A0A087XWF9_POEFO Loading...

SS18L1 subunit of BAF chromatin remodeling complex

AlphaFold DB , UniProt , Accession A0A087XWF9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 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
1M38.9Very low38.7Very low239 Ų239157.5 Ų157.5100%1.17786%0.86SS**  0120.20-64.1165.387.100106.7
2S36.6Very low38.9Very low127 Ų127152.4 Ų152.489%0.88885%0.845SS**  trans-95.2115.1-176.1-54.90000109.6A4S2-A4 PolarHBondContact O-N 3.17Å; S2-A4 VanDerWaalsContact O-N 3.12Å
3V41.3Very low39.3Very low129 Ų129157.7 Ų157.778%0.78285%0.853SS**  trans-77.595.8175.6-74.40000109.8F5V3-F5 PolarHBondContact O-N 2.93Å
4A37.3Very low39.9Very low90 Ų90150.3 Ų150.374%0.74483%0.832SS**  trans-69.2119.3170.900000109.3S2 S6S2-A4 PolarHBondContact O-N 3.17Å; S2-A4 VanDerWaalsContact O-N 3.12Å; A4-S6 PolarHBondContact O-N 3.04Å
5F36Very low40.7Very low200 Ų200152.1 Ų152.188%0.87783%0.832SS**  trans-67103.7170.5-78.1-91.8000109.2V3 S7V3-F5 PolarHBondContact O-N 2.93Å; F5-S7 PolarHBondContact O-N 3.14Å
6S34.6Very low42.3Very low111 Ų111146.3 Ų146.378%0.77680%0.803SS**  trans-60.6100.4169.7-69.80000109.6A4 T8A4-S6 PolarHBondContact O-N 3.04Å; S6-T8 PolarHBondContact O-N 2.89Å
7S37Very low44.5Very low119 Ų119141.8 Ų141.883%0.83278%0.781SS**  trans-53112.2171.1-179.50000109.2F5 R9F5-S7 PolarHBondContact O-N 3.14Å; S7-R9 VanDerWaalsContact C-N 3.27Å; S7-R9 PolarHBondContact O-N 3.38Å
8T44.2Very low46.8Very low137 Ų137143.3 Ų143.384%0.8478%0.781SS**  trans-72.886.6179.9350000109.7S6S6-T8 PolarHBondContact O-N 2.89Å
9R35.8Very low48.9Very low217 Ų217144.2 Ų144.282%0.81978%0.779SS**  trans18.3115.6152.8-162.8177-155.5-126.14.4114.7S7 R11S7-R9 VanDerWaalsContact C-N 3.27Å; S7-R9 PolarHBondContact O-N 3.38Å; R9-R11 PolarHBondContact O-N 3.4Å
10P42.8Very low50.9Low130 Ų130140.1 Ų140.184%0.84476%0.759SS**  trans-56.8108.2-177.924.8-34000109.9S12P10-S12 PolarHBondContact O-N 3.18Å
11R41.5Very low52.8Low234 Ų234135.6 Ų135.688%0.88374%0.735SS**  trans-76.395.7-171.1-174.1178.1-178.7126.3-0.8108.6R9R9-R11 PolarHBondContact O-N 3.4Å
12S41.1Very low55.4Low96 Ų96128.9 Ų128.967%0.67170%0.7SS**  trans48.5128.3161.954.10000117.1P10 G14P10-S12 PolarHBondContact O-N 3.18Å; S12-G14 PolarHBondContact O-N 3.26Å
13K43.3Very low58.1Low221 Ų221129.6 Ų129.696%0.96169%0.687SS**  trans-59.877.1161.8-72.7-179172-176.80111.5
14G48.4Very low60.5Low54 Ų54124.2 Ų124.256%0.55765%0.654SS**  trans-85.6122.1144.100000105.5S12 V16S12-G14 PolarHBondContact O-N 3.26Å; G14-V16 PolarHBondContact O-N 3.43Å
15E51.3Low63.2Low178 Ų178123.7 Ų123.783%0.83264%0.638SS**  trans-54.7126.6173.1-64.3-177.3140.800108.1T17E15-T17 PolarHBondContact O-N 3.41Å; E15-T17 PolarHBondContact O-OG1 2.91Å
16V66.5Low66.1Low59 Ų59118.6 Ų118.636%0.35862%0.62SS.*  trans-75.584.9175.6-176.90000107.2G14 I21 I64G14-V16 PolarHBondContact O-N 3.43Å; V16-I21 HydrophobicContact CG1-CD1 4Å; V16-I21 HydrophobicContact CG1-CG1 3.81Å; V16-I64 HydrophobicContact CB-CG2 4.23Å; V16-I64 HydrophobicContact CG1-CD1 3.62Å; V16-I64 HydrophobicContact CG1-CG1 4.11Å; V16-I64 HydrophobicContact CG1-CG2 3.81Å; V16-I64 HydrophobicContact CG2-CD1 4.43Å; V16-I64 HydrophobicContact CG2-CG1 4.28Å
17T80.8Confident69Low70 Ų70116.6 Ų116.643%0.42960%0.598SS.*  trans-62.3143.2-176.7-420000110.2E15 Q19 T20 I21E15-T17 PolarHBondContact O-N 3.41Å; E15-T17 PolarHBondContact O-OG1 2.91Å; T17-Q19 HydrophobicContact CG2-CB 4.19Å; T17-Q19 HydrophobicContact CG2-CG 4.32Å; T17-Q19 PolarHBondContact O-N 2.73Å; T17-Q19 VanDerWaalsContact O-N 3.08Å; T17-T20 WeakPolarHBondContact O-CB 3.35Å; T17-T20 PolarHBondContact O-N 3.01Å; T17-I21 PolarHBondContact O-N 3.43Å
18Q85.4Confident71.9Confident168 Ų168111.4 Ų111.479%0.78556%0.561SS**Hα-helixtrans-51.6-33.1172.5-82.1-172.7-10.600112.7T20 I21 Q22Q18-T20 PolarHBondContact O-N 3.17Å; Q18-I21 PolarHBondContact O-N 2.77Å; Q18-Q22 WeakPolarHBondContact O-CB 3.46Å; Q18-Q22 PolarHBondContact O-N 3.14Å
19Q87.1Confident74.4Confident161 Ų161110.3 Ų110.375%0.75255%0.546SS*.Hα-helixtrans-60.8-39.7174.8-66.8-176.6-9.500113.2T17 K23T17-Q19 HydrophobicContact CG2-CB 4.19Å; T17-Q19 HydrophobicContact CG2-CG 4.32Å; T17-Q19 PolarHBondContact O-N 2.73Å; T17-Q19 VanDerWaalsContact O-N 3.08Å; Q19-K23 WeakPolarHBondContact O-CB 3.47Å; Q19-K23 PolarHBondContact O-N 3.12Å
20T87.9Confident77.3Confident62 Ų62105.1 Ų105.138%0.3853%0.531SS..Hα-helixtrans-69.5-40.2176.7-52.90000110.8T17 Q18 M24T17-T20 WeakPolarHBondContact O-CB 3.35Å; T17-T20 PolarHBondContact O-N 3.01Å; Q18-T20 PolarHBondContact O-N 3.17Å; T20-M24 WeakPolarHBondContact O-CG 3.27Å; T20-M24 PolarHBondContact O-N 3.34Å; T20-M24 VanDerWaalsContact O-N 3.16Å
21I91.9Very high79.9Confident46 Ų4699.3 Ų99.324%0.23649%0.493CS..Hα-helixtrans-60.9-50.7173.9-66.3170000110.2V16 T17 Q18 K23 M24 L25 L61 I64V16-I21 HydrophobicContact CG1-CD1 4Å; V16-I21 HydrophobicContact CG1-CG1 3.81Å; T17-I21 PolarHBondContact O-N 3.43Å; Q18-I21 PolarHBondContact O-N 2.77Å; I21-K23 PolarHBondContact O-N 3.35Å; I21-M24 PolarHBondContact O-N 3.1Å; I21-M24 VanDerWaalsContact O-N 3.15Å; I21-L25 HydrophobicContact CG2-CD1 4.14Å; I21-L25 WeakPolarHBondContact O-CG 3.34Å; I21-L25 PolarHBondContact O-N 3.23Å; I21-L61 HydrophobicContact CB-CD2 4.47Å; I21-L61 HydrophobicContact CG2-CD2 3.83Å; I21-I64 HydrophobicContact CD1-CG2 4.26Å
22Q92.9Very high82.5Confident97 Ų9792.2 Ų92.245%0.45347%0.472SS..Hα-helixtrans-59.6-47.3179.6-171.859.752.400111.4Q18 M24 L25 D26Q18-Q22 WeakPolarHBondContact O-CB 3.46Å; Q18-Q22 PolarHBondContact O-N 3.14Å; Q22-M24 PolarHBondContact O-N 3.16Å; Q22-L25 WeakPolarHBondContact O-CA 3.49Å; Q22-L25 WeakPolarHBondContact O-CB 3.46Å; Q22-L25 PolarHBondContact O-N 2.9Å; Q22-D26 PolarHBondContact NE2-OD1 2.74Å; Q22-D26 PolarHBondContact O-N 3.2Å
23K92.5Very high85.1Confident142 Ų14292.4 Ų92.462%0.61746%0.462SS*.Hα-helixtrans-54.5-40.6176.3-177.5179.5177.2-177.60112.3Q19 I21 E27Q19-K23 WeakPolarHBondContact O-CB 3.47Å; Q19-K23 PolarHBondContact O-N 3.12Å; I21-K23 PolarHBondContact O-N 3.35Å; K23-E27 VanDerWaalsContact O-CB 3.27Å; K23-E27 WeakPolarHBondContact O-CB 3.3Å; K23-E27 PolarHBondContact O-N 3.24Å
24M92.2Very high87.6Confident17 Ų1782.8 Ų82.88%0.08442%0.422CS..Hα-helixtrans-74-29.4177.1-66.8-177.6-50.600113.2T20 I21 Q22 N28 Y60 L61 I64T20-M24 WeakPolarHBondContact O-CG 3.27Å; T20-M24 PolarHBondContact O-N 3.34Å; T20-M24 VanDerWaalsContact O-N 3.16Å; I21-M24 PolarHBondContact O-N 3.1Å; I21-M24 VanDerWaalsContact O-N 3.15Å; Q22-M24 PolarHBondContact O-N 3.16Å; M24-N28 VanDerWaalsContact O-CB 3.26Å; M24-N28 WeakPolarHBondContact O-CB 3.19Å; M24-N28 PolarHBondContact O-N 3.25Å; M24-N28 PolarHBondContact O-ND2 3.32Å; M24-N28 PolarHBondContact O-OD1 3.1Å; M24-Y60 HydrophobicContact CE-CD1 3.55Å; M24-Y60 HydrophobicContact CE-CE1 3.53Å; M24-Y60 HydrophobicContact SD-CD1 3.38Å; M24-Y60 WeakPolarHBondContact SD-CD1 3.31Å; M24-Y60 HydrophobicContact SD-CE1 3.5Å; M24-Y60 VanDerWaalsContact SD-CE1 3.5Å; M24-L61 HydrophobicContact CE-CD2 3.67Å; M24-L61 HydrophobicContact CE-CG 4.05Å; M24-I64 HydrophobicContact CE-CD1 4.25Å
25L95.1Very high89.9Confident79 Ų7981 Ų8141%0.41440%0.4SS..Hα-helixtrans-67.8-42.6171.6-67.3171.9000111I21 Q22 N28 H29 L61I21-L25 HydrophobicContact CG2-CD1 4.14Å; I21-L25 WeakPolarHBondContact O-CG 3.34Å; I21-L25 PolarHBondContact O-N 3.23Å; Q22-L25 WeakPolarHBondContact O-CA 3.49Å; Q22-L25 WeakPolarHBondContact O-CB 3.46Å; Q22-L25 PolarHBondContact O-N 2.9Å; L25-N28 PolarHBondContact O-N 3.18Å; L25-H29 PolarHBondContact O-N 2.73Å; L25-L61 HydrophobicContact CD2-CD1 3.8Å; L25-L61 HydrophobicContact CG-CD1 4.46Å
26D96.1Very high91.9Very high92 Ų9278.4 Ų78.449%0.49239%0.389SS..Hα-helixtrans-65.2-42.5175.3-54.8-27.8000110.9Q22 H29 H30Q22-D26 PolarHBondContact NE2-OD1 2.74Å; Q22-D26 PolarHBondContact O-N 3.2Å; D26-H29 WeakPolarHBondContact O-CB 3.41Å; D26-H29 PolarHBondContact O-N 2.9Å; D26-H30 PolarHBondContact O-N 3.18Å
27E96Very high93.3Very high70 Ų7079.5 Ų79.533%0.32739%0.393SS..Hα-helixtrans-61.1-44.9173.2-169.2-176.813600111.2K23 H29 H30 L31 N57K23-E27 VanDerWaalsContact O-CB 3.27Å; K23-E27 WeakPolarHBondContact O-CB 3.3Å; K23-E27 PolarHBondContact O-N 3.24Å; E27-H29 VanDerWaalsContact C-N 3.32Å; E27-H29 PolarHBondContact O-N 3.37Å; E27-H30 PolarHBondContact O-N 3.03Å; E27-H30 VanDerWaalsContact O-N 3.17Å; E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.41Å; E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 WeakPolarHBondContact O-CG 2.99Å; E27-L31 PolarHBondContact O-N 2.93Å; E27-N57 PolarHBondContact OE1-ND2 2.89Å
28N96.5Very high93.8Very high9 Ų979 Ų795%0.04838%0.384CS..Hα-helixtrans-61.3-39.7175.9-72.4-12.6000112.1M24 L25 L31 I32 L54 N57 L61M24-N28 VanDerWaalsContact O-CB 3.26Å; M24-N28 WeakPolarHBondContact O-CB 3.19Å; M24-N28 PolarHBondContact O-N 3.25Å; M24-N28 PolarHBondContact O-ND2 3.32Å; M24-N28 PolarHBondContact O-OD1 3.1Å; L25-N28 PolarHBondContact O-N 3.18Å; N28-L31 PolarHBondContact O-N 3.43Å; N28-I32 WeakPolarHBondContact O-CD1 3.48Å; N28-I32 VanDerWaalsContact O-CG1 3.25Å; N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 3.48Å; N28-L54 HydrophobicContact CB-CD1 3.72Å; N28-N57 WeakPolarHBondContact OD1-CB 3.29Å; N28-N57 PolarHBondContact OD1-ND2 3.3Å; N28-L61 WeakPolarHBondContact ND2-CD1 3.4Å
29H97.6Very high94.1Very high114 Ų11476.5 Ų76.553%0.52837%0.372SS..Hα-helixtrans-60.8-45.7174.1-171.6-19.3000111.3L25 D26 E27 I32 Q33L25-H29 PolarHBondContact O-N 2.73Å; D26-H29 WeakPolarHBondContact O-CB 3.41Å; D26-H29 PolarHBondContact O-N 2.9Å; E27-H29 VanDerWaalsContact C-N 3.32Å; E27-H29 PolarHBondContact O-N 3.37Å; H29-I32 PolarHBondContact O-N 2.94Å; H29-Q33 PolarHBondContact CE1-NE2 3.4Å; H29-Q33 PolarHBondContact O-N 3.32Å
30H97.1Very high94.4Very high109 Ų10973.3 Ų73.351%0.50537%0.367SS..Hα-helixtrans-65.6-41.3177.7-17860.8000112.2D26 E27 I32 Q33 C34D26-H30 PolarHBondContact O-N 3.18Å; E27-H30 PolarHBondContact O-N 3.03Å; E27-H30 VanDerWaalsContact O-N 3.17Å; H30-I32 PolarHBondContact O-N 3.43Å; H30-Q33 PolarHBondContact O-N 2.84Å; H30-C34 PolarHBondContact CE1-SG 3.48Å; H30-C34 PolarHBondContact NE2-SG 3.08Å; H30-C34 WeakPolarHBondContact O-CB 3.49Å; H30-C34 PolarHBondContact O-N 3.43Å
31L96.5Very high94.6Very high7 Ų776.1 Ų76.14%0.03737%0.374CS..Hα-helixtrans-59.9-43.5175.7-71.4167.9000111.6E27 N28 Q33 C34 I35 Y50 I53 L54E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.41Å; E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 WeakPolarHBondContact O-CG 2.99Å; E27-L31 PolarHBondContact O-N 2.93Å; N28-L31 PolarHBondContact O-N 3.43Å; L31-Q33 PolarHBondContact O-N 2.9Å; L31-C34 PolarHBondContact O-N 3.04Å; L31-I35 WeakPolarHBondContact O-CB 3.49Å; L31-I35 WeakPolarHBondContact O-CD1 3.15Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.06Å; L31-Y50 HydrophobicContact CD2-CD1 3.5Å; L31-Y50 VanDerWaalsContact CD2-CD1 3.5Å; L31-Y50 HydrophobicContact CD2-CE1 4.35Å; L31-Y50 HydrophobicContact CD2-CG 4.27Å; L31-I53 HydrophobicContact CD1-CB 4.21Å; L31-I53 HydrophobicContact CD1-CG2 3.7Å; L31-I53 HydrophobicContact CD2-CB 4.26Å; L31-I53 HydrophobicContact CD2-CG2 4.2Å; L31-L54 HydrophobicContact CB-CB 4.28Å; L31-L54 HydrophobicContact CB-CD1 4.29Å; L31-L54 HydrophobicContact CD1-CB 4.15Å; L31-L54 HydrophobicContact CD1-CD1 4.47Å
32I96.6Very high94.6Very high86 Ų8676.6 Ų76.644%0.44139%0.391SS..Hα-helixtrans-62.2-42.2176.7-69.4163.3000111.2N28 H29 H30 I35 M36 L54N28-I32 WeakPolarHBondContact O-CD1 3.48Å; N28-I32 VanDerWaalsContact O-CG1 3.25Å; N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 3.48Å; H29-I32 PolarHBondContact O-N 2.94Å; H30-I32 PolarHBondContact O-N 3.43Å; I32-I35 PolarHBondContact O-N 2.83Å; I32-M36 WeakPolarHBondContact O-CB 3.04Å; I32-M36 PolarHBondContact O-N 2.87Å; I32-L54 HydrophobicContact CD1-CD1 4.42Å; I32-L54 HydrophobicContact CG1-CD1 4.16Å; I32-L54 HydrophobicContact CG1-CD2 3.74Å
33Q96.5Very high94.6Very high99 Ų9976.3 Ų76.346%0.46339%0.388SS..Hα-helixtrans-62.6-50.2175-73.7172.9-25.300111.5H29 H30 L31 I35 M36 D37H29-Q33 PolarHBondContact CE1-NE2 3.4Å; H29-Q33 PolarHBondContact O-N 3.32Å; H30-Q33 PolarHBondContact O-N 2.84Å; L31-Q33 PolarHBondContact O-N 2.9Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 2.59Å; Q33-M36 WeakPolarHBondContact O-CB 3.5Å; Q33-M36 PolarHBondContact O-N 3.32Å; Q33-D37 WeakPolarHBondContact O-CB 3.37Å; Q33-D37 PolarHBondContact O-N 3.41Å
34C95.6Very high94.4Very high20 Ų2074.6 Ų74.614%0.13539%0.39CS..Hα-helixtrans-58-44.5176.7-78.30000112H30 L31 M36 D37 Y38H30-C34 PolarHBondContact CE1-SG 3.48Å; H30-C34 PolarHBondContact NE2-SG 3.08Å; H30-C34 WeakPolarHBondContact O-CB 3.49Å; H30-C34 PolarHBondContact O-N 3.43Å; L31-C34 PolarHBondContact O-N 3.04Å; C34-M36 VanDerWaalsContact C-N 3.34Å; C34-M36 PolarHBondContact O-N 3.22Å; C34-D37 PolarHBondContact O-N 3.11Å; C34-Y38 HydrophobicContact CB-CD2 4.21Å; C34-Y38 HydrophobicContact CB-CE2 4.14Å; C34-Y38 WeakPolarHBondContact O-CB 3.33Å; C34-Y38 WeakPolarHBondContact O-CD2 3.47Å; C34-Y38 PolarHBondContact O-N 3.29Å
35I95.9Very high94.4Very high15 Ų1577.5 Ų77.58%0.07742%0.416CS..Hα-helixtrans-59-44.6176.3-73.2163.5000111.2L31 I32 Q33 Y38 Q39 Q51 L54L31-I35 WeakPolarHBondContact O-CB 3.49Å; L31-I35 WeakPolarHBondContact O-CD1 3.15Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.06Å; I32-I35 PolarHBondContact O-N 2.83Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 2.59Å; I35-Y38 PolarHBondContact O-N 2.95Å; I35-Q39 WeakPolarHBondContact O-CB 3.45Å; I35-Q39 VanDerWaalsContact O-CG 3.3Å; I35-Q39 WeakPolarHBondContact O-CG 3.25Å; I35-Q39 PolarHBondContact O-N 2.82Å; I35-Q51 HydrophobicContact CD1-CG 3.99Å; I35-Q51 HydrophobicContact CG1-CG 4.37Å; I35-Q51 HydrophobicContact CG2-CG 4.49Å; I35-L54 HydrophobicContact CD1-CB 4.34Å; I35-L54 HydrophobicContact CD1-CD2 3.75Å
36M93.8Very high94.3Very high125 Ų12576.2 Ų76.262%0.61641%0.408SS*.Hα-helixtrans-62.9-45.9178.1-165.4-175.5-50.300111.6I32 Q33 C34 Q39 S40I32-M36 WeakPolarHBondContact O-CB 3.04Å; I32-M36 PolarHBondContact O-N 2.87Å; Q33-M36 WeakPolarHBondContact O-CB 3.5Å; Q33-M36 PolarHBondContact O-N 3.32Å; C34-M36 VanDerWaalsContact C-N 3.34Å; C34-M36 PolarHBondContact O-N 3.22Å; M36-Q39 PolarHBondContact O-N 2.95Å; M36-S40 PolarHBondContact O-N 3.4Å
37D94.5Very high94.2Very high82 Ų8272.2 Ų72.244%0.43939%0.387SS..Hα-helixtrans-60.4-46.4175.6-105.230.7000112.2Q33 C34 S40 K41Q33-D37 WeakPolarHBondContact O-CB 3.37Å; Q33-D37 PolarHBondContact O-N 3.41Å; C34-D37 PolarHBondContact O-N 3.11Å; D37-S40 PolarHBondContact O-N 3.45Å; D37-S40 PolarHBondContact O-OG 3.17Å; D37-K41 WeakPolarHBondContact O-CD 3.4Å; D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.28Å; D37-K41 PolarHBondContact O-N 3.03Å; D37-K41 VanDerWaalsContact O-N 3.12Å; D37-K41 IonicContact OD2-NZ 3.56Å; D37-K41 PolarHBondContact OD2-NZ 3.46Å
38Y93.1Very high94.1Very high58 Ų5870.6 Ų70.623%0.22738%0.382CS..Hα-helixtrans-70.8-33.2-179.6-73.9-57.7000112.8C34 I35 K41 G42 K43 E46 Y50C34-Y38 HydrophobicContact CB-CD2 4.21Å; C34-Y38 HydrophobicContact CB-CE2 4.14Å; C34-Y38 WeakPolarHBondContact O-CB 3.33Å; C34-Y38 WeakPolarHBondContact O-CD2 3.47Å; C34-Y38 PolarHBondContact O-N 3.29Å; I35-Y38 PolarHBondContact O-N 2.95Å; Y38-K41 PolarHBondContact O-N 3.43Å; Y38-G42 PolarHBondContact O-N 2.95Å; Y38-G42 VanDerWaalsContact O-N 3.16Å; Y38-K43 HydrophobicContact CD1-CB 3.69Å; Y38-K43 HydrophobicContact CD1-CD 3.52Å; Y38-K43 HydrophobicContact CD1-CG 4.24Å; Y38-K43 HydrophobicContact CE1-CD 3.73Å; Y38-K43 HydrophobicContact CG-CB 4.32Å; Y38-K43 PolarHBondContact O-N 3.41Å; Y38-E46 HydrophobicContact CD1-CB 4.22Å; Y38-E46 HydrophobicContact CD2-CB 4.37Å; Y38-E46 HydrophobicContact CE1-CB 4.37Å; Y38-E46 HydrophobicContact CG-CB 4.21Å; Y38-Y50 AromaticContact CD2-CD2 3.68Å; Y38-Y50 HydrophobicContact CD2-CD2 3.68Å; Y38-Y50 AromaticContact CD2-CE2 3.55Å; Y38-Y50 HydrophobicContact CD2-CE2 3.55Å; Y38-Y50 AromaticContact CE2-CD2 3.81Å; Y38-Y50 HydrophobicContact CE2-CD2 3.81Å; Y38-Y50 AromaticContact CE2-CE2 3.16Å; Y38-Y50 HydrophobicContact CE2-CE2 3.16Å; Y38-Y50 AromaticContact CE2-CZ 3.91Å
39Q91.4Very high94Very high117 Ų11775.9 Ų75.955%0.54741%0.407SS..Hα-helixtrans-62.9-46.6169.3-75.2179.238.800111.5I35 M36 K41 G42I35-Q39 WeakPolarHBondContact O-CB 3.45Å; I35-Q39 VanDerWaalsContact O-CG 3.3Å; I35-Q39 WeakPolarHBondContact O-CG 3.25Å; I35-Q39 PolarHBondContact O-N 2.82Å; M36-Q39 PolarHBondContact O-N 2.95Å; Q39-K41 PolarHBondContact O-N 3.47Å; Q39-G42 PolarHBondContact O-N 3.37Å; Q39-G42 VanDerWaalsContact O-N 3.1Å
40S92.8Very high94Very high93 Ų9373.2 Ų73.265%0.6539%0.393SS*.Hα-helixtrans-61-28.2177.677.10000113.4M36 D37M36-S40 PolarHBondContact O-N 3.4Å; D37-S40 PolarHBondContact O-N 3.45Å; D37-S40 PolarHBondContact O-OG 3.17Å
41K93.1Very high93.9Very high121 Ų12171 Ų7153%0.52638%0.383SS..THydrogen-bonded Turntrans-92.71.4179.9-65.5162.9-163.7164.10113.5D37 Y38 Q39 K43D37-K41 WeakPolarHBondContact O-CD 3.4Å; D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.28Å; D37-K41 PolarHBondContact O-N 3.03Å; D37-K41 VanDerWaalsContact O-N 3.12Å; D37-K41 IonicContact OD2-NZ 3.56Å; D37-K41 PolarHBondContact OD2-NZ 3.46Å; Y38-K41 PolarHBondContact O-N 3.43Å; Q39-K41 PolarHBondContact O-N 3.47Å; K41-K43 HydrophobicContact CB-CD 4.38Å; K41-K43 PolarHBondContact O-N 2.98Å
42G91Very high93.9Very high57 Ų5776.3 Ų76.359%0.58841%0.407SS*.THydrogen-bonded Turntrans67.818-178.400000115Y38 Q39 T44Y38-G42 PolarHBondContact O-N 2.95Å; Y38-G42 VanDerWaalsContact O-N 3.16Å; Q39-G42 PolarHBondContact O-N 3.37Å; Q39-G42 VanDerWaalsContact O-N 3.1Å; G42-T44 VanDerWaalsContact C-N 3.34Å; G42-T44 PolarHBondContact O-N 3.48Å; G42-T44 VanDerWaalsContact O-N 3.1Å
43K92.1Very high93.8Very high91 Ų9175 Ų7540%0.39640%0.4SS..  trans-86.971.1-177.4-84.8172.7162.9-89.10110.9Y38 K41 A45 E46 C47Y38-K43 HydrophobicContact CD1-CB 3.69Å; Y38-K43 HydrophobicContact CD1-CD 3.52Å; Y38-K43 HydrophobicContact CD1-CG 4.24Å; Y38-K43 HydrophobicContact CE1-CD 3.73Å; Y38-K43 HydrophobicContact CG-CB 4.32Å; Y38-K43 PolarHBondContact O-N 3.41Å; K41-K43 HydrophobicContact CB-CD 4.38Å; K41-K43 PolarHBondContact O-N 2.98Å; K43-A45 VanDerWaalsContact C-N 3.35Å; K43-A45 PolarHBondContact O-N 3.44Å; K43-E46 WeakPolarHBondContact CB-OE2 3.43Å; K43-E46 WeakPolarHBondContact CD-OE1 3.44Å; K43-E46 WeakPolarHBondContact CG-OE1 3.21Å; K43-E46 IonicContact NZ-OE1 2.73Å; K43-E46 PolarHBondContact NZ-OE1 2.96Å; K43-C47 WeakPolarHBondContact O-CB 3.43Å; K43-C47 PolarHBondContact O-N 3.39Å
44T88.8Confident93.8Very high105 Ų10571.4 Ų71.464%0.64438%0.384SS*.Hα-helixtrans-61.9-38.2-173.4-48.80000113G42 C47 T48G42-T44 VanDerWaalsContact C-N 3.34Å; G42-T44 PolarHBondContact O-N 3.48Å; G42-T44 VanDerWaalsContact O-N 3.1Å; T44-C47 WeakPolarHBondContact O-CB 3.42Å; T44-C47 PolarHBondContact O-N 3.44Å; T44-T48 PolarHBondContact O-N 3.33Å; T44-T48 PolarHBondContact O-OG1 3.05Å; T44-T48 VanDerWaalsContact O-OG1 3.08Å
45A92.4Very high93.8Very high78 Ų7876 Ų7665%0.64540%0.403SS*.Hα-helixtrans-65.7-49.5-177.700000112.1K43 T48 Q49K43-A45 VanDerWaalsContact C-N 3.35Å; K43-A45 PolarHBondContact O-N 3.44Å; A45-T48 PolarHBondContact O-N 3.12Å; A45-Q49 PolarHBondContact O-N 3.37Å
46E92.9Very high93.8Very high53 Ų5384.3 Ų84.325%0.24843%0.434CS..Hα-helixtrans-63.3-41.8175.6-59.698.3123.900111.3Y38 K43 T48 Q49 Y50Y38-E46 HydrophobicContact CD1-CB 4.22Å; Y38-E46 HydrophobicContact CD2-CB 4.37Å; Y38-E46 HydrophobicContact CE1-CB 4.37Å; Y38-E46 HydrophobicContact CG-CB 4.21Å; K43-E46 WeakPolarHBondContact CB-OE2 3.43Å; K43-E46 WeakPolarHBondContact CD-OE1 3.44Å; K43-E46 WeakPolarHBondContact CG-OE1 3.21Å; K43-E46 IonicContact NZ-OE1 2.73Å; K43-E46 PolarHBondContact NZ-OE1 2.96Å; E46-T48 VanDerWaalsContact C-N 3.34Å; E46-T48 PolarHBondContact O-N 3.22Å; E46-Q49 WeakPolarHBondContact O-CB 3.25Å; E46-Q49 PolarHBondContact O-N 3.35Å; E46-Q49 VanDerWaalsContact O-N 3.12Å; E46-Y50 HydrophobicContact CB-CD2 4.45Å; E46-Y50 HydrophobicContact CB-CE2 4.16Å; E46-Y50 WeakPolarHBondContact O-CD2 3.26Å; E46-Y50 PolarHBondContact O-N 3.27Å
47C93.6Very high93.9Very high7 Ų779 Ų795%0.04741%0.408CS..Hα-helixtrans-54.4-47.7175.4-178.60000112K43 T44 Q49 Y50 Q51K43-C47 WeakPolarHBondContact O-CB 3.43Å; K43-C47 PolarHBondContact O-N 3.39Å; T44-C47 WeakPolarHBondContact O-CB 3.42Å; T44-C47 PolarHBondContact O-N 3.44Å; C47-Q49 VanDerWaalsContact C-N 3.33Å; C47-Q49 PolarHBondContact O-N 3.44Å; C47-Y50 PolarHBondContact O-N 3.06Å; C47-Q51 VanDerWaalsContact O-CG 3.28Å; C47-Q51 WeakPolarHBondContact O-CG 3.44Å; C47-Q51 PolarHBondContact O-N 3.2Å; C47-Q51 PolarHBondContact SG-NE2 3.25Å
48T94.3Very high93.9Very high37 Ų3779.5 Ų79.523%0.22741%0.41CS..Hα-helixtrans-61.4-39.8177.3-57.70000112T44 A45 E46 Q51 Q52T44-T48 PolarHBondContact O-N 3.33Å; T44-T48 PolarHBondContact O-OG1 3.05Å; T44-T48 VanDerWaalsContact O-OG1 3.08Å; A45-T48 PolarHBondContact O-N 3.12Å; E46-T48 VanDerWaalsContact C-N 3.34Å; E46-T48 PolarHBondContact O-N 3.22Å; T48-Q51 PolarHBondContact O-N 3.04Å; T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.14Å; T48-Q52 VanDerWaalsContact O-N 3.14Å
49Q95.4Very high94.1Very high120 Ų12080 Ų8056%0.56142%0.419SS*.Hα-helixtrans-60.7-49.3176.1-174-175.415.800111.7A45 E46 C47 Q51 Q52 I53A45-Q49 PolarHBondContact O-N 3.37Å; E46-Q49 WeakPolarHBondContact O-CB 3.25Å; E46-Q49 PolarHBondContact O-N 3.35Å; E46-Q49 VanDerWaalsContact O-N 3.12Å; C47-Q49 VanDerWaalsContact C-N 3.33Å; C47-Q49 PolarHBondContact O-N 3.44Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3.31Å; Q49-Q52 PolarHBondContact O-N 3.47Å; Q49-I53 HydrophobicContact CG-CD1 4.46Å; Q49-I53 WeakPolarHBondContact O-CG1 3.4Å; Q49-I53 PolarHBondContact O-N 3.19Å
50Y95.9Very high94.2Very high58 Ų5879.4 Ų79.423%0.22741%0.412CS..Hα-helixtrans-66.5-33.8179.8-67.3-63.7000112.5L31 Y38 E46 C47 Q52 I53 L54L31-Y50 HydrophobicContact CD2-CD1 3.5Å; L31-Y50 VanDerWaalsContact CD2-CD1 3.5Å; L31-Y50 HydrophobicContact CD2-CE1 4.35Å; L31-Y50 HydrophobicContact CD2-CG 4.27Å; Y38-Y50 AromaticContact CD2-CD2 3.68Å; Y38-Y50 HydrophobicContact CD2-CD2 3.68Å; Y38-Y50 AromaticContact CD2-CE2 3.55Å; Y38-Y50 HydrophobicContact CD2-CE2 3.55Å; Y38-Y50 AromaticContact CE2-CD2 3.81Å; Y38-Y50 HydrophobicContact CE2-CD2 3.81Å; Y38-Y50 AromaticContact CE2-CE2 3.16Å; Y38-Y50 HydrophobicContact CE2-CE2 3.16Å; Y38-Y50 AromaticContact CE2-CZ 3.91Å; E46-Y50 HydrophobicContact CB-CD2 4.45Å; E46-Y50 HydrophobicContact CB-CE2 4.16Å; E46-Y50 WeakPolarHBondContact O-CD2 3.26Å; E46-Y50 PolarHBondContact O-N 3.27Å; C47-Y50 PolarHBondContact O-N 3.06Å; Y50-Q52 VanDerWaalsContact C-N 3.35Å; Y50-Q52 PolarHBondContact O-N 3.39Å; Y50-I53 HydrophobicContact CD1-CD1 4.42Å; Y50-I53 PolarHBondContact O-N 3.05Å; Y50-L54 WeakPolarHBondContact O-CB 3.03Å; Y50-L54 PolarHBondContact O-N 3.3Å
51Q95.4Very high94.2Very high63 Ų6376.2 Ų76.229%0.29439%0.388SS..Hα-helixtrans-60.3-40.9172.4-75.4172.8200112.5I35 C47 T48 Q49 L54 H55I35-Q51 HydrophobicContact CD1-CG 3.99Å; I35-Q51 HydrophobicContact CG1-CG 4.37Å; I35-Q51 HydrophobicContact CG2-CG 4.49Å; C47-Q51 VanDerWaalsContact O-CG 3.28Å; C47-Q51 WeakPolarHBondContact O-CG 3.44Å; C47-Q51 PolarHBondContact O-N 3.2Å; C47-Q51 PolarHBondContact SG-NE2 3.25Å; T48-Q51 PolarHBondContact O-N 3.04Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3.31Å; Q51-L54 PolarHBondContact O-N 3.47Å; Q51-H55 VanDerWaalsContact O-CB 3.31Å; Q51-H55 WeakPolarHBondContact O-CB 3.21Å; Q51-H55 PolarHBondContact O-N 2.97Å
52Q96.1Very high94.2Very high118 Ų11872.7 Ų72.755%0.55138%0.382SS*.Hα-helixtrans-65.5-40.9177.9-68-64.4-20.900112.2T48 Q49 Y50 R56T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.14Å; T48-Q52 VanDerWaalsContact O-N 3.14Å; Q49-Q52 PolarHBondContact O-N 3.47Å; Y50-Q52 VanDerWaalsContact C-N 3.35Å; Y50-Q52 PolarHBondContact O-N 3.39Å; Q52-R56 WeakPolarHBondContact O-CB 3.27Å; Q52-R56 PolarHBondContact O-N 2.89Å
53I95.1Very high94.2Very high57 Ų5773.6 Ų73.629%0.29238%0.376SS..Hα-helixtrans-65-47.9176.5-57.8167.7000109.9L31 Q49 Y50 H55 R56 N57L31-I53 HydrophobicContact CD1-CB 4.21Å; L31-I53 HydrophobicContact CD1-CG2 3.7Å; L31-I53 HydrophobicContact CD2-CB 4.26Å; L31-I53 HydrophobicContact CD2-CG2 4.2Å; Q49-I53 HydrophobicContact CG-CD1 4.46Å; Q49-I53 WeakPolarHBondContact O-CG1 3.4Å; Q49-I53 PolarHBondContact O-N 3.19Å; Y50-I53 HydrophobicContact CD1-CD1 4.42Å; Y50-I53 PolarHBondContact O-N 3.05Å; I53-H55 PolarHBondContact O-N 2.99Å; I53-R56 PolarHBondContact O-N 3.34Å; I53-N57 PolarHBondContact O-N 3.21Å
54L96.3Very high94.1Very high25 Ų2569.9 Ų69.913%0.13136%0.36CS..Hα-helixtrans-58.5-46.8177.5179.363.5000111.5N28 L31 I32 I35 Y50 Q51 R56 N57 L58N28-L54 HydrophobicContact CB-CD1 3.72Å; L31-L54 HydrophobicContact CB-CB 4.28Å; L31-L54 HydrophobicContact CB-CD1 4.29Å; L31-L54 HydrophobicContact CD1-CB 4.15Å; L31-L54 HydrophobicContact CD1-CD1 4.47Å; I32-L54 HydrophobicContact CD1-CD1 4.42Å; I32-L54 HydrophobicContact CG1-CD1 4.16Å; I32-L54 HydrophobicContact CG1-CD2 3.74Å; I35-L54 HydrophobicContact CD1-CB 4.34Å; I35-L54 HydrophobicContact CD1-CD2 3.75Å; Y50-L54 WeakPolarHBondContact O-CB 3.03Å; Y50-L54 PolarHBondContact O-N 3.3Å; Q51-L54 PolarHBondContact O-N 3.47Å; L54-R56 PolarHBondContact O-N 2.86Å; L54-N57 PolarHBondContact O-N 2.81Å; L54-L58 HydrophobicContact CD1-CD1 4.17Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.01Å; L54-L58 HydrophobicContact CG-CG 4.49Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 3.26Å
55H96.3Very high93.9Very high116 Ų11667.3 Ų67.354%0.53735%0.35SS..Hα-helixtrans-60-46.6177.6179.3-101.3000111.8Q51 I53 N57 L58 V59Q51-H55 VanDerWaalsContact O-CB 3.31Å; Q51-H55 WeakPolarHBondContact O-CB 3.21Å; Q51-H55 PolarHBondContact O-N 2.97Å; I53-H55 PolarHBondContact O-N 2.99Å; H55-N57 VanDerWaalsContact C-N 3.34Å; H55-N57 PolarHBondContact O-N 3.21Å; H55-L58 PolarHBondContact O-N 3.23Å; H55-V59 WeakPolarHBondContact O-CG2 3.5Å; H55-V59 PolarHBondContact O-N 3.37Å
56R96.4Very high93.4Very high190 Ų19068.9 Ų68.972%0.71735%0.347SS*.Hα-helixtrans-58-44.5175.9171.4177.4160.4173.6-7112Q52 I53 L54 Y60Q52-R56 WeakPolarHBondContact O-CB 3.27Å; Q52-R56 PolarHBondContact O-N 2.89Å; I53-R56 PolarHBondContact O-N 3.34Å; L54-R56 PolarHBondContact O-N 2.86Å; R56-Y60 WeakPolarHBondContact O-CB 3.41Å; R56-Y60 PolarHBondContact O-N 3.32Å
57N94.5Very high92.7Very high14 Ų1469.7 Ų69.78%0.07536%0.358CS..Hα-helixtrans-67.3-40.9-180-70.9-3.3000111.7E27 N28 I53 L54 H55 Y60 L61E27-N57 PolarHBondContact OE1-ND2 2.89Å; N28-N57 WeakPolarHBondContact OD1-CB 3.29Å; N28-N57 PolarHBondContact OD1-ND2 3.3Å; I53-N57 PolarHBondContact O-N 3.21Å; L54-N57 PolarHBondContact O-N 2.81Å; H55-N57 VanDerWaalsContact C-N 3.34Å; H55-N57 PolarHBondContact O-N 3.21Å; N57-Y60 PolarHBondContact O-N 2.93Å; N57-L61 WeakPolarHBondContact O-CB 3.49Å; N57-L61 WeakPolarHBondContact O-CG 3.41Å; N57-L61 PolarHBondContact O-N 3.48Å
58L95.9Very high91.5Very high92 Ų9273.8 Ų73.848%0.48238%0.38SS..Hα-helixtrans-64.2-45.2175.7-70.2172.1000112.3L54 H55 Y60 L61 A62L54-L58 HydrophobicContact CD1-CD1 4.17Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.01Å; L54-L58 HydrophobicContact CG-CG 4.49Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 3.26Å; H55-L58 PolarHBondContact O-N 3.23Å; L58-Y60 VanDerWaalsContact C-N 3.34Å; L58-Y60 PolarHBondContact O-N 2.89Å; L58-L61 PolarHBondContact O-N 2.94Å; L58-A62 WeakPolarHBondContact O-CB 3.4Å; L58-A62 PolarHBondContact O-N 2.94Å
59V95.8Very high90.1Very high69 Ų6977.6 Ų77.642%0.41840%0.395SS..Hα-helixtrans-63.4-40.3176.6170.80000111.3H55 A62 T63H55-V59 WeakPolarHBondContact O-CG2 3.5Å; H55-V59 PolarHBondContact O-N 3.37Å; V59-A62 PolarHBondContact O-N 3.27Å; V59-T63 WeakPolarHBondContact O-CB 3.34Å; V59-T63 PolarHBondContact O-N 3.41Å; V59-T63 PolarHBondContact O-OG1 3.48Å
60Y94Very high88Confident103 Ų10376.7 Ų76.740%0.40439%0.394SS..Hα-helixtrans-66.3-43.8176.6179.2-119.4000111.9M24 R56 N57 L58 A62 T63 I64M24-Y60 HydrophobicContact CE-CD1 3.55Å; M24-Y60 HydrophobicContact CE-CE1 3.53Å; M24-Y60 HydrophobicContact SD-CD1 3.38Å; M24-Y60 WeakPolarHBondContact SD-CD1 3.31Å; M24-Y60 HydrophobicContact SD-CE1 3.5Å; M24-Y60 VanDerWaalsContact SD-CE1 3.5Å; R56-Y60 WeakPolarHBondContact O-CB 3.41Å; R56-Y60 PolarHBondContact O-N 3.32Å; N57-Y60 PolarHBondContact O-N 2.93Å; L58-Y60 VanDerWaalsContact C-N 3.34Å; L58-Y60 PolarHBondContact O-N 2.89Å; Y60-A62 PolarHBondContact O-N 3.02Å; Y60-T63 PolarHBondContact O-N 3.43Å; Y60-I64 HydrophobicContact CD1-CD1 3.67Å; Y60-I64 HydrophobicContact CD2-CD1 4.04Å; Y60-I64 HydrophobicContact CD2-CG1 4.37Å; Y60-I64 HydrophobicContact CE1-CD1 3.39Å; Y60-I64 HydrophobicContact CE2-CD1 3.76Å; Y60-I64 HydrophobicContact CE2-CG1 4.09Å; Y60-I64 HydrophobicContact CG-CD1 4Å; Y60-I64 VanDerWaalsContact CZ-CD1 3.42Å; Y60-I64 WeakPolarHBondContact O-CD1 3.33Å; Y60-I64 VanDerWaalsContact O-CG1 3.27Å; Y60-I64 WeakPolarHBondContact O-CG1 3.36Å; Y60-I64 PolarHBondContact O-N 2.89Å
61L93.3Very high86Confident27 Ų2780.8 Ų80.814%0.14142%0.417CS..Hα-helixtrans-58.3-44.8173.1-78.2167.6000112.3I21 M24 L25 N28 N57 L58 I64 A65I21-L61 HydrophobicContact CB-CD2 4.47Å; I21-L61 HydrophobicContact CG2-CD2 3.83Å; M24-L61 HydrophobicContact CE-CD2 3.67Å; M24-L61 HydrophobicContact CE-CG 4.05Å; L25-L61 HydrophobicContact CD2-CD1 3.8Å; L25-L61 HydrophobicContact CG-CD1 4.46Å; N28-L61 WeakPolarHBondContact ND2-CD1 3.4Å; N57-L61 WeakPolarHBondContact O-CB 3.49Å; N57-L61 WeakPolarHBondContact O-CG 3.41Å; N57-L61 PolarHBondContact O-N 3.48Å; L58-L61 PolarHBondContact O-N 2.94Å; L61-I64 PolarHBondContact O-N 3.28Å; L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 2.97Å
62A92.5Very high84Confident47 Ų4783.9 Ų83.939%0.38843%0.432SS..Hα-helixtrans-60.4-48.6174.800000111.4L58 V59 Y60 I64 A65 D66L58-A62 WeakPolarHBondContact O-CB 3.4Å; L58-A62 PolarHBondContact O-N 2.94Å; V59-A62 PolarHBondContact O-N 3.27Å; Y60-A62 PolarHBondContact O-N 3.02Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.46Å; A62-A65 WeakPolarHBondContact O-CB 3.38Å; A62-A65 PolarHBondContact O-N 3.27Å; A62-D66 PolarHBondContact O-N 3.22Å
63T91.9Very high81.9Confident75 Ų7583.4 Ų83.446%0.4644%0.441SS..Hα-helixtrans-57.5-38.9178.6-54.50000112.4V59 Y60 S67V59-T63 WeakPolarHBondContact O-CB 3.34Å; V59-T63 PolarHBondContact O-N 3.41Å; V59-T63 PolarHBondContact O-OG1 3.48Å; Y60-T63 PolarHBondContact O-N 3.43Å; T63-S67 WeakPolarHBondContact O-CB 3.46Å; T63-S67 PolarHBondContact O-N 3Å; T63-S67 PolarHBondContact O-OG 2.98Å
64I89.3Confident79.9Confident14 Ų1486.6 Ų86.67%0.07246%0.458CS..Hα-helixtrans-69.7-41.9175.4-66.6157.7000111.6V16 I21 M24 Y60 L61 A62 S67 N68V16-I64 HydrophobicContact CB-CG2 4.23Å; V16-I64 HydrophobicContact CG1-CD1 3.62Å; V16-I64 HydrophobicContact CG1-CG1 4.11Å; V16-I64 HydrophobicContact CG1-CG2 3.81Å; V16-I64 HydrophobicContact CG2-CD1 4.43Å; V16-I64 HydrophobicContact CG2-CG1 4.28Å; I21-I64 HydrophobicContact CD1-CG2 4.26Å; M24-I64 HydrophobicContact CE-CD1 4.25Å; Y60-I64 HydrophobicContact CD1-CD1 3.67Å; Y60-I64 HydrophobicContact CD2-CD1 4.04Å; Y60-I64 HydrophobicContact CD2-CG1 4.37Å; Y60-I64 HydrophobicContact CE1-CD1 3.39Å; Y60-I64 HydrophobicContact CE2-CD1 3.76Å; Y60-I64 HydrophobicContact CE2-CG1 4.09Å; Y60-I64 HydrophobicContact CG-CD1 4Å; Y60-I64 VanDerWaalsContact CZ-CD1 3.42Å; Y60-I64 WeakPolarHBondContact O-CD1 3.33Å; Y60-I64 VanDerWaalsContact O-CG1 3.27Å; Y60-I64 WeakPolarHBondContact O-CG1 3.36Å; Y60-I64 PolarHBondContact O-N 2.89Å; L61-I64 PolarHBondContact O-N 3.28Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.46Å; I64-S67 PolarHBondContact O-N 3.48Å; I64-N68 WeakPolarHBondContact O-CB 3.44Å; I64-N68 PolarHBondContact O-N 3.41Å; I64-N68 PolarHBondContact O-ND2 3.49Å
65A84.4Confident77.6Confident51 Ų5191.8 Ų91.842%0.42149%0.485SS..Hα-helixtrans-63.2-46.4178.600000111L61 A62 S67 N68 Q69L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 2.97Å; A62-A65 WeakPolarHBondContact O-CB 3.38Å; A62-A65 PolarHBondContact O-N 3.27Å; A65-S67 VanDerWaalsContact C-N 3.34Å; A65-S67 PolarHBondContact O-N 3.23Å; A65-N68 WeakPolarHBondContact O-CB 3.43Å; A65-N68 PolarHBondContact O-N 3.35Å; A65-N68 VanDerWaalsContact O-N 3.15Å; A65-Q69 WeakPolarHBondContact O-CG 3.34Å; A65-Q69 PolarHBondContact O-N 3.39Å
66D82.4Confident75.3Confident111 Ų11191.8 Ų91.859%0.59450%0.496SS*.Hα-helixtrans-61.3-41.8175.4-65.4-28.7000111.4A62 N68 Q69 N70A62-D66 PolarHBondContact O-N 3.22Å; D66-N68 VanDerWaalsContact C-N 3.33Å; D66-N68 PolarHBondContact O-N 3.3Å; D66-Q69 PolarHBondContact O-N 3.22Å; D66-N70 WeakPolarHBondContact O-CB 3.44Å; D66-N70 PolarHBondContact O-N 2.94Å
67S78.6Confident72.9Confident69 Ų6987 Ų8748%0.48350%0.496SS..Hα-helixtrans-64.4-34.8175.2-59.40000112.8T63 I64 A65 M71T63-S67 WeakPolarHBondContact O-CB 3.46Å; T63-S67 PolarHBondContact O-N 3Å; T63-S67 PolarHBondContact O-OG 2.98Å; I64-S67 PolarHBondContact O-N 3.48Å; A65-S67 VanDerWaalsContact C-N 3.34Å; A65-S67 PolarHBondContact O-N 3.23Å; S67-M71 PolarHBondContact O-N 3.46Å
68N67.8Low70.9Confident93 Ų9391.8 Ų91.850%0.49753%0.528SS..Hα-helixtrans-68.7-40.3174.4-102.5-94.2000112.2I64 A65 D66I64-N68 WeakPolarHBondContact O-CB 3.44Å; I64-N68 PolarHBondContact O-N 3.41Å; I64-N68 PolarHBondContact O-ND2 3.49Å; A65-N68 WeakPolarHBondContact O-CB 3.43Å; A65-N68 PolarHBondContact O-N 3.35Å; A65-N68 VanDerWaalsContact O-N 3.15Å; D66-N68 VanDerWaalsContact C-N 3.33Å; D66-N68 PolarHBondContact O-N 3.3Å
69Q64.7Low68.8Low118 Ų11893 Ų9355%0.55154%0.541SS*.Hα-helixtrans-66.3-39.9175.4-68.4-66.8-33.500111.4A65 D66 M71 Q72 S73A65-Q69 WeakPolarHBondContact O-CG 3.34Å; A65-Q69 PolarHBondContact O-N 3.39Å; D66-Q69 PolarHBondContact O-N 3.22Å; Q69-M71 VanDerWaalsContact C-N 3.31Å; Q69-M71 PolarHBondContact O-N 3.45Å; Q69-Q72 PolarHBondContact O-N 2.82Å; Q69-S73 PolarHBondContact O-N 3.15Å
70N51.8Low66.6Low101 Ų10195 Ų9554%0.5456%0.559SS.*Hα-helixtrans-60.8-38.7179.1-159.9-81.5000112.6D66 Q72 S73 L74D66-N70 WeakPolarHBondContact O-CB 3.44Å; D66-N70 PolarHBondContact O-N 2.94Å; N70-Q72 VanDerWaalsContact C-N 3.28Å; N70-Q72 PolarHBondContact O-N 3.29Å; N70-S73 PolarHBondContact O-N 3.2Å; N70-L74 PolarHBondContact O-N 3.16Å
71M52.7Low64.6Low144 Ų14495.6 Ų95.671%0.70958%0.578SS**Hα-helixtrans-63.2-28.2174.1-76.3-76.8-68.900113.7S67 Q69S67-M71 PolarHBondContact O-N 3.46Å; Q69-M71 VanDerWaalsContact C-N 3.31Å; Q69-M71 PolarHBondContact O-N 3.45Å
72Q54.4Low62.3Low128 Ų128101.4 Ų101.460%0.59861%0.609SS**Hα-helixtrans-81.3-33.6177.1-64.9-175.328.900112.3Q69 N70 L74Q69-Q72 PolarHBondContact O-N 2.82Å; N70-Q72 VanDerWaalsContact C-N 3.28Å; N70-Q72 PolarHBondContact O-N 3.29Å; Q72-L74 VanDerWaalsContact C-N 3.26Å; Q72-L74 PolarHBondContact O-N 2.99Å
73S51.9Low60.3Low107 Ų107108.1 Ų108.175%0.74864%0.635SS**Hα-helixtrans-72.4-11.4176.1-75.90000114.9Q69 N70Q69-S73 PolarHBondContact O-N 3.15Å; N70-S73 PolarHBondContact O-N 3.2Å
74L54Low58.4Low124 Ų124109.7 Ų109.765%0.64965%0.649SS**THydrogen-bonded Turntrans-95.21.8179.7-77.2167.7000114.3N70 Q72 P76N70-L74 PolarHBondContact O-N 3.16Å; Q72-L74 VanDerWaalsContact C-N 3.26Å; Q72-L74 PolarHBondContact O-N 2.99Å; L74-P76 WeakPolarHBondContact O-CD 3.45Å
75L46.8Very low56.5Low134 Ų134117.9 Ų117.970%0.70269%0.689SS**SBendtrans-74121.3170-71.2171.1000109.6A77L75-A77 PolarHBondContact O-N 3.15Å
76P48.8Very low54.9Low117 Ų117120.2 Ų120.276%0.7670%0.695SS**PPolyproline II helixtrans-61138.7168.127.1-32.9000108.9L74L74-P76 WeakPolarHBondContact O-CD 3.45Å
77A46Very low53.4Low88 Ų88121.2 Ų121.273%0.72771%0.707SS**PPolyproline II helixtrans-52.7138.7-177.500000111L75L75-A77 PolarHBondContact O-N 3.15Å
78P51.3Low52Low115 Ų115120.8 Ų120.875%0.74771%0.713SS**PPolyproline II helixtrans-58.7137.7-178.924.7-34000109.7S80P78-S80 PolarHBondContact O-N 3.45Å; P78-S80 VanDerWaalsContact O-N 3.15Å
79P52.8Low50.7Low117 Ų117125.8 Ų125.876%0.7673%0.725SS**PPolyproline II helixtrans-59.5123.8177.625.1-33.1000108.9S81P79-S81 PolarHBondContact O-N 2.87Å
80S49.1Very low49.8Very low112 Ų112128.7 Ų128.778%0.78374%0.741SS**  trans-63105175.837.10000109.4P78 N82P78-S80 PolarHBondContact O-N 3.45Å; P78-S80 VanDerWaalsContact O-N 3.15Å; S80-N82 PolarHBondContact O-N 3.04Å
81S52.3Low49Very low115 Ų115128.5 Ų128.580%0.80475%0.748SS**  trans-69.767.2175.4-63.30000111.5P79 M83P79-S81 PolarHBondContact O-N 2.87Å; S81-M83 VanDerWaalsContact C-N 3.32Å; S81-M83 PolarHBondContact O-N 2.97Å
82N45Very low48.6Very low150 Ų150129.9 Ų129.980%0.80275%0.752SS**  trans-83.479.2176.3-14450.1000109.4S80 S84S80-N82 PolarHBondContact O-N 3.04Å; N82-S84 PolarHBondContact O-N 3.24Å
83M51.3Low47.6Very low187 Ų187128.8 Ų128.892%0.92176%0.758SS**  trans-61.8112.3168.9-74.2-171.2179.300109.9S81S81-M83 VanDerWaalsContact C-N 3.32Å; S81-M83 PolarHBondContact O-N 2.97Å
84S50.8Low46.7Very low108 Ų108127.9 Ų127.976%0.75577%0.766SS**  trans-161.677.4156.1-165.50000110.9N82N82-S84 PolarHBondContact O-N 3.24Å
85M49.7Very low45.6Very low186 Ų186125.6 Ų125.692%0.91677%0.773SS**  trans-115.197.9161.3-106.2-75.1-175.800106.7P87M85-P87 VanDerWaalsContact O-CD 3.31Å; M85-P87 WeakPolarHBondContact O-CD 3.42Å
86D51.4Low45.2Very low101 Ų101128.4 Ų128.454%0.5478%0.782SS.*  trans-77.1112.1179.8169.239.8000110.6R89D86-R89 IonicContact OD1-NH1 2.69Å; D86-R89 IonicContact OD2-CZ 2.59Å; D86-R89 IonicContact OD2-NH1 3.57Å; D86-R89 PolarHBondContact OD2-NH1 3.38Å; D86-R89 IonicContact OD2-NH2 3.83Å
87P51.3Low44.6Very low131 Ų131127.5 Ų127.585%0.85178%0.784SS**  trans-106.579.8-178.335.6-21.6000111M85M85-P87 VanDerWaalsContact O-CD 3.31Å; M85-P87 WeakPolarHBondContact O-CD 3.42Å
88G47.2Very low45Very low60 Ų60129 Ų12962%0.61979%0.787SS**  trans144.611215700000117.4
89R41.6Very low44.1Very low199 Ų199128.6 Ų128.675%0.75179%0.786SS**  trans-159.9111.9136.552.4-167.5167.5-70.4-7.1111.5D86D86-R89 IonicContact OD1-NH1 2.69Å; D86-R89 IonicContact OD2-CZ 2.59Å; D86-R89 IonicContact OD2-NH1 3.57Å; D86-R89 PolarHBondContact OD2-NH1 3.38Å; D86-R89 IonicContact OD2-NH2 3.83Å
90M44.9Very low43.1Very low178 Ų178131 Ų13188%0.87779%0.792SS**  trans-75.7135.7156-63.7148.567.300107.9
91S36.6Very low42.9Very low97 Ų97132.8 Ų132.868%0.67879%0.793SS**  trans158.3134.9144.7-89.20000114.6
92H42.3Very low42.1Very low173 Ų173134.8 Ų134.880%0.80179%0.794SS**  trans57141.5137.2-63.680.9000119.4
93S35.4Very low41.8Very low105 Ų105134.1 Ų134.173%0.73479%0.791SS**  cis165136.7-15.248.60000106.4
94G32.1Very low41Very low89 Ų89130.3 Ų130.392%0.91878%0.782SS**  trans104.9144.7154.900000118.5
95G30.7Very low40.5Very low76 Ų76133.4 Ų133.478%0.78479%0.789SS**  trans123.8102.5163.300000115
96H38.9Very low40.1Very low193 Ų193128 Ų12889%0.89478%0.781SS**  trans-96.5144.3178.5-50.9-96.1000112.2
97A36.7Very low39.4Very low97 Ų97129.5 Ų129.580%0.80280%0.8SS**  -179.6139.3127.700000111.7
98P52.9Low38.6Very low121 Ų121127 Ų12779%0.78680%0.798SS**  trans-105.4-179.2178.440.4-34.4000113.8
99S32.9Very low38.4Very low105 Ų105130.4 Ų130.473%0.73481%0.806SS**  trans101.696.8160.7-50.60000118
100N31.8Very low38.5Very low167 Ų167126.4 Ų126.489%0.89380%0.804SS**  -149.1139.9109.7-122-82000111.8
101L44.3Very low38.6Very low151 Ų151124.5 Ų124.579%0.79181%0.805SS**  trans-95.2128.3179.6-72.4151.8000108.8
102N35.6Very low38.9Very low156 Ų156125.4 Ų125.483%0.83481%0.806SS**  trans-15497.7147.6-164.638.6000110.6
103D39.3Very low39Very low136 Ų136122.6 Ų122.673%0.72781%0.806SS**  trans-71.9132.4170.4-73.4-82.5000111.3
104S34.1Very low39.6Very low107 Ų107125.9 Ų125.975%0.74881%0.812SS**  trans-163.198.3144.4-86.50000112.8
105I41.8Very low40.2Very low173 Ų173130.7 Ų130.789%0.88781%0.813SS**  trans50.6121.2139-48.3-60.1000119
106G39.3Very low40.6Very low73 Ų73135.3 Ų135.375%0.75381%0.814SS**  trans151.887.1146.300000117.3
107S37.2Very low40.8Very low133 Ų133129.8 Ų129.893%0.9380%0.797SS**  trans-52.2150.1169.5-49.40000114.6
108G35.4Very low40.9Very low79 Ų79133.1 Ų133.181%0.81480%0.796SS**  trans173.4109.4162.200000115.1
109V41.6Very low40.3Very low131 Ų131134.9 Ų134.979%0.79480%0.796SS**  trans-99.6153.5176-72.40000112
110T45.2Very low40.8Very low115 Ų115134.9 Ų134.971%0.70680%0.796SS**  trans58.8133.2160.855.20000120.5
111P47.2Very low41Very low137 Ų137134.5 Ų134.589%0.8979%0.794SS**  trans-95.9112.3146.232.8-25.2000110.6
112T41.7Very low40.6Very low117 Ų117133.1 Ų133.172%0.71879%0.787SS**  trans-79.6136.2173.8-62.10000111
113S44.3Very low41Very low114 Ų114132 Ų13280%0.79779%0.789SS**  trans-76.1131.6173.6-179.60000111.6
114M49.5Very low40.7Very low174 Ų174129.8 Ų129.886%0.85778%0.784SS**  trans-165.3107.8152.342.2-167.8-172.700113.7
115M43.1Very low41Very low190 Ų190133.7 Ų133.794%0.93679%0.79SS**  trans-154.1116.2138.1-161.4104.591.400109.6
116Q40.7Very low40.9Very low172 Ų172130 Ų13080%0.80479%0.785SS**  trans-102.6131.6176.8172.589.778.600108.8
117S43Very low41.4Very low78 Ų78132.4 Ų132.455%0.54579%0.788SS.*  trans18.9129158.1-480000120.4
118Q37.9Very low41.6Very low167 Ų167134 Ų13478%0.7878%0.782SS**  -177.2134.3112.7-97.4157.8107.600115.1
119M40.7Very low41.9Very low158 Ų158138.6 Ų138.678%0.77878%0.783SS**  trans55113.6139.9-57.9176.1-17100121.5
120S42.3Very low41.6Very low105 Ų105138.4 Ų138.473%0.73479%0.787SS**  31.6115.1121.2-45.10000120.2
121N36.2Very low41.2Very low159 Ų159136.2 Ų136.285%0.8579%0.788SS**  -179.8148117.9-91.5-24.3000113.3
122D35.9Very low40.6Very low121 Ų121138.2 Ų138.265%0.64778%0.784SS**  trans48.5117.5149.4-138.4-84.2000122.2S124D122-S124 WeakPolarHBondContact OD1-CB 3.49Å; D122-S124 PolarHBondContact OD1-N 3.26Å; D122-S124 PolarHBondContact OD1-OG 2.98Å
123P43.8Very low40.2Very low133 Ų133139.3 Ų139.386%0.86478%0.783SS**  trans-97.282.916435.9-28.4000112
124S33.1Very low39.7Very low89 Ų89141.2 Ų141.262%0.62278%0.78SS**  trans-94.2109.1175.5-84.70000113.7D122D122-S124 WeakPolarHBondContact OD1-CB 3.49Å; D122-S124 PolarHBondContact OD1-N 3.26Å; D122-S124 PolarHBondContact OD1-OG 2.98Å
125H42Very low38.8Very low189 Ų189137.9 Ų137.988%0.87577%0.773SS**  trans61.2123.1153-65.6-81.3000122.3
126A39.4Very low38.2Very low95 Ų95133.4 Ų133.479%0.78577%0.766SS**  trans-128.2140.5146.500000109.3
127P50Low38Very low125 Ų125133.4 Ų133.481%0.81277%0.77SS**  trans-103.3134.4-170.536.2-31.4000114.1
128M39.8Very low38Very low166 Ų166135.3 Ų135.382%0.81878%0.781SS**  trans-138.692.1163.8-73.2-125.979.300113
129Q42.1Very low37.7Very low176 Ų176133.2 Ų133.282%0.82278%0.784SS**  37.490.7125.7-164.417818.800120.2
130S36.6Very low37.4Very low126 Ų126132.2 Ų132.288%0.88179%0.787SS**  trans178.4150.4136.552.50000107.7
131G35.4Very low36.8Very low70 Ų70132.7 Ų132.772%0.72279%0.791SS**  cis149826.900000110.4
132H35.4Very low36.7Very low178 Ų178132.3 Ų132.382%0.82479%0.787SS**  trans83.2135.2156.9-108.956000121.8
133M32.8Very low36.5Very low140 Ų140137.4 Ų137.469%0.6980%0.799SS**  trans88.5104.2149.4-55.5-53.6-91.400124.3
134Q33.2Very low35.9Very low155 Ų155136.3 Ų136.372%0.72480%0.795SS**  82.8133.3117.5-139.774.224.100123.9
135S32.5Very low35.7Very low104 Ų104138.2 Ų138.273%0.72781%0.808SS**  trans66.7112163.2-72.40000118.6
136A29.8Very low35.4Very low95 Ų95135 Ų13579%0.78581%0.806SS**  83.5102.951.100000114.1
137I36.1Very low35.1Very low172 Ų172135.4 Ų135.488%0.88281%0.81SS**  trans-118.7127.4170.536.1167.6000108.8
138P42.6Very low34.3Very low119 Ų119135.7 Ų135.777%0.77382%0.815SS**  trans-95.9122.6171.533-28.1000111.6
139S32.6Very low33.9Very low122 Ų122130.8 Ų130.885%0.85381%0.807SS**  trans-72.1145.7157.3-55.10000109.8
140T33.3Very low33.4Very low138 Ų138133.1 Ų133.185%0.84781%0.809SS**  trans-125.8130.6165.647.10000111.5
141S30.9Very low33.1Very low115 Ų115132.1 Ų132.180%0.80480%0.803SS**  trans-80.3160.5-178.4-65.10000113.2
142I33.9Very low33Very low151 Ų151138.2 Ų138.277%0.77481%0.812SS**  trans-55.9138.6168.6-62.6167.4000111.2
143Y30.9Very low32.6Very low227 Ų227134.3 Ų134.389%0.8981%0.811SS**  trans-128.8129.4154.6-97.5-86.4000109.8
144S31.9Very low33Very low111 Ų111133.9 Ų133.978%0.77682%0.816SS**  trans-91.4137.7173-56.80000110.5
145S29.3Very low33.3Very low129 Ų129132.7 Ų132.790%0.90282%0.822SS**  trans-154.7147.6154.152.30000111.8
146S34.7Very low33.3Very low120 Ų120133.1 Ų133.184%0.83983%0.825SS**  trans-97.7147-16751.40000113.8
147A32.6Very low33.8Very low105 Ų105134 Ų13487%0.86883%0.826SS**  trans-156.6139.2151.100000112
148S34.3Very low33.8Very low131 Ų131134.4 Ų134.492%0.91682%0.824SS**  trans-86.5162.2-179.4-47.70000113.1
149G31.2Very low33.4Very low62 Ų62132 Ų13264%0.63982%0.821SS**  trans161.3104.5154.400000119.4
150Y31.6Very low33.5Very low225 Ų225131 Ų13188%0.88281%0.813SS**  trans51.8114.7141-64.5-79.4000123.9
151S30.5Very low33.7Very low105 Ų105132.6 Ų132.673%0.73482%0.816SS**  54.4113.1121.3-55.20000124
152Q32.6Very low33.9Very low198 Ų198130.9 Ų130.993%0.92581%0.809SS**  47.6118.5117.7-165.7-170.2103.700120.9
153A27.6Very low33.8Very low97 Ų97132.9 Ų132.980%0.80282%0.815SS**  trans-163.8140.5135.300000112.3
154T40.1Very low33.8Very low130 Ų130125 Ų12580%0.79880%0.803SS**  trans-80.1171.6163.250.60000110.6
155P40.7Very low34.7Very low131 Ų131125.7 Ų125.785%0.85181%0.805SS**  -136.3148110.836.3-27.1000114.3
156S31.8Very low35.2Very low112 Ų112131.1 Ų131.178%0.78381%0.806SS**  trans-132.6124.4163.8179.40000107.4
157S39.8Very low35.3Very low115 Ų115130.1 Ų130.180%0.80480%0.804SS**  trans174.1159.3164.5-80.60000110.6
158Q36.2Very low35.3Very low179 Ų179128.6 Ų128.684%0.83680%0.799SS**  cis-174.3123.7-33.5-177.4173.91700108.5
159G34.1Very low35.5Very low69 Ų69133.7 Ų133.771%0.71180%0.8SS**  trans75.4172.1148.400000120.4
160S35.4Very low35.6Very low100 Ų100133.6 Ų133.670%0.69980%0.799SS**  cis-171.8168-12.5-83.90000111.1
161L36.8Very low35.8Very low172 Ų172128.8 Ų128.890%0.90180%0.798SS**  trans74.8140.4159.8-44.4-174.1000117
162A36.7Very low35.9Very low80 Ų80128.7 Ų128.766%0.66180%0.798SS**  cis-160.9-173.1-15.200000107.5
163Q31.3Very low36Very low192 Ų192124.4 Ų124.490%0.89779%0.789SS**  cis-152.4-159.96.5-160.5135.8-55.400110.1
164G31.8Very low36.4Very low62 Ų62125.2 Ų125.264%0.63979%0.789SS**  trans-122.6-148.4174.200000113.1
165P49.5Very low36.1Very low125 Ų125125 Ų12581%0.81279%0.793SS**  cis-145.3146.77.740.8-20.5000119.6
166R39.1Very low36Very low244 Ų244124 Ų12492%0.92179%0.789SS**  46.8128.3127.7-174.2-178.5178.6-138.8-1123.3
167A36.7Very low36.2Very low98 Ų98124.3 Ų124.381%0.8179%0.791SS**  -173.8131.8122.700000115.2
168G34.6Very low36.2Very low74 Ų74125.2 Ų125.276%0.76379%0.792SS**  trans70.8-179.5164.700000118.2
169Y37.1Very low36.9Very low238 Ų238122.7 Ų122.793%0.93379%0.791SS**  cis-163.5163.8-42.169.2-99.5000108.9
170G32.7Very low37.1Very low60 Ų60124.6 Ų124.662%0.61979%0.794SS**  cis163.5129.2-11.700000112.9
171S36Very low37.1Very low124 Ų124125 Ų12587%0.86780%0.797SS**  trans65.9156.2177.9-57.50000117.4
172S33.8Very low37.3Very low103 Ų103122.1 Ų122.172%0.7279%0.791SS**  cis-169160.7-23.8-90.30000111.1
173S33.3Very low37.1Very low107 Ų107124.2 Ų124.275%0.74880%0.801SS**  trans63.4113.8150.954.80000123.7
174S37.5Very low37.3Very low115 Ų115120.8 Ų120.880%0.80480%0.798SS**  45.7123.9116.6-41.50000122.6
175S33.4Very low38.3Very low126 Ų126124.1 Ų124.188%0.88181%0.808SS**  179158.6116.142.40000114.1
176S38.5Very low37.5Very low108 Ų108121.6 Ų121.676%0.75581%0.805SS**  trans-78.8156.4177.249.40000114.1
177S35Very low37.4Very low119 Ų119115.7 Ų115.783%0.83280%0.801SS**  trans178.9139.7130.9-78.60000113.1
178T40.7Very low37.2Very low134 Ų134118.2 Ų118.282%0.82280%0.801SS**  trans-86.7161.9154.347.30000109.6
179P50.1Low37.5Very low127 Ų127122.1 Ų122.183%0.82580%0.804SS**  -147.6179.710637.7-20.8000115
180S38.3Very low37.5Very low108 Ų108117.3 Ų117.376%0.75579%0.794SS**  trans-96.3177.1-169.5-480000115.1
181S36Very low37.9Very low110 Ų110120.3 Ų120.377%0.76980%0.8SS**  trans106.1109.6144.4710000121.4
182S40.4Very low37.8Very low110 Ų110122.6 Ų122.677%0.76980%0.797SS**  trans46.1117135.760.60000122.9
183S32.5Very low37.8Very low125 Ų125125.8 Ų125.887%0.87481%0.805SS**  -171135.3125.538.50000113
184S37.4Very low37.7Very low119 Ų119125.7 Ų125.783%0.83281%0.805SS**  trans-115.6177.8161.8-52.30000107.2
185P51.5Low37.5Very low132 Ų132129 Ų12986%0.85781%0.807SS**  cis-128.2-179.5-7.940.9-25.8000113.1
186G33.9Very low37.7Very low73 Ų73129.7 Ų129.775%0.75381%0.806SS**  trans167.277.5163.700000118.8
187S35.6Very low37.7Very low119 Ų119128.4 Ų128.483%0.83280%0.802SS**  trans-148.9109.2154.2-61.80000110.1
188N32.7Very low38.1Very low152 Ų152131.8 Ų131.881%0.81381%0.807SS**  trans-93.2115.2171.7-161.5-63000108.2
189L41.2Very low38.3Very low156 Ų156134.5 Ų134.582%0.81781%0.812SS**  trans-125.486.3171.5-78.2177.4000110V191L189-V191 PolarHBondContact O-N 2.92Å
190N37.3Very low38Very low137 Ų137135.2 Ų135.273%0.73380%0.804SS**  trans-69.6103.3162.9172.415.4000110
191V40.3Very low37.9Very low122 Ų122138.1 Ų138.174%0.73981%0.806SS**  trans-13978.8160.7-77.80000111L189 L193L189-V191 PolarHBondContact O-N 2.92Å; V191-L193 PolarHBondContact O-N 3.43Å
192Q35.1Very low37.9Very low172 Ų172139.6 Ų139.680%0.80480%0.801SS**  trans28.389.2141.7-163.6166.314.800117.4S194Q192-S194 PolarHBondContact O-N 3.47Å
193L32.9Very low37.4Very low171 Ų171140.1 Ų140.190%0.89580%0.804SS**  trans-65112.1163-107.789000109.9V191 Q195V191-L193 PolarHBondContact O-N 3.43Å; L193-Q195 PolarHBondContact O-N 2.93Å
194S31Very low37.3Very low105 Ų105138.8 Ų138.873%0.73480%0.801SS**  trans-76.2112.3161.5-70.90000109.4Q192 V196Q192-S194 PolarHBondContact O-N 3.47Å; S194-V196 PolarHBondContact O-N 3.44Å
195Q33.6Very low37.5Very low183 Ų183138.6 Ų138.686%0.85580%0.797SS**  trans-60.5129.6164.4-68.6175.2400109.4L193L193-Q195 PolarHBondContact O-N 2.93Å
196V38.2Very low36.6Very low142 Ų142138.1 Ų138.186%0.86180%0.797SS**  trans-102.2108.7155.31780000106.7S194S194-V196 PolarHBondContact O-N 3.44Å
197A37.5Very low36.5Very low80 Ų80143 Ų14366%0.66180%0.8SS**PPolyproline II helixtrans-70.4153.3178.900000111.7M199A197-M199 PolarHBondContact O-N 2.99Å
198M43.5Very low36.1Very low191 Ų191145.7 Ų145.794%0.94180%0.799SS**PPolyproline II helixtrans-62.7126.4177.7-62.2-178.4-7600111.3
199M45.5Very low35.8Very low190 Ų190144.6 Ų144.694%0.93680%0.803SS**PPolyproline II helixtrans-97118.1165.9-85.7-72.7-8100110.5A197A197-M199 PolarHBondContact O-N 2.99Å
200H44.3Very low35.2Very low143 Ų143142.2 Ų142.266%0.66280%0.8SS**PPolyproline II helixtrans-89132.8-179.1163.3113.5000111.3Q202H200-Q202 PolarHBondContact NE2-NE2 2.74Å; H200-Q202 VanDerWaalsContact NE2-NE2 3.17Å
201Q36.3Very low34.8Very low169 Ų169140.8 Ų140.879%0.7980%0.796SS**  trans-178.8114.6144.4-104.4-168.178.300108.8
202Q35Very low34.6Very low140 Ų140143.5 Ų143.565%0.65480%0.8SS**  86.6104.980.6-78.1-171.831.400115.3H200H200-Q202 PolarHBondContact NE2-NE2 2.74Å; H200-Q202 VanDerWaalsContact NE2-NE2 3.17Å
203S29.8Very low34.3Very low121 Ų121140.5 Ų140.585%0.84680%0.798SS**  trans19.8124.9142.7-49.40000121
204A30.9Very low34.2Very low97 Ų97137.2 Ų137.280%0.80280%0.796SS**  trans-104.3134.2155.800000110.2
205P41.3Very low34.4Very low116 Ų116135.1 Ų135.175%0.75379%0.791SS**  trans-87.4150.2178.734.1-34.1000112.9
206S33.3Very low34.3Very low122 Ų122134.4 Ų134.485%0.85379%0.787SS**  trans-66.4138.2167.6-48.50000111.1
207Q30.4Very low34.1Very low175 Ų175137.3 Ų137.382%0.81878%0.784SS**  trans-136139.7166.4-77.1-67.79.500111.8
208H28.1Very low34Very low176 Ų176143.1 Ų143.182%0.81580%0.797SS**  trans-61.9160174.6-89-117.9000112.2
209S25.7Very low33.6Very low129 Ų129137.5 Ų137.590%0.90279%0.789SS**  trans-145.4134.7151.8-78.30000110.9
210S28.7Very low33.4Very low106 Ų106136.6 Ų136.674%0.74178%0.782SS**  trans-128.1121-171.1-175.50000109.4
211V29.8Very low33.3Very low107 Ų107137.8 Ų137.865%0.64879%0.788SS**  trans44.3143.5151.8-153.60000121.1
212H35.7Very low33.3Very low179 Ų179134.2 Ų134.283%0.82979%0.787SS**  trans85.1154164.6-46.7100.6000117.2
213S29.3Very low33.5Very low108 Ų108136.5 Ų136.576%0.75580%0.801SS**  cis-172155.4-33-172.10000109.3
214A30.7Very low33.9Very low103 Ų103134 Ų13485%0.85179%0.794SS**  trans63.9131.416000000120.9
215G34.8Very low34.3Very low61 Ų61138 Ų13863%0.62980%0.798SS**  trans-175.8153.5171.600000112.4
216Q32.2Very low34.4Very low168 Ų168141 Ų14179%0.78580%0.804SS**  trans-150.5126.7-169.5-68.5-68.9-77.600113.7
217Y34Very low34.7Very low203 Ų203139.6 Ų139.680%0.79680%0.8SS**  trans36.5148145.5-62.5-92000126
218Q34.2Very low35.1Very low201 Ų201140 Ų14094%0.93980%0.802SS**  trans110.6130.6131.9-157.1158.3-29.800119.9
219G34.8Very low35.4Very low74 Ų74136.3 Ų136.376%0.76380%0.802SS**  trans143.8141.5168.100000114.9
220Q43.3Very low36.1Very low171 Ų171134.9 Ų134.980%0.79979%0.792SS**  trans-157.4157.5-165.8-158-168.754.200113.5
221Q40.9Very low36.5Very low167 Ų167138.9 Ų138.978%0.7880%0.799SS**  trans98.9135.9152.8-48.8-16723.800123.5
222A35.7Very low36.7Very low94 Ų94137.3 Ų137.378%0.77781%0.805SS**  trans95.598.6134.100000125.1
223M39.3Very low37Very low189 Ų189136.4 Ų136.493%0.93181%0.806SS**  88.3126108.1-158.2162.2-132.900124.7
224G38Very low37.8Very low68 Ų68136.8 Ų136.870%0.70181%0.808SS**  trans90.1154.1152.400000118.1
225M41.1Very low38.3Very low182 Ų182140.6 Ų140.690%0.89781%0.811SS**  cis-159.4150.2-16.1-89.2-169-17900110.5
226M42.7Very low39Very low177 Ų177146.2 Ų146.287%0.87282%0.823SS**  trans24.9120.5146.1-168.3-178.3-62.200123.3
227A38.4Very low39.6Very low94 Ų94144 Ų14478%0.77782%0.823SS**  trans-176.6117.3136.900000107.6
228Q39.7Very low39.9Very low182 Ų182143.3 Ų143.385%0.8583%0.827SS**  78.4123.756.3-164.3176.420.100114.7
229A35Very low40.1Very low99 Ų99144.4 Ų144.482%0.81882%0.822SS**  trans67.5157171.100000117
230S39.2Very low40.4Very low99 Ų99147 Ų14769%0.69283%0.826SS**  cis-173.3160-27.2-177.90000107.4
231Q37Very low40.2Very low191 Ų191146.1 Ų146.189%0.89382%0.824SS**  trans68.9143.6175.9-39.6-178.934.500114.8
232G35.2Very low39.9Very low74 Ų74140.6 Ų140.676%0.76381%0.811SS**  cis178.9128.5-9.500000111.9
233N41.3Very low39.8Very low160 Ų160142 Ų14286%0.85682%0.815SS**  trans52.9153.6165-95.614000123.6
234S46.7Very low39.4Very low115 Ų115142.7 Ų142.780%0.80481%0.809SS**  trans75.664.1162.3-61.40000119.2
235M40.4Very low39.1Very low183 Ų183150 Ų15090%0.90182%0.816SS**  trans-136.3118150.5-45.8-170.3-162.700109.4
236M49.6Very low38.5Very low179 Ų179145.9 Ų145.988%0.88280%0.804SS**  trans-66139.9166.7-67.1-167.2-168.800108.7Q238M236-Q238 PolarHBondContact O-N 3.08Å
237P45.1Very low38.3Very low121 Ų121140.3 Ų140.379%0.78678%0.782SS**  trans-68.9101.1173.827.9-32.6000109.6R239P237-R239 PolarHBondContact O-N 2.82Å
238Q41Very low38.5Very low190 Ų190143.9 Ų143.989%0.88878%0.783SS**  trans-57.5111.8160.8-86-173.6-10.500107.7M236M236-Q238 PolarHBondContact O-N 3.08Å
239R38.6Very low38.4Very low223 Ų223142.8 Ų142.884%0.84278%0.777SS**  trans-63.1134.1171.1-62.5-170.2-68.9-115.84.2107.8P237 M241P237-R239 PolarHBondContact O-N 2.82Å; R239-M241 PolarHBondContact O-N 3.29Å; R239-M241 VanDerWaalsContact O-N 3.14Å
240P39.5Very low38.4Very low128 Ų128144.2 Ų144.283%0.83177%0.767SS**  trans-55.8123.2175.6-24.133.5000109.9G242P240-G242 VanDerWaalsContact C-N 3.27Å; P240-G242 PolarHBondContact O-N 2.9Å
241M39.3Very low38.7Very low154 Ų154145.4 Ų145.476%0.75976%0.76SS**  trans-66.592.3166.9-81-75.1-71.600107.6R239 Y244R239-M241 PolarHBondContact O-N 3.29Å; R239-M241 VanDerWaalsContact O-N 3.14Å; M241-Y244 HydrophobicContact CE-CD2 4.09Å; M241-Y244 HydrophobicContact CE-CE2 3.85Å; M241-Y244 HydrophobicContact SD-CE2 4.03Å
242G34.9Very low39.4Very low50 Ų50140 Ų14052%0.51574%0.74SS.*  trans-57.7141.1167.800000109.4P240 Y244P240-G242 VanDerWaalsContact C-N 3.27Å; P240-G242 PolarHBondContact O-N 2.9Å; G242-Y244 WeakPolarHBondContact O-CD2 3.37Å; G242-Y244 PolarHBondContact O-N 3.35Å
243S33.6Very low39.9Very low124 Ų124141.4 Ų141.487%0.86773%0.727SS**  trans-55.8107.6175.9-64.80000110.1R245S243-R245 PolarHBondContact O-N 3.33Å
244Y30.4Very low40.1Very low203 Ų203140.4 Ų140.480%0.79672%0.717SS**  trans-69.969.3169.1-72.7-83.1000110.1M241 G242 C246M241-Y244 HydrophobicContact CE-CD2 4.09Å; M241-Y244 HydrophobicContact CE-CE2 3.85Å; M241-Y244 HydrophobicContact SD-CE2 4.03Å; G242-Y244 WeakPolarHBondContact O-CD2 3.37Å; G242-Y244 PolarHBondContact O-N 3.35Å; Y244-C246 VanDerWaalsContact C-N 3.28Å; Y244-C246 PolarHBondContact O-N 3.4Å; Y244-C246 VanDerWaalsContact O-N 3.14Å
245R32.9Very low39.8Very low222 Ų222137.2 Ų137.284%0.83869%0.694SS**  trans-78.688.2157.6-159.2-163.9-159.2-71.81.2106.7S243 S247S243-R245 PolarHBondContact O-N 3.33Å; R245-S247 PolarHBondContact O-N 3.35Å
246C28.8Very low40.4Very low96 Ų96133.9 Ų133.965%0.64968%0.677SS**  trans-55.6125.2170.6-177.60000109Y244 Q248Y244-C246 VanDerWaalsContact C-N 3.28Å; Y244-C246 PolarHBondContact O-N 3.4Å; Y244-C246 VanDerWaalsContact O-N 3.14Å; C246-Q248 PolarHBondContact O-N 3.19Å
247S37.8Very low40.4Very low60 Ų60131.1 Ų131.142%0.4266%0.662SS.*  trans-72.680.7168.341.90000108.9R245 Q249 E250R245-S247 PolarHBondContact O-N 3.35Å; S247-Q249 PolarHBondContact O-N 3.05Å; S247-E250 WeakPolarHBondContact CB-OE2 3.27Å; S247-E250 PolarHBondContact O-N 3.34Å; S247-E250 VanDerWaalsContact O-N 3.11Å; S247-E250 PolarHBondContact OG-OE2 3.45Å
248Q42.4Very low40.5Very low168 Ų168131.2 Ų131.279%0.78565%0.653SS**THydrogen-bonded Turntrans-53.3-15.1178.9-171.7175.775.700113.7C246C246-Q248 PolarHBondContact O-N 3.19Å
249Q38.8Very low40.9Very low159 Ų159128.1 Ų128.174%0.74364%0.642SS**THydrogen-bonded Turntrans-84.1-38.4179.8-155.6160.714.400113.4S247 V252 Q253S247-Q249 PolarHBondContact O-N 3.05Å; Q249-V252 PolarHBondContact O-N 3.38Å; Q249-Q253 PolarHBondContact O-OE1 3.35Å
250E33.7Very low41.4Very low129 Ų129123.9 Ų123.960%0.60363%0.632SS**Hα-helixtrans-74.3-32.3-179.1-79.3167.4106.300112.9S247 V252 Q253 H254S247-E250 WeakPolarHBondContact CB-OE2 3.27Å; S247-E250 PolarHBondContact O-N 3.34Å; S247-E250 VanDerWaalsContact O-N 3.11Å; S247-E250 PolarHBondContact OG-OE2 3.45Å; E250-V252 PolarHBondContact O-N 3.06Å; E250-Q253 PolarHBondContact O-N 2.95Å; E250-H254 PolarHBondContact O-N 3.3Å
251F45.9Very low41.6Very low125 Ų125127.4 Ų127.455%0.54863%0.629SS.*Hα-helixtrans-60.9-32.1176.1-172.7-103.1000112.2C255F251-C255 WeakPolarHBondContact O-CB 3.47Å; F251-C255 PolarHBondContact O-N 2.91Å
252V52.4Low41.8Very low78 Ų78128.8 Ų128.847%0.47363%0.627SS.*Hα-helixtrans-72.8-39.3177.4179.50000111.7Q249 E250 M256Q249-V252 PolarHBondContact O-N 3.38Å; E250-V252 PolarHBondContact O-N 3.06Å; V252-M256 HydrophobicContact CG1-CE 4.08Å; V252-M256 PolarHBondContact O-N 3.2Å
253Q44.5Very low42.5Very low103 Ų103128.7 Ų128.748%0.48163%0.625SS.*Hα-helixtrans-60.9-54.1170.7-9870.588.500110.7Q249 E250 C255 M256 E257Q249-Q253 PolarHBondContact O-OE1 3.35Å; E250-Q253 PolarHBondContact O-N 2.95Å; Q253-C255 PolarHBondContact O-N 3.34Å; Q253-M256 PolarHBondContact O-N 3.22Å; Q253-E257 PolarHBondContact O-N 2.71Å
254H45.2Very low43Very low138 Ų138131 Ų13164%0.63962%0.624SS**Hα-helixtrans-67.4-23.7-172.7-144.5-60.7000113.5E250 Q258E250-H254 PolarHBondContact O-N 3.3Å; H254-Q258 WeakPolarHBondContact O-CB 3.45Å; H254-Q258 PolarHBondContact O-N 3.06Å
255C41.5Very low43.7Very low49 Ų49128.7 Ų128.733%0.33162%0.621SS.*Hα-helixtrans-81.6-25.9174-1650000113.4F251 Q253F251-C255 WeakPolarHBondContact O-CB 3.47Å; F251-C255 PolarHBondContact O-N 2.91Å; Q253-C255 PolarHBondContact O-N 3.34Å
256M51.5Low44.4Very low112 Ų112128.8 Ų128.855%0.55262%0.623SS**Hα-helixtrans-74.6-49.4169.1-86.1-169.2-79.900111.1V252 Q253 Q258 N259 E260V252-M256 HydrophobicContact CG1-CE 4.08Å; V252-M256 PolarHBondContact O-N 3.2Å; Q253-M256 PolarHBondContact O-N 3.22Å; M256-Q258 VanDerWaalsContact C-N 3.28Å; M256-Q258 PolarHBondContact O-N 2.76Å; M256-N259 WeakPolarHBondContact O-CB 3.42Å; M256-N259 PolarHBondContact O-N 3.46Å; M256-E260 PolarHBondContact O-N 3.02Å
257E50.1Low44.8Very low121 Ų121127 Ų12757%0.56562%0.62SS**Hα-helixtrans-59.2-36.5-179-110.1176.7106.300112.9Q253 N259 R261Q253-E257 PolarHBondContact O-N 2.71Å; E257-N259 VanDerWaalsContact C-N 3.32Å; E257-N259 PolarHBondContact O-N 2.69Å; E257-R261 VanDerWaalsContact O-CG 3.25Å; E257-R261 WeakPolarHBondContact O-CG 3.33Å; E257-R261 PolarHBondContact O-N 3.17Å
258Q48.3Very low45Very low124 Ų124133.3 Ų133.358%0.57964%0.643SS**Hα-helixtrans-68.8-31.1177.1-165.917964.500112.6H254 M256 R261 Y262H254-Q258 WeakPolarHBondContact O-CB 3.45Å; H254-Q258 PolarHBondContact O-N 3.06Å; M256-Q258 VanDerWaalsContact C-N 3.28Å; M256-Q258 PolarHBondContact O-N 2.76Å; Q258-R261 PolarHBondContact O-N 2.98Å; Q258-Y262 PolarHBondContact O-N 3.15Å
259N48.8Very low44.6Very low125 Ų125132 Ų13267%0.66865%0.646SS**Hα-helixtrans-73-39.1-179.7-156.916.4000111.2M256 E257 R261 Y262 G263M256-N259 WeakPolarHBondContact O-CB 3.42Å; M256-N259 PolarHBondContact O-N 3.46Å; E257-N259 VanDerWaalsContact C-N 3.32Å; E257-N259 PolarHBondContact O-N 2.69Å; N259-R261 VanDerWaalsContact C-N 3.34Å; N259-R261 PolarHBondContact O-N 2.91Å; N259-Y262 PolarHBondContact O-N 3.02Å; N259-G263 PolarHBondContact O-N 2.68Å
260E48.5Very low44.6Very low134 Ų134133.6 Ų133.663%0.62665%0.654SS**Hα-helixtrans-64.2-38.7173.1-65.2175.4128.700111.7M256 Y262 G263 M264M256-E260 PolarHBondContact O-N 3.02Å; E260-Y262 VanDerWaalsContact C-N 3.31Å; E260-Y262 PolarHBondContact O-N 3.12Å; E260-G263 PolarHBondContact O-N 2.98Å; E260-M264 WeakPolarHBondContact O-CG 3.31Å
261R44.5Very low44.4Very low202 Ų202133.5 Ų133.576%0.76267%0.668SS**Hα-helixtrans-68.7-23.6176.7-70.4-68.1-62.5-96.3-1.4114.2E257 Q258 N259E257-R261 VanDerWaalsContact O-CG 3.25Å; E257-R261 WeakPolarHBondContact O-CG 3.33Å; E257-R261 PolarHBondContact O-N 3.17Å; Q258-R261 PolarHBondContact O-N 2.98Å; N259-R261 VanDerWaalsContact C-N 3.34Å; N259-R261 PolarHBondContact O-N 2.91Å
262Y42.3Very low43.8Very low183 Ų183132.3 Ų132.372%0.71868%0.675SS**Hα-helixtrans-92.2-29.9174.4-102.9-91.4000113.6Q258 N259 E260 M264 Q265Q258-Y262 PolarHBondContact O-N 3.15Å; N259-Y262 PolarHBondContact O-N 3.02Å; E260-Y262 VanDerWaalsContact C-N 3.31Å; E260-Y262 PolarHBondContact O-N 3.12Å; Y262-M264 VanDerWaalsContact C-N 3.27Å; Y262-M264 PolarHBondContact O-N 3.41Å; Y262-Q265 PolarHBondContact O-N 2.64Å
263G50.5Low42.9Very low47 Ų47135 Ų13549%0.48569%0.692SS.*Hα-helixtrans-62.4-31.5176.200000114N259 E260 Q265N259-G263 PolarHBondContact O-N 2.68Å; E260-G263 PolarHBondContact O-N 2.98Å; G263-Q265 PolarHBondContact O-N 2.86Å
264M43.3Very low42.4Very low173 Ų173138.4 Ų138.485%0.85271%0.708SS**THydrogen-bonded Turntrans-65-18.7-179.4-71.4-88.8-78.300114.7E260 Y262E260-M264 WeakPolarHBondContact O-CG 3.31Å; Y262-M264 VanDerWaalsContact C-N 3.27Å; Y262-M264 PolarHBondContact O-N 3.41Å
265Q45.2Very low42.1Very low155 Ų155138 Ų13872%0.72472%0.717SS**THydrogen-bonded Turntrans-91-18.2-173-164.574.863.200113.6Y262 G263Y262-Q265 PolarHBondContact O-N 2.64Å; G263-Q265 PolarHBondContact O-N 2.86Å
266Y49.3Very low41.8Very low223 Ų223142.2 Ų142.288%0.87574%0.735SS**SBendtrans-135.822.9-171-87.7-84.2000114.4
267G37.2Very low40.9Very low58 Ų58143.4 Ų143.460%0.59874%0.744SS**  trans-107.735-174.100000116.6
268H41.3Very low40Very low193 Ų193145.8 Ų145.889%0.89476%0.755SS**  trans-120.878.5177.9-86.7-11.7000113.4
269T34Very low39.2Very low140 Ų140147.9 Ų147.986%0.85976%0.764SS**  trans-129.8123.7150.851.30000108.2
270Q38.8Very low38.2Very low193 Ų193151.8 Ų151.890%0.90277%0.771SS**  trans-66.1139.3-171.4-58.2179.91700112.3
271S29.3Very low37.5Very low128 Ų128154.7 Ų154.790%0.89578%0.778SS**  trans-146.576.4148.8-1650000108.1
272S32.8Very low37Very low100 Ų100150 Ų15070%0.69978%0.782SS**  trans-107.8113.8173.7-179.30000108.8
273T34.3Very low36.3Very low134 Ų134149 Ų14982%0.82279%0.789SS**  trans-16282.9160.311.10000109.6
274E33.5Very low35.3Very low175 Ų175149.3 Ų149.382%0.81879%0.793SS**  trans-70.2136.7156.8-66.8176.2101.100109.2I276E274-I276 PolarHBondContact O-N 2.83Å; E274-I276 VanDerWaalsContact O-N 3.15Å
275P39.5Very low35Very low129 Ų129150 Ų15084%0.83880%0.799SS**  trans-80.890.6167.631.7-30.9000109.4N277P275-N277 PolarHBondContact O-N 3.15Å
276I35.8Very low34.4Very low138 Ų138145.9 Ų145.971%0.70880%0.798SS**  trans-71.1120.8173.3-162.7164.5000110.2E274 Q278E274-I276 PolarHBondContact O-N 2.83Å; E274-I276 VanDerWaalsContact O-N 3.15Å; I276-Q278 PolarHBondContact O-N 3.33Å
277N30.7Very low33.6Very low136 Ų136143.4 Ų143.473%0.72780%0.795SS**  trans-70.2116.9177.9-173.5-57.7000109.6P275P275-N277 PolarHBondContact O-N 3.15Å
278Q31.4Very low33.5Very low172 Ų172149 Ų14980%0.80480%0.799SS**  trans-131.7108.1169.4-77-174.292.700109.8I276I276-Q278 PolarHBondContact O-N 3.33Å
279Q31.6Very low32.9Very low167 Ų167146 Ų14678%0.7880%0.8SS**  trans-113.196177.7176.9170.6-17.400109
280Y27.8Very low33.1Very low208 Ų208148.7 Ų148.782%0.81680%0.796SS**  trans-161117.2160.6-136.3-108.1000113.1
281Y34.2Very low32.6Very low194 Ų194147.8 Ų147.876%0.76179%0.791SS**  trans33.4121.3158.6-73.8-93.4000122.2
282A33.3Very low32.6Very low104 Ų104149.1 Ų149.186%0.8679%0.788SS**  -157.2147.4112.100000111.4
283D28.5Very low32.5Very low161 Ų161150.5 Ų150.586%0.86180%0.798SS**  trans-84.7162.8-173-133.1-56000113.5
284G30.1Very low32.4Very low54 Ų54149.7 Ų149.756%0.55780%0.797SS**  trans95.7117.3139.900000120.7
285L36.8Very low32.2Very low187 Ų187152.3 Ų152.398%0.97980%0.801SS**  trans77.9143.9146.5-48.1179.2000118.1
286G33.3Very low31.9Very low69 Ų69149.6 Ų149.671%0.71180%0.796SS**  trans-125.5-147.2178.700000112.4
287E31.9Very low31.6Very low172 Ų172150.9 Ų150.980%0.80481%0.805SS**  trans84122.9179.8-59-141.4138.500118
288Y34.2Very low31.7Very low174 Ų174152.5 Ų152.568%0.68281%0.808SS**  trans50.7103.8161.7-60.1-73.8000121.6Y290Y288-Y290 HydrophobicContact CD1-CD2 4.19Å; Y288-Y290 HydrophobicContact CD1-CE2 4.12Å; Y288-Y290 HydrophobicContact CE1-CE2 4.08Å
289S29Very low31.9Very low131 Ų131147.2 Ų147.292%0.91680%0.8SS**  -149.6108.7126.5-84.60000111.3
290Y37.8Very low32Very low196 Ų196149.7 Ų149.777%0.76980%0.804SS**  trans-87.8122.3166.8-79.1-90.7000109.5Y288Y288-Y290 HydrophobicContact CD1-CD2 4.19Å; Y288-Y290 HydrophobicContact CD1-CE2 4.12Å; Y288-Y290 HydrophobicContact CE1-CE2 4.08Å
291Q28.3Very low32.6Very low174 Ų174146.7 Ų146.781%0.81380%0.802SS**  trans-164.1115.2141.2-13078.47800111.8
292L30.8Very low32.6Very low156 Ų156147.8 Ų147.882%0.81780%0.804SS**  trans36115.1153.9-84.259000120
293S30Very low32.9Very low130 Ų130148.1 Ų148.191%0.90980%0.801SS**  trans-147.5156.2145.2-85.30000111.8
294S31.1Very low33.3Very low116 Ų116147.6 Ų147.681%0.81180%0.797SS**  trans-69.5159.2-161.1-164.10000115G296S294-G296 PolarHBondContact O-N 3.31Å
295Y30.2Very low33.6Very low231 Ų231152.3 Ų152.391%0.90681%0.809SS**  trans-23.8123.6171.8-90.6-103.5000115.4
296G33.3Very low33.4Very low71 Ų71152 Ų15273%0.73280%0.803SS**  trans-84.9136.4161.100000110.7S294S294-G296 PolarHBondContact O-N 3.31Å
297D29.6Very low33.5Very low166 Ų166154 Ų15489%0.88881%0.806SS**  trans-101.4114.2160.5-165.564.1000107.1
298Q32.8Very low33.6Very low169 Ų169149.3 Ų149.379%0.7979%0.792SS**  trans-125.2141.5177.5-91.6-72.97.500108.5
299G34.4Very low33.7Very low62 Ų62150.2 Ų150.264%0.63980%0.802SS**  trans-56151.6-157.200000117.2
300Y33.6Very low33.9Very low219 Ų219150.7 Ų150.786%0.85979%0.79SS**  trans-120.398.4155-77.3-79.8000109.6
301D42.3Very low33.6Very low144 Ų144152.4 Ų152.477%0.7780%0.797SS**  trans-56.2131.1147.5-169-58.9000107.7S303D301-S303 PolarHBondContact OD1-N 3.23Å
302R33.1Very low33.8Very low217 Ų217152.3 Ų152.382%0.81979%0.79SS**  trans-143.268.2171.2-159.9-161.6-72.2-154.30.4111.8
303S39.7Very low33.9Very low112 Ų112153.1 Ų153.178%0.78379%0.79SS**  trans-88.785.5149.3-62.30000109.7D301D301-S303 PolarHBondContact OD1-N 3.23Å
304L36.8Very low33.9Very low150 Ų150150.6 Ų150.679%0.78578%0.784SS**  trans-152.1107.2166.6-145.3135.9000113.2
305D36.6Very low34Very low152 Ų152149 Ų14981%0.81379%0.787SS**  trans45.8141.2141-138.3-128000122.6
306E33.3Very low34.3Very low182 Ų182145.3 Ų145.385%0.8578%0.782SS**  trans-85.3109.2-169.8-169.1159.2104.300112.3
307S34.8Very low34.4Very low109 Ų109147.3 Ų147.376%0.76279%0.785SS**  trans-170.6145.8159.9-95.50000113.2
308S34.2Very low34.7Very low74 Ų74147.5 Ų147.552%0.51778%0.781SS.*  cis-161.3127.4-15.8-103.40000107.4
309Q35.2Very low34.6Very low193 Ų193149.7 Ų149.790%0.90278%0.783SS**  trans-128.9113.3154.8-86.2-65.59.600108.6
310H34.1Very low34.5Very low141 Ų141153 Ų15365%0.65379%0.786SS**  trans-81.6136.5-169.9-66.7-105.5000111.3
311Y31.3Very low34.5Very low232 Ų232151.4 Ų151.491%0.9179%0.787SS**  trans-133.7133.3132.2-152.6-97.4000109.6
312Y33.1Very low34.2Very low173 Ų173151.4 Ų151.468%0.67878%0.782SS**  trans-55.5158.2-178-100.7-121.1000112.8
313E31.3Very low34.2Very low172 Ų172149.5 Ų149.580%0.80478%0.783SS**  cis-163.3152.813.8-162.2163-179.800111.9
314G31.5Very low33.9Very low77 Ų77148.8 Ų148.879%0.79478%0.777SS**  trans92.298.3137.200000121.7
315G32.6Very low33.6Very low84 Ų84146.5 Ų146.587%0.86677%0.774SS**  96.295.4124.100000120.2
316N37.2Very low33.2Very low153 Ų153149.5 Ų149.582%0.81878%0.775SS**  trans-75.213915717614.1000110.7
317S33.8Very low33.3Very low113 Ų113149.2 Ų149.279%0.7977%0.774SS**  trans-159.6118155.8-82.60000113.7Y319S317-Y319 PolarHBondContact O-N 3.49Å
318Q37Very low33.1Very low170 Ų170152.7 Ų152.779%0.79478%0.778SS**  trans-55.4126.6144.4-76.6171.9-114.500109.1
319Y31.5Very low32.9Very low214 Ų214155 Ų15584%0.83979%0.794SS**  167.9129.3127.5-109.7-97.5000111.6S317S317-Y319 PolarHBondContact O-N 3.49Å
320N32Very low32.8Very low132 Ų132151.3 Ų151.371%0.70679%0.79SS**  trans23.6111.2143.8-171.840.6000120.3
321Q33.5Very low32.7Very low186 Ų186148 Ų14887%0.86979%0.794SS**  trans-156.7161.8130.6-122.8-163.3111.100114.6
322Q35.1Very low32.8Very low144 Ų144145.7 Ų145.767%0.67379%0.791SS**  trans-90.4156.6-173.3-68.9165.4-19.400112.9
323Q33.5Very low32.9Very low177 Ų177145.1 Ų145.183%0.82780%0.795SS**  trans61.3144.7150.8-71.5174.438.700117.6
324S34.3Very low33Very low96 Ų96144.5 Ų144.567%0.67179%0.792SS**  cis-151.8158.6-8-76.30000106.1
325S29.9Very low33.8Very low102 Ų102145.4 Ų145.471%0.71378%0.784SS**  171.6144.479.940.70000112.1
326Y28.8Very low33.5Very low215 Ų215152.2 Ų152.284%0.84379%0.785SS**  trans10.1132.8160.6-50.5-78.9000119.9
327Q35.1Very low33.2Very low176 Ų176150.1 Ų150.182%0.82278%0.783SS**  -168.8104.768.7-163.4160.391.500109.7
328Q30.6Very low33.3Very low182 Ų182153.3 Ų153.385%0.8579%0.785SS**  7391.193-162.9177.33700116.1
329S29.6Very low33.1Very low123 Ų123152.6 Ų152.686%0.8678%0.781SS**  trans-148.2117142.8-166.80000110.1
330S32.9Very low33.1Very low115 Ų115150.2 Ų150.280%0.80478%0.778SS**  trans-75.5137.9179.746.90000111.1
331G32.9Very low33.1Very low71 Ų71153.4 Ų153.473%0.73278%0.782SS**  115.515567.300000107.7
332Q32.6Very low33.1Very low185 Ų185149.2 Ų149.286%0.86477%0.773SS**  cis-150161.56.1-92.5-80.133.900108.7
333Q35Very low33.1Very low161 Ų161147.6 Ų147.675%0.75278%0.777SS**  trans-113.9178.8163-83.9-167.48.900110.5
334Q34.6Very low33.1Very low158 Ų158148.1 Ų148.174%0.73878%0.78SS**  trans95.7156168.9-52.2-62.2-32.600115.3
335P46.9Very low33.1Very low96 Ų96152.4 Ų152.462%0.62379%0.789SS**  -138.9-173.1-72.837.6-18.8000114.4
336Y27.8Very low33Very low227 Ų227150.6 Ų150.689%0.8979%0.787SS**  trans68.1120.2159.2-102.2-90.5000120.3
337S30.3Very low33Very low110 Ų110151.2 Ų151.277%0.76979%0.789SS**  177.3148.5112.941.30000112.6
338Q34.6Very low33Very low179 Ų179148 Ų14884%0.83679%0.787SS**  trans-70.7149.4170.8-82-142.190.100111.6
339Q34.5Very low33.1Very low155 Ų155143 Ų14372%0.72478%0.783SS**  trans-140.2109.6156.4-121.4172.75900113.6
340Q30.9Very low33.6Very low165 Ų165146.2 Ų146.277%0.77179%0.785SS**  trans-77.7115.1169.8173-177.2-61.900108.9
341Y31.7Very low34.3Very low198 Ų198146 Ų14678%0.77678%0.781SS**  trans-83.7122.5174.3-98.5-93.1000111.5
342S34.4Very low34.4Very low99 Ų99151.2 Ų151.269%0.69279%0.786SS**  trans-135.7119.3167-70.80000108.2
343S33.7Very low34.3Very low109 Ų109145.5 Ų145.576%0.76278%0.777SS**  trans-15987.8167.148.30000111.1
344Q33.8Very low34.2Very low189 Ų189149.4 Ų149.488%0.88379%0.786SS**  trans-82.9117.3153.1-87.2-97.172.600108.2
345Q34.5Very low34.2Very low185 Ų185144.9 Ų144.986%0.86478%0.782SS**  trans-146.9126.8148.5-76.7-157.78.400108.4
346G29Very low34.4Very low65 Ų65146 Ų14667%0.6779%0.789SS**  trans-100.6159.9169.400000110.8
347Y28.1Very low34.5Very low227 Ų227142.2 Ų142.289%0.8978%0.784SS**  trans-143154.5156.9-115.8-85.5000111.3
348S33.9Very low34.8Very low109 Ų109145.1 Ų145.176%0.76279%0.786SS**  trans-67.6160.4-168.153.40000117.3
349G33.4Very low34.7Very low76 Ų76140.2 Ų140.278%0.78478%0.784SS**  trans160.686.2147.800000117.4
350Q40.1Very low34.6Very low191 Ų191136.9 Ų136.989%0.89379%0.791SS**  trans-86.7157.8153-90.3-166.1-22.500110.2
351P47.9Very low34.9Very low110 Ų110134.2 Ų134.271%0.71479%0.79SS**  trans-117.3152.5143.711.68.5000113.2
352Q34.9Very low35.2Very low182 Ų182129.9 Ų129.985%0.8579%0.789SS**  trans-51.8158.5166.8-65.983.3-17.600112
353G29.6Very low35.1Very low64 Ų64134.2 Ų134.266%0.6680%0.798SS**  cis124.7142.39.500000110.8
354Y33.4Very low35Very low243 Ų243138.3 Ų138.395%0.95380%0.803SS**  trans-174.1127.6157.1-114.7-80.3000109.8
355G34.8Very low34.8Very low64 Ų64134.4 Ų134.466%0.6680%0.796SS**  trans-87.7-175.1168.100000111.9
356P50.3Low34.6Very low118 Ų118133.2 Ų133.277%0.76679%0.791SS**  -151.1168.277.239.4-22000117.7
357N31.3Very low34.7Very low148 Ų148139.2 Ų139.279%0.79180%0.795SS**  trans64.8141.8153.7-84.1-6.2000119.4
358Q37.1Very low35.1Very low172 Ų172135.3 Ų135.380%0.80478%0.784SS**  cis-132.2158.8-6.9-53.9-176.410.100107.3
359G32.3Very low35.1Very low76 Ų76137.4 Ų137.478%0.78478%0.782SS**  62.7113.765.700000111.5
360G32Very low35.2Very low85 Ų85139.3 Ų139.388%0.87678%0.783SS**  cis-165.8-154.66.500000113
361S37.3Very low35Very low109 Ų109138.3 Ų138.376%0.76278%0.779SS**  trans-101.3152.6-157.1570000117.4
362S37.8Very low34.4Very low107 Ų107137.6 Ų137.675%0.74878%0.777SS**  trans71.2142.8150.7-54.20000119.1
363Q31.6Very low34.5Very low189 Ų189137.6 Ų137.688%0.88378%0.777SS**  175.9156.8124.8-88.5-65.1-9.500109.6
364F31.9Very low34.7Very low195 Ų195143.6 Ų143.686%0.85579%0.787SS**  trans-99.8170-168.8-119.7-98.6000113.9
365S29.7Very low34.8Very low107 Ų107143.2 Ų143.275%0.74879%0.786SS**  trans81.4149.8169.6-41.60000114.6
366Q30.4Very low34.8Very low160 Ų160143.4 Ų143.475%0.74879%0.787SS**  cis-175.2131.347.7-171.7172.122.900111.2
367Y31.1Very low34Very low192 Ų192143 Ų14375%0.75379%0.788SS**  trans62.5174.4154.7-77.7-128.9000118
368Q35.6Very low34.1Very low144 Ų144147.4 Ų147.467%0.67380%0.795SS**  cis-167.3130.9-42.9175.5161.872.800108.2
369Q35.1Very low33.9Very low154 Ų154149.8 Ų149.872%0.7280%0.797SS**  trans32.6114.2149.8-167177.519.800121.3
370S36.1Very low33.9Very low116 Ų116152.1 Ų152.181%0.81180%0.801SS**  trans-167.8110.2146.6-74.60000107.3
371Q34.9Very low34.2Very low169 Ų169152.9 Ų152.979%0.7979%0.793SS**  33.8126.984.3-65.1-160.277.500113.4
372S34.3Very low34.3Very low96 Ų96157.4 Ų157.467%0.67180%0.802SS**  cis-168.4155.77.348.50000109.3
373Q38.8Very low34.1Very low182 Ų182156 Ų15685%0.8580%0.804SS**  trans-163.2135.7136.9-86.5-44.4-11.300110.5
374Q33.8Very low34.2Very low189 Ų189150.5 Ų150.588%0.88380%0.798SS**PPolyproline II helixtrans-94.4137.5178.8-62.2172.5-82.900110.4
375Y34.3Very low34.7Very low236 Ų236147.8 Ų147.893%0.92580%0.8SS**PPolyproline II helixtrans-84124.3164.4-100.2-93.6000110.1
376G34.8Very low34.9Very low67 Ų67146.1 Ų146.169%0.69180%0.8SS**PPolyproline II helixtrans-82.7137.1175.500000112.9
377S34.1Very low35.1Very low111 Ų111143.8 Ų143.878%0.77681%0.808SS**PPolyproline II helixtrans-72.6143.6175.1-65.30000113.1
378Y33.6Very low35.4Very low239 Ų239143.7 Ų143.794%0.93781%0.814SS**  trans-126102152.7-71.8-72.4000111
379R31.6Very low35.5Very low223 Ų223143.6 Ų143.684%0.84282%0.824SS**  trans-103.1117.2167177.5-176.7-172-104.15.1107.2
380S34.2Very low35.6Very low125 Ų125145 Ų14587%0.87483%0.83SS**  trans-82.8132.5174.739.30000111.1
381S36.8Very low35.4Very low101 Ų101150.9 Ų150.971%0.70684%0.835SS**  trans-116.9139.7178.451.70000111.3
382Q38.9Very low35.8Very low204 Ų204148.6 Ų148.695%0.95383%0.834SS**  trans-61.3152.6172.8-72.7176.9-32.100112.9
383G35Very low35.9Very low76 Ų76154.8 Ų154.878%0.78485%0.845SS**  trans-170.7122.7161.700000112
384G32.6Very low35.8Very low75 Ų75151.8 Ų151.877%0.77384%0.844SS**  trans-85.8-164153.700000110.2
385P43Very low35.9Very low138 Ų138153 Ų15390%0.89684%0.842SS**  cis-137.7-172.614.142.5-25000115.1
386G33.8Very low36.3Very low72 Ų72151.1 Ų151.174%0.74284%0.842SS**  trans120.6105133.400000121.4
387A33.9Very low36.5Very low111 Ų111155.3 Ų155.392%0.91784%0.843SS**  trans77.2155.5139.100000122.5
388Q38.7Very low37Very low189 Ų189153.6 Ų153.688%0.88384%0.843SS**  trans-93.2160-165.8-56.1171-27.400113.5
389T37.3Very low37.5Very low142 Ų142150.6 Ų150.687%0.87184%0.837SS**  trans-165.9142133.7-75.30000110.6
390Q36.8Very low38Very low183 Ų183151.2 Ų151.286%0.85584%0.841SS**  trans-73.1151.1178.9-57.9166.26.400112.7
391R32.8Very low38.5Very low240 Ų240148.5 Ų148.591%0.90683%0.833SS**  trans-142150.7152.4-77.2-153.6-156.2-91.75.7111.5
392P43.6Very low38.5Very low121 Ų121150.8 Ų150.879%0.78684%0.837SS**  trans-92.1170.1-165.737.3-37.6000114.7
393Y36.2Very low38.7Very low226 Ų226155.9 Ų155.989%0.88685%0.85SS**  trans-58.6147.8169.8-84.3-102.8000113.1
394S37.2Very low38.9Very low120 Ų120159.9 Ų159.984%0.83985%0.853SS**  trans-131134.1157.1-73.40000109.6
395Y34.8Very low39.2Very low214 Ų214164.3 Ų164.384%0.83986%0.857SS**  trans-92.3125.1-179.4-137-95.8000108.2
396E43.1Very low39Very low196 Ų196165.8 Ų165.892%0.91686%0.855SS**  trans-95.5114.1163.1-111.5-158.7111.800109.4
397Q39.8Very low39.3Very low156 Ų156171.3 Ų171.373%0.72986%0.862SS**  trans-104.3102.6172.1-172.2-171.193.900107.6Q399Q397-Q399 PolarHBondContact O-N 3.45Å; Q397-Q399 VanDerWaalsContact O-N 3.17Å
398G44.4Very low39.7Very low74 Ų74175.1 Ų175.176%0.76386%0.858SS**  trans-66.2111.2178.700000111.5
399Q42.4Very low39.7Very low176 Ų176174.1 Ų174.182%0.82286%0.857SS**  trans-94.1140.8177.1-163174.2100.300110.6Q397Q397-Q399 PolarHBondContact O-N 3.45Å; Q397-Q399 VanDerWaalsContact O-N 3.17Å
400Y43.3Very low39.9Very low237 Ų237176.4 Ų176.493%0.92986%0.856SS**  trans-60.3143.9-177.1-92.2-112.1000113.6
401G43.8Very low40.1Very low67 Ų67175.9 Ų175.969%0.69186%0.856SS**  trans-134.7124.416900000111.5
402N38.4Very low40.8Very low149 Ų149170.6 Ų170.680%0.79785%0.851SS**  trans-27.1133.9176-67.9-90.2000117.1
403Y42.1Very low40.5Very low311 Ų311175.1 Ų175.1100%1.2286%0.857SS**  -147.80119.2-74-64000109.9

Retrieved 403 of 403 residues in 198.1 ms (Link to these results)