.4175.763.50000112.3R657 Q658 I664 S665R657-S661 PolarHBondContact O-N 2.92Å; R657-S661 PolarHBondContact O-OG 3.4Å; Q658-S661 WeakPolarHBondContact CA-OG 3.39Å; Q658-S661 PolarHBondContact O-N 3.18Å; Q658-S661 PolarHBondContact O-OG 2.88Å; S661-I664 WeakPolarHBondContact O-CG2 3.39Å; S661-S665 PolarHBondContact O-N 3.32Å
662V88.6Confident86.5Confident29 Ų2959 Ų5918%0.17629%0.291CS..Hα-helixtrans-69.9-45.8172.2176.60000110.8V625 R629 F645 Q658 L659 F660 I664 S665 F666V625-V662 HydrophobicContact CG1-CB 4.22Å; V625-V662 HydrophobicContact CG1-CG1 4.11Å; V625-V662 HydrophobicContact CG1-CG2 3.87Å; R629-V662 HydrophobicContact CB-CG1 4.19Å; R629-V662 HydrophobicContact CG-CG1 4.21Å; F645-V662 HydrophobicContact CE1-CB 4.31Å; F645-V662 HydrophobicContact CE1-CG1 4.11Å; F645-V662 HydrophobicContact CZ-CG1 3.8Å; Q658-V662 WeakPolarHBondContact O-CG2 3.41Å; Q658-V662 PolarHBondContact O-N 2.9Å; Q658-V662 VanDerWaalsContact O-N 3.16Å; L659-V662 PolarHBondContact O-N 2.91Å; F660-V662 VanDerWaalsContact C-N 3.3Å; F660-V662 PolarHBondContact O-N 2.76Å; V662-I664 VanDerWaalsContact C-N 3.34Å; V662-I664 PolarHBondContact O-N 2.76Å; V662-S665 WeakPolarHBondContact O-CB 3.46Å; V662-S665 PolarHBondContact O-N 3.29Å; V662-S665 PolarHBondContact O-OG 3.38Å; V662-F666 HydrophobicContact CG1-CZ 4.29Å
663L91.3Very high86.3Confident0 Ų061.7 Ų61.70%030%0.304CS..Hα-helixtrans-58-45.6177.8178.769.2000111.8L642 F645 I649 L659 F660 S665 F666 T678 F685L642-L663 HydrophobicContact CD2-CD1 3.88Å; F645-L663 HydrophobicContact CB-CD1 4.12Å; F645-L663 HydrophobicContact CD1-CB 4.38Å; F645-L663 HydrophobicContact CD2-CD1 4.49Å; F645-L663 HydrophobicContact CG-CD1 4.24Å; I649-L663 HydrophobicContact CD1-CB 4.24Å; I649-L663 HydrophobicContact CD1-CD2 3.72Å; L659-L663 PolarHBondContact O-N 2.88Å; F660-L663 PolarHBondContact O-N 3.24Å; L663-S665 VanDerWaalsContact C-N 3.26Å; L663-S665 PolarHBondContact O-N 2.94Å; L663-F666 HydrophobicContact CD1-CD2 4.12Å; L663-F666 HydrophobicContact CD1-CE2 4.5Å; L663-F666 VanDerWaalsContact O-CB 3.31Å; L663-F666 WeakPolarHBondContact O-CB 3.42Å; L663-F666 WeakPolarHBondContact O-CD2 3.41Å; L663-F666 PolarHBondContact O-N 3.35Å; L663-F666 VanDerWaalsContact O-N 3.1Å; L663-T678 HydrophobicContact CD1-CG2 4.06Å; L663-T678 HydrophobicContact CG-CG2 4.08Å; L663-T678 VanDerWaalsContact O-CG2 3.24Å; L663-T678 WeakPolarHBondContact O-CG2 3.48Å; L663-F685 HydrophobicContact CD2-CD2 4.2Å; L663-F685 HydrophobicContact CD2-CE2 3.54Å; L663-F685 HydrophobicContact CD2-CZ 4.49Å
664I90.3Very high86.4Confident11 Ų1157.4 Ų57.46%0.05628%0.276CS..Hα-helixtrans-69.2-24.9-176.1-157.667.3000112.8F660 S661 V662 F666 A667 V682 A698 F702 L738F660-I664 HydrophobicContact CE1-CB 4.2Å; F660-I664 HydrophobicContact CE1-CG1 4.43Å; F660-I664 HydrophobicContact CZ-CD1 4.25Å; F660-I664 WeakPolarHBondContact O-CB 3.49Å; F660-I664 PolarHBondContact O-N 2.91Å; S661-I664 WeakPolarHBondContact O-CG2 3.39Å; V662-I664 VanDerWaalsContact C-N 3.34Å; V662-I664 PolarHBondContact O-N 2.76Å; I664-F666 PolarHBondContact O-N 3.21Å; I664-F666 VanDerWaalsContact O-N 3.15Å; I664-A667 HydrophobicContact CD1-CB 4.06Å; I664-A667 VanDerWaalsContact O-CB 3.27Å; I664-A667 WeakPolarHBondContact O-CB 3.39Å; I664-A667 PolarHBondContact O-N 3.27Å; I664-V682 HydrophobicContact CD1-CB 4.5Å; I664-V682 HydrophobicContact CD1-CG1 4.17Å; I664-V682 HydrophobicContact CD1-CG2 3.59Å; I664-A698 HydrophobicContact CG1-CB 4.42Å; I664-F702 HydrophobicContact CG1-CE2 3.57Å; I664-F702 HydrophobicContact CG1-CZ 4.15Å; I664-F702 HydrophobicContact CG2-CE2 4.18Å; I664-F702 HydrophobicContact CG2-CZ 4.23Å; I664-L738 HydrophobicContact CD1-CD1 3.9Å; I664-L738 HydrophobicContact CD1-CD2 3.69Å; I664-L738 HydrophobicContact CD1-CG 4.38Å; I664-L738 HydrophobicContact CG1-CD2 4.06Å
665S86.6Confident86.7Confident34 Ų3445.7 Ų45.724%0.23823%0.232CC..Hα-helixtrans-58.2-27.5172.377.60000112.3S661 V662 L663 A667 T668 L669S661-S665 PolarHBondContact O-N 3.32Å; V662-S665 WeakPolarHBondContact O-CB 3.46Å; V662-S665 PolarHBondContact O-N 3.29Å; V662-S665 PolarHBondContact O-OG 3.38Å; L663-S665 VanDerWaalsContact C-N 3.26Å; L663-S665 PolarHBondContact O-N 2.94Å; S665-A667 VanDerWaalsContact C-N 3.33Å; S665-T668 PolarHBondContact O-N 3.42Å; S665-T668 PolarHBondContact O-OG1 2.71Å; S665-L669 WeakPolarHBondContact O-CG 3.32Å
666F88.7Confident86.9Confident0 Ų047.7 Ų47.70%024%0.243CC..THydrogen-bonded Turntrans-72.7-25.2175.4-54.9-35.9000113.4R629 C632 F633 L642 F645 V662 L663 I664 T668 L669 L674 S675 T678R629-F666 HydrophobicContact CB-CZ 4.28Å; R629-F666 HydrophobicContact CG-CE1 3.74Å; R629-F666 HydrophobicContact CG-CZ 3.77Å; C632-F666 HydrophobicContact CB-CE2 4.15Å; C632-F666 HydrophobicContact CB-CZ 4.06Å; F633-F666 HydrophobicContact CE2-CE1 4.25Å; F633-F666 HydrophobicContact CZ-CE1 4.39Å; L642-F666 HydrophobicContact CD2-CD2 4.45Å; F645-F666 HydrophobicContact CD2-CE2 4.28Å; F645-F666 AromaticContact CE2-CE2 3.71Å; F645-F666 HydrophobicContact CE2-CE2 3.71Å; F645-F666 HydrophobicContact CE2-CZ 4.14Å; F645-F666 HydrophobicContact CZ-CE2 4.18Å; F645-F666 HydrophobicContact CZ-CZ 4.4Å; V662-F666 HydrophobicContact CG1-CZ 4.29Å; L663-F666 HydrophobicContact CD1-CD2 4.12Å; L663-F666 HydrophobicContact CD1-CE2 4.5Å; L663-F666 VanDerWaalsContact O-CB 3.31Å; L663-F666 WeakPolarHBondContact O-CB 3.42Å; L663-F666 WeakPolarHBondContact O-CD2 3.41Å; L663-F666 PolarHBondContact O-N 3.35Å; L663-F666 VanDerWaalsContact O-N 3.1Å; I664-F666 PolarHBondContact O-N 3.21Å; I664-F666 VanDerWaalsContact O-N 3.15Å; F666-T668 PolarHBondContact O-N 2.92Å; F666-L669 HydrophobicContact CB-CD1 4.46Å; F666-L669 HydrophobicContact CD1-CD1 3.91Å; F666-L669 PolarHBondContact O-N 2.99Å; F666-L674 HydrophobicContact CB-CD1 4.4Å; F666-L674 HydrophobicContact CB-CD2 4.08Å; F666-L674 HydrophobicContact CB-CG 3.99Å; F666-L674 HydrophobicContact CD1-CD2 4.05Å; F666-L674 HydrophobicContact CD2-CD1 4.45Å; F666-L674 HydrophobicContact CG-CD1 4.44Å; F666-L674 HydrophobicContact CG-CD2 4.07Å; F666-L674 HydrophobicContact CG-CG 4.34Å; F666-S675 WeakPolarHBondContact O-CA 2.97Å; F666-T678 HydrophobicContact CB-CG2 4.1Å; F666-T678 WeakPolarHBondContact CB-OG1 3.49Å
667A85.8Confident86.9Confident1 Ų149.4 Ų49.41%0.00825%0.249CC..THydrogen-bonded Turntrans-67-30.3177.900000111.3I664 S665 S675 T678 L679I664-A667 HydrophobicContact CD1-CB 4.06Å; I664-A667 VanDerWaalsContact O-CB 3.27Å; I664-A667 WeakPolarHBondContact O-CB 3.39Å; I664-A667 PolarHBondContact O-N 3.27Å; S665-A667 VanDerWaalsContact C-N 3.33Å; A667-S675 PolarHBondContact O-OG 2.75Å; A667-T678 HydrophobicContact CB-CG2 4.08Å; A667-L679 HydrophobicContact CB-CD2 4.03Å; A667-L679 HydrophobicContact CB-CG 4.4Å
668T80.7Confident87.2Confident11 Ų1140.2 Ų40.27%0.06722%0.215CC..THydrogen-bonded Turntrans-93.27.7179.855.30000114.2S665 F666 F702 L715 L734S665-T668 PolarHBondContact O-N 3.42Å; S665-T668 PolarHBondContact O-OG1 2.71Å; F666-T668 PolarHBondContact O-N 2.92Å; T668-F702 HydrophobicContact CG2-CD1 3.97Å; T668-F702 HydrophobicContact CG2-CE1 3.39Å; T668-F702 HydrophobicContact CG2-CZ 3.72Å; T668-L715 HydrophobicContact CG2-CD2 4.35Å; T668-L734 WeakPolarHBondContact O-CD2 3.41Å
669L81Confident87.5Confident52 Ų5234.2 Ų34.227%0.27219%0.187SC..SBendtrans-81153.6174.1-64.6176.5000111.8F633 S665 F666 N671 L674 R737F633-L669 HydrophobicContact CE1-CD1 3.73Å; F633-L669 HydrophobicContact CZ-CD1 3.81Å; S665-L669 WeakPolarHBondContact O-CG 3.32Å; F666-L669 HydrophobicContact CB-CD1 4.46Å; F666-L669 HydrophobicContact CD1-CD1 3.91Å; F666-L669 PolarHBondContact O-N 2.99Å; L669-N671 PolarHBondContact O-N 3.29Å; L669-L674 HydrophobicContact CD1-CD2 4.01Å; L669-R737 PolarHBondContact O-NH1 3.05Å; L669-R737 VanDerWaalsContact O-NH1 3.07Å
670N75Confident87.6Confident95 Ų9542.3 Ų42.351%0.50822%0.217SC..SBendtrans-68.1-15.4171.7-75.5-24.9000113.3V672N670-V672 PolarHBondContact O-N 2.9Å
671N83.1Confident87.6Confident57 Ų5743.1 Ų43.131%0.30522%0.222SC..  trans-69.399.6174.5-174-27.6000110.6L669 K673 L674 S675L669-N671 PolarHBondContact O-N 3.29Å; N671-K673 PolarHBondContact O-N 3.23Å; N671-K673 PolarHBondContact OD1-N 3.44Å; N671-L674 HydrophobicContact CB-CB 4.17Å; N671-L674 PolarHBondContact O-N 2.85Å; N671-L674 PolarHBondContact OD1-N 3.26Å; N671-L674 VanDerWaalsContact OD1-N 3.15Å; N671-S675 WeakPolarHBondContact O-CB 3.43Å; N671-S675 PolarHBondContact O-N 2.84Å
672V83.2Confident87.8Confident97 Ų9739.9 Ų39.959%0.58820%0.199SC*.Hα-helixtrans-61-40.2-175.9-176.70000112.3N670 T676N670-V672 PolarHBondContact O-N 2.9Å; V672-T676 HydrophobicContact CG1-CG2 4.12Å; V672-T676 WeakPolarHBondContact O-CB 3.41Å; V672-T676 WeakPolarHBondContact O-CG2 3.39Å; V672-T676 PolarHBondContact O-N 3.01Å; V672-T676 PolarHBondContact O-OG1 3.45Å
673K85.4Confident88.1Confident109 Ų10941.2 Ų41.247%0.47420%0.203SC..Hα-helixtrans-63.9-50.3-179.7-67.8-177.6-174.6170.20111E635 N671 T676 R677E635-K673 VanDerWaalsContact CD-NZ 3.3Å; E635-K673 IonicContact OE1-NZ 3.34Å; E635-K673 PolarHBondContact OE1-NZ 2.88Å; E635-K673 IonicContact OE2-NZ 3.32Å; E635-K673 PolarHBondContact OE2-NZ 2.85Å; E635-K673 VanDerWaalsContact OE2-NZ 3.1Å; N671-K673 PolarHBondContact O-N 3.23Å; N671-K673 PolarHBondContact OD1-N 3.44Å; K673-T676 PolarHBondContact O-OG1 3.34Å; K673-R677 WeakPolarHBondContact O-CG 3.49Å; K673-R677 PolarHBondContact O-N 3.29Å
674L87.8Confident88.2Confident0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-64.8-47.4179.1-179.957.9000111C632 F633 Q638 L642 F666 L669 N671 T676 R677 T678C632-L674 HydrophobicContact CB-CD1 4.44Å; F633-L674 HydrophobicContact CD1-CD2 4.46Å; F633-L674 HydrophobicContact CE1-CD2 4.35Å; Q638-L674 HydrophobicContact CG-CD1 4.08Å; L642-L674 HydrophobicContact CD1-CD1 4.21Å; L642-L674 HydrophobicContact CD2-CD1 4.21Å; L642-L674 HydrophobicContact CG-CD1 4.5Å; F666-L674 HydrophobicContact CB-CD1 4.4Å; F666-L674 HydrophobicContact CB-CD2 4.08Å; F666-L674 HydrophobicContact CB-CG 3.99Å; F666-L674 HydrophobicContact CD1-CD2 4.05Å; F666-L674 HydrophobicContact CD2-CD1 4.45Å; F666-L674 HydrophobicContact CG-CD1 4.44Å; F666-L674 HydrophobicContact CG-CD2 4.07Å; F666-L674 HydrophobicContact CG-CG 4.34Å; L669-L674 HydrophobicContact CD1-CD2 4.01Å; N671-L674 HydrophobicContact CB-CB 4.17Å; N671-L674 PolarHBondContact O-N 2.85Å; N671-L674 PolarHBondContact OD1-N 3.26Å; N671-L674 VanDerWaalsContact OD1-N 3.15Å; L674-T676 PolarHBondContact O-N 2.91Å; L674-R677 PolarHBondContact O-N 2.96Å; L674-T678 WeakPolarHBondContact O-CB 3.46Å; L674-T678 PolarHBondContact O-N 2.7Å; L674-T678 PolarHBondContact O-OG1 3.49Å
675S89.5Confident88.3Confident1 Ų144.4 Ų44.41%0.00722%0.218CC..Hα-helixtrans-58.9-46.7-180176.30000111.9F666 A667 N671 R677 T678 L679 R737F666-S675 WeakPolarHBondContact O-CA 2.97Å; A667-S675 PolarHBondContact O-OG 2.75Å; N671-S675 WeakPolarHBondContact O-CB 3.43Å; N671-S675 PolarHBondContact O-N 2.84Å; S675-R677 PolarHBondContact O-N 2.69Å; S675-T678 PolarHBondContact O-N 3.37Å; S675-L679 WeakPolarHBondContact O-CB 3.48Å; S675-L679 VanDerWaalsContact O-CG 3.24Å; S675-L679 WeakPolarHBondContact O-CG 3.42Å; S675-L679 PolarHBondContact O-N 3.27Å; S675-R737 WeakPolarHBondContact OG-CD 3.3Å; S675-R737 PolarHBondContact OG-NH1 2.79Å
676T89.7Confident88.6Confident61 Ų6143.3 Ų43.337%0.37421%0.209SC..Hα-helixtrans-65-39.5179.252.20000113V672 K673 L674 L679 R680V672-T676 HydrophobicContact CG1-CG2 4.12Å; V672-T676 WeakPolarHBondContact O-CB 3.41Å; V672-T676 WeakPolarHBondContact O-CG2 3.39Å; V672-T676 PolarHBondContact O-N 3.01Å; V672-T676 PolarHBondContact O-OG1 3.45Å; K673-T676 PolarHBondContact O-OG1 3.34Å; L674-T676 PolarHBondContact O-N 2.91Å; T676-L679 PolarHBondContact O-N 3.12Å; T676-R680 WeakPolarHBondContact O-CG 3.29Å; T676-R680 PolarHBondContact O-N 3Å
677R91.6Very high88.7Confident75 Ų7548.3 Ų48.328%0.28324%0.235SC..Hα-helixtrans-66.1-43.2174.8-71.2172.1170.2-159.5-24.5111.7D639 L642 K673 L674 S675 L679 R680 L681D639-R677 VanDerWaalsContact CG-CZ 3.48Å; D639-R677 VanDerWaalsContact CG-NH1 3.32Å; D639-R677 IonicContact OD1-CZ 3.13Å; D639-R677 IonicContact OD1-NE 2.69Å; D639-R677 PolarHBondContact OD1-NE 3.08Å; D639-R677 IonicContact OD1-NH1 2.91Å; D639-R677 PolarHBondContact OD1-NH1 3.12Å; D639-R677 IonicContact OD1-NH2 2.73Å; D639-R677 PolarHBondContact OD1-NH2 2.92Å; D639-R677 IonicContact OD2-CZ 3.22Å; D639-R677 VanDerWaalsContact OD2-CZ 3.27Å; D639-R677 IonicContact OD2-NH1 3.49Å; D639-R677 PolarHBondContact OD2-NH1 3.49Å; D639-R677 VanDerWaalsContact OD2-NH1 3.17Å; D639-R677 IonicContact OD2-NH2 3.36Å; D639-R677 PolarHBondContact OD2-NH2 3.38Å; L642-R677 HydrophobicContact CD1-CB 3.65Å; K673-R677 WeakPolarHBondContact O-CG 3.49Å; K673-R677 PolarHBondContact O-N 3.29Å; L674-R677 PolarHBondContact O-N 2.96Å; S675-R677 PolarHBondContact O-N 2.69Å; R677-L679 PolarHBondContact O-N 2.69Å; R677-R680 PolarHBondContact O-N 3.5Å; R677-L681 PolarHBondContact O-N 2.96Å
678T93.7Very high89Confident0 Ų050 Ų500%025%0.245CC..Hα-helixtrans-60-44.3174.4-64.10000111.6L663 F666 A667 L674 S675 R680 L681 V682L663-T678 HydrophobicContact CD1-CG2 4.06Å; L663-T678 HydrophobicContact CG-CG2 4.08Å; L663-T678 VanDerWaalsContact O-CG2 3.24Å; L663-T678 WeakPolarHBondContact O-CG2 3.48Å; F666-T678 HydrophobicContact CB-CG2 4.1Å; F666-T678 WeakPolarHBondContact CB-OG1 3.49Å; A667-T678 HydrophobicContact CB-CG2 4.08Å; L674-T678 WeakPolarHBondContact O-CB 3.46Å; L674-T678 PolarHBondContact O-N 2.7Å; L674-T678 PolarHBondContact O-OG1 3.49Å; S675-T678 PolarHBondContact O-N 3.37Å; T678-R680 VanDerWaalsContact C-N 3.32Å; T678-R680 PolarHBondContact O-N 2.92Å; T678-L681 WeakPolarHBondContact O-CB 3.48Å; T678-L681 PolarHBondContact O-N 3.42Å; T678-L681 VanDerWaalsContact O-N 3.1Å; T678-V682 HydrophobicContact CG2-CG2 4.27Å; T678-V682 VanDerWaalsContact O-CG2 3.3Å; T678-V682 WeakPolarHBondContact O-CG2 3.37Å; T678-V682 PolarHBondContact O-N 3.46Å
679L93.2Very high89.2Confident9 Ų957.2 Ų57.25%0.04728%0.278CS..Hα-helixtrans-60.2-40.1179-73.6169.5000112.4A667 S675 T676 R677 L681 V682 E683 R737 L738 H741A667-L679 HydrophobicContact CB-CD2 4.03Å; A667-L679 HydrophobicContact CB-CG 4.4Å; S675-L679 WeakPolarHBondContact O-CB 3.48Å; S675-L679 VanDerWaalsContact O-CG 3.24Å; S675-L679 WeakPolarHBondContact O-CG 3.42Å; S675-L679 PolarHBondContact O-N 3.27Å; T676-L679 PolarHBondContact O-N 3.12Å; R677-L679 PolarHBondContact O-N 2.69Å; L679-L681 VanDerWaalsContact C-N 3.33Å; L679-L681 PolarHBondContact O-N 3.28Å; L679-V682 PolarHBondContact O-N 3.32Å; L679-V682 VanDerWaalsContact O-N 3.15Å; L679-E683 PolarHBondContact O-N 3.01Å; L679-R737 HydrophobicContact CD1-CG 3.81Å; L679-L738 HydrophobicContact CD2-CB 4.44Å; L679-L738 HydrophobicContact CD2-CD1 3.82Å; L679-H741 HydrophobicContact CD1-CB 4.48Å; L679-H741 HydrophobicContact CD2-CB 4.19Å; L679-H741 PolarHBondContact O-NE2 3.26Å
680R92.8Very high89.5Confident171 Ų17160.2 Ų60.265%0.64529%0.287SS*.Hα-helixtrans-61.6-39173.8-68.6176.4-174.7172.21.7112.7T676 R677 T678 E683 E684T676-R680 WeakPolarHBondContact O-CG 3.29Å; T676-R680 PolarHBondContact O-N 3Å; R677-R680 PolarHBondContact O-N 3.5Å; T678-R680 VanDerWaalsContact C-N 3.32Å; T678-R680 PolarHBondContact O-N 2.92Å; R680-E683 WeakPolarHBondContact O-CB 3.27Å; R680-E683 PolarHBondContact O-N 3Å; R680-E684 PolarHBondContact O-N 3.46Å
681L92.6Very high90.1Very high24 Ų2455.8 Ų55.813%0.12626%0.263CS..Hα-helixtrans-68.1-37.8173.9-71.6-179.1000112L642 R646 R677 T678 L679 E683 E684 F685L642-L681 HydrophobicContact CB-CD1 3.8Å; L642-L681 HydrophobicContact CD2-CD1 4.24Å; L642-L681 HydrophobicContact CG-CD1 4.45Å; R646-L681 HydrophobicContact CB-CD2 4.33Å; R646-L681 HydrophobicContact CG-CD2 4.43Å; R677-L681 PolarHBondContact O-N 2.96Å; T678-L681 WeakPolarHBondContact O-CB 3.48Å; T678-L681 PolarHBondContact O-N 3.42Å; T678-L681 VanDerWaalsContact O-N 3.1Å; L679-L681 VanDerWaalsContact C-N 3.33Å; L679-L681 PolarHBondContact O-N 3.28Å; L681-E683 VanDerWaalsContact C-N 3.3Å; L681-E683 PolarHBondContact O-N 3.45Å; L681-E684 WeakPolarHBondContact O-CB 3.35Å; L681-E684 PolarHBondContact O-N 3.36Å; L681-F685 HydrophobicContact CB-CE2 4.44Å; L681-F685 WeakPolarHBondContact O-CD2 3.38Å; L681-F685 PolarHBondContact O-N 3.14Å
682V94.1Very high90.5Very high0 Ų057.8 Ų57.80%027%0.266CS..Hα-helixtrans-65.7-35.7176.3177.60000111.4F660 I664 T678 L679 F685 Y686 V695 L738 L742F660-V682 HydrophobicContact CE2-CG2 4.36Å; F660-V682 HydrophobicContact CZ-CG1 4.24Å; F660-V682 HydrophobicContact CZ-CG2 4.43Å; I664-V682 HydrophobicContact CD1-CB 4.5Å; I664-V682 HydrophobicContact CD1-CG1 4.17Å; I664-V682 HydrophobicContact CD1-CG2 3.59Å; T678-V682 HydrophobicContact CG2-CG2 4.27Å; T678-V682 VanDerWaalsContact O-CG2 3.3Å; T678-V682 WeakPolarHBondContact O-CG2 3.37Å; T678-V682 PolarHBondContact O-N 3.46Å; L679-V682 PolarHBondContact O-N 3.32Å; L679-V682 VanDerWaalsContact O-N 3.15Å; V682-F685 CarbonylContact O-C 3.4Å; V682-F685 PolarHBondContact O-N 3.38Å; V682-Y686 WeakPolarHBondContact O-CB 3.25Å; V682-Y686 PolarHBondContact O-N 3.35Å; V682-V695 HydrophobicContact CG1-CG1 3.6Å; V682-V695 HydrophobicContact CG1-CG2 4.39Å; V682-L738 HydrophobicContact CB-CD1 4.46Å; V682-L738 HydrophobicContact CG1-CD1 3.7Å; V682-L742 HydrophobicContact CG1-CD1 4.47Å
683E93.5Very high90.8Very high58 Ų5856.7 Ų56.727%0.27126%0.262SS..Hα-helixtrans-57.9-47.9169.1160.8172.4-161.400111.5L679 R680 L681 F685 Y686 L687 H741 L745L679-E683 PolarHBondContact O-N 3.01Å; R680-E683 WeakPolarHBondContact O-CB 3.27Å; R680-E683 PolarHBondContact O-N 3Å; L681-E683 VanDerWaalsContact C-N 3.3Å; L681-E683 PolarHBondContact O-N 3.45Å; E683-F685 VanDerWaalsContact C-N 3.3Å; E683-F685 PolarHBondContact O-N 3.43Å; E683-Y686 WeakPolarHBondContact O-CB 3.32Å; E683-Y686 PolarHBondContact O-N 3.26Å; E683-L687 HydrophobicContact CG-CD1 4.36Å; E683-L687 WeakPolarHBondContact O-CG 3.39Å; E683-L687 PolarHBondContact O-N 2.97Å; E683-H741 IonicContact OE2-NE2 3.29Å; E683-L745 HydrophobicContact CB-CD1 3.88Å; E683-L745 HydrophobicContact CG-CD1 3.48Å; E683-L745 VanDerWaalsContact CG-CD1 3.48Å; E683-L745 VanDerWaalsContact OE1-CD2 3.29Å; E683-L745 WeakPolarHBondContact OE1-CD2 3.35Å
684E93.3Very high91Very high77 Ų7752.6 Ų52.636%0.3625%0.246SC..Hα-helixtrans-57.5-42.5174.9-170.4-174.3162.300112R680 L681 L687 T688R680-E684 PolarHBondContact O-N 3.46Å; L681-E684 WeakPolarHBondContact O-CB 3.35Å; L681-E684 PolarHBondContact O-N 3.36Å; E684-L687 PolarHBondContact O-N 2.83Å; E684-T688 PolarHBondContact O-N 3.47Å; E684-T688 PolarHBondContact O-OG1 2.94Å
685F93.4Very high91.3Very high1 Ų152.6 Ų52.60%0.00425%0.246CC..Hα-helixtrans-69-29.3175-68.8-56.3000113.7R646 I649 M650 F660 L663 L681 V682 E683 T691 R692 V695R646-F685 HydrophobicContact CB-CZ 4.5Å; R646-F685 HydrophobicContact CG-CZ 4.34Å; I649-F685 HydrophobicContact CB-CE1 3.87Å; I649-F685 HydrophobicContact CB-CZ 3.67Å; I649-F685 HydrophobicContact CD1-CE2 3.98Å; I649-F685 HydrophobicContact CD1-CZ 3.76Å; I649-F685 HydrophobicContact CG1-CZ 4.31Å; I649-F685 HydrophobicContact CG2-CD1 4.1Å; I649-F685 HydrophobicContact CG2-CE1 3.39Å; I649-F685 HydrophobicContact CG2-CE2 4.37Å; I649-F685 HydrophobicContact CG2-CZ 3.54Å; M650-F685 HydrophobicContact CE-CD1 3.42Å; M650-F685 VanDerWaalsContact CE-CD1 3.42Å; M650-F685 HydrophobicContact CE-CE1 3.41Å; M650-F685 VanDerWaalsContact CE-CE1 3.41Å; M650-F685 HydrophobicContact CG-CE1 4.05Å; M650-F685 HydrophobicContact SD-CD1 3.94Å; M650-F685 HydrophobicContact SD-CE1 3.65Å; F660-F685 HydrophobicContact CD2-CD2 4.27Å; F660-F685 HydrophobicContact CE2-CB 4.38Å; F660-F685 HydrophobicContact CE2-CD2 4.02Å; F660-F685 HydrophobicContact CE2-CG 4.42Å; L663-F685 HydrophobicContact CD2-CD2 4.2Å; L663-F685 HydrophobicContact CD2-CE2 3.54Å; L663-F685 HydrophobicContact CD2-CZ 4.49Å; L681-F685 HydrophobicContact CB-CE2 4.44Å; L681-F685 WeakPolarHBondContact O-CD2 3.38Å; L681-F685 PolarHBondContact O-N 3.14Å; V682-F685 CarbonylContact O-C 3.4Å; V682-F685 PolarHBondContact O-N 3.38Å; E683-F685 VanDerWaalsContact C-N 3.3Å; E683-F685 PolarHBondContact O-N 3.43Å; F685-T691 HydrophobicContact CD1-CG2 4.01Å; F685-T691 WeakPolarHBondContact O-CB 3.35Å; F685-T691 PolarHBondContact O-OG1 3.28Å; F685-R692 PolarHBondContact O-N 3.09Å; F685-V695 HydrophobicContact CB-CG2 3.81Å
686Y93Very high91.4Very high11 Ų1156.7 Ų56.74%0.04326%0.261CS..Hα-helixtrans-72.1-40.1176.4-170.6-102.6000111.5V682 E683 T688 R692 V695 L742 D746V682-Y686 WeakPolarHBondContact O-CB 3.25Å; V682-Y686 PolarHBondContact O-N 3.35Å; E683-Y686 WeakPolarHBondContact O-CB 3.32Å; E683-Y686 PolarHBondContact O-N 3.26Å; Y686-T688 VanDerWaalsContact C-N 3.26Å; Y686-T688 PolarHBondContact O-N 3.32Å; Y686-R692 HydrophobicContact CD2-CG 3.9Å; Y686-R692 HydrophobicContact CE2-CG 3.76Å; Y686-R692 HydrophobicContact CG-CG 4.48Å; Y686-R692 WeakPolarHBondContact O-CG 3.25Å; Y686-R692 PolarHBondContact O-NE 3.4Å; Y686-V695 HydrophobicContact CD2-CB 4.03Å; Y686-V695 HydrophobicContact CD2-CG1 3.78Å; Y686-V695 HydrophobicContact CG-CG1 4.47Å; Y686-L742 HydrophobicContact CD1-CD2 4.49Å; Y686-L742 HydrophobicContact CD2-CD1 4.4Å; Y686-L742 HydrophobicContact CG-CD2 4.09Å; Y686-D746 HydrophobicContact CE1-CB 3.73Å; Y686-D746 PolarHBondContact OH-OD2 3.42Å
687L91.1Very high91.4Very high104 Ų10457.2 Ų57.255%0.54527%0.267SS..Hα-helixtrans-64.2-33.7175.6-65.9174.2000111.5E683 E684 E689 R692E683-L687 HydrophobicContact CG-CD1 4.36Å; E683-L687 WeakPolarHBondContact O-CG 3.39Å; E683-L687 PolarHBondContact O-N 2.97Å; E684-L687 PolarHBondContact O-N 2.83Å; L687-E689 PolarHBondContact O-N 3.4Å; L687-R692 PolarHBondContact O-NH2 3.07Å
688T91.2Very high91.3Very high37 Ų3754 Ų5423%0.22726%0.256CS..SBendtrans-74.6118.5177.8-58.20000112.6M650 E684 Y686 Y690 T691 R692M650-T688 HydrophobicContact CE-CG2 4.47Å; E684-T688 PolarHBondContact O-N 3.47Å; E684-T688 PolarHBondContact O-OG1 2.94Å; Y686-T688 VanDerWaalsContact C-N 3.26Å; Y686-T688 PolarHBondContact O-N 3.32Å; T688-Y690 HydrophobicContact CG2-CD1 3.75Å; T688-Y690 HydrophobicContact CG2-CE1 3.3Å; T688-Y690 HydrophobicContact CG2-CE2 4.19Å; T688-Y690 HydrophobicContact CG2-CG 4.35Å; T688-Y690 PolarHBondContact O-N 3.32Å; T688-T691 VanDerWaalsContact CB-OG1 3.24Å; T688-T691 WeakPolarHBondContact CB-OG1 3.37Å; T688-T691 WeakPolarHBondContact CG2-OG1 3.41Å; T688-T691 PolarHBondContact O-N 2.89Å; T688-T691 PolarHBondContact O-OG1 3.21Å; T688-R692 PolarHBondContact O-N 3.2Å
689E84.8Confident91.2Very high162 Ų16254 Ų5476%0.75726%0.257SS*.Hα-helixtrans-55.9-43.9-169-67.2-174.1165.400115.1L687 T691L687-E689 PolarHBondContact O-N 3.4Å; E689-T691 VanDerWaalsContact C-N 3.33Å; E689-T691 PolarHBondContact O-N 3.44Å
690Y87.5Confident91.1Very high116 Ų11657.1 Ų57.146%0.45527%0.273SS..Hα-helixtrans-80-12.4-174.263.5-97.6000114M650 T688M650-Y690 HydrophobicContact SD-CE2 4.27Å; M650-Y690 PolarHBondContact SD-OH 2.9Å; T688-Y690 HydrophobicContact CG2-CD1 3.75Å; T688-Y690 HydrophobicContact CG2-CE1 3.3Å; T688-Y690 HydrophobicContact CG2-CE2 4.19Å; T688-Y690 HydrophobicContact CG2-CG 4.35Å; T688-Y690 PolarHBondContact O-N 3.32Å
691T88.5Confident90.9Very high1 Ų153.7 Ų53.71%0.00626%0.264CS..Hα-helixtrans-101.7-20.7174.239.50000112.5F685 T688 E689 S693 I694 V695F685-T691 HydrophobicContact CD1-CG2 4.01Å; F685-T691 WeakPolarHBondContact O-CB 3.35Å; F685-T691 PolarHBondContact O-OG1 3.28Å; T688-T691 VanDerWaalsContact CB-OG1 3.24Å; T688-T691 WeakPolarHBondContact CB-OG1 3.37Å; T688-T691 WeakPolarHBondContact CG2-OG1 3.41Å; T688-T691 PolarHBondContact O-N 2.89Å; T688-T691 PolarHBondContact O-OG1 3.21Å; E689-T691 VanDerWaalsContact C-N 3.33Å; E689-T691 PolarHBondContact O-N 3.44Å; T691-S693 PolarHBondContact O-N 3.02Å; T691-S693 VanDerWaalsContact O-N 3.12Å; T691-I694 WeakPolarHBondContact O-CB 3.44Å; T691-I694 PolarHBondContact O-N 3.22Å; T691-V695 PolarHBondContact O-N 2.94Å; T691-V695 VanDerWaalsContact O-N 3.15Å
692R91.1Very high90.8Very high100 Ų10053.1 Ų53.138%0.37726%0.261SS..Hα-helixtrans-50.5-39.5-179.2-169.9178.3-62.5161.84.7113.8F685 Y686 L687 T688 I694 V695 R696F685-R692 PolarHBondContact O-N 3.09Å; Y686-R692 HydrophobicContact CD2-CG 3.9Å; Y686-R692 HydrophobicContact CE2-CG 3.76Å; Y686-R692 HydrophobicContact CG-CG 4.48Å; Y686-R692 WeakPolarHBondContact O-CG 3.25Å; Y686-R692 PolarHBondContact O-NE 3.4Å; L687-R692 PolarHBondContact O-NH2 3.07Å; T688-R692 PolarHBondContact O-N 3.2Å; R692-I694 VanDerWaalsContact C-N 3.35Å; R692-I694 PolarHBondContact O-N 3.33Å; R692-V695 PolarHBondContact O-N 3.26Å; R692-R696 WeakPolarHBondContact O-CB 3.23Å; R692-R696 PolarHBondContact O-N 2.77Å
693S88.8Confident90.7Very high73 Ų7353.1 Ų53.151%0.5126%0.261SS..Hα-helixtrans-63.7-39.2177.758.70000112.6T691 R696 S697T691-S693 PolarHBondContact O-N 3.02Å; T691-S693 VanDerWaalsContact O-N 3.12Å; S693-R696 PolarHBondContact O-N 3.39Å; S693-S697 WeakPolarHBondContact O-CB 3.3Å; S693-S697 PolarHBondContact O-N 3.01Å; S693-S697 PolarHBondContact O-OG 3.24Å; S693-S697 VanDerWaalsContact O-OG 3.07Å
694I90.2Very high90.6Very high24 Ų2455.4 Ų55.412%0.12327%0.271CS..Hα-helixtrans-66.7-44.5178.2-55.9174.5000109.8R656 R657 F660 T691 R692 S697 A698R656-I694 HydrophobicContact CG-CD1 3.77Å; R657-I694 HydrophobicContact CG-CD1 4.14Å; R657-I694 HydrophobicContact CG-CG1 4.43Å; F660-I694 HydrophobicContact CB-CG2 4.14Å; F660-I694 HydrophobicContact CD1-CG2 3.51Å; F660-I694 HydrophobicContact CE1-CG2 4.07Å; F660-I694 HydrophobicContact CG-CG2 3.81Å; T691-I694 WeakPolarHBondContact O-CB 3.44Å; T691-I694 PolarHBondContact O-N 3.22Å; R692-I694 VanDerWaalsContact C-N 3.35Å; R692-I694 PolarHBondContact O-N 3.33Å; I694-S697 PolarHBondContact O-N 3.26Å; I694-A698 PolarHBondContact O-N 3.09Å
695V93.2Very high90.4Very high0 Ų053.8 Ų53.80%026%0.262CS..Hα-helixtrans-62.4-45.9176.6-1770000110.8F660 V682 F685 Y686 T691 R692 S697 A698 V699 L742F660-V695 HydrophobicContact CE2-CG2 3.83Å; F660-V695 HydrophobicContact CZ-CB 4.18Å; F660-V695 HydrophobicContact CZ-CG1 4.42Å; F660-V695 HydrophobicContact CZ-CG2 3.66Å; V682-V695 HydrophobicContact CG1-CG1 3.6Å; V682-V695 HydrophobicContact CG1-CG2 4.39Å; F685-V695 HydrophobicContact CB-CG2 3.81Å; Y686-V695 HydrophobicContact CD2-CB 4.03Å; Y686-V695 HydrophobicContact CD2-CG1 3.78Å; Y686-V695 HydrophobicContact CG-CG1 4.47Å; T691-V695 PolarHBondContact O-N 2.94Å; T691-V695 VanDerWaalsContact O-N 3.15Å; R692-V695 PolarHBondContact O-N 3.26Å; V695-S697 VanDerWaalsContact C-N 3.32Å; V695-S697 PolarHBondContact O-N 3.36Å; V695-A698 PolarHBondContact O-N 2.97Å; V695-A698 VanDerWaalsContact O-N 3.14Å; V695-V699 WeakPolarHBondContact O-CG2 3.47Å; V695-V699 PolarHBondContact O-N 3.34Å; V695-L742 HydrophobicContact CG1-CD1 3.58Å
696R91.8Very high90.2Very high86 Ų8653.8 Ų53.833%0.32526%0.262SS..Hα-helixtrans-62.7-38.8178.4-170.8179.917893.8-1.2112R692 S693 A698 V699 L700R692-R696 WeakPolarHBondContact O-CB 3.23Å; R692-R696 PolarHBondContact O-N 2.77Å; S693-R696 PolarHBondContact O-N 3.39Å; R696-A698 VanDerWaalsContact C-N 3.35Å; R696-V699 PolarHBondContact O-N 3.07Å; R696-L700 WeakPolarHBondContact O-CG 3.5Å; R696-L700 PolarHBondContact O-N 3.34Å
697S89.7Confident90Very high73 Ų7356.5 Ų56.551%0.5127%0.274SS..Hα-helixtrans-60.7-43.4173-680000111.7S693 I694 V695 L700 E701S693-S697 WeakPolarHBondContact O-CB 3.3Å; S693-S697 PolarHBondContact O-N 3.01Å; S693-S697 PolarHBondContact O-OG 3.24Å; S693-S697 VanDerWaalsContact O-OG 3.07Å; I694-S697 PolarHBondContact O-N 3.26Å; V695-S697 VanDerWaalsContact C-N 3.32Å; V695-S697 PolarHBondContact O-N 3.36Å; S697-L700 PolarHBondContact O-N 2.87Å; S697-E701 WeakPolarHBondContact O-CB 3.47Å; S697-E701 PolarHBondContact O-N 3.06Å
698A89.8Confident89.8Confident6 Ų654.7 Ų54.75%0.0527%0.265CS..Hα-helixtrans-65-41.2176.600000112.4F660 I664 I694 V695 R696 L700 E701 F702F660-A698 HydrophobicContact CE1-CB 3.81Å; I664-A698 HydrophobicContact CG1-CB 4.42Å; I694-A698 PolarHBondContact O-N 3.09Å; V695-A698 PolarHBondContact O-N 2.97Å; V695-A698 VanDerWaalsContact O-N 3.14Å; R696-A698 VanDerWaalsContact C-N 3.35Å; A698-L700 VanDerWaalsContact C-N 3.32Å; A698-L700 PolarHBondContact O-N 3.4Å; A698-E701 WeakPolarHBondContact O-CB 3.45Å; A698-E701 PolarHBondContact O-N 3.05Å; A698-F702 HydrophobicContact CB-CE2 4.49Å; A698-F702 WeakPolarHBondContact O-CD2 3.43Å; A698-F702 PolarHBondContact O-N 2.79Å
699V92.2Very high89.3Confident1 Ų158 Ų581%0.00629%0.287CS..Hα-helixtrans-57.5-46.8173.7174.10000111V695 R696 E701 F702 L703 L738 F739 L742V695-V699 WeakPolarHBondContact O-CG2 3.47Å; V695-V699 PolarHBondContact O-N 3.34Å; R696-V699 PolarHBondContact O-N 3.07Å; V699-E701 VanDerWaalsContact C-N 3.31Å; V699-E701 PolarHBondContact O-N 2.89Å; V699-F702 PolarHBondContact O-N 3.38Å; V699-L703 HydrophobicContact CG1-CD1 4.08Å; V699-L703 HydrophobicContact CG1-CG 4.44Å; V699-L703 WeakPolarHBondContact O-CB 3.38Å; V699-L703 WeakPolarHBondContact O-CG 3.28Å; V699-L703 PolarHBondContact O-N 2.92Å; V699-L738 HydrophobicContact CG2-CD2 3.8Å; V699-L738 HydrophobicContact CG2-CG 3.96Å; V699-F739 HydrophobicContact CG1-CB 4.29Å; V699-F739 HydrophobicContact CG1-CD2 3.93Å; V699-L742 HydrophobicContact CG2-CD1 3.51Å
700L90.7Very high89Confident74 Ų7452.8 Ų52.839%0.38727%0.268SS..Hα-helixtrans-62.1-40177.6-77.7170.8000112.1R696 S697 A698 L703 H704 L752R696-L700 WeakPolarHBondContact O-CG 3.5Å; R696-L700 PolarHBondContact O-N 3.34Å; S697-L700 PolarHBondContact O-N 2.87Å; A698-L700 VanDerWaalsContact C-N 3.32Å; A698-L700 PolarHBondContact O-N 3.4Å; L700-L703 PolarHBondContact O-N 2.97Å; L700-H704 VanDerWaalsContact O-CB 3.27Å; L700-H704 WeakPolarHBondContact O-CB 3.26Å; L700-H704 PolarHBondContact O-N 2.99Å; L700-L752 HydrophobicContact CD2-CB 4.22Å; L700-L752 HydrophobicContact CD2-CD1 3.7Å; L700-L752 HydrophobicContact CD2-CD2 3.74Å; L700-L752 HydrophobicContact CD2-CG 4.08Å; L700-L752 HydrophobicContact CG-CD1 4.08Å
701E89.3Confident88.7Confident100 Ų10047.6 Ų47.647%0.46725%0.249SC..Hα-helixtrans-60.9-49.2176.4-160.7-173.4148.600110.9S697 A698 V699 L703 H704 Y705S697-E701 WeakPolarHBondContact O-CB 3.47Å; S697-E701 PolarHBondContact O-N 3.06Å; A698-E701 WeakPolarHBondContact O-CB 3.45Å; A698-E701 PolarHBondContact O-N 3.05Å; V699-E701 VanDerWaalsContact C-N 3.31Å; V699-E701 PolarHBondContact O-N 2.89Å; E701-L703 PolarHBondContact O-N 3.28Å; E701-H704 WeakPolarHBondContact O-CB 3.27Å; E701-H704 PolarHBondContact O-N 3.02Å; E701-Y705 HydrophobicContact CB-CE2 4.43Å; E701-Y705 HydrophobicContact CG-CE2 3.73Å; E701-Y705 WeakPolarHBondContact O-CD2 3.4Å; E701-Y705 WeakPolarHBondContact O-CE2 3.37Å; E701-Y705 PolarHBondContact O-N 2.97Å; E701-Y705 PolarHBondContact OE1-OH 3.1Å
702F89.8Confident88.1Confident11 Ų1148.4 Ų48.45%0.04825%0.254CS..Hα-helixtrans-62.3-40.3177-73.3-63.5000113.8I664 T668 A698 V699 H704 Y705 Y714 L738I664-F702 HydrophobicContact CG1-CE2 3.57Å; I664-F702 HydrophobicContact CG1-CZ 4.15Å; I664-F702 HydrophobicContact CG2-CE2 4.18Å; I664-F702 HydrophobicContact CG2-CZ 4.23Å; T668-F702 HydrophobicContact CG2-CD1 3.97Å; T668-F702 HydrophobicContact CG2-CE1 3.39Å; T668-F702 HydrophobicContact CG2-CZ 3.72Å; A698-F702 HydrophobicContact CB-CE2 4.49Å; A698-F702 WeakPolarHBondContact O-CD2 3.43Å; A698-F702 PolarHBondContact O-N 2.79Å; V699-F702 PolarHBondContact O-N 3.38Å; F702-H704 VanDerWaalsContact C-N 3.32Å; F702-Y705 AromaticContact CD1-CD2 3.93Å; F702-Y705 HydrophobicContact CD1-CD2 3.93Å; F702-Y705 HydrophobicContact CD1-CE2 4.1Å; F702-Y705 HydrophobicContact CE1-CE2 4.39Å; F702-Y705 PolarHBondContact O-N 3.11Å; F702-Y714 HydrophobicContact CE1-CE2 4.39Å; F702-L738 HydrophobicContact CD2-CD2 3.68Å; F702-L738 HydrophobicContact CE2-CD2 3.99Å
703L92Very high87.1Confident1 Ų150.1 Ų50.11%0.00527%0.271CS..Hα-helixtrans-68.1-33.4173.9-69.6179.3000111.9V699 L700 E701 Y705 L706 L736 F739 L752 L753 V756V699-L703 HydrophobicContact CG1-CD1 4.08Å; V699-L703 HydrophobicContact CG1-CG 4.44Å; V699-L703 WeakPolarHBondContact O-CB 3.38Å; V699-L703 WeakPolarHBondContact O-CG 3.28Å; V699-L703 PolarHBondContact O-N 2.92Å; L700-L703 PolarHBondContact O-N 2.97Å; E701-L703 PolarHBondContact O-N 3.28Å; L703-Y705 VanDerWaalsContact C-N 3.3Å; L703-Y705 PolarHBondContact O-N 3.31Å; L703-L706 HydrophobicContact CD2-CD1 4.28Å; L703-L706 WeakPolarHBondContact O-CB 3.24Å; L703-L706 PolarHBondContact O-N 3.19Å; L703-L736 HydrophobicContact CD2-CD2 4.11Å; L703-F739 HydrophobicContact CD1-CD2 3.8Å; L703-F739 HydrophobicContact CD1-CE2 4.17Å; L703-F739 HydrophobicContact CD1-CG 4.35Å; L703-F739 HydrophobicContact CD2-CB 4.1Å; L703-F739 HydrophobicContact CD2-CD1 4.47Å; L703-F739 HydrophobicContact CD2-CD2 4.34Å; L703-F739 HydrophobicContact CD2-CG 4.05Å; L703-F739 HydrophobicContact CG-CD2 4.44Å; L703-L752 HydrophobicContact CD1-CB 4.1Å; L703-L753 HydrophobicContact CD2-CD1 4.2Å; L703-V756 HydrophobicContact CB-CG1 4.46Å; L703-V756 HydrophobicContact CB-CG2 3.83Å; L703-V756 WeakPolarHBondContact O-CG1 3.49Å
704H90.1Very high86.1Confident105 Ų10551.8 Ų51.849%0.48627%0.267SS..Hα-helixtrans-67.7-32.8177.2-166.577.2000111.9L700 E701 F702 L706 K707L700-H704 VanDerWaalsContact O-CB 3.27Å; L700-H704 WeakPolarHBondContact O-CB 3.26Å; L700-H704 PolarHBondContact O-N 2.99Å; E701-H704 WeakPolarHBondContact O-CB 3.27Å; E701-H704 PolarHBondContact O-N 3.02Å; F702-H704 VanDerWaalsContact C-N 3.32Å; H704-L706 PolarHBondContact O-N 3.04Å; H704-K707 VanDerWaalsContact O-CB 3.28Å; H704-K707 WeakPolarHBondContact O-CB 3.41Å; H704-K707 PolarHBondContact O-N 3.49Å
705Y89Confident84.7Confident44 Ų4451.2 Ų51.217%0.17326%0.264CS..Hα-helixtrans-58.6-33173.9-62.9-48.1000112.6E701 F702 L703 K707 L708 P712 Y714 W727E701-Y705 HydrophobicContact CB-CE2 4.43Å; E701-Y705 HydrophobicContact CG-CE2 3.73Å; E701-Y705 WeakPolarHBondContact O-CD2 3.4Å; E701-Y705 WeakPolarHBondContact O-CE2 3.37Å; E701-Y705 PolarHBondContact O-N 2.97Å; E701-Y705 PolarHBondContact OE1-OH 3.1Å; F702-Y705 AromaticContact CD1-CD2 3.93Å; F702-Y705 HydrophobicContact CD1-CD2 3.93Å; F702-Y705 HydrophobicContact CD1-CE2 4.1Å; F702-Y705 HydrophobicContact CE1-CE2 4.39Å; F702-Y705 PolarHBondContact O-N 3.11Å; L703-Y705 VanDerWaalsContact C-N 3.3Å; L703-Y705 PolarHBondContact O-N 3.31Å; Y705-K707 PolarHBondContact O-N 3Å; Y705-K707 VanDerWaalsContact O-N 3.12Å; Y705-L708 HydrophobicContact CD1-CD1 3.92Å; Y705-L708 VanDerWaalsContact O-CB 3.3Å; Y705-L708 WeakPolarHBondContact O-CB 3.35Å; Y705-L708 PolarHBondContact O-N 3.06Å; Y705-P712 HydrophobicContact CD1-CG 3.52Å; Y705-P712 HydrophobicContact CD2-CG 4.46Å; Y705-P712 HydrophobicContact CE1-CG 4.11Å; Y705-P712 HydrophobicContact CG-CG 3.72Å; Y705-Y714 WeakPolarHBondContact CD2-OH 3.21Å; Y705-Y714 HydrophobicContact CE1-CE1 4.41Å; Y705-Y714 HydrophobicContact CE2-CE1 4.33Å; Y705-Y714 AromaticContact CE2-CZ 3.78Å; Y705-Y714 WeakPolarHBondContact CE2-OH 3.42Å; Y705-Y714 AromaticContact CZ-CZ 3.99Å; Y705-Y714 VanDerWaalsContact CZ-OH 3.24Å; Y705-W727 VanDerWaalsContact O-CZ2 3.22Å; Y705-W727 WeakPolarHBondContact O-CZ2 3.19Å
706L90.6Very high82.9Confident1 Ų152.6 Ų52.61%0.00527%0.272CS..THydrogen-bonded Turntrans-66.8-10.9176.4-62.8177.2000114.3L703 H704 W727 I732 C735 L736 V756 V764L703-L706 HydrophobicContact CD2-CD1 4.28Å; L703-L706 WeakPolarHBondContact O-CB 3.24Å; L703-L706 PolarHBondContact O-N 3.19Å; H704-L706 PolarHBondContact O-N 3.04Å; L706-W727 HydrophobicContact CD2-CH2 4.02Å; L706-W727 HydrophobicContact CD2-CZ3 4.03Å; L706-I732 HydrophobicContact CD2-CG1 4.48Å; L706-I732 HydrophobicContact CD2-CG2 4.04Å; L706-C735 HydrophobicContact CD1-CB 4.39Å; L706-C735 HydrophobicContact CD2-CB 3.71Å; L706-C735 HydrophobicContact CG-CB 4.06Å; L706-L736 HydrophobicContact CD1-CD2 3.51Å; L706-L736 HydrophobicContact CD1-CG 3.99Å; L706-V756 HydrophobicContact CB-CG1 3.96Å; L706-V764 HydrophobicContact CB-CG1 4.06Å; L706-V764 HydrophobicContact CD2-CG1 4.12Å; L706-V764 HydrophobicContact CG-CG1 4.47Å
707K88.6Confident81Confident67 Ų6751 Ų5129%0.29127%0.273SS..THydrogen-bonded Turntrans-83.7-15.1172-54.3-171.7172-171.80112.7H704 Y705 T755 V756 S759H704-K707 VanDerWaalsContact O-CB 3.28Å; H704-K707 WeakPolarHBondContact O-CB 3.41Å; H704-K707 PolarHBondContact O-N 3.49Å; Y705-K707 PolarHBondContact O-N 3Å; Y705-K707 VanDerWaalsContact O-N 3.12Å; K707-T755 WeakPolarHBondContact CE-O 3.25Å; K707-T755 PolarHBondContact NZ-O 2.81Å; K707-V756 HydrophobicContact CG-CG1 4.32Å; K707-S759 VanDerWaalsContact CD-OG 3.24Å; K707-S759 WeakPolarHBondContact CD-OG 3.29Å; K707-S759 VanDerWaalsContact CE-OG 3.24Å; K707-S759 WeakPolarHBondContact CE-OG 3.32Å; K707-S759 VanDerWaalsContact CG-OG 3.31Å; K707-S759 WeakPolarHBondContact CG-OG 3.26Å
708L87.4Confident79.1Confident67 Ų6756 Ų5635%0.35129%0.288SS..SBendtrans-75.9146.9-178.7-62.7173.5000110.5Y705 S710 P712 W727Y705-L708 HydrophobicContact CD1-CD1 3.92Å; Y705-L708 VanDerWaalsContact O-CB 3.3Å; Y705-L708 WeakPolarHBondContact O-CB 3.35Å; Y705-L708 PolarHBondContact O-N 3.06Å; L708-S710 WeakPolarHBondContact CB-O 3.38Å; L708-S710 PolarHBondContact O-N 3.1Å; L708-P712 HydrophobicContact CD1-CG 4.03Å; L708-W727 PolarHBondContact O-NE1 3.07Å
709P80.7Confident77Confident107 Ų10762 Ų6270%0.69532%0.324SS*.SBendtrans-65.7-27.1179.926.5-34.6000113.1
710S77.7Confident74.7Confident52 Ų5264.1 Ų64.136%0.36434%0.339SS..SBendtrans-132.9153.2178.958.70000110.7L708 T725L708-S710 WeakPolarHBondContact CB-O 3.38Å; L708-S710 PolarHBondContact O-N 3.1Å; S710-T725 WeakPolarHBondContact CB-O 3.43Å
711P80.7Confident72.5Confident6 Ų670.2 Ų70.24%0.03937%0.366CS..  trans-64.5142.3178.125.9-33.4000111.6L715 V724 W727P711-L715 HydrophobicContact CB-CD1 4.48Å; P711-V724 HydrophobicContact CG-CG1 4.13Å; P711-W727 HydrophobicContact CB-CD2 4.09Å; P711-W727 HydrophobicContact CB-CE3 3.86Å; P711-W727 HydrophobicContact CB-CH2 3.97Å; P711-W727 HydrophobicContact CB-CZ2 4.16Å; P711-W727 HydrophobicContact CB-CZ3 3.82Å; P711-W727 HydrophobicContact CG-CD2 4.49Å
712P77.3Confident70.5Confident18 Ų1873.1 Ų73.112%0.11738%0.379CS..  trans-58.8141.6169.9-25.231.7000113.2Y705 L708 Y714 L715Y705-P712 HydrophobicContact CD1-CG 3.52Å; Y705-P712 HydrophobicContact CD2-CG 4.46Å; Y705-P712 HydrophobicContact CE1-CG 4.11Å; Y705-P712 HydrophobicContact CG-CG 3.72Å; L708-P712 HydrophobicContact CD1-CG 4.03Å; P712-Y714 HydrophobicContact CB-CD1 3.73Å; P712-Y714 HydrophobicContact CB-CE1 3.24Å; P712-Y714 HydrophobicContact CG-CE1 4Å; P712-Y714 PolarHBondContact O-N 3.18Å; P712-L715 HydrophobicContact CG-CD1 4.39Å; P712-L715 WeakPolarHBondContact O-CB 3.48Å; P712-L715 PolarHBondContact O-N 3.36Å
713D69.2Low68.7Low137 Ų13777.9 Ų77.973%0.73341%0.41SS*.G310 helixtrans-54.1-32.7-175.2-64.1-26.6000114.2L715 V716D713-L715 VanDerWaalsContact C-N 3.27Å; D713-L715 PolarHBondContact O-N 3.23Å; D713-V716 WeakPolarHBondContact O-CB 3.47Å; D713-V716 WeakPolarHBondContact O-CG2 3.45Å; D713-V716 PolarHBondContact O-N 3.02Å; D713-V716 VanDerWaalsContact O-N 3.09Å
714Y67.8Low67Low108 Ų10879.7 Ų79.742%0.42442%0.42SS..G310 helixtrans-75-12.9-17870.5-96.1000113.8F702 Y705 P712F702-Y714 HydrophobicContact CE1-CE2 4.39Å; Y705-Y714 WeakPolarHBondContact CD2-OH 3.21Å; Y705-Y714 HydrophobicContact CE1-CE1 4.41Å; Y705-Y714 HydrophobicContact CE2-CE1 4.33Å; Y705-Y714 AromaticContact CE2-CZ 3.78Å; Y705-Y714 WeakPolarHBondContact CE2-OH 3.42Å; Y705-Y714 AromaticContact CZ-CZ 3.99Å; Y705-Y714 VanDerWaalsContact CZ-OH 3.24Å; P712-Y714 HydrophobicContact CB-CD1 3.73Å; P712-Y714 HydrophobicContact CB-CE1 3.24Å; P712-Y714 HydrophobicContact CG-CE1 4Å; P712-Y714 PolarHBondContact O-N 3.18Å
715L62.1Low65.8Low12 Ų1279.6 Ų79.66%0.06343%0.428CS..G310 helixtrans-78.7-14.3169.8-66.1175.2000111.8T668 P711 P712 D713 P717 W727 C735T668-L715 HydrophobicContact CG2-CD2 4.35Å; P711-L715 HydrophobicContact CB-CD1 4.48Å; P712-L715 HydrophobicContact CG-CD1 4.39Å; P712-L715 WeakPolarHBondContact O-CB 3.48Å; P712-L715 PolarHBondContact O-N 3.36Å; D713-L715 VanDerWaalsContact C-N 3.27Å; D713-L715 PolarHBondContact O-N 3.23Å; L715-P717 WeakPolarHBondContact O-CD 3.49Å; L715-W727 HydrophobicContact CD1-CH2 4.2Å; L715-W727 HydrophobicContact CD1-CZ3 4.18Å; L715-C735 WeakPolarHBondContact CD1-SG 3.32Å
716V55.1Low65.2Low29 Ų2985.3 Ų85.318%0.17645%0.453CS..SBendtrans-74.1120.7175-174.40000107.4D713 E718 S720 V724D713-V716 WeakPolarHBondContact O-CB 3.47Å; D713-V716 WeakPolarHBondContact O-CG2 3.45Å; D713-V716 PolarHBondContact O-N 3.02Å; D713-V716 VanDerWaalsContact O-N 3.09Å; V716-E718 PolarHBondContact O-N 3.36Å; V716-S720 WeakPolarHBondContact CG1-OG 3.31Å; V716-V724 HydrophobicContact CG1-CG2 4.3Å; V716-V724 HydrophobicContact CG2-CB 4.24Å; V716-V724 HydrophobicContact CG2-CG2 4.41Å
717P51.7Low64.9Low53 Ų5385.8 Ų85.834%0.34446%0.455SS..  trans-58.5133.8177.321.5-29.3000109.6L715 T719 S720L715-P717 WeakPolarHBondContact O-CD 3.49Å; P717-T719 PolarHBondContact O-N 3.46Å; P717-S720 PolarHBondContact O-N 3.3Å; P717-S720 PolarHBondContact O-OG 2.73Å; P717-S720 VanDerWaalsContact O-OG 3.1Å
718E50Low64.7Low176 Ų17687.6 Ų87.682%0.82247%0.465SS*.THydrogen-bonded Turntrans-51.8-16.2-177.2-66.9178.117700113.7R629 V716R629-E718 IonicContact NH2-OE1 2.88Å; R629-E718 PolarHBondContact NH2-OE1 3.34Å; V716-E718 PolarHBondContact O-N 3.36Å
719T46Very low64.6Low132 Ų13289.3 Ų89.381%0.8147%0.471SS*.THydrogen-bonded Turntrans-85.2-15.7-179.653.40000115.5P717P717-T719 PolarHBondContact O-N 3.46Å
720S42.9Very low64.9Low46 Ų4689.5 Ų89.532%0.32247%0.466SS..  trans-95.2108.4-179.452.60000111V716 P717 Q722V716-S720 WeakPolarHBondContact CG1-OG 3.31Å; P717-S720 PolarHBondContact O-N 3.3Å; P717-S720 PolarHBondContact O-OG 2.73Å; P717-S720 VanDerWaalsContact O-OG 3.1Å; S720-Q722 PolarHBondContact O-N 3.03Å
721E45.6Very low65.2Low203 Ų20387.6 Ų87.695%0.94945%0.452SS*.  trans-61.9-5.9171.5-67.6-175.9161.500113.5
722Q46.1Very low65.6Low160 Ų16087.3 Ų87.375%0.74845%0.45SS*.SBendtrans-96.5115.1179.4-64.4-179.5-1.700109.8S720 V724S720-Q722 PolarHBondContact O-N 3.03Å; Q722-V724 PolarHBondContact O-N 3.45Å
723T52.8Low66.2Low112 Ų11287.7 Ų87.769%0.68745%0.452SS*.  trans-61.8107.4168.451.20000108.6T725T723-T725 PolarHBondContact O-N 3.06Å
724V55.9Low67.1Low38 Ų3881.5 Ų81.523%0.2342%0.419CS..  trans-67.8102.9177.7178.10000108.2P711 V716 Q722 K726 E728P711-V724 HydrophobicContact CG-CG1 4.13Å; V716-V724 HydrophobicContact CG1-CG2 4.3Å; V716-V724 HydrophobicContact CG2-CB 4.24Å; V716-V724 HydrophobicContact CG2-CG2 4.41Å; Q722-V724 PolarHBondContact O-N 3.45Å; V724-K726 WeakPolarHBondContact CG1-O 3.11Å; V724-E728 HydrophobicContact CG1-CG 4.35Å
725T63.8Low68.1Low104 Ų10476.4 Ų76.464%0.63840%0.399SS*.  trans-81.8-16.9-177.9510000113.2S710 T723S710-T725 WeakPolarHBondContact CB-O 3.43Å; T723-T725 PolarHBondContact O-N 3.06Å
726K78Confident69.5Low164 Ų16476 Ų7671%0.71340%0.397SS*.SBendtrans-123.6145.7-175.1-65.6-174.4178.8-177.30111.1V724 E728V724-K726 WeakPolarHBondContact CG1-O 3.11Å; K726-E728 PolarHBondContact O-N 2.94Å
727W83.6Confident71.3Confident11 Ų1178.1 Ų78.14%0.04240%0.401CS..  trans-61.9132.5172.3-75101.5000111.2Y705 L706 L708 P711 L715 I732 I761 V764Y705-W727 VanDerWaalsContact O-CZ2 3.22Å; Y705-W727 WeakPolarHBondContact O-CZ2 3.19Å; L706-W727 HydrophobicContact CD2-CH2 4.02Å; L706-W727 HydrophobicContact CD2-CZ3 4.03Å; L708-W727 PolarHBondContact O-NE1 3.07Å; P711-W727 HydrophobicContact CB-CD2 4.09Å; P711-W727 HydrophobicContact CB-CE3 3.86Å; P711-W727 HydrophobicContact CB-CH2 3.97Å; P711-W727 HydrophobicContact CB-CZ2 4.16Å; P711-W727 HydrophobicContact CB-CZ3 3.82Å; P711-W727 HydrophobicContact CG-CD2 4.49Å; L715-W727 HydrophobicContact CD1-CH2 4.2Å; L715-W727 HydrophobicContact CD1-CZ3 4.18Å; W727-I732 HydrophobicContact CB-CD1 4.13Å; W727-I732 HydrophobicContact CB-CG1 4.33Å; W727-I732 HydrophobicContact CD2-CG1 4.25Å; W727-I732 HydrophobicContact CE3-CG1 3.6Å; W727-I732 HydrophobicContact CZ3-CG1 4.27Å; W727-I761 HydrophobicContact CB-CD1 4.17Å; W727-I761 HydrophobicContact CG-CD1 4.17Å; W727-V764 HydrophobicContact CB-CG2 4.41Å; W727-V764 HydrophobicContact CD2-CG2 4.41Å; W727-V764 HydrophobicContact CG-CG2 4.16Å
728E84.2Confident73.2Confident105 Ų10575.7 Ų75.749%0.49139%0.386SS..  trans-112.5156.6174.1-65.5-177.4173.900108.7V724 K726 N730 S731 I732V724-E728 HydrophobicContact CG1-CG 4.35Å; K726-E728 PolarHBondContact O-N 2.94Å; E728-N730 PolarHBondContact O-N 3.25Å; E728-S731 PolarHBondContact N-OG 3.32Å; E728-S731 VanDerWaalsContact N-OG 3.12Å; E728-S731 PolarHBondContact O-N 3.37Å; E728-S731 VanDerWaalsContact O-N 3.16Å; E728-S731 PolarHBondContact O-OG 3.03Å; E728-I732 WeakPolarHBondContact O-CG1 3.28Å; E728-I732 PolarHBondContact O-N 3.49Å; E728-I732 VanDerWaalsContact O-N 3.15Å
729E86.4Confident75.3Confident103 Ų10367.5 Ų67.548%0.48135%0.347SS..Hα-helixtrans-56.5-39.6179.6-64.4-176.717500111.8I732 D733E729-I732 PolarHBondContact O-N 3.26Å; E729-D733 WeakPolarHBondContact O-CB 3.37Å; E729-D733 PolarHBondContact O-N 3.44Å
730N85.3Confident77.6Confident110 Ų11061.9 Ų61.959%0.58831%0.313SS*.Hα-helixtrans-63.9-43.4178.2-73.4-23.2000112.8E728 I732 D733 L734E728-N730 PolarHBondContact O-N 3.25Å; N730-I732 VanDerWaalsContact C-N 3.33Å; N730-I732 PolarHBondContact O-N 2.93Å; N730-D733 PolarHBondContact O-N 3.36Å; N730-L734 VanDerWaalsContact O-CG 3.29Å; N730-L734 WeakPolarHBondContact O-CG 3.44Å; N730-L734 PolarHBondContact O-N 3.11Å
731S84.9Confident80Confident12 Ų1261.9 Ų61.98%0.08431%0.308CS..Hα-helixtrans-69.3-34.4-178.8520000111.9E728 L734 C735E728-S731 PolarHBondContact N-OG 3.32Å; E728-S731 VanDerWaalsContact N-OG 3.12Å; E728-S731 PolarHBondContact O-N 3.37Å; E728-S731 VanDerWaalsContact O-N 3.16Å; E728-S731 PolarHBondContact O-OG 3.03Å; S731-L734 PolarHBondContact O-N 2.9Å; S731-C735 PolarHBondContact O-N 3.38Å
732I89.1Confident82.3Confident0 Ų052.2 Ų52.20%026%0.263CS..Hα-helixtrans-66.7-43.6173-60.9161.8000110.8L706 W727 E728 E729 N730 L734 C735 L736 L763 V764 Q767L706-I732 HydrophobicContact CD2-CG1 4.48Å; L706-I732 HydrophobicContact CD2-CG2 4.04Å; W727-I732 HydrophobicContact CB-CD1 4.13Å; W727-I732 HydrophobicContact CB-CG1 4.33Å; W727-I732 HydrophobicContact CD2-CG1 4.25Å; W727-I732 HydrophobicContact CE3-CG1 3.6Å; W727-I732 HydrophobicContact CZ3-CG1 4.27Å; E728-I732 WeakPolarHBondContact O-CG1 3.28Å; E728-I732 PolarHBondContact O-N 3.49Å; E728-I732 VanDerWaalsContact O-N 3.15Å; E729-I732 PolarHBondContact O-N 3.26Å; N730-I732 VanDerWaalsContact C-N 3.33Å; N730-I732 PolarHBondContact O-N 2.93Å; I732-L734 VanDerWaalsContact C-N 3.26Å; I732-L734 PolarHBondContact O-N 3.2Å; I732-C735 WeakPolarHBondContact O-CB 3.17Å; I732-C735 PolarHBondContact O-N 2.76Å; I732-C735 VanDerWaalsContact O-N 3.17Å; I732-L736 HydrophobicContact CG2-CD1 3.79Å; I732-L736 HydrophobicContact CG2-CG 4.25Å; I732-L736 WeakPolarHBondContact O-CG 3.09Å; I732-L736 PolarHBondContact O-N 2.87Å; I732-L763 HydrophobicContact CD1-CD2 3.16Å; I732-V764 HydrophobicContact CD1-CB 4.33Å; I732-V764 HydrophobicContact CD1-CG2 3.65Å; I732-V764 HydrophobicContact CG1-CG2 3.99Å; I732-V764 HydrophobicContact CG2-CG1 4.44Å; I732-Q767 HydrophobicContact CB-CB 4.43Å; I732-Q767 HydrophobicContact CB-CG 4.05Å; I732-Q767 HydrophobicContact CD1-CB 4.18Å; I732-Q767 HydrophobicContact CD1-CG 4.49Å; I732-Q767 HydrophobicContact CG2-CB 3.86Å; I732-Q767 HydrophobicContact CG2-CG 3.73Å
733D89.5Confident84.6Confident27 Ų2744.6 Ų44.614%0.14423%0.228CC..Hα-helixtrans-59.9-37.1176.9-8614.9000112.1E729 N730 L736 R737 Q767 R771E729-D733 WeakPolarHBondContact O-CB 3.37Å; E729-D733 PolarHBondContact O-N 3.44Å; N730-D733 PolarHBondContact O-N 3.36Å; D733-L736 PolarHBondContact O-N 3.4Å; D733-R737 WeakPolarHBondContact O-CB 3.39Å; D733-R737 PolarHBondContact O-N 3.11Å; D733-Q767 WeakPolarHBondContact OD1-CG 3.35Å; D733-Q767 PolarHBondContact OD1-NE2 3.11Å; D733-R771 VanDerWaalsContact OD1-CD 3.24Å; D733-R771 WeakPolarHBondContact OD1-CD 3.4Å; D733-R771 WeakPolarHBondContact OD1-CG 3.42Å; D733-R771 IonicContact OD1-NE 3.24Å; D733-R771 WeakPolarHBondContact OD2-CD 3.25Å; D733-R771 IonicContact OD2-CZ 3.77Å; D733-R771 IonicContact OD2-NE 2.8Å; D733-R771 IonicContact OD2-NH1 3.92Å; D733-R771 PolarHBondContact OD2-NH1 2.93Å
734L88.3Confident86.4Confident7 Ų743.2 Ų43.24%0.03721%0.212CC..Hα-helixtrans-63.7-44.5174.8-67.6170.4000111.9T668 N730 S731 I732 R737T668-L734 WeakPolarHBondContact O-CD2 3.41Å; N730-L734 VanDerWaalsContact O-CG 3.29Å; N730-L734 WeakPolarHBondContact O-CG 3.44Å; N730-L734 PolarHBondContact O-N 3.11Å; S731-L734 PolarHBondContact O-N 2.9Å; I732-L734 VanDerWaalsContact C-N 3.26Å; I732-L734 PolarHBondContact O-N 3.2Å; L734-R737 VanDerWaalsContact CD2-NH2 3.28Å; L734-R737 WeakPolarHBondContact O-CB 3.17Å; L734-R737 PolarHBondContact O-N 3.24Å
735C88.5Confident88Confident1 Ų145 Ų451%0.00722%0.22CC..Hα-helixtrans-63.8-40.5175.3-74.40000112.7L706 L715 S731 I732 R737L706-C735 HydrophobicContact CD1-CB 4.39Å; L706-C735 HydrophobicContact CD2-CB 3.71Å; L706-C735 HydrophobicContact CG-CB 4.06Å; L715-C735 WeakPolarHBondContact CD1-SG 3.32Å; S731-C735 PolarHBondContact O-N 3.38Å; I732-C735 WeakPolarHBondContact O-CB 3.17Å; I732-C735 PolarHBondContact O-N 2.76Å; I732-C735 VanDerWaalsContact O-N 3.17Å; C735-R737 VanDerWaalsContact C-N 3.34Å
736L92.3Very high89.3Confident4 Ų441.9 Ų41.92%0.02120%0.199CC..Hα-helixtrans-76.4-21.6-179-69.9176.2000113.1L703 L706 I732 D733 L738 F739 C740 I768 R771L703-L736 HydrophobicContact CD2-CD2 4.11Å; L706-L736 HydrophobicContact CD1-CD2 3.51Å; L706-L736 HydrophobicContact CD1-CG 3.99Å; I732-L736 HydrophobicContact CG2-CD1 3.79Å; I732-L736 HydrophobicContact CG2-CG 4.25Å; I732-L736 WeakPolarHBondContact O-CG 3.09Å; I732-L736 PolarHBondContact O-N 2.87Å; D733-L736 PolarHBondContact O-N 3.4Å; L736-L738 PolarHBondContact O-N 3.13Å; L736-F739 PolarHBondContact O-N 2.83Å; L736-F739 VanDerWaalsContact O-N 3.14Å; L736-C740 WeakPolarHBondContact O-CB 3.43Å; L736-C740 PolarHBondContact O-N 3.08Å; L736-C740 PolarHBondContact O-SG 3.18Å; L736-C740 VanDerWaalsContact O-SG 3.39Å; L736-I768 HydrophobicContact CD1-CB 4.49Å; L736-I768 HydrophobicContact CD1-CG1 3.89Å; L736-I768 HydrophobicContact CD2-CG1 4.13Å; L736-R771 HydrophobicContact CD1-CB 4.28Å; L736-R771 HydrophobicContact CD1-CG 4.37Å
737R92.3Very high89.8Confident72 Ų7234.4 Ų34.427%0.27217%0.169SC..Hα-helixtrans-53.2-48.2-173.4-171.5177.3-68.4169.31.5113.2L669 S675 L679 D733 L734 C735 H741L669-R737 PolarHBondContact O-NH1 3.05Å; L669-R737 VanDerWaalsContact O-NH1 3.07Å; S675-R737 WeakPolarHBondContact OG-CD 3.3Å; S675-R737 PolarHBondContact OG-NH1 2.79Å; L679-R737 HydrophobicContact CD1-CG 3.81Å; D733-R737 WeakPolarHBondContact O-CB 3.39Å; D733-R737 PolarHBondContact O-N 3.11Å; L734-R737 VanDerWaalsContact CD2-NH2 3.28Å; L734-R737 WeakPolarHBondContact O-CB 3.17Å; L734-R737 PolarHBondContact O-N 3.24Å; C735-R737 VanDerWaalsContact C-N 3.34Å; R737-H741 WeakPolarHBondContact O-CB 3.41Å; R737-H741 PolarHBondContact O-N 3.31Å
738L92.2Very high90.2Very high3 Ų338.4 Ų38.42%0.01619%0.187CC..Hα-helixtrans-63.8-47.6179.4176.863.5000111.4I664 L679 V682 V699 F702 L736 H741 L742I664-L738 HydrophobicContact CD1-CD1 3.9Å; I664-L738 HydrophobicContact CD1-CD2 3.69Å; I664-L738 HydrophobicContact CD1-CG 4.38Å; I664-L738 HydrophobicContact CG1-CD2 4.06Å; L679-L738 HydrophobicContact CD2-CB 4.44Å; L679-L738 HydrophobicContact CD2-CD1 3.82Å; V682-L738 HydrophobicContact CB-CD1 4.46Å; V682-L738 HydrophobicContact CG1-CD1 3.7Å; V699-L738 HydrophobicContact CG2-CD2 3.8Å; V699-L738 HydrophobicContact CG2-CG 3.96Å; F702-L738 HydrophobicContact CD2-CD2 3.68Å; F702-L738 HydrophobicContact CE2-CD2 3.99Å; L736-L738 PolarHBondContact O-N 3.13Å; L738-H741 PolarHBondContact O-N 3.3Å; L738-L742 HydrophobicContact CD1-CD1 3.83Å; L738-L742 HydrophobicContact CD1-CG 4.2Å; L738-L742 HydrophobicContact CG-CD1 4.17Å; L738-L742 PolarHBondContact O-N 2.85Å
739F94.3Very high90.6Very high3 Ų333.4 Ų33.41%0.01316%0.163CC..Hα-helixtrans-59.4-49.9178.5170.8-101.5000111.3V699 L703 L736 H741 L742 L743 L749 I750 L753 L772V699-F739 HydrophobicContact CG1-CB 4.29Å; V699-F739 HydrophobicContact CG1-CD2 3.93Å; L703-F739 HydrophobicContact CD1-CD2 3.8Å; L703-F739 HydrophobicContact CD1-CE2 4.17Å; L703-F739 HydrophobicContact CD1-CG 4.35Å; L703-F739 HydrophobicContact CD2-CB 4.1Å; L703-F739 HydrophobicContact CD2-CD1 4.47Å; L703-F739 HydrophobicContact CD2-CD2 4.34Å; L703-F739 HydrophobicContact CD2-CG 4.05Å; L703-F739 HydrophobicContact CG-CD2 4.44Å; L736-F739 PolarHBondContact O-N 2.83Å; L736-F739 VanDerWaalsContact O-N 3.14Å; F739-H741 VanDerWaalsContact C-N 3.3Å; F739-H741 PolarHBondContact O-N 3.46Å; F739-L742 PolarHBondContact O-N 2.98Å; F739-L743 HydrophobicContact CE1-CD2 3.99Å; F739-L743 HydrophobicContact CZ-CD1 4.42Å; F739-L743 HydrophobicContact CZ-CD2 4.11Å; F739-L743 VanDerWaalsContact O-CB 3.26Å; F739-L743 WeakPolarHBondContact O-CB 3.4Å; F739-L743 PolarHBondContact O-N 3.19Å; F739-L749 HydrophobicContact CE2-CB 4.04Å; F739-L749 WeakPolarHBondContact CE2-O 3.4Å; F739-I750 HydrophobicContact CZ-CD1 4.37Å; F739-L753 HydrophobicContact CE1-CD1 4.3Å; F739-L753 HydrophobicContact CE1-CD2 4.04Å; F739-L753 HydrophobicContact CZ-CB 4.12Å; F739-L753 HydrophobicContact CZ-CD1 4.47Å; F739-L753 HydrophobicContact CZ-CD2 4.19Å; F739-L772 HydrophobicContact CE1-CD1 4.32Å
740C94Very high90.9Very high15 Ų1528.5 Ų28.510%0.10114%0.14CC..Hα-helixtrans-62.1-36.3179-72.70000112.7L736 V775L736-C740 WeakPolarHBondContact O-CB 3.43Å; L736-C740 PolarHBondContact O-N 3.08Å; L736-C740 PolarHBondContact O-SG 3.18Å; L736-C740 VanDerWaalsContact O-SG 3.39Å; C740-V775 HydrophobicContact CB-CG1 4.28Å; C740-V775 HydrophobicContact CB-CG2 3.81Å; C740-V775 WeakPolarHBondContact O-CG1 3.38Å
741H92.8Very high91.3Very high46 Ų4625.8 Ų25.821%0.21313%0.125CC..Hα-helixtrans-66.1-48.3176.4-172.673.2000111.4L679 E683 R737 L738 F739 K744L679-H741 HydrophobicContact CD1-CB 4.48Å; L679-H741 HydrophobicContact CD2-CB 4.19Å; L679-H741 PolarHBondContact O-NE2 3.26Å; E683-H741 IonicContact OE2-NE2 3.29Å; R737-H741 WeakPolarHBondContact O-CB 3.41Å; R737-H741 PolarHBondContact O-N 3.31Å; L738-H741 PolarHBondContact O-N 3.3Å; F739-H741 VanDerWaalsContact C-N 3.3Å; F739-H741 PolarHBondContact O-N 3.46Å; H741-K744 PolarHBondContact O-N 3.26Å
742L93.9Very high91.6Very high0 Ų026.4 Ų26.40%013%0.128CC..Hα-helixtrans-74.5-26.9-178.7-66.3175.9000113.6V682 Y686 V695 V699 L738 F739 K744 L745 D746 L749V682-L742 HydrophobicContact CG1-CD1 4.47Å; Y686-L742 HydrophobicContact CD1-CD2 4.49Å; Y686-L742 HydrophobicContact CD2-CD1 4.4Å; Y686-L742 HydrophobicContact CG-CD2 4.09Å; V695-L742 HydrophobicContact CG1-CD1 3.58Å; V699-L742 HydrophobicContact CG2-CD1 3.51Å; L738-L742 HydrophobicContact CD1-CD1 3.83Å; L738-L742 HydrophobicContact CD1-CG 4.2Å; L738-L742 HydrophobicContact CG-CD1 4.17Å; L738-L742 PolarHBondContact O-N 2.85Å; F739-L742 PolarHBondContact O-N 2.98Å; L742-K744 PolarHBondContact O-N 3.01Å; L742-L745 HydrophobicContact CD2-CD1 4.06Å; L742-L745 WeakPolarHBondContact O-CB 3.33Å; L742-L745 PolarHBondContact O-N 3.38Å; L742-D746 PolarHBondContact O-N 3.49Å; L742-L749 HydrophobicContact CB-CD1 3.59Å
743L93.8Very high91.8Very high0 Ų026.4 Ų26.40%013%0.128CC..Hα-helixtrans-61.4-28.9176.3-177.264.7000112.2F739 L745 L749 I750 L772 V775 L776 A779F739-L743 HydrophobicContact CE1-CD2 3.99Å; F739-L743 HydrophobicContact CZ-CD1 4.42Å; F739-L743 HydrophobicContact CZ-CD2 4.11Å; F739-L743 VanDerWaalsContact O-CB 3.26Å; F739-L743 WeakPolarHBondContact O-CB 3.4Å; F739-L743 PolarHBondContact O-N 3.19Å; L743-L745 PolarHBondContact O-N 2.65Å; L743-L749 HydrophobicContact CD1-CB 4.21Å; L743-I750 HydrophobicContact CD1-CB 4.02Å; L743-I750 HydrophobicContact CD1-CD1 4.38Å; L743-I750 HydrophobicContact CD2-CD1 4.07Å; L743-L772 HydrophobicContact CD2-CD1 3.6Å; L743-V775 HydrophobicContact CB-CG1 4.33Å; L743-V775 HydrophobicContact CD2-CG1 3.99Å; L743-V775 HydrophobicContact CG-CG1 4.43Å; L743-L776 HydrophobicContact CD2-CD2 4.29Å; L743-A779 HydrophobicContact CG-CB 4.08Å; L743-A779 WeakPolarHBondContact O-CB 3.33Å
744K91.4Very high92Very high82 Ų8225.3 Ų25.336%0.35712%0.122SC..THydrogen-bonded Turntrans-64.7-27.4174-61.8176.8180-1580112.3H741 L742 V775 E778H741-K744 PolarHBondContact O-N 3.26Å; L742-K744 PolarHBondContact O-N 3.01Å; K744-V775 HydrophobicContact CG-CG1 4.09Å; K744-E778 HydrophobicContact CD-CB 4.37Å; K744-E778 WeakPolarHBondContact CD-OE2 3.21Å; K744-E778 WeakPolarHBondContact CE-OE2 3.46Å; K744-E778 HydrophobicContact CG-CB 4.2Å; K744-E778 VanDerWaalsContact NZ-CD 3.26Å; K744-E778 IonicContact NZ-OE1 2.87Å; K744-E778 PolarHBondContact NZ-OE1 3.47Å; K744-E778 IonicContact NZ-OE2 3.04Å; K744-E778 PolarHBondContact NZ-OE2 2.92Å
745L89.8Confident92.1Very high76 Ų7628.9 Ų28.940%0.39814%0.144SC..THydrogen-bonded Turntrans-91.6-38.7179.9-60.1169.6000112.1E683 L742 L743E683-L745 HydrophobicContact CB-CD1 3.88Å; E683-L745 HydrophobicContact CG-CD1 3.48Å; E683-L745 VanDerWaalsContact CG-CD1 3.48Å; E683-L745 VanDerWaalsContact OE1-CD2 3.29Å; E683-L745 WeakPolarHBondContact OE1-CD2 3.35Å; L742-L745 HydrophobicContact CD2-CD1 4.06Å; L742-L745 WeakPolarHBondContact O-CB 3.33Å; L742-L745 PolarHBondContact O-N 3.38Å; L743-L745 PolarHBondContact O-N 2.65Å
746D90.1Very high92.2Very high38 Ų3829.1 Ų29.120%0.20315%0.146CC..  trans-136.899.4-174.8-174.3-0.6000111.9Y686 L742 K748 L749Y686-D746 HydrophobicContact CE1-CB 3.73Å; Y686-D746 PolarHBondContact OH-OD2 3.42Å; L742-D746 PolarHBondContact O-N 3.49Å; D746-K748 PolarHBondContact O-N 3.48Å; D746-K748 VanDerWaalsContact O-N 3.08Å; D746-K748 VanDerWaalsContact OD1-CB 3.23Å; D746-K748 WeakPolarHBondContact OD1-CB 3.45Å; D746-K748 WeakPolarHBondContact OD1-CG 3.49Å; D746-K748 PolarHBondContact OD1-N 2.85Å; D746-L749 HydrophobicContact CB-CD1 4.35Å; D746-L749 HydrophobicContact CB-CG 4.39Å; D746-L749 PolarHBondContact O-N 3.42Å
747G90Very high92.3Very high8 Ų829.3 Ų29.38%0.08215%0.146CC..G310 helixtrans-59-20.2178.300000114.1L749 I750G747-L749 PolarHBondContact O-N 3.44Å; G747-I750 WeakPolarHBondContact O-CB 3.22Å; G747-I750 WeakPolarHBondContact O-CG2 3.36Å; G747-I750 PolarHBondContact O-N 3.21Å
748K90.6Very high92.3Very high94 Ų9428 Ų2841%0.40915%0.146SC..G310 helixtrans-67.1-19.7179.6-63.4174.2-179.6173.80113D746 I750 L751 E782 T785D746-K748 PolarHBondContact O-N 3.48Å; D746-K748 VanDerWaalsContact O-N 3.08Å; D746-K748 VanDerWaalsContact OD1-CB 3.23Å; D746-K748 WeakPolarHBondContact OD1-CB 3.45Å; D746-K748 WeakPolarHBondContact OD1-CG 3.49Å; D746-K748 PolarHBondContact OD1-N 2.85Å; K748-I750 PolarHBondContact O-N 2.93Å; K748-L751 PolarHBondContact O-N 3.22Å; K748-E782 WeakPolarHBondContact CE-OE2 3.49Å; K748-E782 IonicContact NZ-OE2 3.17Å; K748-E782 PolarHBondContact NZ-OE2 3.07Å; K748-T785 HydrophobicContact CG-CG2 4.42Å; K748-T785 WeakPolarHBondContact CG-OG1 3.27Å
749L92.6Very high92.2Very high0 Ų030.6 Ų30.60%017%0.165CC..G310 helixtrans-63.1-23.3175.4-67.1173.3000112.3F739 L742 L743 D746 G747 L751 L752F739-L749 HydrophobicContact CE2-CB 4.04Å; F739-L749 WeakPolarHBondContact CE2-O 3.4Å; L742-L749 HydrophobicContact CB-CD1 3.59Å; L743-L749 HydrophobicContact CD1-CB 4.21Å; D746-L749 HydrophobicContact CB-CD1 4.35Å; D746-L749 HydrophobicContact CB-CG 4.39Å; D746-L749 PolarHBondContact O-N 3.42Å; G747-L749 PolarHBondContact O-N 3.44Å; L749-L751 PolarHBondContact O-N 2.87Å; L749-L751 VanDerWaalsContact O-N 3.08Å; L749-L752 HydrophobicContact CD2-CD1 4.02Å; L749-L752 WeakPolarHBondContact O-CB 3.45Å; L749-L752 PolarHBondContact O-N 3.02Å
750I92.8Very high92Very high0 Ų030.8 Ų30.80%017%0.166CC..G310 helixtrans-56.7-28.7178.8-159.561.5000112.9F739 L743 G747 K748 L752 L753 P754 L772 L776 I781 T785 I804F739-I750 HydrophobicContact CZ-CD1 4.37Å; L743-I750 HydrophobicContact CD1-CB 4.02Å; L743-I750 HydrophobicContact CD1-CD1 4.38Å; L743-I750 HydrophobicContact CD2-CD1 4.07Å; G747-I750 WeakPolarHBondContact O-CB 3.22Å; G747-I750 WeakPolarHBondContact O-CG2 3.36Å; G747-I750 PolarHBondContact O-N 3.21Å; K748-I750 PolarHBondContact O-N 2.93Å; I750-L752 PolarHBondContact O-N 3.26Å; I750-L753 HydrophobicContact CD1-CD2 4.19Å; I750-L753 WeakPolarHBondContact O-CB 3.48Å; I750-L753 PolarHBondContact O-N 3.07Å; I750-P754 VanDerWaalsContact O-CD 3.27Å; I750-P754 WeakPolarHBondContact O-CD 3.27Å; I750-L772 HydrophobicContact CD1-CD1 4.11Å; I750-L772 HydrophobicContact CD1-CD2 4.28Å; I750-L776 HydrophobicContact CD1-CD2 4.3Å; I750-I781 HydrophobicContact CG1-CD1 4.35Å; I750-T785 HydrophobicContact CG2-CG2 3.77Å; I750-I804 HydrophobicContact CD1-CD1 3.85Å; I750-I804 HydrophobicContact CD1-CG1 4.39Å; I750-I804 HydrophobicContact CG1-CD1 3.72Å; I750-I804 HydrophobicContact CG1-CG1 4.45Å
751L93.7Very high91.9Very high53 Ų5333.5 Ų33.528%0.27718%0.179SC..G310 helixtrans-65.5-17.9179.3-61.4176.3000113.7K748 L749 T785 T788 L789K748-L751 PolarHBondContact O-N 3.22Å; L749-L751 PolarHBondContact O-N 2.87Å; L749-L751 VanDerWaalsContact O-N 3.08Å; L751-T785 HydrophobicContact CD1-CG2 4.18Å; L751-T785 HydrophobicContact CD2-CG2 4.22Å; L751-T785 HydrophobicContact CG-CG2 3.98Å; L751-T788 WeakPolarHBondContact CD2-OG1 3.33Å; L751-L789 HydrophobicContact CD2-CB 3.69Å; L751-L789 HydrophobicContact CD2-CD1 4.02Å; L751-L789 HydrophobicContact CD2-CG 4.5Å
752L91.4Very high91.7Very high25 Ų2535.2 Ų35.213%0.13120%0.196CC..G310 helixtrans-79.2-26.1178.4-58.9179.1000112.1L700 L703 L749 I750 T755L700-L752 HydrophobicContact CD2-CB 4.22Å; L700-L752 HydrophobicContact CD2-CD1 3.7Å; L700-L752 HydrophobicContact CD2-CD2 3.74Å; L700-L752 HydrophobicContact CD2-CG 4.08Å; L700-L752 HydrophobicContact CG-CD1 4.08Å; L703-L752 HydrophobicContact CD1-CB 4.1Å; L749-L752 HydrophobicContact CD2-CD1 4.02Å; L749-L752 WeakPolarHBondContact O-CB 3.45Å; L749-L752 PolarHBondContact O-N 3.02Å; I750-L752 PolarHBondContact O-N 3.26Å; L752-T755 PolarHBondContact O-OG1 2.89Å
753L93.6Very high91.5Very high0 Ų038.8 Ų38.80%022%0.215CC..Hα-helixtrans-72.7-38.9-169.3-168.864.6000114.9L703 F739 I750 T755 V756 Y757 I768 L772 L800L703-L753 HydrophobicContact CD2-CD1 4.2Å; F739-L753 HydrophobicContact CE1-CD1 4.3Å; F739-L753 HydrophobicContact CE1-CD2 4.04Å; F739-L753 HydrophobicContact CZ-CB 4.12Å; F739-L753 HydrophobicContact CZ-CD1 4.47Å; F739-L753 HydrophobicContact CZ-CD2 4.19Å; I750-L753 HydrophobicContact CD1-CD2 4.19Å; I750-L753 WeakPolarHBondContact O-CB 3.48Å; I750-L753 PolarHBondContact O-N 3.07Å; L753-T755 VanDerWaalsContact C-N 3.32Å; L753-T755 PolarHBondContact O-N 2.94Å; L753-V756 WeakPolarHBondContact O-CB 3.44Å; L753-V756 PolarHBondContact O-N 3.41Å; L753-Y757 WeakPolarHBondContact O-CB 3.34Å; L753-Y757 PolarHBondContact O-N 2.89Å; L753-I768 HydrophobicContact CD1-CG2 4.16Å; L753-I768 HydrophobicContact CD2-CG2 3.93Å; L753-I768 HydrophobicContact CG-CG2 4.35Å; L753-L772 HydrophobicContact CD2-CD1 4.41Å; L753-L772 HydrophobicContact CD2-CD2 3.76Å; L753-L800 HydrophobicContact CB-CD2 4.46Å; L753-L800 HydrophobicContact CD2-CD1 3.95Å; L753-L800 HydrophobicContact CD2-CD2 4.09Å; L753-L800 HydrophobicContact CG-CD2 3.99Å
754P93.4Very high91.4Very high4 Ų438.8 Ų38.83%0.02622%0.215CC..Hα-helixtrans-56.7-42.1-177.1-27.534000113.8I750 V756 Y757 V758 L789 P794 A797 L800I750-P754 VanDerWaalsContact O-CD 3.27Å; I750-P754 WeakPolarHBondContact O-CD 3.27Å; P754-V756 PolarHBondContact O-N 3.32Å; P754-Y757 PolarHBondContact O-N 3.42Å; P754-V758 WeakPolarHBondContact O-CG2 3.45Å; P754-V758 PolarHBondContact O-N 2.88Å; P754-V758 VanDerWaalsContact O-N 3.1Å; P754-L789 HydrophobicContact CG-CD1 3.47Å; P754-L789 VanDerWaalsContact CG-CD1 3.47Å; P754-P794 HydrophobicContact CB-CG 3.84Å; P754-A797 HydrophobicContact CB-CB 4.3Å; P754-L800 HydrophobicContact CG-CD2 4.4Å
755T91.1Very high91.5Very high82 Ų8237 Ų3750%0.50321%0.207SC..Hα-helixtrans-65.2-26.6179.3700000113.1K707 L752 L753 S759K707-T755 WeakPolarHBondContact CE-O 3.25Å; K707-T755 PolarHBondContact NZ-O 2.81Å; L752-T755 PolarHBondContact O-OG1 2.89Å; L753-T755 VanDerWaalsContact C-N 3.32Å; L753-T755 PolarHBondContact O-N 2.94Å; T755-S759 PolarHBondContact O-OG 3.11Å
756V90.9Very high91.6Very high6 Ų639 Ų394%0.03621%0.21CC..Hα-helixtrans-81.2-45.5176.51770000109.5L703 L706 K707 L753 P754 V758 S759 A760L703-V756 HydrophobicContact CB-CG1 4.46Å; L703-V756 HydrophobicContact CB-CG2 3.83Å; L703-V756 WeakPolarHBondContact O-CG1 3.49Å; L706-V756 HydrophobicContact CB-CG1 3.96Å; K707-V756 HydrophobicContact CG-CG1 4.32Å; L753-V756 WeakPolarHBondContact O-CB 3.44Å; L753-V756 PolarHBondContact O-N 3.41Å; P754-V756 PolarHBondContact O-N 3.32Å; V756-V758 VanDerWaalsContact C-N 3.35Å; V756-V758 PolarHBondContact O-N 3.46Å; V756-S759 PolarHBondContact O-N 3.08Å; V756-S759 PolarHBondContact O-OG 2.96Å; V756-A760 WeakPolarHBondContact O-CB 3.37Å; V756-A760 PolarHBondContact O-N 2.69Å
757Y93.8Very high91.7Very high8 Ų837.9 Ų37.93%0.03120%0.203CC..Hα-helixtrans-56.8-45.2-179.7-174.1-96.6000112.9L753 P754 S759 A760 K765 I768 L769 D796 A797 T799 L800L753-Y757 WeakPolarHBondContact O-CB 3.34Å; L753-Y757 PolarHBondContact O-N 2.89Å; P754-Y757 PolarHBondContact O-N 3.42Å; Y757-S759 VanDerWaalsContact C-N 3.32Å; Y757-S759 PolarHBondContact O-N 2.78Å; Y757-A760 PolarHBondContact O-N 3.39Å; Y757-K765 HydrophobicContact CD2-CB 4.32Å; Y757-K765 HydrophobicContact CD2-CG 4.11Å; Y757-K765 HydrophobicContact CE1-CD 4.38Å; Y757-K765 HydrophobicContact CE1-CG 4.4Å; Y757-K765 HydrophobicContact CE2-CB 3.66Å; Y757-K765 HydrophobicContact CE2-CG 3.83Å; Y757-K765 WeakPolarHBondContact O-CE 3.45Å; Y757-K765 WeakPolarHBondContact O-CG 3.48Å; Y757-I768 HydrophobicContact CD2-CB 4.44Å; Y757-I768 HydrophobicContact CD2-CD1 4.21Å; Y757-I768 HydrophobicContact CD2-CG2 4.15Å; Y757-L769 HydrophobicContact CE2-CD2 4.23Å; Y757-L769 HydrophobicContact CE2-CG 4.1Å; Y757-D796 WeakPolarHBondContact CE1-O 3.34Å; Y757-A797 HydrophobicContact CD1-CB 4.4Å; Y757-T799 WeakPolarHBondContact CE1-OG1 3.33Å; Y757-T799 PolarHBondContact OH-OG1 3.47Å; Y757-L800 HydrophobicContact CD1-CB 3.88Å; Y757-L800 HydrophobicContact CD1-CD2 4.33Å; Y757-L800 HydrophobicContact CD2-CB 4.16Å; Y757-L800 HydrophobicContact CD2-CD1 4.41Å; Y757-L800 HydrophobicContact CD2-CD2 4.19Å; Y757-L800 HydrophobicContact CD2-CG 4.48Å; Y757-L800 HydrophobicContact CE1-CB 3.87Å; Y757-L800 HydrophobicContact CE2-CB 4.16Å; Y757-L800 HydrophobicContact CG-CB 4.01Å; Y757-L800 HydrophobicContact CG-CD2 3.83Å; Y757-L800 HydrophobicContact CG-CG 4.42Å
758V92.2Very high91.9Very high45 Ų4537.6 Ų37.627%0.27320%0.2SC..Hα-helixtrans-62.1-39.5-179.6174.10000112.5P754 V756 P794 H795 D796 A797P754-V758 WeakPolarHBondContact O-CG2 3.45Å; P754-V758 PolarHBondContact O-N 2.88Å; P754-V758 VanDerWaalsContact O-N 3.1Å; V756-V758 VanDerWaalsContact C-N 3.35Å; V756-V758 PolarHBondContact O-N 3.46Å; V758-P794 HydrophobicContact CG2-CB 4Å; V758-P794 HydrophobicContact CG2-CG 3.6Å; V758-H795 WeakPolarHBondContact CG1-O 3.29Å; V758-H795 WeakPolarHBondContact CG2-O 3.46Å; V758-D796 HydrophobicContact CG1-CB 4.48Å; V758-A797 HydrophobicContact CG2-CB 3.84Å
759S90Very high91.9Very high58 Ų5835.1 Ų35.141%0.40619%0.191SC..Hα-helixtrans-86.6-8-17745.50000114K707 T755 V756 Y757K707-S759 VanDerWaalsContact CD-OG 3.24Å; K707-S759 WeakPolarHBondContact CD-OG 3.29Å; K707-S759 VanDerWaalsContact CE-OG 3.24Å; K707-S759 WeakPolarHBondContact CE-OG 3.32Å; K707-S759 VanDerWaalsContact CG-OG 3.31Å; K707-S759 WeakPolarHBondContact CG-OG 3.26Å; T755-S759 PolarHBondContact O-OG 3.11Å; V756-S759 PolarHBondContact O-N 3.08Å; V756-S759 PolarHBondContact O-OG 2.96Å; Y757-S759 VanDerWaalsContact C-N 3.32Å; Y757-S759 PolarHBondContact O-N 2.78Å
760A91.2Very high91.9Very high6 Ų638 Ų385%0.0521%0.209CC..SBendtrans-79.2150.7-178.500000112.3V756 Y757 V764 K765V756-A760 WeakPolarHBondContact O-CB 3.37Å; V756-A760 PolarHBondContact O-N 2.69Å; Y757-A760 PolarHBondContact O-N 3.39Å; A760-V764 HydrophobicContact CB-CB 4.01Å; A760-V764 HydrophobicContact CB-CG1 3.71Å; A760-K765 HydrophobicContact CB-CG 4.18Å; A760-K765 WeakPolarHBondContact O-CE 3.26Å
761I90.7Very high91.7Very high73 Ų7343.1 Ų43.137%0.37423%0.228SC..  trans-67.6158.5172.361.5169.8000111.7W727 L763 V764 K765W727-I761 HydrophobicContact CB-CD1 4.17Å; W727-I761 HydrophobicContact CG-CD1 4.17Å; I761-L763 VanDerWaalsContact C-N 3.31Å; I761-L763 PolarHBondContact O-N 2.8Å; I761-V764 HydrophobicContact CD1-CG2 3.94Å; I761-V764 HydrophobicContact CG1-CB 3.92Å; I761-V764 HydrophobicContact CG1-CG2 3.43Å; I761-V764 VanDerWaalsContact CG1-CG2 3.43Å; I761-V764 WeakPolarHBondContact O-CB 3.33Å; I761-V764 PolarHBondContact O-N 3.02Å; I761-K765 PolarHBondContact O-N 3.06Å
762S89.3Confident91.6Very high81 Ų8140.8 Ų40.857%0.56622%0.215SC*.Hα-helixtrans-56.4-38.9-173.5-47.60000114.1V764 K765 R766S762-V764 PolarHBondContact O-N 2.79Å; S762-K765 PolarHBondContact O-N 2.89Å; S762-R766 PolarHBondContact O-N 3.4Å
763L89.6Confident91.4Very high76 Ų7639.9 Ų39.940%0.39821%0.212SC..Hα-helixtrans-62.6-43176-170.8155000111.6I732 I761 R766 Q767I732-L763 HydrophobicContact CD1-CD2 3.16Å; I761-L763 VanDerWaalsContact C-N 3.31Å; I761-L763 PolarHBondContact O-N 2.8Å; L763-R766 PolarHBondContact O-N 3.46Å; L763-Q767 PolarHBondContact O-N 2.54Å
764V91.7Very high91.1Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-67.1-43.1177.4175.60000110.8L706 W727 I732 A760 I761 S762 R766 Q767 I768L706-V764 HydrophobicContact CB-CG1 4.06Å; L706-V764 HydrophobicContact CD2-CG1 4.12Å; L706-V764 HydrophobicContact CG-CG1 4.47Å; W727-V764 HydrophobicContact CB-CG2 4.41Å; W727-V764 HydrophobicContact CD2-CG2 4.41Å; W727-V764 HydrophobicContact CG-CG2 4.16Å; I732-V764 HydrophobicContact CD1-CB 4.33Å; I732-V764 HydrophobicContact CD1-CG2 3.65Å; I732-V764 HydrophobicContact CG1-CG2 3.99Å; I732-V764 HydrophobicContact CG2-CG1 4.44Å; A760-V764 HydrophobicContact CB-CB 4.01Å; A760-V764 HydrophobicContact CB-CG1 3.71Å; I761-V764 HydrophobicContact CD1-CG2 3.94Å; I761-V764 HydrophobicContact CG1-CB 3.92Å; I761-V764 HydrophobicContact CG1-CG2 3.43Å; I761-V764 VanDerWaalsContact CG1-CG2 3.43Å; I761-V764 WeakPolarHBondContact O-CB 3.33Å; I761-V764 PolarHBondContact O-N 3.02Å; S762-V764 PolarHBondContact O-N 2.79Å; V764-R766 VanDerWaalsContact C-N 3.34Å; V764-R766 PolarHBondContact O-N 3.22Å; V764-Q767 PolarHBondContact O-N 2.6Å; V764-I768 HydrophobicContact CG1-CD1 3.8Å; V764-I768 HydrophobicContact CG1-CG1 4.27Å; V764-I768 WeakPolarHBondContact O-CB 3.43Å; V764-I768 VanDerWaalsContact O-CG1 3.24Å; V764-I768 WeakPolarHBondContact O-CG1 3.3Å; V764-I768 PolarHBondContact O-N 3.26Å
765K92.6Very high90.9Very high44 Ų4443.2 Ų43.219%0.19123%0.234CC..Hα-helixtrans-55.3-48.7174.1-72.5177.9173.1173.30111.1Y757 A760 I761 S762 Q767 I768 L769Y757-K765 HydrophobicContact CD2-CB 4.32Å; Y757-K765 HydrophobicContact CD2-CG 4.11Å; Y757-K765 HydrophobicContact CE1-CD 4.38Å; Y757-K765 HydrophobicContact CE1-CG 4.4Å; Y757-K765 HydrophobicContact CE2-CB 3.66Å; Y757-K765 HydrophobicContact CE2-CG 3.83Å; Y757-K765 WeakPolarHBondContact O-CE 3.45Å; Y757-K765 WeakPolarHBondContact O-CG 3.48Å; A760-K765 HydrophobicContact CB-CG 4.18Å; A760-K765 WeakPolarHBondContact O-CE 3.26Å; I761-K765 PolarHBondContact O-N 3.06Å; S762-K765 PolarHBondContact O-N 2.89Å; K765-Q767 PolarHBondContact O-N 3.18Å; K765-I768 PolarHBondContact O-N 2.52Å; K765-L769 WeakPolarHBondContact O-CG 3.29Å; K765-L769 PolarHBondContact O-N 3.29Å; K765-L769 VanDerWaalsContact O-N 3.14Å
766R92.4Very high90.7Very high118 Ų11839.5 Ų39.545%0.44521%0.211SC..Hα-helixtrans-57.9-49.4176.4177179163.4176.2-4.3111.5S762 L763 V764 I768 L769 V770 V1100S762-R766 PolarHBondContact O-N 3.4Å; L763-R766 PolarHBondContact O-N 3.46Å; V764-R766 VanDerWaalsContact C-N 3.34Å; V764-R766 PolarHBondContact O-N 3.22Å; R766-I768 PolarHBondContact O-N 3.08Å; R766-L769 PolarHBondContact O-N 2.82Å; R766-V770 WeakPolarHBondContact O-CG2 3.31Å; R766-V770 PolarHBondContact O-N 3.47Å; R766-V1100 VanDerWaalsContact NH1-CG2 3.3Å
767Q92.1Very high90.3Very high14 Ų1443.1 Ų43.17%0.06523%0.23CC..Hα-helixtrans-66.5-37.5-177.5-166.4637.400112.6I732 D733 L763 V764 K765 L769 V770 R771I732-Q767 HydrophobicContact CB-CB 4.43Å; I732-Q767 HydrophobicContact CB-CG 4.05Å; I732-Q767 HydrophobicContact CD1-CB 4.18Å; I732-Q767 HydrophobicContact CD1-CG 4.49Å; I732-Q767 HydrophobicContact CG2-CB 3.86Å; I732-Q767 HydrophobicContact CG2-CG 3.73Å; D733-Q767 WeakPolarHBondContact OD1-CG 3.35Å; D733-Q767 PolarHBondContact OD1-NE2 3.11Å; L763-Q767 PolarHBondContact O-N 2.54Å; V764-Q767 PolarHBondContact O-N 2.6Å; K765-Q767 PolarHBondContact O-N 3.18Å; Q767-L769 VanDerWaalsContact C-N 3.32Å; Q767-L769 PolarHBondContact O-N 3.22Å; Q767-V770 PolarHBondContact O-N 3.48Å; Q767-R771 HydrophobicContact CG-CG 4.28Å; Q767-R771 WeakPolarHBondContact O-CB 3.46Å; Q767-R771 WeakPolarHBondContact O-CG 3.38Å; Q767-R771 PolarHBondContact O-N 3.18Å
768I93.6Very high89.9Confident2 Ų248.3 Ų48.31%0.0126%0.255CS..Hα-helixtrans-54.9-49.6171.4-71.4166.7000110L736 L753 Y757 V764 K765 R766 V770 R771 L772 L800L736-I768 HydrophobicContact CD1-CB 4.49Å; L736-I768 HydrophobicContact CD1-CG1 3.89Å; L736-I768 HydrophobicContact CD2-CG1 4.13Å; L753-I768 HydrophobicContact CD1-CG2 4.16Å; L753-I768 HydrophobicContact CD2-CG2 3.93Å; L753-I768 HydrophobicContact CG-CG2 4.35Å; Y757-I768 HydrophobicContact CD2-CB 4.44Å; Y757-I768 HydrophobicContact CD2-CD1 4.21Å; Y757-I768 HydrophobicContact CD2-CG2 4.15Å; V764-I768 HydrophobicContact CG1-CD1 3.8Å; V764-I768 HydrophobicContact CG1-CG1 4.27Å; V764-I768 WeakPolarHBondContact O-CB 3.43Å; V764-I768 VanDerWaalsContact O-CG1 3.24Å; V764-I768 WeakPolarHBondContact O-CG1 3.3Å; V764-I768 PolarHBondContact O-N 3.26Å; K765-I768 PolarHBondContact O-N 2.52Å; R766-I768 PolarHBondContact O-N 3.08Å; I768-V770 PolarHBondContact O-N 3.04Å; I768-R771 PolarHBondContact O-N 3.37Å; I768-L772 WeakPolarHBondContact O-CB 3.28Å; I768-L772 PolarHBondContact O-N 2.93Å; I768-L800 HydrophobicContact CG2-CD1 4.32Å
769L91.8Very high89.5Confident42 Ų4246.4 Ų46.422%0.2224%0.244CC..Hα-helixtrans-63.5-41.2-178.7-66.8176000112.8Y757 K765 R766 Q767 G773 L800 R803Y757-L769 HydrophobicContact CE2-CD2 4.23Å; Y757-L769 HydrophobicContact CE2-CG 4.1Å; K765-L769 WeakPolarHBondContact O-CG 3.29Å; K765-L769 PolarHBondContact O-N 3.29Å; K765-L769 VanDerWaalsContact O-N 3.14Å; R766-L769 PolarHBondContact O-N 2.82Å; Q767-L769 VanDerWaalsContact C-N 3.32Å; Q767-L769 PolarHBondContact O-N 3.22Å; L769-G773 PolarHBondContact O-N 3.06Å; L769-L800 HydrophobicContact CD2-CB 4.36Å; L769-L800 HydrophobicContact CD2-CD1 3.91Å; L769-R803 HydrophobicContact CD2-CB 4.15Å; L769-R803 HydrophobicContact CD2-CG 4.39Å
770V91.5Very high89.1Confident62 Ų6247.5 Ų47.538%0.37626%0.256SS..Hα-helixtrans-63.4-51.6178.3172.50000110.6R766 Q767 I768 G773 P774 I1098R766-V770 WeakPolarHBondContact O-CG2 3.31Å; R766-V770 PolarHBondContact O-N 3.47Å; Q767-V770 PolarHBondContact O-N 3.48Å; I768-V770 PolarHBondContact O-N 3.04Å; V770-G773 PolarHBondContact O-N 3.21Å; V770-P774 WeakPolarHBondContact O-CD 3.33Å; V770-I1098 HydrophobicContact CG2-CD1 4.31Å
771R89.9Confident88.8Confident107 Ų10748.7 Ų48.740%0.40426%0.261SS..Hα-helixtrans-70.3-34.3-177.7-66.5-50.3-55.8-15910.1113.6D733 L736 Q767 I768 G773 P774 V775D733-R771 VanDerWaalsContact OD1-CD 3.24Å; D733-R771 WeakPolarHBondContact OD1-CD 3.4Å; D733-R771 WeakPolarHBondContact OD1-CG 3.42Å; D733-R771 IonicContact OD1-NE 3.24Å; D733-R771 WeakPolarHBondContact OD2-CD 3.25Å; D733-R771 IonicContact OD2-CZ 3.77Å; D733-R771 IonicContact OD2-NE 2.8Å; D733-R771 IonicContact OD2-NH1 3.92Å; D733-R771 PolarHBondContact OD2-NH1 2.93Å; L736-R771 HydrophobicContact CD1-CB 4.28Å; L736-R771 HydrophobicContact CD1-CG 4.37Å; Q767-R771 HydrophobicContact CG-CG 4.28Å; Q767-R771 WeakPolarHBondContact O-CB 3.46Å; Q767-R771 WeakPolarHBondContact O-CG 3.38Å; Q767-R771 PolarHBondContact O-N 3.18Å; I768-R771 PolarHBondContact O-N 3.37Å; R771-G773 VanDerWaalsContact C-N 3.33Å; R771-P774 WeakPolarHBondContact O-CD 3.16Å; R771-V775 WeakPolarHBondContact O-CG2 3.27Å
772L91Very high88.6Confident3 Ų349.7 Ų49.72%0.01626%0.264CS..Hα-helixtrans-70-32-179.7-173.265.4000111.7F739 L743 I750 L753 I768 V775 L776 L800 I804F739-L772 HydrophobicContact CE1-CD1 4.32Å; L743-L772 HydrophobicContact CD2-CD1 3.6Å; I750-L772 HydrophobicContact CD1-CD1 4.11Å; I750-L772 HydrophobicContact CD1-CD2 4.28Å; L753-L772 HydrophobicContact CD2-CD1 4.41Å; L753-L772 HydrophobicContact CD2-CD2 3.76Å; I768-L772 WeakPolarHBondContact O-CB 3.28Å; I768-L772 PolarHBondContact O-N 2.93Å; L772-V775 PolarHBondContact O-N 3.38Å; L772-V775 VanDerWaalsContact O-N 3.16Å; L772-L776 HydrophobicContact CD1-CD1 4.3Å; L772-L776 HydrophobicContact CD1-CD2 4.03Å; L772-L776 HydrophobicContact CD1-CG 3.88Å; L772-L776 HydrophobicContact CD2-CD1 3.92Å; L772-L776 HydrophobicContact CD2-CG 4.43Å; L772-L776 HydrophobicContact CG-CD1 3.61Å; L772-L776 HydrophobicContact CG-CD2 4.26Å; L772-L776 HydrophobicContact CG-CG 3.7Å; L772-L776 VanDerWaalsContact O-CG 3.29Å; L772-L776 WeakPolarHBondContact O-CG 3.39Å; L772-L776 PolarHBondContact O-N 2.66Å; L772-L800 HydrophobicContact CD2-CD1 3.57Å; L772-I804 HydrophobicContact CD2-CG1 4.26Å
773G86.3Confident88.2Confident6 Ų650 Ų506%0.06226%0.264CS..Hα-helixtrans-45.4-65.3178.800000114.9L769 V770 R771 V775 L776 N777L769-G773 PolarHBondContact O-N 3.06Å; V770-G773 PolarHBondContact O-N 3.21Å; R771-G773 VanDerWaalsContact C-N 3.33Å; G773-V775 VanDerWaalsContact C-N 3.29Å; G773-V775 PolarHBondContact O-N 2.95Å; G773-L776 PolarHBondContact O-N 3.27Å; G773-N777 PolarHBondContact O-N 2.99Å
774P87.6Confident88.1Confident66 Ų6653.3 Ų53.343%0.42928%0.278SS..Hα-helixtrans-65.1-31.3179.625.6-34000112.7V770 R771 L776 N777V770-P774 WeakPolarHBondContact O-CD 3.33Å; R771-P774 WeakPolarHBondContact O-CD 3.16Å; P774-L776 PolarHBondContact O-N 3.25Å; P774-N777 WeakPolarHBondContact O-CA 3.48Å; P774-N777 VanDerWaalsContact O-CB 3.25Å; P774-N777 WeakPolarHBondContact O-CB 3.47Å; P774-N777 PolarHBondContact O-N 3.48Å; P774-N777 VanDerWaalsContact O-N 3.08Å
775V89.5Confident87.9Confident9 Ų953.6 Ų53.66%0.05528%0.279CS..Hα-helixtrans-69.2-36.6-179.31790000111.5C740 L743 K744 R771 L772 G773 N777 E778 A779C740-V775 HydrophobicContact CB-CG1 4.28Å; C740-V775 HydrophobicContact CB-CG2 3.81Å; C740-V775 WeakPolarHBondContact O-CG1 3.38Å; L743-V775 HydrophobicContact CB-CG1 4.33Å; L743-V775 HydrophobicContact CD2-CG1 3.99Å; L743-V775 HydrophobicContact CG-CG1 4.43Å; K744-V775 HydrophobicContact CG-CG1 4.09Å; R771-V775 WeakPolarHBondContact O-CG2 3.27Å; L772-V775 PolarHBondContact O-N 3.38Å; L772-V775 VanDerWaalsContact O-N 3.16Å; G773-V775 VanDerWaalsContact C-N 3.29Å; G773-V775 PolarHBondContact O-N 2.95Å; V775-N777 PolarHBondContact O-N 3.25Å; V775-E778 PolarHBondContact O-N 3.31Å; V775-A779 PolarHBondContact O-N 3.29Å
776L86.9Confident87.8Confident4 Ų451.8 Ų51.82%0.02127%0.271CS..Hα-helixtrans-70.4-15.3173.5-62.9172000112.5L743 I750 L772 G773 P774 E778 I781 I804 Q807L743-L776 HydrophobicContact CD2-CD2 4.29Å; I750-L776 HydrophobicContact CD1-CD2 4.3Å; L772-L776 HydrophobicContact CD1-CD1 4.3Å; L772-L776 HydrophobicContact CD1-CD2 4.03Å; L772-L776 HydrophobicContact CD1-CG 3.88Å; L772-L776 HydrophobicContact CD2-CD1 3.92Å; L772-L776 HydrophobicContact CD2-CG 4.43Å; L772-L776 HydrophobicContact CG-CD1 3.61Å; L772-L776 HydrophobicContact CG-CD2 4.26Å; L772-L776 HydrophobicContact CG-CG 3.7Å; L772-L776 VanDerWaalsContact O-CG 3.29Å; L772-L776 WeakPolarHBondContact O-CG 3.39Å; L772-L776 PolarHBondContact O-N 2.66Å; G773-L776 PolarHBondContact O-N 3.27Å; P774-L776 PolarHBondContact O-N 3.25Å; L776-E778 PolarHBondContact O-N 2.81Å; L776-I781 HydrophobicContact CD2-CD1 3.62Å; L776-I804 HydrophobicContact CD1-CG1 4.01Å; L776-Q807 HydrophobicContact CB-CB 4.2Å; L776-Q807 HydrophobicContact CB-CG 3.52Å; L776-Q807 HydrophobicContact CD1-CB 4.36Å; L776-Q807 WeakPolarHBondContact O-CG 3.38Å; L776-Q807 PolarHBondContact O-NE2 2.68Å
777N83.4Confident87.6Confident82 Ų8247 Ų4744%0.43926%0.257SS..THydrogen-bonded Turntrans-75.6-3164.7-64.6-39.1000112.5G773 P774 V775 Q807 R811G773-N777 PolarHBondContact O-N 2.99Å; P774-N777 WeakPolarHBondContact O-CA 3.48Å; P774-N777 VanDerWaalsContact O-CB 3.25Å; P774-N777 WeakPolarHBondContact O-CB 3.47Å; P774-N777 PolarHBondContact O-N 3.48Å; P774-N777 VanDerWaalsContact O-N 3.08Å; V775-N777 PolarHBondContact O-N 3.25Å; N777-Q807 PolarHBondContact OD1-NE2 2.97Å; N777-Q807 PolarHBondContact OD1-OE1 3.47Å; N777-Q807 VanDerWaalsContact OD1-OE1 3.12Å; N777-R811 VanDerWaalsContact C-CZ 3.43Å; N777-R811 VanDerWaalsContact C-NH1 3.33Å; N777-R811 PolarHBondContact O-NH1 3.29Å; N777-R811 VanDerWaalsContact O-NH1 3.16Å; N777-R811 PolarHBondContact O-NH2 2.94Å
778E84Confident87.6Confident117 Ų11749 Ų4955%0.54727%0.27SS..THydrogen-bonded Turntrans-121.1-36.4176.9-67.5177.7-134.800110.5K744 V775 L776K744-E778 HydrophobicContact CD-CB 4.37Å; K744-E778 WeakPolarHBondContact CD-OE2 3.21Å; K744-E778 WeakPolarHBondContact CE-OE2 3.46Å; K744-E778 HydrophobicContact CG-CB 4.2Å; K744-E778 VanDerWaalsContact NZ-CD 3.26Å; K744-E778 IonicContact NZ-OE1 2.87Å; K744-E778 PolarHBondContact NZ-OE1 3.47Å; K744-E778 IonicContact NZ-OE2 3.04Å; K744-E778 PolarHBondContact NZ-OE2 2.92Å; V775-E778 PolarHBondContact O-N 3.31Å; L776-E778 PolarHBondContact O-N 2.81Å
779A84.5Confident87.4Confident5 Ų549 Ų494%0.04127%0.269CS..  trans-66.2135.6178.300000112.6L743 V775L743-A779 HydrophobicContact CG-CB 4.08Å; L743-A779 WeakPolarHBondContact O-CB 3.33Å; V775-A779 PolarHBondContact O-N 3.29Å
780A81.1Confident87.3Confident80 Ų8047.1 Ų47.166%0.66126%0.26SS*.  trans-95.5105.3169.500000109.5
781I85.7Confident87.2Confident32 Ų3248.6 Ų48.616%0.16427%0.265CS..  trans-90.8116.1175.5-61.4176000108.6I750 L776 T785 L786 I804I750-I781 HydrophobicContact CG1-CD1 4.35Å; L776-I781 HydrophobicContact CD2-CD1 3.62Å; I781-T785 HydrophobicContact CG2-CG2 4.29Å; I781-L786 HydrophobicContact CG2-CB 4.25Å; I781-I804 HydrophobicContact CD1-CG2 3.9Å
782E85.5Confident87.1Confident94 Ų9447.9 Ų47.944%0.43927%0.273SS..  trans-63.2144.8175.4-65.6176.2167.300111K748 E784 T785 L786K748-E782 WeakPolarHBondContact CE-OE2 3.49Å; K748-E782 IonicContact NZ-OE2 3.17Å; K748-E782 PolarHBondContact NZ-OE2 3.07Å; E782-E784 VanDerWaalsContact C-N 3.25Å; E782-E784 PolarHBondContact O-N 3.04Å; E782-T785 WeakPolarHBondContact O-CB 3.38Å; E782-T785 PolarHBondContact O-N 3.18Å; E782-L786 PolarHBondContact O-N 2.66Å
783P82.4Confident87Confident86 Ų8648 Ų4856%0.55827%0.274SS*.Hα-helixtrans-61.7-32-178.423.8-33.6000113.1L786 S787P783-L786 PolarHBondContact O-N 3.01Å; P783-S787 PolarHBondContact O-N 2.96Å
784E85.7Confident87.1Confident147 Ų14749.4 Ų49.469%0.68728%0.282SS*.Hα-helixtrans-65.5-40.1174-64.7-175.2179.200111.7E782 L786 S787 T788E782-E784 VanDerWaalsContact C-N 3.25Å; E782-E784 PolarHBondContact O-N 3.04Å; E784-L786 VanDerWaalsContact C-N 3.35Å; E784-S787 WeakPolarHBondContact O-CB 3.46Å; E784-S787 PolarHBondContact O-N 3.15Å; E784-T788 WeakPolarHBondContact O-CG2 2.85Å; E784-T788 PolarHBondContact O-N 3.23Å; E784-T788 PolarHBondContact O-OG1 3.36Å
785T89.3Confident86.9Confident6 Ų652.1 Ų52.14%0.03729%0.289CS..Hα-helixtrans-66.7-39.3176.1-58.70000110.9K748 I750 L751 I781 E782 S787 T788 L789K748-T785 HydrophobicContact CG-CG2 4.42Å; K748-T785 WeakPolarHBondContact CG-OG1 3.27Å; I750-T785 HydrophobicContact CG2-CG2 3.77Å; L751-T785 HydrophobicContact CD1-CG2 4.18Å; L751-T785 HydrophobicContact CD2-CG2 4.22Å; L751-T785 HydrophobicContact CG-CG2 3.98Å; I781-T785 HydrophobicContact CG2-CG2 4.29Å; E782-T785 WeakPolarHBondContact O-CB 3.38Å; E782-T785 PolarHBondContact O-N 3.18Å; T785-S787 VanDerWaalsContact C-N 3.33Å; T785-T788 WeakPolarHBondContact CA-OG1 3.27Å; T785-T788 PolarHBondContact O-N 2.9Å; T785-T788 PolarHBondContact O-OG1 3.36Å; T785-L789 WeakPolarHBondContact O-CB 3.28Å; T785-L789 PolarHBondContact O-N 3.31Å
786L89.6Confident86.7Confident5 Ų556.7 Ų56.73%0.02631%0.313CS..Hα-helixtrans-64-41.1173.9-177.560.8000111.2I781 E782 P783 E784 L789 I790 I804 I805 C808 L814 V818I781-L786 HydrophobicContact CG2-CB 4.25Å; E782-L786 PolarHBondContact O-N 2.66Å; P783-L786 PolarHBondContact O-N 3.01Å; E784-L786 VanDerWaalsContact C-N 3.35Å; L786-L789 HydrophobicContact CD1-CD2 4.27Å; L786-L789 WeakPolarHBondContact O-CB 3.42Å; L786-L789 PolarHBondContact O-N 3.28Å; L786-I790 HydrophobicContact CD1-CD1 4.3Å; L786-I790 HydrophobicContact CG-CD1 4.06Å; L786-I790 WeakPolarHBondContact O-CD1 3.28Å; L786-I790 VanDerWaalsContact O-CG1 3.31Å; L786-I790 WeakPolarHBondContact O-CG1 3.23Å; L786-I790 PolarHBondContact O-N 3.03Å; L786-I790 VanDerWaalsContact O-N 3.09Å; L786-I804 HydrophobicContact CD1-CG2 4.2Å; L786-I805 HydrophobicContact CD1-CG1 4.31Å; L786-C808 HydrophobicContact CD2-CB 3.9Å; L786-L814 HydrophobicContact CD2-CD2 3.98Å; L786-V818 HydrophobicContact CD2-CG1 3.94Å; L786-V818 HydrophobicContact CG-CG1 4.16Å
787S88.5Confident86.8Confident19 Ų1956.5 Ų56.513%0.13331%0.312CS..Hα-helixtrans-60.9-47.8175.1179.40000111.7P783 E784 T785 L789 I790 D791 K821P783-S787 PolarHBondContact O-N 2.96Å; E784-S787 WeakPolarHBondContact O-CB 3.46Å; E784-S787 PolarHBondContact O-N 3.15Å; T785-S787 VanDerWaalsContact C-N 3.33Å; S787-L789 VanDerWaalsContact C-N 3.28Å; S787-L789 PolarHBondContact O-N 3.29Å; S787-I790 PolarHBondContact O-N 3.17Å; S787-D791 VanDerWaalsContact O-CG 3.24Å; S787-D791 PolarHBondContact O-N 2.91Å; S787-D791 VanDerWaalsContact O-OD2 3.12Å; S787-D791 PolarHBondContact OG-OD2 2.95Å; S787-K821 WeakPolarHBondContact OG-CD 3.42Å; S787-K821 PolarHBondContact OG-NZ 2.79Å
788T90.8Very high87Confident56 Ų5654 Ų5434%0.34430%0.298SS..Hα-helixtrans-65.4-34.6179.9540000111.6L751 E784 T785 I790 D791 T792L751-T788 WeakPolarHBondContact CD2-OG1 3.33Å; E784-T788 WeakPolarHBondContact O-CG2 2.85Å; E784-T788 PolarHBondContact O-N 3.23Å; E784-T788 PolarHBondContact O-OG1 3.36Å; T785-T788 WeakPolarHBondContact CA-OG1 3.27Å; T785-T788 PolarHBondContact O-N 2.9Å; T785-T788 PolarHBondContact O-OG1 3.36Å; T788-I790 VanDerWaalsContact C-N 3.34Å; T788-I790 PolarHBondContact O-N 3.09Å; T788-D791 PolarHBondContact O-N 3.26Å; T788-T792 WeakPolarHBondContact O-CB 3.32Å; T788-T792 WeakPolarHBondContact O-CG2 3.41Å; T788-T792 PolarHBondContact O-N 3.43Å; T788-T792 PolarHBondContact O-OG1 2.94Å
789L91.3Very high87.1Confident0 Ų052.1 Ų52.10%030%0.295CS..Hα-helixtrans-59.6-43.9173.3-176.974.4000111.8L751 P754 T785 L786 S787 C793 V801 I804L751-L789 HydrophobicContact CD2-CB 3.69Å; L751-L789 HydrophobicContact CD2-CD1 4.02Å; L751-L789 HydrophobicContact CD2-CG 4.5Å; P754-L789 HydrophobicContact CG-CD1 3.47Å; P754-L789 VanDerWaalsContact CG-CD1 3.47Å; T785-L789 WeakPolarHBondContact O-CB 3.28Å; T785-L789 PolarHBondContact O-N 3.31Å; L786-L789 HydrophobicContact CD1-CD2 4.27Å; L786-L789 WeakPolarHBondContact O-CB 3.42Å; L786-L789 PolarHBondContact O-N 3.28Å; S787-L789 VanDerWaalsContact C-N 3.28Å; S787-L789 PolarHBondContact O-N 3.29Å; L789-C793 PolarHBondContact O-N 3.27Å; L789-C793 VanDerWaalsContact O-N 3.11Å; L789-V801 HydrophobicContact CG-CG2 4.46Å; L789-I804 HydrophobicContact CD2-CB 4.31Å; L789-I804 HydrophobicContact CD2-CD1 3.76Å; L789-I804 HydrophobicContact CD2-CG2 3.84Å
790I89.4Confident87.4Confident4 Ų451.9 Ų51.92%0.02129%0.293CS..Hα-helixtrans-68.9-45.5179.4-65.3156.2000110.2L786 S787 T788 T792 C793 V818 K821 I822 L825L786-I790 HydrophobicContact CD1-CD1 4.3Å; L786-I790 HydrophobicContact CG-CD1 4.06Å; L786-I790 WeakPolarHBondContact O-CD1 3.28Å; L786-I790 VanDerWaalsContact O-CG1 3.31Å; L786-I790 WeakPolarHBondContact O-CG1 3.23Å; L786-I790 PolarHBondContact O-N 3.03Å; L786-I790 VanDerWaalsContact O-N 3.09Å; S787-I790 PolarHBondContact O-N 3.17Å; T788-I790 VanDerWaalsContact C-N 3.34Å; T788-I790 PolarHBondContact O-N 3.09Å; I790-T792 VanDerWaalsContact C-N 3.28Å; I790-T792 PolarHBondContact O-N 3.48Å; I790-C793 WeakPolarHBondContact O-CB 3.19Å; I790-C793 PolarHBondContact O-N 2.69Å; I790-V818 HydrophobicContact CD1-CG1 3.63Å; I790-K821 HydrophobicContact CG2-CB 3.97Å; I790-I822 HydrophobicContact CD1-CD1 3.98Å; I790-I822 HydrophobicContact CD1-CG1 3.57Å; I790-I822 HydrophobicContact CG1-CG1 4.27Å; I790-I822 HydrophobicContact CG2-CG1 4.5Å; I790-L825 HydrophobicContact CG2-CD1 4.16Å; I790-L825 WeakPolarHBondContact O-CD1 3.46Å
791D88.6Confident87.9Confident92 Ų9248.1 Ų48.149%0.49226%0.261SS..Hα-helixtrans-63.3-33.3179.9-64.3-35.8000112.6S787 T788 K821S787-D791 VanDerWaalsContact O-CG 3.24Å; S787-D791 PolarHBondContact O-N 2.91Å; S787-D791 VanDerWaalsContact O-OD2 3.12Å; S787-D791 PolarHBondContact OG-OD2 2.95Å; T788-D791 PolarHBondContact O-N 3.26Å; D791-K821 VanDerWaalsContact CG-NZ 3.27Å; D791-K821 VanDerWaalsContact OD1-CD 3.3Å; D791-K821 WeakPolarHBondContact OD1-CD 3.38Å; D791-K821 WeakPolarHBondContact OD1-CE 3.3Å; D791-K821 IonicContact OD1-NZ 3.23Å; D791-K821 PolarHBondContact OD1-NZ 3.45Å; D791-K821 IonicContact OD2-NZ 2.66Å; D791-K821 PolarHBondContact OD2-NZ 3.14Å
792T88.5Confident88.1Confident93 Ų9347.8 Ų47.857%0.57126%0.261SS*.THydrogen-bonded Turntrans-101.310.4-176.959.90000113.6T788 I790 P794T788-T792 WeakPolarHBondContact O-CB 3.32Å; T788-T792 WeakPolarHBondContact O-CG2 3.41Å; T788-T792 PolarHBondContact O-N 3.43Å; T788-T792 PolarHBondContact O-OG1 2.94Å; I790-T792 VanDerWaalsContact C-N 3.28Å; I790-T792 PolarHBondContact O-N 3.48Å; T792-P794 VanDerWaalsContact O-CD 3.23Å; T792-P794 WeakPolarHBondContact O-CD 3.18Å; T792-P794 VanDerWaalsContact O-N 3.15Å
793C88.3Confident88.2Confident4 Ų448.3 Ų48.33%0.02726%0.259CS..PPolyproline II helixtrans-61.2116.3-177.3-176.10000110.5L789 I790 V801 L825 R829L789-C793 PolarHBondContact O-N 3.27Å; L789-C793 VanDerWaalsContact O-N 3.11Å; I790-C793 WeakPolarHBondContact O-CB 3.19Å; I790-C793 PolarHBondContact O-N 2.69Å; C793-V801 HydrophobicContact CB-CG2 4.43Å; C793-L825 HydrophobicContact CB-CD1 3.86Å; C793-R829 PolarHBondContact O-NH1 3.39Å; C793-R829 PolarHBondContact O-NH2 3.28Å
794P88.1Confident88.6Confident36 Ų3644.3 Ų44.323%0.23423%0.232CC..PPolyproline II helixtrans-69.1166.8172.129.8-33000111P754 V758 T792 A797 R829P754-P794 HydrophobicContact CB-CG 3.84Å; V758-P794 HydrophobicContact CG2-CB 4Å; V758-P794 HydrophobicContact CG2-CG 3.6Å; T792-P794 VanDerWaalsContact O-CD 3.23Å; T792-P794 WeakPolarHBondContact O-CD 3.18Å; T792-P794 VanDerWaalsContact O-N 3.15Å; P794-A797 HydrophobicContact CG-CB 3.83Å; P794-R829 VanDerWaalsContact C-NH1 3.33Å; P794-R829 PolarHBondContact O-NH1 2.85Å
795H84.3Confident88.7Confident124 Ų12437.3 Ų37.357%0.57420%0.2SC*.THydrogen-bonded Turntrans-65.3146.6171-67-78.3000110.2V758 A797V758-H795 WeakPolarHBondContact CG1-O 3.29Å; V758-H795 WeakPolarHBondContact CG2-O 3.46Å; H795-A797 PolarHBondContact O-N 3.48Å
796D84Confident88.7Confident105 Ų10544 Ų4456%0.56122%0.224SC*.THydrogen-bonded Turntrans70.27.5-176.6-51-33.5000115.8Y757 V758 E798Y757-D796 WeakPolarHBondContact CE1-O 3.34Å; V758-D796 HydrophobicContact CG1-CB 4.48Å; D796-E798 VanDerWaalsContact C-OE2 3.27Å; D796-E798 WeakPolarHBondContact CA-OE2 3.33Å; D796-E798 PolarHBondContact N-OE2 3.49Å
797A90.2Very high88.4Confident0 Ų045.2 Ų45.20%023%0.23CC..  trans-96.12.4173.200000113.5P754 Y757 V758 P794 H795 T799 L800 V801P754-A797 HydrophobicContact CB-CB 4.3Å; Y757-A797 HydrophobicContact CD1-CB 4.4Å; V758-A797 HydrophobicContact CG2-CB 3.84Å; P794-A797 HydrophobicContact CG-CB 3.83Å; H795-A797 PolarHBondContact O-N 3.48Å; A797-T799 VanDerWaalsContact C-N 3.29Å; A797-T799 PolarHBondContact O-N 3.47Å; A797-L800 WeakPolarHBondContact O-CB 3.47Å; A797-L800 PolarHBondContact O-N 2.93Å; A797-L800 VanDerWaalsContact O-N 3.13Å; A797-V801 WeakPolarHBondContact O-CG2 3.31Å; A797-V801 PolarHBondContact O-N 3.35Å
798E86.4Confident88.2Confident28 Ų2845.1 Ų45.113%0.13123%0.229CC..Hα-helixtrans-61.4-36.2-172.8-6878.4-172.700111.9D796 V801 T802 R829 P831 F835D796-E798 VanDerWaalsContact C-OE2 3.27Å; D796-E798 WeakPolarHBondContact CA-OE2 3.33Å; D796-E798 PolarHBondContact N-OE2 3.49Å; E798-V801 PolarHBondContact O-N 3.3Å; E798-T802 WeakPolarHBondContact O-CB 3.49Å; E798-T802 PolarHBondContact O-N 2.93Å; E798-T802 PolarHBondContact O-OG1 3.31Å; E798-R829 WeakPolarHBondContact OE1-CD 3.47Å; E798-R829 IonicContact OE1-CZ 3.86Å; E798-R829 IonicContact OE1-NH1 2.78Å; E798-R829 PolarHBondContact OE1-NH1 2.96Å; E798-P831 HydrophobicContact CB-CB 4.4Å; E798-P831 HydrophobicContact CG-CB 4.05Å; E798-P831 HydrophobicContact CG-CG 4.47Å; E798-F835 HydrophobicContact CB-CD2 4.24Å
799T87.6Confident87.8Confident79 Ų7943.2 Ų43.249%0.48522%0.219SC..Hα-helixtrans-65.1-41.6176.448.70000112.4Y757 A797 R803Y757-T799 WeakPolarHBondContact CE1-OG1 3.33Å; Y757-T799 PolarHBondContact OH-OG1 3.47Å; A797-T799 VanDerWaalsContact C-N 3.29Å; A797-T799 PolarHBondContact O-N 3.47Å; T799-R803 PolarHBondContact O-N 3.25Å; T799-R803 VanDerWaalsContact O-N 3.14Å
800L90.6Very high87.3Confident0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-63.9-48.8173.5175.768.2000111.1L753 P754 Y757 I768 L769 L772 A797 T802 R803 I804L753-L800 HydrophobicContact CB-CD2 4.46Å; L753-L800 HydrophobicContact CD2-CD1 3.95Å; L753-L800 HydrophobicContact CD2-CD2 4.09Å; L753-L800 HydrophobicContact CG-CD2 3.99Å; P754-L800 HydrophobicContact CG-CD2 4.4Å; Y757-L800 HydrophobicContact CD1-CB 3.88Å; Y757-L800 HydrophobicContact CD1-CD2 4.33Å; Y757-L800 HydrophobicContact CD2-CB 4.16Å; Y757-L800 HydrophobicContact CD2-CD1 4.41Å; Y757-L800 HydrophobicContact CD2-CD2 4.19Å; Y757-L800 HydrophobicContact CD2-CG 4.48Å; Y757-L800 HydrophobicContact CE1-CB 3.87Å; Y757-L800 HydrophobicContact CE2-CB 4.16Å; Y757-L800 HydrophobicContact CG-CB 4.01Å; Y757-L800 HydrophobicContact CG-CD2 3.83Å; Y757-L800 HydrophobicContact CG-CG 4.42Å; I768-L800 HydrophobicContact CG2-CD1 4.32Å; L769-L800 HydrophobicContact CD2-CB 4.36Å; L769-L800 HydrophobicContact CD2-CD1 3.91Å; L772-L800 HydrophobicContact CD2-CD1 3.57Å; A797-L800 WeakPolarHBondContact O-CB 3.47Å; A797-L800 PolarHBondContact O-N 2.93Å; A797-L800 VanDerWaalsContact O-N 3.13Å; L800-T802 VanDerWaalsContact C-N 3.33Å; L800-T802 PolarHBondContact O-N 3.24Å; L800-R803 WeakPolarHBondContact O-CB 3.08Å; L800-R803 PolarHBondContact O-N 3.35Å; L800-R803 VanDerWaalsContact O-N 3.15Å; L800-I804 HydrophobicContact CD1-CD1 4.16Å; L800-I804 HydrophobicContact CG-CD1 3.94Å; L800-I804 WeakPolarHBondContact O-CG1 3.37Å; L800-I804 PolarHBondContact O-N 2.79Å
801V91Very high86.8Confident0 Ų053.4 Ų53.40%027%0.27CS..Hα-helixtrans-64.2-39.8-179.51740000110.8L789 C793 A797 E798 R803 I804 I805 F835L789-V801 HydrophobicContact CG-CG2 4.46Å; C793-V801 HydrophobicContact CB-CG2 4.43Å; A797-V801 WeakPolarHBondContact O-CG2 3.31Å; A797-V801 PolarHBondContact O-N 3.35Å; E798-V801 PolarHBondContact O-N 3.3Å; V801-R803 VanDerWaalsContact C-N 3.3Å; V801-R803 PolarHBondContact O-N 2.98Å; V801-I804 PolarHBondContact O-N 3.37Å; V801-I805 HydrophobicContact CG1-CD1 3.54Å; V801-I805 HydrophobicContact CG1-CG1 4.05Å; V801-I805 VanDerWaalsContact O-CG1 3.23Å; V801-I805 WeakPolarHBondContact O-CG1 3.44Å; V801-I805 PolarHBondContact O-N 3.4Å; V801-F835 HydrophobicContact CB-CE2 4.46Å; V801-F835 HydrophobicContact CG1-CE2 4.07Å
802T89.8Confident86.1Confident26 Ų2652.4 Ų52.416%0.1627%0.27CS..Hα-helixtrans-56.6-44.3173.1-55.10000111.2E798 L800 I805 R806 F835 P838E798-T802 WeakPolarHBondContact O-CB 3.49Å; E798-T802 PolarHBondContact O-N 2.93Å; E798-T802 PolarHBondContact O-OG1 3.31Å; L800-T802 VanDerWaalsContact C-N 3.33Å; L800-T802 PolarHBondContact O-N 3.24Å; T802-I805 PolarHBondContact O-N 3.48Å; T802-R806 VanDerWaalsContact O-CB 3.27Å; T802-R806 WeakPolarHBondContact O-CB 3.37Å; T802-R806 PolarHBondContact O-N 3Å; T802-F835 WeakPolarHBondContact OG1-CD2 3.26Å; T802-P838 HydrophobicContact CG2-CG 4.33Å
803R88.5Confident85.7Confident105 Ų10553.2 Ų53.240%0.39627%0.27SS..Hα-helixtrans-63.9-41.6178.3-173.764.4173.1-1741.8111.8L769 T799 L800 V801 Q807L769-R803 HydrophobicContact CD2-CB 4.15Å; L769-R803 HydrophobicContact CD2-CG 4.39Å; T799-R803 PolarHBondContact O-N 3.25Å; T799-R803 VanDerWaalsContact O-N 3.14Å; L800-R803 WeakPolarHBondContact O-CB 3.08Å; L800-R803 PolarHBondContact O-N 3.35Å; L800-R803 VanDerWaalsContact O-N 3.15Å; V801-R803 VanDerWaalsContact C-N 3.3Å; V801-R803 PolarHBondContact O-N 2.98Å; R803-Q807 PolarHBondContact O-N 2.86Å
804I90Very high85.5Confident1 Ų153.6 Ų53.61%0.00527%0.272CS..Hα-helixtrans-66.6-48.3177.5-64.5163.4000110.6I750 L772 L776 I781 L786 L789 L800 V801 R806 Q807 C808I750-I804 HydrophobicContact CD1-CD1 3.85Å; I750-I804 HydrophobicContact CD1-CG1 4.39Å; I750-I804 HydrophobicContact CG1-CD1 3.72Å; I750-I804 HydrophobicContact CG1-CG1 4.45Å; L772-I804 HydrophobicContact CD2-CG1 4.26Å; L776-I804 HydrophobicContact CD1-CG1 4.01Å; I781-I804 HydrophobicContact CD1-CG2 3.9Å; L786-I804 HydrophobicContact CD1-CG2 4.2Å; L789-I804 HydrophobicContact CD2-CB 4.31Å; L789-I804 HydrophobicContact CD2-CD1 3.76Å; L789-I804 HydrophobicContact CD2-CG2 3.84Å; L800-I804 HydrophobicContact CD1-CD1 4.16Å; L800-I804 HydrophobicContact CG-CD1 3.94Å; L800-I804 WeakPolarHBondContact O-CG1 3.37Å; L800-I804 PolarHBondContact O-N 2.79Å; V801-I804 PolarHBondContact O-N 3.37Å; I804-R806 VanDerWaalsContact C-N 3.34Å; I804-R806 PolarHBondContact O-N 2.98Å; I804-Q807 PolarHBondContact O-N 3.18Å; I804-Q807 VanDerWaalsContact O-N 3.14Å; I804-C808 PolarHBondContact O-N 3.18Å; I804-C808 PolarHBondContact O-SG 3.42Å; I804-C808 VanDerWaalsContact O-SG 3.38Å
805I88.8Confident85.3Confident0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-60.6-44.5178.1-63.5166.5000110.2L786 V801 T802 Q807 C808 A809 L814 I822 F835 P838 V839L786-I805 HydrophobicContact CD1-CG1 4.31Å; V801-I805 HydrophobicContact CG1-CD1 3.54Å; V801-I805 HydrophobicContact CG1-CG1 4.05Å; V801-I805 VanDerWaalsContact O-CG1 3.23Å; V801-I805 WeakPolarHBondContact O-CG1 3.44Å; V801-I805 PolarHBondContact O-N 3.4Å; T802-I805 PolarHBondContact O-N 3.48Å; I805-Q807 PolarHBondContact O-N 2.96Å; I805-C808 PolarHBondContact O-N 3.01Å; I805-A809 WeakPolarHBondContact O-CB 3.24Å; I805-A809 PolarHBondContact O-N 3.35Å; I805-L814 HydrophobicContact CG2-CD1 4.39Å; I805-I822 HydrophobicContact CD1-CD1 3.82Å; I805-I822 HydrophobicContact CD1-CG1 3.92Å; I805-I822 HydrophobicContact CD1-CG2 4.38Å; I805-I822 HydrophobicContact CG1-CD1 4.22Å; I805-I822 HydrophobicContact CG2-CD1 3.84Å; I805-F835 HydrophobicContact CD1-CE2 4.21Å; I805-F835 HydrophobicContact CD1-CZ 4.07Å; I805-P838 HydrophobicContact CB-CB 4.33Å; I805-P838 HydrophobicContact CB-CG 4.41Å; I805-P838 HydrophobicContact CG2-CB 3.58Å; I805-P838 HydrophobicContact CG2-CG 4.13Å; I805-V839 HydrophobicContact CG2-CG1 3.99Å
806R87.7Confident85.2Confident146 Ų14652.8 Ų52.855%0.55128%0.281SS*.Hα-helixtrans-51.9-42.6176.2-175.7174176169.1-1.2111.6T802 I804 S810 P838T802-R806 VanDerWaalsContact O-CB 3.27Å; T802-R806 WeakPolarHBondContact O-CB 3.37Å; T802-R806 PolarHBondContact O-N 3Å; I804-R806 VanDerWaalsContact C-N 3.34Å; I804-R806 PolarHBondContact O-N 2.98Å; R806-S810 PolarHBondContact O-N 2.95Å; R806-P838 HydrophobicContact CB-CB 4.39Å; R806-P838 HydrophobicContact CB-CG 3.77Å; R806-P838 HydrophobicContact CG-CG 4.47Å
807Q83.5Confident85.2Confident32 Ų3253.3 Ų53.315%0.1528%0.284CS..Hα-helixtrans-76.9-37.5-178.8-174.654.229.200113.3L776 N777 R803 I804 I805 A809 S810L776-Q807 HydrophobicContact CB-CB 4.2Å; L776-Q807 HydrophobicContact CB-CG 3.52Å; L776-Q807 HydrophobicContact CD1-CB 4.36Å; L776-Q807 WeakPolarHBondContact O-CG 3.38Å; L776-Q807 PolarHBondContact O-NE2 2.68Å; N777-Q807 PolarHBondContact OD1-NE2 2.97Å; N777-Q807 PolarHBondContact OD1-OE1 3.47Å; N777-Q807 VanDerWaalsContact OD1-OE1 3.12Å; R803-Q807 PolarHBondContact O-N 2.86Å; I804-Q807 PolarHBondContact O-N 3.18Å; I804-Q807 VanDerWaalsContact O-N 3.14Å; I805-Q807 PolarHBondContact O-N 2.96Å; Q807-A809 VanDerWaalsContact C-N 3.34Å; Q807-S810 PolarHBondContact O-N 3.13Å; Q807-S810 PolarHBondContact O-OG 2.94Å
808C84Confident85.2Confident16 Ų1653.8 Ų53.811%0.10829%0.286CS..Hα-helixtrans-65.5-40.4173.7-66.50000111.6L786 I804 I805 S810 R811 S812 L814L786-C808 HydrophobicContact CD2-CB 3.9Å; I804-C808 PolarHBondContact O-N 3.18Å; I804-C808 PolarHBondContact O-SG 3.42Å; I804-C808 VanDerWaalsContact O-SG 3.38Å; I805-C808 PolarHBondContact O-N 3.01Å; C808-S810 VanDerWaalsContact C-N 3.31Å; C808-S810 PolarHBondContact O-N 3.49Å; C808-R811 PolarHBondContact O-N 3.35Å; C808-S812 PolarHBondContact O-N 3Å; C808-S812 PolarHBondContact O-OG 3.39Å; C808-L814 HydrophobicContact CB-CD2 4.3Å
809A83.6Confident85.3Confident17 Ų1753 Ų5314%0.1428%0.284CS..Hα-helixtrans-68-26.5-179.700000113.4I805 Q807 L814 P838I805-A809 WeakPolarHBondContact O-CB 3.24Å; I805-A809 PolarHBondContact O-N 3.35Å; Q807-A809 VanDerWaalsContact C-N 3.34Å; A809-L814 HydrophobicContact CB-CD1 3.9Å; A809-L814 HydrophobicContact CB-CG 4.3Å; A809-P838 HydrophobicContact CB-CB 4.18Å
810S81Confident85.3Confident83 Ų8355 Ų5558%0.5829%0.288SS*.Hα-helixtrans-77.3-22.1178.167.30000113.3R806 Q807 C808R806-S810 PolarHBondContact O-N 2.95Å; Q807-S810 PolarHBondContact O-N 3.13Å; Q807-S810 PolarHBondContact O-OG 2.94Å; C808-S810 VanDerWaalsContact C-N 3.31Å; C808-S810 PolarHBondContact O-N 3.49Å
811R78.2Confident85.2Confident135 Ų13558 Ų5851%0.50930%0.301SS..Hα-helixtrans-97.4-31.9-176.1-69.1-177.6166.5-136.9-40.5114.3N777 C808N777-R811 VanDerWaalsContact C-CZ 3.43Å; N777-R811 VanDerWaalsContact C-NH1 3.33Å; N777-R811 PolarHBondContact O-NH1 3.29Å; N777-R811 VanDerWaalsContact O-NH1 3.16Å; N777-R811 PolarHBondContact O-NH2 2.94Å; C808-R811 PolarHBondContact O-N 3.35Å
812S74.9Confident85.1Confident70 Ų7058 Ų5849%0.4930%0.301SS..SBendtrans-149.6151.8-167.862.60000111.3C808 L814C808-S812 PolarHBondContact O-N 3Å; C808-S812 PolarHBondContact O-OG 3.39Å; S812-L814 PolarHBondContact O-N 3.07Å
813I79.4Confident85.1Confident111 Ų11157.8 Ų57.857%0.56930%0.297SS*.PPolyproline II helixtrans-67.4123.8172.8-56.8175000107.5Y842 P876I813-Y842 HydrophobicContact CG2-CE1 4.07Å; I813-P876 HydrophobicContact CD1-CB 4.38Å; I813-P876 HydrophobicContact CG1-CB 4.23Å; I813-P876 HydrophobicContact CG2-CG 4.37Å
814L83.4Confident85.2Confident12 Ų1256 Ų566%0.06330%0.295CS..PPolyproline II helixtrans-73135178.4-65.4176000110L786 I805 C808 A809 S812 V819 V839 Y842L786-L814 HydrophobicContact CD2-CD2 3.98Å; I805-L814 HydrophobicContact CG2-CD1 4.39Å; C808-L814 HydrophobicContact CB-CD2 4.3Å; A809-L814 HydrophobicContact CB-CD1 3.9Å; A809-L814 HydrophobicContact CB-CG 4.3Å; S812-L814 PolarHBondContact O-N 3.07Å; L814-V819 HydrophobicContact CB-CG2 3.93Å; L814-V839 HydrophobicContact CD1-CG1 3.69Å; L814-Y842 HydrophobicContact CB-CE2 4.27Å; L814-Y842 HydrophobicContact CD1-CE2 4.12Å; L814-Y842 HydrophobicContact CG-CE2 4.37Å; L814-Y842 PolarHBondContact N-OH 2.91Å; L814-Y842 VanDerWaalsContact N-OH 3.13Å
815A83.8Confident85.1Confident43 Ų4356.7 Ų56.736%0.35530%0.299SS..PPolyproline II helixtrans-63.3143175.100000110.6N817 V818 V819A815-N817 PolarHBondContact O-N 3.34Å; A815-V818 HydrophobicContact CB-CG2 4.24Å; A815-V818 WeakPolarHBondContact O-CB 3.39Å; A815-V818 PolarHBondContact O-N 2.72Å; A815-V819 PolarHBondContact O-N 2.94Å
816P82.1Confident85.2Confident100 Ų10057.9 Ų57.965%0.64930%0.304SS*.Hα-helixtrans-59-34.7-17622.8-33.7000112.7V818 V819 Q820P816-V818 VanDerWaalsContact C-N 3.29Å; P816-V818 PolarHBondContact O-N 2.95Å; P816-V819 PolarHBondContact O-N 3.4Å; P816-Q820 PolarHBondContact O-N 2.71Å
817N85.9Confident85.2Confident116 Ų11656.1 Ų56.162%0.6230%0.302SS*.Hα-helixtrans-61.6-37.1176.3-61.6-8.6000112.3A815 K821A815-N817 PolarHBondContact O-N 3.34Å; N817-K821 WeakPolarHBondContact O-CG 3.4Å; N817-K821 PolarHBondContact O-N 3.11Å; N817-K821 VanDerWaalsContact O-N 3.16Å
818V89.1Confident85.3Confident9 Ų961 Ų616%0.05533%0.329CS..Hα-helixtrans-70.9-43.5178178.40000109.7L786 I790 A815 P816 Q820 K821 I822L786-V818 HydrophobicContact CD2-CG1 3.94Å; L786-V818 HydrophobicContact CG-CG1 4.16Å; I790-V818 HydrophobicContact CD1-CG1 3.63Å; A815-V818 HydrophobicContact CB-CG2 4.24Å; A815-V818 WeakPolarHBondContact O-CB 3.39Å; A815-V818 PolarHBondContact O-N 2.72Å; P816-V818 VanDerWaalsContact C-N 3.29Å; P816-V818 PolarHBondContact O-N 2.95Å; V818-Q820 VanDerWaalsContact C-N 3.32Å; V818-Q820 PolarHBondContact O-N 3.23Å; V818-K821 PolarHBondContact O-N 3.09Å; V818-I822 HydrophobicContact CG1-CD1 4.01Å; V818-I822 VanDerWaalsContact O-CG1 3.29Å; V818-I822 WeakPolarHBondContact O-CG1 3.48Å; V818-I822 PolarHBondContact O-N 2.99Å
819V88.3Confident85.4Confident13 Ų1364 Ų648%0.07934%0.338CS..Hα-helixtrans-59.7-43.4176.4178.60000111.2L814 A815 P816 K821 I822 W823 Y842L814-V819 HydrophobicContact CB-CG2 3.93Å; A815-V819 PolarHBondContact O-N 2.94Å; P816-V819 PolarHBondContact O-N 3.4Å; V819-K821 VanDerWaalsContact C-N 3.34Å; V819-K821 PolarHBondContact O-N 3.2Å; V819-I822 WeakPolarHBondContact O-CB 3.34Å; V819-I822 PolarHBondContact O-N 3.09Å; V819-W823 PolarHBondContact O-N 3.23Å; V819-Y842 HydrophobicContact CG2-CD1 4.29Å; V819-Y842 HydrophobicContact CG2-CD2 4.22Å; V819-Y842 HydrophobicContact CG2-CG 3.93Å
820Q88.1Confident85.2Confident121 Ų12171 Ų7157%0.56537%0.365SS*.Hα-helixtrans-63.7-39.2177.7-171.11719.300112.2P816 V818 W823 N824P816-Q820 PolarHBondContact O-N 2.71Å; V818-Q820 VanDerWaalsContact C-N 3.32Å; V818-Q820 PolarHBondContact O-N 3.23Å; Q820-W823 WeakPolarHBondContact O-CB 3.4Å; Q820-W823 PolarHBondContact O-N 3.31Å; Q820-N824 PolarHBondContact O-N 3.05Å; Q820-N824 PolarHBondContact O-OD1 3.43Å
821K88.3Confident85.1Confident63 Ų6368.3 Ų68.327%0.27435%0.345SS..Hα-helixtrans-64.4-40174.3-73.9177.7169.5-159.80112.8S787 I790 D791 N817 V818 V819 W823 N824 L825S787-K821 WeakPolarHBondContact OG-CD 3.42Å; S787-K821 PolarHBondContact OG-NZ 2.79Å; I790-K821 HydrophobicContact CG2-CB 3.97Å; D791-K821 VanDerWaalsContact CG-NZ 3.27Å; D791-K821 VanDerWaalsContact OD1-CD 3.3Å; D791-K821 WeakPolarHBondContact OD1-CD 3.38Å; D791-K821 WeakPolarHBondContact OD1-CE 3.3Å; D791-K821 IonicContact OD1-NZ 3.23Å; D791-K821 PolarHBondContact OD1-NZ 3.45Å; D791-K821 IonicContact OD2-NZ 2.66Å; D791-K821 PolarHBondContact OD2-NZ 3.14Å; N817-K821 WeakPolarHBondContact O-CG 3.4Å; N817-K821 PolarHBondContact O-N 3.11Å; N817-K821 VanDerWaalsContact O-N 3.16Å; V818-K821 PolarHBondContact O-N 3.09Å; V819-K821 VanDerWaalsContact C-N 3.34Å; V819-K821 PolarHBondContact O-N 3.2Å; K821-W823 VanDerWaalsContact C-N 3.31Å; K821-N824 PolarHBondContact O-N 3.39Å; K821-L825 WeakPolarHBondContact O-CB 3.27Å; K821-L825 PolarHBondContact O-N 3.44Å
822I89.8Confident85.4Confident0 Ų065.3 Ų65.30%034%0.34CS..Hα-helixtrans-61.7-43.5174.3-65.8166.8000110.1I790 I805 V818 V819 L825 Y826 F835 L836 V839I790-I822 HydrophobicContact CD1-CD1 3.98Å; I790-I822 HydrophobicContact CD1-CG1 3.57Å; I790-I822 HydrophobicContact CG1-CG1 4.27Å; I790-I822 HydrophobicContact CG2-CG1 4.5Å; I805-I822 HydrophobicContact CD1-CD1 3.82Å; I805-I822 HydrophobicContact CD1-CG1 3.92Å; I805-I822 HydrophobicContact CD1-CG2 4.38Å; I805-I822 HydrophobicContact CG1-CD1 4.22Å; I805-I822 HydrophobicContact CG2-CD1 3.84Å; V818-I822 HydrophobicContact CG1-CD1 4.01Å; V818-I822 VanDerWaalsContact O-CG1 3.29Å; V818-I822 WeakPolarHBondContact O-CG1 3.48Å; V818-I822 PolarHBondContact O-N 2.99Å; V819-I822 WeakPolarHBondContact O-CB 3.34Å; V819-I822 PolarHBondContact O-N 3.09Å; I822-L825 PolarHBondContact O-N 2.91Å; I822-Y826 PolarHBondContact O-N 3.22Å; I822-F835 HydrophobicContact CG2-CD1 4.33Å; I822-F835 HydrophobicContact CG2-CE1 3.52Å; I822-F835 HydrophobicContact CG2-CZ 4Å; I822-L836 HydrophobicContact CG2-CD2 4.15Å; I822-V839 HydrophobicContact CD1-CG1 3.66Å; I822-V839 HydrophobicContact CG2-CG1 4.29Å; I822-V839 HydrophobicContact CG2-CG2 3.88Å
823W89.9Confident85.9Confident20 Ų2062.6 Ų62.68%0.07632%0.32CS..Hα-helixtrans-60.8-50.2176.1179.5-93000112.1V819 Q820 K821 L825 Y826 E827 L836 L843 Q847 S850 I851V819-W823 PolarHBondContact O-N 3.23Å; Q820-W823 WeakPolarHBondContact O-CB 3.4Å; Q820-W823 PolarHBondContact O-N 3.31Å; K821-W823 VanDerWaalsContact C-N 3.31Å; W823-L825 VanDerWaalsContact C-N 3.28Å; W823-L825 PolarHBondContact O-N 2.96Å; W823-Y826 WeakPolarHBondContact O-CB 3.43Å; W823-Y826 PolarHBondContact O-N 2.91Å; W823-Y826 VanDerWaalsContact O-N 3.07Å; W823-E827 PolarHBondContact NE1-OE2 2.79Å; W823-E827 PolarHBondContact O-N 3.23Å; W823-L836 HydrophobicContact CE3-CD1 4.26Å; W823-L836 HydrophobicContact CE3-CD2 4.46Å; W823-L836 HydrophobicContact CZ3-CD1 3.87Å; W823-L843 HydrophobicContact CE3-CD1 4.39Å; W823-L843 HydrophobicContact CE3-CD2 3.6Å; W823-L843 HydrophobicContact CZ3-CD1 4.1Å; W823-L843 HydrophobicContact CZ3-CD2 4.08Å; W823-Q847 HydrophobicContact CD2-CG 4.05Å; W823-Q847 HydrophobicContact CE3-CB 4.2Å; W823-Q847 HydrophobicContact CE3-CG 4.22Å; W823-Q847 HydrophobicContact CH2-CB 3.44Å; W823-Q847 VanDerWaalsContact CH2-CB 3.44Å; W823-Q847 HydrophobicContact CH2-CG 3.72Å; W823-Q847 HydrophobicContact CZ2-CB 3.83Å; W823-Q847 HydrophobicContact CZ2-CG 3.54Å; W823-Q847 HydrophobicContact CZ3-CB 3.66Å; W823-Q847 HydrophobicContact CZ3-CG 4.07Å; W823-S850 WeakPolarHBondContact CH2-OG 3.3Å; W823-I851 HydrophobicContact CH2-CG2 3.88Å; W823-I851 HydrophobicContact CZ3-CG2 4.03Å
824N90.1Very high86.2Confident68 Ų6861.7 Ų61.736%0.36431%0.31SS..Hα-helixtrans-58.7-41.9179.2-64.7-5.2000111.3Q820 K821 Y826 E827 D828Q820-N824 PolarHBondContact O-N 3.05Å; Q820-N824 PolarHBondContact O-OD1 3.43Å; K821-N824 PolarHBondContact O-N 3.39Å; N824-Y826 VanDerWaalsContact C-N 3.31Å; N824-Y826 PolarHBondContact O-N 3.46Å; N824-E827 PolarHBondContact O-N 2.94Å; N824-D828 WeakPolarHBondContact O-CB 3.41Å; N824-D828 PolarHBondContact O-N 3.41Å
825L87.5Confident86.5Confident15 Ų1561.3 Ų61.38%0.07931%0.307CS..Hα-helixtrans-62.8-38.2177.1-171.7143.1000112.2I790 C793 K821 I822 W823 R829 F835I790-L825 HydrophobicContact CG2-CD1 4.16Å; I790-L825 WeakPolarHBondContact O-CD1 3.46Å; C793-L825 HydrophobicContact CB-CD1 3.86Å; K821-L825 WeakPolarHBondContact O-CB 3.27Å; K821-L825 PolarHBondContact O-N 3.44Å; I822-L825 PolarHBondContact O-N 2.91Å; W823-L825 VanDerWaalsContact C-N 3.28Å; W823-L825 PolarHBondContact O-N 2.96Å; L825-R829 PolarHBondContact O-N 3.06Å; L825-F835 HydrophobicContact CD2-CE1 3.89Å; L825-F835 HydrophobicContact CD2-CE2 4.07Å; L825-F835 HydrophobicContact CD2-CZ 3.54Å
826Y89.9Confident86.8Confident26 Ų2659.2 Ų59.210%0.10229%0.29CS..Hα-helixtrans-67.1-43.7173.6174-92.4000112I822 W823 N824 K830 P831 F835 L836 I851I822-Y826 PolarHBondContact O-N 3.22Å; W823-Y826 WeakPolarHBondContact O-CB 3.43Å; W823-Y826 PolarHBondContact O-N 2.91Å; W823-Y826 VanDerWaalsContact O-N 3.07Å; N824-Y826 VanDerWaalsContact C-N 3.31Å; N824-Y826 PolarHBondContact O-N 3.46Å; Y826-K830 WeakPolarHBondContact O-CA 3.39Å; Y826-K830 PolarHBondContact O-N 3.46Å; Y826-P831 HydrophobicContact CD2-CG 3.82Å; Y826-P831 VanDerWaalsContact CE2-O 3.31Å; Y826-P831 WeakPolarHBondContact CE2-O 3.46Å; Y826-P831 WeakPolarHBondContact O-CD 3.39Å; Y826-F835 HydrophobicContact CD2-CD1 4.33Å; Y826-L836 HydrophobicContact CD1-CD1 3.64Å; Y826-L836 HydrophobicContact CD1-CG 4.35Å; Y826-L836 HydrophobicContact CD2-CD1 3.75Å; Y826-L836 HydrophobicContact CD2-CD2 4.26Å; Y826-L836 HydrophobicContact CD2-CG 3.72Å; Y826-L836 HydrophobicContact CE1-CD1 3.76Å; Y826-L836 HydrophobicContact CE2-CD1 3.87Å; Y826-L836 HydrophobicContact CE2-CG 4.16Å; Y826-L836 HydrophobicContact CG-CD1 3.64Å; Y826-L836 HydrophobicContact CG-CD2 3.97Å; Y826-L836 HydrophobicContact CG-CG 3.83Å; Y826-I851 HydrophobicContact CE1-CG2 3.72Å
827E87.9Confident87Confident109 Ų10956.6 Ų56.651%0.50927%0.268SS..Hα-helixtrans-65.7-40.4-178.4-171.3166.1-172.600112.1W823 N824W823-E827 PolarHBondContact NE1-OE2 2.79Å; W823-E827 PolarHBondContact O-N 3.23Å; N824-E827 PolarHBondContact O-N 2.94Å
828D86.5Confident87Confident134 Ų13451.5 Ų51.572%0.71724%0.241SC*.Hα-helixtrans-69.7-41.6-179.2-71.2-16.5000112.6N824N824-D828 WeakPolarHBondContact O-CB 3.41Å; N824-D828 PolarHBondContact O-N 3.41Å
829R85.3Confident86.9Confident79 Ų7951.1 Ų51.130%0.29824%0.238SC..Hα-helixtrans-102.5-18.2-173.4-63.6-174.6-178.4-177.23.9114.5C793 P794 E798 L825C793-R829 PolarHBondContact O-NH1 3.39Å; C793-R829 PolarHBondContact O-NH2 3.28Å; P794-R829 VanDerWaalsContact C-NH1 3.33Å; P794-R829 PolarHBondContact O-NH1 2.85Å; E798-R829 WeakPolarHBondContact OE1-CD 3.47Å; E798-R829 IonicContact OE1-CZ 3.86Å; E798-R829 IonicContact OE1-NH1 2.78Å; E798-R829 PolarHBondContact OE1-NH1 2.96Å; L825-R829 PolarHBondContact O-N 3.06Å
830K79.1Confident86.7Confident164 Ų16450.8 Ų50.871%0.71324%0.236SC*.  trans41.356.4-169.9-62.7-176.3-179.71750112.8Y826Y826-K830 WeakPolarHBondContact O-CA 3.39Å; Y826-K830 PolarHBondContact O-N 3.46Å
831P78.9Confident86.5Confident26 Ų2647 Ų4717%0.16922%0.218CC..  trans-67177.9173.333.7-34.1000109.9E798 Y826 V833 F835E798-P831 HydrophobicContact CB-CB 4.4Å; E798-P831 HydrophobicContact CG-CB 4.05Å; E798-P831 HydrophobicContact CG-CG 4.47Å; Y826-P831 HydrophobicContact CD2-CG 3.82Å; Y826-P831 VanDerWaalsContact CE2-O 3.31Å; Y826-P831 WeakPolarHBondContact CE2-O 3.46Å; Y826-P831 WeakPolarHBondContact O-CD 3.39Å; P831-V833 PolarHBondContact O-N 3.39Å; P831-F835 HydrophobicContact CG-CB 4.13Å; P831-F835 HydrophobicContact CG-CD1 4.24Å; P831-F835 HydrophobicContact CG-CG 4.11Å
832D85.2Confident86.4Confident72 Ų7245.4 Ų45.439%0.38521%0.21SC..  trans-49.4133.3172.8-169.4-36.4000111.7R834 F835D832-R834 VanDerWaalsContact CG-NE 3.3Å; D832-R834 PolarHBondContact O-N 2.96Å; D832-R834 WeakPolarHBondContact OD1-CB 3.48Å; D832-R834 WeakPolarHBondContact OD1-CG 3.28Å; D832-R834 PolarHBondContact OD1-N 2.86Å; D832-R834 IonicContact OD1-NE 3.47Å; D832-R834 PolarHBondContact OD1-NE 3.44Å; D832-R834 IonicContact OD2-CZ 2.72Å; D832-R834 IonicContact OD2-NE 3.15Å; D832-R834 PolarHBondContact OD2-NE 3.03Å; D832-R834 IonicContact OD2-NH2 3.4Å; D832-R834 PolarHBondContact OD2-NH2 2.97Å; D832-F835 WeakPolarHBondContact O-CB 3.26Å; D832-F835 PolarHBondContact O-N 3.39Å
833V86.4Confident86.2Confident14 Ų1445.7 Ų45.79%0.08521%0.212CC..G310 helixtrans-52.2-27.2179.8-171.80000112.3P831 F835 L836 A854 V855P831-V833 PolarHBondContact O-N 3.39Å; V833-F835 PolarHBondContact O-N 3.47Å; V833-F835 VanDerWaalsContact O-N 3.11Å; V833-L836 PolarHBondContact O-N 2.9Å; V833-A854 HydrophobicContact CG2-CB 3.23Å; V833-V855 HydrophobicContact CG1-CG2 3.76Å
834R85.9Confident86Confident91 Ų9147.4 Ų47.434%0.34323%0.227SC..G310 helixtrans-55.7-24.9174.4-63.9-170.3-71.5169.20.7113.4D832 L836 W837D832-R834 VanDerWaalsContact CG-NE 3.3Å; D832-R834 PolarHBondContact O-N 2.96Å; D832-R834 WeakPolarHBondContact OD1-CB 3.48Å; D832-R834 WeakPolarHBondContact OD1-CG 3.28Å; D832-R834 PolarHBondContact OD1-N 2.86Å; D832-R834 IonicContact OD1-NE 3.47Å; D832-R834 PolarHBondContact OD1-NE 3.44Å; D832-R834 IonicContact OD2-CZ 2.72Å; D832-R834 IonicContact OD2-NE 3.15Å; D832-R834 PolarHBondContact OD2-NE 3.03Å; D832-R834 IonicContact OD2-NH2 3.4Å; D832-R834 PolarHBondContact OD2-NH2 2.97Å; R834-L836 PolarHBondContact O-N 3.31Å; R834-W837 HydrophobicContact CB-CD2 4.1Å; R834-W837 HydrophobicContact CB-CE3 3.4Å; R834-W837 VanDerWaalsContact CB-CE3 3.4Å; R834-W837 HydrophobicContact CB-CH2 4.16Å; R834-W837 HydrophobicContact CB-CZ3 3.49Å; R834-W837 VanDerWaalsContact CB-CZ3 3.49Å; R834-W837 HydrophobicContact CG-CD2 4.15Å; R834-W837 HydrophobicContact CG-CE3 3.53Å; R834-W837 HydrophobicContact CG-CH2 3.28Å; R834-W837 HydrophobicContact CG-CZ2 3.9Å; R834-W837 HydrophobicContact CG-CZ3 3.1Å; R834-W837 WeakPolarHBondContact O-CB 3.41Å; R834-W837 PolarHBondContact O-N 2.86Å
835F88.9Confident85.6Confident4 Ų449 Ų492%0.01823%0.231CC..G310 helixtrans-57-35.6172.4179.2-98.8000112.5E798 V801 T802 I805 I822 L825 Y826 P831 D832 V833 P838E798-F835 HydrophobicContact CB-CD2 4.24Å; V801-F835 HydrophobicContact CB-CE2 4.46Å; V801-F835 HydrophobicContact CG1-CE2 4.07Å; T802-F835 WeakPolarHBondContact OG1-CD2 3.26Å; I805-F835 HydrophobicContact CD1-CE2 4.21Å; I805-F835 HydrophobicContact CD1-CZ 4.07Å; I822-F835 HydrophobicContact CG2-CD1 4.33Å; I822-F835 HydrophobicContact CG2-CE1 3.52Å; I822-F835 HydrophobicContact CG2-CZ 4Å; L825-F835 HydrophobicContact CD2-CE1 3.89Å; L825-F835 HydrophobicContact CD2-CE2 4.07Å; L825-F835 HydrophobicContact CD2-CZ 3.54Å; Y826-F835 HydrophobicContact CD2-CD1 4.33Å; P831-F835 HydrophobicContact CG-CB 4.13Å; P831-F835 HydrophobicContact CG-CD1 4.24Å; P831-F835 HydrophobicContact CG-CG 4.11Å; D832-F835 WeakPolarHBondContact O-CB 3.26Å; D832-F835 PolarHBondContact O-N 3.39Å; V833-F835 PolarHBondContact O-N 3.47Å; V833-F835 VanDerWaalsContact O-N 3.11Å; F835-P838 WeakPolarHBondContact O-CD 3.42Å
836L89.4Confident85.4Confident0 Ų056 Ų560%026%0.263CS..G310 helixtrans-85.2-5.8-178.5-65179.3000113.8I822 W823 Y826 V833 R834 P838 V839 Y840 L843 I851I822-L836 HydrophobicContact CG2-CD2 4.15Å; W823-L836 HydrophobicContact CE3-CD1 4.26Å; W823-L836 HydrophobicContact CE3-CD2 4.46Å; W823-L836 HydrophobicContact CZ3-CD1 3.87Å; Y826-L836 HydrophobicContact CD1-CD1 3.64Å; Y826-L836 HydrophobicContact CD1-CG 4.35Å; Y826-L836 HydrophobicContact CD2-CD1 3.75Å; Y826-L836 HydrophobicContact CD2-CD2 4.26Å; Y826-L836 HydrophobicContact CD2-CG 3.72Å; Y826-L836 HydrophobicContact CE1-CD1 3.76Å; Y826-L836 HydrophobicContact CE2-CD1 3.87Å; Y826-L836 HydrophobicContact CE2-CG 4.16Å; Y826-L836 HydrophobicContact CG-CD1 3.64Å; Y826-L836 HydrophobicContact CG-CD2 3.97Å; Y826-L836 HydrophobicContact CG-CG 3.83Å; V833-L836 PolarHBondContact O-N 2.9Å; R834-L836 PolarHBondContact O-N 3.31Å; L836-P838 VanDerWaalsContact C-CD 3.48Å; L836-V839 HydrophobicContact CB-CG2 4.34Å; L836-V839 HydrophobicContact CD2-CG2 3.99Å; L836-V839 CarbonylContact O-C 3.49Å; L836-V839 VanDerWaalsContact O-CG2 3.3Å; L836-V839 WeakPolarHBondContact O-CG2 3.35Å; L836-V839 PolarHBondContact O-N 2.9Å; L836-Y840 PolarHBondContact O-N 2.97Å; L836-L843 HydrophobicContact CD1-CD1 4.38Å; L836-I851 HydrophobicContact CD1-CD1 4.18Å; L836-I851 HydrophobicContact CD1-CG2 3.91Å
837W86.4Confident85.3Confident45 Ų4557 Ų5717%0.1727%0.269CS..G310 helixtrans-54.4-43.7-178.5-91.1-37.2000115R834 V839 L858 M862R834-W837 HydrophobicContact CB-CD2 4.1Å; R834-W837 HydrophobicContact CB-CE3 3.4Å; R834-W837 VanDerWaalsContact CB-CE3 3.4Å; R834-W837 HydrophobicContact CB-CH2 4.16Å; R834-W837 HydrophobicContact CB-CZ3 3.49Å; R834-W837 VanDerWaalsContact CB-CZ3 3.49Å; R834-W837 HydrophobicContact CG-CD2 4.15Å; R834-W837 HydrophobicContact CG-CE3 3.53Å; R834-W837 HydrophobicContact CG-CH2 3.28Å; R834-W837 HydrophobicContact CG-CZ2 3.9Å; R834-W837 HydrophobicContact CG-CZ3 3.1Å; R834-W837 WeakPolarHBondContact O-CB 3.41Å; R834-W837 PolarHBondContact O-N 2.86Å; W837-V839 PolarHBondContact O-N 3.13Å; W837-L858 HydrophobicContact CZ2-CD1 4.2Å; W837-M862 HydrophobicContact CH2-CE 3.33Å; W837-M862 HydrophobicContact CZ2-CE 4.02Å; W837-M862 HydrophobicContact CZ3-CE 3.98Å
838P85.9Confident85.2Confident9 Ų952 Ų526%0.05825%0.245CC..G310 helixtrans-61.6-26177.7-28.940.4000114.3T802 I805 R806 A809 F835 L836T802-P838 HydrophobicContact CG2-CG 4.33Å; I805-P838 HydrophobicContact CB-CB 4.33Å; I805-P838 HydrophobicContact CB-CG 4.41Å; I805-P838 HydrophobicContact CG2-CB 3.58Å; I805-P838 HydrophobicContact CG2-CG 4.13Å; R806-P838 HydrophobicContact CB-CB 4.39Å; R806-P838 HydrophobicContact CB-CG 3.77Å; R806-P838 HydrophobicContact CG-CG 4.47Å; A809-P838 HydrophobicContact CB-CB 4.18Å; F835-P838 WeakPolarHBondContact O-CD 3.42Å; L836-P838 VanDerWaalsContact C-CD 3.48Å
839V88Confident85.1Confident0 Ų048.2 Ų48.20%023%0.225CC..G310 helixtrans-112.32.3-169.8-62.10000114.3I805 L814 I822 L836 W837 Q841 Y842I805-V839 HydrophobicContact CG2-CG1 3.99Å; L814-V839 HydrophobicContact CD1-CG1 3.69Å; I822-V839 HydrophobicContact CD1-CG1 3.66Å; I822-V839 HydrophobicContact CG2-CG1 4.29Å; I822-V839 HydrophobicContact CG2-CG2 3.88Å; L836-V839 HydrophobicContact CB-CG2 4.34Å; L836-V839 HydrophobicContact CD2-CG2 3.99Å; L836-V839 CarbonylContact O-C 3.49Å; L836-V839 VanDerWaalsContact O-CG2 3.3Å; L836-V839 WeakPolarHBondContact O-CG2 3.35Å; L836-V839 PolarHBondContact O-N 2.9Å; W837-V839 PolarHBondContact O-N 3.13Å; V839-Q841 VanDerWaalsContact C-N 3.25Å; V839-Q841 PolarHBondContact O-N 3.2Å; V839-Q841 VanDerWaalsContact O-N 3.12Å; V839-Y842 HydrophobicContact CB-CD2 4.29Å; V839-Y842 WeakPolarHBondContact O-CB 3.45Å; V839-Y842 WeakPolarHBondContact O-CD2 3.5Å; V839-Y842 PolarHBondContact O-N 3.04Å
840Y84.2Confident85.1Confident6 Ų648 Ų482%0.02424%0.236CC..G310 helixtrans-52.1-43-172.7-154.4-79.9000113.6L836 Y842 L843 L848 I851 M870L836-Y840 PolarHBondContact O-N 2.97Å; Y840-Y842 PolarHBondContact O-N 3.15Å; Y840-Y842 VanDerWaalsContact O-N 3.09Å; Y840-L843 HydrophobicContact CD2-CD1 4.42Å; Y840-L843 WeakPolarHBondContact O-CB 3.39Å; Y840-L843 PolarHBondContact O-N 2.95Å; Y840-L843 VanDerWaalsContact O-N 3.11Å; Y840-L848 HydrophobicContact CD1-CD2 3.84Å; Y840-L848 HydrophobicContact CE1-CD1 4.02Å; Y840-L848 HydrophobicContact CE1-CD2 3.18Å; Y840-L848 HydrophobicContact CE1-CG 4.14Å; Y840-L848 HydrophobicContact CE2-CD2 4.08Å; Y840-L848 HydrophobicContact CG-CD2 4.46Å; Y840-L848 WeakPolarHBondContact OH-CD2 3.44Å; Y840-I851 HydrophobicContact CD2-CD1 4.14Å; Y840-I851 HydrophobicContact CE2-CD1 3.38Å; Y840-I851 HydrophobicContact CE2-CG1 4.35Å; Y840-M870 HydrophobicContact CD1-CB 4.2Å; Y840-M870 HydrophobicContact CD1-CG 3.7Å; Y840-M870 HydrophobicContact CD2-CG 4.39Å; Y840-M870 HydrophobicContact CE1-CB 3.71Å; Y840-M870 HydrophobicContact CE1-CE 3.77Å; Y840-M870 HydrophobicContact CE1-CG 3.23Å; Y840-M870 HydrophobicContact CE1-SD 3.79Å; Y840-M870 HydrophobicContact CE2-CG 3.96Å; Y840-M870 HydrophobicContact CE2-SD 3.84Å; Y840-M870 HydrophobicContact CG-CG 4.27Å; Y840-M870 VanDerWaalsContact CZ-CE 3.45Å; Y840-M870 WeakPolarHBondContact OH-CE 3.29Å; Y840-M870 PolarHBondContact OH-SD 2.97Å
841Q83.8Confident85.5Confident42 Ų4240.2 Ų40.220%0.19620%0.202CC..G310 helixtrans-62.6-16.4-179.967.6-172.310.400114.2V839 N875 P876V839-Q841 VanDerWaalsContact C-N 3.25Å; V839-Q841 PolarHBondContact O-N 3.2Å; V839-Q841 VanDerWaalsContact O-N 3.12Å; Q841-N875 WeakPolarHBondContact O-CA 3.5Å; Q841-N875 WeakPolarHBondContact O-CB 3.4Å; Q841-N875 PolarHBondContact O-ND2 3.32Å; Q841-P876 HydrophobicContact CG-CG 4.49Å
842Y84.9Confident85.9Confident29 Ų2939.2 Ų39.211%0.11420%0.195CC..G310 helixtrans-96.8-11.2179.3-57.5-85000113.2I813 L814 V819 V839 Y840 P876I813-Y842 HydrophobicContact CG2-CE1 4.07Å; L814-Y842 HydrophobicContact CB-CE2 4.27Å; L814-Y842 HydrophobicContact CD1-CE2 4.12Å; L814-Y842 HydrophobicContact CG-CE2 4.37Å; L814-Y842 PolarHBondContact N-OH 2.91Å; L814-Y842 VanDerWaalsContact N-OH 3.13Å; V819-Y842 HydrophobicContact CG2-CD1 4.29Å; V819-Y842 HydrophobicContact CG2-CD2 4.22Å; V819-Y842 HydrophobicContact CG2-CG 3.93Å; V839-Y842 HydrophobicContact CB-CD2 4.29Å; V839-Y842 WeakPolarHBondContact O-CB 3.45Å; V839-Y842 WeakPolarHBondContact O-CD2 3.5Å; V839-Y842 PolarHBondContact O-N 3.04Å; Y840-Y842 PolarHBondContact O-N 3.15Å; Y840-Y842 VanDerWaalsContact O-N 3.09Å; Y842-P876 HydrophobicContact CD1-CG 4.27Å; Y842-P876 HydrophobicContact CE1-CG 3.42Å; Y842-P876 VanDerWaalsContact CE1-CG 3.42Å; Y842-P876 WeakPolarHBondContact OH-CG 3.33Å
843L86.4Confident86Confident7 Ų738.1 Ų38.14%0.03719%0.192CC..  trans-75.1147.1-176.2-60.1-179.3000111.4W823 L836 Y840 Q847 L848 I851W823-L843 HydrophobicContact CE3-CD1 4.39Å; W823-L843 HydrophobicContact CE3-CD2 3.6Å; W823-L843 HydrophobicContact CZ3-CD1 4.1Å; W823-L843 HydrophobicContact CZ3-CD2 4.08Å; L836-L843 HydrophobicContact CD1-CD1 4.38Å; Y840-L843 HydrophobicContact CD2-CD1 4.42Å; Y840-L843 WeakPolarHBondContact O-CB 3.39Å; Y840-L843 PolarHBondContact O-N 2.95Å; Y840-L843 VanDerWaalsContact O-N 3.11Å; L843-Q847 HydrophobicContact CB-CB 4.33Å; L843-L848 HydrophobicContact CB-CD2 3.48Å; L843-L848 VanDerWaalsContact CB-CD2 3.48Å; L843-L848 HydrophobicContact CB-CG 4.2Å; L843-L848 HydrophobicContact CD1-CD2 3.85Å; L843-L848 HydrophobicContact CG-CD2 4.27Å; L843-I851 HydrophobicContact CD1-CD1 3.79Å
844S84.8Confident86Confident56 Ų5639.2 Ų39.239%0.39220%0.202SC..  trans-79.3157.817666.90000112Q846 Q847 L848S844-Q846 VanDerWaalsContact C-N 3.28Å; S844-Q846 PolarHBondContact O-N 3.36Å; S844-Q847 WeakPolarHBondContact O-CB 3.35Å; S844-Q847 PolarHBondContact O-N 3.06Å; S844-Q847 VanDerWaalsContact OG-CG 3.3Å; S844-Q847 WeakPolarHBondContact OG-CG 3.47Å; S844-Q847 PolarHBondContact OG-OE1 3.29Å; S844-L848 WeakPolarHBondContact O-CG 3.3Å; S844-L848 PolarHBondContact O-N 3.34Å
845K81.9Confident86.1Confident101 Ų10134.9 Ų34.944%0.43919%0.186SC..Hα-helixtrans-52-42.6179.9-64.4-167.7-178.5-165.50113.4Q847 L848 D849 D887K845-Q847 VanDerWaalsContact C-N 3.34Å; K845-Q847 PolarHBondContact O-N 2.84Å; K845-L848 WeakPolarHBondContact O-CB 3.44Å; K845-L848 PolarHBondContact O-N 3.48Å; K845-D849 PolarHBondContact O-N 3.24Å; K845-D887 IonicContact NZ-OD2 2.77Å; K845-D887 PolarHBondContact NZ-OD2 3.28Å
846Q83.9Confident86Confident163 Ų16334.9 Ų34.976%0.76219%0.187SC*.Hα-helixtrans-63.7-38.7178.3-67.8179.4-13.800112.7S844 D849 S850S844-Q846 VanDerWaalsContact C-N 3.28Å; S844-Q846 PolarHBondContact O-N 3.36Å; Q846-D849 PolarHBondContact O-N 3Å; Q846-S850 PolarHBondContact O-N 3.07Å
847Q87.7Confident85.8Confident47 Ų4742.9 Ų42.922%0.2222%0.217CC..Hα-helixtrans-67.8-41.5175.4-71.2172.6-44.800111W823 L843 S844 K845 D849 S850 I851W823-Q847 HydrophobicContact CD2-CG 4.05Å; W823-Q847 HydrophobicContact CE3-CB 4.2Å; W823-Q847 HydrophobicContact CE3-CG 4.22Å; W823-Q847 HydrophobicContact CH2-CB 3.44Å; W823-Q847 VanDerWaalsContact CH2-CB 3.44Å; W823-Q847 HydrophobicContact CH2-CG 3.72Å; W823-Q847 HydrophobicContact CZ2-CB 3.83Å; W823-Q847 HydrophobicContact CZ2-CG 3.54Å; W823-Q847 HydrophobicContact CZ3-CB 3.66Å; W823-Q847 HydrophobicContact CZ3-CG 4.07Å; L843-Q847 HydrophobicContact CB-CB 4.33Å; S844-Q847 WeakPolarHBondContact O-CB 3.35Å; S844-Q847 PolarHBondContact O-N 3.06Å; S844-Q847 VanDerWaalsContact OG-CG 3.3Å; S844-Q847 WeakPolarHBondContact OG-CG 3.47Å; S844-Q847 PolarHBondContact OG-OE1 3.29Å; K845-Q847 VanDerWaalsContact C-N 3.34Å; K845-Q847 PolarHBondContact O-N 2.84Å; Q847-D849 VanDerWaalsContact C-N 3.31Å; Q847-D849 PolarHBondContact O-N 3.06Å; Q847-S850 PolarHBondContact O-N 2.89Å; Q847-S850 PolarHBondContact O-OG 2.82Å; Q847-I851 PolarHBondContact O-N 3.3Å
848L85.7Confident85.8Confident2 Ų242.3 Ų42.31%0.0122%0.217CC..Hα-helixtrans-58.7-42.4174.5-61.4-172.9000112.2Y840 L843 S844 K845 S850 I851 L852 L883Y840-L848 HydrophobicContact CD1-CD2 3.84Å; Y840-L848 HydrophobicContact CE1-CD1 4.02Å; Y840-L848 HydrophobicContact CE1-CD2 3.18Å; Y840-L848 HydrophobicContact CE1-CG 4.14Å; Y840-L848 HydrophobicContact CE2-CD2 4.08Å; Y840-L848 HydrophobicContact CG-CD2 4.46Å; Y840-L848 WeakPolarHBondContact OH-CD2 3.44Å; L843-L848 HydrophobicContact CB-CD2 3.48Å; L843-L848 VanDerWaalsContact CB-CD2 3.48Å; L843-L848 HydrophobicContact CB-CG 4.2Å; L843-L848 HydrophobicContact CD1-CD2 3.85Å; L843-L848 HydrophobicContact CG-CD2 4.27Å; S844-L848 WeakPolarHBondContact O-CG 3.3Å; S844-L848 PolarHBondContact O-N 3.34Å; K845-L848 WeakPolarHBondContact O-CB 3.44Å; K845-L848 PolarHBondContact O-N 3.48Å; L848-S850 VanDerWaalsContact C-N 3.3Å; L848-S850 PolarHBondContact O-N 2.84Å; L848-I851 HydrophobicContact CD2-CD1 4.15Å; L848-I851 WeakPolarHBondContact O-CG1 3.49Å; L848-I851 PolarHBondContact O-N 3.2Å; L848-L852 WeakPolarHBondContact O-CB 3.33Å; L848-L852 PolarHBondContact O-N 3.04Å; L848-L883 HydrophobicContact CD1-CB 4.04Å; L848-L883 HydrophobicContact CD1-CD2 4.48Å
849D83.7Confident85.8Confident55 Ų5546.5 Ų46.529%0.29424%0.239SC..Hα-helixtrans-62.8-38.7178.8-64.7-13000111.7K845 Q846 Q847 I851 P853 H891K845-D849 PolarHBondContact O-N 3.24Å; Q846-D849 PolarHBondContact O-N 3Å; Q847-D849 VanDerWaalsContact C-N 3.31Å; Q847-D849 PolarHBondContact O-N 3.06Å; D849-I851 VanDerWaalsContact C-N 3.32Å; D849-I851 PolarHBondContact O-N 3.42Å; D849-P853 WeakPolarHBondContact O-CD 3.29Å; D849-H891 IonicContact OD1-CD2 3.72Å; D849-H891 PolarHBondContact OD1-CD2 3.32Å; D849-H891 IonicContact OD1-CE1 2.58Å; D849-H891 IonicContact OD1-CG 2.83Å; D849-H891 IonicContact OD1-ND1 3.75Å; D849-H891 IonicContact OD1-NE2 4Å; D849-H891 PolarHBondContact OD1-NE2 2.93Å; D849-H891 IonicContact OD2-CD2 2.77Å; D849-H891 PolarHBondContact OD2-CD2 3.35Å; D849-H891 VanDerWaalsContact OD2-CD2 3.24Å; D849-H891 IonicContact OD2-NE2 2.97Å; D849-H891 PolarHBondContact OD2-NE2 3.12Å
850S86Confident85.6Confident74 Ų7449.8 Ų49.852%0.51726%0.26SS..Hα-helixtrans-67.9-28.4179.874.60000114W823 Q846 Q847 L848W823-S850 WeakPolarHBondContact CH2-OG 3.3Å; Q846-S850 PolarHBondContact O-N 3.07Å; Q847-S850 PolarHBondContact O-N 2.89Å; Q847-S850 PolarHBondContact O-OG 2.82Å; L848-S850 VanDerWaalsContact C-N 3.3Å; L848-S850 PolarHBondContact O-N 2.84Å
851I87.5Confident85.5Confident1 Ų157.4 Ų57.41%0.00529%0.293CS..Hα-helixtrans-96.6-16.9-178.463.4179.8000113W823 Y826 L836 Y840 L843 Q847 L848 D849 P853 A854 V855W823-I851 HydrophobicContact CH2-CG2 3.88Å; W823-I851 HydrophobicContact CZ3-CG2 4.03Å; Y826-I851 HydrophobicContact CE1-CG2 3.72Å; L836-I851 HydrophobicContact CD1-CD1 4.18Å; L836-I851 HydrophobicContact CD1-CG2 3.91Å; Y840-I851 HydrophobicContact CD2-CD1 4.14Å; Y840-I851 HydrophobicContact CE2-CD1 3.38Å; Y840-I851 HydrophobicContact CE2-CG1 4.35Å; L843-I851 HydrophobicContact CD1-CD1 3.79Å; Q847-I851 PolarHBondContact O-N 3.3Å; L848-I851 HydrophobicContact CD2-CD1 4.15Å; L848-I851 WeakPolarHBondContact O-CG1 3.49Å; L848-I851 PolarHBondContact O-N 3.2Å; D849-I851 VanDerWaalsContact C-N 3.32Å; D849-I851 PolarHBondContact O-N 3.42Å; I851-P853 VanDerWaalsContact C-CD 3.47Å; I851-A854 PolarHBondContact O-N 3.22Å; I851-V855 PolarHBondContact O-N 2.98Å; I851-V855 VanDerWaalsContact O-N 3.1Å
852L88.1Confident85.6Confident5 Ų558.9 Ų58.93%0.02630%0.301CS..Hα-helixtrans-55-42.6-176.2-173.765.2000113.8L848 A854 V855 V856 M870 F888 H891 L892 I895L848-L852 WeakPolarHBondContact O-CB 3.33Å; L848-L852 PolarHBondContact O-N 3.04Å; L852-A854 PolarHBondContact O-N 3.12Å; L852-V855 PolarHBondContact O-N 2.8Å; L852-V855 VanDerWaalsContact O-N 3.15Å; L852-V856 HydrophobicContact CD1-CG2 4.39Å; L852-V856 HydrophobicContact CG-CG2 4.48Å; L852-V856 WeakPolarHBondContact O-CG2 3.42Å; L852-V856 PolarHBondContact O-N 3.32Å; L852-V856 VanDerWaalsContact O-N 3.08Å; L852-M870 HydrophobicContact CD1-CE 4.16Å; L852-F888 HydrophobicContact CD1-CD2 4.31Å; L852-F888 HydrophobicContact CD1-CE2 3.51Å; L852-F888 HydrophobicContact CD1-CZ 4.2Å; L852-H891 HydrophobicContact CD2-CB 3.64Å; L852-L892 HydrophobicContact CD1-CD2 4.25Å; L852-L892 HydrophobicContact CD2-CD2 4.18Å; L852-L892 HydrophobicContact CG-CD2 4.36Å; L852-I895 HydrophobicContact CD2-CD1 3.97Å; L852-I895 HydrophobicContact CD2-CG1 4.28Å; L852-I895 HydrophobicContact CG-CD1 3.93Å
853P86.4Confident85.7Confident49 Ų4957.7 Ų57.732%0.31830%0.296SS..Hα-helixtrans-57.8-35.2176.1-2534.9000113.1D849 I851 I895D849-P853 WeakPolarHBondContact O-CD 3.29Å; I851-P853 VanDerWaalsContact C-CD 3.47Å; P853-I895 HydrophobicContact CB-CG2 4.37Å; P853-I895 HydrophobicContact CG-CG1 4.48Å; P853-I895 HydrophobicContact CG-CG2 4.29Å
854A86.9Confident85.6Confident37 Ų3758.6 Ų58.631%0.30631%0.305SS..Hα-helixtrans-78.9-30.7-179.800000112.2V833 I851 L852 V856 R857V833-A854 HydrophobicContact CG2-CB 3.23Å; I851-A854 PolarHBondContact O-N 3.22Å; L852-A854 PolarHBondContact O-N 3.12Å; A854-V856 VanDerWaalsContact C-N 3.33Å; A854-R857 PolarHBondContact O-N 3.09Å
855V87.1Confident85.6Confident1 Ų161.9 Ų61.91%0.00631%0.314CS..Hα-helixtrans-63.5-40.3171.2176.20000111.3V833 I851 L852 R857 L858 Q866 M870V833-V855 HydrophobicContact CG1-CG2 3.76Å; I851-V855 PolarHBondContact O-N 2.98Å; I851-V855 VanDerWaalsContact O-N 3.1Å; L852-V855 PolarHBondContact O-N 2.8Å; L852-V855 VanDerWaalsContact O-N 3.15Å; V855-R857 PolarHBondContact O-N 3.49Å; V855-L858 HydrophobicContact CG1-CD1 4.34Å; V855-L858 VanDerWaalsContact O-CB 3.3Å; V855-L858 WeakPolarHBondContact O-CB 3Å; V855-L858 VanDerWaalsContact O-CG 3.27Å; V855-L858 WeakPolarHBondContact O-CG 3.19Å; V855-L858 PolarHBondContact O-N 3.32Å; V855-Q866 HydrophobicContact CG1-CG 4.05Å; V855-M870 HydrophobicContact CG1-SD 4.2Å
856V87.4Confident85.7Confident4 Ų457.3 Ų57.32%0.02430%0.295CS..Hα-helixtrans-70.8-16-177.7172.40000112.6L852 A854 M863 L892 I895 A905 V906 A909L852-V856 HydrophobicContact CD1-CG2 4.39Å; L852-V856 HydrophobicContact CG-CG2 4.48Å; L852-V856 WeakPolarHBondContact O-CG2 3.42Å; L852-V856 PolarHBondContact O-N 3.32Å; L852-V856 VanDerWaalsContact O-N 3.08Å; A854-V856 VanDerWaalsContact C-N 3.33Å; V856-M863 WeakPolarHBondContact O-CE 3.46Å; V856-L892 HydrophobicContact CG2-CD2 3.77Å; V856-I895 HydrophobicContact CG2-CD1 4.1Å; V856-A905 HydrophobicContact CG1-CB 3.77Å; V856-A905 VanDerWaalsContact CG1-O 3.23Å; V856-A905 WeakPolarHBondContact CG1-O 3.47Å; V856-V906 HydrophobicContact CG1-CB 4.33Å; V856-V906 HydrophobicContact CG1-CG2 3.91Å; V856-V906 VanDerWaalsContact CG1-N 3.34Å; V856-A909 HydrophobicContact CG1-CB 4.05Å; V856-A909 HydrophobicContact CG2-CB 4.01Å
857R85.6Confident85.7Confident168 Ų16849.6 Ų49.663%0.63426%0.258SS*.THydrogen-bonded Turntrans-89.4-0.1174.3-68.3178.2-178.6176.30113.8A854 V855 D902A854-R857 PolarHBondContact O-N 3.09Å; V855-R857 PolarHBondContact O-N 3.49Å; R857-D902 IonicContact CZ-OD1 3.66Å; R857-D902 IonicContact NE-OD1 3.43Å; R857-D902 PolarHBondContact NE-OD1 2.73Å; R857-D902 IonicContact NH2-OD1 2.66Å; R857-D902 PolarHBondContact NH2-OD1 3.47Å; R857-D902 IonicContact NH2-OD2 2.8Å
858L86Confident85.5Confident32 Ų3248.5 Ų48.517%0.16826%0.255CS..SBendtrans-71162.1176.1-63.8173.5000111.7W837 V855 M863W837-L858 HydrophobicContact CZ2-CD1 4.2Å; V855-L858 HydrophobicContact CG1-CD1 4.34Å; V855-L858 VanDerWaalsContact O-CB 3.3Å; V855-L858 WeakPolarHBondContact O-CB 3Å; V855-L858 VanDerWaalsContact O-CG 3.27Å; V855-L858 WeakPolarHBondContact O-CG 3.19Å; V855-L858 PolarHBondContact O-N 3.32Å; L858-M863 HydrophobicContact CB-CB 4.39Å; L858-M863 WeakPolarHBondContact O-CE 3.41Å
859N86.6Confident85.4Confident97 Ų9753.6 Ų53.652%0.51927%0.274SS..  trans-54.5133.9170.9179.3-23.5000110.4K861 M862 M863N859-K861 VanDerWaalsContact C-N 3.25Å; N859-K861 PolarHBondContact O-N 3.45Å; N859-K861 PolarHBondContact OD1-N 2.9Å; N859-M862 PolarHBondContact O-N 2.9Å; N859-M863 PolarHBondContact O-N 3.46Å
860P82.9Confident85.2Confident69 Ų6951 Ų5145%0.44826%0.26SS..Hα-helixtrans-44.8-40.7-178-32.533.7000115.9M863 A864P860-M863 PolarHBondContact O-N 2.88Å; P860-A864 WeakPolarHBondContact O-CB 3.34Å; P860-A864 PolarHBondContact O-N 3.42Å
861K83Confident85.1Confident167 Ų16748 Ų4873%0.72624%0.238SC*.Hα-helixtrans-62.9-50.4178-68.7-174.5179-179.10111.9N859 M863 A864 E865N859-K861 VanDerWaalsContact C-N 3.25Å; N859-K861 PolarHBondContact O-N 3.45Å; N859-K861 PolarHBondContact OD1-N 2.9Å; K861-M863 VanDerWaalsContact C-N 3.33Å; K861-M863 PolarHBondContact O-N 3.41Å; K861-A864 PolarHBondContact O-N 3.31Å; K861-E865 PolarHBondContact O-N 3.47Å
862M84.3Confident84.8Confident73 Ų7352.9 Ų52.936%0.3626%0.26SS..Hα-helixtrans-68.3-35.2179.5-62.6-54.3-61.900111.9W837 N859 Q866W837-M862 HydrophobicContact CH2-CE 3.33Å; W837-M862 HydrophobicContact CZ2-CE 4.02Å; W837-M862 HydrophobicContact CZ3-CE 3.98Å; N859-M862 PolarHBondContact O-N 2.9Å; M862-Q866 VanDerWaalsContact O-CB 3.29Å; M862-Q866 WeakPolarHBondContact O-CB 3.32Å; M862-Q866 PolarHBondContact O-N 3.42Å
863M86.8Confident84.3Confident3 Ų354.2 Ų54.22%0.01527%0.268CS..Hα-helixtrans-62.6-45.4175-170.1-167.5-49.300110.8V856 L858 N859 P860 K861 Q866 I867 A909 I912V856-M863 WeakPolarHBondContact O-CE 3.46Å; L858-M863 HydrophobicContact CB-CB 4.39Å; L858-M863 WeakPolarHBondContact O-CE 3.41Å; N859-M863 PolarHBondContact O-N 3.46Å; P860-M863 PolarHBondContact O-N 2.88Å; K861-M863 VanDerWaalsContact C-N 3.33Å; K861-M863 PolarHBondContact O-N 3.41Å; M863-Q866 PolarHBondContact O-N 2.97Å; M863-I867 HydrophobicContact CG-CD1 3.75Å; M863-I867 HydrophobicContact CG-CG1 4.25Å; M863-I867 WeakPolarHBondContact O-CB 3.45Å; M863-I867 VanDerWaalsContact O-CG1 3.25Å; M863-I867 WeakPolarHBondContact O-CG1 3.34Å; M863-I867 PolarHBondContact O-N 2.65Å; M863-I867 HydrophobicContact SD-CD1 4.15Å; M863-A909 HydrophobicContact SD-CB 3.68Å; M863-I912 HydrophobicContact CB-CD1 4.06Å; M863-I912 HydrophobicContact CG-CD1 4.07Å; M863-I912 HydrophobicContact SD-CD1 3.75Å
864A86.1Confident83.9Confident26 Ų2658.5 Ų58.522%0.21528%0.282CS..Hα-helixtrans-60.1-52179.700000112.3P860 K861 Q866 I867 V868 I912P860-A864 WeakPolarHBondContact O-CB 3.34Å; P860-A864 PolarHBondContact O-N 3.42Å; K861-A864 PolarHBondContact O-N 3.31Å; A864-Q866 PolarHBondContact O-N 3.44Å; A864-I867 PolarHBondContact O-N 2.75Å; A864-V868 WeakPolarHBondContact O-CG2 3.22Å; A864-V868 PolarHBondContact O-N 2.68Å; A864-V868 VanDerWaalsContact O-N 3.12Å; A864-I912 HydrophobicContact CB-CD1 4.01Å; A864-I912 HydrophobicContact CB-CG1 4.18Å; A864-I912 HydrophobicContact CB-CG2 3.76Å
865E83.7Confident83.3Confident125 Ų12557.7 Ų57.758%0.58427%0.272SS*.Hα-helixtrans-56.1-41.9175.2-70-175.4178.200111.7K861 R869K861-E865 PolarHBondContact O-N 3.47Å; E865-R869 WeakPolarHBondContact O-CB 3.22Å; E865-R869 PolarHBondContact O-N 3.35Å
866Q83.5Confident82.5Confident6 Ų660.1 Ų60.13%0.02829%0.288CS..Hα-helixtrans-69.1-46.7-178.3-178.8549.800112.1V855 M862 M863 A864 V868 R869 M870V855-Q866 HydrophobicContact CG1-CG 4.05Å; M862-Q866 VanDerWaalsContact O-CB 3.29Å; M862-Q866 WeakPolarHBondContact O-CB 3.32Å; M862-Q866 PolarHBondContact O-N 3.42Å; M863-Q866 PolarHBondContact O-N 2.97Å; A864-Q866 PolarHBondContact O-N 3.44Å; Q866-V868 VanDerWaalsContact C-N 3.29Å; Q866-V868 PolarHBondContact O-N 3.18Å; Q866-R869 CarbonylContact O-C 3.42Å; Q866-R869 WeakPolarHBondContact O-CA 3.09Å; Q866-R869 WeakPolarHBondContact O-CB 3.46Å; Q866-R869 PolarHBondContact O-N 3.23Å; Q866-M870 HydrophobicContact CG-CG 4.06Å; Q866-M870 HydrophobicContact CG-SD 3.97Å; Q866-M870 VanDerWaalsContact NE2-CG 3.33Å; Q866-M870 WeakPolarHBondContact O-CG 3.42Å; Q866-M870 PolarHBondContact O-N 3.42Å
867I85.2Confident81.4Confident0 Ų063.9 Ų63.90%031%0.314CS..Hα-helixtrans-55.7-47.7178.5-71.3175.3000110.4M863 A864 R869 M870 V871 F888 A909 I912 V913 F920M863-I867 HydrophobicContact CG-CD1 3.75Å; M863-I867 HydrophobicContact CG-CG1 4.25Å; M863-I867 WeakPolarHBondContact O-CB 3.45Å; M863-I867 VanDerWaalsContact O-CG1 3.25Å; M863-I867 WeakPolarHBondContact O-CG1 3.34Å; M863-I867 PolarHBondContact O-N 2.65Å; M863-I867 HydrophobicContact SD-CD1 4.15Å; A864-I867 PolarHBondContact O-N 2.75Å; I867-R869 VanDerWaalsContact C-N 3.3Å; I867-R869 PolarHBondContact O-N 3.22Å; I867-M870 PolarHBondContact O-N 2.91Å; I867-V871 WeakPolarHBondContact O-CG2 3.3Å; I867-V871 PolarHBondContact O-N 3.21Å; I867-F888 HydrophobicContact CB-CE1 4.44Å; I867-F888 HydrophobicContact CB-CZ 4.19Å; I867-F888 HydrophobicContact CD1-CE1 4.16Å; I867-F888 HydrophobicContact CD1-CZ 3.81Å; I867-F888 HydrophobicContact CG1-CE1 4.17Å; I867-F888 HydrophobicContact CG1-CE2 4.35Å; I867-F888 HydrophobicContact CG1-CZ 3.57Å; I867-F888 HydrophobicContact CG2-CD1 4.2Å; I867-F888 HydrophobicContact CG2-CE1 3.5Å; I867-F888 HydrophobicContact CG2-CZ 3.71Å; I867-A909 HydrophobicContact CD1-CB 4.17Å; I867-I912 HydrophobicContact CD1-CB 4.49Å; I867-I912 HydrophobicContact CD1-CG2 4.08Å; I867-V913 HydrophobicContact CG2-CG2 4.44Å; I867-F920 HydrophobicContact CG2-CE2 4.14Å; I867-F920 HydrophobicContact CG2-CZ 4.13Å
868V83.5Confident80.8Confident25 Ų2559.9 Ų59.915%0.15231%0.309CS..Hα-helixtrans-59-44.5177.4173.90000110.6A864 Q866 V871 K872 E916A864-V868 WeakPolarHBondContact O-CG2 3.22Å; A864-V868 PolarHBondContact O-N 2.68Å; A864-V868 VanDerWaalsContact O-N 3.12Å; Q866-V868 VanDerWaalsContact C-N 3.29Å; Q866-V868 PolarHBondContact O-N 3.18Å; V868-V871 PolarHBondContact O-N 2.96Å; V868-K872 HydrophobicContact CG1-CD 3.62Å; V868-K872 HydrophobicContact CG1-CG 4.25Å; V868-K872 VanDerWaalsContact O-CB 3.28Å; V868-K872 WeakPolarHBondContact O-CB 3.34Å; V868-K872 WeakPolarHBondContact O-CG 3.48Å; V868-K872 PolarHBondContact O-N 3.43Å; V868-E916 VanDerWaalsContact CG2-CD 3.44Å; V868-E916 HydrophobicContact CG2-CG 3.6Å
869R82.4Confident80Confident108 Ų10860.6 Ų60.641%0.40832%0.324SS..Hα-helixtrans-63.9-43.9178.3-169.2175.6-177.1175.1-0.4112.2E865 Q866 I867 V871 T873E865-R869 WeakPolarHBondContact O-CB 3.22Å; E865-R869 PolarHBondContact O-N 3.35Å; Q866-R869 CarbonylContact O-C 3.42Å; Q866-R869 WeakPolarHBondContact O-CA 3.09Å; Q866-R869 WeakPolarHBondContact O-CB 3.46Å; Q866-R869 PolarHBondContact O-N 3.23Å; I867-R869 VanDerWaalsContact C-N 3.3Å; I867-R869 PolarHBondContact O-N 3.22Å; R869-V871 PolarHBondContact O-N 2.88Å; R869-T873 HydrophobicContact CG-CG2 3.72Å; R869-T873 VanDerWaalsContact O-CB 3.27Å; R869-T873 WeakPolarHBondContact O-CB 3.32Å; R869-T873 VanDerWaalsContact O-CG2 3.23Å; R869-T873 WeakPolarHBondContact O-CG2 3.23Å; R869-T873 PolarHBondContact O-N 2.8Å; R869-T873 PolarHBondContact O-OG1 2.86Å
870M80.1Confident79.2Confident1 Ų162.4 Ų62.41%0.00533%0.329CS..Hα-helixtrans-60.2-34.7-179-67.7178.733.800113.1Y840 L852 V855 Q866 I867 S882 L883 F888Y840-M870 HydrophobicContact CD1-CB 4.2Å; Y840-M870 HydrophobicContact CD1-CG 3.7Å; Y840-M870 HydrophobicContact CD2-CG 4.39Å; Y840-M870 HydrophobicContact CE1-CB 3.71Å; Y840-M870 HydrophobicContact CE1-CE 3.77Å; Y840-M870 HydrophobicContact CE1-CG 3.23Å; Y840-M870 HydrophobicContact CE1-SD 3.79Å; Y840-M870 HydrophobicContact CE2-CG 3.96Å; Y840-M870 HydrophobicContact CE2-SD 3.84Å; Y840-M870 HydrophobicContact CG-CG 4.27Å; Y840-M870 VanDerWaalsContact CZ-CE 3.45Å; Y840-M870 WeakPolarHBondContact OH-CE 3.29Å; Y840-M870 PolarHBondContact OH-SD 2.97Å; L852-M870 HydrophobicContact CD1-CE 4.16Å; V855-M870 HydrophobicContact CG1-SD 4.2Å; Q866-M870 HydrophobicContact CG-CG 4.06Å; Q866-M870 HydrophobicContact CG-SD 3.97Å; Q866-M870 VanDerWaalsContact NE2-CG 3.33Å; Q866-M870 WeakPolarHBondContact O-CG 3.42Å; Q866-M870 PolarHBondContact O-N 3.42Å; I867-M870 PolarHBondContact O-N 2.91Å; M870-S882 PolarHBondContact O-OG 3.42Å; M870-L883 HydrophobicContact CE-CD2 4.03Å; M870-F888 HydrophobicContact CE-CD2 3.76Å; M870-F888 HydrophobicContact CE-CE2 3.5Å; M870-F888 HydrophobicContact SD-CE2 4.45Å
871V84.1Confident78.6Confident10 Ų1061.9 Ų61.96%0.06133%0.326CS..Hα-helixtrans-91.5-37.1-175.8176.90000112.1I867 V868 R869 P885 F888 T919 F920I867-V871 WeakPolarHBondContact O-CG2 3.3Å; I867-V871 PolarHBondContact O-N 3.21Å; V868-V871 PolarHBondContact O-N 2.96Å; R869-V871 PolarHBondContact O-N 2.88Å; V871-P885 HydrophobicContact CG1-CB 3.56Å; V871-P885 HydrophobicContact CG1-CG 3.48Å; V871-P885 VanDerWaalsContact CG1-CG 3.48Å; V871-F888 HydrophobicContact CG2-CB 3.93Å; V871-F888 HydrophobicContact CG2-CD1 4.47Å; V871-F888 HydrophobicContact CG2-CD2 4.42Å; V871-F888 HydrophobicContact CG2-CG 4.02Å; V871-T919 HydrophobicContact CB-CG2 4.25Å; V871-T919 HydrophobicContact CG1-CG2 3.6Å; V871-F920 HydrophobicContact CG2-CZ 4.04Å
872K80.9Confident78.1Confident105 Ų10554.5 Ų54.546%0.45730%0.295SS..Hα-helixtrans-82.1-26-178.7-68.5-174-177.6166.40113.4V868 E916 T918 T919V868-K872 HydrophobicContact CG1-CD 3.62Å; V868-K872 HydrophobicContact CG1-CG 4.25Å; V868-K872 VanDerWaalsContact O-CB 3.28Å; V868-K872 WeakPolarHBondContact O-CB 3.34Å; V868-K872 WeakPolarHBondContact O-CG 3.48Å; V868-K872 PolarHBondContact O-N 3.43Å; K872-E916 IonicContact NZ-OE2 2.81Å; K872-T918 PolarHBondContact NZ-OG1 2.78Å; K872-T919 WeakPolarHBondContact CE-OG1 3.43Å; K872-T919 HydrophobicContact CG-CG2 4.15Å; K872-T919 PolarHBondContact NZ-OG1 3.3Å
873T78.8Confident78Confident33 Ų3351.2 Ų51.220%0.20228%0.279CS..PPolyproline II helixtrans-75.7134.9-177.653.70000112.1R869R869-T873 HydrophobicContact CG-CG2 3.72Å; R869-T873 VanDerWaalsContact O-CB 3.27Å; R869-T873 WeakPolarHBondContact O-CB 3.32Å; R869-T873 VanDerWaalsContact O-CG2 3.23Å; R869-T873 WeakPolarHBondContact O-CG2 3.23Å; R869-T873 PolarHBondContact O-N 2.8Å; R869-T873 PolarHBondContact O-OG1 2.86Å
874K77.9Confident77.9Confident138 Ų13853.3 Ų53.360%0.629%0.292SS*.BIsolated β-bridgetrans-98.3140.7173.8-66.5176.9178.8-177.70108.6P876K874-P876 WeakPolarHBondContact O-CD 3.21Å
875N73.7Confident78Confident20 Ų2053.5 Ų53.511%0.10729%0.291CS..PPolyproline II helixtrans-63.5121173.2-175.8-31.4000108.3Q841 S877 T878 G879 Q880Q841-N875 WeakPolarHBondContact O-CA 3.5Å; Q841-N875 WeakPolarHBondContact O-CB 3.4Å; Q841-N875 PolarHBondContact O-ND2 3.32Å; N875-S877 PolarHBondContact O-N 2.96Å; N875-S877 PolarHBondContact OD1-N 3.17Å; N875-S877 PolarHBondContact OD1-OG 3.25Å; N875-T878 WeakPolarHBondContact CB-OG1 3.46Å; N875-T878 PolarHBondContact O-N 3.39Å; N875-G879 VanDerWaalsContact O-CA 3.3Å; N875-G879 WeakPolarHBondContact O-CA 3.2Å; N875-G879 PolarHBondContact O-N 3.1Å; N875-Q880 PolarHBondContact N-O 3.46Å
876P70Confident78.2Confident53 Ų5349.6 Ų49.634%0.34427%0.274SS..THydrogen-bonded Turntrans-65.5-20.6-175.826.3-35.4000113.1I813 Q841 Y842 K874I813-P876 HydrophobicContact CD1-CB 4.38Å; I813-P876 HydrophobicContact CG1-CB 4.23Å; I813-P876 HydrophobicContact CG2-CG 4.37Å; Q841-P876 HydrophobicContact CG-CG 4.49Å; Y842-P876 HydrophobicContact CD1-CG 4.27Å; Y842-P876 HydrophobicContact CE1-CG 3.42Å; Y842-P876 VanDerWaalsContact CE1-CG 3.42Å; Y842-P876 WeakPolarHBondContact OH-CG 3.33Å; K874-P876 WeakPolarHBondContact O-CD 3.21Å
877S64.9Low78.4Confident82 Ų8251 Ų5157%0.57328%0.282SS*.THydrogen-bonded Turntrans-84.9-34.817958.90000113.4N875N875-S877 PolarHBondContact O-N 2.96Å; N875-S877 PolarHBondContact OD1-N 3.17Å; N875-S877 PolarHBondContact OD1-OG 3.25Å
878T72.8Confident78.6Confident85 Ų8551 Ų5152%0.52128%0.282SS..THydrogen-bonded Turntrans-105.1-16.3-178.265.70000113.7N875 Q880N875-T878 WeakPolarHBondContact CB-OG1 3.46Å; N875-T878 PolarHBondContact O-N 3.39Å; T878-Q880 PolarHBondContact O-N 3.33Å; T878-Q880 VanDerWaalsContact O-N 3.12Å; T878-Q880 PolarHBondContact OG1-N 3.09Å
879G68Low78.9Confident46 Ų4649.9 Ų49.947%0.47428%0.275SS..  trans68.9-3.9-172.400000114.5N875N875-G879 VanDerWaalsContact O-CA 3.3Å; N875-G879 WeakPolarHBondContact O-CA 3.2Å; N875-G879 PolarHBondContact O-N 3.1Å
880Q71.3Confident79.3Confident136 Ų13645.4 Ų45.464%0.63626%0.259SS*.SBendtrans-86146.1-180-66.9-173.8-23.800110.7N875 T878 S882N875-Q880 PolarHBondContact N-O 3.46Å; T878-Q880 PolarHBondContact O-N 3.33Å; T878-Q880 VanDerWaalsContact O-N 3.12Å; T878-Q880 PolarHBondContact OG1-N 3.09Å; Q880-S882 PolarHBondContact O-N 2.9Å
881P70.6Confident79.7Confident58 Ų5846.2 Ų46.238%0.37726%0.263SS..BIsolated β-bridgetrans-60.7131.717026.5-32.5000109.3L883 T884P881-L883 PolarHBondContact O-N 3.5Å; P881-T884 HydrophobicContact CG-CG2 4.22Å
882S71.5Confident79.9Confident12 Ų1245.8 Ų45.88%0.08426%0.26CS..SBendtrans-61.3-34.9177.5470000111.3M870 Q880M870-S882 PolarHBondContact O-OG 3.42Å; Q880-S882 PolarHBondContact O-N 2.9Å
883L82.1Confident80.3Confident3 Ų341.7 Ų41.72%0.01624%0.242CC..SBendtrans-145.9127.4177.5-164.764.5000109.8L848 M870 P881 D887 F888L848-L883 HydrophobicContact CD1-CB 4.04Å; L848-L883 HydrophobicContact CD1-CD2 4.48Å; M870-L883 HydrophobicContact CE-CD2 4.03Å; P881-L883 PolarHBondContact O-N 3.5Å; L883-D887 HydrophobicContact CD1-CB 3.55Å; L883-D887 HydrophobicContact CG-CB 4.15Å; L883-F888 HydrophobicContact CD2-CB 3.82Å; L883-F888 HydrophobicContact CD2-CD2 3.58Å; L883-F888 HydrophobicContact CD2-CG 4.19Å; L883-F888 HydrophobicContact CG-CB 4.17Å
884T85.8Confident80.6Confident47 Ų4745.8 Ų45.829%0.28826%0.257SS..  trans-77.2155.2174.565.40000110.1P881 L886 D887 F888P881-T884 HydrophobicContact CG-CG2 4.22Å; T884-L886 PolarHBondContact O-N 2.89Å; T884-D887 PolarHBondContact O-N 2.75Å; T884-D887 VanDerWaalsContact O-N 3.11Å; T884-D887 WeakPolarHBondContact OG1-CB 3.39Å; T884-D887 PolarHBondContact OG1-N 3.26Å; T884-D887 VanDerWaalsContact OG1-N 3.1Å; T884-D887 PolarHBondContact OG1-OD2 3.27Å; T884-F888 PolarHBondContact O-N 3.42Å
885P86.4Confident81Confident30 Ų3040.4 Ų40.420%0.19524%0.235CC..Hα-helixtrans-61.9-32.8178.10.13.3000111.8V871 F888 V889 T919 F920 V924V871-P885 HydrophobicContact CG1-CB 3.56Å; V871-P885 HydrophobicContact CG1-CG 3.48Å; V871-P885 VanDerWaalsContact CG1-CG 3.48Å; P885-F888 PolarHBondContact O-N 3.4Å; P885-V889 WeakPolarHBondContact O-CG2 3.27Å; P885-V889 PolarHBondContact O-N 3.42Å; P885-T919 HydrophobicContact CG-CG2 4.43Å; P885-F920 HydrophobicContact CB-CD1 3.56Å; P885-F920 HydrophobicContact CB-CE1 3.5Å; P885-F920 HydrophobicContact CB-CG 4.44Å; P885-F920 HydrophobicContact CB-CZ 4.33Å; P885-F920 WeakPolarHBondContact O-CE1 3.47Å; P885-V924 HydrophobicContact CB-CG1 4Å
886L88.3Confident81.2Confident44 Ų4446.7 Ų46.723%0.2326%0.264CS..Hα-helixtrans-60.5-52171.317860.9000111.6T884 F888 V889 M890 V924 S928 L931T884-L886 PolarHBondContact O-N 2.89Å; L886-F888 VanDerWaalsContact C-N 3.28Å; L886-F888 PolarHBondContact O-N 2.87Å; L886-V889 PolarHBondContact O-N 3.23Å; L886-M890 WeakPolarHBondContact O-CG 3.33Å; L886-M890 PolarHBondContact O-N 3.49Å; L886-M890 VanDerWaalsContact O-N 3.09Å; L886-V924 HydrophobicContact CB-CG1 4.05Å; L886-S928 VanDerWaalsContact CD1-N 3.28Å; L886-L931 HydrophobicContact CD1-CD1 4.17Å; L886-L931 HydrophobicContact CD2-CD1 4.01Å; L886-L931 HydrophobicContact CG-CD1 4.31Å
887D88.1Confident81.6Confident36 Ų3646.4 Ų46.419%0.19326%0.259CS..Hα-helixtrans-58.5-43.1178.3-70.1-32.1000110.4K845 L883 T884 V889 M890 H891K845-D887 IonicContact NZ-OD2 2.77Å; K845-D887 PolarHBondContact NZ-OD2 3.28Å; L883-D887 HydrophobicContact CD1-CB 3.55Å; L883-D887 HydrophobicContact CG-CB 4.15Å; T884-D887 PolarHBondContact O-N 2.75Å; T884-D887 VanDerWaalsContact O-N 3.11Å; T884-D887 WeakPolarHBondContact OG1-CB 3.39Å; T884-D887 PolarHBondContact OG1-N 3.26Å; T884-D887 VanDerWaalsContact OG1-N 3.1Å; T884-D887 PolarHBondContact OG1-OD2 3.27Å; D887-V889 PolarHBondContact O-N 3.16Å; D887-M890 WeakPolarHBondContact O-CB 3.25Å; D887-M890 PolarHBondContact O-N 3.32Å; D887-M890 VanDerWaalsContact O-N 3.12Å; D887-H891 PolarHBondContact O-N 3.11Å; D887-H891 PolarHBondContact O-ND1 2.62Å
888F89.6Confident82.3Confident0 Ų048.4 Ų48.40%026%0.263CS..Hα-helixtrans-58.4-47.4-179.8-177.6-101.9000112.3L852 I867 M870 V871 L883 T884 P885 L886 M890 H891 L892 V913 F920L852-F888 HydrophobicContact CD1-CD2 4.31Å; L852-F888 HydrophobicContact CD1-CE2 3.51Å; L852-F888 HydrophobicContact CD1-CZ 4.2Å; I867-F888 HydrophobicContact CB-CE1 4.44Å; I867-F888 HydrophobicContact CB-CZ 4.19Å; I867-F888 HydrophobicContact CD1-CE1 4.16Å; I867-F888 HydrophobicContact CD1-CZ 3.81Å; I867-F888 HydrophobicContact CG1-CE1 4.17Å; I867-F888 HydrophobicContact CG1-CE2 4.35Å; I867-F888 HydrophobicContact CG1-CZ 3.57Å; I867-F888 HydrophobicContact CG2-CD1 4.2Å; I867-F888 HydrophobicContact CG2-CE1 3.5Å; I867-F888 HydrophobicContact CG2-CZ 3.71Å; M870-F888 HydrophobicContact CE-CD2 3.76Å; M870-F888 HydrophobicContact CE-CE2 3.5Å; M870-F888 HydrophobicContact SD-CE2 4.45Å; V871-F888 HydrophobicContact CG2-CB 3.93Å; V871-F888 HydrophobicContact CG2-CD1 4.47Å; V871-F888 HydrophobicContact CG2-CD2 4.42Å; V871-F888 HydrophobicContact CG2-CG 4.02Å; L883-F888 HydrophobicContact CD2-CB 3.82Å; L883-F888 HydrophobicContact CD2-CD2 3.58Å; L883-F888 HydrophobicContact CD2-CG 4.19Å; L883-F888 HydrophobicContact CG-CB 4.17Å; T884-F888 PolarHBondContact O-N 3.42Å; P885-F888 PolarHBondContact O-N 3.4Å; L886-F888 VanDerWaalsContact C-N 3.28Å; L886-F888 PolarHBondContact O-N 2.87Å; F888-M890 VanDerWaalsContact C-N 3.29Å; F888-M890 PolarHBondContact O-N 3.06Å; F888-H891 PolarHBondContact O-N 2.81Å; F888-H891 VanDerWaalsContact O-N 3.14Å; F888-L892 HydrophobicContact CD1-CD1 4.04Å; F888-L892 HydrophobicContact CD1-CG 4.33Å; F888-L892 HydrophobicContact CE1-CD1 3.48Å; F888-L892 VanDerWaalsContact CE1-CD1 3.48Å; F888-L892 HydrophobicContact CE1-CD2 4.29Å; F888-L892 HydrophobicContact CE1-CG 3.89Å; F888-L892 HydrophobicContact CZ-CD1 4Å; F888-L892 HydrophobicContact CZ-CD2 3.94Å; F888-L892 HydrophobicContact CZ-CG 4Å; F888-L892 PolarHBondContact O-N 3.03Å; F888-V913 HydrophobicContact CD1-CG2 4Å; F888-V913 HydrophobicContact CE1-CG2 3.59Å; F888-F920 HydrophobicContact CB-CE1 4.48Å; F888-F920 AromaticContact CD1-CE1 3.94Å; F888-F920 HydrophobicContact CD1-CE1 3.94Å; F888-F920 AromaticContact CD1-CZ 3.69Å; F888-F920 HydrophobicContact CD1-CZ 3.69Å; F888-F920 HydrophobicContact CE1-CZ 4.28Å; F888-F920 HydrophobicContact CG-CZ 4.49Å
889V90Very high82.6Confident1 Ų149.1 Ų49.11%0.00626%0.264CS..Hα-helixtrans-60.4-40.9175.7177.70000111.1P885 L886 D887 H891 L892 H893 V913 F920 L925 L932P885-V889 WeakPolarHBondContact O-CG2 3.27Å; P885-V889 PolarHBondContact O-N 3.42Å; L886-V889 PolarHBondContact O-N 3.23Å; D887-V889 PolarHBondContact O-N 3.16Å; V889-H891 VanDerWaalsContact C-N 3.35Å; V889-H891 PolarHBondContact O-N 3.09Å; V889-L892 PolarHBondContact O-N 2.97Å; V889-H893 PolarHBondContact O-N 3.23Å; V889-H893 PolarHBondContact O-ND1 3.32Å; V889-V913 HydrophobicContact CG2-CG1 4Å; V889-F920 HydrophobicContact CG2-CD1 4Å; V889-F920 HydrophobicContact CG2-CE1 3.99Å; V889-L925 HydrophobicContact CG2-CD2 4.42Å; V889-L932 HydrophobicContact CG1-CD1 4.38Å
890M90.4Very high83Confident14 Ų1451 Ų517%0.06928%0.275CS..Hα-helixtrans-63.2-39.5176.2-67.8-59.2-5700112.3L886 D887 F888 H893 K894 L931 L932 Q935L886-M890 WeakPolarHBondContact O-CG 3.33Å; L886-M890 PolarHBondContact O-N 3.49Å; L886-M890 VanDerWaalsContact O-N 3.09Å; D887-M890 WeakPolarHBondContact O-CB 3.25Å; D887-M890 PolarHBondContact O-N 3.32Å; D887-M890 VanDerWaalsContact O-N 3.12Å; F888-M890 VanDerWaalsContact C-N 3.29Å; F888-M890 PolarHBondContact O-N 3.06Å; M890-H893 PolarHBondContact O-N 3.44Å; M890-K894 WeakPolarHBondContact O-CG 3.5Å; M890-K894 PolarHBondContact O-N 3.2Å; M890-L931 HydrophobicContact CE-CB 3.94Å; M890-L931 HydrophobicContact SD-CB 3.65Å; M890-L931 HydrophobicContact SD-CD1 4.44Å; M890-L932 HydrophobicContact CE-CD2 3.8Å; M890-L932 HydrophobicContact CE-CG 4.27Å; M890-L932 HydrophobicContact SD-CD2 3.63Å; M890-L932 HydrophobicContact SD-CG 3.66Å; M890-Q935 HydrophobicContact CE-CG 3.93Å
891H88.4Confident83.4Confident18 Ų1851.8 Ų51.88%0.08328%0.279CS..Hα-helixtrans-73-35.8179.7-67.4100.5000112.6D849 L852 D887 F888 V889 H893 K894 I895D849-H891 IonicContact OD1-CD2 3.72Å; D849-H891 PolarHBondContact OD1-CD2 3.32Å; D849-H891 IonicContact OD1-CE1 2.58Å; D849-H891 IonicContact OD1-CG 2.83Å; D849-H891 IonicContact OD1-ND1 3.75Å; D849-H891 IonicContact OD1-NE2 4Å; D849-H891 PolarHBondContact OD1-NE2 2.93Å; D849-H891 IonicContact OD2-CD2 2.77Å; D849-H891 PolarHBondContact OD2-CD2 3.35Å; D849-H891 VanDerWaalsContact OD2-CD2 3.24Å; D849-H891 IonicContact OD2-NE2 2.97Å; D849-H891 PolarHBondContact OD2-NE2 3.12Å; L852-H891 HydrophobicContact CD2-CB 3.64Å; D887-H891 PolarHBondContact O-N 3.11Å; D887-H891 PolarHBondContact O-ND1 2.62Å; F888-H891 PolarHBondContact O-N 2.81Å; F888-H891 VanDerWaalsContact O-N 3.14Å; V889-H891 VanDerWaalsContact C-N 3.35Å; V889-H891 PolarHBondContact O-N 3.09Å; H891-H893 PolarHBondContact O-N 3.5Å; H891-K894 PolarHBondContact NE2-NZ 2.92Å; H891-K894 PolarHBondContact O-N 3.08Å; H891-I895 PolarHBondContact O-N 3.34Å
892L88.9Confident83.9Confident1 Ų149.8 Ų49.81%0.00527%0.265CS..Hα-helixtrans-55.8-38.3172.1-74.6-180000112.2L852 V856 F888 V889 K894 I895 A909 L910 V913L852-L892 HydrophobicContact CD1-CD2 4.25Å; L852-L892 HydrophobicContact CD2-CD2 4.18Å; L852-L892 HydrophobicContact CG-CD2 4.36Å; V856-L892 HydrophobicContact CG2-CD2 3.77Å; F888-L892 HydrophobicContact CD1-CD1 4.04Å; F888-L892 HydrophobicContact CD1-CG 4.33Å; F888-L892 HydrophobicContact CE1-CD1 3.48Å; F888-L892 VanDerWaalsContact CE1-CD1 3.48Å; F888-L892 HydrophobicContact CE1-CD2 4.29Å; F888-L892 HydrophobicContact CE1-CG 3.89Å; F888-L892 HydrophobicContact CZ-CD1 4Å; F888-L892 HydrophobicContact CZ-CD2 3.94Å; F888-L892 HydrophobicContact CZ-CG 4Å; F888-L892 PolarHBondContact O-N 3.03Å; V889-L892 PolarHBondContact O-N 2.97Å; L892-K894 VanDerWaalsContact C-N 3.29Å; L892-K894 PolarHBondContact O-N 3.45Å; L892-I895 HydrophobicContact CD2-CD1 4.05Å; L892-I895 PolarHBondContact O-N 3.04Å; L892-A909 HydrophobicContact CD1-CB 4.41Å; L892-A909 HydrophobicContact CD2-CB 4.08Å; L892-L910 HydrophobicContact CD1-CD2 3.9Å; L892-L910 HydrophobicContact CD1-CG 4.38Å; L892-V913 HydrophobicContact CD1-CG2 4.02Å
893H88.7Confident84.3Confident19 Ų1950.9 Ų50.99%0.08827%0.274CS..THydrogen-bonded Turntrans-79.1-9.3179.5-72.780.8000114.4V889 M890 H891 L932 P939 T945V889-H893 PolarHBondContact O-N 3.23Å; V889-H893 PolarHBondContact O-ND1 3.32Å; M890-H893 PolarHBondContact O-N 3.44Å; H891-H893 PolarHBondContact O-N 3.5Å; H893-L932 HydrophobicContact CB-CD2 3.47Å; H893-L932 VanDerWaalsContact CB-CD2 3.47Å; H893-L932 VanDerWaalsContact CG-CD2 3.48Å; H893-P939 HydrophobicContact CB-CB 4.05Å; H893-P939 HydrophobicContact CB-CG 4.31Å; H893-T945 PolarHBondContact CE1-OG1 3.3Å; H893-T945 PolarHBondContact NE2-OG1 3.16Å
894K86.4Confident84.3Confident119 Ų11953.2 Ų53.252%0.51729%0.294SS..THydrogen-bonded Turntrans-91.1-10.3174-69.6175-172.8171.90112.8M890 H891 L892 E896M890-K894 WeakPolarHBondContact O-CG 3.5Å; M890-K894 PolarHBondContact O-N 3.2Å; H891-K894 PolarHBondContact NE2-NZ 2.92Å; H891-K894 PolarHBondContact O-N 3.08Å; L892-K894 VanDerWaalsContact C-N 3.29Å; L892-K894 PolarHBondContact O-N 3.45Å; K894-E896 PolarHBondContact O-N 3.47Å
895I84.6Confident84.3Confident24 Ų2451.8 Ų51.812%0.12329%0.287CS..SBendtrans-63.7125.9177.2-59.9171.9000108.3L852 P853 V856 H891 L892 I897 V906L852-I895 HydrophobicContact CD2-CD1 3.97Å; L852-I895 HydrophobicContact CD2-CG1 4.28Å; L852-I895 HydrophobicContact CG-CD1 3.93Å; P853-I895 HydrophobicContact CB-CG2 4.37Å; P853-I895 HydrophobicContact CG-CG1 4.48Å; P853-I895 HydrophobicContact CG-CG2 4.29Å; V856-I895 HydrophobicContact CG2-CD1 4.1Å; H891-I895 PolarHBondContact O-N 3.34Å; L892-I895 HydrophobicContact CD2-CD1 4.05Å; L892-I895 PolarHBondContact O-N 3.04Å; I895-I897 PolarHBondContact O-N 3.39Å; I895-V906 HydrophobicContact CB-CG2 4.32Å; I895-V906 HydrophobicContact CD1-CG2 4.03Å; I895-V906 HydrophobicContact CG2-CG2 4.1Å
896E78.1Confident84.3Confident153 Ų15350.4 Ų50.472%0.71528%0.278SS*.  trans-69.2122.6174.9-65.3-176.816900109.4K894K894-E896 PolarHBondContact O-N 3.47Å
897I79.1Confident84.1Confident46 Ų4648.3 Ų48.324%0.23627%0.267CS..  trans-99.3103.1-179.3-59.2169.4000107I895 D902 A903 L941I895-I897 PolarHBondContact O-N 3.39Å; I897-D902 HydrophobicContact CG2-CB 4.21Å; I897-A903 HydrophobicContact CG2-CB 3.71Å; I897-L941 HydrophobicContact CD1-CD1 3.55Å; I897-L941 HydrophobicContact CD1-CD2 3.96Å; I897-L941 HydrophobicContact CD1-CG 3.53Å
898N79.1Confident84.1Confident124 Ų12450.1 Ų50.166%0.66328%0.277SS*.  trans-96.7-35.9-179.3-65.6-28000111.3D902N898-D902 PolarHBondContact N-OD2 3.27Å
899N79.5Confident84Confident101 Ų10150.1 Ų50.154%0.5428%0.277SS..SBendtrans-123162.4-174.9-62.72.3000112.2E901 D902 A903N899-E901 PolarHBondContact O-N 3.19Å; N899-D902 PolarHBondContact N-OD2 3.2Å; N899-D902 PolarHBondContact O-N 3.03Å; N899-D902 VanDerWaalsContact O-N 3.14Å; N899-A903 PolarHBondContact O-N 2.79Å
900A77.3Confident84Confident86 Ų8650.3 Ų50.371%0.71128%0.277SS*.Hα-helixtrans-59.4-32.6173.900000112.4A903 A904A900-A903 WeakPolarHBondContact O-CB 3.2Å; A900-A903 PolarHBondContact O-N 3.3Å; A900-A904 WeakPolarHBondContact O-CB 3.45Å; A900-A904 PolarHBondContact O-N 3.02Å
901E79.1Confident83.8Confident152 Ų15251.1 Ų51.171%0.7128%0.282SS*.Hα-helixtrans-63.8-41.7174.6-65.7-179.7177.200112.4N899 A903 A904 A905N899-E901 PolarHBondContact O-N 3.19Å; E901-A903 VanDerWaalsContact C-N 3.32Å; E901-A903 PolarHBondContact O-N 3.42Å; E901-A904 PolarHBondContact O-N 3.35Å; E901-A905 VanDerWaalsContact O-CB 3.26Å; E901-A905 WeakPolarHBondContact O-CB 3.47Å; E901-A905 PolarHBondContact O-N 3.48Å
902D80.7Confident83.8Confident16 Ų1650.8 Ų50.89%0.08628%0.281CS..Hα-helixtrans-64.3-41176.2-64.5-40.1000110.5R857 I897 N898 N899 A904 A905 V906R857-D902 IonicContact CZ-OD1 3.66Å; R857-D902 IonicContact NE-OD1 3.43Å; R857-D902 PolarHBondContact NE-OD1 2.73Å; R857-D902 IonicContact NH2-OD1 2.66Å; R857-D902 PolarHBondContact NH2-OD1 3.47Å; R857-D902 IonicContact NH2-OD2 2.8Å; I897-D902 HydrophobicContact CG2-CB 4.21Å; N898-D902 PolarHBondContact N-OD2 3.27Å; N899-D902 PolarHBondContact N-OD2 3.2Å; N899-D902 PolarHBondContact O-N 3.03Å; N899-D902 VanDerWaalsContact O-N 3.14Å; D902-A904 VanDerWaalsContact C-N 3.34Å; D902-A904 PolarHBondContact O-N 3.4Å; D902-A905 PolarHBondContact O-N 2.94Å; D902-V906 VanDerWaalsContact O-CG2 3.26Å; D902-V906 WeakPolarHBondContact O-CG2 3.22Å; D902-V906 PolarHBondContact O-N 3.28Å
903A79.8Confident83.8Confident34 Ų3450.8 Ų50.828%0.28128%0.281SS..Hα-helixtrans-62.4-42176.400000111.6I897 N899 A900 E901 G907I897-A903 HydrophobicContact CG2-CB 3.71Å; N899-A903 PolarHBondContact O-N 2.79Å; A900-A903 WeakPolarHBondContact O-CB 3.2Å; A900-A903 PolarHBondContact O-N 3.3Å; E901-A903 VanDerWaalsContact C-N 3.32Å; E901-A903 PolarHBondContact O-N 3.42Å; A903-G907 PolarHBondContact O-N 3.45Å
904A82.7Confident83.8Confident53 Ų5350.2 Ų50.244%0.43828%0.278SS..Hα-helixtrans-67.2-43176.400000111.8A900 E901 D902 G907 N908A900-A904 WeakPolarHBondContact O-CB 3.45Å; A900-A904 PolarHBondContact O-N 3.02Å; E901-A904 PolarHBondContact O-N 3.35Å; D902-A904 VanDerWaalsContact C-N 3.34Å; D902-A904 PolarHBondContact O-N 3.4Å; A904-G907 CarbonylContact O-C 3.57Å; A904-G907 WeakPolarHBondContact O-CA 3.1Å; A904-G907 PolarHBondContact O-N 3.15Å; A904-N908 VanDerWaalsContact O-CG 3.23Å; A904-N908 PolarHBondContact O-N 3.31Å; A904-N908 PolarHBondContact O-ND2 3.47Å
905A85.4Confident83.9Confident16 Ų1650.8 Ų50.813%0.13228%0.283CS..Hα-helixtrans-63.5-50.4179.400000111.4V856 E901 D902 G907 N908 A909V856-A905 HydrophobicContact CG1-CB 3.77Å; V856-A905 VanDerWaalsContact CG1-O 3.23Å; V856-A905 WeakPolarHBondContact CG1-O 3.47Å; E901-A905 VanDerWaalsContact O-CB 3.26Å; E901-A905 WeakPolarHBondContact O-CB 3.47Å; E901-A905 PolarHBondContact O-N 3.48Å; D902-A905 PolarHBondContact O-N 2.94Å; A905-G907 VanDerWaalsContact C-N 3.26Å; A905-G907 PolarHBondContact O-N 2.99Å; A905-N908 PolarHBondContact O-N 2.84Å; A905-A909 PolarHBondContact O-N 3.13Å
906V85.9Confident84Confident2 Ų252.5 Ų52.51%0.01229%0.29CS..Hα-helixtrans-64.7-34.7175.2-175.70000110.8V856 I895 D902 A909 L910 L941V856-V906 HydrophobicContact CG1-CB 4.33Å; V856-V906 HydrophobicContact CG1-CG2 3.91Å; V856-V906 VanDerWaalsContact CG1-N 3.34Å; I895-V906 HydrophobicContact CB-CG2 4.32Å; I895-V906 HydrophobicContact CD1-CG2 4.03Å; I895-V906 HydrophobicContact CG2-CG2 4.1Å; D902-V906 VanDerWaalsContact O-CG2 3.26Å; D902-V906 WeakPolarHBondContact O-CG2 3.22Å; D902-V906 PolarHBondContact O-N 3.28Å; V906-A909 PolarHBondContact O-N 2.92Å; V906-L910 HydrophobicContact CG1-CD1 4.47Å; V906-L910 WeakPolarHBondContact O-CG 3.42Å; V906-L910 PolarHBondContact O-N 3.45Å; V906-L941 HydrophobicContact CB-CD1 3.83Å; V906-L941 HydrophobicContact CG1-CD1 3.28Å
907G84.6Confident84.4Confident0 Ų050.2 Ų50.20%028%0.279CS..Hα-helixtrans-56.8-50.5170.900000112.6A903 A904 A905 A909 L910 D911A903-G907 PolarHBondContact O-N 3.45Å; A904-G907 CarbonylContact O-C 3.57Å; A904-G907 WeakPolarHBondContact O-CA 3.1Å; A904-G907 PolarHBondContact O-N 3.15Å; A905-G907 VanDerWaalsContact C-N 3.26Å; A905-G907 PolarHBondContact O-N 2.99Å; G907-A909 VanDerWaalsContact C-N 3.32Å; G907-A909 PolarHBondContact O-N 3.36Å; G907-L910 WeakPolarHBondContact O-CB 3.24Å; G907-L910 PolarHBondContact O-N 3.38Å; G907-L910 VanDerWaalsContact O-N 3.16Å; G907-D911 PolarHBondContact O-N 2.93Å
908N87.1Confident84.6Confident74 Ų7453.3 Ų53.340%0.39630%0.301SS..Hα-helixtrans-61.4-40177-68.1-22.9000111.8A904 A905 L910 D911 I912A904-N908 VanDerWaalsContact O-CG 3.23Å; A904-N908 PolarHBondContact O-N 3.31Å; A904-N908 PolarHBondContact O-ND2 3.47Å; A905-N908 PolarHBondContact O-N 2.84Å; N908-L910 VanDerWaalsContact C-N 3.35Å; N908-D911 PolarHBondContact O-N 3.21Å; N908-I912 WeakPolarHBondContact O-CG1 3.47Å; N908-I912 PolarHBondContact O-N 3.45Å
909A89.1Confident84.9Confident0 Ų048.1 Ų48.10%027%0.274CS..Hα-helixtrans-62.8-41174.800000112.1V856 M863 I867 L892 A905 V906 G907 I912 V913V856-A909 HydrophobicContact CG1-CB 4.05Å; V856-A909 HydrophobicContact CG2-CB 4.01Å; M863-A909 HydrophobicContact SD-CB 3.68Å; I867-A909 HydrophobicContact CD1-CB 4.17Å; L892-A909 HydrophobicContact CD1-CB 4.41Å; L892-A909 HydrophobicContact CD2-CB 4.08Å; A905-A909 PolarHBondContact O-N 3.13Å; V906-A909 PolarHBondContact O-N 2.92Å; G907-A909 VanDerWaalsContact C-N 3.32Å; G907-A909 PolarHBondContact O-N 3.36Å; A909-I912 PolarHBondContact O-N 2.9Å; A909-V913 VanDerWaalsContact O-CG2 3.32Å; A909-V913 WeakPolarHBondContact O-CG2 3.29Å; A909-V913 PolarHBondContact O-N 2.94Å
910L88.2Confident85.3Confident4 Ų443.4 Ų43.42%0.02125%0.248CC..Hα-helixtrans-64.3-42.5173.2-72.4169.8000111.1L892 V906 G907 N908 I912 V913 F914 L941L892-L910 HydrophobicContact CD1-CD2 3.9Å; L892-L910 HydrophobicContact CD1-CG 4.38Å; V906-L910 HydrophobicContact CG1-CD1 4.47Å; V906-L910 WeakPolarHBondContact O-CG 3.42Å; V906-L910 PolarHBondContact O-N 3.45Å; G907-L910 WeakPolarHBondContact O-CB 3.24Å; G907-L910 PolarHBondContact O-N 3.38Å; G907-L910 VanDerWaalsContact O-N 3.16Å; N908-L910 VanDerWaalsContact C-N 3.35Å; L910-I912 VanDerWaalsContact C-N 3.3Å; L910-I912 PolarHBondContact O-N 3.01Å; L910-V913 WeakPolarHBondContact O-CA 3.39Å; L910-V913 VanDerWaalsContact O-CB 3.3Å; L910-V913 WeakPolarHBondContact O-CB 3.43Å; L910-V913 PolarHBondContact O-N 2.9Å; L910-F914 WeakPolarHBondContact O-CD2 3.46Å; L910-F914 PolarHBondContact O-N 3.45Å; L910-L941 HydrophobicContact CD1-CB 4.34Å; L910-L941 HydrophobicContact CD1-CD1 4.11Å
911D88.2Confident85.9Confident32 Ų3241.9 Ų41.917%0.17123%0.23CC..Hα-helixtrans-60.6-40.2177.9-76.5-45.9000112G907 N908 F914 Q915 R944 R948G907-D911 PolarHBondContact O-N 2.93Å; N908-D911 PolarHBondContact O-N 3.21Å; D911-F914 PolarHBondContact O-N 3.33Å; D911-Q915 VanDerWaalsContact O-CG 3.3Å; D911-Q915 WeakPolarHBondContact O-CG 3.48Å; D911-Q915 PolarHBondContact O-N 3.43Å; D911-R944 IonicContact OD2-NH2 3.75Å; D911-R944 PolarHBondContact OD2-NH2 3.25Å; D911-R948 IonicContact OD1-CZ 2.64Å; D911-R948 IonicContact OD1-NE 3.71Å; D911-R948 PolarHBondContact OD1-NE 3.33Å; D911-R948 IonicContact OD1-NH2 2.65Å
912I87.4Confident86.4Confident11 Ų1137.9 Ų37.96%0.05621%0.21CC..Hα-helixtrans-61.3-44.6171.1-70.3165.1000111.4M863 A864 I867 N908 A909 L910 F914 Q915 E916M863-I912 HydrophobicContact CB-CD1 4.06Å; M863-I912 HydrophobicContact CG-CD1 4.07Å; M863-I912 HydrophobicContact SD-CD1 3.75Å; A864-I912 HydrophobicContact CB-CD1 4.01Å; A864-I912 HydrophobicContact CB-CG1 4.18Å; A864-I912 HydrophobicContact CB-CG2 3.76Å; I867-I912 HydrophobicContact CD1-CB 4.49Å; I867-I912 HydrophobicContact CD1-CG2 4.08Å; N908-I912 WeakPolarHBondContact O-CG1 3.47Å; N908-I912 PolarHBondContact O-N 3.45Å; A909-I912 PolarHBondContact O-N 2.9Å; L910-I912 VanDerWaalsContact C-N 3.3Å; L910-I912 PolarHBondContact O-N 3.01Å; I912-F914 VanDerWaalsContact C-N 3.25Å; I912-F914 PolarHBondContact O-N 3.04Å; I912-Q915 PolarHBondContact O-N 3.36Å; I912-Q915 VanDerWaalsContact O-N 3.14Å; I912-E916 PolarHBondContact O-N 2.93Å
913V88.5Confident86.8Confident1 Ų144.3 Ų44.31%0.00624%0.24CC..Hα-helixtrans-56.3-41.3176.6163.20000111.2I867 F888 V889 L892 A909 L910 F920 L925I867-V913 HydrophobicContact CG2-CG2 4.44Å; F888-V913 HydrophobicContact CD1-CG2 4Å; F888-V913 HydrophobicContact CE1-CG2 3.59Å; V889-V913 HydrophobicContact CG2-CG1 4Å; L892-V913 HydrophobicContact CD1-CG2 4.02Å; A909-V913 VanDerWaalsContact O-CG2 3.32Å; A909-V913 WeakPolarHBondContact O-CG2 3.29Å; A909-V913 PolarHBondContact O-N 2.94Å; L910-V913 WeakPolarHBondContact O-CA 3.39Å; L910-V913 VanDerWaalsContact O-CB 3.3Å; L910-V913 WeakPolarHBondContact O-CB 3.43Å; L910-V913 PolarHBondContact O-N 2.9Å; V913-F920 HydrophobicContact CB-CD2 4.26Å; V913-F920 HydrophobicContact CB-CE2 4.27Å; V913-F920 HydrophobicContact CG1-CB 4.1Å; V913-F920 HydrophobicContact CG1-CD1 3.73Å; V913-F920 HydrophobicContact CG1-CD2 3.89Å; V913-F920 HydrophobicContact CG1-CE1 4.03Å; V913-F920 HydrophobicContact CG1-CE2 4.19Å; V913-F920 HydrophobicContact CG1-CG 3.64Å; V913-F920 HydrophobicContact CG1-CZ 4.25Å; V913-F920 HydrophobicContact CG2-CD2 4.44Å; V913-F920 HydrophobicContact CG2-CE1 4.28Å; V913-F920 HydrophobicContact CG2-CE2 3.96Å; V913-F920 HydrophobicContact CG2-CZ 3.86Å; V913-F920 WeakPolarHBondContact O-CB 3.32Å; V913-F920 WeakPolarHBondContact O-CD2 3.17Å; V913-L925 HydrophobicContact CG1-CD2 4.39Å
914F89.2Confident87.3Confident6 Ų644.2 Ų44.23%0.02624%0.236CC..Hα-helixtrans-76.3-26.2178.3-75.4-74.1000113.7L910 D911 I912 L925 T945 R948 S949 T952L910-F914 WeakPolarHBondContact O-CD2 3.46Å; L910-F914 PolarHBondContact O-N 3.45Å; D911-F914 PolarHBondContact O-N 3.33Å; I912-F914 VanDerWaalsContact C-N 3.25Å; I912-F914 PolarHBondContact O-N 3.04Å; F914-L925 HydrophobicContact CD1-CD1 3.95Å; F914-L925 HydrophobicContact CE1-CD1 3.71Å; F914-L925 HydrophobicContact CE1-CD2 3.91Å; F914-L925 HydrophobicContact CE1-CG 4.4Å; F914-L925 HydrophobicContact CZ-CD2 4.16Å; F914-T945 HydrophobicContact CE2-CG2 4.18Å; F914-T945 HydrophobicContact CZ-CG2 3.83Å; F914-T945 WeakPolarHBondContact CZ-O 3.28Å; F914-R948 HydrophobicContact CB-CG 3.92Å; F914-R948 HydrophobicContact CD1-CB 4.46Å; F914-R948 HydrophobicContact CD1-CG 4.09Å; F914-R948 HydrophobicContact CD2-CB 3.73Å; F914-R948 HydrophobicContact CD2-CG 3.25Å; F914-R948 HydrophobicContact CE1-CB 4.34Å; F914-R948 HydrophobicContact CE1-CG 4.46Å; F914-R948 HydrophobicContact CE2-CB 3.61Å; F914-R948 HydrophobicContact CE2-CG 3.72Å; F914-R948 HydrophobicContact CG-CB 4.19Å; F914-R948 HydrophobicContact CG-CG 3.49Å; F914-R948 VanDerWaalsContact CG-CG 3.49Å; F914-R948 HydrophobicContact CZ-CB 3.93Å; F914-R948 HydrophobicContact CZ-CG 4.3Å; F914-S949 VanDerWaalsContact CE1-CA 3.48Å; F914-T952 HydrophobicContact CD1-CG2 4.41Å; F914-T952 WeakPolarHBondContact CD1-OG1 3.07Å; F914-T952 WeakPolarHBondContact O-CG2 3.34Å
915Q88Confident87.5Confident132 Ų13241.8 Ų41.862%0.61722%0.215SC*.Hα-helixtrans-70.3-35171.5-72.5170.46.300111.9D911 I912 Q917D911-Q915 VanDerWaalsContact O-CG 3.3Å; D911-Q915 WeakPolarHBondContact O-CG 3.48Å; D911-Q915 PolarHBondContact O-N 3.43Å; I912-Q915 PolarHBondContact O-N 3.36Å; I912-Q915 VanDerWaalsContact O-N 3.14Å; Q915-Q917 VanDerWaalsContact C-N 3.29Å; Q915-Q917 PolarHBondContact O-N 3.47Å
916E86.4Confident87.7Confident60 Ų6043.2 Ų43.228%0.2822%0.221SC..  trans-82.360.7-178.4-79.6-69.8156.900113.8V868 K872 I912 T918 T919 F920V868-E916 VanDerWaalsContact CG2-CD 3.44Å; V868-E916 HydrophobicContact CG2-CG 3.6Å; K872-E916 IonicContact NZ-OE2 2.81Å; I912-E916 PolarHBondContact O-N 2.93Å; E916-T918 PolarHBondContact O-N 3.37Å; E916-T918 VanDerWaalsContact O-N 3.11Å; E916-T919 PolarHBondContact O-N 3.43Å; E916-F920 HydrophobicContact CB-CD2 4.02Å; E916-F920 HydrophobicContact CB-CE2 4.41Å; E916-F920 PolarHBondContact O-N 3.18Å
917Q86.2Confident88Confident104 Ų10445.3 Ų45.349%0.48624%0.235SC..THydrogen-bonded Turntrans-62.2-21.2-175.4-61.3179.617.800114.5Q915 T919 T952 Y953Q915-Q917 VanDerWaalsContact C-N 3.29Å; Q915-Q917 PolarHBondContact O-N 3.47Å; Q917-T919 VanDerWaalsContact C-N 3.29Å; Q917-T919 PolarHBondContact O-N 3.22Å; Q917-T952 HydrophobicContact CG-CG2 4.1Å; Q917-Y953 WeakPolarHBondContact CB-OH 2.98Å
918T84.5Confident88.2Confident111 Ų11145.3 Ų45.368%0.68124%0.235SC*.THydrogen-bonded Turntrans-69.7-28.4175.765.90000112.7K872 E916K872-T918 PolarHBondContact NZ-OG1 2.78Å; E916-T918 PolarHBondContact O-N 3.37Å; E916-T918 VanDerWaalsContact O-N 3.11Å
919T84.1Confident88.3Confident16 Ų1641.8 Ų41.810%0.09822%0.217CC..THydrogen-bonded Turntrans-102.6-44.3-175.6-40.40000110.9V871 K872 P885 E916 Q917 T921V871-T919 HydrophobicContact CB-CG2 4.25Å; V871-T919 HydrophobicContact CG1-CG2 3.6Å; K872-T919 WeakPolarHBondContact CE-OG1 3.43Å; K872-T919 HydrophobicContact CG-CG2 4.15Å; K872-T919 PolarHBondContact NZ-OG1 3.3Å; P885-T919 HydrophobicContact CG-CG2 4.43Å; E916-T919 PolarHBondContact O-N 3.43Å; Q917-T919 VanDerWaalsContact C-N 3.29Å; Q917-T919 PolarHBondContact O-N 3.22Å; T919-T921 PolarHBondContact O-N 3.2Å
920F88.6Confident88.4Confident1 Ų145.8 Ų45.80%0.00424%0.235CC..SBendtrans-102.676-179.2-59.9-82.8000109.8I867 V871 P885 F888 V889 V913 E916 Y953I867-F920 HydrophobicContact CG2-CE2 4.14Å; I867-F920 HydrophobicContact CG2-CZ 4.13Å; V871-F920 HydrophobicContact CG2-CZ 4.04Å; P885-F920 HydrophobicContact CB-CD1 3.56Å; P885-F920 HydrophobicContact CB-CE1 3.5Å; P885-F920 HydrophobicContact CB-CG 4.44Å; P885-F920 HydrophobicContact CB-CZ 4.33Å; P885-F920 WeakPolarHBondContact O-CE1 3.47Å; F888-F920 HydrophobicContact CB-CE1 4.48Å; F888-F920 AromaticContact CD1-CE1 3.94Å; F888-F920 HydrophobicContact CD1-CE1 3.94Å; F888-F920 AromaticContact CD1-CZ 3.69Å; F888-F920 HydrophobicContact CD1-CZ 3.69Å; F888-F920 HydrophobicContact CE1-CZ 4.28Å; F888-F920 HydrophobicContact CG-CZ 4.49Å; V889-F920 HydrophobicContact CG2-CD1 4Å; V889-F920 HydrophobicContact CG2-CE1 3.99Å; V913-F920 HydrophobicContact CB-CD2 4.26Å; V913-F920 HydrophobicContact CB-CE2 4.27Å; V913-F920 HydrophobicContact CG1-CB 4.1Å; V913-F920 HydrophobicContact CG1-CD1 3.73Å; V913-F920 HydrophobicContact CG1-CD2 3.89Å; V913-F920 HydrophobicContact CG1-CE1 4.03Å; V913-F920 HydrophobicContact CG1-CE2 4.19Å; V913-F920 HydrophobicContact CG1-CG 3.64Å; V913-F920 HydrophobicContact CG1-CZ 4.25Å; V913-F920 HydrophobicContact CG2-CD2 4.44Å; V913-F920 HydrophobicContact CG2-CE1 4.28Å; V913-F920 HydrophobicContact CG2-CE2 3.96Å; V913-F920 HydrophobicContact CG2-CZ 3.86Å; V913-F920 WeakPolarHBondContact O-CB 3.32Å; V913-F920 WeakPolarHBondContact O-CD2 3.17Å; E916-F920 HydrophobicContact CB-CD2 4.02Å; E916-F920 HydrophobicContact CB-CE2 4.41Å; E916-F920 PolarHBondContact O-N 3.18Å; F920-Y953 PolarHBondContact O-OH 3.41Å
921T90.2Very high88.6Confident54 Ų5449.5 Ų49.533%0.33126%0.255SS..  trans-69164-178.768.30000111.7T919 E923 V924 L925T919-T921 PolarHBondContact O-N 3.2Å; T921-E923 PolarHBondContact O-N 3.2Å; T921-V924 PolarHBondContact O-N 3.37Å; T921-V924 VanDerWaalsContact O-N 3.12Å; T921-L925 PolarHBondContact O-N 2.9Å
922K89.2Confident88.6Confident68 Ų6848 Ų4830%0.29625%0.247SC..Hα-helixtrans-47.8-42.8173.5-178.2-173.6173.7-169.30113.1L926 Y953 Q955 L956K922-L926 VanDerWaalsContact O-CB 3.3Å; K922-L926 WeakPolarHBondContact O-CB 3.44Å; K922-L926 PolarHBondContact O-N 2.85Å; K922-Y953 HydrophobicContact CB-CD1 3.97Å; K922-Y953 HydrophobicContact CB-CE1 4.17Å; K922-Y953 HydrophobicContact CB-CG 4.19Å; K922-Y953 HydrophobicContact CG-CD1 4.47Å; K922-Y953 HydrophobicContact CG-CG 4.4Å; K922-Q955 VanDerWaalsContact NZ-CB 3.31Å; K922-L956 HydrophobicContact CD-CD2 4.28Å; K922-L956 HydrophobicContact CG-CD1 4.34Å; K922-L956 HydrophobicContact CG-CD2 3.7Å; K922-L956 HydrophobicContact CG-CG 4.03Å
923E89.4Confident88.6Confident151 Ų15147.5 Ų47.571%0.70624%0.244SC*.Hα-helixtrans-67.4-44.6-178.6-64.4-175.5171.500111.8T921 L925 L926 S927T921-E923 PolarHBondContact O-N 3.2Å; E923-L925 VanDerWaalsContact C-N 3.34Å; E923-L925 PolarHBondContact O-N 3.43Å; E923-L926 PolarHBondContact O-N 2.86Å; E923-S927 PolarHBondContact O-N 3.19Å; E923-S927 PolarHBondContact O-OG 2.71Å
924V89.4Confident88.5Confident32 Ų3251.2 Ų51.219%0.19426%0.264CS..Hα-helixtrans-62.9-43.7179.3177.20000110.8P885 L886 T921 S927 S928P885-V924 HydrophobicContact CB-CG1 4Å; L886-V924 HydrophobicContact CB-CG1 4.05Å; T921-V924 PolarHBondContact O-N 3.37Å; T921-V924 VanDerWaalsContact O-N 3.12Å; V924-S927 PolarHBondContact O-N 2.93Å; V924-S928 WeakPolarHBondContact O-CB 3.3Å; V924-S928 PolarHBondContact O-N 3.42Å
925L88.8Confident88.3Confident2 Ų254.3 Ų54.31%0.0128%0.278CS..Hα-helixtrans-66.6-40.5177.6-71.1167.2000112V889 V913 F914 T921 E923 S927 S928 L929 Y953V889-L925 HydrophobicContact CG2-CD2 4.42Å; V913-L925 HydrophobicContact CG1-CD2 4.39Å; F914-L925 HydrophobicContact CD1-CD1 3.95Å; F914-L925 HydrophobicContact CE1-CD1 3.71Å; F914-L925 HydrophobicContact CE1-CD2 3.91Å; F914-L925 HydrophobicContact CE1-CG 4.4Å; F914-L925 HydrophobicContact CZ-CD2 4.16Å; T921-L925 PolarHBondContact O-N 2.9Å; E923-L925 VanDerWaalsContact C-N 3.34Å; E923-L925 PolarHBondContact O-N 3.43Å; L925-S927 PolarHBondContact O-N 3.46Å; L925-S928 WeakPolarHBondContact CA-OG 3.42Å; L925-S928 PolarHBondContact O-N 3.45Å; L925-S928 PolarHBondContact O-OG 3.14Å; L925-L929 WeakPolarHBondContact O-CG 3.38Å; L925-L929 PolarHBondContact O-N 3.33Å; L925-Y953 HydrophobicContact CD1-CD2 3.79Å; L925-Y953 HydrophobicContact CD1-CE2 3.36Å
926L89.4Confident88.1Confident46 Ų4657.1 Ų57.124%0.24129%0.289CS..Hα-helixtrans-58.7-49.2173.8-173.7161.5000111.1K922 E923 S928 L929 Q930 L956 F959K922-L926 VanDerWaalsContact O-CB 3.3Å; K922-L926 WeakPolarHBondContact O-CB 3.44Å; K922-L926 PolarHBondContact O-N 2.85Å; E923-L926 PolarHBondContact O-N 2.86Å; L926-S928 VanDerWaalsContact C-N 3.3Å; L926-S928 PolarHBondContact O-N 2.92Å; L926-L929 PolarHBondContact O-N 2.94Å; L926-Q930 HydrophobicContact CD2-CG 4.13Å; L926-Q930 VanDerWaalsContact CD2-NE2 3.27Å; L926-Q930 WeakPolarHBondContact O-CG 3.37Å; L926-Q930 PolarHBondContact O-N 2.72Å; L926-L956 HydrophobicContact CB-CD2 4.1Å; L926-L956 HydrophobicContact CD1-CD2 3.78Å; L926-L956 HydrophobicContact CG-CD2 4.28Å; L926-F959 HydrophobicContact CG-CD1 4.22Å; L926-F959 HydrophobicContact CG-CE1 4.35Å; L926-F959 HydrophobicContact CG-CG 4.3Å
927S90.9Very high87.9Confident46 Ų4658.6 Ų58.632%0.32230%0.303SS..Hα-helixtrans-61.1-38.8175.9-63.70000112.2E923 V924 L925 Q930 L931E923-S927 PolarHBondContact O-N 3.19Å; E923-S927 PolarHBondContact O-OG 2.71Å; V924-S927 PolarHBondContact O-N 2.93Å; L925-S927 PolarHBondContact O-N 3.46Å; S927-Q930 PolarHBondContact O-N 2.77Å; S927-L931 WeakPolarHBondContact O-CG 3.42Å; S927-L931 PolarHBondContact O-N 3.45Å; S927-L931 VanDerWaalsContact O-N 3.09Å
928S90.3Very high87.8Confident0 Ų054.9 Ų54.90%029%0.287CS..Hα-helixtrans-62.8-46.5176.978.30000111.3L886 V924 L925 L926 Q930 L931 L932L886-S928 VanDerWaalsContact CD1-N 3.28Å; V924-S928 WeakPolarHBondContact O-CB 3.3Å; V924-S928 PolarHBondContact O-N 3.42Å; L925-S928 WeakPolarHBondContact CA-OG 3.42Å; L925-S928 PolarHBondContact O-N 3.45Å; L925-S928 PolarHBondContact O-OG 3.14Å; L926-S928 VanDerWaalsContact C-N 3.3Å; L926-S928 PolarHBondContact O-N 2.92Å; S928-Q930 VanDerWaalsContact C-N 3.35Å; S928-Q930 PolarHBondContact O-N 3.37Å; S928-L931 PolarHBondContact O-N 2.85Å; S928-L932 WeakPolarHBondContact O-CB 3.41Å; S928-L932 WeakPolarHBondContact O-CG 3.48Å; S928-L932 PolarHBondContact O-N 3.38Å
929L89.2Confident87.9Confident1 Ų150.2 Ų50.21%0.00526%0.259CS..Hα-helixtrans-62.6-41.2177.4-72.2174.9000111.6L925 L926 L931 L932 I933 L942 T945 V946 F959L925-L929 WeakPolarHBondContact O-CG 3.38Å; L925-L929 PolarHBondContact O-N 3.33Å; L926-L929 PolarHBondContact O-N 2.94Å; L929-L931 VanDerWaalsContact C-N 3.32Å; L929-L931 PolarHBondContact O-N 3.34Å; L929-L932 PolarHBondContact O-N 3.37Å; L929-I933 WeakPolarHBondContact O-CD1 3.1Å; L929-I933 WeakPolarHBondContact O-CG1 3.37Å; L929-I933 PolarHBondContact O-N 2.81Å; L929-L942 HydrophobicContact CD2-CD1 4.11Å; L929-T945 HydrophobicContact CD2-CG2 3.94Å; L929-V946 HydrophobicContact CD2-CG2 3.69Å; L929-F959 HydrophobicContact CB-CE1 3.76Å; L929-F959 HydrophobicContact CB-CZ 4.36Å; L929-F959 HydrophobicContact CD1-CE1 4.15Å
930Q90.6Very high87.8Confident84 Ų8452.8 Ų52.839%0.39327%0.271SS..Hα-helixtrans-56.8-45.6174.5-73.7-178.9-11.600111.9L926 S927 S928 F959L926-Q930 HydrophobicContact CD2-CG 4.13Å; L926-Q930 VanDerWaalsContact CD2-NE2 3.27Å; L926-Q930 WeakPolarHBondContact O-CG 3.37Å; L926-Q930 PolarHBondContact O-N 2.72Å; S927-Q930 PolarHBondContact O-N 2.77Å; S928-Q930 VanDerWaalsContact C-N 3.35Å; S928-Q930 PolarHBondContact O-N 3.37Å; Q930-F959 HydrophobicContact CB-CZ 4.42Å; Q930-F959 HydrophobicContact CG-CE1 4.44Å; Q930-F959 HydrophobicContact CG-CE2 3.57Å; Q930-F959 HydrophobicContact CG-CZ 3.34Å
931L91Very high87.6Confident82 Ų8253.7 Ų53.743%0.42928%0.276SS..Hα-helixtrans-72.4-36.8179.4-68.7178.6000113.1L886 M890 S927 S928 L929 D934 Q935L886-L931 HydrophobicContact CD1-CD1 4.17Å; L886-L931 HydrophobicContact CD2-CD1 4.01Å; L886-L931 HydrophobicContact CG-CD1 4.31Å; M890-L931 HydrophobicContact CE-CB 3.94Å; M890-L931 HydrophobicContact SD-CB 3.65Å; M890-L931 HydrophobicContact SD-CD1 4.44Å; S927-L931 WeakPolarHBondContact O-CG 3.42Å; S927-L931 PolarHBondContact O-N 3.45Å; S927-L931 VanDerWaalsContact O-N 3.09Å; S928-L931 PolarHBondContact O-N 2.85Å; L929-L931 VanDerWaalsContact C-N 3.32Å; L929-L931 PolarHBondContact O-N 3.34Å; L931-D934 PolarHBondContact O-N 3.49Å; L931-Q935 PolarHBondContact O-N 3.49Å; L931-Q935 PolarHBondContact O-NE2 3.16Å
932L90.1Very high87.4Confident1 Ų151.2 Ų51.21%0.00526%0.26CS..Hα-helixtrans-66-38.7179.1-71.9170.2000112V889 M890 H893 S928 L929 D934 Q935 P939 L942V889-L932 HydrophobicContact CG1-CD1 4.38Å; M890-L932 HydrophobicContact CE-CD2 3.8Å; M890-L932 HydrophobicContact CE-CG 4.27Å; M890-L932 HydrophobicContact SD-CD2 3.63Å; M890-L932 HydrophobicContact SD-CG 3.66Å; H893-L932 HydrophobicContact CB-CD2 3.47Å; H893-L932 VanDerWaalsContact CB-CD2 3.47Å; H893-L932 VanDerWaalsContact CG-CD2 3.48Å; S928-L932 WeakPolarHBondContact O-CB 3.41Å; S928-L932 WeakPolarHBondContact O-CG 3.48Å; S928-L932 PolarHBondContact O-N 3.38Å; L929-L932 PolarHBondContact O-N 3.37Å; L932-D934 PolarHBondContact O-N 3.14Å; L932-Q935 WeakPolarHBondContact O-CB 3.05Å; L932-Q935 PolarHBondContact O-N 3.36Å; L932-P939 HydrophobicContact CD2-CG 4.04Å; L932-L942 HydrophobicContact CB-CD1 3.78Å; L932-L942 HydrophobicContact CD1-CD1 4.28Å
933I86.7Confident87.3Confident0 Ų048 Ų480%025%0.247CC..Hα-helixtrans-58.9-35.2176.4-67.5155.5000110.4L929 L942 F959 V963 R966 K970L929-I933 WeakPolarHBondContact O-CD1 3.1Å; L929-I933 WeakPolarHBondContact O-CG1 3.37Å; L929-I933 PolarHBondContact O-N 2.81Å; I933-L942 HydrophobicContact CG1-CD2 4.39Å; I933-F959 HydrophobicContact CD1-CZ 4.43Å; I933-V963 HydrophobicContact CD1-CB 3.81Å; I933-V963 HydrophobicContact CD1-CG1 3.39Å; I933-V963 HydrophobicContact CD1-CG2 3.35Å; I933-V963 HydrophobicContact CG1-CG1 3.8Å; I933-R966 HydrophobicContact CG2-CB 4.39Å; I933-K970 PolarHBondContact O-NZ 3.09Å
934D86.9Confident87Confident79 Ų7946.6 Ų46.642%0.42224%0.235SC..THydrogen-bonded Turntrans-87-2.7-176.2-71.4-35.4000115.2L931 L932 R966 K970L931-D934 PolarHBondContact O-N 3.49Å; L932-D934 PolarHBondContact O-N 3.14Å; D934-R966 IonicContact OD1-CZ 2.97Å; D934-R966 IonicContact OD1-NH2 3.74Å; D934-R966 PolarHBondContact OD1-NH2 2.97Å; D934-R966 IonicContact OD2-CZ 3.77Å; D934-R966 IonicContact OD2-NH1 3.45Å; D934-R966 IonicContact OD2-NH2 3.55Å; D934-R966 PolarHBondContact OD2-NH2 3.16Å; D934-K970 IonicContact OD1-NZ 3.74Å; D934-K970 PolarHBondContact OD1-NZ 3.34Å
935Q85.3Confident86.9Confident70 Ų7045.1 Ų45.133%0.32723%0.226SC..  trans-65.5147.4172.4-64.5-59.7-53.900112.6M890 L931 L932 P937 P939M890-Q935 HydrophobicContact CE-CG 3.93Å; L931-Q935 PolarHBondContact O-N 3.49Å; L931-Q935 PolarHBondContact O-NE2 3.16Å; L932-Q935 WeakPolarHBondContact O-CB 3.05Å; L932-Q935 PolarHBondContact O-N 3.36Å; Q935-P937 CarbonylContact C-O 3.58Å; Q935-P939 HydrophobicContact CB-CG 4.2Å; Q935-P939 HydrophobicContact CG-CG 4.41Å
936K82Confident86.8Confident192 Ų19245 Ų4584%0.83523%0.225SC*.SBendtrans-132.2115.1173.8-65.9-178.9-177.2178.10108.3
937P83.8Confident86.5Confident90 Ų9045 Ų4558%0.58422%0.224SC*.SBendcis-68.5161.6-2.529.2-34.8000114Q935Q935-P937 CarbonylContact C-O 3.58Å
938L84.3Confident86.2Confident26 Ų2646.9 Ų46.914%0.13622%0.224CC..PPolyproline II helixtrans-63.1129.8173.5-88.8154.1000110.4L942 L967 K970 V972 R975 I978L938-L942 HydrophobicContact CD2-CD2 3.69Å; L938-L967 HydrophobicContact CD1-CD2 4.46Å; L938-L967 HydrophobicContact CD2-CD2 3.82Å; L938-K970 HydrophobicContact CD1-CB 4.09Å; L938-K970 HydrophobicContact CD1-CD 4.22Å; L938-V972 HydrophobicContact CD1-CG1 4.38Å; L938-R975 PolarHBondContact O-NH1 3.24Å; L938-I978 HydrophobicContact CB-CD1 4.23Å
939P85.5Confident86Confident14 Ų1446.9 Ų46.99%0.09122%0.224CC..PPolyproline II helixtrans-64.6136.9179.6-21.533.1000111.8H893 L932 Q935 L941 L942H893-P939 HydrophobicContact CB-CB 4.05Å; H893-P939 HydrophobicContact CB-CG 4.31Å; L932-P939 HydrophobicContact CD2-CG 4.04Å; Q935-P939 HydrophobicContact CB-CG 4.2Å; Q935-P939 HydrophobicContact CG-CG 4.41Å; P939-L941 VanDerWaalsContact C-N 3.31Å; P939-L941 PolarHBondContact O-N 2.95Å; P939-L942 HydrophobicContact CB-CB 4.4Å; P939-L942 VanDerWaalsContact O-CB 3.24Å; P939-L942 WeakPolarHBondContact O-CB 3.4Å; P939-L942 PolarHBondContact O-N 3.42Å
940I82.1Confident85.8Confident70 Ų7047.7 Ų47.736%0.35923%0.228SC..THydrogen-bonded Turntrans-66.2-37.1-176.5-56.2166.6000110.8L942 Q977I940-L942 VanDerWaalsContact C-N 3.27Å; I940-L942 PolarHBondContact O-N 3.23Å; I940-Q977 HydrophobicContact CG2-CB 4.31Å
941L83.9Confident85.5Confident20 Ų2047.6 Ų47.611%0.10523%0.23CC..THydrogen-bonded Turntrans-79.6-1.5179.5-62178.3000114.4I897 V906 L910 P939 M943 R944 T945I897-L941 HydrophobicContact CD1-CD1 3.55Å; I897-L941 HydrophobicContact CD1-CD2 3.96Å; I897-L941 HydrophobicContact CD1-CG 3.53Å; V906-L941 HydrophobicContact CB-CD1 3.83Å; V906-L941 HydrophobicContact CG1-CD1 3.28Å; L910-L941 HydrophobicContact CD1-CB 4.34Å; L910-L941 HydrophobicContact CD1-CD1 4.11Å; P939-L941 VanDerWaalsContact C-N 3.31Å; P939-L941 PolarHBondContact O-N 2.95Å; L941-M943 VanDerWaalsContact C-N 3.26Å; L941-M943 PolarHBondContact O-N 2.85Å; L941-R944 WeakPolarHBondContact O-CB 3.44Å; L941-R944 PolarHBondContact O-N 2.95Å; L941-R944 VanDerWaalsContact O-N 3.11Å; L941-T945 PolarHBondContact O-N 2.83Å; L941-T945 PolarHBondContact O-OG1 3.07Å
942L87.6Confident85.3Confident2 Ų244.9 Ų44.91%0.0122%0.217CC..Hα-helixtrans-53.5-45.4-178.2173.261000111.7L929 L932 I933 L938 P939 I940 R944 T945 V946 L967L929-L942 HydrophobicContact CD2-CD1 4.11Å; L932-L942 HydrophobicContact CB-CD1 3.78Å; L932-L942 HydrophobicContact CD1-CD1 4.28Å; I933-L942 HydrophobicContact CG1-CD2 4.39Å; L938-L942 HydrophobicContact CD2-CD2 3.69Å; P939-L942 HydrophobicContact CB-CB 4.4Å; P939-L942 VanDerWaalsContact O-CB 3.24Å; P939-L942 WeakPolarHBondContact O-CB 3.4Å; P939-L942 PolarHBondContact O-N 3.42Å; I940-L942 VanDerWaalsContact C-N 3.27Å; I940-L942 PolarHBondContact O-N 3.23Å; L942-R944 VanDerWaalsContact C-N 3.32Å; L942-R944 PolarHBondContact O-N 3.43Å; L942-T945 PolarHBondContact O-N 3.18Å; L942-V946 HydrophobicContact CD1-CG2 4.1Å; L942-V946 HydrophobicContact CG-CG2 4.4Å; L942-V946 VanDerWaalsContact O-CG2 3.32Å; L942-V946 WeakPolarHBondContact O-CG2 3.45Å; L942-V946 PolarHBondContact O-N 3Å; L942-L967 HydrophobicContact CD2-CD1 4.5Å; L942-L967 HydrophobicContact CD2-CD2 3.94Å
943M86.1Confident85.3Confident1 Ų146.4 Ų46.41%0.00522%0.223CC..Hα-helixtrans-65.2-37.3-177.5-69.5-52.5-44.100112.4L941 V946 E947 L964 L967 I978 S981 F982 C985L941-M943 VanDerWaalsContact C-N 3.26Å; L941-M943 PolarHBondContact O-N 2.85Å; M943-V946 PolarHBondContact O-N 3.03Å; M943-E947 WeakPolarHBondContact O-CB 3.39Å; M943-E947 PolarHBondContact O-N 3.16Å; M943-L964 HydrophobicContact CE-CD2 3.97Å; M943-L967 HydrophobicContact SD-CD1 3.66Å; M943-I978 HydrophobicContact CG-CG2 3.91Å; M943-S981 VanDerWaalsContact CB-CB 3.47Å; M943-F982 HydrophobicContact CE-CB 4.29Å; M943-F982 HydrophobicContact CE-CD2 4.32Å; M943-F982 HydrophobicContact CG-CB 4.49Å; M943-F982 HydrophobicContact SD-CB 4.16Å; M943-F982 HydrophobicContact SD-CD2 4.12Å; M943-C985 HydrophobicContact CE-CB 3.16Å; M943-C985 WeakPolarHBondContact CE-SG 3.34Å
944R82.2Confident85.2Confident120 Ų12050.2 Ų50.245%0.45325%0.248SC..Hα-helixtrans-64.6-42.6174.7-172.4177.1179.9115.1-1.4111.1D911 L941 L942 E947 R948D911-R944 IonicContact OD2-NH2 3.75Å; D911-R944 PolarHBondContact OD2-NH2 3.25Å; L941-R944 WeakPolarHBondContact O-CB 3.44Å; L941-R944 PolarHBondContact O-N 2.95Å; L941-R944 VanDerWaalsContact O-N 3.11Å; L942-R944 VanDerWaalsContact C-N 3.32Å; L942-R944 PolarHBondContact O-N 3.43Å; R944-E947 PolarHBondContact O-N 3.19Å; R944-R948 WeakPolarHBondContact O-CB 3.35Å; R944-R948 PolarHBondContact O-N 2.82Å
945T87.7Confident85.2Confident1 Ų153.5 Ų53.51%0.00626%0.261CS..Hα-helixtrans-65.6-38.9176.5-560000111.8H893 F914 L929 L941 L942 S949H893-T945 PolarHBondContact CE1-OG1 3.3Å; H893-T945 PolarHBondContact NE2-OG1 3.16Å; F914-T945 HydrophobicContact CE2-CG2 4.18Å; F914-T945 HydrophobicContact CZ-CG2 3.83Å; F914-T945 WeakPolarHBondContact CZ-O 3.28Å; L929-T945 HydrophobicContact CD2-CG2 3.94Å; L941-T945 PolarHBondContact O-N 2.83Å; L941-T945 PolarHBondContact O-OG1 3.07Å; L942-T945 PolarHBondContact O-N 3.18Å; T945-S949 VanDerWaalsContact O-CB 3.23Å; T945-S949 WeakPolarHBondContact O-CB 3.26Å; T945-S949 PolarHBondContact O-N 3.43Å; T945-S949 PolarHBondContact O-OG 2.79Å
946V87Confident85.3Confident0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-62.3-49173.3170.90000110.5L929 L942 M943 S949 I950 V960 V963L929-V946 HydrophobicContact CD2-CG2 3.69Å; L942-V946 HydrophobicContact CD1-CG2 4.1Å; L942-V946 HydrophobicContact CG-CG2 4.4Å; L942-V946 VanDerWaalsContact O-CG2 3.32Å; L942-V946 WeakPolarHBondContact O-CG2 3.45Å; L942-V946 PolarHBondContact O-N 3Å; M943-V946 PolarHBondContact O-N 3.03Å; V946-S949 PolarHBondContact O-N 3.34Å; V946-S949 PolarHBondContact O-OG 2.88Å; V946-I950 HydrophobicContact CG1-CD1 4.27Å; V946-I950 WeakPolarHBondContact O-CG1 3.44Å; V946-I950 PolarHBondContact O-N 3.03Å; V946-V960 HydrophobicContact CG1-CB 4.37Å; V946-V960 HydrophobicContact CG1-CG1 3.47Å; V946-V960 VanDerWaalsContact CG1-CG1 3.47Å; V946-V960 HydrophobicContact CG1-CG2 3.98Å; V946-V963 HydrophobicContact CG2-CG1 4.31Å
947E82.6Confident85.4Confident46 Ų4643.7 Ų43.722%0.21522%0.218CC..Hα-helixtrans-57.4-52.3178.6-175.8175.6-170.300111.5M943 R944 S949 I950 D951 R988M943-E947 WeakPolarHBondContact O-CB 3.39Å; M943-E947 PolarHBondContact O-N 3.16Å; R944-E947 PolarHBondContact O-N 3.19Å; E947-S949 VanDerWaalsContact C-N 3.28Å; E947-S949 PolarHBondContact O-N 3.41Å; E947-I950 WeakPolarHBondContact O-CB 3.47Å; E947-I950 PolarHBondContact O-N 2.68Å; E947-I950 VanDerWaalsContact O-N 3.08Å; E947-D951 PolarHBondContact O-N 3.31Å; E947-R988 WeakPolarHBondContact OE1-CD 3.04Å; E947-R988 IonicContact OE1-CZ 3.57Å; E947-R988 IonicContact OE1-NE 3.1Å; E947-R988 PolarHBondContact OE1-NE 3.24Å; E947-R988 IonicContact OE1-NH1 3.24Å; E947-R988 PolarHBondContact OE1-NH1 3.16Å
948R84.9Confident85.3Confident86 Ų8641.2 Ų41.233%0.32521%0.21SC..Hα-helixtrans-66.1-30.1-179.2-160.462.4166.3147.97.2113.4D911 F914 R944 I950 D951 T952D911-R948 IonicContact OD1-CZ 2.64Å; D911-R948 IonicContact OD1-NE 3.71Å; D911-R948 PolarHBondContact OD1-NE 3.33Å; D911-R948 IonicContact OD1-NH2 2.65Å; F914-R948 HydrophobicContact CB-CG 3.92Å; F914-R948 HydrophobicContact CD1-CB 4.46Å; F914-R948 HydrophobicContact CD1-CG 4.09Å; F914-R948 HydrophobicContact CD2-CB 3.73Å; F914-R948 HydrophobicContact CD2-CG 3.25Å; F914-R948 HydrophobicContact CE1-CB 4.34Å; F914-R948 HydrophobicContact CE1-CG 4.46Å; F914-R948 HydrophobicContact CE2-CB 3.61Å; F914-R948 HydrophobicContact CE2-CG 3.72Å; F914-R948 HydrophobicContact CG-CB 4.19Å; F914-R948 HydrophobicContact CG-CG 3.49Å; F914-R948 VanDerWaalsContact CG-CG 3.49Å; F914-R948 HydrophobicContact CZ-CB 3.93Å; F914-R948 HydrophobicContact CZ-CG 4.3Å; R944-R948 WeakPolarHBondContact O-CB 3.35Å; R944-R948 PolarHBondContact O-N 2.82Å; R948-I950 VanDerWaalsContact C-N 3.27Å; R948-I950 PolarHBondContact O-N 3.25Å; R948-D951 IonicContact NH1-OD2 4Å; R948-D951 PolarHBondContact O-N 3.36Å; R948-T952 WeakPolarHBondContact O-CB 3.46Å; R948-T952 PolarHBondContact O-N 3.44Å; R948-T952 PolarHBondContact O-OG1 2.88Å
949S86.7Confident85.3Confident0 Ų041.8 Ų41.80%021%0.211CC..Hα-helixtrans-65.6-30.2174.675.80000113.1F914 T945 V946 E947 Y953F914-S949 VanDerWaalsContact CE1-CA 3.48Å; T945-S949 VanDerWaalsContact O-CB 3.23Å; T945-S949 WeakPolarHBondContact O-CB 3.26Å; T945-S949 PolarHBondContact O-N 3.43Å; T945-S949 PolarHBondContact O-OG 2.79Å; V946-S949 PolarHBondContact O-N 3.34Å; V946-S949 PolarHBondContact O-OG 2.88Å; E947-S949 VanDerWaalsContact C-N 3.28Å; E947-S949 PolarHBondContact O-N 3.41Å; S949-Y953 CarbonylContact O-C 3.59Å; S949-Y953 WeakPolarHBondContact O-CA 3.34Å; S949-Y953 WeakPolarHBondContact O-CB 3.39Å; S949-Y953 PolarHBondContact O-N 2.88Å
950I84.8Confident85.2Confident18 Ų1841.1 Ų41.19%0.09221%0.207CC..Hα-helixtrans-76.3-43.1177.2-64.3160.2000110.2V946 E947 R948 T952 Y953 P954 M957 V960 T989V946-I950 HydrophobicContact CG1-CD1 4.27Å; V946-I950 WeakPolarHBondContact O-CG1 3.44Å; V946-I950 PolarHBondContact O-N 3.03Å; E947-I950 WeakPolarHBondContact O-CB 3.47Å; E947-I950 PolarHBondContact O-N 2.68Å; E947-I950 VanDerWaalsContact O-N 3.08Å; R948-I950 VanDerWaalsContact C-N 3.27Å; R948-I950 PolarHBondContact O-N 3.25Å; I950-T952 VanDerWaalsContact C-N 3.28Å; I950-T952 PolarHBondContact O-N 3.12Å; I950-Y953 CarbonylContact O-C 3.46Å; I950-Y953 PolarHBondContact O-N 2.91Å; I950-P954 WeakPolarHBondContact O-CA 3.33Å; I950-P954 WeakPolarHBondContact O-CD 3.45Å; I950-P954 VanDerWaalsContact O-N 3.16Å; I950-M957 HydrophobicContact CG2-CE 4.38Å; I950-V960 HydrophobicContact CD1-CB 4.04Å; I950-V960 HydrophobicContact CD1-CG1 3.7Å; I950-V960 HydrophobicContact CD1-CG2 3.79Å; I950-V960 HydrophobicContact CG1-CB 4.38Å; I950-V960 HydrophobicContact CG1-CG2 3.71Å; I950-T989 HydrophobicContact CD1-CG2 3.19Å; I950-T989 HydrophobicContact CG1-CG2 4.43Å
951D84.7Confident85.2Confident81 Ų8140.4 Ų40.443%0.43320%0.202SC..Hα-helixtrans-58.5-43.6176.4-64.3-15.9000111E947 R948E947-D951 PolarHBondContact O-N 3.31Å; R948-D951 IonicContact NH1-OD2 4Å; R948-D951 PolarHBondContact O-N 3.36Å
952T86.1Confident85.2Confident26 Ų2642.7 Ų42.716%0.1622%0.217CC..Hα-helixtrans-79.5-39.5-177-45.90000111.9F914 Q917 R948 I950F914-T952 HydrophobicContact CD1-CG2 4.41Å; F914-T952 WeakPolarHBondContact CD1-OG1 3.07Å; F914-T952 WeakPolarHBondContact O-CG2 3.34Å; Q917-T952 HydrophobicContact CG-CG2 4.1Å; R948-T952 WeakPolarHBondContact O-CB 3.46Å; R948-T952 PolarHBondContact O-N 3.44Å; R948-T952 PolarHBondContact O-OG1 2.88Å; I950-T952 VanDerWaalsContact C-N 3.28Å; I950-T952 PolarHBondContact O-N 3.12Å
953Y90.1Very high85.1Confident32 Ų3242.7 Ų42.713%0.12522%0.217CC..  trans-133.480.7-176.8-59.4-74.5000111.5Q917 F920 K922 L925 S949 I950 Q955 L956Q917-Y953 WeakPolarHBondContact CB-OH 2.98Å; F920-Y953 PolarHBondContact O-OH 3.41Å; K922-Y953 HydrophobicContact CB-CD1 3.97Å; K922-Y953 HydrophobicContact CB-CE1 4.17Å; K922-Y953 HydrophobicContact CB-CG 4.19Å; K922-Y953 HydrophobicContact CG-CD1 4.47Å; K922-Y953 HydrophobicContact CG-CG 4.4Å; L925-Y953 HydrophobicContact CD1-CD2 3.79Å; L925-Y953 HydrophobicContact CD1-CE2 3.36Å; S949-Y953 CarbonylContact O-C 3.59Å; S949-Y953 WeakPolarHBondContact O-CA 3.34Å; S949-Y953 WeakPolarHBondContact O-CB 3.39Å; S949-Y953 PolarHBondContact O-N 2.88Å; I950-Y953 CarbonylContact O-C 3.46Å; I950-Y953 PolarHBondContact O-N 2.91Å; Y953-Q955 PolarHBondContact O-N 2.92Å; Y953-L956 WeakPolarHBondContact O-CB 3.41Å; Y953-L956 PolarHBondContact O-N 2.85Å
954P85.9Confident85.1Confident80 Ų8042.6 Ų42.652%0.51922%0.217SC..G310 helixtrans-56.6-24.1-176.1-27.834.9000114.6I950 L956 M957I950-P954 WeakPolarHBondContact O-CA 3.33Å; I950-P954 WeakPolarHBondContact O-CD 3.45Å; I950-P954 VanDerWaalsContact O-N 3.16Å; P954-L956 PolarHBondContact O-N 2.99Å; P954-L956 VanDerWaalsContact O-N 3.15Å; P954-M957 WeakPolarHBondContact O-CB 3.29Å; P954-M957 PolarHBondContact O-N 3.46Å; P954-M957 VanDerWaalsContact O-N 3.14Å
955Q87Confident85.2Confident149 Ų14939.8 Ų39.870%0.69621%0.209SC*.G310 helixtrans-63.5-15.5176-58.2170.83.600113.7K922 Y953 M957K922-Q955 VanDerWaalsContact NZ-CB 3.31Å; Y953-Q955 PolarHBondContact O-N 2.92Å; Q955-M957 VanDerWaalsContact C-N 3.25Å
956L85.8Confident85.2Confident2 Ų244.2 Ų44.21%0.0123%0.225CC..G310 helixtrans-78.7-5.2175.9-65.8179.4000113.1K922 L926 Y953 P954 G958 F959 V960K922-L956 HydrophobicContact CD-CD2 4.28Å; K922-L956 HydrophobicContact CG-CD1 4.34Å; K922-L956 HydrophobicContact CG-CD2 3.7Å; K922-L956 HydrophobicContact CG-CG 4.03Å; L926-L956 HydrophobicContact CB-CD2 4.1Å; L926-L956 HydrophobicContact CD1-CD2 3.78Å; L926-L956 HydrophobicContact CG-CD2 4.28Å; Y953-L956 WeakPolarHBondContact O-CB 3.41Å; Y953-L956 PolarHBondContact O-N 2.85Å; P954-L956 PolarHBondContact O-N 2.99Å; P954-L956 VanDerWaalsContact O-N 3.15Å; L956-G958 VanDerWaalsContact C-N 3.31Å; L956-G958 PolarHBondContact O-N 2.96Å; L956-F959 WeakPolarHBondContact O-CA 3.29Å; L956-F959 WeakPolarHBondContact O-CB 3.36Å; L956-F959 PolarHBondContact O-N 3.1Å; L956-V960 PolarHBondContact O-N 3.42Å
957M83.7Confident85.2Confident53 Ų5344.2 Ų44.226%0.26123%0.225SC..Hα-helixtrans-54.6-42.3-174.1-156.8-178.3-73.700113.5I950 P954 Q955 F959 V960 Q961 Q992I950-M957 HydrophobicContact CG2-CE 4.38Å; P954-M957 WeakPolarHBondContact O-CB 3.29Å; P954-M957 PolarHBondContact O-N 3.46Å; P954-M957 VanDerWaalsContact O-N 3.14Å; Q955-M957 VanDerWaalsContact C-N 3.25Å; M957-F959 VanDerWaalsContact C-N 3.34Å; M957-F959 PolarHBondContact O-N 3.21Å; M957-V960 PolarHBondContact O-N 3.03Å; M957-Q961 PolarHBondContact O-N 3.48Å; M957-Q992 VanDerWaalsContact SD-CD 3.53Å; M957-Q992 PolarHBondContact SD-NE2 3.29Å
958G83Confident85.3Confident39 Ų3942.4 Ų42.440%0.40222%0.217SC..Hα-helixtrans-66.6-32.9176.600000113.7L956 T962L956-G958 VanDerWaalsContact C-N 3.31Å; L956-G958 PolarHBondContact O-N 2.96Å; G958-T962 PolarHBondContact O-OG1 3.03Å
959F84.7Confident85.3Confident37 Ų3743.8 Ų43.816%0.16224%0.235CC..Hα-helixtrans-68.8-43.9171.6173.8-106.1000110.4L926 L929 Q930 I933 L956 M957 Q961 T962 V963L926-F959 HydrophobicContact CG-CD1 4.22Å; L926-F959 HydrophobicContact CG-CE1 4.35Å; L926-F959 HydrophobicContact CG-CG 4.3Å; L929-F959 HydrophobicContact CB-CE1 3.76Å; L929-F959 HydrophobicContact CB-CZ 4.36Å; L929-F959 HydrophobicContact CD1-CE1 4.15Å; Q930-F959 HydrophobicContact CB-CZ 4.42Å; Q930-F959 HydrophobicContact CG-CE1 4.44Å; Q930-F959 HydrophobicContact CG-CE2 3.57Å; Q930-F959 HydrophobicContact CG-CZ 3.34Å; I933-F959 HydrophobicContact CD1-CZ 4.43Å; L956-F959 WeakPolarHBondContact O-CA 3.29Å; L956-F959 WeakPolarHBondContact O-CB 3.36Å; L956-F959 PolarHBondContact O-N 3.1Å; M957-F959 VanDerWaalsContact C-N 3.34Å; M957-F959 PolarHBondContact O-N 3.21Å; F959-Q961 VanDerWaalsContact C-N 3.26Å; F959-Q961 PolarHBondContact O-N 3.4Å; F959-T962 CarbonylContact O-C 3.34Å; F959-T962 WeakPolarHBondContact O-CA 3.02Å; F959-T962 VanDerWaalsContact O-CB 3.25Å; F959-T962 WeakPolarHBondContact O-CB 3.48Å; F959-T962 PolarHBondContact O-N 3.33Å; F959-V963 HydrophobicContact CD1-CG2 3.8Å; F959-V963 HydrophobicContact CD2-CG2 4.48Å; F959-V963 HydrophobicContact CE1-CG2 3.33Å; F959-V963 HydrophobicContact CE2-CG2 4.09Å; F959-V963 HydrophobicContact CG-CG2 4.35Å; F959-V963 HydrophobicContact CZ-CG2 3.48Å; F959-V963 VanDerWaalsContact CZ-CG2 3.48Å; F959-V963 WeakPolarHBondContact O-CG2 3.39Å; F959-V963 PolarHBondContact O-N 2.9Å
960V83.5Confident85.2Confident0 Ų047.1 Ų47.10%025%0.249CC..Hα-helixtrans-59.9-36177.7175.90000112.2V946 I950 L956 M957 T962 V963 L964 T989V946-V960 HydrophobicContact CG1-CB 4.37Å; V946-V960 HydrophobicContact CG1-CG1 3.47Å; V946-V960 VanDerWaalsContact CG1-CG1 3.47Å; V946-V960 HydrophobicContact CG1-CG2 3.98Å; I950-V960 HydrophobicContact CD1-CB 4.04Å; I950-V960 HydrophobicContact CD1-CG1 3.7Å; I950-V960 HydrophobicContact CD1-CG2 3.79Å; I950-V960 HydrophobicContact CG1-CB 4.38Å; I950-V960 HydrophobicContact CG1-CG2 3.71Å; L956-V960 PolarHBondContact O-N 3.42Å; M957-V960 PolarHBondContact O-N 3.03Å; V960-T962 VanDerWaalsContact C-N 3.27Å; V960-T962 PolarHBondContact O-N 2.94Å; V960-V963 WeakPolarHBondContact O-CB 3.29Å; V960-V963 PolarHBondContact O-N 3.29Å; V960-V963 VanDerWaalsContact O-N 3.11Å; V960-L964 HydrophobicContact CG1-CD1 3.78Å; V960-L964 HydrophobicContact CG1-CG 4.02Å; V960-L964 WeakPolarHBondContact O-CG 3.42Å; V960-L964 PolarHBondContact O-N 3.39Å; V960-T989 HydrophobicContact CG1-CG2 4.4Å
961Q80.7Confident85.2Confident55 Ų5550.2 Ų50.226%0.25726%0.264SS..Hα-helixtrans-55.6-44.4171.2-173.2-176.316.800111.9M957 F959 L964 Q965 Q992M957-Q961 PolarHBondContact O-N 3.48Å; F959-Q961 VanDerWaalsContact C-N 3.26Å; F959-Q961 PolarHBondContact O-N 3.4Å; Q961-L964 PolarHBondContact O-N 3Å; Q961-Q965 WeakPolarHBondContact O-CG 3.3Å; Q961-Q965 PolarHBondContact O-N 2.66Å; Q961-Q965 VanDerWaalsContact O-N 3.09Å; Q961-Q992 VanDerWaalsContact CD-O 3.3Å; Q961-Q992 WeakPolarHBondContact CG-O 3.2Å; Q961-Q992 PolarHBondContact NE2-O 3.08Å
962T84.5Confident85.2Confident69 Ų6946.7 Ų46.742%0.42325%0.245SC..Hα-helixtrans-66.4-39.5176.5-510000111.2G958 F959 V960 Q965 R966G958-T962 PolarHBondContact O-OG1 3.03Å; F959-T962 CarbonylContact O-C 3.34Å; F959-T962 WeakPolarHBondContact O-CA 3.02Å; F959-T962 VanDerWaalsContact O-CB 3.25Å; F959-T962 WeakPolarHBondContact O-CB 3.48Å; F959-T962 PolarHBondContact O-N 3.33Å; V960-T962 VanDerWaalsContact C-N 3.27Å; V960-T962 PolarHBondContact O-N 2.94Å; T962-Q965 PolarHBondContact O-N 3.31Å; T962-R966 WeakPolarHBondContact O-CG 3.4Å; T962-R966 PolarHBondContact O-N 3.33Å
963V85.8Confident85.1Confident1 Ų147.5 Ų47.51%0.00625%0.245CC..Hα-helixtrans-59.3-50.6174.8172.90000111I933 V946 F959 V960 Q965 R966 L967I933-V963 HydrophobicContact CD1-CB 3.81Å; I933-V963 HydrophobicContact CD1-CG1 3.39Å; I933-V963 HydrophobicContact CD1-CG2 3.35Å; I933-V963 HydrophobicContact CG1-CG1 3.8Å; V946-V963 HydrophobicContact CG2-CG1 4.31Å; F959-V963 HydrophobicContact CD1-CG2 3.8Å; F959-V963 HydrophobicContact CD2-CG2 4.48Å; F959-V963 HydrophobicContact CE1-CG2 3.33Å; F959-V963 HydrophobicContact CE2-CG2 4.09Å; F959-V963 HydrophobicContact CG-CG2 4.35Å; F959-V963 HydrophobicContact CZ-CG2 3.48Å; F959-V963 VanDerWaalsContact CZ-CG2 3.48Å; F959-V963 WeakPolarHBondContact O-CG2 3.39Å; F959-V963 PolarHBondContact O-N 2.9Å; V960-V963 WeakPolarHBondContact O-CB 3.29Å; V960-V963 PolarHBondContact O-N 3.29Å; V960-V963 VanDerWaalsContact O-N 3.11Å; V963-Q965 VanDerWaalsContact C-N 3.34Å; V963-Q965 PolarHBondContact O-N 3.16Å; V963-R966 WeakPolarHBondContact O-CB 3.49Å; V963-R966 PolarHBondContact O-N 3.45Å; V963-R966 VanDerWaalsContact O-N 3.11Å; V963-L967 HydrophobicContact CG1-CD1 3.99Å; V963-L967 HydrophobicContact CG1-CG 4.31Å; V963-L967 WeakPolarHBondContact O-CG 3.3Å; V963-L967 PolarHBondContact O-N 3.09Å
964L85.2Confident84.8Confident0 Ų053.1 Ų53.10%027%0.27CS..Hα-helixtrans-63.6-39.8-177.8-67.9167.8000111.4M943 V960 Q961 R966 L967 V968 F982 C993 A996M943-L964 HydrophobicContact CE-CD2 3.97Å; V960-L964 HydrophobicContact CG1-CD1 3.78Å; V960-L964 HydrophobicContact CG1-CG 4.02Å; V960-L964 WeakPolarHBondContact O-CG 3.42Å; V960-L964 PolarHBondContact O-N 3.39Å; Q961-L964 PolarHBondContact O-N 3Å; L964-R966 PolarHBondContact O-N 3.34Å; L964-L967 HydrophobicContact CD2-CD1 4.36Å; L964-L967 PolarHBondContact O-N 2.82Å; L964-V968 WeakPolarHBondContact O-CG2 3.27Å; L964-V968 PolarHBondContact O-N 2.88Å; L964-F982 HydrophobicContact CB-CE2 4.09Å; L964-F982 HydrophobicContact CD2-CD2 3.66Å; L964-F982 HydrophobicContact CD2-CE2 3.44Å; L964-F982 VanDerWaalsContact CD2-CE2 3.44Å; L964-F982 HydrophobicContact CD2-CZ 4.34Å; L964-F982 HydrophobicContact CG-CE2 4.36Å; L964-C993 HydrophobicContact CD1-CB 3.84Å; L964-C993 WeakPolarHBondContact CD1-SG 3.35Å; L964-A996 HydrophobicContact CB-CB 4.26Å
965Q85.2Confident84.5Confident61 Ų6154.8 Ų54.829%0.28527%0.266SS..Hα-helixtrans-60.4-44.1171.9-72.3176.20.800112.1Q961 T962 V963 L967 V968 V969 A996Q961-Q965 WeakPolarHBondContact O-CG 3.3Å; Q961-Q965 PolarHBondContact O-N 2.66Å; Q961-Q965 VanDerWaalsContact O-N 3.09Å; T962-Q965 PolarHBondContact O-N 3.31Å; V963-Q965 VanDerWaalsContact C-N 3.34Å; V963-Q965 PolarHBondContact O-N 3.16Å; Q965-L967 VanDerWaalsContact C-N 3.29Å; Q965-L967 PolarHBondContact O-N 3.45Å; Q965-V968 PolarHBondContact O-N 3.19Å; Q965-V969 PolarHBondContact O-N 3.02Å; Q965-A996 HydrophobicContact CG-CB 3.87Å
966R87Confident84.1Confident93 Ų9355.5 Ų55.535%0.35127%0.269SS..Hα-helixtrans-64-34175.7-71.4179.575.1-168.50.8112.4I933 D934 T962 V963 L964 V969 K970I933-R966 HydrophobicContact CG2-CB 4.39Å; D934-R966 IonicContact OD1-CZ 2.97Å; D934-R966 IonicContact OD1-NH2 3.74Å; D934-R966 PolarHBondContact OD1-NH2 2.97Å; D934-R966 IonicContact OD2-CZ 3.77Å; D934-R966 IonicContact OD2-NH1 3.45Å; D934-R966 IonicContact OD2-NH2 3.55Å; D934-R966 PolarHBondContact OD2-NH2 3.16Å; T962-R966 WeakPolarHBondContact O-CG 3.4Å; T962-R966 PolarHBondContact O-N 3.33Å; V963-R966 WeakPolarHBondContact O-CB 3.49Å; V963-R966 PolarHBondContact O-N 3.45Å; V963-R966 VanDerWaalsContact O-N 3.11Å; L964-R966 PolarHBondContact O-N 3.34Å; R966-V969 PolarHBondContact O-N 3.2Å; R966-K970 PolarHBondContact O-N 3.48Å
967L86.7Confident83.6Confident0 Ų061.7 Ų61.70%030%0.298CS..Hα-helixtrans-68.7-35.1176.6-73.2176.8000112.4L938 L942 M943 V963 L964 Q965 V969 K970 E971 V972 F982L938-L967 HydrophobicContact CD1-CD2 4.46Å; L938-L967 HydrophobicContact CD2-CD2 3.82Å; L942-L967 HydrophobicContact CD2-CD1 4.5Å; L942-L967 HydrophobicContact CD2-CD2 3.94Å; M943-L967 HydrophobicContact SD-CD1 3.66Å; V963-L967 HydrophobicContact CG1-CD1 3.99Å; V963-L967 HydrophobicContact CG1-CG 4.31Å; V963-L967 WeakPolarHBondContact O-CG 3.3Å; V963-L967 PolarHBondContact O-N 3.09Å; L964-L967 HydrophobicContact CD2-CD1 4.36Å; L964-L967 PolarHBondContact O-N 2.82Å; Q965-L967 VanDerWaalsContact C-N 3.29Å; Q965-L967 PolarHBondContact O-N 3.45Å; L967-V969 VanDerWaalsContact C-N 3.34Å; L967-V969 PolarHBondContact O-N 3.23Å; L967-K970 CarbonylContact O-C 3.59Å; L967-K970 PolarHBondContact O-N 3.41Å; L967-K970 VanDerWaalsContact O-N 3.13Å; L967-E971 PolarHBondContact O-N 3.45Å; L967-V972 HydrophobicContact CB-CG1 3.78Å; L967-V972 HydrophobicContact CB-CG2 4.5Å; L967-V972 HydrophobicContact CD2-CG1 3.84Å; L967-V972 HydrophobicContact CG-CG1 4.29Å; L967-V972 WeakPolarHBondContact O-CG1 3.45Å; L967-V972 PolarHBondContact O-N 2.91Å; L967-F982 HydrophobicContact CB-CD2 4.28Å; L967-F982 HydrophobicContact CB-CE2 3.94Å; L967-F982 HydrophobicContact CD1-CD2 4.19Å; L967-F982 HydrophobicContact CD1-CE2 4.4Å
968V84.6Confident83.4Confident8 Ų859.4 Ų59.45%0.04829%0.287CS..Hα-helixtrans-60.3-45171.6173.40000110.8L964 Q965 K970 E971 W973 F982 A996 Q999 V1000L964-V968 WeakPolarHBondContact O-CG2 3.27Å; L964-V968 PolarHBondContact O-N 2.88Å; Q965-V968 PolarHBondContact O-N 3.19Å; V968-K970 PolarHBondContact O-N 3.17Å; V968-E971 PolarHBondContact O-N 3.02Å; V968-W973 HydrophobicContact CG1-CH2 4.29Å; V968-W973 HydrophobicContact CG1-CZ3 4.05Å; V968-W973 WeakPolarHBondContact O-CH2 3.32Å; V968-F982 HydrophobicContact CG2-CE1 4.45Å; V968-F982 HydrophobicContact CG2-CE2 4.44Å; V968-F982 HydrophobicContact CG2-CZ 3.69Å; V968-A996 HydrophobicContact CG2-CB 4.49Å; V968-Q999 HydrophobicContact CG1-CB 3.92Å; V968-V1000 HydrophobicContact CG1-CG2 4.08Å; V968-V1000 HydrophobicContact CG2-CG2 3.83Å
969V86.1Confident83.5Confident116 Ų11658 Ų5870%0.70327%0.269SS*.Hα-helixtrans-62.3-28.9176.51790000112.1Q965 R966 L967 E971Q965-V969 PolarHBondContact O-N 3.02Å; R966-V969 PolarHBondContact O-N 3.2Å; L967-V969 VanDerWaalsContact C-N 3.34Å; L967-V969 PolarHBondContact O-N 3.23Å; V969-E971 VanDerWaalsContact C-N 3.28Å
970K84.3Confident83.4Confident69 Ų6960.4 Ų60.430%0.328%0.281SS..THydrogen-bonded Turntrans-85.76.5175.3-68.7-169.1179.3-174.80114I933 D934 L938 R966 L967 V968 V972I933-K970 PolarHBondContact O-NZ 3.09Å; D934-K970 IonicContact OD1-NZ 3.74Å; D934-K970 PolarHBondContact OD1-NZ 3.34Å; L938-K970 HydrophobicContact CD1-CB 4.09Å; L938-K970 HydrophobicContact CD1-CD 4.22Å; R966-K970 PolarHBondContact O-N 3.48Å; L967-K970 CarbonylContact O-C 3.59Å; L967-K970 PolarHBondContact O-N 3.41Å; L967-K970 VanDerWaalsContact O-N 3.13Å; V968-K970 PolarHBondContact O-N 3.17Å; K970-V972 PolarHBondContact O-N 3.45Å
971E85.5Confident83.2Confident84 Ų8462.4 Ų62.439%0.39330%0.296SS..THydrogen-bonded Turntrans55.550.6173.9-52.2-178.7131.300113.1L967 V968 V969 W973 K974L967-E971 PolarHBondContact O-N 3.45Å; V968-E971 PolarHBondContact O-N 3.02Å; V969-E971 VanDerWaalsContact C-N 3.28Å; E971-W973 HydrophobicContact CB-CD2 4.42Å; E971-W973 HydrophobicContact CB-CH2 4.23Å; E971-W973 HydrophobicContact CB-CZ2 3.7Å; E971-W973 HydrophobicContact CG-CH2 4.12Å; E971-W973 HydrophobicContact CG-CZ2 3.64Å; E971-W973 PolarHBondContact O-N 3.4Å; E971-K974 HydrophobicContact CB-CD 4.24Å; E971-K974 HydrophobicContact CB-CG 4.32Å; E971-K974 WeakPolarHBondContact O-CB 3.37Å; E971-K974 WeakPolarHBondContact O-CG 3.37Å; E971-K974 PolarHBondContact O-N 2.98Å; E971-K974 WeakPolarHBondContact OE2-CE 3.17Å; E971-K974 IonicContact OE2-NZ 3.84Å; E971-K974 PolarHBondContact OE2-NZ 3.47Å
972V83.8Confident83.4Confident6 Ų659.8 Ų59.84%0.03628%0.283CS..G310 helixtrans-53.8-23.5-177.6-770000114.9L938 L967 K970 K974 R975 I978 W979 F982L938-V972 HydrophobicContact CD1-CG1 4.38Å; L967-V972 HydrophobicContact CB-CG1 3.78Å; L967-V972 HydrophobicContact CB-CG2 4.5Å; L967-V972 HydrophobicContact CD2-CG1 3.84Å; L967-V972 HydrophobicContact CG-CG1 4.29Å; L967-V972 WeakPolarHBondContact O-CG1 3.45Å; L967-V972 PolarHBondContact O-N 2.91Å; K970-V972 PolarHBondContact O-N 3.45Å; V972-K974 PolarHBondContact O-N 2.95Å; V972-R975 PolarHBondContact O-N 3.17Å; V972-I978 HydrophobicContact CB-CG2 4.27Å; V972-I978 HydrophobicContact CG1-CG2 4.17Å; V972-W979 HydrophobicContact CG2-CE3 4.12Å; V972-W979 HydrophobicContact CG2-CZ3 4.31Å; V972-F982 HydrophobicContact CG2-CB 4.45Å; V972-F982 HydrophobicContact CG2-CD1 4.25Å; V972-F982 HydrophobicContact CG2-CD2 3.97Å; V972-F982 HydrophobicContact CG2-CE2 4.26Å; V972-F982 HydrophobicContact CG2-CG 3.96Å
973W83.9Confident83.3Confident43 Ų4356.5 Ų56.516%0.16326%0.263CS..G310 helixtrans-63.8-14.5175.65484.5000114.4V968 E971 R975 W979 V1000 P1001 Q1004V968-W973 HydrophobicContact CG1-CH2 4.29Å; V968-W973 HydrophobicContact CG1-CZ3 4.05Å; V968-W973 WeakPolarHBondContact O-CH2 3.32Å; E971-W973 HydrophobicContact CB-CD2 4.42Å; E971-W973 HydrophobicContact CB-CH2 4.23Å; E971-W973 HydrophobicContact CB-CZ2 3.7Å; E971-W973 HydrophobicContact CG-CH2 4.12Å; E971-W973 HydrophobicContact CG-CZ2 3.64Å; E971-W973 PolarHBondContact O-N 3.4Å; W973-R975 PolarHBondContact O-N 2.98Å; W973-W979 HydrophobicContact CB-CD2 3.86Å; W973-W979 HydrophobicContact CB-CE3 3.77Å; W973-W979 HydrophobicContact CB-CG 4.29Å; W973-W979 HydrophobicContact CB-CZ3 4.25Å; W973-W979 HydrophobicContact CE3-CZ3 4.18Å; W973-V1000 HydrophobicContact CE3-CG1 4.07Å; W973-V1000 HydrophobicContact CZ3-CB 4.5Å; W973-V1000 HydrophobicContact CZ3-CG1 4.09Å; W973-V1000 HydrophobicContact CZ3-CG2 4.22Å; W973-P1001 VanDerWaalsContact CH2-CD 3.42Å; W973-P1001 HydrophobicContact CH2-CG 4.02Å; W973-P1001 HydrophobicContact CZ2-CG 3.69Å; W973-Q1004 HydrophobicContact CB-CB 4.39Å; W973-Q1004 HydrophobicContact CB-CG 3.91Å; W973-Q1004 HydrophobicContact CD2-CB 4.48Å; W973-Q1004 HydrophobicContact CD2-CG 3.94Å; W973-Q1004 HydrophobicContact CG-CB 4.34Å; W973-Q1004 HydrophobicContact CG-CG 3.57Å
974K83.1Confident83.1Confident150 Ų15061 Ų6165%0.65228%0.283SS*.G310 helixtrans-65.7-17.1172.8-69.8-175.4179.3175.40113.5E971 V972E971-K974 HydrophobicContact CB-CD 4.24Å; E971-K974 HydrophobicContact CB-CG 4.32Å; E971-K974 WeakPolarHBondContact O-CB 3.37Å; E971-K974 WeakPolarHBondContact O-CG 3.37Å; E971-K974 PolarHBondContact O-N 2.98Å; E971-K974 WeakPolarHBondContact OE2-CE 3.17Å; E971-K974 IonicContact OE2-NZ 3.84Å; E971-K974 PolarHBondContact OE2-NZ 3.47Å; V972-K974 PolarHBondContact O-N 2.95Å
975R80.5Confident82.9Confident115 Ų11561.1 Ų61.143%0.43428%0.283SS..SBendtrans-121.8106.2177.7-70.5-177.4172.3-160.7-8.6109.5L938 V972 W973 Q977 I978 W979L938-R975 PolarHBondContact O-NH1 3.24Å; V972-R975 PolarHBondContact O-N 3.17Å; W973-R975 PolarHBondContact O-N 2.98Å; R975-Q977 VanDerWaalsContact C-N 3.31Å; R975-Q977 PolarHBondContact O-N 2.97Å; R975-I978 HydrophobicContact CB-CB 4.35Å; R975-I978 HydrophobicContact CB-CD1 4.17Å; R975-I978 HydrophobicContact CB-CG1 4.23Å; R975-I978 PolarHBondContact O-N 3.15Å; R975-W979 PolarHBondContact O-N 3.36Å
976E77.5Confident82.8Confident165 Ų16558.2 Ų58.277%0.77127%0.269SS*.Hα-helixtrans-53.6-43.7-175.1-168.6170.3-166.100113.2I978 W979 E980E976-I978 VanDerWaalsContact C-N 3.3Å; E976-I978 PolarHBondContact O-N 2.71Å; E976-W979 PolarHBondContact O-N 3.43Å; E976-W979 VanDerWaalsContact O-N 3.17Å; E976-E980 PolarHBondContact O-N 2.86Å
977Q75.4Confident82.4Confident132 Ų13254.7 Ų54.762%0.61726%0.257SS*.Hα-helixtrans-58.1-37.2178.2-66.1177.2-19.700113.7I940 R975 S981I940-Q977 HydrophobicContact CG2-CB 4.31Å; R975-Q977 VanDerWaalsContact C-N 3.31Å; R975-Q977 PolarHBondContact O-N 2.97Å; Q977-S981 PolarHBondContact O-OG 3.38Å; Q977-S981 VanDerWaalsContact O-OG 3.08Å
978I80.6Confident82Confident4 Ų462.6 Ų62.62%0.02129%0.288CS..Hα-helixtrans-83-35.7179.9-57.5179.3000109.8L938 M943 V972 R975 E976 S981 F982L938-I978 HydrophobicContact CB-CD1 4.23Å; M943-I978 HydrophobicContact CG-CG2 3.91Å; V972-I978 HydrophobicContact CB-CG2 4.27Å; V972-I978 HydrophobicContact CG1-CG2 4.17Å; R975-I978 HydrophobicContact CB-CB 4.35Å; R975-I978 HydrophobicContact CB-CD1 4.17Å; R975-I978 HydrophobicContact CB-CG1 4.23Å; R975-I978 PolarHBondContact O-N 3.15Å; E976-I978 VanDerWaalsContact C-N 3.3Å; E976-I978 PolarHBondContact O-N 2.71Å; I978-S981 PolarHBondContact O-N 2.94Å; I978-F982 VanDerWaalsContact O-CB 3.3Å; I978-F982 WeakPolarHBondContact O-CB 3.31Å; I978-F982 PolarHBondContact O-N 2.91Å
979W85.8Confident81.6Confident9 Ų962.3 Ų62.33%0.03429%0.286CS..Hα-helixtrans-60.9-48.9-177.8179.2-120000112.9V972 W973 R975 E976 S981 F982 V983 V1000 Q1004 S1007 A1008V972-W979 HydrophobicContact CG2-CE3 4.12Å; V972-W979 HydrophobicContact CG2-CZ3 4.31Å; W973-W979 HydrophobicContact CB-CD2 3.86Å; W973-W979 HydrophobicContact CB-CE3 3.77Å; W973-W979 HydrophobicContact CB-CG 4.29Å; W973-W979 HydrophobicContact CB-CZ3 4.25Å; W973-W979 HydrophobicContact CE3-CZ3 4.18Å; R975-W979 PolarHBondContact O-N 3.36Å; E976-W979 PolarHBondContact O-N 3.43Å; E976-W979 VanDerWaalsContact O-N 3.17Å; W979-S981 VanDerWaalsContact C-N 3.29Å; W979-S981 PolarHBondContact O-N 3.34Å; W979-F982 HydrophobicContact CE3-CB 4.48Å; W979-F982 AromaticContact CE3-CD1 3.85Å; W979-F982 HydrophobicContact CE3-CD1 3.85Å; W979-F982 HydrophobicContact CE3-CG 4.46Å; W979-F982 HydrophobicContact CH2-CD1 4.24Å; W979-F982 HydrophobicContact CH2-CE1 4.39Å; W979-F982 AromaticContact CZ3-CD1 3.44Å; W979-F982 HydrophobicContact CZ3-CD1 3.44Å; W979-F982 VanDerWaalsContact CZ3-CD1 3.44Å; W979-F982 AromaticContact CZ3-CE1 3.75Å; W979-F982 HydrophobicContact CZ3-CE1 3.75Å; W979-F982 HydrophobicContact CZ3-CG 4.41Å; W979-F982 WeakPolarHBondContact O-CB 3.21Å; W979-F982 PolarHBondContact O-N 3.28Å; W979-F982 VanDerWaalsContact O-N 3.14Å; W979-V983 HydrophobicContact CD2-CG2 4.15Å; W979-V983 HydrophobicContact CE3-CG2 4.44Å; W979-V983 HydrophobicContact CH2-CG2 3.99Å; W979-V983 HydrophobicContact CZ2-CG2 3.68Å; W979-V983 HydrophobicContact CZ3-CG2 4.37Å; W979-V983 WeakPolarHBondContact O-CG2 3.49Å; W979-V983 PolarHBondContact O-N 3.05Å; W979-V1000 HydrophobicContact CH2-CG1 3.85Å; W979-V1000 HydrophobicContact CH2-CG2 4.39Å; W979-V1000 HydrophobicContact CZ3-CG1 4.47Å; W979-Q1004 HydrophobicContact CH2-CB 4.34Å; W979-Q1004 HydrophobicContact CZ2-CB 4.15Å; W979-Q1004 VanDerWaalsContact CZ2-O 3.3Å; W979-Q1004 WeakPolarHBondContact CZ2-O 3.31Å; W979-S1007 PolarHBondContact NE1-OG 2.82Å; W979-S1007 VanDerWaalsContact NE1-OG 3.09Å; W979-A1008 HydrophobicContact CH2-CB 4.41Å; W979-A1008 HydrophobicContact CZ2-CB 3.84Å
980E82Confident81.1Confident88 Ų8860 Ų6041%0.41127%0.266SS..Hα-helixtrans-60-44.4178.6-165.4-168.8158.600111.1E976 F982 V983 K984 I1011E976-E980 PolarHBondContact O-N 2.86Å; E980-F982 VanDerWaalsContact C-N 3.33Å; E980-F982 PolarHBondContact O-N 2.93Å; E980-V983 PolarHBondContact O-N 2.93Å; E980-K984 WeakPolarHBondContact O-CG 3.45Å; E980-K984 PolarHBondContact O-N 2.75Å; E980-K984 VanDerWaalsContact O-N 3.09Å; E980-K984 VanDerWaalsContact OE1-CE 3.27Å; E980-K984 WeakPolarHBondContact OE1-CE 3.34Å; E980-K984 IonicContact OE1-NZ 3.69Å; E980-K984 PolarHBondContact OE1-NZ 3.48Å; E980-I1011 HydrophobicContact CG-CD1 4.47Å; E980-I1011 HydrophobicContact CG-CG2 4.02Å
981S78.1Confident80.7Confident43 Ų4360.9 Ų60.930%0.30128%0.279SS..Hα-helixtrans-64.3-36.4176.4-54.70000112.3M943 Q977 I978 W979 C985M943-S981 VanDerWaalsContact CB-CB 3.47Å; Q977-S981 PolarHBondContact O-OG 3.38Å; Q977-S981 VanDerWaalsContact O-OG 3.08Å; I978-S981 PolarHBondContact O-N 2.94Å; W979-S981 VanDerWaalsContact C-N 3.29Å; W979-S981 PolarHBondContact O-N 3.34Å; S981-C985 VanDerWaalsContact O-CB 3.25Å; S981-C985 WeakPolarHBondContact O-CB 3.4Å; S981-C985 PolarHBondContact O-N 3.15Å
982F85.1Confident80.2Confident0 Ų060 Ų600%028%0.275CS..Hα-helixtrans-63.5-45.7175.4175.3-91.1000112.1M943 L964 L967 V968 V972 I978 W979 E980 C985 C986 L997M943-F982 HydrophobicContact CE-CB 4.29Å; M943-F982 HydrophobicContact CE-CD2 4.32Å; M943-F982 HydrophobicContact CG-CB 4.49Å; M943-F982 HydrophobicContact SD-CB 4.16Å; M943-F982 HydrophobicContact SD-CD2 4.12Å; L964-F982 HydrophobicContact CB-CE2 4.09Å; L964-F982 HydrophobicContact CD2-CD2 3.66Å; L964-F982 HydrophobicContact CD2-CE2 3.44Å; L964-F982 VanDerWaalsContact CD2-CE2 3.44Å; L964-F982 HydrophobicContact CD2-CZ 4.34Å; L964-F982 HydrophobicContact CG-CE2 4.36Å; L967-F982 HydrophobicContact CB-CD2 4.28Å; L967-F982 HydrophobicContact CB-CE2 3.94Å; L967-F982 HydrophobicContact CD1-CD2 4.19Å; L967-F982 HydrophobicContact CD1-CE2 4.4Å; V968-F982 HydrophobicContact CG2-CE1 4.45Å; V968-F982 HydrophobicContact CG2-CE2 4.44Å; V968-F982 HydrophobicContact CG2-CZ 3.69Å; V972-F982 HydrophobicContact CG2-CB 4.45Å; V972-F982 HydrophobicContact CG2-CD1 4.25Å; V972-F982 HydrophobicContact CG2-CD2 3.97Å; V972-F982 HydrophobicContact CG2-CE2 4.26Å; V972-F982 HydrophobicContact CG2-CG 3.96Å; I978-F982 VanDerWaalsContact O-CB 3.3Å; I978-F982 WeakPolarHBondContact O-CB 3.31Å; I978-F982 PolarHBondContact O-N 2.91Å; W979-F982 HydrophobicContact CE3-CB 4.48Å; W979-F982 AromaticContact CE3-CD1 3.85Å; W979-F982 HydrophobicContact CE3-CD1 3.85Å; W979-F982 HydrophobicContact CE3-CG 4.46Å; W979-F982 HydrophobicContact CH2-CD1 4.24Å; W979-F982 HydrophobicContact CH2-CE1 4.39Å; W979-F982 AromaticContact CZ3-CD1 3.44Å; W979-F982 HydrophobicContact CZ3-CD1 3.44Å; W979-F982 VanDerWaalsContact CZ3-CD1 3.44Å; W979-F982 AromaticContact CZ3-CE1 3.75Å; W979-F982 HydrophobicContact CZ3-CE1 3.75Å; W979-F982 HydrophobicContact CZ3-CG 4.41Å; W979-F982 WeakPolarHBondContact O-CB 3.21Å; W979-F982 PolarHBondContact O-N 3.28Å; W979-F982 VanDerWaalsContact O-N 3.14Å; E980-F982 VanDerWaalsContact C-N 3.33Å; E980-F982 PolarHBondContact O-N 2.93Å; F982-C985 PolarHBondContact O-N 3.44Å; F982-C986 VanDerWaalsContact CZ-SG 3.58Å; F982-C986 PolarHBondContact O-N 3.38Å; F982-C986 PolarHBondContact O-SG 3.11Å; F982-L997 HydrophobicContact CE1-CD2 3.95Å
983V83.4Confident79.8Confident0 Ų059.8 Ų59.80%027%0.273CS..Hα-helixtrans-63.3-47.1178175.90000110.5W979 E980 C985 C986 L987 A1008 I1011 C1012W979-V983 HydrophobicContact CD2-CG2 4.15Å; W979-V983 HydrophobicContact CE3-CG2 4.44Å; W979-V983 HydrophobicContact CH2-CG2 3.99Å; W979-V983 HydrophobicContact CZ2-CG2 3.68Å; W979-V983 HydrophobicContact CZ3-CG2 4.37Å; W979-V983 WeakPolarHBondContact O-CG2 3.49Å; W979-V983 PolarHBondContact O-N 3.05Å; E980-V983 PolarHBondContact O-N 2.93Å; V983-C985 VanDerWaalsContact C-N 3.35Å; V983-C985 PolarHBondContact O-N 2.97Å; V983-C986 PolarHBondContact O-N 3.39Å; V983-L987 HydrophobicContact CG1-CD1 4.2Å; V983-L987 WeakPolarHBondContact O-CG 3.47Å; V983-L987 PolarHBondContact O-N 3.24Å; V983-L987 VanDerWaalsContact O-N 3.15Å; V983-A1008 HydrophobicContact CG1-CB 3.97Å; V983-A1008 HydrophobicContact CG2-CB 3.65Å; V983-I1011 HydrophobicContact CB-CG2 4.5Å; V983-I1011 HydrophobicContact CG1-CB 4.41Å; V983-I1011 HydrophobicContact CG1-CG2 4.23Å; V983-I1011 HydrophobicContact CG2-CD1 4.34Å; V983-C1012 HydrophobicContact CG1-CB 4.42Å
984K80.8Confident79.6Confident96 Ų9658 Ų5842%0.41727%0.267SS..Hα-helixtrans-58.8-44.5176.3-70.8176.6-175.1171.50112E980 L987 R988E980-K984 WeakPolarHBondContact O-CG 3.45Å; E980-K984 PolarHBondContact O-N 2.75Å; E980-K984 VanDerWaalsContact O-N 3.09Å; E980-K984 VanDerWaalsContact OE1-CE 3.27Å; E980-K984 WeakPolarHBondContact OE1-CE 3.34Å; E980-K984 IonicContact OE1-NZ 3.69Å; E980-K984 PolarHBondContact OE1-NZ 3.48Å; K984-L987 PolarHBondContact O-N 2.94Å; K984-R988 PolarHBondContact O-N 3.08Å
985C82.4Confident79.5Confident1 Ų152.8 Ų52.81%0.00725%0.249CC..Hα-helixtrans-63.1-44.5177.2-175.40000112.5M943 S981 F982 V983 L987 R988 T989M943-C985 HydrophobicContact CE-CB 3.16Å; M943-C985 WeakPolarHBondContact CE-SG 3.34Å; S981-C985 VanDerWaalsContact O-CB 3.25Å; S981-C985 WeakPolarHBondContact O-CB 3.4Å; S981-C985 PolarHBondContact O-N 3.15Å; F982-C985 PolarHBondContact O-N 3.44Å; V983-C985 VanDerWaalsContact C-N 3.35Å; V983-C985 PolarHBondContact O-N 2.97Å; C985-L987 PolarHBondContact O-N 2.98Å; C985-R988 PolarHBondContact O-N 3.03Å; C985-T989 WeakPolarHBondContact O-CG2 3.17Å; C985-T989 PolarHBondContact O-N 3.32Å; C985-T989 VanDerWaalsContact O-N 3.16Å; C985-T989 PolarHBondContact O-OG1 2.88Å
986C81.6Confident79.4Confident0 Ų047.3 Ų47.30%023%0.228CC..Hα-helixtrans-60.6-31.3176.7-700000112.6F982 V983 T989 C993 L997F982-C986 VanDerWaalsContact CZ-SG 3.58Å; F982-C986 PolarHBondContact O-N 3.38Å; F982-C986 PolarHBondContact O-SG 3.11Å; V983-C986 PolarHBondContact O-N 3.39Å; C986-T989 WeakPolarHBondContact CA-OG1 3.43Å; C986-T989 PolarHBondContact O-OG1 3.46Å; C986-C993 HydrophobicContact CB-CB 4.19Å; C986-L997 HydrophobicContact CB-CD1 3.74Å; C986-L997 HydrophobicContact CB-CD2 4.06Å; C986-L997 HydrophobicContact CB-CG 3.92Å
987L80.1Confident79.6Confident19 Ų1939.6 Ų39.610%0.09919%0.192CC..Hα-helixtrans-79-33.8177.7-68.9169.7000112.7V983 K984 C985 T989 K990 C1012 L1015 L1018V983-L987 HydrophobicContact CG1-CD1 4.2Å; V983-L987 WeakPolarHBondContact O-CG 3.47Å; V983-L987 PolarHBondContact O-N 3.24Å; V983-L987 VanDerWaalsContact O-N 3.15Å; K984-L987 PolarHBondContact O-N 2.94Å; C985-L987 PolarHBondContact O-N 2.98Å; L987-T989 PolarHBondContact O-N 3.27Å; L987-K990 VanDerWaalsContact CA-CE 3.49Å; L987-K990 WeakPolarHBondContact O-CD 3.46Å; L987-K990 WeakPolarHBondContact O-CE 3.32Å; L987-K990 WeakPolarHBondContact O-CG 3.35Å; L987-C1012 HydrophobicContact CD1-CB 3.2Å; L987-C1012 WeakPolarHBondContact CD1-SG 3.46Å; L987-L1015 HydrophobicContact CD2-CB 4.23Å; L987-L1015 HydrophobicContact CD2-CD1 3.8Å; L987-L1018 HydrophobicContact CD2-CD1 4.18Å
988R76.9Confident80Confident167 Ų16733.9 Ų33.963%0.6317%0.166SC*.Hα-helixtrans-68.6-22.2172.3-77.6-170167.5-161.8-8.3113E947 K984 C985E947-R988 WeakPolarHBondContact OE1-CD 3.04Å; E947-R988 IonicContact OE1-CZ 3.57Å; E947-R988 IonicContact OE1-NE 3.1Å; E947-R988 PolarHBondContact OE1-NE 3.24Å; E947-R988 IonicContact OE1-NH1 3.24Å; E947-R988 PolarHBondContact OE1-NH1 3.16Å; K984-R988 PolarHBondContact O-N 3.08Å; C985-R988 PolarHBondContact O-N 3.03Å
989T75.7Confident80.1Confident2 Ų238.8 Ų38.81%0.01219%0.188CC..THydrogen-bonded Turntrans-103.122.2-176.848.60000113.7I950 V960 C985 C986 L987 Q992 C993I950-T989 HydrophobicContact CD1-CG2 3.19Å; I950-T989 HydrophobicContact CG1-CG2 4.43Å; V960-T989 HydrophobicContact CG1-CG2 4.4Å; C985-T989 WeakPolarHBondContact O-CG2 3.17Å; C985-T989 PolarHBondContact O-N 3.32Å; C985-T989 VanDerWaalsContact O-N 3.16Å; C985-T989 PolarHBondContact O-OG1 2.88Å; C986-T989 WeakPolarHBondContact CA-OG1 3.43Å; C986-T989 PolarHBondContact O-OG1 3.46Å; L987-T989 PolarHBondContact O-N 3.27Å; T989-Q992 PolarHBondContact O-N 3.24Å; T989-Q992 VanDerWaalsContact O-N 3.16Å; T989-C993 WeakPolarHBondContact CB-SG 3.32Å; T989-C993 WeakPolarHBondContact OG1-CB 3.49Å; T989-C993 PolarHBondContact OG1-SG 3.45Å
990K77.3Confident80Confident68 Ų6838.5 Ų38.530%0.29619%0.188SC..THydrogen-bonded Turntrans-58.3144.3171.7-68160.8-161.81760110.2L987 E1014 L1018L987-K990 VanDerWaalsContact CA-CE 3.49Å; L987-K990 WeakPolarHBondContact O-CD 3.46Å; L987-K990 WeakPolarHBondContact O-CE 3.32Å; L987-K990 WeakPolarHBondContact O-CG 3.35Å; K990-E1014 IonicContact NZ-OE2 2.63Å; K990-L1018 HydrophobicContact CD-CD1 3.57Å; K990-L1018 HydrophobicContact CD-CD2 4.35Å; K990-L1018 HydrophobicContact CG-CD1 4.44Å
991P74.4Confident80Confident87 Ų8736.7 Ų36.757%0.56518%0.183SC*.THydrogen-bonded Turncis-91-1.7-1.135-34.7000114.3C993 L994P991-C993 VanDerWaalsContact C-N 3.28Å; P991-C993 PolarHBondContact O-N 2.98Å; P991-L994 HydrophobicContact CB-CD1 4.38Å; P991-L994 PolarHBondContact O-N 3.44Å
992Q74.9Confident80.1Confident66 Ų6635.3 Ų35.331%0.30817%0.174SC..THydrogen-bonded Turntrans-68.4-23.9-166.2-63.3174.818.600113.6M957 Q961 T989 P995M957-Q992 VanDerWaalsContact SD-CD 3.53Å; M957-Q992 PolarHBondContact SD-NE2 3.29Å; Q961-Q992 VanDerWaalsContact CD-O 3.3Å; Q961-Q992 WeakPolarHBondContact CG-O 3.2Å; Q961-Q992 PolarHBondContact NE2-O 3.08Å; T989-Q992 PolarHBondContact O-N 3.24Å; T989-Q992 VanDerWaalsContact O-N 3.16Å; Q992-P995 VanDerWaalsContact O-CD 3.29Å; Q992-P995 WeakPolarHBondContact O-CD 3.45Å
993C76.1Confident80Confident0 Ų042.1 Ų42.10%021%0.206CC..THydrogen-bonded Turntrans-95.7-6.9-172.7-61.50000114.6L964 C986 T989 P991 P995 A996 L997L964-C993 HydrophobicContact CD1-CB 3.84Å; L964-C993 WeakPolarHBondContact CD1-SG 3.35Å; C986-C993 HydrophobicContact CB-CB 4.19Å; T989-C993 WeakPolarHBondContact CB-SG 3.32Å; T989-C993 WeakPolarHBondContact OG1-CB 3.49Å; T989-C993 PolarHBondContact OG1-SG 3.45Å; P991-C993 VanDerWaalsContact C-N 3.28Å; P991-C993 PolarHBondContact O-N 2.98Å; C993-P995 VanDerWaalsContact C-CD 3.45Å; C993-P995 VanDerWaalsContact C-N 3.35Å; C993-A996 WeakPolarHBondContact O-CB 3.34Å; C993-A996 PolarHBondContact O-N 3.38Å; C993-L997 PolarHBondContact O-N 3Å
994L80.5Confident80Confident7 Ų744.2 Ų44.24%0.03722%0.216CC..Hα-helixtrans-57-38.6175.8-59.2174.6000113.3P991 A996 L997 L998 L1015 L1018 L1019 H1022P991-L994 HydrophobicContact CB-CD1 4.38Å; P991-L994 PolarHBondContact O-N 3.44Å; L994-A996 VanDerWaalsContact C-N 3.32Å; L994-A996 PolarHBondContact O-N 2.88Å; L994-L997 PolarHBondContact O-N 2.91Å; L994-L998 WeakPolarHBondContact O-CG 3.39Å; L994-L998 PolarHBondContact O-N 3.49Å; L994-L998 VanDerWaalsContact O-N 3.1Å; L994-L1015 HydrophobicContact CD2-CD1 4.47Å; L994-L1018 HydrophobicContact CD2-CB 4.34Å; L994-L1019 HydrophobicContact CB-CD2 4.3Å; L994-L1019 HydrophobicContact CD2-CD2 4Å; L994-H1022 HydrophobicContact CB-CB 4.25Å; L994-H1022 HydrophobicContact CD1-CB 3.56Å; L994-H1022 HydrophobicContact CG-CB 4.5Å
995P80Confident80Confident40 Ų4039.8 Ų39.826%0.2620%0.197SC..Hα-helixtrans-61-35.1172.5-23.634.1000114Q992 C993 L998 Q999Q992-P995 VanDerWaalsContact O-CD 3.29Å; Q992-P995 WeakPolarHBondContact O-CD 3.45Å; C993-P995 VanDerWaalsContact C-CD 3.45Å; C993-P995 VanDerWaalsContact C-N 3.35Å; P995-L998 PolarHBondContact O-N 3.18Å; P995-Q999 WeakPolarHBondContact O-CG 3.43Å
996A79.8Confident79.9Confident0 Ų040.9 Ų40.90%021%0.205CC..Hα-helixtrans-69.1-41.1177.800000110.7L964 Q965 V968 C993 L994 L998 Q999L964-A996 HydrophobicContact CB-CB 4.26Å; Q965-A996 HydrophobicContact CG-CB 3.87Å; V968-A996 HydrophobicContact CG2-CB 4.49Å; C993-A996 WeakPolarHBondContact O-CB 3.34Å; C993-A996 PolarHBondContact O-N 3.38Å; L994-A996 VanDerWaalsContact C-N 3.32Å; L994-A996 PolarHBondContact O-N 2.88Å; A996-L998 VanDerWaalsContact C-N 3.31Å; A996-L998 PolarHBondContact O-N 3.3Å; A996-Q999 WeakPolarHBondContact O-CB 3.37Å; A996-Q999 PolarHBondContact O-N 3.49Å; A996-Q999 VanDerWaalsContact O-N 3.16Å
997L81.5Confident80Confident2 Ų242.6 Ų42.61%0.0122%0.216CC..Hα-helixtrans-63.3-34.4175-72.7174.9000112.8F982 C986 C993 L994 Q999 V1000 L1005 L1015 L1019F982-L997 HydrophobicContact CE1-CD2 3.95Å; C986-L997 HydrophobicContact CB-CD1 3.74Å; C986-L997 HydrophobicContact CB-CD2 4.06Å; C986-L997 HydrophobicContact CB-CG 3.92Å; C993-L997 PolarHBondContact O-N 3Å; L994-L997 PolarHBondContact O-N 2.91Å; L997-Q999 PolarHBondContact O-N 2.97Å; L997-V1000 WeakPolarHBondContact O-CB 3.38Å; L997-V1000 PolarHBondContact O-N 3.32Å; L997-L1005 VanDerWaalsContact O-CD1 3.3Å; L997-L1005 WeakPolarHBondContact O-CD1 3.31Å; L997-L1015 HydrophobicContact CD1-CD1 3.43Å; L997-L1015 VanDerWaalsContact CD1-CD1 3.43Å; L997-L1015 HydrophobicContact CD1-CD2 4.25Å; L997-L1015 HydrophobicContact CD1-CG 4.48Å; L997-L1019 HydrophobicContact CB-CD2 4.36Å
998L82.4Confident80.2Confident13 Ų1341.7 Ų41.77%0.06821%0.212CC..THydrogen-bonded Turntrans-68.4-17.2176.2-71.9172.6000114.1L994 P995 A996 L1019 V1023 L1026 I1034 I1042L994-L998 WeakPolarHBondContact O-CG 3.39Å; L994-L998 PolarHBondContact O-N 3.49Å; L994-L998 VanDerWaalsContact O-N 3.1Å; P995-L998 PolarHBondContact O-N 3.18Å; A996-L998 VanDerWaalsContact C-N 3.31Å; A996-L998 PolarHBondContact O-N 3.3Å; L998-L1019 HydrophobicContact CD2-CD2 3.98Å; L998-L1019 HydrophobicContact CG-CD2 4.01Å; L998-V1023 HydrophobicContact CD1-CG2 3.99Å; L998-V1023 HydrophobicContact CD2-CG2 3.96Å; L998-L1026 HydrophobicContact CD1-CD1 4.01Å; L998-I1034 HydrophobicContact CD1-CD1 3.95Å; L998-I1034 HydrophobicContact CD2-CD1 4.38Å; L998-I1034 HydrophobicContact CD2-CG2 4.23Å; L998-I1042 HydrophobicContact CD2-CD1 3.62Å
999Q82.4Confident80.4Confident107 Ų10734.5 Ų34.550%0.519%0.186SC..THydrogen-bonded Turntrans-84.2-12.5176.2-67.8174.77.300112.9V968 P995 A996 L997V968-Q999 HydrophobicContact CG1-CB 3.92Å; P995-Q999 WeakPolarHBondContact O-CG 3.43Å; A996-Q999 WeakPolarHBondContact O-CB 3.37Å; A996-Q999 PolarHBondContact O-N 3.49Å; A996-Q999 VanDerWaalsContact O-N 3.16Å; L997-Q999 PolarHBondContact O-N 2.97Å
1000V84.4Confident80.7Confident3 Ų340.8 Ų40.82%0.01821%0.213CC..SBendtrans-72.8144.4180176.70000110.2V968 W973 W979 L997 Q1004V968-V1000 HydrophobicContact CG1-CG2 4.08Å; V968-V1000 HydrophobicContact CG2-CG2 3.83Å; W973-V1000 HydrophobicContact CE3-CG1 4.07Å; W973-V1000 HydrophobicContact CZ3-CB 4.5Å; W973-V1000 HydrophobicContact CZ3-CG1 4.09Å; W973-V1000 HydrophobicContact CZ3-CG2 4.22Å; W979-V1000 HydrophobicContact CH2-CG1 3.85Å; W979-V1000 HydrophobicContact CH2-CG2 4.39Å; W979-V1000 HydrophobicContact CZ3-CG1 4.47Å; L997-V1000 WeakPolarHBondContact O-CB 3.38Å; L997-V1000 PolarHBondContact O-N 3.32Å; V1000-Q1004 HydrophobicContact CG1-CB 3.4Å; V1000-Q1004 VanDerWaalsContact CG1-CB 3.4Å; V1000-Q1004 HydrophobicContact CG1-CG 4.46Å
1001P82.9Confident80.9Confident49 Ų4940.2 Ų40.232%0.31821%0.212SC..  trans-55.4149.2174.6-25.834.8000113.3W973 E1003 Q1004 L1005W973-P1001 VanDerWaalsContact CH2-CD 3.42Å; W973-P1001 HydrophobicContact CH2-CG 4.02Å; W973-P1001 HydrophobicContact CZ2-CG 3.69Å; P1001-E1003 VanDerWaalsContact C-N 3.32Å; P1001-E1003 PolarHBondContact O-N 3.19Å; P1001-Q1004 HydrophobicContact CB-CG 4.49Å; P1001-Q1004 PolarHBondContact O-N 3.34Å; P1001-L1005 PolarHBondContact O-N 3.31Å
1002A80Confident81.2Confident14 Ų1437.3 Ų37.312%0.11619%0.194CC..Hα-helixtrans-55.4-41.6-175.300000113.5Q1004 L1005 S1006 N1037 A1038 L1041A1002-Q1004 VanDerWaalsContact C-N 3.31Å; A1002-Q1004 PolarHBondContact O-N 3.36Å; A1002-L1005 WeakPolarHBondContact O-CB 3.4Å; A1002-L1005 PolarHBondContact O-N 3.01Å; A1002-S1006 PolarHBondContact O-N 3.27Å; A1002-N1037 HydrophobicContact CB-CB 3.68Å; A1002-A1038 HydrophobicContact CB-CB 4.49Å; A1002-L1041 HydrophobicContact CB-CD1 3.74Å; A1002-L1041 WeakPolarHBondContact O-CD1 3.4Å
1003E81.7Confident81.4Confident143 Ų14339 Ų3967%0.66821%0.211SC*.Hα-helixtrans-58.4-43.6176.7-66.5177.1-177.800112P1001 S1006 S1007P1001-E1003 VanDerWaalsContact C-N 3.32Å; P1001-E1003 PolarHBondContact O-N 3.19Å; E1003-S1006 WeakPolarHBondContact O-CB 3.42Å; E1003-S1006 PolarHBondContact O-N 3.29Å; E1003-S1006 PolarHBondContact O-OG 3.14Å; E1003-S1007 PolarHBondContact O-N 3.41Å; E1003-S1007 VanDerWaalsContact O-N 3.15Å
1004Q83.5Confident81.7Confident45 Ų4545 Ų4521%0.2124%0.239CC..Hα-helixtrans-76.4-34-179.2-56.7-57.1-27.600111.2W973 W979 V1000 P1001 A1002 S1006 S1007 A1008W973-Q1004 HydrophobicContact CB-CB 4.39Å; W973-Q1004 HydrophobicContact CB-CG 3.91Å; W973-Q1004 HydrophobicContact CD2-CB 4.48Å; W973-Q1004 HydrophobicContact CD2-CG 3.94Å; W973-Q1004 HydrophobicContact CG-CB 4.34Å; W973-Q1004 HydrophobicContact CG-CG 3.57Å; W979-Q1004 HydrophobicContact CH2-CB 4.34Å; W979-Q1004 HydrophobicContact CZ2-CB 4.15Å; W979-Q1004 VanDerWaalsContact CZ2-O 3.3Å; W979-Q1004 WeakPolarHBondContact CZ2-O 3.31Å; V1000-Q1004 HydrophobicContact CG1-CB 3.4Å; V1000-Q1004 VanDerWaalsContact CG1-CB 3.4Å; V1000-Q1004 HydrophobicContact CG1-CG 4.46Å; P1001-Q1004 HydrophobicContact CB-CG 4.49Å; P1001-Q1004 PolarHBondContact O-N 3.34Å; A1002-Q1004 VanDerWaalsContact C-N 3.31Å; A1002-Q1004 PolarHBondContact O-N 3.36Å; Q1004-S1006 PolarHBondContact O-N 3.06Å; Q1004-S1007 WeakPolarHBondContact O-CA 3.45Å; Q1004-S1007 WeakPolarHBondContact O-CB 3.47Å; Q1004-S1007 PolarHBondContact O-N 3.09Å; Q1004-S1007 VanDerWaalsContact O-N 3.09Å; Q1004-A1008 PolarHBondContact O-N 2.82Å
1005L81.7Confident81.7Confident2 Ų244.7 Ų44.71%0.0124%0.237CC..Hα-helixtrans-58.1-38.9169.6-165.3106.3000111.4L997 P1001 A1002 A1008 M1009 L1019 A1038 L1041 I1042L997-L1005 VanDerWaalsContact O-CD1 3.3Å; L997-L1005 WeakPolarHBondContact O-CD1 3.31Å; P1001-L1005 PolarHBondContact O-N 3.31Å; A1002-L1005 WeakPolarHBondContact O-CB 3.4Å; A1002-L1005 PolarHBondContact O-N 3.01Å; L1005-A1008 PolarHBondContact O-N 3.07Å; L1005-M1009 HydrophobicContact CD2-CE 3.44Å; L1005-M1009 VanDerWaalsContact CD2-CE 3.44Å; L1005-M1009 HydrophobicContact CD2-SD 4.48Å; L1005-M1009 HydrophobicContact CG-CE 4.11Å; L1005-M1009 WeakPolarHBondContact O-CG 3.38Å; L1005-M1009 PolarHBondContact O-N 3.31Å; L1005-L1019 HydrophobicContact CD1-CD1 4Å; L1005-L1019 HydrophobicContact CG-CD1 4.42Å; L1005-A1038 HydrophobicContact CD2-CB 4.21Å; L1005-L1041 HydrophobicContact CD2-CB 4.28Å; L1005-L1041 HydrophobicContact CD2-CD1 4.41Å; L1005-I1042 HydrophobicContact CD2-CD1 4.26Å; L1005-I1042 HydrophobicContact CD2-CG1 3.95Å
1006S80.3Confident81.7Confident24 Ų2445.4 Ų45.417%0.16824%0.236CC..Hα-helixtrans-65.6-39.2173.885.50000112.3A1002 E1003 Q1004 M1009 K1010A1002-S1006 PolarHBondContact O-N 3.27Å; E1003-S1006 WeakPolarHBondContact O-CB 3.42Å; E1003-S1006 PolarHBondContact O-N 3.29Å; E1003-S1006 PolarHBondContact O-OG 3.14Å; Q1004-S1006 PolarHBondContact O-N 3.06Å; S1006-M1009 PolarHBondContact O-N 3.21Å; S1006-K1010 PolarHBondContact O-N 3.32Å
1007S83.8Confident81.7Confident36 Ų3649.2 Ų49.225%0.25226%0.259SS..Hα-helixtrans-61.5-45.2173.2174.90000111.5W979 E1003 Q1004 M1009 K1010 I1011W979-S1007 PolarHBondContact NE1-OG 2.82Å; W979-S1007 VanDerWaalsContact NE1-OG 3.09Å; E1003-S1007 PolarHBondContact O-N 3.41Å; E1003-S1007 VanDerWaalsContact O-N 3.15Å; Q1004-S1007 WeakPolarHBondContact O-CA 3.45Å; Q1004-S1007 WeakPolarHBondContact O-CB 3.47Å; Q1004-S1007 PolarHBondContact O-N 3.09Å; Q1004-S1007 VanDerWaalsContact O-N 3.09Å; S1007-M1009 VanDerWaalsContact C-N 3.3Å; S1007-M1009 PolarHBondContact O-N 3.18Å; S1007-K1010 WeakPolarHBondContact O-CB 3.46Å; S1007-K1010 PolarHBondContact O-N 3.17Å; S1007-K1010 VanDerWaalsContact O-N 3.07Å; S1007-I1011 WeakPolarHBondContact O-CG1 3.35Å; S1007-I1011 PolarHBondContact O-N 3.15Å
1008A83.5Confident81.6Confident1 Ų151.1 Ų51.11%0.00827%0.269CS..Hα-helixtrans-60.8-37.6174.800000112.6W979 V983 Q1004 L1005 K1010 I1011 C1012 L1015W979-A1008 HydrophobicContact CH2-CB 4.41Å; W979-A1008 HydrophobicContact CZ2-CB 3.84Å; V983-A1008 HydrophobicContact CG1-CB 3.97Å; V983-A1008 HydrophobicContact CG2-CB 3.65Å; Q1004-A1008 PolarHBondContact O-N 2.82Å; L1005-A1008 PolarHBondContact O-N 3.07Å; A1008-K1010 VanDerWaalsContact C-N 3.33Å; A1008-I1011 PolarHBondContact O-N 3.5Å; A1008-C1012 PolarHBondContact O-N 2.89Å; A1008-L1015 HydrophobicContact CB-CD2 3.52Å
1009M81.7Confident81.5Confident15 Ų1550.5 Ų50.57%0.07427%0.266CS..Hα-helixtrans-68.2-30.1174.6-70.2175.9-178.700112.9L1005 S1006 S1007 C1012 P1013 L1015 K1016 L1019 I1042L1005-M1009 HydrophobicContact CD2-CE 3.44Å; L1005-M1009 VanDerWaalsContact CD2-CE 3.44Å; L1005-M1009 HydrophobicContact CD2-SD 4.48Å; L1005-M1009 HydrophobicContact CG-CE 4.11Å; L1005-M1009 WeakPolarHBondContact O-CG 3.38Å; L1005-M1009 PolarHBondContact O-N 3.31Å; S1006-M1009 PolarHBondContact O-N 3.21Å; S1007-M1009 VanDerWaalsContact C-N 3.3Å; S1007-M1009 PolarHBondContact O-N 3.18Å; M1009-C1012 CarbonylContact O-C 3.59Å; M1009-P1013 WeakPolarHBondContact O-CA 3.49Å; M1009-L1015 HydrophobicContact CG-CD2 4.42Å; M1009-K1016 HydrophobicContact CE-CB 4.26Å; M1009-K1016 HydrophobicContact CE-CG 4.18Å; M1009-K1016 HydrophobicContact CG-CB 4.42Å; M1009-K1016 HydrophobicContact SD-CB 4.23Å; M1009-K1016 HydrophobicContact SD-CD 4.43Å; M1009-K1016 HydrophobicContact SD-CG 4.26Å; M1009-L1019 HydrophobicContact CE-CD1 4.07Å; M1009-I1042 HydrophobicContact CE-CG1 3.77Å
1010K82.5Confident81.4Confident135 Ų13548.6 Ų48.659%0.58726%0.255SS*.Hα-helixtrans-69.7-43.5171.9-73177.3178.6-176.10111.7S1006 S1007 A1008 C1012 M1048S1006-K1010 PolarHBondContact O-N 3.32Å; S1007-K1010 WeakPolarHBondContact O-CB 3.46Å; S1007-K1010 PolarHBondContact O-N 3.17Å; S1007-K1010 VanDerWaalsContact O-N 3.07Å; A1008-K1010 VanDerWaalsContact C-N 3.33Å; K1010-C1012 VanDerWaalsContact C-N 3.33Å; K1010-M1048 HydrophobicContact CD-SD 4.39Å; K1010-M1048 VanDerWaalsContact CE-SD 3.51Å; K1010-M1048 HydrophobicContact CG-CE 3.59Å; K1010-M1048 HydrophobicContact CG-SD 3.94Å
1011I81.1Confident81.3Confident55 Ų5553.6 Ų53.628%0.28228%0.281SS..Hα-helixtrans-65.3-38.5178.9-64.8164.2000110.7E980 V983 S1007 A1008E980-I1011 HydrophobicContact CG-CD1 4.47Å; E980-I1011 HydrophobicContact CG-CG2 4.02Å; V983-I1011 HydrophobicContact CB-CG2 4.5Å; V983-I1011 HydrophobicContact CG1-CB 4.41Å; V983-I1011 HydrophobicContact CG1-CG2 4.23Å; V983-I1011 HydrophobicContact CG2-CD1 4.34Å; S1007-I1011 WeakPolarHBondContact O-CG1 3.35Å; S1007-I1011 PolarHBondContact O-N 3.15Å; A1008-I1011 PolarHBondContact O-N 3.5Å
1012C81Confident81.1Confident27 Ų2753.2 Ų53.218%0.18228%0.275CS..  trans-142.199.2-179.7-750000111.4V983 L987 A1008 M1009 K1010 E1014 L1015V983-C1012 HydrophobicContact CG1-CB 4.42Å; L987-C1012 HydrophobicContact CD1-CB 3.2Å; L987-C1012 WeakPolarHBondContact CD1-SG 3.46Å; A1008-C1012 PolarHBondContact O-N 2.89Å; M1009-C1012 CarbonylContact O-C 3.59Å; K1010-C1012 VanDerWaalsContact C-N 3.33Å; C1012-E1014 VanDerWaalsContact C-N 3.3Å; C1012-E1014 PolarHBondContact O-N 3.2Å; C1012-L1015 WeakPolarHBondContact O-CB 3.28Å; C1012-L1015 PolarHBondContact O-N 3.39Å; C1012-L1015 VanDerWaalsContact O-N 3.07Å
1013P79.5Confident81.1Confident102 Ų10253 Ų5366%0.66227%0.272SS*.THydrogen-bonded Turntrans-65.6-26.8-172.422.2-31.8000114.5M1009 L1015 K1016M1009-P1013 WeakPolarHBondContact O-CA 3.49Å; P1013-L1015 PolarHBondContact O-N 3.44Å; P1013-L1015 VanDerWaalsContact O-N 3.13Å; P1013-K1016 PolarHBondContact O-N 2.78Å
1014E81Confident81Confident126 Ų12649.5 Ų49.559%0.58927%0.268SS*.THydrogen-bonded Turntrans-60.4-20.8173.9-61.5-175.617200113.5K990 C1012 K1016 T1017 L1018K990-E1014 IonicContact NZ-OE2 2.63Å; C1012-E1014 VanDerWaalsContact C-N 3.3Å; C1012-E1014 PolarHBondContact O-N 3.2Å; E1014-K1016 PolarHBondContact O-N 2.87Å; E1014-T1017 PolarHBondContact O-N 3.3Å; E1014-T1017 PolarHBondContact O-OG1 3.31Å; E1014-L1018 HydrophobicContact CB-CD1 4.45Å; E1014-L1018 WeakPolarHBondContact O-CG 3.16Å; E1014-L1018 PolarHBondContact O-N 3.36Å
1015L80.9Confident80.8Confident0 Ų052.7 Ų52.70%029%0.294CS..Hα-helixtrans-59.3-34.2-177.117958.9000111.9L987 L994 L997 A1008 M1009 C1012 P1013 L1018 L1019L987-L1015 HydrophobicContact CD2-CB 4.23Å; L987-L1015 HydrophobicContact CD2-CD1 3.8Å; L994-L1015 HydrophobicContact CD2-CD1 4.47Å; L997-L1015 HydrophobicContact CD1-CD1 3.43Å; L997-L1015 VanDerWaalsContact CD1-CD1 3.43Å; L997-L1015 HydrophobicContact CD1-CD2 4.25Å; L997-L1015 HydrophobicContact CD1-CG 4.48Å; A1008-L1015 HydrophobicContact CB-CD2 3.52Å; M1009-L1015 HydrophobicContact CG-CD2 4.42Å; C1012-L1015 WeakPolarHBondContact O-CB 3.28Å; C1012-L1015 PolarHBondContact O-N 3.39Å; C1012-L1015 VanDerWaalsContact O-N 3.07Å; P1013-L1015 PolarHBondContact O-N 3.44Å; P1013-L1015 VanDerWaalsContact O-N 3.13Å; L1015-L1018 PolarHBondContact O-N 3.03Å; L1015-L1019 HydrophobicContact CD1-CD1 3.86Å; L1015-L1019 HydrophobicContact CD1-CD2 4.37Å; L1015-L1019 HydrophobicContact CD1-CG 3.78Å; L1015-L1019 HydrophobicContact CD2-CD1 4.3Å; L1015-L1019 HydrophobicContact CG-CD1 3.76Å; L1015-L1019 HydrophobicContact CG-CG 4.15Å; L1015-L1019 WeakPolarHBondContact O-CB 3.15Å; L1015-L1019 WeakPolarHBondContact O-CG 3.44Å; L1015-L1019 PolarHBondContact O-N 2.96Å
1016K79.3Confident80.8Confident54 Ų5454.1 Ų54.124%0.23530%0.301CS..Hα-helixtrans-64.6-43.8-178.2-170.8176.1-176.1175.50112.4M1009 P1013 E1014 R1020 L1041 D1044M1009-K1016 HydrophobicContact CE-CB 4.26Å; M1009-K1016 HydrophobicContact CE-CG 4.18Å; M1009-K1016 HydrophobicContact CG-CB 4.42Å; M1009-K1016 HydrophobicContact SD-CB 4.23Å; M1009-K1016 HydrophobicContact SD-CD 4.43Å; M1009-K1016 HydrophobicContact SD-CG 4.26Å; P1013-K1016 PolarHBondContact O-N 2.78Å; E1014-K1016 PolarHBondContact O-N 2.87Å; K1016-R1020 PolarHBondContact O-N 3.48Å; K1016-L1041 WeakPolarHBondContact CE-O 3.29Å; K1016-D1044 WeakPolarHBondContact CE-O 3.36Å; K1016-D1044 PolarHBondContact NZ-O 3.09Å
1017T79.9Confident80.7Confident80 Ų8055.4 Ų55.449%0.49131%0.311SS..Hα-helixtrans-68.5-38.9178.958.10000110.9E1014 R1020 N1021E1014-T1017 PolarHBondContact O-N 3.3Å; E1014-T1017 PolarHBondContact O-OG1 3.31Å; T1017-R1020 PolarHBondContact O-N 3.12Å; T1017-N1021 PolarHBondContact O-N 3.42Å; T1017-N1021 PolarHBondContact O-ND2 2.88Å
1018L80.3Confident80.3Confident42 Ų4259.8 Ų59.822%0.2234%0.336CS..Hα-helixtrans-67.5-42178.3-68.2166.1000113.1L987 K990 L994 E1014 L1015 N1021 H1022L987-L1018 HydrophobicContact CD2-CD1 4.18Å; K990-L1018 HydrophobicContact CD-CD1 3.57Å; K990-L1018 HydrophobicContact CD-CD2 4.35Å; K990-L1018 HydrophobicContact CG-CD1 4.44Å; L994-L1018 HydrophobicContact CD2-CB 4.34Å; E1014-L1018 HydrophobicContact CB-CD1 4.45Å; E1014-L1018 WeakPolarHBondContact O-CG 3.16Å; E1014-L1018 PolarHBondContact O-N 3.36Å; L1015-L1018 PolarHBondContact O-N 3.03Å; L1018-N1021 PolarHBondContact O-N 3.41Å; L1018-H1022 WeakPolarHBondContact O-CB 3.36Å; L1018-H1022 PolarHBondContact O-N 2.74Å
1019L80.8Confident80.1Confident0 Ų063.7 Ų63.70%036%0.363CS..Hα-helixtrans-66.4-40.3174.3-71.6174.4000111.3L994 L997 L998 L1005 M1009 L1015 N1021 H1022 V1023 I1042L994-L1019 HydrophobicContact CB-CD2 4.3Å; L994-L1019 HydrophobicContact CD2-CD2 4Å; L997-L1019 HydrophobicContact CB-CD2 4.36Å; L998-L1019 HydrophobicContact CD2-CD2 3.98Å; L998-L1019 HydrophobicContact CG-CD2 4.01Å; L1005-L1019 HydrophobicContact CD1-CD1 4Å; L1005-L1019 HydrophobicContact CG-CD1 4.42Å; M1009-L1019 HydrophobicContact CE-CD1 4.07Å; L1015-L1019 HydrophobicContact CD1-CD1 3.86Å; L1015-L1019 HydrophobicContact CD1-CD2 4.37Å; L1015-L1019 HydrophobicContact CD1-CG 3.78Å; L1015-L1019 HydrophobicContact CD2-CD1 4.3Å; L1015-L1019 HydrophobicContact CG-CD1 3.76Å; L1015-L1019 HydrophobicContact CG-CG 4.15Å; L1015-L1019 WeakPolarHBondContact O-CB 3.15Å; L1015-L1019 WeakPolarHBondContact O-CG 3.44Å; L1015-L1019 PolarHBondContact O-N 2.96Å; L1019-N1021 PolarHBondContact O-N 2.98Å; L1019-H1022 PolarHBondContact O-N 2.75Å; L1019-V1023 VanDerWaalsContact O-CB 3.29Å; L1019-V1023 WeakPolarHBondContact O-CB 3.49Å; L1019-V1023 WeakPolarHBondContact O-CG2 3.41Å; L1019-V1023 PolarHBondContact O-N 3.19Å; L1019-I1042 HydrophobicContact CB-CD1 4.17Å; L1019-I1042 HydrophobicContact CB-CG1 4.29Å; L1019-I1042 HydrophobicContact CB-CG2 4.4Å; L1019-I1042 HydrophobicContact CD1-CD1 4.35Å; L1019-I1042 HydrophobicContact CD1-CG1 4.4Å
1020R80.7Confident79.9Confident68 Ų6867.3 Ų67.326%0.25738%0.38SS..Hα-helixtrans-56.3-50.4172.3-87.7-173.3-174.3170.6-0.5111.4K1016 T1017 H1022 V1023 A1024 I1042 N1043 E1045K1016-R1020 PolarHBondContact O-N 3.48Å; T1017-R1020 PolarHBondContact O-N 3.12Å; R1020-H1022 VanDerWaalsContact C-N 3.33Å; R1020-H1022 PolarHBondContact O-N 2.85Å; R1020-V1023 PolarHBondContact O-N 2.89Å; R1020-A1024 WeakPolarHBondContact O-CB 3.5Å; R1020-A1024 PolarHBondContact O-N 3.31Å; R1020-I1042 HydrophobicContact CB-CG2 4.29Å; R1020-I1042 HydrophobicContact CG-CG2 3.5Å; R1020-I1042 PolarHBondContact NE-O 3.14Å; R1020-I1042 PolarHBondContact NH2-O 3.16Å; R1020-N1043 PolarHBondContact NH2-O 3.01Å; R1020-E1045 IonicContact CZ-OE1 3.77Å; R1020-E1045 IonicContact NH1-OE1 2.94Å; R1020-E1045 PolarHBondContact NH1-OE1 3.37Å; R1020-E1045 IonicContact NH2-OE1 3.62Å
1021N80.3Confident79.6Confident108 Ų10864.4 Ų64.458%0.57837%0.367SS*.Hα-helixtrans-62.6-40.3-178.9-69.5-12000111.8T1017 L1018 L1019 C1025T1017-N1021 PolarHBondContact O-N 3.42Å; T1017-N1021 PolarHBondContact O-ND2 2.88Å; L1018-N1021 PolarHBondContact O-N 3.41Å; L1019-N1021 PolarHBondContact O-N 2.98Å; N1021-C1025 PolarHBondContact O-N 3.47Å; N1021-C1025 PolarHBondContact O-SG 2.75Å
1022H79.5Confident79.2Confident41 Ų4165.9 Ų65.919%0.1939%0.388CS..Hα-helixtrans-69.4-46.6177.4-173.671.9000112.4L994 L1018 L1019 R1020 A1024 C1025 L1026L994-H1022 HydrophobicContact CB-CB 4.25Å; L994-H1022 HydrophobicContact CD1-CB 3.56Å; L994-H1022 HydrophobicContact CG-CB 4.5Å; L1018-H1022 WeakPolarHBondContact O-CB 3.36Å; L1018-H1022 PolarHBondContact O-N 2.74Å; L1019-H1022 PolarHBondContact O-N 2.75Å; R1020-H1022 VanDerWaalsContact C-N 3.33Å; R1020-H1022 PolarHBondContact O-N 2.85Å; H1022-A1024 VanDerWaalsContact C-N 3.26Å; H1022-A1024 PolarHBondContact O-N 3.29Å; H1022-C1025 WeakPolarHBondContact O-CA 3.36Å; H1022-C1025 WeakPolarHBondContact O-CB 3.4Å; H1022-C1025 PolarHBondContact O-N 2.93Å; H1022-L1026 PolarHBondContact O-N 3.45Å
1023V79.6Confident78.9Confident8 Ų871.9 Ų71.95%0.04842%0.417CS..Hα-helixtrans-60.6-37.7176.61710000110.7L998 L1019 R1020 C1025 L1026 K1031 I1034 M1039 I1042L998-V1023 HydrophobicContact CD1-CG2 3.99Å; L998-V1023 HydrophobicContact CD2-CG2 3.96Å; L1019-V1023 VanDerWaalsContact O-CB 3.29Å; L1019-V1023 WeakPolarHBondContact O-CB 3.49Å; L1019-V1023 WeakPolarHBondContact O-CG2 3.41Å; L1019-V1023 PolarHBondContact O-N 3.19Å; R1020-V1023 PolarHBondContact O-N 2.89Å; V1023-C1025 PolarHBondContact O-N 2.99Å; V1023-L1026 HydrophobicContact CG2-CD1 4.36Å; V1023-L1026 WeakPolarHBondContact O-CB 3.31Å; V1023-L1026 PolarHBondContact O-N 3.34Å; V1023-K1031 HydrophobicContact CG1-CG 4.42Å; V1023-K1031 WeakPolarHBondContact O-CE 3.3Å; V1023-K1031 PolarHBondContact O-NZ 3.23Å; V1023-I1034 HydrophobicContact CG2-CD1 4.09Å; V1023-M1039 HydrophobicContact CG1-CE 3.73Å; V1023-M1039 HydrophobicContact CG1-SD 3.8Å; V1023-M1039 HydrophobicContact CG2-SD 4.45Å; V1023-I1042 HydrophobicContact CG2-CD1 4.41Å
1024A80Confident78.7Confident70 Ų7067.9 Ų67.958%0.57939%0.39SS*.Hα-helixtrans-56.1-37.5174.600000112.2R1020 H1022 K1031R1020-A1024 WeakPolarHBondContact O-CB 3.5Å; R1020-A1024 PolarHBondContact O-N 3.31Å; H1022-A1024 VanDerWaalsContact C-N 3.26Å; H1022-A1024 PolarHBondContact O-N 3.29Å; A1024-K1031 PolarHBondContact O-NZ 3.23Å
1025C80.2Confident78.5Confident112 Ų11265.1 Ų65.176%0.75738%0.379SS*.Hα-helixtrans-79.4-11.7178.8-59.60000114.5N1021 H1022 V1023N1021-C1025 PolarHBondContact O-N 3.47Å; N1021-C1025 PolarHBondContact O-SG 2.75Å; H1022-C1025 WeakPolarHBondContact O-CA 3.36Å; H1022-C1025 WeakPolarHBondContact O-CB 3.4Å; H1022-C1025 PolarHBondContact O-N 2.93Å; V1023-C1025 PolarHBondContact O-N 2.99Å
1026L80.4Confident78.2Confident32 Ų3269.3 Ų69.317%0.16841%0.407CS..SBendtrans-76.6144.1179.6-66.2175.8000112.1L998 H1022 V1023 Q1030 K1031 I1034L998-L1026 HydrophobicContact CD1-CD1 4.01Å; H1022-L1026 PolarHBondContact O-N 3.45Å; V1023-L1026 HydrophobicContact CG2-CD1 4.36Å; V1023-L1026 WeakPolarHBondContact O-CB 3.31Å; V1023-L1026 PolarHBondContact O-N 3.34Å; L1026-Q1030 HydrophobicContact CB-CB 4.09Å; L1026-Q1030 HydrophobicContact CD2-CB 4.34Å; L1026-K1031 HydrophobicContact CB-CG 4.09Å; L1026-K1031 WeakPolarHBondContact O-CE 3.43Å; L1026-K1031 PolarHBondContact O-NZ 2.83Å; L1026-I1034 HydrophobicContact CD1-CD1 3.82Å
1027S79.1Confident78.1Confident52 Ų5270.9 Ų70.936%0.36442%0.418SS..  trans-66158.9173.361.40000112S1029 Q1030 K1031S1027-S1029 VanDerWaalsContact C-N 3.27Å; S1027-S1029 PolarHBondContact O-N 3.41Å; S1027-S1029 PolarHBondContact OG-OG 2.99Å; S1027-Q1030 WeakPolarHBondContact O-CB 3.46Å; S1027-Q1030 PolarHBondContact O-N 3.29Å; S1027-Q1030 VanDerWaalsContact OG-CG 3.29Å; S1027-Q1030 WeakPolarHBondContact OG-CG 3.38Å; S1027-Q1030 PolarHBondContact OG-OE1 3.18Å; S1027-K1031 PolarHBondContact O-N 2.9Å
1028T76Confident77.9Confident127 Ų12767.1 Ų67.178%0.77939%0.394SS*.Hα-helixtrans-57.9-37.5-179.27.10000112.9K1031 A1032T1028-K1031 PolarHBondContact O-N 2.98Å; T1028-A1032 PolarHBondContact O-N 3.49Å
1029S77.8Confident77.5Confident83 Ų8366.9 Ų66.958%0.5839%0.392SS*.Hα-helixtrans-66.4-37.6175.351.90000112.5S1027S1027-S1029 VanDerWaalsContact C-N 3.27Å; S1027-S1029 PolarHBondContact O-N 3.41Å; S1027-S1029 PolarHBondContact OG-OG 2.99Å
1030Q78.3Confident77.3Confident92 Ų9274.6 Ų74.643%0.4342%0.422SS..Hα-helixtrans-70.8-40176.1-72.9167.2-29.400112L1026 S1027 A1032 L1033L1026-Q1030 HydrophobicContact CB-CB 4.09Å; L1026-Q1030 HydrophobicContact CD2-CB 4.34Å; S1027-Q1030 WeakPolarHBondContact O-CB 3.46Å; S1027-Q1030 PolarHBondContact O-N 3.29Å; S1027-Q1030 VanDerWaalsContact OG-CG 3.29Å; S1027-Q1030 WeakPolarHBondContact OG-CG 3.38Å; S1027-Q1030 PolarHBondContact OG-OE1 3.18Å; Q1030-A1032 VanDerWaalsContact C-N 3.27Å; Q1030-A1032 PolarHBondContact O-N 3.14Å; Q1030-L1033 PolarHBondContact O-N 3.38Å
1031K75.3Confident77Confident73 Ų7373 Ų7332%0.31742%0.418SS..Hα-helixtrans-60.3-36.5175.7-73.9174.3176.3162.40112.4V1023 A1024 L1026 S1027 T1028 L1033 I1034V1023-K1031 HydrophobicContact CG1-CG 4.42Å; V1023-K1031 WeakPolarHBondContact O-CE 3.3Å; V1023-K1031 PolarHBondContact O-NZ 3.23Å; A1024-K1031 PolarHBondContact O-NZ 3.23Å; L1026-K1031 HydrophobicContact CB-CG 4.09Å; L1026-K1031 WeakPolarHBondContact O-CE 3.43Å; L1026-K1031 PolarHBondContact O-NZ 2.83Å; S1027-K1031 PolarHBondContact O-N 2.9Å; T1028-K1031 PolarHBondContact O-N 2.98Å; K1031-L1033 PolarHBondContact O-N 3.16Å; K1031-I1034 PolarHBondContact O-N 2.86Å
1032A73.7Confident76.7Confident87 Ų8767.8 Ų67.872%0.71939%0.39SS*.THydrogen-bonded Turntrans-66.8-21.3179.300000114T1028 Q1030T1028-A1032 PolarHBondContact O-N 3.49Å; Q1030-A1032 VanDerWaalsContact C-N 3.27Å; Q1030-A1032 PolarHBondContact O-N 3.14Å
1033L75Confident76.4Confident153 Ų15370.2 Ų70.280%0.80141%0.405SS*.THydrogen-bonded Turntrans-82.7-13.4177.5-71161.5000113Q1030 K1031Q1030-L1033 PolarHBondContact O-N 3.38Å; K1031-L1033 PolarHBondContact O-N 3.16Å
1034I75.2Confident75.7Confident18 Ų1872.8 Ų72.89%0.09242%0.418CS..SBendtrans-80.4136-179.1-54.2171.9000108.8L998 V1023 L1026 K1031 A1038 M1039L998-I1034 HydrophobicContact CD1-CD1 3.95Å; L998-I1034 HydrophobicContact CD2-CD1 4.38Å; L998-I1034 HydrophobicContact CD2-CG2 4.23Å; V1023-I1034 HydrophobicContact CG2-CD1 4.09Å; L1026-I1034 HydrophobicContact CD1-CD1 3.82Å; K1031-I1034 PolarHBondContact O-N 2.86Å; I1034-A1038 HydrophobicContact CG2-CB 4.43Å; I1034-M1039 HydrophobicContact CB-CG 3.96Å; I1034-M1039 HydrophobicContact CB-SD 4.14Å; I1034-M1039 HydrophobicContact CD1-SD 3.88Å; I1034-M1039 HydrophobicContact CG2-CG 3.68Å; I1034-M1039 HydrophobicContact CG2-SD 3.91Å
1035N76.8Confident74.4Confident67 Ų6777 Ų7736%0.35843%0.426SS..  trans-53.4124.2176.3-177.2-25.5000110.3N1037 A1038 M1039N1035-N1037 PolarHBondContact O-N 3.38Å; N1035-N1037 VanDerWaalsContact O-N 3.16Å; N1035-N1037 WeakPolarHBondContact OD1-CB 3.46Å; N1035-N1037 PolarHBondContact OD1-N 3.12Å; N1035-A1038 HydrophobicContact CB-CB 4.14Å; N1035-A1038 WeakPolarHBondContact O-CA 3.36Å; N1035-A1038 WeakPolarHBondContact O-CB 3.43Å; N1035-A1038 PolarHBondContact O-N 3.37Å; N1035-M1039 PolarHBondContact O-N 3.24Å
1036P74.6Confident72.7Confident89 Ų8976.8 Ų76.858%0.57843%0.425SS*.Hα-helixtrans-59.4-30-17720.6-31.6000113.2M1039 R1040P1036-M1039 PolarHBondContact O-N 3.05Å; P1036-R1040 WeakPolarHBondContact O-CG 3.43Å; P1036-R1040 PolarHBondContact O-N 2.89Å
1037N76Confident70.8Confident87 Ų8778.9 Ų78.947%0.46544%0.436SS..Hα-helixtrans-69.5-36.7174.9-68.2-14.1000111.8A1002 N1035 R1040 L1041A1002-N1037 HydrophobicContact CB-CB 3.68Å; N1035-N1037 PolarHBondContact O-N 3.38Å; N1035-N1037 VanDerWaalsContact O-N 3.16Å; N1035-N1037 WeakPolarHBondContact OD1-CB 3.46Å; N1035-N1037 PolarHBondContact OD1-N 3.12Å; N1037-R1040 PolarHBondContact O-N 3.38Å; N1037-L1041 WeakPolarHBondContact O-CG 3.4Å; N1037-L1041 PolarHBondContact O-N 3.39Å
1038A75.9Confident68.7Low0 Ų082.4 Ų82.40%045%0.448CS..Hα-helixtrans-67.4-40173.700000111.1A1002 L1005 I1034 N1035 R1040 L1041 I1042A1002-A1038 HydrophobicContact CB-CB 4.49Å; L1005-A1038 HydrophobicContact CD2-CB 4.21Å; I1034-A1038 HydrophobicContact CG2-CB 4.43Å; N1035-A1038 HydrophobicContact CB-CB 4.14Å; N1035-A1038 WeakPolarHBondContact O-CA 3.36Å; N1035-A1038 WeakPolarHBondContact O-CB 3.43Å; N1035-A1038 PolarHBondContact O-N 3.37Å; A1038-R1040 VanDerWaalsContact C-N 3.34Å; A1038-R1040 PolarHBondContact O-N 3.33Å; A1038-L1041 PolarHBondContact O-N 3.05Å; A1038-I1042 WeakPolarHBondContact O-CD1 3.41Å; A1038-I1042 VanDerWaalsContact O-CG1 3.25Å; A1038-I1042 WeakPolarHBondContact O-CG1 3.49Å; A1038-I1042 PolarHBondContact O-N 2.87Å
1039M71.7Confident66.9Low37 Ų3785.1 Ų85.118%0.18245%0.452CS..Hα-helixtrans-61.4-39.9173.6-74.2-67.3-67.300112.4V1023 I1034 N1035 P1036 I1042 N1043V1023-M1039 HydrophobicContact CG1-CE 3.73Å; V1023-M1039 HydrophobicContact CG1-SD 3.8Å; V1023-M1039 HydrophobicContact CG2-SD 4.45Å; I1034-M1039 HydrophobicContact CB-CG 3.96Å; I1034-M1039 HydrophobicContact CB-SD 4.14Å; I1034-M1039 HydrophobicContact CD1-SD 3.88Å; I1034-M1039 HydrophobicContact CG2-CG 3.68Å; I1034-M1039 HydrophobicContact CG2-SD 3.91Å; N1035-M1039 PolarHBondContact O-N 3.24Å; P1036-M1039 PolarHBondContact O-N 3.05Å; M1039-I1042 PolarHBondContact O-N 3.07Å; M1039-N1043 WeakPolarHBondContact O-CB 3.15Å; M1039-N1043 VanDerWaalsContact O-CG 3.3Å; M1039-N1043 PolarHBondContact O-N 3.22Å; M1039-N1043 PolarHBondContact O-ND2 3.37Å
1040R77Confident65.1Low162 Ų16285.7 Ų85.761%0.61145%0.452SS*.Hα-helixtrans-60.7-49.9172.7-75.7179.7-176.6175.10.5111.4P1036 N1037 A1038 I1042 N1043 D1044P1036-R1040 WeakPolarHBondContact O-CG 3.43Å; P1036-R1040 PolarHBondContact O-N 2.89Å; N1037-R1040 PolarHBondContact O-N 3.38Å; A1038-R1040 VanDerWaalsContact C-N 3.34Å; A1038-R1040 PolarHBondContact O-N 3.33Å; R1040-I1042 VanDerWaalsContact C-N 3.29Å; R1040-I1042 PolarHBondContact O-N 3.46Å; R1040-N1043 PolarHBondContact O-N 3.44Å; R1040-N1043 VanDerWaalsContact O-N 3.09Å; R1040-D1044 VanDerWaalsContact O-CB 3.23Å; R1040-D1044 WeakPolarHBondContact O-CB 3.17Å; R1040-D1044 VanDerWaalsContact O-CG 3.27Å; R1040-D1044 PolarHBondContact O-N 2.95Å
1041L74.7Confident63Low34 Ų3487.3 Ų87.318%0.17846%0.462CS..Hα-helixtrans-57.8-38.4177.3-71.3170.4000113.8A1002 L1005 K1016 N1037 A1038A1002-L1041 HydrophobicContact CB-CD1 3.74Å; A1002-L1041 WeakPolarHBondContact O-CD1 3.4Å; L1005-L1041 HydrophobicContact CD2-CB 4.28Å; L1005-L1041 HydrophobicContact CD2-CD1 4.41Å; K1016-L1041 WeakPolarHBondContact CE-O 3.29Å; N1037-L1041 WeakPolarHBondContact O-CG 3.4Å; N1037-L1041 PolarHBondContact O-N 3.39Å; A1038-L1041 PolarHBondContact O-N 3.05Å
1042I74.6Confident61.1Low0 Ų093 Ų930%049%0.49CS..Hα-helixtrans-69.3-39.4177.9-66.2164000110.5L998 L1005 M1009 L1019 R1020 V1023 A1038 M1039 R1040L998-I1042 HydrophobicContact CD2-CD1 3.62Å; L1005-I1042 HydrophobicContact CD2-CD1 4.26Å; L1005-I1042 HydrophobicContact CD2-CG1 3.95Å; M1009-I1042 HydrophobicContact CE-CG1 3.77Å; L1019-I1042 HydrophobicContact CB-CD1 4.17Å; L1019-I1042 HydrophobicContact CB-CG1 4.29Å; L1019-I1042 HydrophobicContact CB-CG2 4.4Å; L1019-I1042 HydrophobicContact CD1-CD1 4.35Å; L1019-I1042 HydrophobicContact CD1-CG1 4.4Å; R1020-I1042 HydrophobicContact CB-CG2 4.29Å; R1020-I1042 HydrophobicContact CG-CG2 3.5Å; R1020-I1042 PolarHBondContact NE-O 3.14Å; R1020-I1042 PolarHBondContact NH2-O 3.16Å; V1023-I1042 HydrophobicContact CG2-CD1 4.41Å; A1038-I1042 WeakPolarHBondContact O-CD1 3.41Å; A1038-I1042 VanDerWaalsContact O-CG1 3.25Å; A1038-I1042 WeakPolarHBondContact O-CG1 3.49Å; A1038-I1042 PolarHBondContact O-N 2.87Å; M1039-I1042 PolarHBondContact O-N 3.07Å; R1040-I1042 VanDerWaalsContact C-N 3.29Å; R1040-I1042 PolarHBondContact O-N 3.46Å
1043N73.4Confident59.3Low92 Ų9292.9 Ų92.949%0.49248%0.484SS..Hα-helixtrans-85.8-33.5-176.1-69.6-18.9000113.9R1020 M1039 R1040 E1045R1020-N1043 PolarHBondContact NH2-O 3.01Å; M1039-N1043 WeakPolarHBondContact O-CB 3.15Å; M1039-N1043 VanDerWaalsContact O-CG 3.3Å; M1039-N1043 PolarHBondContact O-N 3.22Å; M1039-N1043 PolarHBondContact O-ND2 3.37Å; R1040-N1043 PolarHBondContact O-N 3.44Å; R1040-N1043 VanDerWaalsContact O-N 3.09Å; N1043-E1045 PolarHBondContact O-N 3.13Å
1044D63.5Low57.2Low61 Ų6192.1 Ų92.133%0.32648%0.48SS..  trans-75119.5-173.2-76.5-28.5000111.2K1016 R1040 S1046 I1047K1016-D1044 WeakPolarHBondContact CE-O 3.36Å; K1016-D1044 PolarHBondContact NZ-O 3.09Å; R1040-D1044 VanDerWaalsContact O-CB 3.23Å; R1040-D1044 WeakPolarHBondContact O-CB 3.17Å; R1040-D1044 VanDerWaalsContact O-CG 3.27Å; R1040-D1044 PolarHBondContact O-N 2.95Å; D1044-S1046 VanDerWaalsContact C-N 3.26Å; D1044-S1046 PolarHBondContact O-N 3.04Å; D1044-I1047 HydrophobicContact CB-CD1 4.26Å; D1044-I1047 HydrophobicContact CB-CG1 4.33Å; D1044-I1047 WeakPolarHBondContact OD2-CD1 3.07Å
1045E52.5Low55Low160 Ų16098.4 Ų98.475%0.74851%0.514SS*.SBendtrans-77.3-2.6176.9-70.2-163.2158.200114.3R1020 N1043R1020-E1045 IonicContact CZ-OE1 3.77Å; R1020-E1045 IonicContact NH1-OE1 2.94Å; R1020-E1045 PolarHBondContact NH1-OE1 3.37Å; R1020-E1045 IonicContact NH2-OE1 3.62Å; N1043-E1045 PolarHBondContact O-N 3.13Å
1046S45.2Very low52.6Low106 Ų106104.6 Ų104.674%0.74154%0.538SS*.SBendtrans-144.830.1-16161.60000118.3D1044D1044-S1046 VanDerWaalsContact C-N 3.26Å; D1044-S1046 PolarHBondContact O-N 3.04Å
1047I40.9Very low50.4Low77 Ų77109.8 Ų109.840%0.39556%0.555SS.*  trans-127.654.3179.4-42.3177.9000112.9D1044 V1050D1044-I1047 HydrophobicContact CB-CD1 4.26Å; D1044-I1047 HydrophobicContact CB-CG1 4.33Å; D1044-I1047 WeakPolarHBondContact OD2-CD1 3.07Å; I1047-V1050 HydrophobicContact CG2-CB 4.14Å; I1047-V1050 HydrophobicContact CG2-CG2 4.41Å
1048M34.8Very low48.1Very low125 Ų125108.9 Ų108.962%0.61657%0.566SS**SBendtrans-90.9-5.8164.6-89.6-86.5-142.900113.4K1010K1010-M1048 HydrophobicContact CD-SD 4.39Å; K1010-M1048 VanDerWaalsContact CE-SD 3.51Å; K1010-M1048 HydrophobicContact CG-CE 3.59Å; K1010-M1048 HydrophobicContact CG-SD 3.94Å
1049E38Very low45.7Very low185 Ų185116.7 Ų116.786%0.86461%0.608SS**SBendtrans-108.7-6.7-173.1-71.9-173.8165.900116.4
1050V40.9Very low43.5Very low94 Ų94123.4 Ų123.457%0.5764%0.644SS**SBendtrans-102.3-6-168.6-174.30000115.4I1047 Q1052I1047-V1050 HydrophobicContact CG2-CB 4.14Å; I1047-V1050 HydrophobicContact CG2-CG2 4.41Å; V1050-Q1052 VanDerWaalsContact C-N 3.31Å; V1050-Q1052 PolarHBondContact O-N 2.89Å
1051I33.1Very low41.1Very low126 Ų126124.9 Ų124.965%0.64666%0.655SS**THydrogen-bonded Turntrans-86.85.1-178-58.3176.8000113.2
1052Q35Very low38.6Very low192 Ų192128.6 Ų128.690%0.89768%0.683SS**THydrogen-bonded Turntrans-92.6-2.9175.5-80-173.7-11.300115.4V1050V1050-Q1052 VanDerWaalsContact C-N 3.31Å; V1050-Q1052 PolarHBondContact O-N 2.89Å
1053S37.1Very low36.3Very low86 Ų86136.5 Ų136.560%0.60173%0.725SS**SBendtrans-109.7-7.1-16953.50000117.7
1054D30.2Very low34.4Very low136 Ų136137.4 Ų137.473%0.72774%0.736SS**SBendtrans-123.2118.7-177.1-73-30.9000112.8
1055N28.1Very low32.7Very low151 Ų151141.3 Ų141.381%0.80776%0.761SS**SBendtrans82.8116.7175-60.1-30.4000115.3
1056F28.1Very low31.4Very low196 Ų196141 Ų14186%0.8676%0.764SS**  cis-159.8130.931.3-139.2-109000107.8G1058F1056-G1058 PolarHBondContact O-N 2.95Å
1057Q26.8Very low30.4Very low198 Ų198144.9 Ų144.993%0.92577%0.771SS**  trans-64.3121.9162-81.7171.2-34.400108.6
1058G27.7Very low29.6Very low68 Ų68150.2 Ų150.270%0.70179%0.794SS**  trans-174.8102.5173.400000110.6F1056 L1060F1056-G1058 PolarHBondContact O-N 2.95Å; G1058-L1060 PolarHBondContact O-N 3.02Å
1059D25.8Very low28.9Very low165 Ų165152 Ų15288%0.88280%0.803SS**  trans-43.3122.9-179.9-72.3-50.5000114.6
1060L25.7Very low28.4Very low177 Ų177149.1 Ų149.193%0.92780%0.798SS**  trans-151.5131.1146.8-108.1128.7000111.3G1058G1058-L1060 PolarHBondContact O-N 3.02Å
1061K26.4Very low27.5Very low194 Ų194152.7 Ų152.784%0.84381%0.809SS**  trans-69141.1-164.8-68.1169175.2175.10113.1
1062S23.4Very low27.1Very low111 Ų111152.3 Ų152.378%0.77682%0.816SS**  trans-18.3127.6156.556.40000116.9
1063L25.7Very low26.7Very low167 Ų167147.8 Ų147.887%0.87481%0.811SS**  trans-143.6138.3146.4-90.8157.4000107.6
1064P33.7Very low26Very low111 Ų111154 Ų15472%0.72182%0.823SS**  trans-91.1145.3-163.236-32000112.1
1065V28.2Very low25.9Very low142 Ų142156.5 Ų156.586%0.86183%0.83SS**  trans-131.6115167.9179.70000107.2
1066D24.8Very low25.6Very low153 Ų153157.1 Ų157.182%0.81883%0.828SS**  trans-71147.4178.6-73.4-49.4000111.7
1067Q22.9Very low25.5Very low188 Ų188153.4 Ų153.488%0.87983%0.827SS**  trans-78.9129.7178.7-66.4166.9-26.100110.4
1068E24.4Very low25.4Very low189 Ų189150.8 Ų150.888%0.88382%0.819SS**  trans-131.9112.5150.8-75.8-169.7161.500109.2
1069M21.3Very low25.5Very low162 Ų162153 Ų15380%0.79882%0.824SS**  trans-74.6131.9168.3-63.1-167.4-39.800109.2
1070V27.3Very low25.5Very low126 Ų126152.5 Ų152.576%0.76482%0.821SS**  trans-12794.3159.9-1790000107.7
1071E22.2Very low25.7Very low169 Ų169154 Ų15479%0.7982%0.82SS**  trans-70.9126.7157.9-73.4178.1143.300108.1
1072C23.4Very low25.7Very low117 Ų117153.7 Ų153.779%0.79182%0.822SS**  trans-143.2123159.7-96.10000111.1
1073A26.9Very low26Very low98 Ų98160.3 Ų160.381%0.8183%0.83SS**  trans-45.1138-176.500000116.9
1074Y22.5Very low26.2Very low215 Ų215159.2 Ų159.284%0.84383%0.825SS**  trans-88120.2156.6-80.2-98.5000108.6
1075E27.4Very low26.1Very low189 Ų189161.6 Ų161.688%0.88383%0.832SS**  trans-124.4116.9157.5-77.3-167.8164.800109.7
1076H23.6Very low26.1Very low164 Ų164162.2 Ų162.276%0.75983%0.83SS**  trans-65.4138168.3-82.725.7000110.5
1077S26.3Very low26.4Very low119 Ų119163.9 Ų163.983%0.83283%0.833SS**  trans-140.396.5150.946.20000109.3
1078D24.5Very low26.7Very low142 Ų142159.5 Ų159.576%0.75982%0.823SS**  trans-70.2135.4156.6-73.1-43000108.8
1079S29.7Very low26.8Very low116 Ų116155.7 Ų155.781%0.81182%0.817SS**  trans-169.6113.7137.229.50000110.7
1080D25.1Very low27.2Very low154 Ų154154.3 Ų154.382%0.82482%0.818SS**  trans-47.7144.5163-58.8-61.8000112.7
1081K30.2Very low27.3Very low209 Ų209156.4 Ų156.491%0.90983%0.825SS**  trans-160.4106143-108.3164-167.4177.50110.8
1082E26.7Very low27.7Very low187 Ų187152.3 Ų152.387%0.87481%0.814SS**  trans-48.6135.4160-64.5166.7150.200111.3
1083R29.3Very low27.9Very low249 Ų249153.2 Ų153.294%0.9482%0.817SS**  trans-147.6105.9151.8-92.1-172-178.3167.7-0.6108.7
1084D29.4Very low28Very low145 Ų145155.8 Ų155.878%0.77582%0.817SS**  trans-62.1143.3153.3-64.5-50000109.6
1085D31.4Very low28.3Very low161 Ų161153 Ų15386%0.86182%0.817SS**  -179.9129.1123.6-86.2-27.5000110.1
1086D28.1Very low28.4Very low154 Ų154151.2 Ų151.282%0.82481%0.812SS**  trans-56.1145.1170.6-67.6-60.5000112.7
1087E32.1Very low28.7Very low188 Ų188148.6 Ų148.688%0.87981%0.81SS**  -175.2114.9128.7-102.7176.8-173.200113.3
1088S28Very low28.9Very low97 Ų97148.9 Ų148.968%0.67880%0.801SS**  trans10.2122.114557.90000121.9
1089S27.9Very low29.1Very low109 Ų109150.7 Ų150.776%0.76281%0.805SS**  46.6113.3129.467.90000120.2
1090V30.4Very low29.2Very low133 Ų133149.1 Ų149.181%0.80679%0.79SS**  -146.4120.1125.3179.40000108.5S1092V1090-S1092 PolarHBondContact O-N 2.77Å
1091D29Very low29.4Very low170 Ų170146.8 Ų146.891%0.90978%0.776SS**  trans-76.8106.3171.8-154.16.3000107.5
1092S29Very low29.4Very low82 Ų82143.6 Ų143.657%0.57377%0.769SS**  trans-136.7112.5169.562.60000109.9V1090 D1094V1090-S1092 PolarHBondContact O-N 2.77Å; S1092-D1094 PolarHBondContact O-N 2.76Å; S1092-D1094 VanDerWaalsContact O-N 3.14Å
1093T27.7Very low29.5Very low137 Ų137142.3 Ų142.384%0.8476%0.763SS**  trans-29.5102.5170.248.40000114.4D1095T1093-D1095 PolarHBondContact O-N 3Å
1094D30.1Very low29.6Very low151 Ų151134.7 Ų134.781%0.80775%0.748SS**  trans-82.2105.7169.9-81.9-31.7000110.2S1092 L1096S1092-D1094 PolarHBondContact O-N 2.76Å; S1092-D1094 VanDerWaalsContact O-N 3.14Å; D1094-L1096 PolarHBondContact O-N 3.09Å; D1094-L1096 VanDerWaalsContact O-N 3.1Å
1095D28.3Very low29.7Very low158 Ų158131.2 Ų131.285%0.84575%0.747SS**  trans-63.3101.3160.3-85.7-40.2000108.7T1093T1093-D1095 PolarHBondContact O-N 3Å
1096L29.5Very low29.8Very low150 Ų150130.2 Ų130.279%0.78574%0.741SS**  trans-54120.2177.6-74.6160.7000111.2D1094D1094-L1096 PolarHBondContact O-N 3.09Å; D1094-L1096 VanDerWaalsContact O-N 3.1Å
1097P30.1Very low29.9Very low110 Ų110132 Ų13271%0.71475%0.747SS**  trans-72.7134.8177.929.3-31.1000109.9E1099P1097-E1099 PolarHBondContact O-N 2.83Å
1098I30.7Very low30.2Very low125 Ų125131.4 Ų131.464%0.64174%0.744SS**  trans-70.995.4176.6-60.1166.7000107.4V770 V1100V770-I1098 HydrophobicContact CG2-CD1 4.31Å; I1098-V1100 PolarHBondContact O-N 2.94Å
1099E29.5Very low30.3Very low180 Ų180131.4 Ų131.484%0.84175%0.75SS**  trans-66.4117.3168.6-80.8-175.4169.900109.3P1097P1097-E1099 PolarHBondContact O-N 2.83Å
1100V31Very low30.5Very low83 Ų83139 Ų13950%0.50377%0.773SS.*  trans-75.5121.8-178.7178.90000107.5R766 I1098 D1102R766-V1100 VanDerWaalsContact NH1-CG2 3.3Å; I1098-V1100 PolarHBondContact O-N 2.94Å; V1100-D1102 PolarHBondContact O-N 2.93Å
1101I29.7Very low30.5Very low104 Ų104139.3 Ų139.353%0.53377%0.772SS.*  trans-70.3109.8171.2-59.1167.1000106.4E1103I1101-E1103 HydrophobicContact CG2-CG 4.31Å; I1101-E1103 PolarHBondContact O-N 3.48Å; I1101-E1103 VanDerWaalsContact O-N 3.1Å
1102D30.4Very low30.6Very low143 Ų143137.7 Ų137.777%0.76577%0.765SS**  trans-6999.5168-110.8-19.9000108.1V1100 S1104V1100-D1102 PolarHBondContact O-N 2.93Å; D1102-S1104 PolarHBondContact O-N 3.48Å; D1102-S1104 VanDerWaalsContact O-N 3.11Å
1103E29Very low30.7Very low160 Ų160140.8 Ų140.875%0.74878%0.775SS**  trans-79.964.7166.3-71.5179.6170.600109I1101I1101-E1103 HydrophobicContact CG2-CG 4.31Å; I1101-E1103 PolarHBondContact O-N 3.48Å; I1101-E1103 VanDerWaalsContact O-N 3.1Å
1104S30Very low30.9Very low89 Ų89141 Ų14162%0.62277%0.771SS**  trans-104.973.1161.261.50000107.9D1102 D1106D1102-S1104 PolarHBondContact O-N 3.48Å; D1102-S1104 VanDerWaalsContact O-N 3.11Å; S1104-D1106 PolarHBondContact O-N 3.12Å
1105G32.2Very low30.9Very low72 Ų72140.4 Ų140.474%0.74277%0.769SS**  trans-76.6115.5167.500000108.7M1107G1105-M1107 PolarHBondContact O-N 3.32Å
1106D33.2Very low31.1Very low139 Ų139139.2 Ų139.274%0.74376%0.764SS**  trans-50.3124.3-177.1-65.4-61.5000112.8S1104 E1108S1104-D1106 PolarHBondContact O-N 3.12Å; D1106-E1108 HydrophobicContact CB-CG 4.15Å; D1106-E1108 PolarHBondContact O-N 3.15Å
1107M30.6Very low31.2Very low192 Ų192138.4 Ų138.495%0.94676%0.763SS**  trans-72.780.9158.3-75.2-104.7-68.100107.2G1105G1105-M1107 PolarHBondContact O-N 3.32Å
1108E38.9Very low31.3Very low175 Ų175140.6 Ų140.682%0.81877%0.766SS**  trans-70.5131.8167.8-75.8-170.5152.300109.9D1106D1106-E1108 HydrophobicContact CB-CG 4.15Å; D1106-E1108 PolarHBondContact O-N 3.15Å
1109A29.2Very low31.4Very low97 Ų97141.9 Ų141.980%0.80278%0.777SS**  trans-76.1120.4-174.900000112.1
1110E32.7Very low31.5Very low269 Ų269138.5 Ų138.5100%1.25777%0.771SS**  trans-142.90135.4-75.6-167158.400107.3

Retrieved 1,110 of 1,110 residues in 435.8 ms (Link to these results)

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