A0A096M0S8_POEFO Loading...

Polyhomeotic homolog 1

AlphaFold DB , UniProt , Accession A0A096M0S8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 663 aa.

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

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
1M32.6Very low39.2Very low230 Ų230151.6 Ų151.6100%1.13385%0.853SS**  0143.40-161.3157-85.200107.1
2E39.7Very low38.9Very low171 Ų171147 Ų14780%0.79985%0.848SS**  trans-71.8173.5-161.4-60.190.5107.700112.5
3A39.2Very low38.8Very low88 Ų88144.5 Ų144.573%0.72784%0.844SS**  cis-140.9158.218.400000110
4D43.8Very low38.7Very low159 Ų159145.2 Ų145.285%0.8585%0.852SS**  69.3143.355.6-141.5-60.2000114.1
5G37.9Very low38.6Very low75 Ų75146.3 Ų146.377%0.77385%0.853SS**  trans145.768.1-172.300000115.7
6E48.8Very low38.3Very low172 Ų172141.6 Ų141.680%0.80485%0.845SS**  trans-76.2148171.460.3176.584.200113.9
7Q39.4Very low38.3Very low193 Ų193140.5 Ų140.590%0.90285%0.846SS**  trans-163.4145.6148.2-122.3161.578.400114
8S39.6Very low38.4Very low102 Ų102138 Ų13871%0.71384%0.843SS**  trans-118.4149.3176.2-66.20000110.9
9Q35.7Very low38.5Very low197 Ų197136.3 Ų136.392%0.92184%0.844SS**  -175.9171.7128.5-101.8153.5109.600113.9
10Q42.3Very low38.4Very low201 Ų201135.8 Ų135.894%0.93985%0.846SS**  trans-104.4151.7-169.2-64.2152.4-2.600111.5
11G31.8Very low38.3Very low80 Ų80132.7 Ų132.783%0.82584%0.841SS**  trans-148.8142.1168.700000109.3
12A35.6Very low38.8Very low96 Ų96126.3 Ų126.379%0.79383%0.825SS**  trans-125.7155.4-158.900000115.5
13S38.5Very low38.7Very low114 Ų114123.5 Ų123.580%0.79782%0.824SS**  trans66.8111.8153.2-58.80000120.2
14T37.3Very low38.9Very low155 Ų155124.6 Ų124.695%0.95183%0.827SS**  -130.9165124.749.80000109.8
15N36.3Very low39Very low161 Ų161127.5 Ų127.586%0.86183%0.826SS**  trans-104.2144.4-162.5-166.111.3000112.4
16G34.6Very low39.4Very low71 Ų71129.2 Ų129.273%0.73282%0.823SS**  trans-170.997-178.600000113.4A18G16-A18 PolarHBondContact O-N 3.32Å
17S38.2Very low39.6Very low123 Ų123124.4 Ų124.486%0.8681%0.808SS**  trans-78115.3-174.8-57.40000113.2
18A39.4Very low40.5Very low96 Ų96119.8 Ų119.879%0.79380%0.795SS**  trans-108.8139.5159.300000109.5G16G16-A18 PolarHBondContact O-N 3.32Å
19A40Very low41.2Very low105 Ų105120 Ų12087%0.86879%0.786SS**  trans-70.9146.6-170.300000113.5G21A19-G21 PolarHBondContact O-N 3.33Å
20S37.3Very low42.4Very low126 Ų126116.8 Ų116.888%0.88178%0.775SS**  trans-35.4112.8-174.9-540000115.6A22S20-A22 PolarHBondContact O-N 3.42Å
21G35.9Very low43.3Very low72 Ų72112.4 Ų112.474%0.74277%0.767SS**  trans-65129.117100000111.9A19 S23A19-G21 PolarHBondContact O-N 3.33Å; G21-S23 PolarHBondContact O-N 3.06Å
22A44.4Very low44.8Very low95 Ų95111 Ų11179%0.78574%0.74SS**  trans-71.578.6171.800000110.4S20 S24S20-A22 PolarHBondContact O-N 3.42Å; A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 3.48Å
23S36.8Very low46.9Very low112 Ų112109.8 Ų109.878%0.78373%0.725SS**  trans-69.888.5172.7-172.80000109.5G21 R25G21-S23 PolarHBondContact O-N 3.06Å; S23-R25 PolarHBondContact O-N 3.06Å
24S42.7Very low48.8Very low112 Ų112107.6 Ų107.678%0.78371%0.714SS**  trans-69.363.8174.1-620000111.2A22 P26A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 3.48Å; S24-P26 WeakPolarHBondContact O-CD 3.46Å; S24-P26 VanDerWaalsContact O-N 3.16Å
25R46.8Very low51Low220 Ų220108.9 Ų108.983%0.8370%0.703SS**PPolyproline II helixtrans-55.7117.3171.3-165.2-179.7-166.1-169.34.8107.7S23 S27S23-R25 PolarHBondContact O-N 3.06Å; R25-S27 PolarHBondContact O-N 3.4Å; R25-S27 VanDerWaalsContact O-N 3.11Å
26P45.3Very low53.3Low111 Ų111105.7 Ų105.772%0.72168%0.683SS**PPolyproline II helixtrans-61.4121-172.523-33000109.4S24S24-P26 WeakPolarHBondContact O-CD 3.46Å; S24-P26 VanDerWaalsContact O-N 3.16Å
27S52.7Low55.7Low71 Ų71106.6 Ų106.650%0.49766%0.664SS.*PPolyproline II helixtrans-63.4133.7-179.9-54.20000109.6R25 M29 N30R25-S27 PolarHBondContact O-N 3.4Å; R25-S27 VanDerWaalsContact O-N 3.11Å; S27-M29 PolarHBondContact O-N 2.99Å; S27-N30 PolarHBondContact O-N 3.38Å
28P59.6Low57.9Low96 Ų96107.5 Ų107.562%0.62366%0.655SS**THydrogen-bonded Turntrans-63.8-9.5-173.124.4-34.4000114.4N30 S31P28-N30 PolarHBondContact O-N 3.07Å; P28-S31 PolarHBondContact O-OG 3.48Å
29M54.8Low60Low106 Ų106104.8 Ų104.852%0.52263%0.632SS.*THydrogen-bonded Turntrans-60.1-29.5166.7-67.6-177.8-72.500113.2S27 S31 M32 R37S27-M29 PolarHBondContact O-N 2.99Å; M29-S31 VanDerWaalsContact C-N 3.32Å; M29-S31 PolarHBondContact O-N 3.28Å; M29-M32 WeakPolarHBondContact O-CB 3.48Å; M29-M32 PolarHBondContact O-N 3.34Å; M29-R37 HydrophobicContact CB-CG 4.5Å; M29-R37 VanDerWaalsContact O-CD 3.23Å; M29-R37 WeakPolarHBondContact O-CD 3.27Å; M29-R37 VanDerWaalsContact O-CG 3.29Å; M29-R37 WeakPolarHBondContact O-CG 3.21Å; M29-R37 PolarHBondContact O-NH1 2.85Å
30N59.3Low62.1Low130 Ų130102.3 Ų102.370%0.69561%0.606SS**THydrogen-bonded Turntrans-73.8-26.6-173.3-14411.6000112.6S27 P28 R37S27-N30 PolarHBondContact O-N 3.38Å; P28-N30 PolarHBondContact O-N 3.07Å; N30-R37 PolarHBondContact O-NH1 3.13Å
31S61.9Low64.3Low109 Ų109103.4 Ų103.476%0.76260%0.597SS**THydrogen-bonded Turntrans-82.1-10.6172.240.70000114.8P28 M29P28-S31 PolarHBondContact O-OG 3.48Å; M29-S31 VanDerWaalsContact C-N 3.32Å; M29-S31 PolarHBondContact O-N 3.28Å
32M62.9Low66.2Low51 Ų51102.3 Ų102.325%0.25158%0.581SS.*SBendtrans-75154.5175.3-70173.6-173.600111.7M29 E36 R37 V40M29-M32 WeakPolarHBondContact O-CB 3.48Å; M29-M32 PolarHBondContact O-N 3.34Å; M32-E36 VanDerWaalsContact CA-OE2 3.26Å; M32-E36 WeakPolarHBondContact CA-OE2 3.41Å; M32-E36 HydrophobicContact CB-CB 4.11Å; M32-E36 HydrophobicContact CB-CG 3.92Å; M32-E36 VanDerWaalsContact CB-OE2 3.32Å; M32-E36 WeakPolarHBondContact CB-OE2 3.48Å; M32-E36 HydrophobicContact CG-CG 3.96Å; M32-E36 HydrophobicContact SD-CG 4.17Å; M32-R37 HydrophobicContact CB-CG 3.94Å; M32-R37 PolarHBondContact O-NH1 3.22Å; M32-V40 HydrophobicContact SD-CG2 4.09Å
33S79.2Confident68Low70 Ų70103.3 Ų103.349%0.4957%0.573SS.*  trans-58.9154.7168.1173.90000111.4Y35 E36 R37S33-Y35 VanDerWaalsContact C-N 3.26Å; S33-Y35 PolarHBondContact O-N 2.92Å; S33-Y35 PolarHBondContact OG-N 3.11Å; S33-E36 PolarHBondContact N-OE2 2.91Å; S33-E36 WeakPolarHBondContact O-CB 3.42Å; S33-E36 PolarHBondContact O-N 2.86Å; S33-E36 VanDerWaalsContact O-N 3.08Å; S33-R37 PolarHBondContact O-N 2.83Å
34A79.8Confident70Confident68 Ų68103.3 Ų103.356%0.56256%0.56SS**Hα-helixtrans-58.2-39.9174.200000112E36 Q38A34-E36 VanDerWaalsContact C-N 3.34Å; A34-Q38 WeakPolarHBondContact O-CB 3.45Å; A34-Q38 PolarHBondContact O-N 3.02Å
35Y82.3Confident71.2Confident182 Ų182100.7 Ų100.771%0.71455%0.545SS*.Hα-helixtrans-63.4-39.1173.8177.7-96.2000112.3S33 Q38 A39S33-Y35 VanDerWaalsContact C-N 3.26Å; S33-Y35 PolarHBondContact O-N 2.92Å; S33-Y35 PolarHBondContact OG-N 3.11Å; Y35-Q38 PolarHBondContact O-N 3.06Å; Y35-A39 WeakPolarHBondContact O-CB 3.24Å; Y35-A39 PolarHBondContact O-N 3.05Å
36E84.4Confident71.8Confident94 Ų9493.9 Ų93.944%0.43953%0.525SS..Hα-helixtrans-73.6-39.9-178.6-176.4-179.7-153.900111.5M32 S33 A34 Q38 A39 V40M32-E36 VanDerWaalsContact CA-OE2 3.26Å; M32-E36 WeakPolarHBondContact CA-OE2 3.41Å; M32-E36 HydrophobicContact CB-CB 4.11Å; M32-E36 HydrophobicContact CB-CG 3.92Å; M32-E36 VanDerWaalsContact CB-OE2 3.32Å; M32-E36 WeakPolarHBondContact CB-OE2 3.48Å; M32-E36 HydrophobicContact CG-CG 3.96Å; M32-E36 HydrophobicContact SD-CG 4.17Å; S33-E36 PolarHBondContact N-OE2 2.91Å; S33-E36 WeakPolarHBondContact O-CB 3.42Å; S33-E36 PolarHBondContact O-N 2.86Å; S33-E36 VanDerWaalsContact O-N 3.08Å; A34-E36 VanDerWaalsContact C-N 3.34Å; E36-Q38 VanDerWaalsContact C-N 3.34Å; E36-Q38 PolarHBondContact O-N 3.09Å; E36-A39 PolarHBondContact O-N 2.9Å; E36-V40 WeakPolarHBondContact O-CB 3.42Å; E36-V40 WeakPolarHBondContact O-CG2 3.38Å; E36-V40 PolarHBondContact O-N 3.19Å
37R85.1Confident72.8Confident90 Ų9096 Ų9634%0.3453%0.525SS..Hα-helixtrans-56.7-46.1166.3-77.9-164.7-81.1-92.96.2111.6M29 N30 M32 S33 V40 Q41M29-R37 HydrophobicContact CB-CG 4.5Å; M29-R37 VanDerWaalsContact O-CD 3.23Å; M29-R37 WeakPolarHBondContact O-CD 3.27Å; M29-R37 VanDerWaalsContact O-CG 3.29Å; M29-R37 WeakPolarHBondContact O-CG 3.21Å; M29-R37 PolarHBondContact O-NH1 2.85Å; N30-R37 PolarHBondContact O-NH1 3.13Å; M32-R37 HydrophobicContact CB-CG 3.94Å; M32-R37 PolarHBondContact O-NH1 3.22Å; S33-R37 PolarHBondContact O-N 2.83Å; R37-V40 PolarHBondContact O-N 3Å; R37-Q41 VanDerWaalsContact O-CB 3.28Å; R37-Q41 WeakPolarHBondContact O-CB 3.31Å; R37-Q41 PolarHBondContact O-N 3.43Å
38Q85Confident73.3Confident142 Ų142102.4 Ų102.466%0.66454%0.538SS*.Hα-helixtrans-64-40.9178.3-174.2175.1-3.700111.8A34 Y35 E36 Q41 A42A34-Q38 WeakPolarHBondContact O-CB 3.45Å; A34-Q38 PolarHBondContact O-N 3.02Å; Y35-Q38 PolarHBondContact O-N 3.06Å; E36-Q38 VanDerWaalsContact C-N 3.34Å; E36-Q38 PolarHBondContact O-N 3.09Å; Q38-Q41 PolarHBondContact O-N 2.9Å; Q38-A42 WeakPolarHBondContact O-CB 3.27Å; Q38-A42 PolarHBondContact O-N 2.87Å
39A82.9Confident73Confident39 Ų39103.5 Ų103.532%0.32254%0.535SS..Hα-helixtrans-64.1-45.5175.200000112.2Y35 E36 A42 L43Y35-A39 WeakPolarHBondContact O-CB 3.24Å; Y35-A39 PolarHBondContact O-N 3.05Å; E36-A39 PolarHBondContact O-N 2.9Å; A39-A42 PolarHBondContact O-N 3.09Å; A39-L43 WeakPolarHBondContact O-CB 3.44Å; A39-L43 VanDerWaalsContact O-CG 3.3Å; A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.19Å
40V85.1Confident73.2Confident53 Ų53104.6 Ų104.632%0.32155%0.551SS.*Hα-helixtrans-64-41.8175.7170.80000111.1M32 E36 R37 L43 Q44M32-V40 HydrophobicContact SD-CG2 4.09Å; E36-V40 WeakPolarHBondContact O-CB 3.42Å; E36-V40 WeakPolarHBondContact O-CG2 3.38Å; E36-V40 PolarHBondContact O-N 3.19Å; R37-V40 PolarHBondContact O-N 3Å; V40-L43 PolarHBondContact O-N 3.25Å; V40-Q44 VanDerWaalsContact O-CB 3.3Å; V40-Q44 WeakPolarHBondContact O-CB 3.46Å; V40-Q44 PolarHBondContact O-N 3.14Å
41Q83.7Confident73.4Confident149 Ų149102.7 Ų102.770%0.69654%0.54SS*.Hα-helixtrans-66.5-37.5177.5-168.3169.513.200112.1R37 Q38 Q44 A45R37-Q41 VanDerWaalsContact O-CB 3.28Å; R37-Q41 WeakPolarHBondContact O-CB 3.31Å; R37-Q41 PolarHBondContact O-N 3.43Å; Q38-Q41 PolarHBondContact O-N 2.9Å; Q41-Q44 PolarHBondContact O-N 2.84Å; Q41-A45 WeakPolarHBondContact O-CB 3.38Å; Q41-A45 PolarHBondContact O-N 2.99Å
42A75.6Confident73.5Confident49 Ų4998.9 Ų98.941%0.40552%0.515SS..Hα-helixtrans-64.5-47.3171.800000111.9Q38 A39 Q44 A45 L46Q38-A42 WeakPolarHBondContact O-CB 3.27Å; Q38-A42 PolarHBondContact O-N 2.87Å; A39-A42 PolarHBondContact O-N 3.09Å; A42-Q44 VanDerWaalsContact C-N 3.32Å; A42-Q44 PolarHBondContact O-N 2.79Å; A42-A45 PolarHBondContact O-N 2.9Å; A42-A45 VanDerWaalsContact O-N 3.17Å; A42-L46 WeakPolarHBondContact O-CD1 3.43Å; A42-L46 PolarHBondContact O-N 3.45Å
43L81.1Confident73.9Confident115 Ų11598.6 Ų98.660%0.60252%0.521SS*.Hα-helixtrans-59.4-41.7175.7-75.2163.4000111.9A39 V40 L46 Q47A39-L43 WeakPolarHBondContact O-CB 3.44Å; A39-L43 VanDerWaalsContact O-CG 3.3Å; A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.19Å; V40-L43 PolarHBondContact O-N 3.25Å; L43-L46 PolarHBondContact O-N 2.88Å; L43-Q47 WeakPolarHBondContact O-CG 3.37Å; L43-Q47 PolarHBondContact O-N 3.27Å
44Q79.9Confident73.7Confident113 Ų113100.7 Ų100.753%0.52852%0.523SS..Hα-helixtrans-64.5-38.6176-165.878.894.700111.9V40 Q41 A42 R48V40-Q44 VanDerWaalsContact O-CB 3.3Å; V40-Q44 WeakPolarHBondContact O-CB 3.46Å; V40-Q44 PolarHBondContact O-N 3.14Å; Q41-Q44 PolarHBondContact O-N 2.84Å; A42-Q44 VanDerWaalsContact C-N 3.32Å; A42-Q44 PolarHBondContact O-N 2.79Å; Q44-R48 PolarHBondContact O-N 3.29Å
45A66.6Low73.5Confident56 Ų56105.5 Ų105.546%0.46353%0.528SS..Hα-helixtrans-67.9-43.6175.300000112.2Q41 A42 Q47 R48Q41-A45 WeakPolarHBondContact O-CB 3.38Å; Q41-A45 PolarHBondContact O-N 2.99Å; A42-A45 PolarHBondContact O-N 2.9Å; A42-A45 VanDerWaalsContact O-N 3.17Å; A45-Q47 VanDerWaalsContact C-N 3.34Å; A45-Q47 PolarHBondContact O-N 2.9Å; A45-R48 PolarHBondContact O-N 2.94Å
46L60.5Low73.4Confident77 Ų77102.2 Ų102.240%0.40352%0.518SS..Hα-helixtrans-61.6-40.6174.4-90.679.9000111.6A42 L43 R48 Q49 A52A42-L46 WeakPolarHBondContact O-CD1 3.43Å; A42-L46 PolarHBondContact O-N 3.45Å; L43-L46 PolarHBondContact O-N 2.88Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 2.89Å; L46-Q49 CarbonylContact O-C 3.47Å; L46-Q49 PolarHBondContact O-N 3.49Å; L46-Q49 VanDerWaalsContact O-N 3.15Å; L46-Q49 VanDerWaalsContact O-O 3.05Å; L46-A52 HydrophobicContact CG-CB 4.44Å
47Q65.7Low73.3Confident157 Ų157102.8 Ų102.873%0.73452%0.52SS*.Hα-helixtrans-64.9-27.2176.6-78.6-171.4-4.100114L43 A45 Q49L43-Q47 WeakPolarHBondContact O-CG 3.37Å; L43-Q47 PolarHBondContact O-N 3.27Å; A45-Q47 VanDerWaalsContact C-N 3.34Å; A45-Q47 PolarHBondContact O-N 2.9Å; Q47-Q49 VanDerWaalsContact C-N 3.25Å; Q47-Q49 PolarHBondContact O-N 3.12Å
48R63.9Low73.4Confident204 Ų204103.8 Ų103.877%0.7753%0.529SS*.THydrogen-bonded Turntrans-77.6-6.4175.4-74-164.369.990.61114.1Q44 A45 L46Q44-R48 PolarHBondContact O-N 3.29Å; A45-R48 PolarHBondContact O-N 2.94Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 2.89Å
49Q53.6Low73.7Confident119 Ų119102.3 Ų102.356%0.55653%0.525SS*.  trans-138.695.7-176.5-72.6-63.3-14.700110.7L46 Q47 N51 A52L46-Q49 CarbonylContact O-C 3.47Å; L46-Q49 PolarHBondContact O-N 3.49Å; L46-Q49 VanDerWaalsContact O-N 3.15Å; L46-Q49 VanDerWaalsContact O-O 3.05Å; Q47-Q49 VanDerWaalsContact C-N 3.25Å; Q47-Q49 PolarHBondContact O-N 3.12Å; Q49-N51 PolarHBondContact O-N 2.95Å; Q49-A52 HydrophobicContact CB-CB 3.64Å; Q49-A52 WeakPolarHBondContact O-CB 3.31Å; Q49-A52 PolarHBondContact O-N 3.34Å
50P59.5Low73.8Confident130 Ų130105.5 Ų105.584%0.84454%0.535SS*.THydrogen-bonded Turntrans-62.4-10.9-175.425.8-35000114.2
51N62.8Low74Confident89 Ų89106.9 Ų106.948%0.47654%0.54SS..THydrogen-bonded Turntrans-104.2-6.7176-146.48.9000113.8Q49 A53 Q54 Y55Q49-N51 PolarHBondContact O-N 2.95Å; N51-A53 VanDerWaalsContact C-N 3.29Å; N51-A53 PolarHBondContact O-N 3.48Å; N51-Q54 WeakPolarHBondContact O-CB 3.45Å; N51-Q54 PolarHBondContact O-N 2.87Å; N51-Q54 WeakPolarHBondContact OD1-CB 3.42Å; N51-Q54 VanDerWaalsContact OD1-CG 3.3Å; N51-Q54 WeakPolarHBondContact OD1-CG 3.35Å; N51-Y55 PolarHBondContact O-N 3.5Å
52A63.9Low74.1Confident29 Ų29104.8 Ų104.824%0.2453%0.53CS..Hα-helixtrans-64.2-33.1-177.800000112.8L46 Q49 Q54 Y55 F56L46-A52 HydrophobicContact CG-CB 4.44Å; Q49-A52 HydrophobicContact CB-CB 3.64Å; Q49-A52 WeakPolarHBondContact O-CB 3.31Å; Q49-A52 PolarHBondContact O-N 3.34Å; A52-Q54 PolarHBondContact O-N 2.85Å; A52-Y55 PolarHBondContact O-N 3.12Å; A52-F56 PolarHBondContact O-N 2.83Å
53A70.4Confident74.7Confident46 Ų46108.6 Ų108.638%0.3854%0.539SS..Hα-helixtrans-65.4-24.3173.400000113.3N51 Q57N51-A53 VanDerWaalsContact C-N 3.29Å; N51-A53 PolarHBondContact O-N 3.48Å; A53-Q57 WeakPolarHBondContact O-CG 3.45Å; A53-Q57 PolarHBondContact O-N 3.22Å; A53-Q57 PolarHBondContact O-NE2 2.79Å
54Q76Confident74.7Confident113 Ų113109.2 Ų109.253%0.52854%0.539SS..Hα-helixtrans-76.5-45172.2-62.8-66.1-16.400110.7N51 A52 F56 Q57 Q58N51-Q54 WeakPolarHBondContact O-CB 3.45Å; N51-Q54 PolarHBondContact O-N 2.87Å; N51-Q54 WeakPolarHBondContact OD1-CB 3.42Å; N51-Q54 VanDerWaalsContact OD1-CG 3.3Å; N51-Q54 WeakPolarHBondContact OD1-CG 3.35Å; A52-Q54 PolarHBondContact O-N 2.85Å; Q54-F56 VanDerWaalsContact C-N 3.32Å; Q54-F56 PolarHBondContact O-N 3.46Å; Q54-Q57 PolarHBondContact O-N 3.03Å; Q54-Q58 WeakPolarHBondContact O-CB 3.37Å; Q54-Q58 PolarHBondContact O-N 3.49Å
55Y75.8Confident74.8Confident169 Ų169107.3 Ų107.366%0.66353%0.532SS*.Hα-helixtrans-60.6-38.9174.2-80.8-80.2000112.7N51 A52 Q58 L59N51-Y55 PolarHBondContact O-N 3.5Å; A52-Y55 PolarHBondContact O-N 3.12Å; Y55-Q58 PolarHBondContact O-N 2.75Å; Y55-L59 WeakPolarHBondContact O-CB 3.37Å; Y55-L59 PolarHBondContact O-N 2.89Å
56F79.6Confident75.6Confident113 Ų113108.6 Ų108.650%0.49653%0.531SS..Hα-helixtrans-66.3-41.9175.3-173.6-99.5000112.5A52 Q54 L59 M60A52-F56 PolarHBondContact O-N 2.83Å; Q54-F56 VanDerWaalsContact C-N 3.32Å; Q54-F56 PolarHBondContact O-N 3.46Å; F56-L59 PolarHBondContact O-N 3.26Å; F56-M60 HydrophobicContact CD1-CG 4.2Å; F56-M60 HydrophobicContact CE1-CE 3.94Å; F56-M60 HydrophobicContact CE1-CG 3.71Å; F56-M60 HydrophobicContact CE1-SD 3.64Å; F56-M60 HydrophobicContact CE2-CG 4.44Å; F56-M60 HydrophobicContact CZ-CG 3.85Å; F56-M60 HydrophobicContact CZ-SD 3.85Å; F56-M60 WeakPolarHBondContact O-CG 3.29Å; F56-M60 PolarHBondContact O-N 3.4Å
57Q83.4Confident76.3Confident106 Ų106108 Ų10850%0.49553%0.533SS..Hα-helixtrans-62.4-42.1172.4-78.9172.397.300111.9A53 Q54 L59 M60 L61A53-Q57 WeakPolarHBondContact O-CG 3.45Å; A53-Q57 PolarHBondContact O-N 3.22Å; A53-Q57 PolarHBondContact O-NE2 2.79Å; Q54-Q57 PolarHBondContact O-N 3.03Å; Q57-L59 VanDerWaalsContact C-N 3.33Å; Q57-L59 PolarHBondContact O-N 2.86Å; Q57-M60 PolarHBondContact O-N 2.9Å; Q57-L61 VanDerWaalsContact O-CB 3.23Å; Q57-L61 WeakPolarHBondContact O-CB 3.3Å; Q57-L61 PolarHBondContact O-N 2.92Å
58Q85.5Confident76.8Confident112 Ų112102.9 Ų102.952%0.52352%0.518SS..Hα-helixtrans-64.8-37.5177.5-175.657.986.600112Q54 Y55 Q62Q54-Q58 WeakPolarHBondContact O-CB 3.37Å; Q54-Q58 PolarHBondContact O-N 3.49Å; Y55-Q58 PolarHBondContact O-N 2.75Å; Q58-Q62 VanDerWaalsContact O-CB 3.24Å; Q58-Q62 WeakPolarHBondContact O-CB 3.24Å; Q58-Q62 PolarHBondContact O-N 3.32Å
59L91.4Very high77.5Confident110 Ų11099.1 Ų99.158%0.57651%0.509SS*.Hα-helixtrans-67.1-47.8174.3-178.363.4000111.6Y55 F56 Q57 L61 Q62 Q63Y55-L59 WeakPolarHBondContact O-CB 3.37Å; Y55-L59 PolarHBondContact O-N 2.89Å; F56-L59 PolarHBondContact O-N 3.26Å; Q57-L59 VanDerWaalsContact C-N 3.33Å; Q57-L59 PolarHBondContact O-N 2.86Å; L59-L61 PolarHBondContact O-N 2.92Å; L59-Q62 PolarHBondContact O-N 3.44Å; L59-Q63 WeakPolarHBondContact O-CB 3.49Å; L59-Q63 PolarHBondContact O-N 3.46Å
60M85.6Confident78.7Confident107 Ų10798.9 Ų98.953%0.52751%0.511SS..Hα-helixtrans-61.5-42.4175.4-73.2-139.6-55.900112.1F56 Q57 Q62 Q63 Q64F56-M60 HydrophobicContact CD1-CG 4.2Å; F56-M60 HydrophobicContact CE1-CE 3.94Å; F56-M60 HydrophobicContact CE1-CG 3.71Å; F56-M60 HydrophobicContact CE1-SD 3.64Å; F56-M60 HydrophobicContact CE2-CG 4.44Å; F56-M60 HydrophobicContact CZ-CG 3.85Å; F56-M60 HydrophobicContact CZ-SD 3.85Å; F56-M60 WeakPolarHBondContact O-CG 3.29Å; F56-M60 PolarHBondContact O-N 3.4Å; Q57-M60 PolarHBondContact O-N 2.9Å; M60-Q62 VanDerWaalsContact C-N 3.35Å; M60-Q63 WeakPolarHBondContact O-CB 3.26Å; M60-Q63 PolarHBondContact O-N 3.41Å; M60-Q64 VanDerWaalsContact O-CB 3.31Å; M60-Q64 WeakPolarHBondContact O-CB 3.31Å; M60-Q64 PolarHBondContact O-N 3.41Å
61L88.9Confident79.8Confident82 Ų8299.9 Ų99.943%0.42950%0.504SS..Hα-helixtrans-64.1-40.8176.6-178.261.3000111.2Q57 L59 Q64 I65Q57-L61 VanDerWaalsContact O-CB 3.23Å; Q57-L61 WeakPolarHBondContact O-CB 3.3Å; Q57-L61 PolarHBondContact O-N 2.92Å; L59-L61 PolarHBondContact O-N 2.92Å; L61-Q64 PolarHBondContact O-N 3.4Å; L61-I65 HydrophobicContact CD1-CD1 4.04Å; L61-I65 HydrophobicContact CD1-CG1 4.3Å; L61-I65 HydrophobicContact CG-CD1 3.9Å; L61-I65 WeakPolarHBondContact O-CB 3.48Å; L61-I65 VanDerWaalsContact O-CG1 3.26Å; L61-I65 WeakPolarHBondContact O-CG1 3.19Å; L61-I65 PolarHBondContact O-N 2.95Å
62Q86.2Confident80.6Confident105 Ų105100.7 Ų100.749%0.49151%0.509SS..Hα-helixtrans-65.4-39.5175.8-175.358.887.400112Q58 L59 M60 N66Q58-Q62 VanDerWaalsContact O-CB 3.24Å; Q58-Q62 WeakPolarHBondContact O-CB 3.24Å; Q58-Q62 PolarHBondContact O-N 3.32Å; L59-Q62 PolarHBondContact O-N 3.44Å; M60-Q62 VanDerWaalsContact C-N 3.35Å; Q62-N66 WeakPolarHBondContact O-CB 3.23Å; Q62-N66 PolarHBondContact O-N 3.18Å
63Q87.5Confident81.5Confident128 Ų128104.6 Ų104.660%0.59853%0.525SS*.Hα-helixtrans-64.5-42.6174.3-169.376.186.200111.5L59 M60 N66 S67L59-Q63 WeakPolarHBondContact O-CB 3.49Å; L59-Q63 PolarHBondContact O-N 3.46Å; M60-Q63 WeakPolarHBondContact O-CB 3.26Å; M60-Q63 PolarHBondContact O-N 3.41Å; Q63-N66 PolarHBondContact O-N 2.89Å; Q63-S67 PolarHBondContact O-N 3.3Å; Q63-S67 PolarHBondContact O-OG 2.85Å
64Q82.9Confident81.8Confident129 Ų129104.9 Ų104.960%0.60353%0.527SS*.Hα-helixtrans-68.8-40.6178.6-173.3-178.48.200112.3M60 L61 N66 S67 A68M60-Q64 VanDerWaalsContact O-CB 3.31Å; M60-Q64 WeakPolarHBondContact O-CB 3.31Å; M60-Q64 PolarHBondContact O-N 3.41Å; L61-Q64 PolarHBondContact O-N 3.4Å; Q64-N66 VanDerWaalsContact C-N 3.33Å; Q64-S67 PolarHBondContact O-OG 2.83Å; Q64-S67 VanDerWaalsContact O-OG 3.12Å; Q64-A68 WeakPolarHBondContact O-CB 3.48Å; Q64-A68 PolarHBondContact O-N 2.96Å
65I80.6Confident81.8Confident72 Ų72101.5 Ų101.537%0.36952%0.519SS..Hα-helixtrans-64.2-41.9174.6-70.6165.7000110.1L61 A68 Q69L61-I65 HydrophobicContact CD1-CD1 4.04Å; L61-I65 HydrophobicContact CD1-CG1 4.3Å; L61-I65 HydrophobicContact CG-CD1 3.9Å; L61-I65 WeakPolarHBondContact O-CB 3.48Å; L61-I65 VanDerWaalsContact O-CG1 3.26Å; L61-I65 WeakPolarHBondContact O-CG1 3.19Å; L61-I65 PolarHBondContact O-N 2.95Å; I65-A68 PolarHBondContact O-N 3.26Å; I65-Q69 HydrophobicContact CG2-CG 4.48Å; I65-Q69 WeakPolarHBondContact O-CB 3.39Å; I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.44Å; I65-Q69 PolarHBondContact O-N 3.35Å
66N83.2Confident82.1Confident84 Ų8497.2 Ų97.245%0.44951%0.51SS..Hα-helixtrans-64-46.4177.4-173.2-79.6000111.9Q62 Q63 Q64 Q69 L70Q62-N66 WeakPolarHBondContact O-CB 3.23Å; Q62-N66 PolarHBondContact O-N 3.18Å; Q63-N66 PolarHBondContact O-N 2.89Å; Q64-N66 VanDerWaalsContact C-N 3.33Å; N66-Q69 PolarHBondContact O-N 3.41Å; N66-L70 PolarHBondContact O-N 3.44Å
67S76.9Confident82.2Confident64 Ų6497.4 Ų97.445%0.44851%0.512SS..Hα-helixtrans-66.9-36.9177.466.50000112.6Q63 Q64 L70 Q71Q63-S67 PolarHBondContact O-N 3.3Å; Q63-S67 PolarHBondContact O-OG 2.85Å; Q64-S67 PolarHBondContact O-OG 2.83Å; Q64-S67 VanDerWaalsContact O-OG 3.12Å; S67-L70 PolarHBondContact O-N 3.2Å; S67-Q71 VanDerWaalsContact O-CB 3.31Å; S67-Q71 WeakPolarHBondContact O-CB 3.41Å; S67-Q71 PolarHBondContact O-N 3.18Å
68A75.6Confident81.8Confident50 Ų5099 Ų9941%0.41352%0.519SS..Hα-helixtrans-66.1-39.4173.500000112.4Q64 I65 Q71 N72Q64-A68 WeakPolarHBondContact O-CB 3.48Å; Q64-A68 PolarHBondContact O-N 2.96Å; I65-A68 PolarHBondContact O-N 3.26Å; A68-Q71 PolarHBondContact O-N 3.35Å; A68-N72 VanDerWaalsContact O-CB 3.3Å; A68-N72 WeakPolarHBondContact O-CB 3.37Å; A68-N72 PolarHBondContact O-N 3.22Å
69Q79.1Confident81.5Confident125 Ų12598.4 Ų98.458%0.58452%0.523SS*.Hα-helixtrans-64.1-43.5173.3-77.8176.1-13.200111.7I65 N66 N72 L73I65-Q69 HydrophobicContact CG2-CG 4.48Å; I65-Q69 WeakPolarHBondContact O-CB 3.39Å; I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.44Å; I65-Q69 PolarHBondContact O-N 3.35Å; N66-Q69 PolarHBondContact O-N 3.41Å; Q69-N72 PolarHBondContact O-N 3Å; Q69-L73 WeakPolarHBondContact O-CB 3.3Å; Q69-L73 PolarHBondContact O-N 3.04Å
70L78.1Confident80.8Confident114 Ų11499.8 Ų99.860%0.59753%0.525SS*.Hα-helixtrans-64.5-41176.3-174.662.1000111.8N66 S67 L73 A74N66-L70 PolarHBondContact O-N 3.44Å; S67-L70 PolarHBondContact O-N 3.2Å; L70-L73 PolarHBondContact O-N 3.28Å; L70-A74 WeakPolarHBondContact O-CB 3.39Å; L70-A74 PolarHBondContact O-N 2.88Å
71Q82.1Confident79.9Confident151 Ų15197.4 Ų97.471%0.70652%0.522SS*.Hα-helixtrans-66.8-36.1175-171.1175.163.900112S67 A68 A74 A75S67-Q71 VanDerWaalsContact O-CB 3.31Å; S67-Q71 WeakPolarHBondContact O-CB 3.41Å; S67-Q71 PolarHBondContact O-N 3.18Å; A68-Q71 PolarHBondContact O-N 3.35Å; Q71-A74 PolarHBondContact O-N 3.06Å; Q71-A75 WeakPolarHBondContact O-CB 3.39Å; Q71-A75 PolarHBondContact O-N 2.89Å
72N79.4Confident79.1Confident106 Ų10698 Ų9857%0.56753%0.53SS*.Hα-helixtrans-68.3-42.2174.4-158.4-78.4000111.4A68 Q69 A74 A75 V76A68-N72 VanDerWaalsContact O-CB 3.3Å; A68-N72 WeakPolarHBondContact O-CB 3.37Å; A68-N72 PolarHBondContact O-N 3.22Å; Q69-N72 PolarHBondContact O-N 3Å; N72-A74 VanDerWaalsContact C-N 3.33Å; N72-A74 PolarHBondContact O-N 3.32Å; N72-A75 PolarHBondContact O-N 3.46Å; N72-V76 WeakPolarHBondContact O-CG2 3.44Å; N72-V76 PolarHBondContact O-N 2.9Å
73L83.5Confident78.3Confident111 Ų11198.2 Ų98.258%0.58153%0.533SS*.Hα-helixtrans-61.8-40.5173.4-177.560.7000111.8Q69 L70 V76 Q77Q69-L73 WeakPolarHBondContact O-CB 3.3Å; Q69-L73 PolarHBondContact O-N 3.04Å; L70-L73 PolarHBondContact O-N 3.28Å; L73-V76 PolarHBondContact O-N 3.46Å; L73-Q77 WeakPolarHBondContact O-CB 3.48Å; L73-Q77 PolarHBondContact O-N 2.95Å
74A76.7Confident76.9Confident51 Ų5194.8 Ų94.842%0.42153%0.527SS..Hα-helixtrans-63.5-41.5172.900000112.2L70 Q71 N72 Q77 Q78L70-A74 WeakPolarHBondContact O-CB 3.39Å; L70-A74 PolarHBondContact O-N 2.88Å; Q71-A74 PolarHBondContact O-N 3.06Å; N72-A74 VanDerWaalsContact C-N 3.33Å; N72-A74 PolarHBondContact O-N 3.32Å; A74-Q77 PolarHBondContact O-N 3.43Å; A74-Q78 WeakPolarHBondContact O-CG 3.43Å; A74-Q78 PolarHBondContact O-N 3.45Å
75A76.3Confident75.6Confident43 Ų4391.3 Ų91.336%0.35552%0.52SS..Hα-helixtrans-65.3-4117500000112.4Q71 N72 Q77 Q78 V79Q71-A75 WeakPolarHBondContact O-CB 3.39Å; Q71-A75 PolarHBondContact O-N 2.89Å; N72-A75 PolarHBondContact O-N 3.46Å; A75-Q77 VanDerWaalsContact C-N 3.33Å; A75-Q77 PolarHBondContact O-N 2.86Å; A75-Q78 PolarHBondContact O-N 2.93Å; A75-V79 WeakPolarHBondContact O-CG2 3.23Å; A75-V79 PolarHBondContact O-N 3.15Å
76V82.1Confident74.3Confident78 Ų7891.3 Ų91.347%0.47353%0.527SS..Hα-helixtrans-63.1-39.6172.9169.60000111N72 L73 V79 K80N72-V76 WeakPolarHBondContact O-CG2 3.44Å; N72-V76 PolarHBondContact O-N 2.9Å; L73-V76 PolarHBondContact O-N 3.46Å; V76-V79 PolarHBondContact O-N 3.47Å; V76-K80 VanDerWaalsContact O-CB 3.27Å; V76-K80 WeakPolarHBondContact O-CB 3.29Å; V76-K80 PolarHBondContact O-N 2.83Å
77Q80.4Confident72.9Confident118 Ų11897.3 Ų97.355%0.55154%0.543SS*.Hα-helixtrans-66.3-38.2175.2-171.163.820.500111.9L73 A74 A75 K80 A81L73-Q77 WeakPolarHBondContact O-CB 3.48Å; L73-Q77 PolarHBondContact O-N 2.95Å; A74-Q77 PolarHBondContact O-N 3.43Å; A75-Q77 VanDerWaalsContact C-N 3.33Å; A75-Q77 PolarHBondContact O-N 2.86Å; Q77-K80 PolarHBondContact O-N 3.35Å; Q77-A81 WeakPolarHBondContact O-CB 3.33Å; Q77-A81 PolarHBondContact O-N 3.12Å
78Q76.8Confident71.6Confident138 Ų138102.3 Ų102.365%0.64556%0.559SS**Hα-helixtrans-64-48.7171.4-75.3179.8-5.100111.8A74 A75 K80 A81 T82A74-Q78 WeakPolarHBondContact O-CG 3.43Å; A74-Q78 PolarHBondContact O-N 3.45Å; A75-Q78 PolarHBondContact O-N 2.93Å; Q78-K80 VanDerWaalsContact C-N 3.27Å; Q78-K80 PolarHBondContact O-N 3.32Å; Q78-A81 PolarHBondContact O-N 2.87Å; Q78-A81 VanDerWaalsContact O-N 3.12Å; Q78-T82 PolarHBondContact O-N 3.23Å; Q78-T82 PolarHBondContact O-OG1 2.93Å; Q78-T82 VanDerWaalsContact O-OG1 3.12Å
79V78.8Confident69.9Low100 Ų100103.8 Ų103.861%0.60657%0.566SS**Hα-helixtrans-59.2-39.8176.5170.40000111A75 V76 T82 L83A75-V79 WeakPolarHBondContact O-CG2 3.23Å; A75-V79 PolarHBondContact O-N 3.15Å; V76-V79 PolarHBondContact O-N 3.47Å; V79-T82 PolarHBondContact O-N 3.27Å; V79-L83 WeakPolarHBondContact O-CB 3.42Å; V79-L83 PolarHBondContact O-N 2.87Å
80K75.8Confident67.9Low139 Ų139102 Ų10260%0.60457%0.568SS**Hα-helixtrans-65.7-38.8175.3-171.9175.3-179.8179.80112.6V76 Q77 Q78 A84V76-K80 VanDerWaalsContact O-CB 3.27Å; V76-K80 WeakPolarHBondContact O-CB 3.29Å; V76-K80 PolarHBondContact O-N 2.83Å; Q77-K80 PolarHBondContact O-N 3.35Å; Q78-K80 VanDerWaalsContact C-N 3.27Å; Q78-K80 PolarHBondContact O-N 3.32Å; K80-A84 WeakPolarHBondContact O-CB 3.28Å; K80-A84 PolarHBondContact O-N 3.31Å
81A66.4Low66.1Low57 Ų57102.4 Ų102.447%0.47158%0.577SS.*Hα-helixtrans-68.2-45.9174.700000112Q77 Q78 L83 A84 A85Q77-A81 WeakPolarHBondContact O-CB 3.33Å; Q77-A81 PolarHBondContact O-N 3.12Å; Q78-A81 PolarHBondContact O-N 2.87Å; Q78-A81 VanDerWaalsContact O-N 3.12Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.19Å; A81-A84 WeakPolarHBondContact O-CB 3.3Å; A81-A84 PolarHBondContact O-N 2.88Å; A81-A85 PolarHBondContact O-N 3.1Å
82T72.6Confident63.8Low96 Ų96100.5 Ų100.559%0.58958%0.581SS**Hα-helixtrans-62.5-39.9175.8-59.50000111.6Q78 V79 A85 S86Q78-T82 PolarHBondContact O-N 3.23Å; Q78-T82 PolarHBondContact O-OG1 2.93Å; Q78-T82 VanDerWaalsContact O-OG1 3.12Å; V79-T82 PolarHBondContact O-N 3.27Å; T82-A85 PolarHBondContact O-N 3.17Å; T82-S86 VanDerWaalsContact O-CB 3.27Å; T82-S86 WeakPolarHBondContact O-CB 3.35Å; T82-S86 PolarHBondContact O-N 2.9Å
83L70Confident61.6Low108 Ų108100.7 Ų100.757%0.56559%0.59SS**Hα-helixtrans-67.5-36.1174.6-176.660.7000112.1V79 A81 R87V79-L83 WeakPolarHBondContact O-CB 3.42Å; V79-L83 PolarHBondContact O-N 2.87Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.19Å; L83-R87 WeakPolarHBondContact O-CG 3.49Å; L83-R87 PolarHBondContact O-N 3.47Å
84A57.1Low59.1Low57 Ų57100.8 Ų100.847%0.47160%0.6SS.*Hα-helixtrans-65.2-46.617300000111.7K80 A81 S86 R87K80-A84 WeakPolarHBondContact O-CB 3.28Å; K80-A84 PolarHBondContact O-N 3.31Å; A81-A84 WeakPolarHBondContact O-CB 3.3Å; A81-A84 PolarHBondContact O-N 2.88Å; A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 2.92Å; A84-R87 PolarHBondContact O-N 3.38Å; A84-R87 VanDerWaalsContact O-N 3.09Å
85A55.7Low57Low56 Ų56103.5 Ų103.546%0.46362%0.616SS.*Hα-helixtrans-61.3-40.7175.200000112.2A81 T82 R87 Q88 S89A81-A85 PolarHBondContact O-N 3.1Å; T82-A85 PolarHBondContact O-N 3.17Å; A85-R87 PolarHBondContact O-N 3.33Å; A85-Q88 WeakPolarHBondContact O-CA 3.14Å; A85-Q88 PolarHBondContact O-N 3.16Å; A85-S89 PolarHBondContact O-N 3.35Å; A85-S89 VanDerWaalsContact O-N 3.09Å
86S54.4Low54.9Low71 Ų71107.3 Ų107.350%0.49764%0.64SS.*Hα-helixtrans-65.5-15.8175.6-176.20000113.8T82 A84 S89T82-S86 VanDerWaalsContact O-CB 3.27Å; T82-S86 WeakPolarHBondContact O-CB 3.35Å; T82-S86 PolarHBondContact O-N 2.9Å; A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 2.92Å; S86-S89 WeakPolarHBondContact CA-OG 3.3Å; S86-S89 PolarHBondContact O-OG 3.13Å
87R52.7Low52.6Low211 Ų211112.7 Ų112.780%0.79666%0.66SS**THydrogen-bonded Turntrans-91.8-1.3170-64.8-174.388.5-132.13.4113.5L83 A84 A85L83-R87 WeakPolarHBondContact O-CG 3.49Å; L83-R87 PolarHBondContact O-N 3.47Å; A84-R87 PolarHBondContact O-N 3.38Å; A84-R87 VanDerWaalsContact O-N 3.09Å; A85-R87 PolarHBondContact O-N 3.33Å
88Q50.5Low50.1Low169 Ų169113.4 Ų113.479%0.7967%0.672SS**THydrogen-bonded Turntrans-105.9-16.5168.3-62.3-170.4-77.600112.8A85 S90A85-Q88 WeakPolarHBondContact O-CA 3.14Å; A85-Q88 PolarHBondContact O-N 3.16Å; Q88-S90 PolarHBondContact O-N 3.4Å
89S40.2Very low47.9Very low80 Ų80112.5 Ų112.556%0.55968%0.682SS**  trans-76.361.7175.6640000113A85 S86A85-S89 PolarHBondContact O-N 3.35Å; A85-S89 VanDerWaalsContact O-N 3.09Å; S86-S89 WeakPolarHBondContact CA-OG 3.3Å; S86-S89 PolarHBondContact O-OG 3.13Å
90S36.6Very low45.7Very low89 Ų89114.4 Ų114.462%0.62269%0.694SS**  trans-126.993.5167.8-71.40000108.4Q88 S92Q88-S90 PolarHBondContact O-N 3.4Å; S90-S92 PolarHBondContact O-N 3.26Å
91P39.8Very low43.5Very low122 Ų122113.7 Ų113.779%0.79270%0.701SS**  trans-72.791179.229.4-33.5000110.2S93P91-S93 PolarHBondContact O-N 2.97Å
92S34.3Very low41.8Very low111 Ų111117.6 Ų117.678%0.77672%0.719SS**  trans-70.875.8172.1-62.50000111S90 S94S90-S92 PolarHBondContact O-N 3.26Å; S92-S94 PolarHBondContact O-N 2.91Å
93S32Very low39.6Very low109 Ų109117.6 Ų117.676%0.76273%0.729SS**  trans-75.171.1176.759.80000111.7P91 S95P91-S93 PolarHBondContact O-N 2.97Å; S93-S95 PolarHBondContact O-N 3.4Å
94S32Very low37.7Very low114 Ų114118 Ų11880%0.79774%0.74SS**  trans-78.880.7174.361.10000111.3S92S92-S94 PolarHBondContact O-N 2.91Å
95S33.3Very low36.4Very low108 Ų108122 Ų12276%0.75576%0.759SS**  trans-91.3107.5166.756.30000110S93 Q97S93-S95 PolarHBondContact O-N 3.4Å; S95-Q97 PolarHBondContact O-N 3.28Å
96S31.2Very low35.4Very low122 Ų122126.1 Ų126.185%0.85378%0.778SS**  trans-62.3125.4-179-50.20000112.4
97Q33.6Very low34.2Very low192 Ų192128.8 Ų128.890%0.89780%0.797SS**  trans-130.1131.4156.6-87.3-171.5-12.100112.1S95S95-Q97 PolarHBondContact O-N 3.28Å
98T28.3Very low33.3Very low132 Ų132122.1 Ų122.181%0.8179%0.794SS**  trans-35.1142.1177.3390000117.8
99S29.9Very low32.4Very low120 Ų120119.5 Ų119.584%0.83980%0.801SS**  trans-65.1135.9165.2-43.30000112.5
100T32.8Very low32.2Very low140 Ų140119.7 Ų119.786%0.85982%0.816SS**  trans-136.7156.7155.245.30000110.2
101T30.5Very low32.1Very low124 Ų124121 Ų12176%0.76183%0.825SS**  trans-108.8145.4-159.3-50.70000111.8
102V30.7Very low32Very low138 Ų138120.4 Ų120.484%0.83682%0.819SS**  trans37.1128.3164.5-61.50000120.8
103A26.3Very low32.2Very low97 Ų97121.6 Ų121.680%0.80282%0.822SS**  trans-157.2115.3134.700000110.6
104S29.4Very low32.1Very low116 Ų116121.5 Ų121.581%0.81182%0.821SS**  trans-92.1122.3165.253.50000109.4
105V30.9Very low32.2Very low141 Ų141121.1 Ų121.186%0.85582%0.818SS**  trans-128.2115.4170.2-74.90000110.6
106T33.4Very low32.4Very low142 Ų142126 Ų12687%0.87182%0.82SS**  trans-112.3103-178.917.40000110.9
107S30.3Very low32.9Very low127 Ų127125.9 Ų125.989%0.88882%0.817SS**  trans-178.1143.6157.644.30000110.1
108G32.3Very low33Very low72 Ų72123.5 Ų123.574%0.74281%0.81SS**  cis-177.5159.4-10.800000112.9
109A32.6Very low33.3Very low114 Ų114121.1 Ų121.194%0.94281%0.811SS**  trans55.4116.9165.600000119.7
110G35.5Very low33.4Very low83 Ų83120.3 Ų120.386%0.85681%0.811SS**  trans172.773.2171.900000113.8
111S34.2Very low33.4Very low117 Ų117119 Ų11982%0.81881%0.808SS**  trans-70.8152.1173-146.80000109.8
112T37.4Very low33.6Very low110 Ų110117.7 Ų117.768%0.67581%0.81SS**  cis-154.4174.741.8560000114.7
113T39.8Very low33.7Very low135 Ų135116.9 Ų116.983%0.82881%0.805SS**  trans78.6118.4161.860.10000121.2
114S29Very low33.9Very low108 Ų108117.9 Ų117.976%0.75581%0.807SS**  trans-50.1155.3161.2-1710000112.6
115S34.2Very low34.3Very low105 Ų105118.3 Ų118.373%0.73480%0.804SS**  cis-163.6159.247.6-51.80000115.7
116R38.2Very low34.4Very low211 Ų211119 Ų11980%0.79680%0.803SS**  trans-76.8156.4159.3-79.7-175168.8-160.5-2111.1
117P41.8Very low34.4Very low119 Ų119117 Ų11777%0.77379%0.794SS**  -117.6146.493.2-3.123.4000111.4
118L36.3Very low34.9Very low143 Ų143119.8 Ų119.875%0.74979%0.793SS**  687054.5-62.4-178.5000114.8
119G33.2Very low35.3Very low81 Ų81120.8 Ų120.884%0.83579%0.789SS**  trans38.2131.5133.600000122.6
120A31.9Very low35.8Very low103 Ų103121.3 Ų121.385%0.85178%0.78SS**  trans-143.6155.2153.400000110.5
121S33.3Very low36Very low114 Ų114124.4 Ų124.480%0.79778%0.776SS**  trans-73.3138.9178.7-175.60000112
122A34.1Very low36.6Very low96 Ų96126.3 Ų126.379%0.79378%0.776SS**  trans-106.179.3176.400000111.3S124A122-S124 PolarHBondContact O-N 3.25Å
123T33.9Very low36.7Very low120 Ų120126.4 Ų126.474%0.73678%0.782SS**  trans-67.6111.2165.3470000109.4T125T123-T125 PolarHBondContact O-N 3.36Å
124S30.6Very low36.9Very low119 Ų119123.6 Ų123.683%0.83278%0.779SS**  trans-71.9113.6-176.1-1730000112.3A122A122-S124 PolarHBondContact O-N 3.25Å
125T37Very low37.6Very low124 Ų124123 Ų12376%0.76178%0.78SS**  trans-113.2114.4161.840.90000109.3T123 S127T123-T125 PolarHBondContact O-N 3.36Å; T125-S127 PolarHBondContact O-N 2.85Å
126L33.7Very low38Very low157 Ų157124.9 Ų124.982%0.82279%0.788SS**  trans-72.989.4-173.9-179.463.9000111.7Q128L126-Q128 PolarHBondContact O-N 2.84Å
127S33.8Very low38.7Very low98 Ų98119.1 Ų119.169%0.68579%0.794SS**  trans-72.1118.5164.7-73.90000110.2T125 S129T125-S127 PolarHBondContact O-N 2.85Å; S127-S129 VanDerWaalsContact C-N 3.27Å; S127-S129 PolarHBondContact O-N 3.24Å
128Q39.4Very low38.8Very low186 Ų186117 Ų11787%0.86979%0.794SS**  trans-75.378.3171-71.3-158.696.500111.1L126 V130L126-Q128 PolarHBondContact O-N 2.84Å; Q128-V130 PolarHBondContact O-N 3.25Å
129S40.5Very low39.5Very low93 Ų93119.8 Ų119.865%0.6580%0.803SS**  trans-79.1105.2169.654.70000110.5S127 L131S127-S129 VanDerWaalsContact C-N 3.27Å; S127-S129 PolarHBondContact O-N 3.24Å; S129-L131 PolarHBondContact O-N 2.76Å
130V45Very low40.2Very low125 Ų125119 Ų11976%0.75880%0.795SS**  trans-68.6111170.1-176.20000108.8Q128 L132Q128-V130 PolarHBondContact O-N 3.25Å; V130-L132 HydrophobicContact CG1-CD1 3.81Å; V130-L132 PolarHBondContact O-N 2.96Å; V130-L132 VanDerWaalsContact O-N 3.13Å
131L39.2Very low40.9Very low149 Ų149121 Ų12178%0.7879%0.787SS**  trans-75.795.5176.8-73.8168.3000110.8S129 S133S129-L131 PolarHBondContact O-N 2.76Å; L131-S133 PolarHBondContact O-N 2.96Å
132L47.1Very low41.5Very low156 Ų156123.2 Ų123.282%0.81779%0.787SS**  trans-79.693.4159.9-95.769.4000109V130 G134V130-L132 HydrophobicContact CG1-CD1 3.81Å; V130-L132 PolarHBondContact O-N 2.96Å; V130-L132 VanDerWaalsContact O-N 3.13Å; L132-G134 PolarHBondContact O-N 3.04Å
133S38.8Very low42.3Very low113 Ų113127.7 Ų127.779%0.7978%0.784SS**  trans-69.289.6173.3-63.20000111.4L131L131-S133 PolarHBondContact O-N 2.96Å
134G44.3Very low43.1Very low76 Ų76128.3 Ų128.378%0.78478%0.782SS**  trans-94.492.2171.800000111.8L132L132-G134 PolarHBondContact O-N 3.04Å
135A44.2Very low44.5Very low94 Ų94133.4 Ų133.478%0.77778%0.783SS**  trans-100.792.3-179.900000112.2
136T42.3Very low44.9Very low146 Ų146132.6 Ų132.690%0.89678%0.778SS**SBendtrans-168.4148.3149.412.90000108.7
137G51.6Low45.3Very low90 Ų90132.2 Ų132.293%0.92878%0.777SS**  trans-79135.3-176.600000113.3
138G43.8Very low45.9Very low74 Ų74137.1 Ų137.176%0.76378%0.78SS**  trans-178.1128.6172.900000111.9G140G138-G140 PolarHBondContact O-N 3.41Å
139Q51.6Low46Very low202 Ų202133.5 Ų133.594%0.94478%0.776SS**  trans-70.5121.2176.7-69.8-75.41000109.9
140G47.2Very low46.3Very low65 Ų65136.5 Ų136.567%0.6778%0.783SS**  trans-173.949.8-171.700000116.6G138 M142G138-G140 PolarHBondContact O-N 3.41Å; G140-M142 VanDerWaalsContact C-N 3.33Å; G140-M142 PolarHBondContact O-N 3.22Å
141Q47.3Very low46.4Very low145 Ų145141.2 Ų141.268%0.67879%0.788SS**  trans-71.279.6178.5-71.6-75.840.800112.9Y143Q141-Y143 HydrophobicContact CB-CD2 4.19Å; Q141-Y143 HydrophobicContact CB-CE2 3.8Å; Q141-Y143 HydrophobicContact CG-CE2 4.49Å; Q141-Y143 WeakPolarHBondContact O-CD2 3.43Å; Q141-Y143 PolarHBondContact O-N 2.9Å
142M46.4Very low46.7Very low160 Ų160139.2 Ų139.279%0.78878%0.783SS**  trans-7885.1171.4-165.2-167-58.700110.7G140 L144G140-M142 VanDerWaalsContact C-N 3.33Å; G140-M142 PolarHBondContact O-N 3.22Å; M142-L144 HydrophobicContact CG-CD1 4.17Å; M142-L144 PolarHBondContact O-N 3.47Å; M142-L144 HydrophobicContact SD-CD1 3.87Å
143Y49.9Very low46.5Very low189 Ų189137.8 Ų137.874%0.74178%0.784SS**  trans-65.293.9174.2-71.2-82.1000111.8Q141 R145Q141-Y143 HydrophobicContact CB-CD2 4.19Å; Q141-Y143 HydrophobicContact CB-CE2 3.8Å; Q141-Y143 HydrophobicContact CG-CE2 4.49Å; Q141-Y143 WeakPolarHBondContact O-CD2 3.43Å; Q141-Y143 PolarHBondContact O-N 2.9Å; Y143-R145 VanDerWaalsContact C-N 3.31Å; Y143-R145 PolarHBondContact O-N 2.9Å
144L52.4Low46.5Very low133 Ų133140.8 Ų140.870%0.69679%0.787SS**  trans-63.494.4161.5-98.569.2000108.8M142 V146M142-L144 HydrophobicContact CG-CD1 4.17Å; M142-L144 PolarHBondContact O-N 3.47Å; M142-L144 HydrophobicContact SD-CD1 3.87Å; L144-V146 HydrophobicContact CB-CG2 4.33Å; L144-V146 PolarHBondContact O-N 3.35Å
145R58.8Low46.2Very low227 Ų227141.5 Ų141.586%0.85778%0.78SS**  trans-72.669.1173.8-167.6-171.9-65.6-167.90.2110Y143 N147Y143-R145 VanDerWaalsContact C-N 3.31Å; Y143-R145 PolarHBondContact O-N 2.9Å; R145-N147 PolarHBondContact O-N 3.02Å
146V45Very low45.8Very low106 Ų106142.8 Ų142.864%0.64278%0.781SS**  trans-6499.5171.6-175.80000107.5L144 R148L144-V146 HydrophobicContact CB-CG2 4.33Å; L144-V146 PolarHBondContact O-N 3.35Å; V146-R148 HydrophobicContact CG1-CB 4.31Å; V146-R148 PolarHBondContact O-N 3.33Å
147N42.9Very low45.7Very low149 Ų149143.8 Ų143.880%0.79778%0.775SS**  trans-77.959.6-174.6-159.9-3.1000111.2R145 S149R145-N147 PolarHBondContact O-N 3.02Å; N147-S149 PolarHBondContact O-N 3.3Å
148R46.9Very low45.1Very low201 Ų201146.3 Ų146.376%0.75877%0.767SS**  trans-81.9101.4178.1-152.2173.4-163.3133.42.7107.2V146 L150V146-R148 HydrophobicContact CG1-CB 4.31Å; V146-R148 PolarHBondContact O-N 3.33Å; R148-L150 PolarHBondContact O-N 2.93Å
149S40.8Very low44.7Very low111 Ų111150.3 Ų150.378%0.77677%0.769SS**  trans-59.4100.2-179.6-174.50000110.7N147 R151N147-S149 PolarHBondContact O-N 3.3Å; S149-R151 PolarHBondContact O-N 2.87Å
150L45.9Very low44Very low155 Ų155148.9 Ų148.981%0.81276%0.76SS**  trans-78.176.5176.5-70177.7000109.4R148R148-L150 PolarHBondContact O-N 2.93Å
151R47.3Very low43.7Very low224 Ų224153.3 Ų153.385%0.84577%0.765SS**PPolyproline II helixtrans-57.1123.9155.7-170.8-179.3-167.2173.95106.6S149S149-R151 PolarHBondContact O-N 2.87Å
152P46.5Very low43.4Very low107 Ų107152.6 Ų152.670%0.69577%0.773SS**PPolyproline II helixtrans-60.1135.7-175.623-33.2000109.8M154P152-M154 PolarHBondContact O-N 2.78Å
153P42.7Very low42.8Very low126 Ų126148.5 Ų148.582%0.81877%0.772SS**PPolyproline II helixtrans-61.2125.516927-32.3000107.7S155P153-S155 PolarHBondContact O-N 3.37Å
154M38.8Very low42.3Very low177 Ų177145.1 Ų145.187%0.87278%0.776SS**PPolyproline II helixtrans-53.2135.7171.652.4-173.561.600109.5P152P152-M154 PolarHBondContact O-N 2.78Å
155S37.3Very low41.4Very low90 Ų90145.7 Ų145.763%0.62979%0.785SS**PPolyproline II helixtrans-58.2138.4176.142.10000109.4P153 Q157P153-S155 PolarHBondContact O-N 3.37Å; S155-Q157 PolarHBondContact O-N 2.91Å
156P37.2Very low40.2Very low122 Ų122139.1 Ų139.179%0.79278%0.779SS**  trans-68.987.7168.629.3-32.7000107.6L158P156-L158 VanDerWaalsContact C-N 3.33Å; P156-L158 PolarHBondContact O-N 2.95Å
157Q38.7Very low39.4Very low167 Ų167141.2 Ų141.278%0.7879%0.793SS**  trans-60.8103.4164.5-76.6-170.9-12.700106.8S155 I159S155-Q157 PolarHBondContact O-N 2.91Å; Q157-I159 PolarHBondContact O-N 2.82Å
158L39.2Very low38.9Very low142 Ų142138.4 Ų138.474%0.74379%0.79SS**  trans-54.8112.7164.2-65.8169.9000106.4P156 F160P156-L158 VanDerWaalsContact C-N 3.33Å; P156-L158 PolarHBondContact O-N 2.95Å; L158-F160 HydrophobicContact CB-CD2 4.26Å; L158-F160 HydrophobicContact CD1-CD2 4.42Å; L158-F160 PolarHBondContact O-N 3.45Å
159I35.1Very low38.1Very low159 Ų159133.5 Ų133.582%0.81579%0.792SS**  trans-73.770.9163.2-56.7-179.3000106.3Q157 M161Q157-I159 PolarHBondContact O-N 2.82Å; I159-M161 PolarHBondContact O-N 2.83Å; I159-M161 VanDerWaalsContact O-N 3.11Å
160F37.2Very low37.5Very low171 Ų171134.8 Ų134.875%0.7580%0.795SS**  trans-66102.6159.5-120.1-83.8000105.4L158L158-F160 HydrophobicContact CB-CD2 4.26Å; L158-F160 HydrophobicContact CD1-CD2 4.42Å; L158-F160 PolarHBondContact O-N 3.45Å
161M42.3Very low36.8Very low158 Ų158131.3 Ų131.378%0.77879%0.789SS**PPolyproline II helixtrans-56.6125.9161.7-65.5-178.868.900106.6I159 G163I159-M161 PolarHBondContact O-N 2.83Å; I159-M161 VanDerWaalsContact O-N 3.11Å; M161-G163 PolarHBondContact O-N 3.01Å; M161-G163 VanDerWaalsContact O-N 3.07Å
162P41.1Very low35.9Very low130 Ų130126.9 Ų126.984%0.84479%0.787SS**PPolyproline II helixtrans-62.6117-177.224.4-32.8000109
163G33.3Very low35Very low74 Ų74128.9 Ų128.976%0.76380%0.797SS**PPolyproline II helixtrans-70.1136.6-176.400000111.8M161M161-G163 PolarHBondContact O-N 3.01Å; M161-G163 VanDerWaalsContact O-N 3.07Å
164S38.6Very low34.3Very low118 Ų118126.5 Ų126.583%0.82579%0.788SS**PPolyproline II helixtrans-73.5126.3162.445.90000110.1
165T34.6Very low33.7Very low146 Ų146126.7 Ų126.790%0.89679%0.786SS**  trans-158.5144.5156.6-68.50000107.8
166A32.3Very low33.2Very low88 Ų88130.9 Ų130.973%0.72780%0.796SS**  trans-104.9157.7-172.300000113.4
167T29.8Very low33.4Very low151 Ų151129.7 Ų129.793%0.92679%0.788SS**  trans-132.4146.6152.5-58.40000106.9
168A30.7Very low32.8Very low90 Ų90130.1 Ų130.174%0.74479%0.79SS**  trans-119156.5-153.600000116.4
169A30.6Very low32.3Very low98 Ų98128.8 Ų128.881%0.8179%0.793SS**  trans67.5156.8167.200000115.9
170V29.3Very low32Very low137 Ų137129 Ų12983%0.8379%0.791SS**  cis-131168.811.1174.30000110.4
171A29.4Very low31.5Very low83 Ų83127.5 Ų127.569%0.68679%0.786SS**  trans-26.7157.7169.400000118
172T28.9Very low30.9Very low130 Ų130127.5 Ų127.580%0.79878%0.784SS**  cis-148.8159.243.148.70000115.9
173V28.5Very low30.5Very low150 Ų150129.5 Ų129.591%0.90978%0.782SS**  trans-110.2130.9151.1158.70000107.5
174A27.8Very low30.1Very low75 Ų75134.4 Ų134.462%0.6279%0.785SS**  trans-154.4120.4170.400000111.2
175Q25.9Very low29.7Very low181 Ų181134.2 Ų134.285%0.84678%0.779SS**  trans63.4133.9159.3-61.5158.12.700116.2
176Q26.1Very low29.4Very low178 Ų178133.2 Ų133.283%0.83277%0.773SS**  60.1145.457.8-90.2-166.5-28.100115
177P41.3Very low30Very low97 Ų97134.5 Ų134.563%0.6377%0.774SS**  cis-136.8176.3-939.5-21.1000116.4
178Q27.1Very low29.8Very low176 Ų176131.7 Ų131.782%0.82277%0.766SS**  trans30.8132.4147.1-65.3165.5-91.300122.9
179S28.9Very low29.6Very low115 Ų115132.4 Ų132.480%0.80477%0.765SS**  -174.4122.8118.232.60000117.2
180Q28.2Very low29.5Very low163 Ų163132.8 Ų132.876%0.76276%0.762SS**  trans48.7118.2136.1-56.2-159.838.200125.5
181Q27.1Very low29.3Very low139 Ų139131.6 Ų131.665%0.6576%0.76SS**  81.1141.5124.5-69.2-164.159.200124.9
182Q29.1Very low29.2Very low158 Ų158134 Ų13474%0.73877%0.771SS**  trans65.5113.2159.5-66.8165.750.200117.3
183Q32.8Very low29.1Very low173 Ų173131.7 Ų131.781%0.80877%0.774SS**  86.1109.865.9-173.1165.9-3.200111.4
184E26.3Very low29.1Very low176 Ų176127.9 Ų127.982%0.82277%0.765SS**  -168.2128.491.7179.3163.5102.600115.3
185V30.1Very low29Very low114 Ų114133.4 Ų133.469%0.69178%0.778SS**  trans44.891.7141.1-173.80000123.1
186T26.9Very low29.4Very low126 Ų126128.9 Ų128.977%0.77377%0.766SS**  54.1164.8128.964.60000124.5
187P45.6Very low29.7Very low115 Ų115127.7 Ų127.775%0.74777%0.765SS**  cis-137.9-169-31.835.7-15.8000115
188A24.8Very low29.2Very low92 Ų92130.3 Ų130.376%0.7677%0.774SS**  trans79.4133.5161.300000117.9
189S27.6Very low29.6Very low105 Ų105128 Ų12873%0.73477%0.768SS**  cis-156.5158.9-1.4-97.50000113
190S27Very low30Very low106 Ų106130.8 Ų130.874%0.74177%0.768SS**  trans45.5105157.257.40000119.3
191S25.9Very low30.3Very low111 Ų111127.3 Ų127.378%0.77677%0.767SS**  89.8108.553.672.60000116.3
192S27.4Very low30.8Very low134 Ų134128.6 Ų128.694%0.93777%0.773SS**  trans174.7139.2136.840.70000112.4
193G26.2Very low30.9Very low82 Ų82127.6 Ų127.685%0.84577%0.773SS**  trans143.6132.8170.200000115.3
194G28.1Very low31.4Very low70 Ų70126.5 Ų126.572%0.72277%0.772SS**  trans88.6131.8-177.200000112.9
195Q27Very low31.8Very low190 Ų190122.7 Ų122.789%0.88877%0.77SS**  cis62.8133.645.2-62.6-166.9-107.600113.5
196S34.3Very low32.2Very low87 Ų87124.3 Ų124.361%0.60877%0.773SS**  cis-165.8172-6.1-1040000109
197D31.6Very low32.7Very low152 Ų152129.8 Ų129.881%0.81378%0.78SS**  trans58.1132.4160.9-72.8-134.3000120.5
198N31.2Very low32Very low153 Ų153127.8 Ų127.882%0.81878%0.78SS**  172.9175.895.5-153.5-9.9000111
199D36Very low32.3Very low128 Ų128130 Ų13068%0.68478%0.784SS**  trans-82.1158.4-163.8-93.3-69.3000118.7
200Q37.8Very low32.6Very low173 Ų173131 Ų13181%0.80879%0.785SS**  trans26.8118.7142.1-52-80.6-9.900120
201A33Very low33Very low90 Ų90131 Ų13174%0.74479%0.786SS**  174.3148.612100000116
202Q37.4Very low34.3Very low166 Ų166131.9 Ų131.978%0.77679%0.789SS**  trans58.6139.8146.4-113.463.4-3.700125.7
203N32.3Very low34.7Very low136 Ų136135.4 Ų135.473%0.72779%0.787SS**  trans63.7117.6161.8-68.7-59.4000118.6
204L43.6Very low35.2Very low151 Ų151134.7 Ų134.779%0.79178%0.78SS**  cis91.597.437.9-17474.2000114.1
205A34.8Very low35.4Very low96 Ų96138.2 Ų138.279%0.79379%0.787SS**  trans-158.474.4161.700000114.2
206I38Very low35.5Very low147 Ų147132.1 Ų132.175%0.75478%0.775SS**  trans28.9141.4147-25.2-177.4000121.8
207R36.3Very low35.1Very low242 Ų242134.4 Ų134.491%0.91379%0.785SS**  trans86.8112.6162.6-49.1-177.7-172.6-150-0.3115.8
208G31.1Very low35.2Very low73 Ų73136.2 Ų136.275%0.75379%0.786SS**  cis106112.5-11.700000116.2
209V32.9Very low35.1Very low137 Ų137134.3 Ų134.383%0.8378%0.78SS**  trans-157.3124.5150.8-97.40000110.9
210T33.6Very low34.5Very low126 Ų126136.9 Ų136.977%0.77379%0.787SS**  trans36145.2145.361.50000123.3
211S34.8Very low34.3Very low108 Ų108132.7 Ų132.776%0.75578%0.783SS**  cis-175.4137.9-21.9-99.70000109.2
212P53.3Low35Very low128 Ų128133.8 Ų133.883%0.83178%0.782SS**  trans-104.5175177.139.8-35.1000114.1
213K35.1Very low34.8Very low209 Ų209132.8 Ų132.891%0.90978%0.782SS**  trans-145.3134.2153.3-100.5174.5175.1175.60106.9
214G37.5Very low34.8Very low66 Ų66137.4 Ų137.468%0.6879%0.789SS**  cis96.2137.417.400000110
215V31Very low34.4Very low144 Ų144135.5 Ų135.587%0.87378%0.784SS**  cis-147.4143.213.6170.10000107.2
216G30.2Very low34.2Very low62 Ų62137.5 Ų137.564%0.63978%0.782SS**  64.8116.890.100000112.6
217V26.6Very low33.9Very low136 Ų136135.4 Ų135.482%0.82478%0.78SS**  cis123105.946.9148.50000108.1
218K31.9Very low33.6Very low190 Ų190128.5 Ų128.583%0.82677%0.774SS**  trans55.4127135.4-160.7-162.3-178.5-171.20120.4
219T29.8Very low33.6Very low112 Ų112130.1 Ų130.169%0.68777%0.774SS**  161.5159.1116.1-62.20000111.6
220E24Very low33.4Very low182 Ų182133.5 Ų133.585%0.8577%0.774SS**  trans89.1142.3155.3-136.5159.9114.600122.3
221A32.2Very low33.1Very low86 Ų86132.5 Ų132.571%0.71177%0.772SS**  trans-150.7150.1162.900000104.8
222P48Very low32.8Very low112 Ų112135.9 Ų135.973%0.72778%0.78SS**  -149.8-173.251.741.6-19.9000117.4
223D32.8Very low31.8Very low146 Ų146135 Ų13578%0.78177%0.773SS**  trans14.9131.7157.2-70.6-102.4000124.3
224R33.6Very low31.5Very low232 Ų232133 Ų13388%0.87577%0.766SS**  -154.1130.7120.3-78-144.1170.696.83.2110.1
225T34.9Very low31.9Very low112 Ų112135.2 Ų135.269%0.68777%0.769SS**  68124.781.4-36.70000111.9
226D31.4Very low31.8Very low138 Ų138131.8 Ų131.874%0.73875%0.751SS**  cis-158.1173.523.3-155.1-104.9000115.5
227S30.3Very low32Very low103 Ų103137.2 Ų137.272%0.7276%0.76SS**  trans92.6132.2142.5-95.70000125.9
228A31.6Very low32.9Very low96 Ų96136.3 Ų136.379%0.79376%0.757SS**  trans70.6144.6155.100000121.6
229S31Very low32.7Very low107 Ų107132.2 Ų132.275%0.74875%0.752SS**  cis-172.3145.5-32.1-107.70000111.5
230Y28.4Very low32.7Very low209 Ų209133.4 Ų133.482%0.8276%0.759SS**  trans18.8116158.5-71.4-91.9000120.4
231S27Very low33.3Very low105 Ų105129.9 Ų129.973%0.73475%0.752SS**  89122.172.4-67.30000116.6
232L29.1Very low33.2Very low178 Ų178133.9 Ų133.993%0.93276%0.756SS**  trans-144.3157.4149.9-173.458000108.7
233V30.6Very low32.3Very low110 Ų110133.7 Ų133.767%0.66776%0.758SS**  trans-135143-158.1170.20000113.7
234Q30.5Very low32.8Very low166 Ų166132.3 Ų132.378%0.77676%0.757SS**  trans70.4160.4163.4-86176.8-23.900119.6
235P44.2Very low32.6Very low114 Ų114127.3 Ų127.374%0.7476%0.757SS**  cis-125.4130.8-1.130.3-10.6000117.3
236S29.5Very low32.4Very low72 Ų72131 Ų13150%0.50376%0.764SS.*  40.3115.8123.2-47.80000123.7
237H34.3Very low32.7Very low175 Ų175130.6 Ų130.681%0.8177%0.769SS**  trans56.5160.213263.8-152.9000122.9
238P45.9Very low32.6Very low118 Ų118130.9 Ų130.977%0.76677%0.771SS**  cis-109-147.2-6.421.73.7000110.4
239S28.3Very low33.2Very low104 Ų104132 Ų13273%0.72777%0.77SS**  cis-157.216310.3-54.80000112
240T29.2Very low33.3Very low136 Ų136135.6 Ų135.683%0.83478%0.775SS**  trans-137.4162.515255.90000108.7
241P37.4Very low33.9Very low109 Ų109130.9 Ų130.971%0.70877%0.769SS**  -155.7163.2101.939.7-21000118.3
242Q28.8Very low34.7Very low170 Ų170131.7 Ų131.779%0.79477%0.773SS**  trans63.6102.9142.7-73.7172.7-2500123.7
243S29.3Very low35.1Very low108 Ų108132 Ų13276%0.75577%0.769SS**  72.1178.7119.2-480000118.8
244P43.2Very low35.6Very low117 Ų117134.3 Ų134.376%0.7678%0.776SS**  -136.3-164-87.343.2-25.5000114.8
245S30.2Very low35.7Very low127 Ų127135.6 Ų135.689%0.88878%0.779SS**  trans107.4165.7157.783.10000117.6
246K31Very low35.4Very low190 Ų190137.7 Ų137.783%0.82678%0.782SS**  trans-124.8142.2-155-176.1179.7179.5179.20109
247P36.3Very low35.8Very low129 Ų129139.9 Ų139.984%0.83879%0.794SS**  trans-64.7145.3-167.323.7-35000114.3
248S29.5Very low35.8Very low109 Ų109138 Ų13876%0.76280%0.796SS**  trans-114.3129.5175.1-179.90000110.2
249P42.8Very low34.9Very low120 Ų120142.7 Ų142.778%0.77980%0.8SS**PPolyproline II helixtrans-78.3137170.5-11.928.8000112
250Q34.4Very low35.8Very low182 Ų182142.8 Ų142.885%0.8580%0.798SS**PPolyproline II helixtrans-80.9145.7173.6-65176-63.400112.1
251P40.4Very low35.9Very low109 Ų109144.8 Ų144.871%0.70880%0.797SS**PPolyproline II helixtrans-79.7147.2164.733.3-33.3000111.4
252P43.5Very low36.1Very low123 Ų123145.3 Ų145.380%0.79980%0.801SS**PPolyproline II helixtrans-77.6146.2179.931-34.9000113.2
253H36.5Very low36.5Very low184 Ų184143.4 Ų143.485%0.85280%0.801SS**PPolyproline II helixtrans-73.6127.8179.8-64.4-101.4000112.6
254I41.9Very low36.5Very low159 Ų159145.6 Ų145.682%0.81580%0.804SS**PPolyproline II helixtrans-92.1127.8167.4-62.8177.4000109.1
255K33.6Very low36.2Very low193 Ų193147.5 Ų147.584%0.83981%0.807SS**PPolyproline II helixtrans-83128.3175.6-63.5177.5-179177.90109.7P257K255-P257 WeakPolarHBondContact O-CD 3.49Å
256I37.6Very low36.2Very low158 Ų158149.8 Ų149.881%0.8180%0.801SS**PPolyproline II helixtrans-89121.8175.3-58.7170.4000108.8
257P37.3Very low36.1Very low117 Ų117145 Ų14576%0.7680%0.797SS**PPolyproline II helixtrans-75.6125.4170.7-15.231.4000111.3K255K255-P257 WeakPolarHBondContact O-CD 3.49Å
258T34.6Very low35.9Very low137 Ų137146.8 Ų146.884%0.8479%0.794SS**PPolyproline II helixtrans-66.2135.4170.2-61.10000110.7
259Y27.9Very low36.4Very low216 Ų216147.5 Ų147.585%0.84780%0.796SS**  trans-111.5133.3171.7-148.8-87.3000110.1
260P46.7Very low35.9Very low105 Ų105148.5 Ų148.568%0.68280%0.8SS**PPolyproline II helixtrans-76.5143.5-175.830.1-34.9000112.9
261Q31.5Very low35.9Very low178 Ų178146 Ų14683%0.83280%0.802SS**PPolyproline II helixtrans-93.2129.5176.5-177.9-171.437.900110.8
262P40.1Very low35.5Very low120 Ų120146.4 Ų146.478%0.77981%0.808SS**PPolyproline II helixtrans-81.1143.6166.432.4-32.3000111.3
263T38.7Very low35.1Very low131 Ų131146.8 Ų146.880%0.80481%0.813SS**PPolyproline II helixtrans-87.5161.9-173.246.10000113.8
264N29.6Very low34.8Very low154 Ų154141.9 Ų141.982%0.82481%0.813SS**PPolyproline II helixtrans-97.2126.6-169.4-165.5-54.8000112
265L36.3Very low34.4Very low157 Ų157138.8 Ų138.882%0.82281%0.811SS**  trans-141.8116.9173.9-77.6179.3000113.8
266K30.2Very low34.3Very low174 Ų174135.1 Ų135.176%0.75781%0.809SS**  trans48.8118.3145.1-158.969.861.3174.70119.5
267A29.7Very low34.1Very low90 Ų90133.6 Ų133.674%0.74481%0.813SS**  trans-91.5147.1170.300000113.5
268H30.3Very low33.9Very low167 Ų167133.8 Ų133.877%0.77382%0.817SS**  trans-145134.8160-79.3-85.8000109.3
269P41.4Very low33.8Very low124 Ų124133.2 Ų133.281%0.80582%0.819SS**  trans-92.9135.3174.634.5-30.8000111.7
270V32.7Very low34.1Very low140 Ų140128.3 Ų128.385%0.84882%0.816SS**  trans-137.9135.3165.3-73.60000110.3
271S32.9Very low33.4Very low129 Ų129128.8 Ų128.890%0.90282%0.822SS**  trans-93.2138177.9-55.70000110.6
272S32.6Very low33.4Very low118 Ų118125.9 Ų125.983%0.82582%0.821SS**  trans-143.5115.1166.661.10000111.2
273S34.9Very low33.1Very low131 Ų131126.5 Ų126.592%0.91682%0.823SS**  trans-74.8133.1170.650.70000111.4
274G31.3Very low33.1Very low82 Ų82125.1 Ų125.185%0.84582%0.819SS**  trans-151.8137.8170.300000109.4
275A32.5Very low33.7Very low93 Ų93123.4 Ų123.477%0.76982%0.818SS**  trans-115.1157.7-164.300000114.1
276S31.6Very low34.7Very low116 Ų116121.9 Ų121.981%0.81181%0.81SS**  trans64.6105.4153-57.10000119.5
277S33.6Very low35.7Very low126 Ų126117.1 Ų117.188%0.88180%0.797SS**  -156.8140.7121.6-0.50000110.8
278S32.7Very low36.6Very low121 Ų121119.4 Ų119.485%0.84680%0.796SS**  trans-93.9140.1-174.3-55.60000112.2
279S33.1Very low37.2Very low126 Ų126116.5 Ų116.588%0.88179%0.794SS**  trans-153.894.5163.1-79.10000110.2
280S33Very low37.6Very low112 Ų112116.5 Ų116.578%0.78378%0.784SS**  trans-82.9126.5-18051.30000111.5
281S33.7Very low38.3Very low115 Ų115116.2 Ų116.280%0.80478%0.777SS**  trans-149.878.7171.8-760000110.5T283S281-T283 PolarHBondContact O-N 3.08Å
282S31Very low39.1Very low117 Ų117117.1 Ų117.182%0.81877%0.77SS**  trans-85.694.9-173.3-54.70000112.6S284S282-S284 PolarHBondContact O-N 3.34Å; S282-S284 VanDerWaalsContact O-N 3.09Å
283T34.1Very low40.1Very low134 Ų134118.4 Ų118.482%0.82277%0.767SS**  trans-81.175.3171.241.90000111.7S281 S285S281-T283 PolarHBondContact O-N 3.08Å; T283-S285 PolarHBondContact O-N 3.34Å; T283-S285 VanDerWaalsContact O-N 3.15Å
284S38.4Very low40.3Very low102 Ų102119.1 Ų119.171%0.71376%0.756SS**  trans-70.4106.6178.9-170.30000112.2S282 I286S282-S284 PolarHBondContact O-N 3.34Å; S282-S284 VanDerWaalsContact O-N 3.09Å; S284-I286 PolarHBondContact O-N 2.85Å
285S40.9Very low40.9Very low117 Ų117118.4 Ų118.482%0.81875%0.748SS**  trans-7995.6174.6-59.40000111.5T283T283-S285 PolarHBondContact O-N 3.34Å; T283-S285 VanDerWaalsContact O-N 3.15Å
286I57.3Low41.3Very low125 Ų125121 Ų12164%0.64176%0.755SS**  trans-76.6127.3177.8-59.1173000110.1S284 L288S284-I286 PolarHBondContact O-N 2.85Å; I286-L288 PolarHBondContact O-N 3.45Å
287P51.3Low41.8Very low75 Ų75126.2 Ų126.249%0.48776%0.757SS.*  trans-68.4128.8172.527.9-33.3000110.7S289 Q290P287-S289 PolarHBondContact O-N 2.85Å; P287-Q290 PolarHBondContact O-N 3.41Å; P287-Q290 VanDerWaalsContact O-N 3.14Å
288L48.8Very low41.7Very low137 Ų137126.3 Ų126.372%0.71775%0.752SS**G310 helixtrans-54.5-24.3-170.5-129.5157000114I286 Q290 L291I286-L288 PolarHBondContact O-N 3.45Å; L288-Q290 VanDerWaalsContact C-N 3.26Å; L288-Q290 PolarHBondContact O-N 2.88Å; L288-L291 PolarHBondContact O-N 2.9Å
289S44.2Very low41.7Very low106 Ų106128.5 Ų128.574%0.74175%0.754SS**G310 helixtrans-58.2-26.3177.3-39.40000115.3P287P287-S289 PolarHBondContact O-N 2.85Å
290Q48.1Very low41.8Very low125 Ų125128.9 Ų128.958%0.58475%0.75SS**G310 helixtrans-94.8-13.1-174.5-64.7-162.529.900114.8P287 L288 H294P287-Q290 PolarHBondContact O-N 3.41Å; P287-Q290 VanDerWaalsContact O-N 3.14Å; L288-Q290 VanDerWaalsContact C-N 3.26Å; L288-Q290 PolarHBondContact O-N 2.88Å; Q290-H294 PolarHBondContact O-ND1 3.31Å
291L48.8Very low41.7Very low134 Ų134130.4 Ų130.470%0.70276%0.756SS**G310 helixtrans-77.8-23.2-175.7-17159.3000113.1L288 L293L288-L291 PolarHBondContact O-N 2.9Å; L291-L293 VanDerWaalsContact C-N 3.28Å; L291-L293 PolarHBondContact O-N 3.48Å
292L49.6Very low41.6Very low147 Ų147128.2 Ų128.277%0.7775%0.751SS**G310 helixtrans-76.2-5.9-179.4-81117000115.1
293L53.4Low41.7Very low145 Ų145129.1 Ų129.176%0.75975%0.752SS**G310 helixtrans-116-3.4-170.1-123.870.5000115.9L291L291-L293 VanDerWaalsContact C-N 3.28Å; L291-L293 PolarHBondContact O-N 3.48Å
294H39.2Very low41.7Very low146 Ų146129.4 Ų129.468%0.67675%0.754SS**  trans-127.393.5-173-63.5110.5000112.4Q290Q290-H294 PolarHBondContact O-ND1 3.31Å
295G43.1Very low41.2Very low67 Ų67129 Ų12969%0.69176%0.756SS**  trans-71.9135.6172.600000112.8
296T41.4Very low41.5Very low147 Ų147128.9 Ų128.990%0.90275%0.753SS**  trans28.591153.855.60000117.3
297R41.7Very low40.1Very low227 Ų227129.7 Ų129.786%0.85776%0.764SS**  trans-115.299161-151.2178.6-154.5-84.62.6109.7
298T33Very low39.1Very low127 Ų127130.9 Ų130.978%0.77978%0.78SS**  trans-66.1140.2170.431.70000110.2
299L31.5Very low38.2Very low168 Ų168129 Ų12988%0.8878%0.784SS**  trans-94.7113.7175.2-71.6167.6000109.3
300T34.5Very low37.8Very low133 Ų133132.7 Ų132.782%0.81679%0.789SS**  trans-121.9144.8163.452.80000109.2
301T32.7Very low37Very low145 Ų145131.8 Ų131.889%0.8980%0.803SS**  trans-94.6109.1-165.447.50000112.8
302G31.2Very low36.2Very low69 Ų69132.7 Ų132.771%0.71181%0.807SS**  trans54.6120.2145.400000121
303T32Very low35.4Very low136 Ų136132.2 Ų132.283%0.83481%0.811SS**  -166.9146.8117.630.10000111.3
304T34.1Very low34.3Very low140 Ų140132.5 Ų132.586%0.85981%0.812SS**  trans20.3136.7159.148.70000122.9
305A28.6Very low34Very low93 Ų93131.4 Ų131.477%0.76982%0.816SS**  trans-85.2-173.5173.900000112.5
306P46.2Very low33.3Very low114 Ų114133 Ų13374%0.7482%0.816SS**  cis-138.3-164.62.243.4-24.4000115.8
307T28.6Very low32.8Very low143 Ų143133.9 Ų133.988%0.87782%0.815SS**  trans105.1148.3163.5-410000115.9
308A30.8Very low32.3Very low99 Ų99127.9 Ų127.982%0.81882%0.815SS**  trans-107.5153.2-166.800000114.1
309A30.2Very low32Very low97 Ų97128.4 Ų128.480%0.80282%0.818SS**  trans-154.5156.6161.300000110.5
310H34.3Very low32.1Very low185 Ų185126.3 Ų126.386%0.85682%0.817SS**  trans-82.9131.3179.9-65.8-109.3000111.4L312H310-L312 PolarHBondContact O-N 3.17Å
311A32.4Very low31.8Very low105 Ų105128.8 Ų128.887%0.86882%0.819SS**  trans-84.1100.8172.800000110.9
312L32.2Very low31.7Very low153 Ų153125.1 Ų125.180%0.80180%0.804SS**  trans-77.7138.4170.2-72.6170.2000110.8H310 L314H310-L312 PolarHBondContact O-N 3.17Å; L312-L314 PolarHBondContact O-N 2.97Å
313V31.7Very low31.6Very low138 Ų138130.3 Ų130.384%0.83681%0.81SS**  trans-76.2112.3171.7177.40000108.9
314L30.8Very low31.4Very low150 Ų150127.6 Ų127.679%0.78581%0.808SS**  trans-102.3105.6175.7-94.8161.9000110.9L312L312-L314 PolarHBondContact O-N 2.97Å
315T33Very low31.3Very low124 Ų124131 Ų13176%0.76181%0.807SS**  trans-91.9121.6164.654.10000109
316S29.3Very low32.4Very low100 Ų100131.9 Ų131.970%0.69980%0.804SS**  trans-130.3115-178.3-59.10000112
317N29.4Very low31.8Very low165 Ų165133.6 Ų133.688%0.88281%0.813SS**  trans-77.2149.9163.9-62.63.9000108.9
318A31Very low32.1Very low102 Ų102129.9 Ų129.984%0.84380%0.803SS**  trans-146.1135.2170.800000111.9
319T28.7Very low32.3Very low138 Ų138132.2 Ų132.285%0.84781%0.807SS**  trans-141.6119.1176.5-59.20000108.6
320S31.8Very low32.5Very low124 Ų124132.3 Ų132.387%0.86781%0.808SS**  trans-173.2154.1155.2-89.10000115
321Q28.6Very low32.5Very low184 Ų184129.7 Ų129.786%0.8681%0.805SS**  trans-76.9172.1167.4-63.4-80.415.700110.1
322A30.1Very low32.7Very low69 Ų69132.6 Ų132.657%0.5780%0.804SS**  cis-170.2170.3-21.900000110.7
323H28.9Very low32.6Very low178 Ų178134.2 Ų134.282%0.82481%0.805SS**  trans57.9120.3158-87.4-77000121.8
324G29.3Very low32.7Very low78 Ų78133.2 Ų133.280%0.80480%0.801SS**  trans179.5119.2161.500000111.9
325Y30.6Very low32.7Very low212 Ų212130.9 Ų130.983%0.83180%0.804SS**  trans-110.4170.9176-76.3-82.2000109.7
326P52.4Low33Very low111 Ų111131.6 Ų131.672%0.72181%0.807SS**  -135.9172.3-52.639.2-24.1000112.5
327V34.2Very low33.2Very low150 Ų150132.5 Ų132.591%0.90980%0.804SS**  trans-173144.8137.8137.30000107.3
328G33.7Very low33.5Very low65 Ų65129.1 Ų129.167%0.6780%0.799SS**  trans-120154.5-168.700000115.2
329T35.5Very low33.8Very low149 Ų149131.9 Ų131.991%0.91480%0.795SS**  trans-159.1161.5148.33.90000109.1
330A34.4Very low34.6Very low98 Ų98131.2 Ų131.281%0.8179%0.791SS**  trans-78.8145.6-159.100000115.1
331T34.3Very low34.9Very low130 Ų130133.1 Ų133.180%0.79879%0.79SS**  trans-133.6134.3162.845.10000110.4
332I36.1Very low35.6Very low167 Ų167129.7 Ų129.786%0.85678%0.782SS**  trans-90.5128.5-179.8-62172.1000108.8
333K30.5Very low36Very low186 Ų186132.8 Ų132.881%0.80979%0.793SS**  trans-104.1121176.1-76.2-177176177.50111.6A335K333-A335 PolarHBondContact O-N 3.41Å
334P34.9Very low36.3Very low118 Ų118131.4 Ų131.477%0.76679%0.787SS**  trans-70.1117.6157.9-12.628.6000109.2
335A30.5Very low36.9Very low101 Ų101132.4 Ų132.484%0.83578%0.78SS**  trans-92.798.617800000110.7K333 N337K333-A335 PolarHBondContact O-N 3.41Å; A335-N337 PolarHBondContact O-N 3.5Å
336V38.8Very low37Very low138 Ų138130.1 Ų130.184%0.83678%0.781SS**  trans-92.796.7174.3-171.60000109.2
337N32.7Very low36.4Very low119 Ų119133 Ų13364%0.63678%0.784SS**  trans-86111.4178.8-174-82.8000110.7A335 Q339A335-N337 PolarHBondContact O-N 3.5Å; N337-Q339 WeakPolarHBondContact OD1-CG 3.48Å; N337-Q339 PolarHBondContact OD1-NE2 2.84Å
338A35.7Very low36.4Very low94 Ų94135.1 Ų135.178%0.77778%0.782SS**  trans-94.195.1176.300000110.9
339Q38.8Very low36.3Very low160 Ų160137.7 Ų137.775%0.74878%0.784SS**  trans-89.4106.9170.9-91.7166.277.500111N337 L341N337-Q339 WeakPolarHBondContact OD1-CG 3.48Å; N337-Q339 PolarHBondContact OD1-NE2 2.84Å; Q339-L341 PolarHBondContact O-N 2.9Å
340T44.6Very low36.5Very low125 Ų125135.1 Ų135.177%0.76778%0.778SS**  trans-67111.5170.6-61.50000110.1V342T340-V342 HydrophobicContact CG2-CG2 4.2Å; T340-V342 PolarHBondContact O-N 3.34Å
341L38.4Very low36.5Very low164 Ų164138.5 Ų138.586%0.85978%0.782SS**  trans-7287.8173.3-73.5171.9000111Q339 V343Q339-L341 PolarHBondContact O-N 2.9Å; L341-V343 PolarHBondContact O-N 2.88Å
342V43.8Very low36.5Very low111 Ų111135.6 Ų135.667%0.67378%0.777SS**  trans-73.6107.5165.3-176.60000108.1T340 Q344T340-V342 HydrophobicContact CG2-CG2 4.2Å; T340-V342 PolarHBondContact O-N 3.34Å; V342-Q344 VanDerWaalsContact C-N 3.3Å; V342-Q344 PolarHBondContact O-N 3.38Å
343V36.8Very low36.4Very low135 Ų135133.9 Ų133.982%0.81878%0.775SS**  trans-74.285178.4-177.50000109.7L341L341-V343 PolarHBondContact O-N 2.88Å
344Q37.1Very low36.4Very low148 Ų148132.3 Ų132.369%0.69277%0.771SS**  trans-70.2124.5172.9-164.370.735.500109.5V342 L346V342-Q344 VanDerWaalsContact C-N 3.3Å; V342-Q344 PolarHBondContact O-N 3.38Å; Q344-L346 PolarHBondContact O-N 3.34Å
345P41.6Very low36.5Very low100 Ų100135.7 Ų135.765%0.64977%0.773SS**  trans-69105174.727-32.9000109.8Q347P345-Q347 PolarHBondContact O-N 3.28Å
346L33.1Very low36.6Very low163 Ų163136.7 Ų136.785%0.85377%0.774SS**  trans-69.797.6-173.4-174.569000111.7Q344 K348Q344-L346 PolarHBondContact O-N 3.34Å; L346-K348 PolarHBondContact O-N 2.96Å
347Q38.6Very low36.4Very low171 Ų171133.4 Ų133.480%0.79977%0.768SS**  trans-71.7120.6167.3-61.8-173.92500109P345 T349P345-Q347 PolarHBondContact O-N 3.28Å; Q347-T349 PolarHBondContact O-N 3.41Å
348K34Very low36.8Very low195 Ų195137.4 Ų137.485%0.84878%0.783SS**  trans-81.974.7-170.6-166.9-170.969.1174.80112.5L346L346-K348 PolarHBondContact O-N 2.96Å
349T32.8Very low37Very low119 Ų119138.6 Ų138.673%0.7379%0.786SS**  trans-81.6123.2165.6-57.30000109.5Q347Q347-T349 PolarHBondContact O-N 3.41Å
350A38.2Very low37.3Very low95 Ų95139.5 Ų139.579%0.78580%0.795SS**  trans-9611817700000110.8
351L35.8Very low37.5Very low170 Ų170136.5 Ų136.589%0.8979%0.789SS**  trans-136.1136.2163.2-78.3169.4000107
352G34.6Very low37.8Very low68 Ų68134.9 Ų134.970%0.70179%0.789SS**  trans-132.615216900000109.8
353T33.1Very low38Very low132 Ų132136.9 Ų136.981%0.8179%0.794SS**  trans-165.5166.5152.6-26.30000108.6
354E31Very low38.3Very low152 Ų152135.5 Ų135.571%0.7179%0.788SS**  trans63.384.1160.2-53.7-51.774.400121.7
355K36.1Very low38.7Very low189 Ų189136.3 Ų136.382%0.82280%0.795SS**  42.4112.3106.1-174.2-170.9-179.9-1750119.2
356S33.8Very low38.6Very low123 Ų123139.5 Ų139.586%0.8680%0.801SS**  154.9155.8124.3-168.80000113.4
357G33.1Very low38.9Very low69 Ų69137.1 Ų137.171%0.71180%0.796SS**  trans101.2117.5155.700000117.2
358H42.6Very low38.8Very low203 Ų203138.7 Ų138.794%0.9480%0.8SS**  trans-86.3133.2173.2-58.5-88.1000112.1
359S39.7Very low39.2Very low119 Ų119135.5 Ų135.583%0.83280%0.797SS**  trans-156.7152.3148.556.50000110.1
360N45.4Very low39.8Very low178 Ų178139.2 Ų139.295%0.95280%0.804SS**  trans-81.5125.8-176.3-70.4-69000111
361G46.9Very low40Very low62 Ų62143.9 Ų143.964%0.63981%0.809SS**  trans-126153.817400000111.8
362P46.2Very low40.3Very low130 Ų130138.8 Ų138.884%0.84480%0.797SS**PPolyproline II helixtrans-69.4142.6-17228-35.1000113P364P362-P364 WeakPolarHBondContact O-CD 3.47Å
363I47.3Very low41.1Very low153 Ų153143.7 Ų143.779%0.78581%0.807SS**PPolyproline II helixtrans-73.5118.7-176.7-59.9164.6000110.4I365I363-I365 PolarHBondContact O-N 3.43Å
364P44.2Very low41.9Very low107 Ų107148.3 Ų148.370%0.69581%0.809SS**PPolyproline II helixtrans-74.8118.5166.330.5-31.7000109.5P362 Q366P362-P364 WeakPolarHBondContact O-CD 3.47Å; P364-Q366 PolarHBondContact O-N 3.15Å
365I45.2Very low42.6Very low164 Ų164147.1 Ų147.184%0.84181%0.812SS**  trans-70.3101.1179.7-59.6174.3000109.4I363I363-I365 PolarHBondContact O-N 3.43Å
366Q38.7Very low42.7Very low167 Ų167143.9 Ų143.978%0.7881%0.81SS**  trans-74.3132.2170.3-69.4-173.6-6.100110.8P364 K368P364-Q366 PolarHBondContact O-N 3.15Å; Q366-K368 PolarHBondContact O-N 3.41Å
367P39.2Very low43.3Very low113 Ų113145.4 Ų145.473%0.73481%0.808SS**  trans-68.5127.3165.729.1-32.5000109.6T369P367-T369 PolarHBondContact O-N 2.91Å
368K37.2Very low43.8Very low204 Ų204151 Ų15189%0.88782%0.815SS**  trans-69.497.9179.4-71.2178.2178175.10111.4Q366Q366-K368 PolarHBondContact O-N 3.41Å
369T42.8Very low44Very low129 Ų129148.7 Ų148.779%0.79181%0.809SS**  trans-93.6115.6157.448.50000109.1P367 Q371P367-T369 PolarHBondContact O-N 2.91Å; T369-Q371 PolarHBondContact O-N 2.87Å
370F44.5Very low44.2Very low197 Ų197148.6 Ų148.686%0.86481%0.806SS**  trans-63.3134.7173.6-101.7-101.3000109.9G372F370-G372 PolarHBondContact O-N 2.8Å; F370-G372 VanDerWaalsContact O-N 3.11Å
371Q43Very low44.4Very low193 Ų193145.6 Ų145.690%0.90280%0.799SS**  trans-70.6106.3170-71.8-149.662.900110T369T369-Q371 PolarHBondContact O-N 2.87Å
372G41.3Very low44.3Very low62 Ų62154.3 Ų154.364%0.63981%0.812SS**  trans-107.8110167.800000110F370 R374F370-G372 PolarHBondContact O-N 2.8Å; F370-G372 VanDerWaalsContact O-N 3.11Å; G372-R374 PolarHBondContact O-N 2.88Å
373L51Low44.8Very low172 Ų172154.9 Ų154.990%0.90181%0.808SS**  trans-58.5106-177.7-73.9164000111.8
374R50.6Low45.2Very low229 Ų229152.4 Ų152.486%0.86480%0.802SS**  trans-135.9107.2167.8-59.6-65.7-85.8-166.6-6.8108.5G372G372-R374 PolarHBondContact O-N 2.88Å
375V45.6Very low45.8Very low126 Ų126152.6 Ų152.676%0.76480%0.803SS**  trans-55.6135.1170.2179.70000108.4L377V375-L377 VanDerWaalsContact C-N 3.35Å; V375-L377 PolarHBondContact O-N 3.05Å
376P39Very low46.2Very low121 Ų121150.4 Ų150.479%0.78680%0.8SS**  trans-66.597.2170.328-33.1000108.4Q378P376-Q378 PolarHBondContact O-N 2.91Å
377L44.8Very low47Very low155 Ų155150.5 Ų150.581%0.81280%0.804SS**  trans-66.2108.5179-161.475.4000108.1V375 L379V375-L377 VanDerWaalsContact C-N 3.35Å; V375-L377 PolarHBondContact O-N 3.05Å; L377-L379 PolarHBondContact O-N 2.92Å
378Q45.3Very low47.9Very low187 Ų187152.2 Ų152.287%0.87481%0.806SS**  trans-64.798.9-172-177.9173-26.400110.3P376 P380P376-Q378 PolarHBondContact O-N 2.91Å; Q378-P380 WeakPolarHBondContact O-CD 3.32Å
379L46.9Very low48.9Very low155 Ų155148.2 Ų148.281%0.81280%0.801SS**  trans-59.8125.1175.7-66.8174.7000109.3L377 S381L377-L379 PolarHBondContact O-N 2.92Å; L379-S381 PolarHBondContact O-N 3.02Å
380P42.9Very low49.2Very low117 Ų117146.4 Ų146.476%0.7680%0.799SS**  trans-57.4133.6171.7-24.534.8000110.2Q378 R382Q378-P380 WeakPolarHBondContact O-CD 3.32Å; P380-R382 PolarHBondContact O-N 3.44Å
381S48.9Very low49.7Very low114 Ų114142.5 Ų142.580%0.79779%0.793SS**  trans-62.4105.8174.238.30000109.1L379 N383L379-S381 PolarHBondContact O-N 3.02Å; S381-N383 PolarHBondContact O-N 3.25Å
382R46.1Very low50.3Low245 Ų245138.8 Ų138.893%0.92579%0.786SS**  trans-73.771.6-178.3-168176.5-176.3166.81.3110.6P380P380-R382 PolarHBondContact O-N 3.44Å
383N56.8Low50.7Low142 Ų142141.7 Ų141.776%0.75979%0.793SS**PPolyproline II helixtrans-58.4126173.4-148.310.7000108.1S381S381-N383 PolarHBondContact O-N 3.25Å
384P56.1Low50.1Low102 Ų102138.1 Ų138.166%0.66279%0.789SS**PPolyproline II helixtrans-64142175.427.1-33.7000109.5
385P56.7Low49.4Very low111 Ų111133 Ų13372%0.72179%0.788SS**PPolyproline II helixtrans-63.9148.5174.928.5-34.5000110.2I387P385-I387 PolarHBondContact O-N 2.92Å
386P53.4Low49Very low117 Ų117132.7 Ų132.776%0.7679%0.791SS**PPolyproline II helixtrans-61.4131174.126.9-33.9000109.9L388P386-L388 PolarHBondContact O-N 2.92Å
387I55Low49Very low170 Ų170131.7 Ų131.787%0.87279%0.787SS**PPolyproline II helixtrans-70.3117177.7-59.8173.5000108P385P385-I387 PolarHBondContact O-N 2.92Å
388L58.1Low48.4Very low149 Ų149132 Ų13278%0.7879%0.79SS**PPolyproline II helixtrans-71.1143.1173.7-68.1173.2000110.3P386P386-L388 PolarHBondContact O-N 2.92Å
389P58.4Low47.9Very low120 Ų120132 Ų13278%0.77979%0.79SS**PPolyproline II helixtrans-57.5142.4169.7-23.134000111.5
390A49.5Very low47.2Very low90 Ų90130 Ų13074%0.74479%0.788SS**PPolyproline II helixtrans-65.7143176.400000111.2
391P53.5Low46.7Very low115 Ų115130 Ų13075%0.74779%0.791SS**PPolyproline II helixtrans-67.6148.2176.729.1-35000111.2
392P57Low46.2Very low116 Ų116132.6 Ų132.675%0.75379%0.791SS**PPolyproline II helixtrans-66149.7173.129.3-34.8000111
393P50Low46.1Very low122 Ų122126.3 Ų126.379%0.79278%0.782SS**PPolyproline II helixtrans-62.9140.4174.927.6-34.4000110.7S395P393-S395 PolarHBondContact O-N 3.4Å
394A37.3Very low45.5Very low97 Ų97125 Ų12580%0.80278%0.781SS**PPolyproline II helixtrans-69.2124.3-17400000112.3S396A394-S396 PolarHBondContact O-N 2.92Å
395S37.1Very low44.9Very low122 Ų122128 Ų12885%0.85379%0.786SS**  trans-72.287.1176.1-57.60000111.7P393 S397P393-S395 PolarHBondContact O-N 3.4Å; S395-S397 PolarHBondContact O-N 3.14Å
396S37.2Very low44.2Very low119 Ų119129.5 Ų129.583%0.83279%0.786SS**  trans-76.489.6168.555.30000110.5A394 N398A394-S396 PolarHBondContact O-N 2.92Å; S396-N398 PolarHBondContact O-N 2.93Å
397S38.4Very low43.8Very low100 Ų100129 Ų12970%0.69978%0.783SS**  trans-69.7122.1172.155.50000111.7S395S395-S397 PolarHBondContact O-N 3.14Å
398N31Very low43.5Very low163 Ų163127.4 Ų127.487%0.87278%0.781SS**  trans-166.3140.9135.4-96.2-22.8000110.9S396S396-N398 PolarHBondContact O-N 2.93Å
399H34.8Very low42.9Very low186 Ų186128 Ų12886%0.86178%0.78SS**  trans-87.8146-177.4-77.9-118.7000112.5
400S32.9Very low42.4Very low112 Ų112130.1 Ų130.178%0.78378%0.783SS**  trans-173.2155.8130.225.60000112.9
401S33.6Very low42.1Very low117 Ų117131.4 Ų131.482%0.81878%0.781SS**  trans55.587.1167.853.60000120
402Q38.4Very low41.3Very low169 Ų169129 Ų12979%0.7978%0.778SS**  -89.7167.5128.3-82.1-98.7-18.900107.5
403P42.9Very low40.7Very low113 Ų113127.8 Ų127.873%0.73478%0.777SS**  cis-133-16223.745.6-27000112.2
404P43.6Very low40.3Very low115 Ų115133.1 Ų133.175%0.74778%0.782SS**  cis-126.3159.7-3.540.7-25.3000116.7
405H43.6Very low40.4Very low165 Ų165137.7 Ų137.776%0.76479%0.786SS**  trans-98.2131.3171.3-168.4-61.9000110P407H405-P407 WeakPolarHBondContact O-CD 3.26Å
406I41.7Very low40.3Very low142 Ų142137.3 Ų137.373%0.72878%0.784SS**  trans-82.2124.8174-63173.9000109.1
407P45Very low40.8Very low107 Ų107137.8 Ų137.870%0.69578%0.782SS**  trans-88.2114.117332.4-30000110.6H405 Q409H405-P407 WeakPolarHBondContact O-CD 3.26Å; P407-Q409 PolarHBondContact O-N 3.43Å
408V49.9Very low40.9Very low136 Ų136141.2 Ų141.282%0.82479%0.791SS**  trans-78.8111.6169.2-1770000108.8I410V408-I410 PolarHBondContact O-N 3.47Å
409Q45.7Very low41.1Very low163 Ų163136.9 Ų136.976%0.76279%0.785SS**  trans-87.7103.1-167.4-164.9-173.4-000111.5P407 V411P407-Q409 PolarHBondContact O-N 3.43Å; Q409-V411 HydrophobicContact CG-CG2 3.67Å; Q409-V411 PolarHBondContact O-N 3.23Å
410I46.7Very low41.2Very low163 Ų163131.2 Ų131.284%0.83678%0.777SS**  trans-84.799.5167.3-59.4-178.2000108.5V408V408-I410 PolarHBondContact O-N 3.47Å
411V43.4Very low41.3Very low117 Ų117132.5 Ų132.571%0.70978%0.781SS**  trans-87.2127.5178-178.70000110.4Q409Q409-V411 HydrophobicContact CG-CG2 3.67Å; Q409-V411 PolarHBondContact O-N 3.23Å
412G38.1Very low41.3Very low66 Ų66136.2 Ų136.268%0.6879%0.785SS**  trans115.8122.1165.600000114.3
413A42.7Very low41.2Very low90 Ų90132.6 Ų132.674%0.74478%0.784SS**  cis-153.3142.1-10.100000111.5
414R42.1Very low40.9Very low234 Ų234135.5 Ų135.588%0.88379%0.793SS**  trans49.688.1158-62177.2179.7-88-1.1117.2
415Q39.5Very low40.3Very low192 Ų192134 Ų13490%0.89779%0.79SS**  trans-65.9150.2131-68.1-171.819.200108.8
416S35.1Very low39.9Very low115 Ų115134 Ų13480%0.80479%0.794SS**  trans-14894.1171.9-1740000110.2
417T47.3Very low39.5Very low128 Ų128131.1 Ų131.179%0.78579%0.792SS**  trans-116.9104.4175.3-65.80000109
418L41Very low38.8Very low172 Ų172138.4 Ų138.490%0.90181%0.806SS**  trans-168.2150.3154.2-137.673.3000112
419G36Very low38Very low72 Ų72135.8 Ų135.874%0.74281%0.806SS**  trans73.692.7138.800000120.3
420G35.3Very low37.3Very low68 Ų68133.4 Ų133.470%0.70181%0.807SS**  58.2112.211100000122.1
421T35.8Very low36.8Very low139 Ų139131.7 Ų131.785%0.85381%0.808SS**  trans73159.3140.673.80000122
422Q33.8Very low36.4Very low195 Ų195131 Ų13191%0.91181%0.809SS**  trans78.5151.8173-53.2-145.762.400117.6
423A36.2Very low36.1Very low93 Ų93136 Ų13677%0.76981%0.814SS**  trans-123.7149.8-169.500000110.6
424L35.8Very low35.3Very low174 Ų174139.6 Ų139.691%0.91182%0.816SS**  trans-148.3156.4151.2-14865.8000110.1
425A32.2Very low34.7Very low83 Ų83131.5 Ų131.569%0.68681%0.805SS**  trans-91.8-159.3179.600000111.3
426L35.8Very low34.4Very low164 Ų164127.2 Ų127.286%0.85980%0.802SS**  trans82150.3176.7-47.5176.2000115.7
427A32.2Very low34.2Very low82 Ų82126 Ų12668%0.67880%0.799SS**  cis179138.5-48.300000108.6
428R31.2Very low33.4Very low261 Ų261126.5 Ų126.599%0.98580%0.802SS**  trans58.9138.2167.5-72.3-178.2167.1163.8-3.5117.8
429G31.4Very low33.1Very low80 Ų80125.9 Ų125.983%0.82580%0.799SS**  trans-171.752.5174.100000110.8
430S32.3Very low32.8Very low114 Ų114128.1 Ų128.180%0.79780%0.803SS**  trans-90.4129.5178.7-171.60000110.5
431C36.4Very low32.6Very low126 Ų126129 Ų12985%0.85180%0.798SS**  trans-136.6135.4157.258.40000108.1
432S33.8Very low32.6Very low104 Ų104128.4 Ų128.473%0.72780%0.8SS**  trans-109.4161.2-174.5-600000111.4
433Q32.5Very low32.7Very low170 Ų170122.6 Ų122.679%0.79478%0.781SS**  trans96141136.8-165.8162.3-6.900120
434E26.4Very low32.4Very low166 Ų166124.5 Ų124.578%0.77679%0.788SS**  trans81139.1160.1-126.749.7-104.500121.2
435G29.4Very low32.3Very low64 Ų64123.2 Ų123.266%0.6678%0.782SS**  trans120.885.615600000117.8
436A31.8Very low32.5Very low101 Ų101127.2 Ų127.284%0.83579%0.791SS**  trans47.8110.315000000120
437A31.3Very low32.5Very low90 Ų90125.5 Ų125.574%0.74479%0.787SS**  trans-85.1136.5164.700000112.3
438V31.5Very low32.5Very low138 Ų138130.5 Ų130.584%0.83680%0.799SS**  trans-131.895.9160.9-178.90000108.5S440V438-S440 PolarHBondContact O-N 3.36Å
439L33.4Very low32.6Very low160 Ų160123.8 Ų123.884%0.83879%0.787SS**  trans-90.799.5-179.3-70.5172.6000111.1S441L439-S441 PolarHBondContact O-N 2.89Å
440S30.6Very low32.6Very low118 Ų118124.3 Ų124.383%0.82578%0.783SS**  trans-79.669168.7-179.80000111V438V438-S440 PolarHBondContact O-N 3.36Å
441S30.4Very low32.5Very low87 Ų87124.1 Ų124.161%0.60878%0.782SS**  trans-90113.7-179.2-161.60000112.5L439 S443L439-S441 PolarHBondContact O-N 2.89Å; S441-S443 PolarHBondContact OG-OG 2.9Å
442S36Very low32.5Very low126 Ų126126 Ų12688%0.88178%0.781SS**  trans-106.268.9167.1-59.40000109.9
443S35.4Very low32.4Very low74 Ų74127.1 Ų127.152%0.51778%0.784SS.*  trans-110.2105.1-176.452.70000110.6S441 L445S441-S443 PolarHBondContact OG-OG 2.9Å; S443-L445 PolarHBondContact O-N 2.88Å
444S31.3Very low32.3Very low132 Ų132123.2 Ų123.292%0.92378%0.776SS**  trans-70.6127.2179-164.30000111.1
445L33.8Very low33Very low147 Ų147124.4 Ų124.477%0.7777%0.773SS**  trans-109.6118.4-173.6-71.2173.9000111.9S443S443-L445 PolarHBondContact O-N 2.88Å
446L35.4Very low33.3Very low168 Ų168130.1 Ų130.188%0.8878%0.783SS**  trans-141.675.1158.3-78.9-176.9000111
447T36.1Very low33.4Very low128 Ų128128.8 Ų128.879%0.78578%0.779SS**  trans-141.996.5162.3-58.60000108.4V449T447-V449 HydrophobicContact CG2-CG2 4.45Å
448M31.8Very low33.5Very low187 Ų187128.2 Ų128.292%0.92178%0.782SS**  trans-83.4115.5174.3-71.6-163.4-67.400110.6
449V33.3Very low33.6Very low120 Ų120128.2 Ų128.273%0.72778%0.782SS**  trans-126.5102.6161.2177.40000107.3T447T447-V449 HydrophobicContact CG2-CG2 4.45Å
450A31.1Very low33.7Very low91 Ų91127.3 Ų127.375%0.75278%0.783SS**  trans-105.986.7-179.200000110.4I452A450-I452 PolarHBondContact O-N 3.15Å
451S30.1Very low34Very low110 Ų110125.3 Ų125.377%0.76978%0.781SS**  trans-86.499.9170.9-59.60000109.9
452I37.3Very low34.4Very low164 Ų164133.4 Ų133.484%0.84180%0.798SS**  trans-94.8111.7176.949.3171.9000111.8A450A450-I452 PolarHBondContact O-N 3.15Å
453T31.2Very low34.3Very low129 Ų129130.8 Ų130.879%0.79179%0.791SS**  trans-135.7101.7166.1-71.90000108.7
454S31.6Very low34.2Very low88 Ų88134.7 Ų134.762%0.61581%0.811SS**  trans-155.6125.6154.9-166.60000113.1
455R40.8Very low34.4Very low191 Ų191132.3 Ų132.372%0.72181%0.807SS**  trans-41.5146.9158.758.8-88.1159.1-148.2-6.6115.2
456E35.7Very low34.3Very low184 Ų184133.3 Ų133.386%0.8681%0.813SS**  34.5138.4117.9-145.380.9160.500119.6
457G32.8Very low34.4Very low73 Ų73134.7 Ų134.775%0.75381%0.812SS**  trans154.416.5149.700000125.4
458G33.7Very low34.1Very low78 Ų78134.4 Ų134.480%0.80481%0.81SS**  trans63.3178150.500000124.1
459V33.9Very low34Very low137 Ų137133 Ų13383%0.8381%0.805SS**  trans84.295.5161.7-174.10000121.2
460V35.9Very low33.9Very low142 Ų142135.3 Ų135.386%0.86181%0.808SS**  trans61.2125.3133.3-177.60000122
461G36.2Very low33.7Very low76 Ų76137 Ų13778%0.78481%0.809SS**  trans-177.190.3162.800000115.9
462R39.2Very low34.5Very low256 Ų256136.3 Ų136.397%0.96680%0.802SS**  trans-27.3142.1179.1-71.4176.5160.3-147.1-2.6119.1
463G33.8Very low34Very low72 Ų72135.7 Ų135.774%0.74280%0.796SS**  trans179.888.4158.900000118.1
464V34Very low33.8Very low156 Ų156137.7 Ų137.795%0.94580%0.796SS**  trans9.9128.5161.1-72.10000122.1
465G33.9Very low33.6Very low81 Ų81137.8 Ų137.884%0.83580%0.802SS**  trans175.589.416500000115.4
466L33.5Very low33Very low169 Ų169133.2 Ų133.289%0.88581%0.805SS**  trans-87.7119.4-174.5-68165.9000114.2
467K36.1Very low33.8Very low197 Ų197130.1 Ų130.186%0.85780%0.801SS**  trans-16091146.6-58.4-166.9-175.1-178.70109.1
468T30Very low34.8Very low121 Ų121132.2 Ų132.274%0.74280%0.801SS**  67.3129.985.460.70000116.7
469L30.8Very low34.4Very low157 Ų157132.6 Ų132.682%0.82280%0.797SS**  trans74.7135.8174.3-56.3175000115.7
470Q30.4Very low34.1Very low170 Ų170135.3 Ų135.379%0.79480%0.801SS**  cis-155.5153.2-11.7-172.5164.5-2300110.2
471T27.4Very low33.8Very low126 Ų126132.7 Ų132.777%0.77379%0.794SS**  trans-103.5-173.3-177.9570000110.7
472P45.5Very low34.1Very low95 Ų95134.6 Ų134.662%0.61779%0.792SS**  cis-144-1654.242.6-21.1000116.8
473Q27.9Very low33.6Very low152 Ų152130.9 Ų130.971%0.7179%0.786SS**  trans67.6156.7151.9-109.7103.3-8.200119.7
474E26.8Very low33.4Very low170 Ų170133.6 Ų133.679%0.79479%0.788SS**  cis-144-151.2-17.1-153.4150.865.500110.7
475A27.4Very low33.2Very low90 Ų90133.8 Ų133.874%0.74478%0.778SS**  trans-131.6175.6-159.800000115.7
476A28.2Very low34Very low95 Ų95135.4 Ų135.479%0.78577%0.774SS**  trans84.1156.1154.100000120.3
477P53.2Low33.9Very low119 Ų119134.5 Ų134.577%0.77377%0.765SS**  trans-110.5-150.5-17747.1-35.6000110.2
478P52.9Low33.5Very low117 Ų117130.6 Ų130.676%0.7676%0.758SS**  cis-136.7-167.7-11.135.9-13.5000115.4
479A25.9Very low33.5Very low86 Ų86130.4 Ų130.471%0.71175%0.752SS**  trans117.7157.8131.900000121.1
480Q28Very low33.6Very low195 Ų195130.3 Ų130.391%0.91175%0.748SS**  trans83.2150163-56.4-166.40.100120.8
481A29.4Very low33.6Very low87 Ų87126.1 Ų126.172%0.71974%0.737SS**  trans-119177.7172.800000108.3
482P42Very low33.8Very low115 Ų115125.6 Ų125.675%0.74774%0.738SS**  -156165.372.941.6-20.8000118.4
483Q29.6Very low33.1Very low178 Ų178124.9 Ų124.983%0.83274%0.741SS**  trans41.6135.2132.9-159.8-173.32.900123
484V28.5Very low33.3Very low130 Ų130125.9 Ų125.979%0.78875%0.745SS**  165.3151.8123.2157.90000112.4
485H29.1Very low33.4Very low160 Ų160122.6 Ų122.674%0.74174%0.741SS**  trans-98.8-174.2179.9-126.751.8000110.6
486P51.3Low33.7Very low114 Ų114125.8 Ų125.874%0.7474%0.74SS**  cis-121.316534.48.619.1000114
487Q30.8Very low33.7Very low150 Ų150127.6 Ų127.670%0.70174%0.737SS**  cis93.7134.340-160.3-155-67.900114.2
488T28.7Very low32.7Very low115 Ų115125.1 Ų125.171%0.70673%0.733SS**  trans114.2134.5150.5-52.60000115.5
489N29.7Very low32.2Very low118 Ų118126.1 Ų126.163%0.63174%0.739SS**  cis-165.8158.9-30.3-153.617.1000109.8
490Q33.3Very low32.4Very low155 Ų155126.1 Ų126.172%0.72474%0.74SS**  trans7.3159.1138.3-72.6-176.379.900121.9
491S30.2Very low32.5Very low82 Ų82122 Ų12257%0.57373%0.732SS**  cis-172.4167.11.8-108.60000111.6
492S31.8Very low32.7Very low114 Ų114126.2 Ų126.280%0.79774%0.737SS**  trans62.5167.2146-68.50000120.2
493A29.6Very low32Very low81 Ų81125.7 Ų125.767%0.66974%0.736SS**  cis-169.3172.6-37.500000109.5
494Q31.8Very low32.1Very low173 Ų173122.8 Ų122.881%0.80874%0.735SS**  trans70.689.1140.3-162.4166.4-3300120.4
495S29.6Very low32.2Very low100 Ų100121.5 Ų121.570%0.69974%0.739SS**  87.3152.7119.7-64.50000124
496Q33.2Very low32.5Very low157 Ų157118.8 Ų118.873%0.73474%0.738SS**  trans94.6132.2140.4-92.41785900121.6
497N29.5Very low31.6Very low134 Ų134118 Ų11872%0.71774%0.735SS**  trans67.3117.9145.8-54.8-18.4000120.4
498G31Very low31.8Very low67 Ų67120 Ų12069%0.69174%0.744SS**  trans-77.8177.8135.700000110.5
499P42.6Very low31.8Very low137 Ų137119.8 Ų119.889%0.8975%0.747SS**  -143.2-153.353.442.4-23.5000114.5
500A29.9Very low32.6Very low87 Ų87119 Ų11972%0.71975%0.749SS**  trans-64.1-179.817500000113.4
501S31.2Very low32.4Very low108 Ų108117.5 Ų117.576%0.75575%0.751SS**  cis-149.8174.624.7-68.50000110.5
502Q32.1Very low32.6Very low176 Ų176120 Ų12082%0.82276%0.762SS**  -172.6121.578.9-88.1179.57.800109.1
503S28.8Very low32.8Very low103 Ų103120.7 Ų120.772%0.7276%0.761SS**  59.1132.910571.70000115.6
504S31.1Very low32.8Very low117 Ų117121.2 Ų121.282%0.81877%0.766SS**  cis-138.2-172.626.5-62.80000110.8
505A31.4Very low33.3Very low104 Ų104119 Ų11986%0.8677%0.766SS**  cis-146.3-127.312.800000113
506S34.8Very low33.9Very low102 Ų102119 Ų11971%0.71377%0.765SS**  trans-144144.3-167.1171.10000112.4
507S33Very low34.4Very low98 Ų98118 Ų11869%0.68577%0.771SS**  164.6118.7108.7-80.90000116
508Q33.9Very low34.6Very low191 Ų191117.2 Ų117.289%0.89378%0.776SS**  trans60.4165.5141-58.5-175.5-0.500120.5
509S28.6Very low34.7Very low111 Ų111123.3 Ų123.378%0.77679%0.787SS**  trans-147.2-164.9-158.765.70000110
510P47.9Very low34.1Very low101 Ų101122.9 Ų122.966%0.65679%0.787SS**  cis-134.9-169.3-20.931.4-9.5000114
511T28.8Very low34.3Very low125 Ų125130.1 Ų130.177%0.76780%0.796SS**  trans69.5164.4155.429.70000118.2
512V34.1Very low34.2Very low135 Ų135129.8 Ų129.882%0.81879%0.793SS**  cis-135.2156.723.2-178.90000113.2
513T35.9Very low34.3Very low127 Ų127127.6 Ų127.678%0.77979%0.792SS**  trans-75.3149.2178.7-440000115.6
514A30.2Very low34.6Very low93 Ų93132 Ų13277%0.76980%0.801SS**  trans-150.2154159.100000112.9
515P40.9Very low34.6Very low125 Ų125131.2 Ų131.281%0.81280%0.795SS**  trans-122.1-143-166.640.8-21000114.7
516P44Very low34.6Very low102 Ų102134 Ų13466%0.66280%0.795SS**  -93.7168.7-125.741.3-29.5000116.1
517P43.3Very low35Very low134 Ų134135 Ų13587%0.8780%0.8SS**  trans-76.1134.417631.1-35.2000113.2
518S32.5Very low34.7Very low118 Ų118138.5 Ų138.583%0.82581%0.805SS**  trans-112.1158.3177-80.10000113.2
519Q34.6Very low34.6Very low195 Ų195136.3 Ų136.391%0.91180%0.804SS**  trans-86.9152.3-174.6-55.616717.300111.7
520S30.2Very low34.8Very low128 Ų128136.5 Ų136.590%0.89580%0.801SS**  trans-115.7132.7169.5-660000111.9
521R32.8Very low34Very low240 Ų240140 Ų14091%0.90681%0.809SS**  trans-144.8178.9173.6-156.4179.1-175.9-114.52.8107.7
522S28.9Very low34Very low100 Ų100141 Ų14170%0.69981%0.805SS**  trans77.9135.6-174.4-52.80000113.2
523T34.6Very low34Very low131 Ų131139.9 Ų139.980%0.80479%0.79SS**  cis99.2127.620.668.80000116.1
524H34.8Very low33.8Very low194 Ų194142.4 Ų142.490%0.89879%0.785SS**  trans-24146.1170.8-78.7-97000119.7
525S31.3Very low33.9Very low101 Ų101149 Ų14971%0.70679%0.79SS**  trans-171122.4130.553.50000115
526L30.7Very low33.4Very low163 Ų163147.2 Ų147.285%0.85379%0.787SS**  trans57.5172.8137.4-86.966.5000121.4
527P43.6Very low32.8Very low124 Ų124146 Ų14681%0.80579%0.792SS**  cis-131.6-177-19.929.1-6.4000116.2
528Q28.2Very low32.3Very low171 Ų171145.6 Ų145.680%0.79979%0.787SS**  trans-69148.3174.7163.5-165.7-1.600116.8
529V30.1Very low32.4Very low144 Ų144145.7 Ų145.787%0.87378%0.783SS**  trans-144.9164.1153.4-169.30000110.4
530T33.3Very low32.5Very low115 Ų115142.6 Ų142.671%0.70678%0.778SS**  trans-103.8-179-164.6-50.50000114
531E31.5Very low32.8Very low176 Ų176144.4 Ų144.482%0.82278%0.777SS**  trans97.8151.5164.4-58.7-166.9130.300116.2
532E29.5Very low32.8Very low146 Ų146136.6 Ų136.668%0.68277%0.772SS**  cis-177.7149.4-32.6-163.9-155.245.100104.6
533Q33.3Very low33Very low111 Ų111139 Ų13952%0.51978%0.777SS.*  trans117.3131.7130.7-151.150.7-81.400121
534R32.2Very low33.2Very low179 Ų179136.8 Ų136.868%0.67577%0.766SS**  trans51.3123158-89.5174-172.881.29.6122.9
535R31.9Very low33.3Very low231 Ų231133.2 Ų133.287%0.87276%0.763SS**  54154.4119.8-73.5-173.8167.9-166.6-3.8121.1
536A31.1Very low33.3Very low89 Ų89132 Ų13274%0.73677%0.766SS**  cis-175.4145.9-24.100000110.8
537G31.2Very low33.3Very low76 Ų76129 Ų12978%0.78477%0.765SS**  trans72-176.3156.500000116.8
538V32.5Very low32.9Very low125 Ų125131.8 Ų131.876%0.75877%0.768SS**  cis-159.9144.4-13.591.80000109.9
539T33.8Very low33.2Very low120 Ų120129.6 Ų129.674%0.73677%0.766SS**  trans60.4164.5166.160.20000117.4
540T38.1Very low34Very low131 Ų131128 Ų12880%0.80476%0.759SS**  cis-152173.3-12.54.70000110.5
541N34.7Very low33.9Very low166 Ų166132 Ų13289%0.88877%0.769SS**  trans-84165.9173.2-54-52.2000113.6
542G33.8Very low33.8Very low76 Ų76127.3 Ų127.378%0.78477%0.768SS**  trans102.4159.9158.300000116.6
543D33.8Very low34.2Very low151 Ų151129.8 Ų129.881%0.80778%0.776SS**  cis-163.4168.2-14.2-168.634.3000112.5
544S38Very low34.1Very low83 Ų83133.1 Ų133.158%0.5879%0.792SS**  trans46.6107.2151.2-72.60000123.4
545S36.6Very low34.2Very low119 Ų119130.4 Ų130.483%0.83280%0.795SS**  32.7141.7123.366.80000124.2
546G30.8Very low34.4Very low75 Ų75127.3 Ų127.377%0.77380%0.796SS**  trans166.981.7147.800000121.3
547A32.6Very low34.6Very low101 Ų101127.6 Ų127.684%0.83580%0.798SS**  trans52.6169.5149.800000120.5
548Q33.8Very low34.8Very low183 Ų183129.4 Ų129.486%0.85580%0.798SS**  cis-136.1178.36.8-68.1-174.522.200113.3
549T35.2Very low35Very low124 Ų124132 Ų13276%0.76181%0.807SS**  trans-59.7168.2172.231.70000116.4
550P46.3Very low35.3Very low112 Ų112135 Ų13573%0.72781%0.81SS**  cis-150.3159.741.541.3-19.3000122.9
551Q30.6Very low35.7Very low199 Ų199140.1 Ų140.193%0.9382%0.815SS**  trans48.3132.5148.9-65-166.819.200123.4
552G30.1Very low35.9Very low76 Ų76141.2 Ų141.278%0.78481%0.812SS**  trans164.973.915900000117.6
553K37Very low36Very low199 Ų199143.4 Ų143.487%0.86582%0.815SS**  trans33.1112.5162.6-68.5172.2178.3173.60119
554Q33.2Very low36.1Very low181 Ų181143.8 Ų143.885%0.84682%0.817SS**  57.113186.1-86.7-158.4-25.900115.5
555V33.3Very low36.4Very low122 Ų122145.2 Ų145.274%0.73983%0.827SS**  cis-142.7152.4-2.7-167.70000108.1
556N35.4Very low36.3Very low166 Ų166143.3 Ų143.389%0.88883%0.826SS**  trans-143146.3159.4-147.3-4.4000111.2
557A35.5Very low36.8Very low94 Ų94145.7 Ų145.778%0.77783%0.831SS**  trans-97148.5-164.300000114.2
558S36.1Very low37.1Very low114 Ų114145 Ų14580%0.79783%0.825SS**  trans-155.6123.5167.4-1730000110.4
559L36.5Very low37.4Very low180 Ų180143.1 Ų143.194%0.94282%0.821SS**  trans-136.7132.7173.9-75.5178.1000110.3
560K39.2Very low37.8Very low183 Ų183144.1 Ų144.180%0.79682%0.821SS**  trans-121.7112.9-171.9-179172.465178.80110.3
561R48.1Very low38.1Very low239 Ų239147.1 Ų147.190%0.90283%0.825SS**  trans-117.3114.2164.2-57.3-166.1-65.5-159.73.2106.3
562K37.8Very low38.3Very low189 Ų189145.6 Ų145.682%0.82282%0.824SS**  64.599.659.6-63-165.2175.7-167.30111.2
563S36.8Very low38.5Very low121 Ų121144.7 Ų144.785%0.84681%0.814SS**  trans-91.2157.1160.3-47.40000109
564D34.9Very low38.9Very low159 Ų159141.4 Ų141.485%0.8581%0.813SS**  trans-146157.7170.4-148.3-65.8000109.4
565S44.3Very low39.1Very low114 Ų114138.2 Ų138.280%0.79781%0.811SS**  trans-152127.9-171-650000111.1
566G35.1Very low40.1Very low79 Ų79138 Ų13881%0.81481%0.812SS**  trans-146.7157.917700000112.5
567S41.1Very low40.3Very low125 Ų125136.1 Ų136.187%0.87481%0.809SS**  trans-157161.1-172.8-173.50000111
568A38.5Very low40.4Very low85 Ų85142 Ų14270%0.70281%0.811SS**  trans65146.6179.100000115
569N40.9Very low40.1Very low145 Ų145144.6 Ų144.678%0.77582%0.815SS**  cis-134.5-169-0.8-104.7-2.7000107.9
570D42.2Very low40.1Very low144 Ų144144.2 Ų144.277%0.7781%0.809SS**  cis-160-169.432.6-141.3-76.9000112.6
571E54.3Low40.1Very low175 Ų175141 Ų14182%0.81881%0.806SS**  trans-96.3176.9-153.3-71.9-88.774.500118.9
572D33.5Very low39.2Very low167 Ų167135.4 Ų135.489%0.89380%0.798SS**  trans96.9150.1154.9-146.9-133000120.8
573G34.9Very low38.9Very low57 Ų57136.7 Ų136.759%0.58880%0.798SS**  trans-108.3-146.3-165.400000115.8
574P45.1Very low38.4Very low130 Ų130136.5 Ų136.584%0.84479%0.788SS**  cis-131.7-168.11.143.3-26.9000114.9
575S36.6Very low38.4Very low115 Ų115136.2 Ų136.280%0.80478%0.781SS**  trans-123.3175.2166.9-61.50000109.5
576P54.9Low37.7Very low117 Ų117137.3 Ų137.376%0.7678%0.783SS**  cis-126.2-155.3-1.935.2-12.2000111.7
577P40.4Very low37.3Very low126 Ų126139.4 Ų139.482%0.81879%0.785SS**  -144.917083.337.4-19000116.5
578R36.9Very low36.9Very low218 Ų218137.7 Ų137.782%0.82378%0.779SS**  trans-102.3135.8-177.8162.7-167.7177.4-108.54.7111.5
579L30.7Very low37.8Very low168 Ų168139.5 Ų139.588%0.8878%0.783SS**  trans-141.1131.1162.4-72.6178.2000113.7
580Q36.6Very low37.9Very low173 Ų173138.9 Ų138.981%0.80879%0.787SS**  trans-138143152.7-81.3-171.2-1800106
581P38.4Very low37.2Very low115 Ų115135.2 Ų135.275%0.74778%0.784SS**  -154.7149.1125.134.1-14.7000118.3
582V29.2Very low36.2Very low121 Ų121135 Ų13573%0.73379%0.788SS**  trans68.5116.2133.6174.70000122.7D584V582-D584 WeakPolarHBondContact CG1-OD2 3.47Å
583R31.6Very low36.7Very low216 Ų216132.3 Ų132.382%0.81578%0.78SS**  -170.4130.9116.3-95.4-178174.7120.90.1107.1
584D27Very low36.5Very low118 Ų118136.2 Ų136.263%0.63179%0.792SS**  63.1135.464.8-56.8-54.8000112.9V582V582-D584 WeakPolarHBondContact CG1-OD2 3.47Å
585H35Very low35.8Very low153 Ų153134.9 Ų134.971%0.70879%0.785SS**  cis-148.3147.828.7-58.4-97.3000115.4
586T28.4Very low35.3Very low136 Ų136134.2 Ų134.283%0.83479%0.787SS**  35.7123.2129-450000123.6
587S27.8Very low34.1Very low124 Ų124132 Ų13287%0.86779%0.785SS**  -165.9168.7121.6-157.10000112.8
588A31.8Very low33.6Very low89 Ų89132.3 Ų132.374%0.73679%0.791SS**  trans-133.8170-165.200000114
589P57Low33.5Very low122 Ų122126.4 Ų126.479%0.79279%0.788SS**  trans-101.2172.4-164.940.2-36.8000115.6
590P42.8Very low33.7Very low132 Ų132124 Ų12486%0.85779%0.785SS**  -136.4172.1127.338.3-27.2000112.3
591G27.6Very low34Very low68 Ų68121.5 Ų121.570%0.70178%0.784SS**  cis169.5155.7-4.500000111.6
592N34.3Very low34.3Very low170 Ų170121.4 Ų121.491%0.90978%0.784SS**  trans-107.7149.7-178.6-79.7-2.8000113.5
593P43.1Very low34.9Very low110 Ų110121.8 Ų121.871%0.71479%0.789SS**  trans-123.9146.1136.816.73.8000110.2
594V31Very low34.8Very low139 Ų139116.1 Ų116.184%0.84279%0.788SS**  cis67.7132.843.8108.60000112
595S30.2Very low34.9Very low102 Ų102115.8 Ų115.871%0.71380%0.795SS**  cis-158.7168.820.1-1620000113.5
596A27.3Very low34.6Very low102 Ų102113.1 Ų113.184%0.84379%0.794SS**  trans46.4152.7153.600000122.3
597G29.1Very low34.9Very low70 Ų70112 Ų11272%0.72279%0.792SS**  cis165.2162.2-5.600000113
598S30.6Very low35.2Very low133 Ų133112 Ų11293%0.9379%0.789SS**  trans71146.6-178.6-123.80000116.1
599A34Very low35.3Very low93 Ų93113.6 Ų113.677%0.76979%0.789SS**  cis-148.8168.3-1.100000112.1
600S34.1Very low34.3Very low117 Ų117113.9 Ų113.982%0.81879%0.791SS**  trans-80.8169.9175.4-72.30000113.4
601P43.8Very low33.9Very low121 Ų121114.8 Ų114.879%0.78679%0.787SS**  cis-135.6-179.525.239.3-17.9000117.1
602P44.9Very low34.5Very low114 Ų114120 Ų12074%0.7480%0.798SS**  trans-98171.9-171.941.5-37.3000113.8
603P42.1Very low34.4Very low129 Ų129116.9 Ų116.984%0.83879%0.789SS**  -125.5-172.289.342.4-36.1000111.2
604A29.3Very low34.1Very low97 Ų97118.4 Ų118.480%0.80280%0.796SS**  cis-151173.610.800000113.3
605S27.7Very low34.2Very low110 Ų110117.3 Ų117.377%0.76980%0.795SS**  trans-145.5163.8163.9-168.90000105.7
606S29.8Very low34.7Very low98 Ų98124.1 Ų124.169%0.68581%0.805SS**  cis-154.1-179.718.1-46.50000109.9
607S33.6Very low34.8Very low113 Ų113123.2 Ų123.279%0.7981%0.806SS**  trans-66.6155.1157.349.30000112.3
608P35.6Very low35.1Very low124 Ų124124.7 Ų124.781%0.80581%0.811SS**  -142-179.9124.538-24.3000115
609T32.8Very low35.4Very low122 Ų122125 Ų12575%0.74881%0.812SS**  trans-70157.7-174.4460000115.7
610P37.4Very low35.5Very low128 Ų128125.9 Ų125.983%0.83181%0.812SS**  trans-70.8137.2178.230.1-35.8000113
611I33.6Very low35.7Very low150 Ų150129.7 Ų129.777%0.76982%0.817SS**  trans-106.5138.3170-65.5177.2000108.8
612L39.8Very low35.7Very low178 Ų178127.7 Ų127.793%0.93282%0.818SS**  trans-78.2122.4174.4-66.8171.4000110.4
613S31.7Very low35.3Very low104 Ų104131.7 Ų131.773%0.72783%0.827SS**  trans-119.7115.2173.8-69.10000111
614V38.5Very low35.1Very low142 Ų142136.1 Ų136.186%0.86183%0.827SS**  trans-93.3122165.5173.20000108.2
615S33.2Very low35.7Very low116 Ų116136 Ų13681%0.81183%0.826SS**  trans-129.1136.3171.5-68.60000110.4
616R38.9Very low36.6Very low245 Ų245135.8 Ų135.893%0.92583%0.825SS**  trans-112.5140.9173.3-76.6177.4168.1155.4-5.2109.6
617G31.5Very low37.4Very low84 Ų84135.9 Ų135.987%0.86682%0.823SS**  trans104.893.615300000117
618A34.5Very low37.8Very low101 Ų101136.7 Ų136.784%0.83583%0.825SS**  trans-155.7150.6145.200000107.9
619C37Very low37.9Very low139 Ų139139.4 Ų139.494%0.93983%0.827SS**  trans-107.1115.8-174.3-62.90000111.7
620S35.9Very low38.3Very low111 Ų111138 Ų13878%0.77683%0.828SS**  trans-153.1101.1168.259.50000112.7
621Q38.6Very low38.5Very low198 Ų198138.1 Ų138.193%0.92583%0.826SS**  trans26.691.3145.1-166.4172.2-6.800119.6
622G43.2Very low38.8Very low78 Ų78137.2 Ų137.280%0.80483%0.827SS**  70.174.4120.100000121.2
623E37.9Very low39Very low198 Ų198136.5 Ų136.593%0.92582%0.817SS**  trans-138.6153.7136.8-144.3-165.5136.200110.9A625E623-A625 PolarHBondContact O-N 3.22Å
624R37.8Very low39.7Very low223 Ų223136.2 Ų136.284%0.84281%0.812SS**  trans-95.977.4-164.3-168.4-174.6-174-87.37.1112.5
625A40.5Very low40Very low94 Ų94137.9 Ų137.978%0.77781%0.81SS**PPolyproline II helixtrans-54.3139.4173.200000112.6E623E623-A625 PolarHBondContact O-N 3.22Å
626S47.6Very low40.5Very low106 Ų106137 Ų13774%0.74180%0.8SS**PPolyproline II helixtrans-63.1144.2178.8-57.20000112.3
627P45.3Very low40.8Very low100 Ų100131.9 Ų131.965%0.64979%0.79SS**PPolyproline II helixtrans-63.7142.1171.228.5-34.4000110.2Q629P627-Q629 PolarHBondContact O-N 3.44Å
628P42.4Very low41.7Very low130 Ų130133.4 Ų133.484%0.84478%0.783SS**  trans-66.9110.3-17927-33.9000110.1A630P628-A630 PolarHBondContact O-N 2.85Å
629Q38.8Very low42.4Very low181 Ų181135.5 Ų135.585%0.84678%0.775SS**  trans-65.9125.2171.5-67.4-173.70.800109.1P627 V631P627-Q629 PolarHBondContact O-N 3.44Å; Q629-V631 PolarHBondContact O-N 2.77Å
630A39.9Very low42.8Very low91 Ų91136.4 Ų136.475%0.75277%0.77SS**  trans-65.9108.9175.200000109.2P628 V632P628-A630 PolarHBondContact O-N 2.85Å; A630-V632 VanDerWaalsContact C-N 3.29Å; A630-V632 PolarHBondContact O-N 3.39Å
631V41.3Very low43.5Very low132 Ų132137 Ų13780%0.876%0.763SS**  trans-69.589177-177.80000108.8Q629 K633Q629-V631 PolarHBondContact O-N 2.77Å; V631-K633 PolarHBondContact O-N 3.11Å
632V40.6Very low44.3Very low131 Ų131136.7 Ų136.779%0.79476%0.761SS**  trans-65.990.1165.9178.30000106.7A630 P634A630-V632 VanDerWaalsContact C-N 3.29Å; A630-V632 PolarHBondContact O-N 3.39Å; V632-P634 VanDerWaalsContact O-CD 3.24Å; V632-P634 WeakPolarHBondContact O-CD 3.41Å
633K44.3Very low44.8Very low163 Ų163136.5 Ų136.571%0.70976%0.759SS**  trans-56.7110.2-176.7-175.9174.9-177.8176.60109.2V631 H635V631-K633 PolarHBondContact O-N 3.11Å; K633-H635 PolarHBondContact O-N 3Å; K633-H635 VanDerWaalsContact O-N 3.13Å; K633-H635 PolarHBondContact O-ND1 3.32Å
634P46.8Very low45.1Very low98 Ų98135 Ų13564%0.63675%0.75SS**  trans-62.2123.4179.925.7-32.8000107.8V632 V636V632-P634 VanDerWaalsContact O-CD 3.24Å; V632-P634 WeakPolarHBondContact O-CD 3.41Å; P634-V636 PolarHBondContact O-N 3.09Å
635H43.3Very low45.7Very low177 Ų177130.5 Ų130.582%0.81975%0.747SS**  trans-75.682.2169.5-77.852.3000107.2K633 L637K633-H635 PolarHBondContact O-N 3Å; K633-H635 VanDerWaalsContact O-N 3.13Å; K633-H635 PolarHBondContact O-ND1 3.32Å; H635-L637 PolarHBondContact O-N 3.35Å
636V45.2Very low46.3Very low98 Ų98133.2 Ų133.259%0.59475%0.747SS**  trans-59.2105.1169.3179.60000106.3P634 T638P634-V636 PolarHBondContact O-N 3.09Å; V636-T638 VanDerWaalsContact C-N 3.27Å; V636-T638 HydrophobicContact CG1-CG2 4.15Å; V636-T638 PolarHBondContact O-N 3.25Å
637L43.8Very low46.3Very low136 Ų136136.5 Ų136.571%0.71275%0.751SS**  trans-76.686.1-177.4-168.565.6000107.5H635 H639H635-L637 PolarHBondContact O-N 3.35Å; L637-H639 VanDerWaalsContact CD2-NE2 3.31Å; L637-H639 WeakPolarHBondContact CD2-NE2 3.32Å; L637-H639 PolarHBondContact O-N 3.26Å
638T50.5Low46.8Very low117 Ų117139.9 Ų139.972%0.71876%0.758SS**  trans-68.476.5-177.554.60000110.6V636 L640V636-T638 VanDerWaalsContact C-N 3.27Å; V636-T638 HydrophobicContact CG1-CG2 4.15Å; V636-T638 PolarHBondContact O-N 3.25Å; T638-L640 VanDerWaalsContact C-N 3.25Å; T638-L640 PolarHBondContact O-N 3.02Å
639H48.8Very low46.9Very low145 Ų145136.9 Ų136.967%0.67175%0.751SS**  trans-65.991.8164.2-78.7-63.8000108.2L637 I641L637-H639 VanDerWaalsContact CD2-NE2 3.31Å; L637-H639 WeakPolarHBondContact CD2-NE2 3.32Å; L637-H639 PolarHBondContact O-N 3.26Å; H639-I641 PolarHBondContact O-N 2.88Å
640L45.8Very low47.4Very low158 Ų158133.5 Ų133.583%0.82775%0.754SS**  trans-68.684.3173.8-157.677.2000108.2T638 E642T638-L640 VanDerWaalsContact C-N 3.25Å; T638-L640 PolarHBondContact O-N 3.02Å; L640-E642 PolarHBondContact O-N 3.41Å
641I51.8Low47.5Very low124 Ų124136.8 Ų136.864%0.63675%0.754SS**  trans-68122.9171.4-59.8179.5000107.1H639 G643 F644H639-I641 PolarHBondContact O-N 2.88Å; I641-G643 PolarHBondContact O-N 2.97Å; I641-F644 PolarHBondContact O-N 3Å
642E54.5Low48.5Very low190 Ų190135.9 Ų135.989%0.88875%0.75SS**THydrogen-bonded Turntrans-43108.2-178-168.8172.6-17400112.1L640L640-E642 PolarHBondContact O-N 3.41Å
643G54.2Low48.3Very low74 Ų74138.8 Ų138.876%0.76375%0.753SS**THydrogen-bonded Turntrans105.2-11.4172.900000117.9I641I641-G643 PolarHBondContact O-N 2.97Å
644F45Very low48.7Very low166 Ų166136.1 Ų136.173%0.72875%0.752SS**  trans-122.8111.9-174.7-69.4-82.9000114.6I641 I646I641-F644 PolarHBondContact O-N 3Å; F644-I646 PolarHBondContact O-N 3.11Å
645V50.1Low48.5Very low130 Ų130137.8 Ų137.879%0.78876%0.76SS**  trans-80.8103.4166.3-179.90000108.7Q647V645-Q647 PolarHBondContact O-N 3.42Å
646I52.2Low48.5Very low151 Ų151134.7 Ų134.777%0.77476%0.757SS**  trans-78.199.1168.7-49.9177.2000107.5F644 E648F644-I646 PolarHBondContact O-N 3.11Å; I646-E648 PolarHBondContact O-N 3.22Å
647Q47.1Very low48.3Very low174 Ų174136 Ų13681%0.81377%0.765SS**  trans-8395.5173.3-173.7137.579.400108.8V645 G649V645-Q647 PolarHBondContact O-N 3.42Å; Q647-G649 PolarHBondContact O-N 3.34Å
648E55.9Low48.2Very low171 Ų171136.6 Ų136.680%0.79977%0.767SS**  trans-61119172.7-75.8-161.4137.800110.2I646I646-E648 PolarHBondContact O-N 3.22Å
649G44.6Very low47.9Very low68 Ų68138.3 Ų138.370%0.70177%0.767SS**  trans-75.9131.2167.100000110Q647 E651Q647-G649 PolarHBondContact O-N 3.34Å; G649-E651 PolarHBondContact O-N 2.96Å
650A48.8Very low47.5Very low109 Ų109139.9 Ų139.990%0.90177%0.772SS**  trans-77.884.1179.400000111.6
651E43.7Very low47.4Very low161 Ų161138.9 Ų138.975%0.75277%0.767SS**  trans-141.3106.9174-112.8-88.5110.800109G649G649-E651 PolarHBondContact O-N 2.96Å
652P61.4Low47.3Very low112 Ų112140.1 Ų140.173%0.72777%0.774SS**  trans-77.3132.2175.730.9-32.1000110.8
653F36.1Very low46.9Very low193 Ų193142.5 Ų142.585%0.84678%0.784SS**  trans-49.5130.1-176.2-63.9-88.8000113.6V655F653-V655 PolarHBondContact O-N 3.01Å; F653-V655 VanDerWaalsContact O-N 3.15Å
654P52.7Low46.5Very low107 Ų107145.9 Ų145.970%0.69579%0.785SS**  trans-69.5111.7177.826.9-33.8000111.4C656P654-C656 PolarHBondContact O-N 3.44Å; P654-C656 VanDerWaalsContact O-N 3.16Å
655V44.1Very low46.6Very low132 Ų132144.8 Ų144.880%0.879%0.788SS**  trans-77.194.7172.4-820000110.8F653 T657F653-V655 PolarHBondContact O-N 3.01Å; F653-V655 VanDerWaalsContact O-N 3.15Å; V655-T657 PolarHBondContact O-N 3.49Å
656C43.3Very low46.4Very low112 Ų112145.7 Ų145.776%0.75779%0.788SS**  trans-69.487.5174.8-66.20000112P654 I658P654-C656 PolarHBondContact O-N 3.44Å; P654-C656 VanDerWaalsContact O-N 3.16Å; C656-I658 PolarHBondContact O-N 2.83Å; C656-I658 VanDerWaalsContact O-N 3.1Å
657T39.2Very low46.1Very low126 Ų126145.4 Ų145.477%0.77379%0.789SS**  trans-68102172.2-56.30000110.7V655 H659V655-T657 PolarHBondContact O-N 3.49Å; T657-H659 PolarHBondContact O-N 3.47Å; T657-H659 VanDerWaalsContact O-N 3.17Å
658I42.4Very low46Very low148 Ų148143.6 Ų143.676%0.75979%0.787SS**  trans-76102.4174-59178000109.1C656 F660C656-I658 PolarHBondContact O-N 2.83Å; C656-I658 VanDerWaalsContact O-N 3.1Å; I658-F660 PolarHBondContact O-N 3.4Å
659H44.6Very low45.3Very low153 Ų153141.7 Ų141.771%0.70879%0.787SS**  trans-82.5100.2174.3-172.2-88.5000110.4T657 L661T657-H659 PolarHBondContact O-N 3.47Å; T657-H659 VanDerWaalsContact O-N 3.17Å; H659-L661 PolarHBondContact O-N 3.01Å
660F40.3Very low45.4Very low179 Ų179147 Ų14779%0.78579%0.793SS**  trans-7987.6-178.5-142.1-80.7000110.8I658 I662I658-F660 PolarHBondContact O-N 3.4Å; F660-I662 HydrophobicContact CD1-CG1 4.32Å; F660-I662 PolarHBondContact O-N 3.41Å
661L44.5Very low45.1Very low137 Ų137149.9 Ų149.972%0.71778%0.784SS**  trans-78.6112.6174.3-167.374000109.4H659H659-L661 PolarHBondContact O-N 3.01Å
662I48.5Very low45.2Very low150 Ų150149 Ų14977%0.76979%0.787SS**  trans-83.3136.5171.7-59.4175.1000108.5F660F660-I662 HydrophobicContact CD1-CG1 4.32Å; F660-I662 PolarHBondContact O-N 3.41Å
663H45.8Very low43.8Very low239 Ų239152.4 Ų152.4100%1.10679%0.792SS**  trans-143.90172.5-165.4-38000108.8

Retrieved 663 of 663 residues in 91 ms (Link to these results)