G4LYJ4_SCHMA Loading...

Pro-His-rich protein

AlphaFold DB , UniProt , Accession G4LYJ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.6Low57.2Low213 Ų213131.5 Ų131.5100%1.04964%0.642SS**  0-37.30-72.8-65.5174.700113.2L3M1-L3 PolarHBondContact O-N 3.4Å
2L58.3Low57Low151 Ų151127.8 Ų127.879%0.79163%0.625SS**Hα-helixtrans-60.1-30.3-177.9-90.9148.7000116.3I4 Y5 F6L2-I4 PolarHBondContact O-N 3.18Å; L2-Y5 PolarHBondContact O-N 3.28Å; L2-F6 PolarHBondContact O-N 2.92Å
3L56.3Low56.5Low154 Ų154123.2 Ų123.281%0.80661%0.613SS**Hα-helixtrans-68.6-33.5-176-72.7168.9000114M1 Y5 F6 Y7M1-L3 PolarHBondContact O-N 3.4Å; L3-Y5 VanDerWaalsContact C-N 3.34Å; L3-F6 PolarHBondContact O-N 2.81Å; L3-Y7 PolarHBondContact O-N 2.85Å
4I63.5Low56Low114 Ų114119.5 Ų119.559%0.58560%0.603SS**Hα-helixtrans-69.5-36180-72166.2000111L2 Y7 L8L2-I4 PolarHBondContact O-N 3.18Å; I4-Y7 PolarHBondContact O-N 2.91Å; I4-L8 HydrophobicContact CG2-CD1 4.14Å; I4-L8 PolarHBondContact O-N 2.77Å
5Y55.4Low55.5Low166 Ų166119.7 Ų119.765%0.65161%0.605SS**Hα-helixtrans-67.7-40.3178.7-113.2-86.6000112.1L2 L3 Y7 L8 I9L2-Y5 PolarHBondContact O-N 3.28Å; L3-Y5 VanDerWaalsContact C-N 3.34Å; Y5-Y7 VanDerWaalsContact C-N 3.31Å; Y5-Y7 PolarHBondContact O-N 3.39Å; Y5-L8 PolarHBondContact O-N 2.93Å; Y5-I9 HydrophobicContact CD1-CD1 4.2Å; Y5-I9 WeakPolarHBondContact O-CG1 3.48Å; Y5-I9 PolarHBondContact O-N 3.11Å
6F56.1Low54.7Low155 Ų155123.3 Ų123.368%0.6861%0.61SS**Hα-helixtrans-62.6-40.4175.1-120.6-86.9000111.3L2 L3 T10L2-F6 PolarHBondContact O-N 2.92Å; L3-F6 PolarHBondContact O-N 2.81Å; F6-T10 VanDerWaalsContact O-CB 3.31Å; F6-T10 WeakPolarHBondContact O-CB 3.19Å; F6-T10 PolarHBondContact O-N 3.26Å; F6-T10 PolarHBondContact O-OG1 2.96Å
7Y56.6Low53.9Low172 Ų172121.1 Ų121.168%0.67561%0.61SS**Hα-helixtrans-63.3-46.6176-166.9-99.5000112L3 I4 Y5 I9 T10 C11L3-Y7 PolarHBondContact O-N 2.85Å; I4-Y7 PolarHBondContact O-N 2.91Å; Y5-Y7 VanDerWaalsContact C-N 3.31Å; Y5-Y7 PolarHBondContact O-N 3.39Å; Y7-I9 PolarHBondContact O-N 2.55Å; Y7-T10 PolarHBondContact O-N 2.97Å; Y7-C11 WeakPolarHBondContact CE1-SG 3.38Å; Y7-C11 VanDerWaalsContact CZ-SG 3.54Å; Y7-C11 VanDerWaalsContact O-CB 3.28Å; Y7-C11 WeakPolarHBondContact O-CB 3.46Å; Y7-C11 PolarHBondContact O-N 3.31Å; Y7-C11 PolarHBondContact O-SG 3.26Å
8L55Low53.1Low90 Ų90120.7 Ų120.747%0.47161%0.605SS.*Hα-helixtrans-61.7-45.2178.2-84163.4000112.6I4 Y5 C11 I12I4-L8 HydrophobicContact CG2-CD1 4.14Å; I4-L8 PolarHBondContact O-N 2.77Å; Y5-L8 PolarHBondContact O-N 2.93Å; L8-C11 PolarHBondContact O-N 3.03Å; L8-I12 HydrophobicContact CD2-CD1 4.47Å; L8-I12 WeakPolarHBondContact O-CB 3.26Å; L8-I12 VanDerWaalsContact O-CD1 3.3Å; L8-I12 WeakPolarHBondContact O-CD1 3.44Å; L8-I12 WeakPolarHBondContact O-CG1 3.42Å; L8-I12 PolarHBondContact O-N 2.88Å
9I57.3Low52.5Low100 Ų100123.1 Ų123.151%0.51361%0.614SS.*Hα-helixtrans-66-41.9178.9-65.6168.2000110.5Y5 Y7 C11 I12 S13Y5-I9 HydrophobicContact CD1-CD1 4.2Å; Y5-I9 WeakPolarHBondContact O-CG1 3.48Å; Y5-I9 PolarHBondContact O-N 3.11Å; Y7-I9 PolarHBondContact O-N 2.55Å; I9-C11 VanDerWaalsContact C-N 3.34Å; I9-C11 PolarHBondContact O-N 3.37Å; I9-I12 PolarHBondContact O-N 3.13Å; I9-S13 WeakPolarHBondContact O-CB 3.29Å; I9-S13 PolarHBondContact O-N 3.3Å; I9-S13 PolarHBondContact O-OG 3.21Å
10T57.5Low51.9Low84 Ų84128.3 Ų128.352%0.51563%0.626SS.*Hα-helixtrans-71.3-30.7-179.6-42.90000111.7F6 Y7 P14F6-T10 VanDerWaalsContact O-CB 3.31Å; F6-T10 WeakPolarHBondContact O-CB 3.19Å; F6-T10 PolarHBondContact O-N 3.26Å; F6-T10 PolarHBondContact O-OG1 2.96Å; Y7-T10 PolarHBondContact O-N 2.97Å; T10-P14 WeakPolarHBondContact O-CD 3.41Å
11C56.1Low51.4Low48 Ų48130.5 Ų130.532%0.32463%0.629SS.*Hα-helixtrans-75.8-30174.8-70.80000113.1Y7 L8 I9 I15Y7-C11 WeakPolarHBondContact CE1-SG 3.38Å; Y7-C11 VanDerWaalsContact CZ-SG 3.54Å; Y7-C11 VanDerWaalsContact O-CB 3.28Å; Y7-C11 WeakPolarHBondContact O-CB 3.46Å; Y7-C11 PolarHBondContact O-N 3.31Å; Y7-C11 PolarHBondContact O-SG 3.26Å; L8-C11 PolarHBondContact O-N 3.03Å; I9-C11 VanDerWaalsContact C-N 3.34Å; I9-C11 PolarHBondContact O-N 3.37Å; C11-I15 VanDerWaalsContact O-CD1 3.22Å; C11-I15 WeakPolarHBondContact O-CD1 3.29Å; C11-I15 VanDerWaalsContact O-CG1 3.31Å; C11-I15 WeakPolarHBondContact O-CG1 3.43Å
12I54Low50.6Low87 Ų87125.5 Ų125.545%0.44662%0.615SS.*Hα-helixtrans-86.6-29.7-178.3-60.3162.8000111.6L8 I9 I15 Y16L8-I12 HydrophobicContact CD2-CD1 4.47Å; L8-I12 WeakPolarHBondContact O-CB 3.26Å; L8-I12 VanDerWaalsContact O-CD1 3.3Å; L8-I12 WeakPolarHBondContact O-CD1 3.44Å; L8-I12 WeakPolarHBondContact O-CG1 3.42Å; L8-I12 PolarHBondContact O-N 2.88Å; I9-I12 PolarHBondContact O-N 3.13Å; I12-I15 WeakPolarHBondContact O-CB 3.42Å; I12-I15 PolarHBondContact O-N 3.42Å; I12-I15 VanDerWaalsContact O-N 3.08Å; I12-Y16 HydrophobicContact CG2-CD2 4.31Å; I12-Y16 PolarHBondContact O-N 2.93Å; I12-Y16 VanDerWaalsContact O-N 3.17Å
13S51.2Low49.6Very low67 Ų67130.1 Ų130.147%0.46962%0.624SS.*Hα-helixtrans-60-41.1-179.4-59.80000115.3I9 I15 Y16 S17I9-S13 WeakPolarHBondContact O-CB 3.29Å; I9-S13 PolarHBondContact O-N 3.3Å; I9-S13 PolarHBondContact O-OG 3.21Å; S13-I15 VanDerWaalsContact C-N 3.29Å; S13-I15 PolarHBondContact O-N 3.4Å; S13-Y16 PolarHBondContact O-N 3.19Å; S13-S17 PolarHBondContact O-N 3.12Å; S13-S17 PolarHBondContact O-OG 2.83Å
14P48.9Very low49Very low72 Ų72129.4 Ų129.447%0.46862%0.621SS.*Hα-helixtrans-71-26.6173.725.7-31.8000112.1T10 Y16T10-P14 WeakPolarHBondContact O-CD 3.41Å; P14-Y16 VanDerWaalsContact C-N 3.32Å; P14-Y16 PolarHBondContact O-N 2.99Å
15I49.4Very low47.9Very low122 Ų122130.2 Ų130.263%0.62663%0.626SS**Hα-helixtrans-70.1-33.5179.4-53.6172.3000110.5C11 I12 S13C11-I15 VanDerWaalsContact O-CD1 3.22Å; C11-I15 WeakPolarHBondContact O-CD1 3.29Å; C11-I15 VanDerWaalsContact O-CG1 3.31Å; C11-I15 WeakPolarHBondContact O-CG1 3.43Å; I12-I15 WeakPolarHBondContact O-CB 3.42Å; I12-I15 PolarHBondContact O-N 3.42Å; I12-I15 VanDerWaalsContact O-N 3.08Å; S13-I15 VanDerWaalsContact C-N 3.29Å; S13-I15 PolarHBondContact O-N 3.4Å
16Y42.4Very low47.1Very low177 Ų177129.8 Ų129.869%0.69463%0.63SS**Hα-helixtrans-94.7-12.9-178.3-104.2-85.3000115.8I12 S13 P14I12-Y16 HydrophobicContact CG2-CD2 4.31Å; I12-Y16 PolarHBondContact O-N 2.93Å; I12-Y16 VanDerWaalsContact O-N 3.17Å; S13-Y16 PolarHBondContact O-N 3.19Å; P14-Y16 VanDerWaalsContact C-N 3.32Å; P14-Y16 PolarHBondContact O-N 2.99Å
17S40.7Very low46.6Very low86 Ų86129 Ų12960%0.60163%0.633SS**Hα-helixtrans-87-8.717843.30000113.8S13S13-S17 PolarHBondContact O-N 3.12Å; S13-S17 PolarHBondContact O-OG 2.83Å
18H39.2Very low46Very low114 Ų114128.4 Ų128.453%0.52864%0.641SS.*  trans-97.28.7-176-107.8-76000116.1R20 Y21H18-R20 PolarHBondContact O-N 3.34Å; H18-Y21 AromaticContact CE1-CD2 3.29Å; H18-Y21 WeakPolarHBondContact CE1-CD2 3.3Å; H18-Y21 AromaticContact CE1-CE2 3.13Å; H18-Y21 WeakPolarHBondContact CE1-CE2 3.5Å; H18-Y21 AromaticContact CE1-CZ 3.87Å; H18-Y21 AromaticContact ND1-CD2 2.98Å; H18-Y21 WeakPolarHBondContact ND1-CD2 3.36Å; H18-Y21 AromaticContact ND1-CE2 3.35Å; H18-Y21 VanDerWaalsContact ND1-CE2 3.35Å; H18-Y21 WeakPolarHBondContact ND1-CE2 3.29Å; H18-Y21 AromaticContact ND1-CG 3.81Å; H18-Y21 PolarHBondContact O-N 3.11Å
19E42.3Very low45.4Very low166 Ų166133.1 Ų133.178%0.77666%0.658SS**THydrogen-bonded Turntrans-72.412.9173.4-72.2-166.1163.600114.4
20R40.7Very low44.5Very low228 Ų228137.9 Ų137.986%0.8668%0.678SS**THydrogen-bonded Turntrans-109.717.3171.1-71.3-157.6-171.8-1674.9114.8H18H18-R20 PolarHBondContact O-N 3.34Å
21Y41.6Very low43.7Very low175 Ų175135.2 Ų135.269%0.68667%0.668SS**  trans-98.7102.1168.9-77-93.5000109.6H18 Y23H18-Y21 AromaticContact CE1-CD2 3.29Å; H18-Y21 WeakPolarHBondContact CE1-CD2 3.3Å; H18-Y21 AromaticContact CE1-CE2 3.13Å; H18-Y21 WeakPolarHBondContact CE1-CE2 3.5Å; H18-Y21 AromaticContact CE1-CZ 3.87Å; H18-Y21 AromaticContact ND1-CD2 2.98Å; H18-Y21 WeakPolarHBondContact ND1-CD2 3.36Å; H18-Y21 AromaticContact ND1-CE2 3.35Å; H18-Y21 VanDerWaalsContact ND1-CE2 3.35Å; H18-Y21 WeakPolarHBondContact ND1-CE2 3.29Å; H18-Y21 AromaticContact ND1-CG 3.81Å; H18-Y21 PolarHBondContact O-N 3.11Å; Y21-Y23 PolarHBondContact O-N 2.95Å
22S39.6Very low43.2Very low108 Ų108135.5 Ų135.576%0.75567%0.67SS**  trans-37.9117159.6-33.10000108.9D24S22-D24 VanDerWaalsContact C-N 3.3Å; S22-D24 PolarHBondContact O-N 3.39Å
23Y38.5Very low42.9Very low247 Ų247141.1 Ų141.197%0.96969%0.692SS**  trans-58.497163.4-102-100.4000107.4Y21Y21-Y23 PolarHBondContact O-N 2.95Å
24D42.2Very low42.6Very low139 Ų139145.7 Ų145.774%0.74370%0.704SS**  trans-125.2125.5168.2-159.523.9000106S22S22-D24 VanDerWaalsContact C-N 3.3Å; S22-D24 PolarHBondContact O-N 3.39Å
25D40.3Very low42.5Very low131 Ų131148 Ų14870%0.70171%0.712SS**  trans24.3109.6171.6-74.7-26.1000118.3
26H40.3Very low42.3Very low158 Ų158148.5 Ų148.573%0.73172%0.716SS**  55.1100.490.1-72.7-67.2000112.8
27D44Very low42.6Very low137 Ų137147.8 Ų147.873%0.73372%0.724SS**  136.44.4124.5-66.5-16.6000119.8
28D45Very low42.7Very low161 Ų161153.1 Ų153.186%0.86173%0.733SS**SBendtrans-118.623.7-176-68-26.5000117.1
29F41.3Very low42.8Very low189 Ų189150.6 Ų150.683%0.82974%0.737SS**  trans-143.456.4167.1-140.9-100.1000113.6G31F29-G31 PolarHBondContact O-N 3.12Å
30E40.1Very low42.8Very low199 Ų199147.6 Ų147.693%0.9374%0.735SS**  trans-63.659.4134.3-74.6-173.7157.600109.3S32E30-S32 VanDerWaalsContact C-N 3.26Å
31G40.6Very low42.8Very low28 Ų28145 Ų14529%0.28973%0.732SS.*  trans-100.166154.900000105.1F29 F33F29-G31 PolarHBondContact O-N 3.12Å; G31-F33 PolarHBondContact O-N 2.84Å
32S45.8Very low42.6Very low55 Ų55139.4 Ų139.439%0.38573%0.727SS.*  trans-49113.7170.235.70000106.9E30 F34 D35E30-S32 VanDerWaalsContact C-N 3.26Å; S32-F34 CarbonylContact O-C 3.39Å; S32-F34 PolarHBondContact O-N 3Å; S32-D35 PolarHBondContact O-N 3.24Å; S32-D35 VanDerWaalsContact O-OD2 3.14Å
33F47.3Very low42.5Very low204 Ų204136.7 Ų136.790%0.89572%0.716SS**THydrogen-bonded Turntrans-57.7-5163.9-176.7-99.2000112.2G31G31-F33 PolarHBondContact O-N 2.84Å
34F43.8Very low42.6Very low164 Ų164136 Ų13672%0.71971%0.714SS**THydrogen-bonded Turntrans-94.831.1164.2-56.1-74.7000112.7S32 D36S32-F34 CarbonylContact O-C 3.39Å; S32-F34 PolarHBondContact O-N 3Å; F34-D36 VanDerWaalsContact C-N 3.34Å; F34-D36 PolarHBondContact O-N 3.12Å
35D47.7Very low42.7Very low120 Ų120137.8 Ų137.864%0.64272%0.717SS**  trans-65105.5164.5-95.6-61000107.2S32 D37S32-D35 PolarHBondContact O-N 3.24Å; S32-D35 VanDerWaalsContact O-OD2 3.14Å; D35-D37 PolarHBondContact O-N 3.31Å
36D45.1Very low43Very low132 Ų132136.2 Ų136.271%0.70672%0.716SS**  trans-67.563.2-172-70.2-61.3000111.9F34 Y38 G39F34-D36 VanDerWaalsContact C-N 3.34Å; F34-D36 PolarHBondContact O-N 3.12Å; D36-Y38 CarbonylContact O-C 3.47Å; D36-Y38 PolarHBondContact O-N 3.37Å; D36-G39 PolarHBondContact O-N 3.08Å
37D47.7Very low42.7Very low163 Ų163131.6 Ų131.687%0.87271%0.712SS**  trans-69.911.6161.1-96.3-10.7000112.1D35 G39D35-D37 PolarHBondContact O-N 3.31Å; D37-G39 PolarHBondContact O-N 3.12Å
38Y43Very low42.4Very low198 Ų198132.3 Ų132.378%0.77672%0.716SS**  trans-70.552.7143.2-83.6-88.1000110.1D36 S40D36-Y38 CarbonylContact O-C 3.47Å; D36-Y38 PolarHBondContact O-N 3.37Å; Y38-S40 VanDerWaalsContact C-N 3.29Å; Y38-S40 PolarHBondContact O-N 3.4Å
39G41.8Very low42.2Very low60 Ų60134.9 Ų134.962%0.61972%0.715SS**  trans-53.4101.6158.100000107D36 D37D36-G39 PolarHBondContact O-N 3.08Å; D37-G39 PolarHBondContact O-N 3.12Å
40S42.6Very low42.7Very low104 Ų104131.5 Ų131.573%0.72771%0.705SS**  trans35.197.2158.3-157.10000112.9Y38 G42Y38-S40 VanDerWaalsContact C-N 3.29Å; Y38-S40 PolarHBondContact O-N 3.4Å; S40-G42 PolarHBondContact O-N 3.03Å
41H40.8Very low42.8Very low172 Ų172129 Ų12980%0.79670%0.699SS**  trans-55.587.4153.7-103.8-51.2000107.2G43H41-G43 PolarHBondContact O-N 2.74Å
42G36.9Very low43.1Very low58 Ų58134.9 Ų134.960%0.59872%0.718SS**  trans-53123.3175.600000106.2S40 Y44S40-G42 PolarHBondContact O-N 3.03Å; G42-Y44 PolarHBondContact O-N 3.48Å
43G38.2Very low43.1Very low51 Ų51137.4 Ų137.453%0.52673%0.733SS.*  trans-44.6139.4175.600000110.1H41 H45H41-G43 PolarHBondContact O-N 2.74Å; G43-H45 PolarHBondContact O-N 3.11Å
44Y40.4Very low43Very low234 Ų234136.7 Ų136.792%0.91873%0.733SS**  trans-36.982157.1-17.5-91.4000109.7G42G42-Y44 PolarHBondContact O-N 3.48Å
45H44.5Very low42.8Very low176 Ų176137.6 Ų137.682%0.81574%0.739SS**  trans-99.1101.4168.3-140.861000105.7G43 G47G43-H45 PolarHBondContact O-N 3.11Å; H45-G47 PolarHBondContact O-N 3.19Å
46S45.3Very low42.5Very low97 Ų97137 Ų13768%0.67874%0.741SS**  trans-32.8121.9164.846.10000110.6N48S46-N48 PolarHBondContact O-N 3.13Å
47G33.7Very low42.6Very low62 Ų62136.3 Ų136.364%0.63974%0.744SS**  trans-51114.4179.700000111.5H45H45-G47 PolarHBondContact O-N 3.19Å
48N39Very low42.5Very low151 Ų151132.4 Ų132.481%0.80774%0.735SS**  trans-95.9101.2152.8-152.722.9000105.1S46 D50S46-N48 PolarHBondContact O-N 3.13Å; N48-D50 PolarHBondContact O-N 3.06Å
49Y41.1Very low42.1Very low216 Ų216132 Ų13285%0.84774%0.74SS**  trans-70.478.3175.5-67-91.9000108.5
50D51.8Low42Very low117 Ų117136.2 Ų136.263%0.62675%0.748SS**  trans-98.892.7163.3-145.5-3.3000108.4N48 H52N48-D50 PolarHBondContact O-N 3.06Å; D50-H52 PolarHBondContact O-N 2.97Å; D50-H52 IonicContact OD1-CD2 3.6Å; D50-H52 IonicContact OD1-NE2 2.55Å; D50-H52 IonicContact OD2-CD2 2.83Å
51N42.5Very low41.7Very low148 Ų148136.3 Ų136.379%0.79175%0.748SS**  trans-7869.3-170.5-152.9-13.3000108.6P53N51-P53 WeakPolarHBondContact O-CD 3.48Å
52H45.9Very low41.5Very low150 Ų150133.8 Ų133.869%0.69475%0.747SS**  trans-97.6113.5171.8-76.3-49.1000110.1D50D50-H52 PolarHBondContact O-N 2.97Å; D50-H52 IonicContact OD1-CD2 3.6Å; D50-H52 IonicContact OD1-NE2 2.55Å; D50-H52 IonicContact OD2-CD2 2.83Å
53P46.2Very low41.3Very low109 Ų109134.6 Ų134.671%0.70876%0.756SS**  trans-56.4140.1179.4-23.833.1000112.6N51 H55N51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-H55 PolarHBondContact O-N 3.02Å
54Q46Very low41.1Very low188 Ų188141.4 Ų141.488%0.87977%0.774SS**  trans-47.8130.2172-66.5169.7-23.200112.4
55H38.5Very low40.7Very low183 Ų183133.8 Ų133.885%0.84777%0.767SS**  trans-105.8120.1147.6-85.7-85.7000107.6P53P53-H55 PolarHBondContact O-N 3.02Å
56P40.6Very low40.3Very low108 Ų108134.2 Ų134.270%0.70177%0.769SS**  trans-62.2143.5170.325.8-32000109.5A58P56-A58 PolarHBondContact O-N 2.95Å
57P48.8Very low40.1Very low118 Ų118135.4 Ų135.477%0.76677%0.774SS**  trans-58.3133.8179.522.6-31.3000110.2H59P57-H59 PolarHBondContact O-N 2.96Å
58A45Very low40.5Very low81 Ų81137.9 Ų137.967%0.66978%0.782SS**  trans-60.7111.3173.700000109P56 N60P56-A58 PolarHBondContact O-N 2.95Å; A58-N60 VanDerWaalsContact C-N 3.26Å; A58-N60 PolarHBondContact O-N 2.88Å
59H34.6Very low40.7Very low190 Ų190135.2 Ų135.288%0.8877%0.773SS**  trans-58.992.6161.3-102.4-89.7000107.8P57P57-H59 PolarHBondContact O-N 2.96Å
60N40.5Very low40.8Very low148 Ų148130.9 Ų130.979%0.79177%0.771SS**  trans-98.1121.5164-77-40.7000108A58A58-N60 VanDerWaalsContact C-N 3.26Å; A58-N60 PolarHBondContact O-N 2.88Å
61S34.9Very low40.1Very low105 Ų105135.6 Ų135.673%0.73478%0.782SS**  trans-52.1154.3-170.8-52.90000114.8G63S61-G63 PolarHBondContact O-N 3.46Å
62P37.2Very low40Very low119 Ų119133.8 Ų133.877%0.77378%0.778SS**  trans-66.6104.7177.728.4-32.8000109.4E64P62-E64 PolarHBondContact O-N 2.78Å
63G31.8Very low39.6Very low76 Ų76133.6 Ų133.678%0.78478%0.783SS**  trans-77.4108.3172.500000109.4S61 G65S61-G63 PolarHBondContact O-N 3.46Å; G63-G65 PolarHBondContact O-N 2.81Å; G63-G65 VanDerWaalsContact O-N 3.1Å
64E34.3Very low39.4Very low193 Ų193136 Ų13690%0.90279%0.789SS**  trans-65.1100.4175.2-48.3-168.4175.800108.6P62P62-E64 PolarHBondContact O-N 2.78Å
65G33.6Very low39.2Very low75 Ų75134.3 Ų134.377%0.77379%0.786SS**  trans-102.1116.2172.300000109.5G63G63-G65 PolarHBondContact O-N 2.81Å; G63-G65 VanDerWaalsContact O-N 3.1Å
66E35Very low39.4Very low184 Ų184134.7 Ų134.786%0.8679%0.789SS**  trans-42.7150-174.1-83.9172.8114.200117.4S68E66-S68 PolarHBondContact O-N 3.39Å
67P41.7Very low39.6Very low122 Ų122135.5 Ų135.579%0.79278%0.783SS**  trans-72.8115.3173.329.8-31.6000111.1
68S41.1Very low39.5Very low114 Ų114134.9 Ų134.980%0.79778%0.779SS**  trans-62.4134.8170.4-67.10000111E66E66-S68 PolarHBondContact O-N 3.39Å
69P44.4Very low39.6Very low95 Ų95137.1 Ų137.162%0.61779%0.786SS**  trans-65.6157.1-175.324.8-33.5000113.5Y71P69-Y71 PolarHBondContact O-N 3.34Å; P69-Y71 VanDerWaalsContact O-N 3.14Å
70P42.3Very low40.4Very low125 Ų125137.6 Ų137.681%0.81278%0.78SS**  trans-70.8109.3-17529.3-33000109.7
71Y38.3Very low40.9Very low216 Ų216134.7 Ų134.785%0.84778%0.777SS**  trans-72.8127.8165.9-87.4-89.8000109P69P69-Y71 PolarHBondContact O-N 3.34Å; P69-Y71 VanDerWaalsContact O-N 3.14Å
72P40Very low41.5Very low111 Ų111134.9 Ų134.972%0.72178%0.776SS**  trans-75.4146.5177.330.7-32.2000111.3
73D37.3Very low42Very low146 Ų146135.1 Ų135.178%0.78178%0.778SS**  trans-16.9124.4166.6-63.2-77.2000116.7
74D41.4Very low43.1Very low158 Ų158140.5 Ų140.585%0.84578%0.782SS**  trans-163.2-7.6138-117.2-35.8000115.9
75D42.4Very low43.5Very low154 Ų154140.3 Ų140.382%0.82478%0.779SS**  trans-110.178.8175.1-63.1-52000110.3E77D75-E77 PolarHBondContact O-N 3.28Å
76Q42.1Very low44.4Very low191 Ų191142.4 Ų142.489%0.89378%0.778SS**  trans-6373.7152.9-76.1-171.1-3.400108
77E45.1Very low45.1Very low125 Ų125142.9 Ų142.958%0.58478%0.78SS**PPolyproline II helixtrans-56.1124.5161.7-95.8-166.7161.200106.1D75 R80D75-E77 PolarHBondContact O-N 3.28Å; E77-R80 IonicContact OE2-CZ 2.74Å; E77-R80 IonicContact OE2-NE 3.49Å; E77-R80 PolarHBondContact OE2-NE 2.89Å; E77-R80 IonicContact OE2-NH2 2.69Å; E77-R80 PolarHBondContact OE2-NH2 2.98Å
78P47.3Very low45.3Very low105 Ų105140.9 Ų140.968%0.68277%0.774SS**PPolyproline II helixtrans-53.2146.9172.223.9-32.7000108.4R80P78-R80 PolarHBondContact O-N 3.33Å
79P46.7Very low45.9Very low127 Ų127141 Ų14183%0.82577%0.773SS**PPolyproline II helixtrans-47.7116.1-173.419.5-32.6000109.2A81P79-A81 PolarHBondContact O-N 2.91Å; P79-A81 VanDerWaalsContact O-N 3.09Å
80R51.9Low46.1Very low200 Ų200144.6 Ų144.676%0.75578%0.781SS**PPolyproline II helixtrans-48.1125173.8-83.1-179-177.1-144-3.1106.8E77 P78E77-R80 IonicContact OE2-CZ 2.74Å; E77-R80 IonicContact OE2-NE 3.49Å; E77-R80 PolarHBondContact OE2-NE 2.89Å; E77-R80 IonicContact OE2-NH2 2.69Å; E77-R80 PolarHBondContact OE2-NH2 2.98Å; P78-R80 PolarHBondContact O-N 3.33Å
81A49.9Very low46.3Very low87 Ų87146.5 Ų146.572%0.71978%0.779SS**PPolyproline II helixtrans-49.1137.8173.200000107.9P79P79-A81 PolarHBondContact O-N 2.91Å; P79-A81 VanDerWaalsContact O-N 3.09Å
82P47.4Very low46.8Very low110 Ų110141.7 Ų141.771%0.71477%0.774SS**PPolyproline II helixtrans-51.4143.3-177.521.6-32.9000109.3E84P82-E84 PolarHBondContact O-N 3.21Å
83P48Very low47.2Very low124 Ų124143.9 Ų143.981%0.80578%0.779SS**PPolyproline II helixtrans-48128.9-179.819.7-31.7000108.7K85P83-K85 PolarHBondContact O-N 3.07Å
84E55Low47.2Very low189 Ų189138.9 Ų138.988%0.88376%0.763SS**PPolyproline II helixtrans-47.2116.4174.6-75.1-177.5160.800107.1P82P82-E84 PolarHBondContact O-N 3.21Å
85K43.4Very low47.3Very low189 Ų189138.4 Ų138.482%0.82276%0.76SS**PPolyproline II helixtrans-52.2129-178.4-171.9177.4-176.1178.60106.3P83 E87P83-K85 PolarHBondContact O-N 3.07Å; K85-E87 PolarHBondContact O-N 2.81Å
86P52.4Low47.6Very low118 Ų118137.4 Ų137.477%0.76675%0.751SS**PPolyproline II helixtrans-46.6122.3-176.6-1.5-8.4000108.3A88P86-A88 PolarHBondContact O-N 2.73Å
87E49.4Very low47.7Very low194 Ų194135.6 Ų135.691%0.90775%0.747SS**  trans-49.4107.8180-143.1168.5-173.300105.9K85K85-E87 PolarHBondContact O-N 2.81Å
88A46.5Very low47.7Very low80 Ų80138.6 Ų138.666%0.66175%0.754SS**  trans-57.4138.8-176.200000106.6P86 H90P86-A88 PolarHBondContact O-N 2.73Å; A88-H90 PolarHBondContact O-N 3.29Å
89P53Low47.1Very low118 Ų118136.5 Ų136.577%0.76675%0.751SS**  trans-46.2122.9-177.2-25.731.7000109E91P89-E91 PolarHBondContact O-N 3.44Å
90H47.4Very low46.9Very low169 Ų169138.6 Ų138.678%0.78274%0.743SS**  trans-47.1106.4179.8-148.6-62.5000107.3A88 P92A88-H90 PolarHBondContact O-N 3.29Å; H90-P92 WeakPolarHBondContact O-CD 3.38Å; H90-P92 VanDerWaalsContact O-N 3.11Å
91E47Very low46.7Very low166 Ų166132.8 Ų132.878%0.77673%0.731SS**  trans-60.4122.3175.7-75.2-172.1174.700105.1P89 D93P89-E91 PolarHBondContact O-N 3.44Å; E91-D93 PolarHBondContact O-N 3.2Å; E91-D93 VanDerWaalsContact O-N 3.12Å
92P48.3Very low46.6Very low114 Ų114134.8 Ų134.874%0.7473%0.725SS**  trans-61.2124.2178.523.2-29.9000106.8H90 G94H90-P92 WeakPolarHBondContact O-CD 3.38Å; H90-P92 VanDerWaalsContact O-N 3.11Å; P92-G94 PolarHBondContact O-N 3.47Å
93D49.1Very low46.4Very low157 Ų157138.3 Ų138.384%0.8473%0.726SS**  trans-67.156.2163.4-68.5-49.7000108.6E91E91-D93 PolarHBondContact O-N 3.2Å; E91-D93 VanDerWaalsContact O-N 3.12Å
94G37.2Very low46.4Very low42 Ų42137.7 Ų137.743%0.43372%0.716SS.*  trans-105.587.8-174.500000107.1P92 E96P92-G94 PolarHBondContact O-N 3.47Å; G94-E96 PolarHBondContact O-N 3.45Å
95D44.8Very low45.9Very low148 Ų148136 Ų13679%0.79171%0.708SS**  trans-60.838157.863-9.8000112.4N97D95-N97 PolarHBondContact O-N 3.25Å
96E47Very low46.3Very low133 Ų133129.8 Ų129.862%0.62169%0.688SS**  trans-71.178.4178.1-68-173.6161.800108.5G94 Y98G94-E96 PolarHBondContact O-N 3.45Å; E96-Y98 HydrophobicContact CB-CD2 3.86Å; E96-Y98 HydrophobicContact CB-CE2 3.71Å; E96-Y98 HydrophobicContact CG-CE2 4.39Å; E96-Y98 PolarHBondContact O-N 3.19Å; E96-Y98 VanDerWaalsContact OE2-CE2 3.3Å; E96-Y98 WeakPolarHBondContact OE2-CE2 3.33Å
97N45.5Very low46.4Very low152 Ų152136.1 Ų136.181%0.81370%0.696SS**  trans-49.868.4153.7-17923000109.1D95 G99D95-N97 PolarHBondContact O-N 3.25Å; N97-G99 PolarHBondContact O-N 3.49Å
98Y45.3Very low46.4Very low189 Ų189135.2 Ų135.274%0.74169%0.686SS**  trans-69.477.2156.7-74.2-71.6000106.9E96 R100E96-Y98 HydrophobicContact CB-CD2 3.86Å; E96-Y98 HydrophobicContact CB-CE2 3.71Å; E96-Y98 HydrophobicContact CG-CE2 4.39Å; E96-Y98 PolarHBondContact O-N 3.19Å; E96-Y98 VanDerWaalsContact OE2-CE2 3.3Å; E96-Y98 WeakPolarHBondContact OE2-CE2 3.33Å; Y98-R100 PolarHBondContact O-N 3.39Å
99G33.5Very low46.4Very low60 Ų60136.9 Ų136.962%0.61968%0.68SS**  trans-60.280.816000000109.2N97 P101N97-G99 PolarHBondContact O-N 3.49Å; G99-P101 WeakPolarHBondContact O-CD 3.37Å
100R42.8Very low46.1Very low172 Ų172133.5 Ų133.565%0.64967%0.666SS**  trans-106.992.3147.9-158.8168.1-167.4-820.3106.7Y98 H102Y98-R100 PolarHBondContact O-N 3.39Å; R100-H102 VanDerWaalsContact C-N 3.3Å; R100-H102 PolarHBondContact O-CD2 3.46Å; R100-H102 VanDerWaalsContact O-CD2 3.27Å; R100-H102 PolarHBondContact O-N 3Å
101P47.8Very low46.2Very low78 Ų78133.8 Ų133.851%0.50666%0.662SS.*  trans-57.1106.5164.424.5-31.6000105.7G99 Y103G99-P101 WeakPolarHBondContact O-CD 3.37Å; P101-Y103 HydrophobicContact CB-CD2 3.9Å; P101-Y103 HydrophobicContact CB-CE2 3.66Å; P101-Y103 HydrophobicContact CG-CD2 3.88Å; P101-Y103 HydrophobicContact CG-CE2 3.47Å; P101-Y103 VanDerWaalsContact CG-CE2 3.47Å; P101-Y103 WeakPolarHBondContact O-CD2 3.31Å; P101-Y103 PolarHBondContact O-N 3.36Å
102H47.1Very low46.2Very low129 Ų129134.6 Ų134.660%0.59766%0.659SS**  trans-66.586.7168.1-75.9-97.1000105.7R100 N104R100-H102 VanDerWaalsContact C-N 3.3Å; R100-H102 PolarHBondContact O-CD2 3.46Å; R100-H102 VanDerWaalsContact O-CD2 3.27Å; R100-H102 PolarHBondContact O-N 3Å; H102-N104 PolarHBondContact O-N 2.98Å
103Y44.5Very low46.5Very low183 Ų183135.6 Ų135.672%0.71866%0.658SS**  trans-66.426.4161.6-72.9-77.4000111.4P101 H105P101-Y103 HydrophobicContact CB-CD2 3.9Å; P101-Y103 HydrophobicContact CB-CE2 3.66Å; P101-Y103 HydrophobicContact CG-CD2 3.88Å; P101-Y103 HydrophobicContact CG-CE2 3.47Å; P101-Y103 VanDerWaalsContact CG-CE2 3.47Å; P101-Y103 WeakPolarHBondContact O-CD2 3.31Å; P101-Y103 PolarHBondContact O-N 3.36Å; Y103-H105 PolarHBondContact O-N 3.03Å
104N48.5Very low46.8Very low112 Ų112131.6 Ų131.660%0.59964%0.637SS**  trans-74.759154.9-64-16.5000107.4H102 S106H102-N104 PolarHBondContact O-N 2.98Å; N104-S106 PolarHBondContact O-N 2.79Å
105H44.4Very low47.5Very low154 Ų154133.3 Ų133.371%0.71364%0.636SS**  trans-63.873.4141.4-67.4-55.8000105.6Y103 R107Y103-H105 PolarHBondContact O-N 3.03Å; H105-R107 PolarHBondContact O-N 3.23Å; H105-R107 VanDerWaalsContact O-N 3.12Å
106S51.5Low48.2Very low58 Ų58132.6 Ų132.641%0.40663%0.632SS.*  trans-49.6126.3157.470.50000103.9N104 Y108 H109N104-S106 PolarHBondContact O-N 2.79Å; S106-Y108 PolarHBondContact O-N 3.35Å; S106-H109 PolarHBondContact O-CD2 3.31Å; S106-H109 PolarHBondContact O-N 3.02Å; S106-H109 PolarHBondContact OG-CD2 3.32Å; S106-H109 VanDerWaalsContact OG-CD2 3.27Å; S106-H109 PolarHBondContact OG-NE2 2.61Å
107R53.4Low48.8Very low251 Ų251132.2 Ų132.295%0.94763%0.628SS**THydrogen-bonded Turntrans-6415.9-176.9-152.3179.4-84.1175.2-6.6112.2H105H105-R107 PolarHBondContact O-N 3.23Å; H105-R107 VanDerWaalsContact O-N 3.12Å
108Y50Low49.1Very low174 Ų174131.5 Ų131.568%0.68262%0.615SS**THydrogen-bonded Turntrans-120.813.3-170.5-87.8-81.5000113.1S106 G110 Y111S106-Y108 PolarHBondContact O-N 3.35Å; Y108-G110 PolarHBondContact O-N 2.95Å; Y108-Y111 HydrophobicContact CD1-CD2 4.42Å; Y108-Y111 HydrophobicContact CD1-CE2 4.11Å; Y108-Y111 HydrophobicContact CE1-CE2 4.34Å
109H47.5Very low49.9Very low116 Ų116124.9 Ų124.954%0.53759%0.592SS.*THydrogen-bonded Turntrans-77.16.5170.3-78.2-67.7000114.4S106S106-H109 PolarHBondContact O-CD2 3.31Å; S106-H109 PolarHBondContact O-N 3.02Å; S106-H109 PolarHBondContact OG-CD2 3.32Å; S106-H109 VanDerWaalsContact OG-CD2 3.27Å; S106-H109 PolarHBondContact OG-NE2 2.61Å
110G46.2Very low51.1Low47 Ų47125.2 Ų125.249%0.48559%0.585SS.*THydrogen-bonded Turntrans-84.9-4.3-175.100000116.5Y108Y108-G110 PolarHBondContact O-N 2.95Å
111Y49.9Very low52Low174 Ų174122 Ų12268%0.68258%0.578SS**THydrogen-bonded Turntrans-104.4-12.2-174.4-62.7-70.3000114.4Y108Y108-Y111 HydrophobicContact CD1-CD2 4.42Å; Y108-Y111 HydrophobicContact CD1-CE2 4.11Å; Y108-Y111 HydrophobicContact CE1-CE2 4.34Å
112Y45.9Very low52.5Low184 Ų184122.6 Ų122.672%0.72258%0.576SS**THydrogen-bonded Turntrans-107.6-18.3-179.1-69.7-86.3000114.2D114 L115Y112-D114 PolarHBondContact O-N 3.34Å; Y112-L115 HydrophobicContact CD1-CD1 3.25Å; Y112-L115 HydrophobicContact CE1-CD1 3.84Å; Y112-L115 HydrophobicContact CG-CD1 4.17Å; Y112-L115 WeakPolarHBondContact O-CB 3.3Å; Y112-L115 PolarHBondContact O-N 3Å
113D54.7Low53Low135 Ų135123.4 Ų123.472%0.72257%0.574SS**THydrogen-bonded Turntrans-67.4-24.8172.1-90-3.9000112L115D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.38Å
114D55.7Low53.7Low73 Ų73121.3 Ų121.339%0.3957%0.571SS.*THydrogen-bonded Turntrans-81.6-11.6180-57.50.4000112.2Y112 D116 K117 Y118Y112-D114 PolarHBondContact O-N 3.34Å; D114-D116 PolarHBondContact O-N 3.4Å; D114-K117 CarbonylContact O-C 3.49Å; D114-K117 WeakPolarHBondContact O-CA 3.14Å; D114-K117 VanDerWaalsContact O-CB 3.28Å; D114-K117 WeakPolarHBondContact O-CB 3.47Å; D114-K117 PolarHBondContact O-N 2.84Å; D114-Y118 HydrophobicContact CB-CD2 3.96Å; D114-Y118 HydrophobicContact CB-CE2 3.72Å; D114-Y118 WeakPolarHBondContact O-CD2 3.28Å; D114-Y118 PolarHBondContact O-N 3.19Å
115L51.4Low54Low78 Ų78119.4 Ų119.441%0.40856%0.56SS.*Hα-helixtrans-60.7-36.2-178.6-102.8149000111.4Y112 D113 K117 Y118 D119Y112-L115 HydrophobicContact CD1-CD1 3.25Å; Y112-L115 HydrophobicContact CE1-CD1 3.84Å; Y112-L115 HydrophobicContact CG-CD1 4.17Å; Y112-L115 WeakPolarHBondContact O-CB 3.3Å; Y112-L115 PolarHBondContact O-N 3Å; D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.38Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-Y118 PolarHBondContact O-N 3.47Å; L115-D119 WeakPolarHBondContact O-CB 3.44Å; L115-D119 PolarHBondContact O-N 3.02Å
116D60.6Low54.6Low132 Ų132117.8 Ų117.871%0.70656%0.56SS**Hα-helixtrans-63.5-29.9172.6-73.7-12.4000112.2D114 S120D114-D116 PolarHBondContact O-N 3.4Å; D116-S120 PolarHBondContact O-N 3.41Å
117K58.4Low54.7Low125 Ų125121.9 Ų121.954%0.54358%0.577SS.*Hα-helixtrans-78.4-41.7176.4-166.9-176177.4-650111.8D114 L115 D119 S120 E121D114-K117 CarbonylContact O-C 3.49Å; D114-K117 WeakPolarHBondContact O-CA 3.14Å; D114-K117 VanDerWaalsContact O-CB 3.28Å; D114-K117 WeakPolarHBondContact O-CB 3.47Å; D114-K117 PolarHBondContact O-N 2.84Å; L115-K117 PolarHBondContact O-N 3.49Å; K117-D119 PolarHBondContact O-N 2.82Å; K117-S120 PolarHBondContact O-N 3.41Å; K117-S120 PolarHBondContact O-OG 3.17Å; K117-E121 IonicContact NZ-OE1 3.44Å; K117-E121 PolarHBondContact NZ-OE1 3.01Å; K117-E121 PolarHBondContact O-N 3.08Å
118Y52.8Low55Low137 Ų137112.5 Ų112.554%0.53755%0.55SS..Hα-helixtrans-64.5-34.2171.6-72.9-72.1000110.8D114 L115 S120 E121 L122D114-Y118 HydrophobicContact CB-CD2 3.96Å; D114-Y118 HydrophobicContact CB-CE2 3.72Å; D114-Y118 WeakPolarHBondContact O-CD2 3.28Å; D114-Y118 PolarHBondContact O-N 3.19Å; L115-Y118 PolarHBondContact O-N 3.47Å; Y118-S120 VanDerWaalsContact C-N 3.33Å; Y118-S120 PolarHBondContact O-N 2.68Å; Y118-E121 PolarHBondContact O-N 2.88Å; Y118-L122 WeakPolarHBondContact O-CB 3.42Å; Y118-L122 WeakPolarHBondContact O-CG 3.22Å; Y118-L122 PolarHBondContact O-N 2.98Å
119D60.9Low55.1Low50 Ų50107.2 Ų107.227%0.26755%0.548SS..Hα-helixtrans-65.1-34176.9-99.712.6000112.4L115 K117 R123L115-D119 WeakPolarHBondContact O-CB 3.44Å; L115-D119 PolarHBondContact O-N 3.02Å; K117-D119 PolarHBondContact O-N 2.82Å; D119-R123 WeakPolarHBondContact O-CA 3.31Å; D119-R123 WeakPolarHBondContact O-CB 2.86Å; D119-R123 VanDerWaalsContact O-CD 3.28Å; D119-R123 WeakPolarHBondContact O-CD 3.27Å; D119-R123 WeakPolarHBondContact O-CG 3.48Å; D119-R123 PolarHBondContact O-N 3.07Å; D119-R123 IonicContact OD2-CZ 3.95Å; D119-R123 IonicContact OD2-NE 3.69Å; D119-R123 PolarHBondContact OD2-NE 2.79Å; D119-R123 IonicContact OD2-NH2 3.35Å; D119-R123 PolarHBondContact OD2-NH2 3.42Å
120S59.4Low55.2Low67 Ų67108.6 Ų108.647%0.46956%0.555SS.*Hα-helixtrans-70.9-43.517765.20000111.7D116 K117 Y118 E124D116-S120 PolarHBondContact O-N 3.41Å; K117-S120 PolarHBondContact O-N 3.41Å; K117-S120 PolarHBondContact O-OG 3.17Å; Y118-S120 VanDerWaalsContact C-N 3.33Å; Y118-S120 PolarHBondContact O-N 2.68Å; S120-E124 WeakPolarHBondContact O-CB 3.26Å; S120-E124 PolarHBondContact O-N 3.13Å
121E61.4Low55.4Low105 Ų105117.3 Ų117.349%0.49157%0.573SS.*Hα-helixtrans-68.5-40.8178.1-67177.4-15500111.7K117 Y118 L125K117-E121 IonicContact NZ-OE1 3.44Å; K117-E121 PolarHBondContact NZ-OE1 3.01Å; K117-E121 PolarHBondContact O-N 3.08Å; Y118-E121 PolarHBondContact O-N 2.88Å; E121-L125 WeakPolarHBondContact O-CB 3.48Å; E121-L125 PolarHBondContact O-N 2.8Å
122L58.7Low55.5Low91 Ų91117.2 Ų117.248%0.47657%0.573SS.*Hα-helixtrans-73.6-38175.5-72.4171.9000112.1Y118 E124 L125 V126Y118-L122 WeakPolarHBondContact O-CB 3.42Å; Y118-L122 WeakPolarHBondContact O-CG 3.22Å; Y118-L122 PolarHBondContact O-N 2.98Å; L122-E124 VanDerWaalsContact C-N 3.32Å; L122-L125 PolarHBondContact O-N 3.09Å; L122-V126 WeakPolarHBondContact O-CB 3.13Å; L122-V126 WeakPolarHBondContact O-CG2 3.35Å; L122-V126 PolarHBondContact O-N 3.24Å
123R57Low55.6Low145 Ų145117.2 Ų117.255%0.54758%0.576SS.*Hα-helixtrans-62.8-42.8172.6-76.2168.7-152.4-134.612.1110D119 L125 V126 L127D119-R123 WeakPolarHBondContact O-CA 3.31Å; D119-R123 WeakPolarHBondContact O-CB 2.86Å; D119-R123 VanDerWaalsContact O-CD 3.28Å; D119-R123 WeakPolarHBondContact O-CD 3.27Å; D119-R123 WeakPolarHBondContact O-CG 3.48Å; D119-R123 PolarHBondContact O-N 3.07Å; D119-R123 IonicContact OD2-CZ 3.95Å; D119-R123 IonicContact OD2-NE 3.69Å; D119-R123 PolarHBondContact OD2-NE 2.79Å; D119-R123 IonicContact OD2-NH2 3.35Å; D119-R123 PolarHBondContact OD2-NH2 3.42Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-V126 PolarHBondContact O-N 3.5Å; R123-L127 HydrophobicContact CB-CD1 4.15Å; R123-L127 WeakPolarHBondContact O-CB 3.29Å; R123-L127 VanDerWaalsContact O-CD1 3.28Å; R123-L127 WeakPolarHBondContact O-CD1 3.36Å; R123-L127 WeakPolarHBondContact O-CG 2.98Å; R123-L127 PolarHBondContact O-N 3.49Å
124E59.7Low55.5Low140 Ų140113.3 Ų113.365%0.65456%0.558SS**Hα-helixtrans-64.1-40176.1-167.9175.6-168.800111.3S120 L122 L127 S128S120-E124 WeakPolarHBondContact O-CB 3.26Å; S120-E124 PolarHBondContact O-N 3.13Å; L122-E124 VanDerWaalsContact C-N 3.32Å; E124-L127 PolarHBondContact O-N 3.48Å; E124-S128 WeakPolarHBondContact O-CB 3.32Å; E124-S128 PolarHBondContact O-N 3.06Å; E124-S128 PolarHBondContact O-OG 2.69Å
125L53.9Low55.2Low72 Ų72121 Ų12138%0.37758%0.582SS.*Hα-helixtrans-65.5-42.5176.3-167.169.3000112.5E121 L122 R123 S128 Y132E121-L125 WeakPolarHBondContact O-CB 3.48Å; E121-L125 PolarHBondContact O-N 2.8Å; L122-L125 PolarHBondContact O-N 3.09Å; R123-L125 VanDerWaalsContact C-N 3.34Å; L125-S128 PolarHBondContact O-OG 3.21Å; L125-Y132 HydrophobicContact CD1-CD2 4.31Å; L125-Y132 HydrophobicContact CD2-CD2 4.28Å
126V56.8Low55Low119 Ų119126.5 Ų126.572%0.72160%0.599SS**Hα-helixtrans-70.7-38.8178173.30000111.1L122 R123L122-V126 WeakPolarHBondContact O-CB 3.13Å; L122-V126 WeakPolarHBondContact O-CG2 3.35Å; L122-V126 PolarHBondContact O-N 3.24Å; R123-V126 PolarHBondContact O-N 3.5Å
127L55.2Low54.2Low145 Ų145130.6 Ų130.676%0.75961%0.606SS**Hα-helixtrans-79-34.1-178.7-73.2160.8000113R123 E124 G129R123-L127 HydrophobicContact CB-CD1 4.15Å; R123-L127 WeakPolarHBondContact O-CB 3.29Å; R123-L127 VanDerWaalsContact O-CD1 3.28Å; R123-L127 WeakPolarHBondContact O-CD1 3.36Å; R123-L127 WeakPolarHBondContact O-CG 2.98Å; R123-L127 PolarHBondContact O-N 3.49Å; E124-L127 PolarHBondContact O-N 3.48Å; L127-G129 PolarHBondContact O-N 3.17Å
128S59Low53.6Low53 Ų53134.2 Ų134.237%0.37163%0.625SS.*SBendtrans-71.3-10.7-178.360.50000112.9E124 L125 H130E124-S128 WeakPolarHBondContact O-CB 3.32Å; E124-S128 PolarHBondContact O-N 3.06Å; E124-S128 PolarHBondContact O-OG 2.69Å; L125-S128 PolarHBondContact O-OG 3.21Å; S128-H130 PolarHBondContact O-N 2.91Å
129G52.5Low53Low63 Ų63129.9 Ų129.965%0.64962%0.622SS**  trans605.2177.500000113.6L127 R131L127-G129 PolarHBondContact O-N 3.17Å; G129-R131 PolarHBondContact O-N 2.97Å
130H48.7Very low52.2Low145 Ų145137.3 Ų137.367%0.67166%0.655SS**  trans-82.5101.2177.3-75.8-27.6000106.9S128 Y132S128-H130 PolarHBondContact O-N 2.91Å; H130-Y132 PolarHBondContact O-N 3.01Å
131R50.7Low51.2Low230 Ų230136.4 Ų136.487%0.86866%0.656SS**  trans-34.7112.4161.2-70.8-177.3-91.8-147.2-3.4107.4G129 K133G129-R131 PolarHBondContact O-N 2.97Å; R131-K133 PolarHBondContact O-N 2.87Å
132Y51.3Low50.2Low172 Ų172142.1 Ų142.168%0.67568%0.675SS**  trans-48.1104.3175.3174.7-97.4000107.6L125 H130 P134L125-Y132 HydrophobicContact CD1-CD2 4.31Å; L125-Y132 HydrophobicContact CD2-CD2 4.28Å; H130-Y132 PolarHBondContact O-N 3.01Å; Y132-P134 HydrophobicContact CE1-CB 3.89Å; Y132-P134 HydrophobicContact CE1-CG 4.28Å; Y132-P134 VanDerWaalsContact O-CD 3.26Å; Y132-P134 WeakPolarHBondContact O-CD 3.16Å
133K47.8Very low49.3Very low184 Ų184140.9 Ų140.980%0.868%0.684SS**  trans-91104.9168.6-85.5-171.4173.1-172.30104.4R131 R135R131-K133 PolarHBondContact O-N 2.87Å; K133-R135 PolarHBondContact O-N 3.38Å
134P54.3Low48.9Very low53 Ų53141.8 Ų141.834%0.34470%0.699SS.*  trans-52.1123.317018.1-26.5000107.1Y132 Y136Y132-P134 HydrophobicContact CE1-CB 3.89Å; Y132-P134 HydrophobicContact CE1-CG 4.28Å; Y132-P134 VanDerWaalsContact O-CD 3.26Å; Y132-P134 WeakPolarHBondContact O-CD 3.16Å; P134-Y136 HydrophobicContact CB-CE2 4.39Å; P134-Y136 HydrophobicContact CG-CE2 3.8Å; P134-Y136 VanDerWaalsContact O-CD2 3.27Å; P134-Y136 WeakPolarHBondContact O-CD2 3.39Å; P134-Y136 PolarHBondContact O-N 3Å
135R49Very low48.2Very low235 Ų235142.6 Ų142.689%0.88771%0.713SS**  trans-6992.5168.5-71.5-175.2-177.2-173.31.3105.1K133 Y137K133-R135 PolarHBondContact O-N 3.38Å; R135-Y137 PolarHBondContact O-N 3.17Å
136Y46.7Very low47.8Very low193 Ų193140.4 Ų140.476%0.75771%0.707SS**  trans-54.9114.1162.6-66-87.3000105.1P134 E138P134-Y136 HydrophobicContact CB-CE2 4.39Å; P134-Y136 HydrophobicContact CG-CE2 3.8Å; P134-Y136 VanDerWaalsContact O-CD2 3.27Å; P134-Y136 WeakPolarHBondContact O-CD2 3.39Å; P134-Y136 PolarHBondContact O-N 3Å; Y136-E138 PolarHBondContact O-N 2.8Å
137Y44.6Very low47.2Very low219 Ų219142.3 Ų142.386%0.85971%0.708SS**  trans-55.1112.8168.4-93.2-102.2000105.7R135 G139R135-Y137 PolarHBondContact O-N 3.17Å; Y137-G139 PolarHBondContact O-N 2.94Å
138E46Very low46.8Very low201 Ų201144.8 Ų144.894%0.93972%0.716SS**  trans-68.238.4160.2-67.7176.9172.500109.8Y136Y136-E138 PolarHBondContact O-N 2.8Å
139G40.4Very low46.3Very low46 Ų46145.9 Ų145.947%0.47472%0.721SS.*SBendtrans-84.7111.8165.600000105.8Y137 G141Y137-G139 PolarHBondContact O-N 2.94Å; G139-G141 WeakPolarHBondContact O-CA 3.09Å; G139-G141 PolarHBondContact O-N 3.28Å
140E42.1Very low46Very low206 Ų206152 Ų15296%0.96373%0.726SS**SBendtrans-30.494.4169.7-60.4-179.7168.900111.5
141G38.8Very low46.2Very low48 Ų48151.6 Ų151.650%0.49573%0.733SS.*  trans-171.472-161.200000109.7G139 G143G139-G141 WeakPolarHBondContact O-CA 3.09Å; G139-G141 PolarHBondContact O-N 3.28Å; G141-G143 PolarHBondContact O-N 2.98Å
142Y41.6Very low46.3Very low224 Ų224148.5 Ų148.588%0.87873%0.726SS**  trans37.363.6154.7-44.1-86.7000113.3L144Y142-L144 PolarHBondContact O-N 2.91Å
143G39.7Very low46.6Very low65 Ų65149.4 Ų149.467%0.6773%0.733SS**  trans-51.8117.2162.700000106.4G141 V145G141-G143 PolarHBondContact O-N 2.98Å; G143-V145 WeakPolarHBondContact O-CG2 3.2Å; G143-V145 PolarHBondContact O-N 3.23Å
144L48.6Very low47.1Very low165 Ų165143.2 Ų143.286%0.86471%0.712SS**  trans-60.992.5177.9-71.6173.6000107.2Y142 G146Y142-L144 PolarHBondContact O-N 2.91Å; L144-G146 PolarHBondContact O-N 3.27Å
145V45.3Very low47.5Very low157 Ų157150.5 Ų150.595%0.95274%0.738SS**THydrogen-bonded Turntrans-61.790.2168.5-177.30000105.5G143G143-V145 WeakPolarHBondContact O-CG2 3.2Å; G143-V145 PolarHBondContact O-N 3.23Å
146G43.8Very low48.4Very low25 Ų25143.5 Ų143.526%0.25872%0.719SS.*THydrogen-bonded Turntrans-168.7-25.2-17300000114L144 E148 T149L144-G146 PolarHBondContact O-N 3.27Å; G146-E148 VanDerWaalsContact C-N 3.27Å; G146-E148 PolarHBondContact O-N 3.4Å; G146-T149 PolarHBondContact O-N 3.33Å; G146-T149 PolarHBondContact O-OG1 3.12Å
147E44.8Very low49.4Very low159 Ų159139.1 Ų139.174%0.74371%0.713SS**G310 helixtrans-64.6-28.2-177.1-80-158.7170.500114.4T149 Y150E147-T149 PolarHBondContact O-N 2.62Å; E147-Y150 HydrophobicContact CB-CD2 4.36Å; E147-Y150 HydrophobicContact CB-CE2 4.39Å; E147-Y150 HydrophobicContact CG-CD2 4.25Å; E147-Y150 HydrophobicContact CG-CE2 3.89Å; E147-Y150 WeakPolarHBondContact O-CD2 3.34Å
148E48Very low51Low197 Ų197133.1 Ų133.192%0.92170%0.704SS**G310 helixtrans-73-9.4177.2-68.2-175.6171.500113.7G146G146-E148 VanDerWaalsContact C-N 3.27Å; G146-E148 PolarHBondContact O-N 3.4Å
149T48.1Very low52.6Low76 Ų76125.9 Ų125.947%0.46667%0.669SS.*G310 helixtrans-1023.9-18050.60000115.5G146 E147 V151 K152G146-T149 PolarHBondContact O-N 3.33Å; G146-T149 PolarHBondContact O-OG1 3.12Å; E147-T149 PolarHBondContact O-N 2.62Å; T149-V151 PolarHBondContact O-N 2.76Å; T149-K152 WeakPolarHBondContact O-CB 3.4Å; T149-K152 PolarHBondContact O-N 3.38Å
150Y46.1Very low54.6Low192 Ų192127.8 Ų127.875%0.75366%0.663SS**THydrogen-bonded Turntrans-68.53.8177.3-75.4-76.6000115.1E147E147-Y150 HydrophobicContact CB-CD2 4.36Å; E147-Y150 HydrophobicContact CB-CE2 4.39Å; E147-Y150 HydrophobicContact CG-CD2 4.25Å; E147-Y150 HydrophobicContact CG-CE2 3.89Å; E147-Y150 WeakPolarHBondContact O-CD2 3.34Å
151V52.7Low56.5Low137 Ų137120.6 Ų120.683%0.8363%0.631SS**THydrogen-bonded Turntrans-96.43.6166.8-164.50000111.9T149 K153T149-V151 PolarHBondContact O-N 2.76Å; V151-K153 PolarHBondContact O-N 3.41Å
152K52.9Low58.5Low165 Ų165126.3 Ų126.372%0.71765%0.645SS**SBendtrans-73.4103.6166.6-81.1-178.9176.3173.90107.9T149T149-K152 WeakPolarHBondContact O-CB 3.4Å; T149-K152 PolarHBondContact O-N 3.38Å
153K56.5Low60.4Low190 Ų190124 Ų12483%0.82664%0.635SS**  trans-38.9135.2159.8-70.6-179.3178.8178.90108.5V151 K155V151-K153 PolarHBondContact O-N 3.41Å; K153-K155 PolarHBondContact O-N 3.25Å
154P59.3Low62.2Low55 Ų55123 Ų12336%0.35763%0.626SS.*  trans-51.3135.5-179.9-7.99000109.7D156 Y160P154-D156 PolarHBondContact O-N 3.49Å; P154-D156 VanDerWaalsContact O-N 3.08Å; P154-Y160 HydrophobicContact CB-CD2 3.34Å; P154-Y160 HydrophobicContact CB-CE2 3.55Å; P154-Y160 HydrophobicContact CB-CG 3.98Å; P154-Y160 HydrophobicContact CG-CD2 4.02Å; P154-Y160 HydrophobicContact CG-CG 4.16Å
155K62.4Low63.8Low205 Ų205119.7 Ų119.789%0.89161%0.609SS**SBendtrans-50.6-36.2-179.2-86175.1174.5176.10111.8K153K153-K155 PolarHBondContact O-N 3.25Å
156D67.5Low65.6Low89 Ų89118.4 Ų118.448%0.47659%0.588SS.*  trans-129.7100.1176.9-63.7-49.5000109.5P154 S158 K159 Y160P154-D156 PolarHBondContact O-N 3.49Å; P154-D156 VanDerWaalsContact O-N 3.08Å; D156-S158 PolarHBondContact O-N 2.87Å; D156-S158 VanDerWaalsContact O-N 3.12Å; D156-K159 HydrophobicContact CB-CB 4.2Å; D156-K159 HydrophobicContact CB-CG 3.62Å; D156-K159 WeakPolarHBondContact O-CB 3.34Å; D156-K159 PolarHBondContact O-N 3.02Å; D156-Y160 WeakPolarHBondContact O-CD2 2.94Å
157P69Low67.4Low100 Ų100120.9 Ų120.965%0.64959%0.594SS**G310 helixtrans-62.7-19-179.723.8-32.6000113K159 Y160P157-K159 VanDerWaalsContact C-N 3.3Å; P157-Y160 PolarHBondContact O-N 2.67Å
158S77.7Confident69Low94 Ų94116 Ų11666%0.65758%0.577SS**G310 helixtrans-72.3-22.4174.4590000113.8D156 Y160D156-S158 PolarHBondContact O-N 2.87Å; D156-S158 VanDerWaalsContact O-N 3.12Å; S158-Y160 PolarHBondContact O-N 3.06Å
159K80.4Confident70.2Confident49 Ų49109.7 Ų109.721%0.21355%0.549CS..G310 helixtrans-81.4-3.7176.5-63.4-68179.7173.90112.7D156 P157 Y166 I167 D169D156-K159 HydrophobicContact CB-CB 4.2Å; D156-K159 HydrophobicContact CB-CG 3.62Å; D156-K159 WeakPolarHBondContact O-CB 3.34Å; D156-K159 PolarHBondContact O-N 3.02Å; P157-K159 VanDerWaalsContact C-N 3.3Å; K159-Y166 HydrophobicContact CB-CD2 4.1Å; K159-Y166 HydrophobicContact CB-CE2 3.86Å; K159-Y166 HydrophobicContact CD-CE2 4.23Å; K159-Y166 HydrophobicContact CG-CE2 4.4Å; K159-Y166 CarbonylContact O-C 3.48Å; K159-Y166 VanDerWaalsContact O-CA 3.29Å; K159-Y166 WeakPolarHBondContact O-CA 3.2Å; K159-Y166 VanDerWaalsContact O-CD2 3.29Å; K159-Y166 WeakPolarHBondContact O-CD2 3.49Å; K159-I167 PolarHBondContact O-N 3.21Å; K159-D169 IonicContact NZ-OD1 3.88Å; K159-D169 PolarHBondContact NZ-OD1 2.92Å; K159-D169 IonicContact NZ-OD2 3.5Å; K159-D169 PolarHBondContact NZ-OD2 2.88Å
160Y81.9Confident71Confident86 Ų86115.9 Ų115.934%0.33757%0.565SS.*BIsolated β-bridgetrans-128.7144.8-177.4-66-94000109.6P154 D156 P157 S158 G164 N165 Y166P154-Y160 HydrophobicContact CB-CD2 3.34Å; P154-Y160 HydrophobicContact CB-CE2 3.55Å; P154-Y160 HydrophobicContact CB-CG 3.98Å; P154-Y160 HydrophobicContact CG-CD2 4.02Å; P154-Y160 HydrophobicContact CG-CG 4.16Å; D156-Y160 WeakPolarHBondContact O-CD2 2.94Å; P157-Y160 PolarHBondContact O-N 2.67Å; S158-Y160 PolarHBondContact O-N 3.06Å; Y160-G164 VanDerWaalsContact CD1-O 3.29Å; Y160-G164 WeakPolarHBondContact CD1-O 3.32Å; Y160-N165 CarbonylContact C-O 3.51Å; Y160-N165 WeakPolarHBondContact CA-O 3.28Å; Y160-Y166 HydrophobicContact CE1-CD2 4.29Å; Y160-Y166 HydrophobicContact CE2-CD2 4.32Å
161D80.7Confident71.8Confident54 Ų54115.6 Ų115.629%0.28957%0.571SS.*  trans-73.2174.4169.472.59.3000110.6Y163 G164 N165 I167D161-Y163 PolarHBondContact O-N 2.82Å; D161-Y163 VanDerWaalsContact OD1-C 3.31Å; D161-Y163 VanDerWaalsContact OD1-CA 3.3Å; D161-Y163 WeakPolarHBondContact OD1-CA 2.97Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.2Å; D161-Y163 PolarHBondContact OD1-N 3.48Å; D161-G164 PolarHBondContact O-N 2.79Å; D161-G164 PolarHBondContact OD1-N 3.23Å; D161-N165 PolarHBondContact N-O 3.12Å; D161-N165 PolarHBondContact OD1-N 3.41Å; D161-N165 PolarHBondContact OD1-ND2 2.72Å; D161-N165 WeakPolarHBondContact OD2-CB 3.28Å; D161-N165 PolarHBondContact OD2-ND2 2.8Å; D161-I167 HydrophobicContact CB-CD1 4.23Å; D161-I167 HydrophobicContact CB-CG1 4.22Å
162Q81.9Confident72.1Confident169 Ų169113.1 Ų113.179%0.7956%0.556SS**THydrogen-bonded Turntrans-59.1-15.317766.2-173.4-38.900114.3
163Y80.3Confident72.5Confident174 Ų174110.6 Ų110.668%0.68256%0.557SS**THydrogen-bonded Turntrans-98.4-1.5179.3-52.8-69.9000112.3D161D161-Y163 PolarHBondContact O-N 2.82Å; D161-Y163 VanDerWaalsContact OD1-C 3.31Å; D161-Y163 VanDerWaalsContact OD1-CA 3.3Å; D161-Y163 WeakPolarHBondContact OD1-CA 2.97Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.2Å; D161-Y163 PolarHBondContact OD1-N 3.48Å
164G78.4Confident72.8Confident45 Ų45109.4 Ų109.446%0.46455%0.554SS.*SBendtrans81.916.5-177.600000114.2Y160 D161Y160-G164 VanDerWaalsContact CD1-O 3.29Å; Y160-G164 WeakPolarHBondContact CD1-O 3.32Å; D161-G164 PolarHBondContact O-N 2.79Å; D161-G164 PolarHBondContact OD1-N 3.23Å
165N81.9Confident73.3Confident95 Ų95112 Ų11251%0.50857%0.57SS.*  trans-86.2136.6171.9-52.1-55.8000110.3Y160 D161 I167Y160-N165 CarbonylContact C-O 3.51Å; Y160-N165 WeakPolarHBondContact CA-O 3.28Å; D161-N165 PolarHBondContact N-O 3.12Å; D161-N165 PolarHBondContact OD1-N 3.41Å; D161-N165 PolarHBondContact OD1-ND2 2.72Å; D161-N165 WeakPolarHBondContact OD2-CB 3.28Å; D161-N165 PolarHBondContact OD2-ND2 2.8Å; N165-I167 PolarHBondContact O-N 2.82Å
166Y83.8Confident73.6Confident130 Ų130107.4 Ų107.451%0.5157%0.565SS.*BIsolated β-bridgetrans-64.9128.5178.7-177.4-102.2000111.3K159 Y160 P168K159-Y166 HydrophobicContact CB-CD2 4.1Å; K159-Y166 HydrophobicContact CB-CE2 3.86Å; K159-Y166 HydrophobicContact CD-CE2 4.23Å; K159-Y166 HydrophobicContact CG-CE2 4.4Å; K159-Y166 CarbonylContact O-C 3.48Å; K159-Y166 VanDerWaalsContact O-CA 3.29Å; K159-Y166 WeakPolarHBondContact O-CA 3.2Å; K159-Y166 VanDerWaalsContact O-CD2 3.29Å; K159-Y166 WeakPolarHBondContact O-CD2 3.49Å; Y160-Y166 HydrophobicContact CE1-CD2 4.29Å; Y160-Y166 HydrophobicContact CE2-CD2 4.32Å; Y166-P168 HydrophobicContact CE1-CB 4.48Å; Y166-P168 WeakPolarHBondContact O-CD 3.1Å
167I82.2Confident73.9Confident77 Ų77108.6 Ų108.640%0.39558%0.577SS.*  trans-88.6111.7172-58.2171.6000106.9K159 D161 N165 D169K159-I167 PolarHBondContact O-N 3.21Å; D161-I167 HydrophobicContact CB-CD1 4.23Å; D161-I167 HydrophobicContact CB-CG1 4.22Å; N165-I167 PolarHBondContact O-N 2.82Å; I167-D169 PolarHBondContact O-N 3.28Å
168P77.6Confident74.1Confident58 Ų58109.2 Ų109.238%0.37758%0.581SS.*  trans-65.2127177.7-17.831.2000111.1Y166 Y170Y166-P168 HydrophobicContact CE1-CB 4.48Å; Y166-P168 WeakPolarHBondContact O-CD 3.1Å; P168-Y170 HydrophobicContact CB-CE1 4.4Å; P168-Y170 HydrophobicContact CB-CE2 4.09Å; P168-Y170 HydrophobicContact CG-CE2 4.45Å; P168-Y170 VanDerWaalsContact O-CD2 3.26Å; P168-Y170 WeakPolarHBondContact O-CD2 3.45Å; P168-Y170 PolarHBondContact O-N 3.42Å; P168-Y170 VanDerWaalsContact O-N 3.11Å
169D72.2Confident74.2Confident63 Ų63110 Ų11034%0.33758%0.584SS.*  trans-70.6102.5165.3-85.634.1000109.4K159 I167 Q171K159-D169 IonicContact NZ-OD1 3.88Å; K159-D169 PolarHBondContact NZ-OD1 2.92Å; K159-D169 IonicContact NZ-OD2 3.5Å; K159-D169 PolarHBondContact NZ-OD2 2.88Å; I167-D169 PolarHBondContact O-N 3.28Å; D169-Q171 PolarHBondContact O-N 2.77Å
170Y66.7Low74Confident207 Ų207113.5 Ų113.581%0.81261%0.612SS**THydrogen-bonded Turntrans-76.7-3173.1-64.2-77.6000113.4P168P168-Y170 HydrophobicContact CB-CE1 4.4Å; P168-Y170 HydrophobicContact CB-CE2 4.09Å; P168-Y170 HydrophobicContact CG-CE2 4.45Å; P168-Y170 VanDerWaalsContact O-CD2 3.26Å; P168-Y170 WeakPolarHBondContact O-CD2 3.45Å; P168-Y170 PolarHBondContact O-N 3.42Å; P168-Y170 VanDerWaalsContact O-N 3.11Å
171Q63.1Low73.2Confident185 Ų185117.6 Ų117.686%0.86463%0.634SS**THydrogen-bonded Turntrans-84.3-13.5-180-80.6163.4-300113.6D169 P173D169-Q171 PolarHBondContact O-N 2.77Å; Q171-P173 WeakPolarHBondContact O-CD 3.28Å
172T59Low72.5Confident86 Ų86120.7 Ų120.753%0.52866%0.657SS.*SBendtrans-90.4119.4176.5-36.30000109.1Q174T172-Q174 PolarHBondContact O-N 2.8Å; T172-Q174 VanDerWaalsContact O-N 3.13Å
173P59.4Low71.5Confident112 Ų112118.2 Ų118.273%0.72765%0.653SS**PPolyproline II helixtrans-52.5124167.4-20.330.6000108Q171Q171-P173 WeakPolarHBondContact O-CD 3.28Å
174Q63.4Low70.4Confident164 Ų164115.8 Ų115.877%0.76666%0.659SS**PPolyproline II helixtrans-56.4130.8174.6-72.5-69.4-48.600107.8T172 S176T172-Q174 PolarHBondContact O-N 2.8Å; T172-Q174 VanDerWaalsContact O-N 3.13Å; Q174-S176 PolarHBondContact O-N 3.4Å
175P69.1Low69.4Low109 Ų109120.6 Ų120.671%0.70867%0.672SS**PPolyproline II helixtrans-56.6134.1175.822.8-31000108.6
176S70.3Confident67.5Low110 Ų110121.1 Ų121.177%0.76968%0.681SS**PPolyproline II helixtrans-49.1135.1174.1-56.90000109.1Q174Q174-S176 PolarHBondContact O-N 3.4Å
177P73.2Confident65.6Low113 Ų113120.5 Ų120.573%0.73470%0.696SS**PPolyproline II helixtrans-54.6142.5178.522.5-32.2000109.5
178P73.7Confident63.7Low113 Ų113124.2 Ų124.273%0.73472%0.716SS**PPolyproline II helixtrans-56.3147.8178.423.3-32.7000110.2
179P78.3Confident61.9Low111 Ų111126.7 Ų126.772%0.72174%0.735SS**PPolyproline II helixtrans-56.2144.4178.323.2-32.5000110.1H181P179-H181 PolarHBondContact O-N 3.47Å
180P76.6Confident60.4Low123 Ų123130.3 Ų130.380%0.79976%0.755SS**PPolyproline II helixtrans-56.7130.9175.923.5-31.7000109.1
181H65.4Low59Low171 Ų171129 Ų12979%0.79276%0.756SS**PPolyproline II helixtrans-54.6138.7171.5-78.6-82.4000109.2P179 T183P179-H181 PolarHBondContact O-N 3.47Å; H181-T183 PolarHBondContact O-N 2.98Å
182P66.7Low57.4Low119 Ų119128.3 Ų128.377%0.77375%0.752SS**  trans-54.7115.6175.421-30.5000108.5
183T60.3Low56.3Low117 Ų117130.4 Ų130.472%0.71877%0.768SS**  trans-62.7127.4175.241.40000107.9H181 I185H181-T183 PolarHBondContact O-N 2.98Å; T183-I185 PolarHBondContact O-N 3.43Å
184P58Low55.4Low123 Ų123129.7 Ų129.780%0.79977%0.766SS**  trans-57.4113.5176.121.4-30.6000108.5
185I56.4Low53.9Low146 Ų146125.2 Ų125.275%0.74976%0.763SS**  trans-64.7127.6171-59.4174000105.5T183 S187T183-I185 PolarHBondContact O-N 3.43Å; I185-S187 PolarHBondContact O-N 3.32Å
186P42.9Very low52.2Low106 Ų106127.6 Ų127.669%0.68877%0.77SS**  trans-57.8112.9175.622.6-30.9000108.2N188P186-N188 VanDerWaalsContact C-N 3.31Å; P186-N188 PolarHBondContact O-N 3.28Å
187S43.6Very low50.5Low118 Ų118128.3 Ų128.383%0.82577%0.769SS**  trans-59.198170.6-68.50000108I185 S189I185-S187 PolarHBondContact O-N 3.32Å; S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 2.95Å
188N42.5Very low48.5Very low154 Ų154126.6 Ų126.682%0.82477%0.772SS**  trans-66.599.8160.2-85.4-19.7000106.4P186 N190P186-N188 VanDerWaalsContact C-N 3.31Å; P186-N188 PolarHBondContact O-N 3.28Å; N188-N190 PolarHBondContact O-N 2.74Å
189S40Very low46.6Very low111 Ų111129.7 Ų129.778%0.77678%0.777SS**  trans-64.787.216355.30000108.2S187S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 2.95Å
190N39.3Very low44.3Very low139 Ų139131.7 Ų131.774%0.74378%0.781SS**  trans-149.997.6157.1-104.2-1.5000107.1N188N188-N190 PolarHBondContact O-N 2.74Å
191E37.1Very low42.4Very low178 Ų178130.5 Ų130.583%0.83277%0.772SS**  trans35.1101.1137-58.1-178.9150.900116.7
192Q30.7Very low40.8Very low171 Ų171128.4 Ų128.480%0.79977%0.766SS**  -167.2123.9116.9-103.4-160.9-87.600110.8S194Q192-S194 PolarHBondContact O-N 2.69Å
193P35.8Very low39.3Very low131 Ų131130.5 Ų130.585%0.85177%0.771SS**  trans-8688.5167.133.2-26.8000108.1
194S40.4Very low38.2Very low97 Ų97133.3 Ų133.368%0.67878%0.776SS**  trans-97.6115.6172.664.70000110Q192Q192-S194 PolarHBondContact O-N 2.69Å
195G31.2Very low36.9Very low69 Ų69136.8 Ų136.871%0.71178%0.782SS**  trans51.896.8149.900000115.7
196N33Very low35.8Very low160 Ų160133.3 Ų133.386%0.85678%0.782SS**  44.5114.868.5-126.130.3000114.3
197V34.5Very low35.4Very low125 Ų125137.5 Ų137.576%0.75879%0.793SS**  trans76.493.2152.6-160.20000117.1
198G31.4Very low35.2Very low77 Ų77139.2 Ų139.279%0.79479%0.792SS**  trans-145.458.1158.800000109.6N200G198-N200 PolarHBondContact O-N 2.78Å; G198-N200 VanDerWaalsContact O-N 3.11Å
199E33.7Very low35.2Very low178 Ų178139 Ų13983%0.83279%0.791SS**  trans-62.1103.4158.9-100.1179.9140.800107.1
200N31.6Very low35.1Very low152 Ų152143.2 Ų143.281%0.81380%0.796SS**  trans-120.389.6158.6-164.79.4000107.2G198G198-N200 PolarHBondContact O-N 2.78Å; G198-N200 VanDerWaalsContact O-N 3.11Å
201V35.5Very low35.3Very low98 Ų98142.5 Ų142.559%0.59480%0.798SS**  trans-84.4139.7170.6-170.90000106.8
202N32.5Very low35.5Very low127 Ų127140.2 Ų140.268%0.67979%0.792SS**  trans90.8103.3178.5-53.8-46.1000115.3
203N35.8Very low36Very low164 Ų164141.4 Ų141.488%0.87780%0.798SS**  -149.5132.5110.3-91.4-19.8000109.4
204E35.4Very low36.4Very low175 Ų175140.7 Ų140.782%0.81879%0.791SS**  trans-61.8147.2-176.4-69161.2143.500112.8G206E204-G206 PolarHBondContact O-N 3.33Å
205E30.8Very low36.8Very low196 Ų196143.9 Ų143.992%0.91680%0.795SS**  trans492.4140.1-66.3174.5163.300115.9
206G33.7Very low37.6Very low74 Ų74149.6 Ų149.676%0.76380%0.804SS**  trans-110100.5159.800000109.3E204E204-G206 PolarHBondContact O-N 3.33Å
207E34.9Very low38.7Very low194 Ų194149.1 Ų149.191%0.90780%0.801SS**  trans-52.2129.3161.1-57.8174.6145.900109.6
208D40.4Very low39.4Very low153 Ų153151 Ų15182%0.81880%0.802SS**  -178.6143.2111.6-138.5-19.3000111.6K210D208-K210 PolarHBondContact O-N 3.32Å
209N41.4Very low40.8Very low151 Ų151156.3 Ų156.381%0.80780%0.799SS**  trans-77.6111.4-175.1-76.2-88.3000111.2
210K38.5Very low41.6Very low198 Ų198155.8 Ų155.886%0.86179%0.794SS**  trans-155.895.2154-129.4179.8-174-174.10111.8D208 D212D208-K210 PolarHBondContact O-N 3.32Å; K210-D212 PolarHBondContact O-N 3.45Å
211P43.2Very low43.2Very low124 Ų124154 Ų15481%0.80579%0.79SS**  trans-76.7106.915929.2-27000107.9
212D40.5Very low44.7Very low131 Ų131154.9 Ų154.970%0.70180%0.796SS**  trans-50.1132.3170.4-141-12.9000110.4K210 T214K210-D212 PolarHBondContact O-N 3.45Å; D212-T214 PolarHBondContact O-N 2.85Å; D212-T214 PolarHBondContact O-OG1 2.76Å
213E42.7Very low46.4Very low195 Ų195160.2 Ų160.291%0.91181%0.807SS**  trans-62.983.1173.3-71179162.700108.8E215E213-E215 PolarHBondContact O-N 2.84Å
214T42.9Very low47.8Very low117 Ų117162.8 Ų162.872%0.71881%0.806SS**  trans-95.796.8-175.415.80000110.3D212D212-T214 PolarHBondContact O-N 2.85Å; D212-T214 PolarHBondContact O-OG1 2.76Å
215E50.1Low49.5Very low163 Ų163159.5 Ų159.576%0.76280%0.798SS**  trans31.7121.5148.4-85.2177.5153.600118.9E213 N217E213-E215 PolarHBondContact O-N 2.84Å; E215-N217 VanDerWaalsContact C-N 3.35Å; E215-N217 PolarHBondContact O-N 2.9Å
216E47.3Very low51.9Low190 Ų190159.4 Ų159.489%0.88879%0.794SS**  trans-48.791162.1-64.1180157.300111.1E218E216-E218 PolarHBondContact O-N 2.95Å
217N56.9Low53.9Low149 Ų149165 Ų16580%0.79779%0.794SS**  trans-68.696.3170.2-78.6-55.1000108.9E215 Y219E215-N217 VanDerWaalsContact C-N 3.35Å; E215-N217 PolarHBondContact O-N 2.9Å; N217-Y219 PolarHBondContact O-N 3.3Å
218E48.5Very low55.9Low166 Ų166165.6 Ų165.678%0.77679%0.793SS**  trans-53.498.2167.4-71.7-176.7168.700109.7E216 K220E216-E218 PolarHBondContact O-N 2.95Å; E218-K220 PolarHBondContact O-N 3.28Å
219Y60.6Low57.9Low188 Ų188167.8 Ų167.874%0.73780%0.795SS**  trans-68.695.4-179.4-174.4-97.6000109.9N217 P221N217-Y219 PolarHBondContact O-N 3.3Å; Y219-P221 WeakPolarHBondContact O-CD 3.15Å
220K51.1Low59.4Low167 Ų167169.6 Ų169.673%0.72679%0.792SS**PPolyproline II helixtrans-69.3125.2171.8-68.5-178.9-176.5175.30108.9E218 T222E218-K220 PolarHBondContact O-N 3.28Å; K220-T222 PolarHBondContact O-N 3.35Å
221P65.2Low61.1Low113 Ų113169.1 Ų169.173%0.73479%0.79SS**PPolyproline II helixtrans-55.4128.6179.1-24.232.3000111.1Y219 R223Y219-P221 WeakPolarHBondContact O-CD 3.15Å; P221-R223 PolarHBondContact O-N 3.5Å
222T65.7Low62.4Low118 Ų118167.8 Ų167.872%0.72478%0.781SS**PPolyproline II helixtrans-55.4134.417437.50000110.1K220 Y224K220-T222 PolarHBondContact O-N 3.35Å; T222-Y224 PolarHBondContact O-N 2.79Å
223R68.3Low63.8Low238 Ų238165.3 Ų165.390%0.89877%0.774SS**PPolyproline II helixtrans-49.7133.9-175.3-69.9179.8178.4173.1-0.1111.1P221 V225P221-R223 PolarHBondContact O-N 3.5Å; R223-V225 PolarHBondContact O-N 3.32Å; R223-V225 VanDerWaalsContact O-N 3.12Å
224Y65.3Low65Low218 Ų218163.6 Ų163.686%0.85577%0.771SS**  trans-50.6114.5179.8-154.1-95.8000111.4T222 K226T222-Y224 PolarHBondContact O-N 2.79Å; Y224-K226 PolarHBondContact O-N 3.05Å; Y224-K226 VanDerWaalsContact O-N 3.12Å
225V72.4Confident66.1Low107 Ų107166.6 Ų166.665%0.64878%0.775SS**  trans-72.1107.9175.5179.70000107.9R223 Y227R223-V225 PolarHBondContact O-N 3.32Å; R223-V225 VanDerWaalsContact O-N 3.12Å; V225-Y227 WeakPolarHBondContact O-CD2 3.45Å; V225-Y227 PolarHBondContact O-N 2.94Å; V225-Y227 VanDerWaalsContact O-N 3.11Å
226K79.5Confident66.7Low193 Ų193170.1 Ų170.184%0.83978%0.781SS**  trans-70.9106.3178.2-165.8176.3-174175.10109.5Y224Y224-K226 PolarHBondContact O-N 3.05Å; Y224-K226 VanDerWaalsContact O-N 3.12Å
227Y76Confident67.5Low192 Ų192167.8 Ų167.875%0.75378%0.78SS**PPolyproline II helixtrans-64.9137.5173.4-62.3-84.7000111V225 K229V225-Y227 WeakPolarHBondContact O-CD2 3.45Å; V225-Y227 PolarHBondContact O-N 2.94Å; V225-Y227 VanDerWaalsContact O-N 3.11Å; Y227-K229 PolarHBondContact O-N 3.14Å
228K77.6Confident67.6Low207 Ų207165.7 Ų165.790%0.978%0.776SS**PPolyproline II helixtrans-66.9124169.7-70.5-178179.71760108.4Y230K228-Y230 PolarHBondContact O-N 2.87Å
229K81.2Confident67.9Low199 Ų199162.6 Ų162.687%0.86577%0.773SS**PPolyproline II helixtrans-59.6119.3177-169.7171.3-174.51740109.7Y227 K231Y227-K229 PolarHBondContact O-N 3.14Å; K229-K231 PolarHBondContact O-N 2.83Å
230Y73.3Confident67.2Low188 Ų188162.5 Ų162.574%0.73778%0.776SS**PPolyproline II helixtrans-59.8131.1175.8179.2-102.6000110.5K228 P232K228-Y230 PolarHBondContact O-N 2.87Å; Y230-P232 HydrophobicContact CE1-CB 4.11Å
231K74.2Confident67.1Low188 Ų188160.2 Ų160.282%0.81778%0.777SS**  trans-100.7112171.6-73.6-99.4-1761720107.4K229 S233K229-K231 PolarHBondContact O-N 2.83Å; K231-S233 PolarHBondContact O-N 2.9Å
232P71.2Confident65.9Low96 Ų96164.1 Ų164.162%0.62378%0.782SS**  trans-60.4130176.222.6-30.4000110.2Y230 N234Y230-P232 HydrophobicContact CE1-CB 4.11Å; P232-N234 PolarHBondContact O-N 3.05Å
233S69.6Low65.1Low79 Ų79163.5 Ų163.555%0.55278%0.783SS**  trans-75114.6177.4167.20000109.6K231 K235K231-S233 PolarHBondContact O-N 2.9Å; S233-K235 PolarHBondContact O-N 3.19Å; S233-K235 VanDerWaalsContact O-N 3.09Å; S233-K235 WeakPolarHBondContact OG-CG 3.46Å; S233-K235 PolarHBondContact OG-N 3.27Å
234N68.4Low63.7Low159 Ų159158.2 Ų158.285%0.8578%0.782SS**  trans-78.225.9173.1-79.4-9.7000113.1P232 R236P232-N234 PolarHBondContact O-N 3.05Å; N234-R236 VanDerWaalsContact C-N 3.33Å; N234-R236 PolarHBondContact O-N 2.86Å
235K65.7Low62.6Low180 Ų180157.4 Ų157.478%0.78378%0.783SS**  trans-67.294178-78.1-172.5179.6-178.30109.6S233 V237S233-K235 PolarHBondContact O-N 3.19Å; S233-K235 VanDerWaalsContact O-N 3.09Å; S233-K235 WeakPolarHBondContact OG-CG 3.46Å; S233-K235 PolarHBondContact OG-N 3.27Å; K235-V237 PolarHBondContact O-N 2.74Å
236R62.8Low61.1Low237 Ų237161.9 Ų161.989%0.89479%0.794SS**  trans-59.1105.7167.1-120.2173.878.1-164.26.8107.8N234 S238N234-R236 VanDerWaalsContact C-N 3.33Å; N234-R236 PolarHBondContact O-N 2.86Å; R236-S238 PolarHBondContact O-N 3.25Å
237V63.3Low59.1Low142 Ų142156.7 Ų156.786%0.86180%0.795SS**  trans-69.9109.3165-119.80000106.4K235 S239K235-V237 PolarHBondContact O-N 2.74Å; V237-S239 PolarHBondContact O-N 2.93Å
238S59.4Low57.6Low104 Ų104154 Ų15473%0.72780%0.799SS**  trans-75.810217455.70000108.5R236 K240R236-S238 PolarHBondContact O-N 3.25Å; S238-K240 PolarHBondContact O-N 2.94Å
239S56Low55.9Low101 Ų101153.9 Ų153.971%0.70680%0.798SS**  trans-67.199.8166.952.30000108.3V237 T241V237-S239 PolarHBondContact O-N 2.93Å; S239-T241 VanDerWaalsContact C-N 3.26Å; S239-T241 PolarHBondContact O-N 3.25Å
240K45.2Very low53.8Low186 Ų186148.1 Ų148.181%0.80980%0.796SS**  trans-73.779.4175.1-162.2171.3-171.4171.40108.8S238 K242S238-K240 PolarHBondContact O-N 2.94Å; K240-K242 PolarHBondContact O-N 3.5Å; K240-K242 VanDerWaalsContact O-N 3.14Å
241T49Very low52.5Low120 Ų120145.8 Ų145.874%0.73680%0.801SS**  trans-72.9102.9171.136.40000109.1S239 S243S239-T241 VanDerWaalsContact C-N 3.26Å; S239-T241 PolarHBondContact O-N 3.25Å; T241-S243 PolarHBondContact O-N 3.16Å; T241-S243 VanDerWaalsContact O-N 3.16Å
242K40.7Very low51.1Low195 Ų195146.9 Ų146.985%0.84881%0.806SS**  trans-72.695.2167-70.8178.2179.6175.20108.1K240K240-K242 PolarHBondContact O-N 3.5Å; K240-K242 VanDerWaalsContact O-N 3.14Å
243S47.6Very low49.5Very low105 Ų105145.9 Ų145.973%0.73481%0.813SS**  trans-122.881.1167.363.80000110.1T241 K245T241-S243 PolarHBondContact O-N 3.16Å; T241-S243 VanDerWaalsContact O-N 3.16Å; S243-K245 PolarHBondContact O-N 3.35Å
244S38.6Very low48.3Very low126 Ų126148.8 Ų148.888%0.88183%0.827SS**  trans-76.192.5158.7580000108.1
245K42.5Very low47.3Very low201 Ų201151.2 Ų151.287%0.87483%0.83SS**  trans-130.8105.7165.5-149.9163.2-175.2170.70108.9S243 G247S243-K245 PolarHBondContact O-N 3.35Å; K245-G247 PolarHBondContact O-N 2.82Å
246K41.2Very low46Very low201 Ų201146.2 Ų146.287%0.87483%0.83SS**  trans-40126.9177.7-123.3167.9176.6175.60110.8T248K246-T248 PolarHBondContact O-N 3.02Å
247G38Very low45.2Very low84 Ų84141.6 Ų141.687%0.86683%0.828SS**  trans-66.6111.6173.500000110.8K245K245-G247 PolarHBondContact O-N 2.82Å
248T44Very low44.4Very low137 Ų137144.8 Ų144.884%0.8483%0.83SS**PPolyproline II helixtrans-90.2122.8166.9-32.40000107.6K246 G250K246-T248 PolarHBondContact O-N 3.02Å; T248-G250 PolarHBondContact O-N 3.1Å
249K41.8Very low43.5Very low203 Ų203142.9 Ų142.988%0.88383%0.827SS**PPolyproline II helixtrans-46.1123.1177.9-84.4174.1171.2172.60111T251K249-T251 PolarHBondContact O-N 3.37Å
250G38.4Very low42.9Very low79 Ų79147.9 Ų147.981%0.81484%0.836SS**PPolyproline II helixtrans-66.5117.2172.900000110.9T248T248-G250 PolarHBondContact O-N 3.1Å
251T44.2Very low43Very low138 Ų138150.6 Ų150.685%0.84784%0.841SS**PPolyproline II helixtrans-76128.2160.333.20000108.3K249 G253K249-T251 PolarHBondContact O-N 3.37Å; T251-G253 PolarHBondContact O-N 3.25Å
252K46Very low42.6Very low212 Ų212148.2 Ų148.292%0.92284%0.84SS**  trans-59.2102174.4-82.9176.6173.5174.10109
253G38.1Very low42.8Very low74 Ų74148.6 Ų148.676%0.76384%0.842SS**  trans-66.6129.9169.400000110.2T251T251-G253 PolarHBondContact O-N 3.25Å
254T43.6Very low42.7Very low140 Ų140145.8 Ų145.886%0.85983%0.83SS**  trans-60.9142174.533.60000111G256T254-G256 PolarHBondContact O-N 3.1Å
255K47Very low43.1Very low211 Ų211149.5 Ų149.592%0.91783%0.83SS**  trans-55.8103.2-180-69.7178.5177.7176.40110T257K255-T257 PolarHBondContact O-N 2.79Å
256G39.6Very low43.5Very low75 Ų75150.2 Ų150.277%0.77383%0.829SS**  trans-63.4123.8169.300000109.7T254 K258T254-G256 PolarHBondContact O-N 3.1Å; G256-K258 PolarHBondContact O-N 2.82Å
257T44.4Very low44Very low139 Ų139149 Ų14985%0.85382%0.824SS**  trans-59.8129.5173.934.80000109.8K255 G259K255-T257 PolarHBondContact O-N 2.79Å; T257-G259 VanDerWaalsContact C-N 3.35Å; T257-G259 PolarHBondContact O-N 2.96Å
258K47.8Very low44.6Very low210 Ų210155 Ų15591%0.91383%0.825SS**  trans-56.694.8174.1-86.6178.5173.2172.70109.2G256 K260G256-K258 PolarHBondContact O-N 2.82Å; K258-K260 PolarHBondContact O-N 3.44Å
259G40.1Very low45.1Very low63 Ų63158 Ų15865%0.64982%0.823SS**  trans-61.4116168.900000109.1T257 R261T257-G259 VanDerWaalsContact C-N 3.35Å; T257-G259 PolarHBondContact O-N 2.96Å; G259-R261 PolarHBondContact O-N 3.02Å
260K43.8Very low45.1Very low207 Ų207151.4 Ų151.490%0.981%0.812SS**  trans-57.898.8170.7-67.5-178.3178.9-178.90108.1K258 G262K258-K260 PolarHBondContact O-N 3.44Å; K260-G262 PolarHBondContact O-N 3.48Å
261R47.5Very low45.5Very low243 Ų243154 Ų15492%0.91781%0.807SS**  trans-67.1105.7171.1-74.1-177.8123.6153.9-1.2107.4G259 K263G259-R261 PolarHBondContact O-N 3.02Å; R261-K263 PolarHBondContact O-N 3.23Å
262G39.2Very low45.8Very low70 Ų70158.3 Ų158.372%0.72281%0.808SS**  trans-53.2133.5175.400000110.5K260 G264K260-G262 PolarHBondContact O-N 3.48Å; G262-G264 PolarHBondContact O-N 2.79Å
263K45.2Very low46.1Very low203 Ų203157.7 Ų157.788%0.88380%0.801SS**  trans-60.1101.8174.1-65.3-176.1177.9-178.80108.2R261 K265R261-K263 PolarHBondContact O-N 3.23Å; K263-K265 PolarHBondContact O-N 2.71Å
264G44.9Very low46.9Very low46 Ų46162.7 Ų162.747%0.47480%0.802SS.*  trans-59.6127.717400000109.7G262 Y266G262-G264 PolarHBondContact O-N 2.79Å; G264-Y266 WeakPolarHBondContact O-CE2 3.3Å; G264-Y266 PolarHBondContact O-N 2.67Å; G264-Y266 VanDerWaalsContact O-N 3.1Å
265K48.4Very low47.3Very low204 Ų204161.8 Ų161.889%0.88780%0.799SS**  trans-68.4102.5176-63-179.6179.5-179.10108.5K263 K267K263-K265 PolarHBondContact O-N 2.71Å; K265-K267 PolarHBondContact O-N 2.92Å
266Y49.8Very low47.3Very low216 Ų216160.2 Ų160.285%0.84779%0.794SS**  trans-66.6117.1172.8-42-79.8000108.9G264 K268G264-Y266 WeakPolarHBondContact O-CE2 3.3Å; G264-Y266 PolarHBondContact O-N 2.67Å; G264-Y266 VanDerWaalsContact O-N 3.1Å; Y266-K268 PolarHBondContact O-N 3.18Å
267K51.4Low48.1Very low176 Ų176162.5 Ų162.577%0.76580%0.796SS**  trans-72.8108.1168.6-81179.3175175.70107.9K265 Y269K265-K267 PolarHBondContact O-N 2.92Å; K267-Y269 WeakPolarHBondContact O-CD2 3.35Å; K267-Y269 PolarHBondContact O-N 2.81Å; K267-Y269 VanDerWaalsContact O-N 3.12Å
268K51.9Low48.5Very low208 Ų208161.6 Ų161.690%0.90479%0.79SS**  trans-68.4101.9172.4-165.8175.8-173.7179.70108Y266 G270Y266-K268 PolarHBondContact O-N 3.18Å; K268-G270 PolarHBondContact O-N 3.35Å
269Y54.1Low48.6Very low202 Ų202157.2 Ų157.279%0.79278%0.783SS**  trans-69.598.6171.4-67.4-84.6000108.3K267 N271K267-Y269 WeakPolarHBondContact O-CD2 3.35Å; K267-Y269 PolarHBondContact O-N 2.81Å; K267-Y269 VanDerWaalsContact O-N 3.12Å; Y269-N271 PolarHBondContact O-N 3.27Å
270G40.8Very low48.9Very low63 Ų63162.6 Ų162.665%0.64979%0.791SS**  trans-6993.1168.700000109.3K268 R272K268-G270 PolarHBondContact O-N 3.35Å; G270-R272 PolarHBondContact O-N 2.84Å
271N48.8Very low49.5Very low134 Ų134158.1 Ų158.172%0.71778%0.783SS**  trans-65.888.2166.9-102.91.8000108.4Y269 Y273Y269-N271 PolarHBondContact O-N 3.27Å; N271-Y273 HydrophobicContact CB-CD2 4.19Å; N271-Y273 PolarHBondContact O-N 2.84Å
272R50.3Low49.7Very low229 Ų229155.4 Ų155.486%0.86478%0.781SS**  trans-7573.9167.5-70.7-170.5-79.3-155.5-2.7108.6G270 K274G270-R272 PolarHBondContact O-N 2.84Å; R272-K274 PolarHBondContact O-N 3.04Å; R272-K274 VanDerWaalsContact O-N 3.13Å
273Y50.9Low50.2Low199 Ų199160.4 Ų160.478%0.7879%0.786SS**  trans-72.399.2160.7-89-87.9000107.1N271N271-Y273 HydrophobicContact CB-CD2 4.19Å; N271-Y273 PolarHBondContact O-N 2.84Å
274K54.8Low50.5Low179 Ų179156.5 Ų156.578%0.77878%0.781SS**PPolyproline II helixtrans-73.1121.4164.3-69.3-176177.3-174.40106.7R272 Q276R272-K274 PolarHBondContact O-N 3.04Å; R272-K274 VanDerWaalsContact O-N 3.13Å; K274-Q276 PolarHBondContact O-N 3.12Å
275P52.6Low50.7Low121 Ų121163 Ų16379%0.78680%0.799SS**PPolyproline II helixtrans-58.5134.7173.222.3-29.8000109.2
276Q48.2Very low50.6Low177 Ų177159.8 Ų159.883%0.82780%0.796SS**PPolyproline II helixtrans-67142.4174.7-75.4-159-8.200109.8K274 T278K274-Q276 PolarHBondContact O-N 3.12Å; Q276-T278 PolarHBondContact O-N 2.72Å
277P54.7Low50.5Low123 Ų123156.8 Ų156.880%0.79979%0.793SS**PPolyproline II helixtrans-57.5128.1173.2-19.430.4000110.3
278T53.8Low50.2Low121 Ų121153.9 Ų153.974%0.74279%0.792SS**PPolyproline II helixtrans-64.4130.8175.1-38.30000108.9Q276 H280Q276-T278 PolarHBondContact O-N 2.72Å; T278-H280 PolarHBondContact O-N 3.45Å
279P49.9Very low49.8Very low118 Ų118153.1 Ų153.177%0.76679%0.792SS**PPolyproline II helixtrans-60.1121.2174.7-19.330.7000109.3
280H45.8Very low49.1Very low176 Ų176152 Ų15282%0.81579%0.794SS**PPolyproline II helixtrans-65.8140.5171.1-92.8-88.5000109.3T278 E282T278-H280 PolarHBondContact O-N 3.45Å; H280-E282 PolarHBondContact O-N 3.36Å
281P56.2Low49.1Very low113 Ų113151.8 Ų151.873%0.73479%0.792SS**PPolyproline II helixtrans-60.9127.5174.223.8-30.5000109.5E283P281-E283 PolarHBondContact O-N 2.94Å
282E52.5Low49Very low185 Ų185153.9 Ų153.986%0.86480%0.797SS**PPolyproline II helixtrans-56.7124.1171.4-77.9175.8150.100109H280H280-E282 PolarHBondContact O-N 3.36Å
283E49.7Very low48.8Very low176 Ų176150.5 Ų150.582%0.82280%0.796SS**PPolyproline II helixtrans-62.6141.2170.5-73.2-176.5168.900109.5P281 Q285P281-E283 PolarHBondContact O-N 2.94Å; E283-Q285 PolarHBondContact O-N 2.96Å; E283-Q285 VanDerWaalsContact O-N 3.13Å
284P50.7Low48.5Very low121 Ų121147.7 Ų147.779%0.78680%0.795SS**PPolyproline II helixtrans-59.9119.2-177.922.1-31000110.3T286P284-T286 PolarHBondContact O-N 3.14Å
285Q49.6Very low47.7Very low183 Ų183142.5 Ų142.586%0.85579%0.792SS**PPolyproline II helixtrans-59.6119.6172.2-67.1-175.9-1.600109E283 I287E283-Q285 PolarHBondContact O-N 2.96Å; E283-Q285 VanDerWaalsContact O-N 3.13Å; Q285-I287 PolarHBondContact O-N 3.32Å
286T45.4Very low47.3Very low135 Ų135145 Ų14583%0.82879%0.793SS**PPolyproline II helixtrans-69.6120.9170.2370000108.5P284P284-T286 PolarHBondContact O-N 3.14Å
287I47.6Very low47.3Very low153 Ų153144.5 Ų144.579%0.78580%0.796SS**PPolyproline II helixtrans-63.3133.6176.4-57.3171.9000107.5Q285 Q289Q285-I287 PolarHBondContact O-N 3.32Å; I287-Q289 PolarHBondContact O-N 3.02Å
288P46.1Very low47Very low115 Ų115146.4 Ų146.475%0.74779%0.794SS**PPolyproline II helixtrans-56126.7179.8-21.631.7000110.2H290P288-H290 PolarHBondContact O-N 2.93Å; P288-H290 VanDerWaalsContact O-N 3.12Å
289Q43.8Very low46.5Very low192 Ų192148.2 Ų148.290%0.89779%0.794SS**PPolyproline II helixtrans-57.8118.6169.9-74.4-176.6-35.400107.7I287 G291I287-Q289 PolarHBondContact O-N 3.02Å; Q289-G291 PolarHBondContact O-N 3.17Å
290H38.5Very low46.2Very low180 Ų180150.8 Ų150.883%0.83380%0.802SS**  trans-58.9107.6174.6-153.5-60.6000106.5P288 E292P288-H290 PolarHBondContact O-N 2.93Å; P288-H290 VanDerWaalsContact O-N 3.12Å; H290-E292 PolarHBondContact O-N 2.93Å
291G40.2Very low45.8Very low58 Ų58150.2 Ų150.260%0.59880%0.799SS**  trans-56.5123.317400000108.4Q289 D293Q289-G291 PolarHBondContact O-N 3.17Å; G291-D293 PolarHBondContact O-N 3.09Å
292E47.6Very low44.9Very low178 Ų178157.7 Ų157.783%0.83282%0.824SS**  trans-64.3104.6158.8-66.1172.4168.400104.7H290 D294H290-E292 PolarHBondContact O-N 2.93Å; E292-D294 PolarHBondContact O-N 3.44Å
293D46.4Very low44.5Very low158 Ų158156.3 Ų156.385%0.84582%0.822SS**  trans-87.196.9176-16618.2000106.2G291 G295G291-D293 PolarHBondContact O-N 3.09Å; D293-G295 PolarHBondContact O-N 3.35Å
294D43.3Very low44.2Very low140 Ų140155.3 Ų155.375%0.74982%0.822SS**  trans-68.377.4176.1-60.7-40.8000109.2E292 E296E292-D294 PolarHBondContact O-N 3.44Å; D294-E296 VanDerWaalsContact C-N 3.29Å; D294-E296 PolarHBondContact O-N 2.77Å
295G39.7Very low43.8Very low70 Ų70157.2 Ų157.272%0.72282%0.824SS**  trans-7875.2174.300000111.6D293D293-G295 PolarHBondContact O-N 3.35Å
296E43Very low43.5Very low172 Ų172155.6 Ų155.680%0.80482%0.823SS**  trans-80.2100.9156.8-67.7-171.8173.800108.2D294D294-E296 VanDerWaalsContact C-N 3.29Å; D294-E296 PolarHBondContact O-N 2.77Å
297D49.7Very low43.4Very low168 Ų168156.9 Ų156.990%0.89882%0.822SS**  trans-127.696.1160.4-86.2-35.4000108
298E47.9Very low43.1Very low162 Ų162157.2 Ų157.276%0.75783%0.825SS**  trans-56.9150.9168.9-72.3178.1150.200111.9
299E42.8Very low42.9Very low159 Ų159160.2 Ų160.274%0.74383%0.83SS**  trans62.399.4146.8-68177.3-177.700118.3
300N43.4Very low42.8Very low172 Ų172157.8 Ų157.892%0.9283%0.825SS**  trans-12579.1141.2-136.1-3.2000108.7
301E37.8Very low43.2Very low164 Ų164155.9 Ų155.977%0.76683%0.825SS**  trans-74.4110.5157.4-77.7-170.7141.900108.8
302Q36.5Very low43.5Very low270 Ų270164.8 Ų164.8100%1.26285%0.845SS**  trans178.90137.2-100.9167.251.800112.3

Retrieved 302 of 302 residues in 53.4 ms (Link to these results)