A0A5K4F8W4_SCHMA Loading...

Stabilizer of axonemal microtubules 2

AlphaFold DB , UniProt , Accession A0A5K4F8W4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 489 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
1M39.3Very low64.5Low236 Ų236112.5 Ų112.5100%1.16356%0.563SS**  0116.40-69.8-165.2161.300107.5N3M1-N3 PolarHBondContact O-N 3.18Å
2R39.1Very low65.9Low250 Ų250113.4 Ų113.494%0.94357%0.565SS**  trans-77116.9-175.6-65.2178.9-157177.96.2107.8E4R2-E4 PolarHBondContact O-N 3.42Å
3N47.5Very low67.2Low159 Ų159104.8 Ų104.885%0.8552%0.522SS*.  trans-63.4112173.1-74.6-24.3000108.3M1M1-N3 PolarHBondContact O-N 3.18Å
4E51.8Low68.2Low172 Ų17298.6 Ų98.680%0.80449%0.493SS*.  trans-58.4141.5168.2-79.2-157.3146.400109.8R2 S6R2-E4 PolarHBondContact O-N 3.42Å; E4-S6 PolarHBondContact O-N 2.96Å
5P57.8Low69Low87 Ų87101 Ų10157%0.56551%0.508SS*.  trans-62.2111.417625.9-32.2000108.7K7P5-K7 PolarHBondContact O-N 3.4Å
6S67.6Low69.5Low75 Ų7598.3 Ų98.352%0.52450%0.501SS..  trans-51.8114.2-177.356.40000110.8E4 L8E4-S6 PolarHBondContact O-N 2.96Å; S6-L8 PolarHBondContact O-N 2.98Å
7K79.4Confident69.7Low122 Ų12295.1 Ų95.153%0.5350%0.498SS..  trans-64.2115.1169.2-76.1-177.3-178.7-170.30108.7P5 E449 I457P5-K7 PolarHBondContact O-N 3.4Å; K7-E449 WeakPolarHBondContact CD-OE1 3.49Å; K7-E449 WeakPolarHBondContact CE-OE1 3.41Å; K7-E449 IonicContact NZ-OE1 3.26Å; K7-E449 PolarHBondContact NZ-OE1 2.95Å; K7-E449 IonicContact NZ-OE2 2.73Å; K7-I457 HydrophobicContact CB-CG2 3.52Å; K7-I457 HydrophobicContact CD-CG2 4.25Å; K7-I457 HydrophobicContact CG-CG2 3.94Å
8L82.9Confident70Confident36 Ų3698.3 Ų98.319%0.18850%0.502CS..EExtended strand (participates in β ladder)trans-117.5135.7-176.5-64.8175.2000111.6S6 Q12 I13 Y445 Y458S6-L8 PolarHBondContact O-N 2.98Å; L8-Q12 VanDerWaalsContact CA-OE1 3.31Å; L8-Q12 HydrophobicContact CB-CB 4.24Å; L8-Q12 HydrophobicContact CD2-CB 4Å; L8-I13 HydrophobicContact CB-CD1 4.13Å; L8-I13 HydrophobicContact CB-CG1 3.82Å; L8-I13 HydrophobicContact CD1-CG1 4.37Å; L8-Y445 HydrophobicContact CD1-CE1 4.02Å; L8-Y458 PolarHBondContact N-O 2.8Å; L8-Y458 PolarHBondContact O-N 2.69Å
9C84.9Confident70.3Confident16 Ų1696.3 Ų96.311%0.10849%0.49CS..EExtended strand (participates in β ladder)trans-77.5158.4171.3-177.10000110.9C11 Q12 I13 Q456C9-C11 PolarHBondContact O-N 2.98Å; C9-Q12 WeakPolarHBondContact O-CA 3.46Å; C9-Q12 WeakPolarHBondContact O-CB 3.47Å; C9-Q12 PolarHBondContact O-N 3.39Å; C9-I13 WeakPolarHBondContact O-CG1 3.21Å; C9-I13 PolarHBondContact O-N 3.05Å; C9-I13 VanDerWaalsContact O-N 3.16Å; C9-Q456 WeakPolarHBondContact CA-O 3.48Å
10I82.4Confident70.3Confident29 Ų2998.3 Ų98.315%0.14950%0.496CS..Hα-helixtrans-47.9-36.2173.7-141.8168000113.1Q12 I13 C14 C21 A435 L438 Y458I10-Q12 VanDerWaalsContact C-N 3.31Å; I10-Q12 PolarHBondContact O-N 3.07Å; I10-I13 PolarHBondContact O-N 3Å; I10-C14 VanDerWaalsContact O-CB 3.29Å; I10-C14 WeakPolarHBondContact O-CB 3.32Å; I10-C14 PolarHBondContact O-N 2.89Å; I10-C14 VanDerWaalsContact O-N 3.08Å; I10-C21 HydrophobicContact CG2-CB 4.14Å; I10-A435 HydrophobicContact CG1-CB 4.38Å; I10-L438 HydrophobicContact CD1-CD1 3.96Å; I10-L438 HydrophobicContact CG1-CD1 3.53Å; I10-Y458 HydrophobicContact CB-CE2 4.3Å; I10-Y458 HydrophobicContact CG1-CE2 4.25Å
11C77.2Confident70.3Confident55 Ų5594 Ų9437%0.37248%0.475SS..Hα-helixtrans-65.1-32.9177.2-58.30000113.3C9 C21C9-C11 PolarHBondContact O-N 2.98Å; C11-C21 WeakPolarHBondContact SG-CB 3.35Å; C11-C21 PolarHBondContact SG-N 2.66Å
12Q81.1Confident71.6Confident124 Ų12488.2 Ų88.258%0.57946%0.455SS*.Hα-helixtrans-84.6-22.1-179-66.8173.6-39.500111.8L8 C9 I10L8-Q12 VanDerWaalsContact CA-OE1 3.31Å; L8-Q12 HydrophobicContact CB-CB 4.24Å; L8-Q12 HydrophobicContact CD2-CB 4Å; C9-Q12 WeakPolarHBondContact O-CA 3.46Å; C9-Q12 WeakPolarHBondContact O-CB 3.47Å; C9-Q12 PolarHBondContact O-N 3.39Å; I10-Q12 VanDerWaalsContact C-N 3.31Å; I10-Q12 PolarHBondContact O-N 3.07Å
13I82.3Confident72.7Confident2 Ų281.8 Ų81.81%0.0144%0.435CS..Hα-helixtrans-85.9-18.2175.7-58.1166000110.8L8 C9 I10 N15 P434 A435 L438 Y445 Y458L8-I13 HydrophobicContact CB-CD1 4.13Å; L8-I13 HydrophobicContact CB-CG1 3.82Å; L8-I13 HydrophobicContact CD1-CG1 4.37Å; C9-I13 WeakPolarHBondContact O-CG1 3.21Å; C9-I13 PolarHBondContact O-N 3.05Å; C9-I13 VanDerWaalsContact O-N 3.16Å; I10-I13 PolarHBondContact O-N 3Å; I13-N15 PolarHBondContact O-N 2.91Å; I13-P434 HydrophobicContact CG2-CB 3.83Å; I13-P434 HydrophobicContact CG2-CG 4.38Å; I13-P434 WeakPolarHBondContact O-CG 3.47Å; I13-A435 HydrophobicContact CG2-CB 4.33Å; I13-L438 HydrophobicContact CD1-CD2 4.36Å; I13-L438 HydrophobicContact CG2-CD2 4.47Å; I13-Y445 HydrophobicContact CD1-CD1 4.1Å; I13-Y445 HydrophobicContact CD1-CD2 4.44Å; I13-Y445 HydrophobicContact CD1-CG 4.07Å; I13-Y445 HydrophobicContact CG1-CD1 4.42Å; I13-Y445 HydrophobicContact CG1-CE1 4.34Å; I13-Y445 HydrophobicContact CG1-CE2 4.47Å; I13-Y445 HydrophobicContact CG2-CD2 3.68Å; I13-Y445 HydrophobicContact CG2-CE2 3.6Å; I13-Y445 HydrophobicContact CG2-CG 4.37Å; I13-Y458 HydrophobicContact CD1-CD2 3.67Å; I13-Y458 HydrophobicContact CD1-CG 3.85Å
14C81.7Confident73.1Confident18 Ų1879.6 Ų79.612%0.12242%0.42CS..  trans-84.5115.8-173.9179.20000113.1I10 G17 H19 A435I10-C14 VanDerWaalsContact O-CB 3.29Å; I10-C14 WeakPolarHBondContact O-CB 3.32Å; I10-C14 PolarHBondContact O-N 2.89Å; I10-C14 VanDerWaalsContact O-N 3.08Å; C14-G17 PolarHBondContact SG-N 3.43Å; C14-G17 VanDerWaalsContact SG-N 3.39Å; C14-H19 HydrophobicContact CB-CB 3.88Å; C14-H19 PolarHBondContact SG-N 2.82Å; C14-H19 VanDerWaalsContact SG-N 3.39Å; C14-H19 PolarHBondContact SG-ND1 3.37Å; C14-A435 HydrophobicContact CB-CB 3.81Å
15N79.9Confident73.1Confident134 Ų13481.6 Ų81.672%0.71743%0.426SS*.SBendtrans-94.1-11.9174.8-63.32.6000113.3I13 C433I13-N15 PolarHBondContact O-N 2.91Å; N15-C433 PolarHBondContact N-SG 3.04Å; N15-C433 VanDerWaalsContact N-SG 3.38Å
16C76.8Confident72.8Confident57 Ų5786.5 Ų86.539%0.38543%0.433SS..SBendtrans-96.7-0.2-176.567.60000114.7R18 H19 C433C16-R18 PolarHBondContact O-N 3.01Å; C16-H19 VanDerWaalsContact SG-CE1 3.52Å; C16-H19 PolarHBondContact SG-ND1 2.85Å; C16-C433 HydrophobicContact CB-CB 3.95Å; C16-C433 PolarHBondContact SG-SG 2.92Å
17G74.3Confident72Confident44 Ų4492.8 Ų92.845%0.45445%0.451SS..SBendtrans67.2-5.6-177.600000116.6C14 K20C14-G17 PolarHBondContact SG-N 3.43Å; C14-G17 VanDerWaalsContact SG-N 3.39Å; G17-K20 WeakPolarHBondContact O-CE 3.39Å
18R74.6Confident70.8Confident154 Ų15491.5 Ų91.558%0.58145%0.453SS*.  trans-86.7-27.7-176.9-63.4-175.9178.2-152-2.5114.1C16 K20C16-R18 PolarHBondContact O-N 3.01Å; R18-K20 PolarHBondContact O-N 2.85Å
19H74.8Confident69.4Low59 Ų5998.5 Ų98.527%0.27349%0.485SS..  trans-91.1107.5178.5-50.288.6000109.4C14 C16 A435C14-H19 HydrophobicContact CB-CB 3.88Å; C14-H19 PolarHBondContact SG-N 2.82Å; C14-H19 VanDerWaalsContact SG-N 3.39Å; C14-H19 PolarHBondContact SG-ND1 3.37Å; C16-H19 VanDerWaalsContact SG-CE1 3.52Å; C16-H19 PolarHBondContact SG-ND1 2.85Å; H19-A435 HydrophobicContact CB-CB 3.91Å
20K70.7Confident67.8Low137 Ų137104.6 Ų104.660%0.59652%0.515SS*.  trans-118.1138.4178.8-63.3177.2-173-71.80108.5G17 R18G17-K20 WeakPolarHBondContact O-CE 3.39Å; R18-K20 PolarHBondContact O-N 2.85Å
21C70.2Confident66.6Low9 Ų9109.6 Ų109.66%0.06155%0.547CS..  trans-71.9136.8168.9-164.60000108.5I10 C11 H23 H455I10-C21 HydrophobicContact CG2-CB 4.14Å; C11-C21 WeakPolarHBondContact SG-CB 3.35Å; C11-C21 PolarHBondContact SG-N 2.66Å; C21-H23 PolarHBondContact O-N 3.21Å; C21-H455 PolarHBondContact SG-ND1 3.48Å
22P67.9Low65.7Low113 Ų113115.1 Ų115.173%0.73457%0.565SS**THydrogen-bonded Turntrans-55.2-16.4-179.311.7-25.9000115.3
23H60.8Low64.5Low116 Ų116114.9 Ų114.954%0.53757%0.574SS.*THydrogen-bonded Turntrans-111.512-166.2-64.4-71.2000117.3C21 T453C21-H23 PolarHBondContact O-N 3.21Å; H23-T453 WeakPolarHBondContact CB-O 3.46Å
24Q57.5Low63.2Low112 Ų112119.6 Ų119.652%0.52361%0.606SS.*  trans-148.8111.2168.2-122177.114.800113.4R26Q24-R26 PolarHBondContact O-N 2.81Å
25K51.6Low62.2Low214 Ų214127 Ų12793%0.9364%0.639SS**  trans-73.351.1169.2-64.4-176.5-178.1178.80111.7K27K25-K27 PolarHBondContact O-N 3.33Å; K25-K27 VanDerWaalsContact O-N 3.07Å
26R50.6Low61.4Low191 Ų191124.8 Ų124.872%0.72163%0.626SS**  trans-68.7107.8168.7-88.2-172.7169.5-159.5-1.5108.3Q24 T28Q24-R26 PolarHBondContact O-N 2.81Å; R26-T28 PolarHBondContact O-N 2.84Å
27K50.5Low61Low206 Ų206125 Ų12590%0.89663%0.629SS**  trans-64.892.9169.2-75.7-178.6176.5-179.90108.2K25 Q29K25-K27 PolarHBondContact O-N 3.33Å; K25-K27 VanDerWaalsContact O-N 3.07Å; K27-Q29 PolarHBondContact O-N 2.93Å
28T53.5Low60.9Low95 Ų95130.2 Ų130.258%0.58364%0.641SS**  trans-73.4115.2163.846.80000107.5R26 I30R26-T28 PolarHBondContact O-N 2.84Å; T28-I30 PolarHBondContact O-N 3.41Å; T28-I30 VanDerWaalsContact O-N 3.14Å
29Q53.9Low60.2Low184 Ų184130.6 Ų130.686%0.8664%0.643SS**  trans-59.8114.3170.7-70178.6-3.200107.8K27 T31K27-Q29 PolarHBondContact O-N 2.93Å; Q29-T31 PolarHBondContact O-N 2.72Å; Q29-T31 PolarHBondContact O-OG1 2.85Å
30I51.4Low59.7Low143 Ų143131.9 Ų131.973%0.73366%0.656SS**  trans-78.5100.1178.2-63.4170.5000106.4T28 K32T28-I30 PolarHBondContact O-N 3.41Å; T28-I30 VanDerWaalsContact O-N 3.14Å; I30-K32 WeakPolarHBondContact CG2-O 3.44Å; I30-K32 PolarHBondContact O-N 3.14Å
31T58.2Low59.5Low135 Ų135129.8 Ų129.883%0.82865%0.654SS**  trans-84.37.9-177-21.60000113.4Q29Q29-T31 PolarHBondContact O-N 2.72Å; Q29-T31 PolarHBondContact O-OG1 2.85Å
32K58.5Low59.4Low170 Ų170136.5 Ų136.574%0.73969%0.685SS**SBendtrans-139.1131.5177.5-64.6-172.5179.5-175.30110.6I30 C34I30-K32 WeakPolarHBondContact CG2-O 3.44Å; I30-K32 PolarHBondContact O-N 3.14Å; K32-C34 PolarHBondContact O-N 3.4Å
33P55.8Low59.4Low120 Ų120137.6 Ų137.678%0.77968%0.675SS**  trans-57.9134.8177.123.7-31.1000110E35P33-E35 PolarHBondContact O-N 3.42Å; P33-E35 VanDerWaalsContact O-N 3.11Å
34C54.2Low59.9Low100 Ų100138.2 Ų138.268%0.67668%0.681SS**  trans-68.9106.9-177.8-160.80000109K32 I36K32-C34 PolarHBondContact O-N 3.4Å; C34-I36 PolarHBondContact O-N 3.21Å
35E60.2Low60.2Low175 Ų175136.7 Ų136.782%0.81869%0.688SS**  trans-70.95.7-178.3-65.3178.5170.300114.1P33P33-E35 PolarHBondContact O-N 3.42Å; P33-E35 VanDerWaalsContact O-N 3.11Å
36I63.2Low60.7Low87 Ų87133.5 Ų133.545%0.44668%0.676SS.*  trans-110.995.2-179.6-53.5164.2000107.5C34 T41C34-I36 PolarHBondContact O-N 3.21Å; I36-T41 HydrophobicContact CG2-CG2 4.16Å
37S68.8Low61.6Low62 Ų62133.8 Ų133.843%0.43468%0.682SS.*  trans-84.6157.5169.859.20000110.5Y39 T40S37-Y39 PolarHBondContact O-N 3.06Å; S37-T40 PolarHBondContact O-N 3.46Å; S37-T40 PolarHBondContact O-OG1 3.08Å
38E71.3Confident62Low152 Ų152132 Ų13271%0.7168%0.682SS**Hα-helixtrans-52.8-30.4173.1-70.1-178.6158.100112T40 T41 Q42E38-T40 PolarHBondContact O-N 3.4Å; E38-T41 PolarHBondContact O-N 3.03Å; E38-T41 VanDerWaalsContact O-N 3.13Å; E38-T41 PolarHBondContact O-OG1 2.94Å; E38-Q42 PolarHBondContact O-N 2.81Å
39Y60.6Low62.8Low162 Ų162134.1 Ų134.164%0.63569%0.688SS**Hα-helixtrans-56.5-42.7174.9-173-99.1000113.1S37 T41 Q42 Y43S37-Y39 PolarHBondContact O-N 3.06Å; Y39-T41 VanDerWaalsContact C-N 3.29Å; Y39-T41 PolarHBondContact O-N 3.35Å; Y39-Q42 PolarHBondContact O-N 3.16Å; Y39-Y43 HydrophobicContact CE1-CD2 4.31Å; Y39-Y43 HydrophobicContact CE2-CD2 4.44Å; Y39-Y43 AromaticContact CZ-CD2 3.93Å; Y39-Y43 VanDerWaalsContact O-CB 3.3Å; Y39-Y43 WeakPolarHBondContact O-CB 3.37Å; Y39-Y43 PolarHBondContact O-N 3.16Å; Y39-Y43 VanDerWaalsContact O-N 3.08Å
40T64.4Low63.2Low86 Ų86130.6 Ų130.653%0.52868%0.681SS.*Hα-helixtrans-72.9-22.317951.30000113.1S37 E38S37-T40 PolarHBondContact O-N 3.46Å; S37-T40 PolarHBondContact O-OG1 3.08Å; E38-T40 PolarHBondContact O-N 3.4Å
41T66.5Low64.1Low93 Ų93130.4 Ų130.457%0.57169%0.686SS**Hα-helixtrans-87.4-23.7177.154.40000114.1I36 E38 Y39I36-T41 HydrophobicContact CG2-CG2 4.16Å; E38-T41 PolarHBondContact O-N 3.03Å; E38-T41 VanDerWaalsContact O-N 3.13Å; E38-T41 PolarHBondContact O-OG1 2.94Å; Y39-T41 VanDerWaalsContact C-N 3.29Å; Y39-T41 PolarHBondContact O-N 3.35Å
42Q68.8Low64.5Low150 Ų150132.1 Ų132.170%0.70169%0.685SS**Hα-helixtrans-107.3-4.8-177.3-66.2-176.61.600114E38 Y39 I44E38-Q42 PolarHBondContact O-N 2.81Å; Y39-Q42 PolarHBondContact O-N 3.16Å; Q42-I44 PolarHBondContact O-N 3.29Å; Q42-I44 VanDerWaalsContact O-N 3.16Å
43Y67.5Low65.2Low137 Ų137128.4 Ų128.454%0.53768%0.68SS.*  trans-67.1114-179-174.1-101.5000112Y39 A45Y39-Y43 HydrophobicContact CE1-CD2 4.31Å; Y39-Y43 HydrophobicContact CE2-CD2 4.44Å; Y39-Y43 AromaticContact CZ-CD2 3.93Å; Y39-Y43 VanDerWaalsContact O-CB 3.3Å; Y39-Y43 WeakPolarHBondContact O-CB 3.37Å; Y39-Y43 PolarHBondContact O-N 3.16Å; Y39-Y43 VanDerWaalsContact O-N 3.08Å; Y43-A45 HydrophobicContact CE1-CB 4.24Å; Y43-A45 PolarHBondContact O-N 3.41Å
44I71Confident65.7Low129 Ų129129.1 Ų129.166%0.66269%0.687SS**  trans-82110.7169.4-58.8171.4000107.1Q42 H46Q42-I44 PolarHBondContact O-N 3.29Å; Q42-I44 VanDerWaalsContact O-N 3.16Å; I44-H46 PolarHBondContact O-CD2 2.99Å; I44-H46 PolarHBondContact O-N 3.4Å
45A63.8Low66.4Low80 Ų80132.3 Ų132.366%0.66169%0.689SS**  trans-64.899.4175.400000110.3Y43 K47Y43-A45 HydrophobicContact CE1-CB 4.24Å; Y43-A45 PolarHBondContact O-N 3.41Å; A45-K47 PolarHBondContact O-N 2.79Å
46H62.7Low66.6Low147 Ų147129 Ų12968%0.68168%0.683SS**  trans-65.2129.8167.9-67.2-79.5000108.8I44 L48I44-H46 PolarHBondContact O-CD2 2.99Å; I44-H46 PolarHBondContact O-N 3.4Å; H46-L48 PolarHBondContact O-N 3.39Å
47K68.7Low66.6Low196 Ų196130.3 Ų130.385%0.85270%0.697SS**  trans-60.5113.2173-66.9-178.2-179.1-178.70107.8A45 I49A45-K47 PolarHBondContact O-N 2.79Å; K47-I49 VanDerWaalsContact C-N 3.3Å; K47-I49 PolarHBondContact O-N 3.39Å
48L59.5Low66Low170 Ų170135.6 Ų135.689%0.8971%0.714SS**  trans-67.993.5169.5-67.9171.7000107.1H46H46-L48 PolarHBondContact O-N 3.39Å
49I69.3Low65.4Low139 Ų139137.1 Ų137.171%0.71372%0.719SS**  trans-75.6123.4169.1-54.6170.4000105.4K47 V51K47-I49 VanDerWaalsContact C-N 3.3Å; K47-I49 PolarHBondContact O-N 3.39Å; I49-V51 PolarHBondContact O-N 3.43Å
50P63.7Low64.9Low109 Ų109131.8 Ų131.871%0.70871%0.713SS**  trans-51.2130.9173.5-23.432.4000109.4E52P50-E52 PolarHBondContact O-N 3.38Å
51V70.3Confident64.1Low139 Ų139134 Ų13484%0.84273%0.726SS**  trans-59.2112.4175.9177.40000107.3I49 S53I49-V51 PolarHBondContact O-N 3.43Å; V51-S53 PolarHBondContact O-N 3.47Å
52E66.4Low63.2Low171 Ų171137 Ų13780%0.79973%0.734SS**  trans-59.5133.2175.3-66.8-164.1172.600108.8P50 C54P50-E52 PolarHBondContact O-N 3.38Å; E52-C54 PolarHBondContact O-N 3.25Å
53S72Confident62.3Low92 Ų92134.5 Ų134.564%0.64374%0.738SS**  trans-60.6129.6-178.273.10000109.6V51 K55V51-S53 PolarHBondContact O-N 3.47Å; S53-K55 PolarHBondContact O-N 3.49Å
54C67.8Low61.4Low135 Ų135136.1 Ų136.191%0.91275%0.751SS**SBendtrans-66.66.7169.9-51.40000113.1E52E52-C54 PolarHBondContact O-N 3.25Å
55K67.5Low60.5Low167 Ų167132.7 Ų132.773%0.72675%0.748SS**SBendtrans-79.3125.2176-159.6175.2-175.4-178.10107.5S53S53-K55 PolarHBondContact O-N 3.49Å
56P66Low60.4Low106 Ų106137.9 Ų137.969%0.68876%0.758SS**PPolyproline II helixtrans-55.3135.1176.419.9-29.2000109.1H58P56-H58 PolarHBondContact O-N 3.48Å
57P61.4Low60.1Low114 Ų114138.6 Ų138.674%0.7476%0.763SS**PPolyproline II helixtrans-55.5133.8179.722.6-32.3000108.3K59P57-K59 VanDerWaalsContact C-N 3.29Å; P57-K59 PolarHBondContact O-N 3.46Å
58H57.3Low59.6Low173 Ų173133.3 Ų133.380%0.80176%0.756SS**  trans-59.398.5174.5179.6-82000107.1P56 G60P56-H58 PolarHBondContact O-N 3.48Å; H58-G60 VanDerWaalsContact C-N 3.3Å; H58-G60 PolarHBondContact O-N 3.09Å
59K59.3Low59.8Low185 Ų185129 Ų12980%0.80474%0.74SS**  trans-59.6104.3165.9-69.8-175179.7-176.50104.4P57 V61P57-K59 VanDerWaalsContact C-N 3.29Å; P57-K59 PolarHBondContact O-N 3.46Å; K59-V61 PolarHBondContact O-N 3.26Å
60G49.2Very low59.8Low50 Ų50127.1 Ų127.152%0.51573%0.732SS.*  trans-50.3111.5164.100000105.3H58 Q62H58-G60 VanDerWaalsContact C-N 3.3Å; H58-G60 PolarHBondContact O-N 3.09Å; G60-Q62 PolarHBondContact O-N 2.95Å
61V48.3Very low60.3Low133 Ų133125.8 Ų125.881%0.80672%0.722SS**  trans-58.5102.5172.4176.50000103.7K59 A63K59-V61 PolarHBondContact O-N 3.26Å; V61-A63 PolarHBondContact O-N 3.37Å
62Q46.1Very low60.5Low155 Ų155124.6 Ų124.672%0.72472%0.715SS**  trans-56.8115.8172-74.2-178.4-24.200104.9G60 E64G60-Q62 PolarHBondContact O-N 2.95Å; Q62-E64 PolarHBondContact O-N 3.11Å
63A49.9Very low61Low97 Ų97122.2 Ų122.280%0.80270%0.703SS**SBendtrans-72.937.6178.300000111.1V61 G65V61-A63 PolarHBondContact O-N 3.37Å; A63-G65 VanDerWaalsContact C-N 3.28Å; A63-G65 PolarHBondContact O-N 3.06Å
64E48.7Very low61.2Low172 Ų172125.4 Ų125.480%0.80470%0.701SS**  trans-98.859.6173.3-71.1172.4178.700107.4Q62Q62-E64 PolarHBondContact O-N 3.11Å
65G53.3Low61.7Low57 Ų57123.3 Ų123.359%0.58868%0.684SS**SBendtrans-162.8121.8176.600000107.3A63 M67A63-G65 VanDerWaalsContact C-N 3.28Å; A63-G65 PolarHBondContact O-N 3.06Å; G65-M67 PolarHBondContact O-N 3.5Å; G65-M67 VanDerWaalsContact O-N 3.13Å
66H61.2Low62.2Low189 Ų189120.6 Ų120.688%0.87568%0.678SS**  trans-51.3122.8178.4-151.3-78.5000108.4A68H66-A68 PolarHBondContact O-N 2.82Å
67M56.3Low62.4Low161 Ų161122.8 Ų122.879%0.79368%0.677SS**  trans-51.4117.5178.4-173.6-174.4-156.200107.5G65 S69G65-M67 PolarHBondContact O-N 3.5Å; G65-M67 VanDerWaalsContact O-N 3.13Å; M67-S69 VanDerWaalsContact C-N 3.28Å; M67-S69 PolarHBondContact O-N 3.47Å
68A57.7Low63.1Low85 Ų85121 Ų12170%0.70266%0.664SS**  trans-65.497.3172.100000106.5H66 D70H66-A68 PolarHBondContact O-N 2.82Å; A68-D70 PolarHBondContact O-N 3.05Å
69S64.7Low63.9Low80 Ų80118.5 Ų118.556%0.55966%0.663SS**  trans-63.4-4.9177.6-74.90000113.2M67 R74M67-S69 VanDerWaalsContact C-N 3.28Å; M67-S69 PolarHBondContact O-N 3.47Å; S69-R74 PolarHBondContact O-NH1 2.89Å
70D69.1Low64.3Low99 Ų99116.7 Ų116.753%0.52966%0.657SS.*  trans-93.8103.9176.8-60.6-32.5000109A68 R74 V75A68-D70 PolarHBondContact O-N 3.05Å; D70-R74 HydrophobicContact CB-CB 4.25Å; D70-V75 HydrophobicContact CB-CG2 3.76Å
71T74Confident65Low82 Ų82120 Ų12050%0.50367%0.669SS.*  trans-60.3153.9168.656.50000109.4H73 R74 V75T71-H73 CarbonylContact O-C 3.6Å; T71-H73 PolarHBondContact O-N 2.58Å; T71-R74 WeakPolarHBondContact O-CA 3.33Å; T71-R74 WeakPolarHBondContact O-CB 3.29Å; T71-R74 PolarHBondContact O-N 3.07Å; T71-R74 PolarHBondContact OG1-N 2.92Å; T71-V75 PolarHBondContact O-N 3.07Å; T71-V75 VanDerWaalsContact O-N 3.12Å
72T74.6Confident65.7Low114 Ų114121.6 Ų121.670%0.69967%0.672SS**Hα-helixtrans-49.6-37.9174.950.50000111.3R74 V75 D76T72-R74 PolarHBondContact O-N 3.16Å; T72-V75 PolarHBondContact O-N 3.16Å; T72-D76 WeakPolarHBondContact O-CB 3.47Å; T72-D76 PolarHBondContact O-N 3.23Å; T72-D76 VanDerWaalsContact O-OD2 3.1Å
73H76.8Confident66.3Low120 Ų120118.8 Ų118.856%0.55667%0.67SS**Hα-helixtrans-60.4-40.6172.1-172.5-53.4000114.1T71 V75 F77T71-H73 CarbonylContact O-C 3.6Å; T71-H73 PolarHBondContact O-N 2.58Å; H73-V75 VanDerWaalsContact C-N 3.33Å; H73-F77 WeakPolarHBondContact O-CB 3.49Å; H73-F77 PolarHBondContact O-N 3.01Å
74R75.9Confident66.4Low159 Ų159121.2 Ų121.260%0.667%0.668SS**Hα-helixtrans-68.8-31.8177.3-85.8-177.6135.2162.5-4.5112.8S69 D70 T71 T72 V78S69-R74 PolarHBondContact O-NH1 2.89Å; D70-R74 HydrophobicContact CB-CB 4.25Å; T71-R74 WeakPolarHBondContact O-CA 3.33Å; T71-R74 WeakPolarHBondContact O-CB 3.29Å; T71-R74 PolarHBondContact O-N 3.07Å; T71-R74 PolarHBondContact OG1-N 2.92Å; T72-R74 PolarHBondContact O-N 3.16Å; R74-V78 WeakPolarHBondContact O-CG2 3.31Å
75V78.5Confident66.2Low91 Ų91119.4 Ų119.455%0.55266%0.659SS**Hα-helixtrans-78.9-40.3176.9-177.60000111D70 T71 T72 H73D70-V75 HydrophobicContact CB-CG2 3.76Å; T71-V75 PolarHBondContact O-N 3.07Å; T71-V75 VanDerWaalsContact O-N 3.12Å; T72-V75 PolarHBondContact O-N 3.16Å; H73-V75 VanDerWaalsContact C-N 3.33Å
76D78Confident66.2Low111 Ų111124.4 Ų124.459%0.59467%0.672SS**Hα-helixtrans-83.8-29.5-173.8-62.4-23.4000112.9T72T72-D76 WeakPolarHBondContact O-CB 3.47Å; T72-D76 PolarHBondContact O-N 3.23Å; T72-D76 VanDerWaalsContact O-OD2 3.1Å
77F71Confident65.8Low152 Ų152119.3 Ų119.367%0.66766%0.658SS**  trans-115.461.1-178-69.9-94.1000112H73H73-F77 WeakPolarHBondContact O-CB 3.49Å; H73-F77 PolarHBondContact O-N 3.01Å
78V74.9Confident65.1Low77 Ų77116.6 Ų116.647%0.46765%0.654SS.*  trans-81.2131.7170-169.90000108.8R74 H80R74-V78 WeakPolarHBondContact O-CG2 3.31Å; V78-H80 PolarHBondContact O-N 3.11Å
79P73.6Confident64.5Low120 Ų120122.7 Ų122.778%0.77966%0.659SS**  trans-64.6100.71757.4-3.3000109.6
80H68.2Low64.2Low147 Ų147128.2 Ų128.268%0.68167%0.673SS**  trans-69127.3172.2-64.6-61.4000108.4V78 L82V78-H80 PolarHBondContact O-N 3.11Å; H80-L82 PolarHBondContact O-N 3.05Å
81P64.9Low63.7Low119 Ų119132.6 Ų132.677%0.77369%0.69SS**  trans-57.2118.2170.224-30.6000106.4S83P81-S83 PolarHBondContact O-N 3.43Å
82L62.2Low63Low167 Ų167132.1 Ų132.187%0.87470%0.695SS**  trans-61.693.2172-63.4175.9000105.3H80 I84H80-L82 PolarHBondContact O-N 3.05Å; L82-I84 PolarHBondContact O-N 3.41Å
83S57.8Low62.7Low96 Ų96135.6 Ų135.667%0.67170%0.703SS**  trans-56.4116.3164.961.70000103.6P81 Q85P81-S83 PolarHBondContact O-N 3.43Å; S83-Q85 PolarHBondContact O-N 3.08Å
84I52.8Low62.4Low148 Ų148138.7 Ų138.776%0.75971%0.711SS**  trans-50.2104.6173.3-62.3165.4000103.4L82 N86L82-I84 PolarHBondContact O-N 3.41Å; I84-N86 PolarHBondContact O-N 3.49Å
85Q45.1Very low62.3Low133 Ų133139.6 Ų139.662%0.62172%0.722SS**  trans-62.4118.7-179.3-73.4-141.7-25.200104.5S83 S87 C88S83-Q85 PolarHBondContact O-N 3.08Å; Q85-S87 WeakPolarHBondContact CB-OG 3.38Å; Q85-S87 PolarHBondContact O-N 3.4Å; Q85-S87 PolarHBondContact OE1-OG 2.81Å; Q85-C88 PolarHBondContact O-N 3.13Å
86N52.9Low62.2Low162 Ų162139.3 Ų139.387%0.86672%0.722SS**THydrogen-bonded Turntrans-58.7-3.6169.9-65.4-18.3000111.3I84I84-N86 PolarHBondContact O-N 3.49Å
87S52.7Low61.9Low83 Ų83138.9 Ų138.958%0.5873%0.725SS**THydrogen-bonded Turntrans-80.1-13.7170.376.20000114.4Q85 R89Q85-S87 WeakPolarHBondContact CB-OG 3.38Å; Q85-S87 PolarHBondContact O-N 3.4Å; Q85-S87 PolarHBondContact OE1-OG 2.81Å; S87-R89 PolarHBondContact O-N 3.03Å
88C42.2Very low62.2Low104 Ų104141.4 Ų141.470%0.70374%0.739SS**SBendtrans-71.982.8164.1-154.50000106.4Q85 K90Q85-C88 PolarHBondContact O-N 3.13Å; C88-K90 PolarHBondContact O-N 3.5Å
89R45.7Very low62.1Low212 Ų212140.7 Ų140.780%0.875%0.747SS**  trans-42.9111174-176.8179.3-173.9175.81.8106.4S87 E91S87-R89 PolarHBondContact O-N 3.03Å; R89-E91 PolarHBondContact O-N 3.25Å
90K57.2Low62Low197 Ų197141.3 Ų141.386%0.85775%0.749SS**  trans-44.4120170.8-69.8-177.4179.4179.60105.7C88 A92C88-K90 PolarHBondContact O-N 3.5Å; K90-A92 PolarHBondContact O-N 2.87Å
91E57.7Low62.5Low190 Ų190143.6 Ų143.689%0.88876%0.757SS**  trans-44.8110.8-179.9-75178.8164.300107.1R89 Q93R89-E91 PolarHBondContact O-N 3.25Å; E91-Q93 PolarHBondContact O-N 2.92Å
92A59.6Low62.9Low73 Ų73144.1 Ų144.160%0.60375%0.754SS**  trans-59.6121-178.200000105.6K90 Y94K90-A92 PolarHBondContact O-N 2.87Å; A92-Y94 PolarHBondContact O-N 3.38Å
93Q69.7Low63.6Low187 Ų187138.1 Ų138.187%0.87473%0.732SS**  trans-49.1115.3176.7-81.5179.3-15.500107.8E91 Q95E91-Q93 PolarHBondContact O-N 2.92Å; Q93-Q95 PolarHBondContact O-N 3.4Å; Q93-Q95 VanDerWaalsContact O-N 3.07Å
94Y70Confident64.8Low185 Ų185138.7 Ų138.773%0.72573%0.727SS**  trans-56.5116.3-177.6171.2-104.6000109A92 P96 P97A92-Y94 PolarHBondContact O-N 3.38Å; Y94-P96 HydrophobicContact CD1-CB 4.49Å; Y94-P96 HydrophobicContact CE1-CB 3.77Å; Y94-P96 WeakPolarHBondContact O-CD 3.1Å; Y94-P97 WeakPolarHBondContact OH-CD 3.43Å
95Q74.4Confident66Low177 Ų177135.3 Ų135.383%0.82771%0.714SS**  trans-90.1109.6168.4-68.7-165.3600107.7Q93Q93-Q95 PolarHBondContact O-N 3.4Å; Q93-Q95 VanDerWaalsContact O-N 3.07Å
96P75.4Confident67.8Low86 Ų86134.2 Ų134.256%0.55872%0.716SS**  trans-59.5139.7175.224-31.6000109.5Y94 Q98Y94-P96 HydrophobicContact CD1-CB 4.49Å; Y94-P96 HydrophobicContact CE1-CB 3.77Å; Y94-P96 WeakPolarHBondContact O-CD 3.1Å; P96-Q98 PolarHBondContact O-N 2.99Å
97P72.4Confident69.2Low101 Ų101133.9 Ų133.966%0.65670%0.704SS**  trans-57.7129.1176.623.1-31.5000109.3Y94 G99Y94-P97 WeakPolarHBondContact OH-CD 3.43Å; P97-G99 PolarHBondContact O-N 3.48Å
98Q76.7Confident70.6Confident206 Ų206133.3 Ų133.396%0.96370%0.697SS**  trans-72.620.8178.5-66.1-132.6-19.800113.7P96P96-Q98 PolarHBondContact O-N 2.99Å
99G73Confident72.5Confident61 Ų61135.9 Ų135.963%0.62970%0.696SS**  trans-89.4120.5175.700000110.8P97 F101P97-G99 PolarHBondContact O-N 3.48Å; G99-F101 PolarHBondContact O-N 3.16Å
100T72.2Confident74.1Confident134 Ų134133.3 Ų133.382%0.82269%0.693SS**  trans-66.9124164.650.80000109D102T100-D102 PolarHBondContact O-N 3.44Å
101F77.2Confident74.9Confident194 Ų194132.3 Ų132.385%0.85169%0.685SS**  trans-65.6113.9170.9175-111.9000108.7G99 G103G99-F101 PolarHBondContact O-N 3.16Å; F101-G103 VanDerWaalsContact CE1-CA 3.49Å; F101-G103 PolarHBondContact O-N 3.14Å; F101-G103 VanDerWaalsContact O-N 3.1Å
102D73.6Confident75.7Confident130 Ų130127 Ų12770%0.69567%0.666SS**  trans-64.4-18.2-172.3-154.114.8000112.2T100 L104T100-D102 PolarHBondContact O-N 3.44Å; D102-L104 WeakPolarHBondContact O-CG 3.39Å; D102-L104 PolarHBondContact O-N 3.23Å
103G77.8Confident76.3Confident42 Ų42127.1 Ų127.143%0.43367%0.674SS.*  trans61.8-1.917000000116.1F101 T105F101-G103 VanDerWaalsContact CE1-CA 3.49Å; F101-G103 PolarHBondContact O-N 3.14Å; F101-G103 VanDerWaalsContact O-N 3.1Å; G103-T105 PolarHBondContact O-N 3.12Å
104L81.9Confident76.4Confident108 Ų108126.5 Ų126.557%0.56567%0.669SS**  trans-84104.4-179.3-65179.1000109.7D102D102-L104 WeakPolarHBondContact O-CG 3.39Å; D102-L104 PolarHBondContact O-N 3.23Å
105T79.5Confident76.6Confident77 Ų77123.7 Ų123.747%0.47267%0.673SS.*  trans-71.4155.9164.267.50000110G103 Y107 T108 K109G103-T105 PolarHBondContact O-N 3.12Å; T105-Y107 PolarHBondContact O-N 3.2Å; T105-T108 PolarHBondContact N-OG1 2.92Å; T105-T108 PolarHBondContact O-N 3.42Å; T105-T108 VanDerWaalsContact O-N 3.16Å; T105-T108 PolarHBondContact O-OG1 3.45Å; T105-T108 VanDerWaalsContact O-OG1 3.09Å; T105-T108 PolarHBondContact OG1-N 2.98Å; T105-T108 VanDerWaalsContact OG1-N 3.12Å; T105-T108 PolarHBondContact OG1-OG1 3.03Å; T105-K109 PolarHBondContact O-N 3.25Å
106T81.1Confident76.1Confident109 Ų109118.3 Ų118.367%0.66967%0.665SS**Hα-helixtrans-53.8-36.6171.646.60000111.5K109 E110T106-K109 PolarHBondContact O-N 3.35Å; T106-E110 WeakPolarHBondContact O-CB 3.25Å; T106-E110 WeakPolarHBondContact O-CG 3.25Å; T106-E110 PolarHBondContact O-N 3.2Å
107Y82.3Confident75.9Confident155 Ų155123.5 Ų123.561%0.60868%0.682SS**Hα-helixtrans-61.7-48.9176-175.4-97.3000113.1T105 K109 E110 Y111T105-Y107 PolarHBondContact O-N 3.2Å; Y107-K109 VanDerWaalsContact C-N 3.3Å; Y107-K109 PolarHBondContact O-N 2.79Å; Y107-E110 PolarHBondContact O-N 3.38Å; Y107-Y111 HydrophobicContact CE2-CG 4.39Å; Y107-Y111 WeakPolarHBondContact O-CA 3.47Å; Y107-Y111 VanDerWaalsContact O-CB 3.24Å; Y107-Y111 WeakPolarHBondContact O-CB 3.25Å; Y107-Y111 PolarHBondContact O-N 3.06Å
108T82.6Confident75.8Confident71 Ų71126.8 Ų126.844%0.43669%0.693SS.*Hα-helixtrans-68.1-30177.832.10000112.8T105T105-T108 PolarHBondContact N-OG1 2.92Å; T105-T108 PolarHBondContact O-N 3.42Å; T105-T108 VanDerWaalsContact O-N 3.16Å; T105-T108 PolarHBondContact O-OG1 3.45Å; T105-T108 VanDerWaalsContact O-OG1 3.09Å; T105-T108 PolarHBondContact OG1-N 2.98Å; T105-T108 VanDerWaalsContact OG1-N 3.12Å; T105-T108 PolarHBondContact OG1-OG1 3.03Å
109K81.9Confident75.6Confident159 Ų159121.4 Ų121.469%0.69168%0.684SS**Hα-helixtrans-73.4-41.6176.7-168.7175.2-179.2177.40112.5T105 T106 Y107T105-K109 PolarHBondContact O-N 3.25Å; T106-K109 PolarHBondContact O-N 3.35Å; Y107-K109 VanDerWaalsContact C-N 3.3Å; Y107-K109 PolarHBondContact O-N 2.79Å
110E80.2Confident75.4Confident158 Ų158122.6 Ų122.674%0.73869%0.688SS**Hα-helixtrans-89.6-34.4-174.5-67.1-178.1-177.500113T106 Y107 T112T106-E110 WeakPolarHBondContact O-CB 3.25Å; T106-E110 WeakPolarHBondContact O-CG 3.25Å; T106-E110 PolarHBondContact O-N 3.2Å; Y107-E110 PolarHBondContact O-N 3.38Å; E110-T112 PolarHBondContact O-N 3.34Å
111Y73.2Confident75.2Confident175 Ų175121.1 Ų121.169%0.68668%0.68SS**  trans-97.454.2-178.3-149.8-96.5000112.1Y107Y107-Y111 HydrophobicContact CE2-CG 4.39Å; Y107-Y111 WeakPolarHBondContact O-CA 3.47Å; Y107-Y111 VanDerWaalsContact O-CB 3.24Å; Y107-Y111 WeakPolarHBondContact O-CB 3.25Å; Y107-Y111 PolarHBondContact O-N 3.06Å
112T74.2Confident74.9Confident79 Ų79118.6 Ų118.649%0.48568%0.681SS.*  trans-77.8126.4166.949.90000108.4E110 K114E110-T112 PolarHBondContact O-N 3.34Å; T112-K114 PolarHBondContact O-N 3.26Å
113G72.5Confident74.4Confident75 Ų75120.7 Ų120.777%0.77368%0.683SS**  trans-56.998.5-18000000110.9P115G113-P115 WeakPolarHBondContact O-CD 3.32Å
114K72.7Confident73.9Confident174 Ų174123.7 Ų123.776%0.75770%0.696SS**  trans-67.1122.4173.9-62.1-77178174.80106.5T112 G116T112-K114 PolarHBondContact O-N 3.26Å; K114-G116 PolarHBondContact O-N 3.24Å
115P72.8Confident73.1Confident126 Ų126125.4 Ų125.482%0.81871%0.71SS**  trans-62.6103.4173.225.5-32.1000107.8G113 Q117G113-P115 WeakPolarHBondContact O-CD 3.32Å; P115-Q117 PolarHBondContact O-N 3.49Å
116G64.2Low72.1Confident64 Ų64128.7 Ų128.766%0.6672%0.724SS**PPolyproline II helixtrans-64.8124.817100000108.3K114 L118K114-G116 PolarHBondContact O-N 3.24Å; G116-L118 PolarHBondContact O-N 2.87Å; G116-L118 VanDerWaalsContact O-N 3.1Å
117Q71.5Confident71.3Confident195 Ų195134.7 Ų134.791%0.91173%0.734SS**PPolyproline II helixtrans-60.3116.9167.5-82.8178.6-13.300107.8P115 A119P115-Q117 PolarHBondContact O-N 3.49Å; Q117-A119 PolarHBondContact O-N 2.97Å; Q117-A119 VanDerWaalsContact O-N 3.15Å
118L70.9Confident70.2Confident171 Ų171137.3 Ų137.390%0.89575%0.749SS**PPolyproline II helixtrans-58.9119.3170.7-69.3172.4000107.7G116 A120G116-L118 PolarHBondContact O-N 2.87Å; G116-L118 VanDerWaalsContact O-N 3.1Å; L118-A120 PolarHBondContact O-N 3.47Å
119A72Confident69.2Low92 Ų92137.2 Ų137.276%0.7676%0.762SS**PPolyproline II helixtrans-57.1124.7171.700000108.5Q117 P121Q117-A119 PolarHBondContact O-N 2.97Å; Q117-A119 VanDerWaalsContact O-N 3.15Å; A119-P121 VanDerWaalsContact O-CD 3.29Å; A119-P121 WeakPolarHBondContact O-CD 3.3Å; A119-P121 VanDerWaalsContact O-N 3.15Å
120A69.3Low68.2Low87 Ų87134.8 Ų134.872%0.71977%0.765SS**PPolyproline II helixtrans-60.1118.6-179.800000109.2L118 V122L118-A120 PolarHBondContact O-N 3.47Å; A120-V122 PolarHBondContact O-N 3.41Å
121P68.7Low67.4Low102 Ų102133.4 Ų133.466%0.66277%0.773SS**PPolyproline II helixtrans-67.8117.4178.125.9-31.9000109.4A119 K123A119-P121 VanDerWaalsContact O-CD 3.29Å; A119-P121 WeakPolarHBondContact O-CD 3.3Å; A119-P121 VanDerWaalsContact O-N 3.15Å; P121-K123 PolarHBondContact O-N 2.94Å
122V70.2Confident67.2Low142 Ų142128.7 Ų128.786%0.86177%0.77SS**  trans-72.891.8168.6-179.20000107.6A120A120-V122 PolarHBondContact O-N 3.41Å
123K63Low66.8Low173 Ų173133.9 Ų133.975%0.75279%0.786SS**  trans-79.1124.6174.2-69.7-176.9179.1-179.80109.4P121P121-K123 PolarHBondContact O-N 2.94Å
124P66.8Low66.8Low106 Ų106139 Ų13969%0.68879%0.787SS**  trans-62.4141.6172.725.1-32.2000110.5I126P124-I126 PolarHBondContact O-N 3.14Å
125T64.7Low66.7Low143 Ų143138 Ų13888%0.87779%0.79SS**  trans-67.194.7178.7-49.50000110.4R127T125-R127 PolarHBondContact O-N 3.45Å
126I59.6Low66.7Low146 Ų146133.9 Ų133.975%0.74977%0.771SS**  trans-77.9119.5169.9-60.1170.6000107.8P124 K128P124-I126 PolarHBondContact O-N 3.14Å; I126-K128 PolarHBondContact O-N 3.01Å
127R64.3Low66.9Low235 Ų235138.5 Ų138.589%0.88778%0.775SS**  trans-63.8118.8172.8-66-176.9177.7-168.4-0.9108.5T125 G129T125-R127 PolarHBondContact O-N 3.45Å; R127-G129 PolarHBondContact O-N 2.93Å; R127-G129 VanDerWaalsContact O-N 3.12Å
128K60Low67.2Low210 Ų210132.1 Ų132.191%0.91376%0.755SS**  trans-62.9110.6175.7-69.8-178.9178.4-179.60109.2I126I126-K128 PolarHBondContact O-N 3.01Å
129G59.8Low67.6Low70 Ų70129.2 Ų129.272%0.72275%0.745SS**  trans-70.6142.8161.300000110.2R127R127-G129 PolarHBondContact O-N 2.93Å; R127-G129 VanDerWaalsContact O-N 3.12Å
130S61.8Low68.1Low107 Ų107132.3 Ų132.375%0.74874%0.738SS**  trans27.1113.4169.1-173.50000118.2A132S130-A132 PolarHBondContact O-N 3.04Å; S130-A132 VanDerWaalsContact O-N 3.12Å; S130-A132 PolarHBondContact OG-N 3.25Å
131S64.2Low68.5Low129 Ų129132.2 Ų132.290%0.90273%0.729SS**  trans-78.526.7172.857.90000114.5
132A68.1Low69Low76 Ų76130.4 Ų130.463%0.62872%0.716SS**  trans-79.2122.3174.900000109.8S130 F134S130-A132 PolarHBondContact O-N 3.04Å; S130-A132 VanDerWaalsContact O-N 3.12Å; S130-A132 PolarHBondContact OG-N 3.25Å; A132-F134 PolarHBondContact O-N 3.5Å
133K66.2Low69.7Low188 Ų188128.2 Ų128.282%0.81770%0.699SS**  trans-65.5116175-60.1-178.7-178.1-178.40108.3D135K133-D135 PolarHBondContact O-N 3.11Å
134F72.3Confident70.5Confident183 Ų183127.7 Ų127.780%0.80369%0.694SS**  trans-87.299.1169.5175.5-103.3000107.8A132 G136A132-F134 PolarHBondContact O-N 3.5Å; F134-G136 PolarHBondContact O-N 2.84Å; F134-G136 VanDerWaalsContact O-N 3.07Å
135D69.5Low71.2Confident154 Ų154129.6 Ų129.682%0.82469%0.687SS**  trans-83.358.5175.8-68.2-23.4000110.4K133K133-D135 PolarHBondContact O-N 3.11Å
136G72.5Confident71.8Confident39 Ų39129 Ų12940%0.40269%0.686SS.*  trans-108.696.1173.900000110.8F134F134-G136 PolarHBondContact O-N 2.84Å; F134-G136 VanDerWaalsContact O-N 3.07Å
137E70Confident72.7Confident161 Ų161130.2 Ų130.275%0.75268%0.681SS**  trans-71.9127.6165.5-65.7-175.1171.700108.7V142E137-V142 HydrophobicContact CB-CG2 4.09Å
138A77.9Confident72.9Confident60 Ų60128.8 Ų128.850%0.49668%0.681SS.*  trans-64.8141.2177.200000109.7Y140 T141 V142A138-Y140 PolarHBondContact O-N 3.38Å; A138-Y140 VanDerWaalsContact O-N 3.11Å; A138-T141 PolarHBondContact N-OG1 2.98Å; A138-T141 PolarHBondContact O-N 3.22Å; A138-T141 PolarHBondContact O-OG1 2.87Å; A138-V142 PolarHBondContact O-N 2.7Å
139T78.9Confident73.2Confident111 Ų111126.4 Ų126.468%0.68168%0.678SS**Hα-helixtrans-51.8-39.2178.736.60000112.2T141 V142 D143T139-T141 VanDerWaalsContact C-N 3.32Å; T139-T141 PolarHBondContact O-N 2.77Å; T139-V142 PolarHBondContact O-N 3.18Å; T139-V142 VanDerWaalsContact O-N 3.1Å; T139-D143 WeakPolarHBondContact O-CB 3.36Å; T139-D143 PolarHBondContact O-N 3.03Å
140Y82.4Confident73.6Confident156 Ų156132 Ų13261%0.61269%0.685SS**Hα-helixtrans-57-39.7175.2-179.3-97.3000113.8A138 V142 Y144A138-Y140 PolarHBondContact O-N 3.38Å; A138-Y140 VanDerWaalsContact O-N 3.11Å; Y140-V142 VanDerWaalsContact C-N 3.32Å; Y140-V142 PolarHBondContact O-N 3.27Å; Y140-Y144 AromaticContact CD2-CD2 3.21Å; Y140-Y144 HydrophobicContact CD2-CD2 3.21Å; Y140-Y144 AromaticContact CD2-CE2 3.6Å; Y140-Y144 HydrophobicContact CD2-CE2 3.6Å; Y140-Y144 AromaticContact CD2-CG 3.99Å; Y140-Y144 HydrophobicContact CD2-CG 3.99Å; Y140-Y144 HydrophobicContact CE2-CD1 4.42Å; Y140-Y144 AromaticContact CE2-CD2 3.39Å; Y140-Y144 HydrophobicContact CE2-CD2 3.39Å; Y140-Y144 AromaticContact CE2-CE2 3.86Å; Y140-Y144 HydrophobicContact CE2-CE2 3.86Å; Y140-Y144 AromaticContact CE2-CG 3.69Å; Y140-Y144 HydrophobicContact CE2-CG 3.69Å; Y140-Y144 HydrophobicContact CG-CD2 4.01Å; Y140-Y144 WeakPolarHBondContact O-CB 3.36Å; Y140-Y144 PolarHBondContact O-N 3.45Å
141T77.8Confident73.1Confident86 Ų86137.9 Ų137.953%0.52869%0.69SS.*Hα-helixtrans-71.1-28.7178.9420000112.9A138 T139A138-T141 PolarHBondContact N-OG1 2.98Å; A138-T141 PolarHBondContact O-N 3.22Å; A138-T141 PolarHBondContact O-OG1 2.87Å; T139-T141 VanDerWaalsContact C-N 3.32Å; T139-T141 PolarHBondContact O-N 2.77Å
142V79.8Confident72.6Confident64 Ų64142.2 Ų142.239%0.38869%0.687SS.*Hα-helixtrans-78.9-42.4176.2179.50000110.9E137 A138 T139 Y140E137-V142 HydrophobicContact CB-CG2 4.09Å; A138-V142 PolarHBondContact O-N 2.7Å; T139-V142 PolarHBondContact O-N 3.18Å; T139-V142 VanDerWaalsContact O-N 3.1Å; Y140-V142 VanDerWaalsContact C-N 3.32Å; Y140-V142 PolarHBondContact O-N 3.27Å
143D84.2Confident72.1Confident95 Ų95146.9 Ų146.951%0.50870%0.696SS.*Hα-helixtrans-78.2-38.6-173-65.3-25.6000112.7T139T139-D143 WeakPolarHBondContact O-CB 3.36Å; T139-D143 PolarHBondContact O-N 3.03Å
144Y80.2Confident71.1Confident163 Ų163144 Ų14464%0.63969%0.689SS**THydrogen-bonded Turntrans-106.350.2-174.3-62.9-88.5000112.9Y140Y140-Y144 AromaticContact CD2-CD2 3.21Å; Y140-Y144 HydrophobicContact CD2-CD2 3.21Å; Y140-Y144 AromaticContact CD2-CE2 3.6Å; Y140-Y144 HydrophobicContact CD2-CE2 3.6Å; Y140-Y144 AromaticContact CD2-CG 3.99Å; Y140-Y144 HydrophobicContact CD2-CG 3.99Å; Y140-Y144 HydrophobicContact CE2-CD1 4.42Å; Y140-Y144 AromaticContact CE2-CD2 3.39Å; Y140-Y144 HydrophobicContact CE2-CD2 3.39Å; Y140-Y144 AromaticContact CE2-CE2 3.86Å; Y140-Y144 HydrophobicContact CE2-CE2 3.86Å; Y140-Y144 AromaticContact CE2-CG 3.69Å; Y140-Y144 HydrophobicContact CE2-CG 3.69Å; Y140-Y144 HydrophobicContact CG-CD2 4.01Å; Y140-Y144 WeakPolarHBondContact O-CB 3.36Å; Y140-Y144 PolarHBondContact O-N 3.45Å
145R80Confident70.1Confident145 Ų145141.5 Ų141.555%0.54769%0.694SS.*  trans-76.6142.516950.6-175.5168.2-176.6-5.8111W147R145-W147 HydrophobicContact CG-CZ2 4.25Å; R145-W147 VanDerWaalsContact O-CD1 3.23Å; R145-W147 PolarHBondContact O-N 3.1Å; R145-W147 PolarHBondContact O-NE1 3.17Å
146P78.9Confident69.1Low131 Ų131139.7 Ų139.785%0.85169%0.689SS**  trans-62108.2174.723-30.5000109.9
147W77.5Confident67.8Low171 Ų171141.1 Ų141.165%0.64870%0.703SS**  trans-72.1133.5178.7-60.696.3000110.2R145 L149R145-W147 HydrophobicContact CG-CZ2 4.25Å; R145-W147 VanDerWaalsContact O-CD1 3.23Å; R145-W147 PolarHBondContact O-N 3.1Å; R145-W147 PolarHBondContact O-NE1 3.17Å; W147-L149 VanDerWaalsContact C-N 3.28Å; W147-L149 PolarHBondContact O-N 3.04Å
148K68.3Low66.7Low205 Ų205144.4 Ų144.489%0.89171%0.709SS**  trans-68.691.1164.1-73.6-178.5179.6177.80107.5E150K148-E150 PolarHBondContact O-N 2.98Å; K148-E150 VanDerWaalsContact O-N 3.12Å
149L67.1Low65.4Low161 Ų161149.9 Ų149.984%0.84372%0.724SS**  trans-60.8113.9170.5-73.5160.8000107.7W147 R151W147-L149 VanDerWaalsContact C-N 3.28Å; W147-L149 PolarHBondContact O-N 3.04Å; L149-R151 PolarHBondContact O-N 3.29Å
150E67.3Low64Low186 Ų186148.7 Ų148.787%0.86972%0.72SS**  trans-53.2128.4166.1-70.5-170164.800107.4K148 R152K148-E150 PolarHBondContact O-N 2.98Å; K148-E150 VanDerWaalsContact O-N 3.12Å; E150-R152 PolarHBondContact O-N 3.05Å
151R51.9Low63Low231 Ų231148.7 Ų148.787%0.87273%0.731SS**  trans-56.4105.6-179.4178.2-176.2-68.5169.6-1.8107.2L149 E153L149-R151 PolarHBondContact O-N 3.29Å; R151-E153 PolarHBondContact O-N 2.72Å
152R54.7Low61.9Low220 Ų220153 Ų15383%0.8374%0.738SS**  trans-56.8111.3170.9-168.5173.8-173.3161.51.5106.5E150 L154E150-R152 PolarHBondContact O-N 3.05Å; R152-L154 PolarHBondContact O-N 2.83Å
153E55.9Low61.2Low175 Ų175158.3 Ų158.382%0.81876%0.758SS**  trans-59.897.7167-70.2-174166.600106.2R151 S155R151-E153 PolarHBondContact O-N 2.72Å; E153-S155 PolarHBondContact O-N 2.79Å
154L47Very low60.6Low127 Ų127161 Ų16167%0.66577%0.765SS**  trans-55.3117.7162.8-66.9169.1000104.5R152 T156 G157R152-L154 PolarHBondContact O-N 2.83Å; L154-T156 PolarHBondContact O-N 3.17Å; L154-G157 PolarHBondContact O-N 3.06Å
155S50.7Low60.2Low130 Ų130158 Ų15891%0.90977%0.765SS**THydrogen-bonded Turntrans-60.112.3167.9-51.20000113E153E153-S155 PolarHBondContact O-N 2.79Å
156T48.6Very low60Low117 Ų117157.4 Ų157.472%0.71877%0.774SS**THydrogen-bonded Turntrans-104.48.4174.2-16.20000112.7L154L154-T156 PolarHBondContact O-N 3.17Å
157G45.7Very low59.9Low68 Ų68158.7 Ų158.770%0.70177%0.772SS**  trans-105.2-5.1179.600000116.1L154L154-G157 PolarHBondContact O-N 3.06Å
158R45.9Very low60Low230 Ų230155.9 Ų155.987%0.86878%0.776SS**SBendtrans-80.4116.6162.9-166.8-175.5-113-132.51.8105.6S160R158-S160 PolarHBondContact O-N 3.36Å
159E49.7Very low60.4Low176 Ų176155.3 Ų155.382%0.82277%0.774SS**  trans-2495.1179.5-77.8161.3149.900111.3N161E159-N161 PolarHBondContact O-N 3.26Å
160S50.2Low60.8Low86 Ų86153 Ų15360%0.60177%0.771SS**  trans-63.5114.4168.5-175.30000103.6R158 W162R158-S160 PolarHBondContact O-N 3.36Å; S160-W162 PolarHBondContact O-N 2.98Å
161N60.6Low61.4Low155 Ų155146 Ų14683%0.82975%0.749SS**  trans-65.246.1171.7-66-43.9000110.4E159 Q163E159-N161 PolarHBondContact O-N 3.26Å; N161-Q163 PolarHBondContact O-N 2.85Å
162W55.8Low62.7Low177 Ų177140.1 Ų140.167%0.6774%0.739SS**  trans-85.498.7179.3-150.6105.1000106.7S160 K164 P165S160-W162 PolarHBondContact O-N 2.98Å; W162-K164 VanDerWaalsContact CZ3-CA 3.46Å; W162-K164 PolarHBondContact O-N 2.87Å; W162-P165 HydrophobicContact CH2-CG 3.64Å; W162-P165 VanDerWaalsContact CZ3-CD 3.43Å; W162-P165 HydrophobicContact CZ3-CG 3.84Å
163Q66Low64.1Low176 Ų176133.5 Ų133.582%0.82272%0.724SS**  trans-73110.1172.4-71.1-155.5-30.200109.5N161N161-Q163 PolarHBondContact O-N 2.85Å
164K71.2Confident65.4Low151 Ų151130.1 Ų130.166%0.65772%0.716SS**  trans-41.3129.9167.961.2-179.6-176.6178.40109.1W162 N166W162-K164 VanDerWaalsContact CZ3-CA 3.46Å; W162-K164 PolarHBondContact O-N 2.87Å; K164-N166 PolarHBondContact O-N 3.02Å
165P71.9Confident67Low99 Ų99132 Ų13264%0.64372%0.715SS**  trans-69.3111.2-177.8-9.430.2000105.8W162 L167W162-P165 HydrophobicContact CH2-CG 3.64Å; W162-P165 VanDerWaalsContact CZ3-CD 3.43Å; W162-P165 HydrophobicContact CZ3-CG 3.84Å; P165-L167 PolarHBondContact O-N 2.77Å
166N74.7Confident68.6Low134 Ų134129.1 Ų129.172%0.71769%0.693SS**  trans-85.716.5179.1-97.5-11.1000111.8K164 P168K164-N166 PolarHBondContact O-N 3.02Å; N166-P168 VanDerWaalsContact O-CD 3.28Å; N166-P168 WeakPolarHBondContact O-CD 3.37Å
167L77.5Confident70.2Confident157 Ų157125.9 Ų125.982%0.82268%0.677SS**  trans-75.4117173.3-92.689.8000109.2P165P165-L167 PolarHBondContact O-N 2.77Å
168P78.6Confident72.1Confident112 Ų112127.6 Ų127.673%0.72767%0.671SS**  trans-62.6149.2170.327.2-32.5000109.9N166 S170N166-P168 VanDerWaalsContact O-CD 3.28Å; N166-P168 WeakPolarHBondContact O-CD 3.37Å; P168-S170 PolarHBondContact O-N 3.29Å; P168-S170 VanDerWaalsContact O-N 3.11Å
169F77.8Confident73.7Confident194 Ų194124.8 Ų124.885%0.85166%0.661SS**  trans-59.5113.7177175.9-104.4000110.5G171F169-G171 VanDerWaalsContact C-N 3.35Å; F169-G171 PolarHBondContact O-N 2.92Å
170S74.6Confident75.1Confident112 Ų112120.2 Ų120.278%0.78365%0.645SS**  trans-95.831.1-177.672.20000113.2P168 T172P168-S170 PolarHBondContact O-N 3.29Å; P168-S170 VanDerWaalsContact O-N 3.11Å; S170-T172 PolarHBondContact O-N 2.59Å
171G79.9Confident76.4Confident40 Ų40120.4 Ų120.441%0.41265%0.652SS.*  trans-82.494.2177.800000111.1F169 P173F169-G171 VanDerWaalsContact C-N 3.35Å; F169-G171 PolarHBondContact O-N 2.92Å; G171-P173 WeakPolarHBondContact O-CD 3.35Å
172T80.6Confident77Confident106 Ų106122 Ų12265%0.6565%0.648SS**  trans-77120.3164.440.20000108.8S170S170-T172 PolarHBondContact O-N 2.59Å
173P83Confident77.9Confident81 Ų81121.4 Ų121.453%0.52666%0.658SS.*  trans-60.5145.1175.921.9-30000110.2G171 Y175 T176 A177G171-P173 WeakPolarHBondContact O-CD 3.35Å; P173-Y175 PolarHBondContact O-N 2.96Å; P173-T176 WeakPolarHBondContact CD-OG1 3.45Å; P173-T176 HydrophobicContact CG-CG2 3.93Å; P173-T176 WeakPolarHBondContact CG-OG1 3.36Å; P173-T176 PolarHBondContact O-N 3.4Å; P173-T176 PolarHBondContact O-OG1 3.32Å; P173-A177 PolarHBondContact O-N 2.91Å
174T82.7Confident78Confident105 Ų105117.2 Ų117.264%0.64465%0.653SS**Hα-helixtrans-49.4-40.7-176.32.70000111.8T176 A177 D178T174-T176 PolarHBondContact O-N 2.77Å; T174-A177 PolarHBondContact O-N 3.03Å; T174-A177 VanDerWaalsContact O-N 3.09Å; T174-D178 VanDerWaalsContact O-CB 3.29Å; T174-D178 WeakPolarHBondContact O-CB 3.12Å; T174-D178 PolarHBondContact O-N 3.07Å
175Y82.1Confident78.1Confident165 Ų165119 Ų11965%0.64766%0.661SS**Hα-helixtrans-55.6-44.2175-178.1-99.5000113.9P173 A177 Y179P173-Y175 PolarHBondContact O-N 2.96Å; Y175-A177 VanDerWaalsContact C-N 3.35Å; Y175-Y179 AromaticContact CD2-CD2 3.47Å; Y175-Y179 HydrophobicContact CD2-CD2 3.47Å; Y175-Y179 VanDerWaalsContact CD2-CD2 3.47Å; Y175-Y179 AromaticContact CD2-CE2 3.78Å; Y175-Y179 HydrophobicContact CD2-CE2 3.78Å; Y175-Y179 HydrophobicContact CD2-CG 4.24Å; Y175-Y179 AromaticContact CE2-CD2 3.67Å; Y175-Y179 HydrophobicContact CE2-CD2 3.67Å; Y175-Y179 HydrophobicContact CE2-CE2 4.01Å; Y175-Y179 HydrophobicContact CE2-CG 4.02Å; Y175-Y179 HydrophobicContact CG-CD2 4.21Å; Y175-Y179 WeakPolarHBondContact O-CB 3.37Å; Y175-Y179 WeakPolarHBondContact O-CD2 3.49Å; Y175-Y179 PolarHBondContact O-N 3.24Å
176T83.9Confident78.2Confident71 Ų71119.7 Ų119.744%0.43667%0.666SS.*Hα-helixtrans-74.4-25178540000113.5P173 T174 V180P173-T176 WeakPolarHBondContact CD-OG1 3.45Å; P173-T176 HydrophobicContact CG-CG2 3.93Å; P173-T176 WeakPolarHBondContact CG-OG1 3.36Å; P173-T176 PolarHBondContact O-N 3.4Å; P173-T176 PolarHBondContact O-OG1 3.32Å; T174-T176 PolarHBondContact O-N 2.77Å; T176-V180 WeakPolarHBondContact O-CG2 3.49Å
177A82.5Confident77.8Confident48 Ų48119.4 Ų119.440%0.39767%0.671SS.*Hα-helixtrans-78.7-37.7175.300000111.8P173 T174 Y175P173-A177 PolarHBondContact O-N 2.91Å; T174-A177 PolarHBondContact O-N 3.03Å; T174-A177 VanDerWaalsContact O-N 3.09Å; Y175-A177 VanDerWaalsContact C-N 3.35Å
178D84.3Confident77.5Confident104 Ų104118.3 Ų118.356%0.55667%0.67SS**Hα-helixtrans-86.3-32.1-173.8-62-24.6000112.5T174T174-D178 VanDerWaalsContact O-CB 3.29Å; T174-D178 WeakPolarHBondContact O-CB 3.12Å; T174-D178 PolarHBondContact O-N 3.07Å
179Y80Confident77.4Confident172 Ų172116.8 Ų116.868%0.67566%0.663SS**  trans-107.258.5-176-66-91000112.7Y175Y175-Y179 AromaticContact CD2-CD2 3.47Å; Y175-Y179 HydrophobicContact CD2-CD2 3.47Å; Y175-Y179 VanDerWaalsContact CD2-CD2 3.47Å; Y175-Y179 AromaticContact CD2-CE2 3.78Å; Y175-Y179 HydrophobicContact CD2-CE2 3.78Å; Y175-Y179 HydrophobicContact CD2-CG 4.24Å; Y175-Y179 AromaticContact CE2-CD2 3.67Å; Y175-Y179 HydrophobicContact CE2-CD2 3.67Å; Y175-Y179 HydrophobicContact CE2-CE2 4.01Å; Y175-Y179 HydrophobicContact CE2-CG 4.02Å; Y175-Y179 HydrophobicContact CG-CD2 4.21Å; Y175-Y179 WeakPolarHBondContact O-CB 3.37Å; Y175-Y179 WeakPolarHBondContact O-CD2 3.49Å; Y175-Y179 PolarHBondContact O-N 3.24Å
180V79.1Confident77Confident79 Ų79114 Ų11448%0.47967%0.665SS.*  trans-89137.9171.3-172.90000109.5T176 Y182T176-V180 WeakPolarHBondContact O-CG2 3.49Å; V180-Y182 WeakPolarHBondContact O-CD2 3.38Å; V180-Y182 PolarHBondContact O-N 2.72Å
181A76.6Confident76.9Confident91 Ų91116.4 Ų116.475%0.75266%0.662SS**  trans-65.695.5176.600000110.4N183A181-N183 PolarHBondContact O-N 3.29Å
182Y73.9Confident76.2Confident189 Ų189120.2 Ų120.274%0.74168%0.679SS**  trans-73.7115.7170.1-66.4-79.2000108.6V180 A184V180-Y182 WeakPolarHBondContact O-CD2 3.38Å; V180-Y182 PolarHBondContact O-N 2.72Å; Y182-A184 PolarHBondContact O-N 2.95Å
183N75.2Confident75.2Confident163 Ų163121.3 Ų121.387%0.87269%0.686SS**  trans-68.576.1169.2-70.9-41.6000109.3A181 K185A181-N183 PolarHBondContact O-N 3.29Å; N183-K185 PolarHBondContact O-N 3.43Å
184A68.6Low73.9Confident89 Ų89124.6 Ų124.674%0.73669%0.693SS**PPolyproline II helixtrans-67.3119171.900000108.1Y182Y182-A184 PolarHBondContact O-N 2.95Å
185K72.6Confident72.6Confident189 Ų189124.1 Ų124.182%0.82269%0.693SS**PPolyproline II helixtrans-57.8139171.8-64.7-177.4-178.3178.70108.2N183N183-K185 PolarHBondContact O-N 3.43Å
186P73.5Confident71.2Confident113 Ų113123.8 Ų123.873%0.73470%0.696SS**PPolyproline II helixtrans-54.2136.5178.219.4-29.4000109.7V188P186-V188 PolarHBondContact O-N 2.99Å
187P66.6Low70.2Confident128 Ų128127.1 Ų127.183%0.83171%0.71SS**PPolyproline II helixtrans-60.6126.7-176.322.5-31.5000110S189P187-S189 PolarHBondContact O-N 2.88Å
188V71Confident68.8Low133 Ų133132 Ų13281%0.80673%0.725SS**PPolyproline II helixtrans-67.5124.4174-171.30000107.2P186 C190P186-V188 PolarHBondContact O-N 2.99Å; V188-C190 PolarHBondContact O-N 3.12Å
189S77.7Confident67.7Low81 Ų81133.3 Ų133.357%0.56673%0.731SS**PPolyproline II helixtrans-60.3125.2-176.4100.20000109.8P187 K191P187-S189 PolarHBondContact O-N 2.88Å; S189-K191 PolarHBondContact O-N 3.15Å; S189-K191 VanDerWaalsContact O-N 3.13Å
190C69.5Low67.2Low134 Ų134134 Ų13491%0.90574%0.741SS**  trans-7510.7172.4-48.50000112.6V188V188-C190 PolarHBondContact O-N 3.12Å
191K70.6Confident66.6Low164 Ų164135.5 Ų135.571%0.71375%0.75SS**SBendtrans-70.8127.5173.7-66.2-177.3177.3-179.80107.4S189 V193S189-K191 PolarHBondContact O-N 3.15Å; S189-K191 VanDerWaalsContact O-N 3.13Å; K191-V193 PolarHBondContact O-N 2.89Å; K191-V193 VanDerWaalsContact O-N 3.17Å
192P65.2Low66.1Low120 Ų120137.3 Ų137.378%0.77975%0.754SS**  trans-54.3126.4177.220.8-30.1000108.6H194P192-H194 PolarHBondContact O-N 3.28Å
193V59.9Low65.8Low129 Ų129136.5 Ų136.578%0.78276%0.755SS**  trans-60.1113.7178.4-176.70000106.5K191 C195K191-V193 PolarHBondContact O-N 2.89Å; K191-V193 VanDerWaalsContact O-N 3.17Å; V193-C195 PolarHBondContact O-N 3.41Å
194H56.7Low65.6Low149 Ų149133.1 Ų133.169%0.6974%0.744SS**  trans-71.284.7175.5-172.1-70.2000107.9P192 F196P192-H194 PolarHBondContact O-N 3.28Å; H194-F196 VanDerWaalsContact C-N 3.3Å; H194-F196 AromaticContact CE1-CD2 3.43Å; H194-F196 VanDerWaalsContact CE1-CD2 3.43Å; H194-F196 WeakPolarHBondContact CE1-CD2 3.47Å; H194-F196 AromaticContact ND1-CD2 3.91Å; H194-F196 PolarHBondContact O-N 3.24Å
195C55.6Low65.6Low95 Ų95133.6 Ų133.664%0.64273%0.734SS**  trans-66.296.2165.1-61.10000106.4V193 L197V193-C195 PolarHBondContact O-N 3.41Å; C195-L197 PolarHBondContact O-N 3.07Å
196F51.2Low65.5Low158 Ų158127.6 Ų127.669%0.69372%0.717SS**  trans-66.292171.5-158.4-83000106.8H194 E198H194-F196 VanDerWaalsContact C-N 3.3Å; H194-F196 AromaticContact CE1-CD2 3.43Å; H194-F196 VanDerWaalsContact CE1-CD2 3.43Å; H194-F196 WeakPolarHBondContact CE1-CD2 3.47Å; H194-F196 AromaticContact ND1-CD2 3.91Å; H194-F196 PolarHBondContact O-N 3.24Å; F196-E198 VanDerWaalsContact C-N 3.34Å; F196-E198 HydrophobicContact CD1-CB 4.05Å; F196-E198 HydrophobicContact CE1-CB 4.11Å; F196-E198 HydrophobicContact CE1-CG 4.26Å; F196-E198 PolarHBondContact O-N 3.23Å; F196-E198 VanDerWaalsContact O-N 3.15Å
197L63.4Low65.5Low142 Ų142126 Ų12674%0.74371%0.705SS**  trans-72.2100.6160.4-106.580.8000105.5C195 N199C195-L197 PolarHBondContact O-N 3.07Å; L197-N199 PolarHBondContact O-N 3.34Å
198E54.3Low66.1Low151 Ų151126.2 Ų126.271%0.70670%0.699SS**  trans-64.2103.1172.1-170163.1-157.400107.9F196 Q200F196-E198 VanDerWaalsContact C-N 3.34Å; F196-E198 HydrophobicContact CD1-CB 4.05Å; F196-E198 HydrophobicContact CE1-CB 4.11Å; F196-E198 HydrophobicContact CE1-CG 4.26Å; F196-E198 PolarHBondContact O-N 3.23Å; F196-E198 VanDerWaalsContact O-N 3.15Å; E198-Q200 PolarHBondContact O-N 3.29Å
199N60.7Low66.5Low130 Ų130127.2 Ų127.270%0.69569%0.689SS**  trans-65105170.9-76.4-28.8000107.3L197 T201L197-N199 PolarHBondContact O-N 3.34Å; N199-T201 PolarHBondContact O-N 2.76Å
200Q69.5Low66.4Low187 Ų187130.4 Ų130.487%0.87469%0.689SS**  trans-68.610.2176.9-62.1-166.30.400113.7E198 P202E198-Q200 PolarHBondContact O-N 3.29Å; Q200-P202 WeakPolarHBondContact O-CD 3.5Å
201T65.8Low66.7Low110 Ų110127.6 Ų127.668%0.67567%0.665SS**SBendtrans-97.1113.1178.4340000108.9N199 F203N199-T201 PolarHBondContact O-N 2.76Å; T201-F203 PolarHBondContact O-N 3.38Å
202P67.5Low67.1Low129 Ų129123.9 Ų123.984%0.83866%0.659SS**  trans-62123-179.820.9-27.1000109.6Q200 S204Q200-P202 WeakPolarHBondContact O-CD 3.5Å; P202-S204 PolarHBondContact O-N 3.01Å
203F66.4Low67.5Low172 Ų172126 Ų12675%0.75465%0.653SS**  trans-71125.3175.8-178.8-111.2000109.4T201 D205T201-F203 PolarHBondContact O-N 3.38Å; F203-D205 VanDerWaalsContact C-N 3.26Å; F203-D205 HydrophobicContact CD1-CB 3.91Å; F203-D205 HydrophobicContact CE1-CB 4.25Å; F203-D205 VanDerWaalsContact CE1-OD1 3.31Å; F203-D205 WeakPolarHBondContact CE1-OD1 3.37Å; F203-D205 PolarHBondContact O-N 3.16Å
204S72.2Confident68Low93 Ų93128.2 Ų128.265%0.6565%0.648SS**  trans-70.383173.3161.30000109.2P202 S206P202-S204 PolarHBondContact O-N 3.01Å; S204-S206 PolarHBondContact O-N 2.87Å
205D68.3Low68.5Low98 Ų98128 Ų12852%0.52466%0.657SS.*  trans-80.911.6-175.2-155.639.3000113.7F203 R210F203-D205 VanDerWaalsContact C-N 3.26Å; F203-D205 HydrophobicContact CD1-CB 3.91Å; F203-D205 HydrophobicContact CE1-CB 4.25Å; F203-D205 VanDerWaalsContact CE1-OD1 3.31Å; F203-D205 WeakPolarHBondContact CE1-OD1 3.37Å; F203-D205 PolarHBondContact O-N 3.16Å; D205-R210 PolarHBondContact O-NH1 3.24Å; D205-R210 IonicContact OD2-NH1 3.16Å; D205-R210 PolarHBondContact OD2-NH1 2.89Å
206S69.7Low68.7Low64 Ų64130.6 Ų130.645%0.44866%0.663SS.*  trans-96.394.9175.162.30000110.2S204S204-S206 PolarHBondContact O-N 2.87Å
207T74.6Confident69.1Low80 Ų80129.9 Ų129.949%0.49167%0.667SS.*  trans-78.8143.7162.653.10000109.4Y209 R210 D211T207-Y209 PolarHBondContact O-N 2.94Å; T207-Y209 VanDerWaalsContact O-N 3.12Å; T207-R210 WeakPolarHBondContact O-CB 3.26Å; T207-R210 PolarHBondContact O-N 2.73Å; T207-D211 PolarHBondContact O-N 3.2Å; T207-D211 VanDerWaalsContact O-N 3.15Å
208D78.5Confident68.9Low132 Ų132129.9 Ų129.971%0.70667%0.667SS**Hα-helixtrans-44.1-40.8172.553.5-7.3000112.8D211 S212D208-D211 PolarHBondContact O-N 3.19Å; D208-S212 VanDerWaalsContact O-CB 3.25Å; D208-S212 WeakPolarHBondContact O-CB 3.36Å; D208-S212 PolarHBondContact O-N 3.32Å; D208-S212 PolarHBondContact O-OG 2.89Å
209Y79.1Confident69Low154 Ų154127.1 Ų127.160%0.60466%0.664SS**Hα-helixtrans-60.7-45.1175.1-174.5-94.9000113T207 D211 S212 Y213T207-Y209 PolarHBondContact O-N 2.94Å; T207-Y209 VanDerWaalsContact O-N 3.12Å; Y209-D211 VanDerWaalsContact C-N 3.3Å; Y209-D211 PolarHBondContact O-N 3.36Å; Y209-S212 PolarHBondContact O-N 3.48Å; Y209-Y213 HydrophobicContact CD1-CD2 4.46Å; Y209-Y213 AromaticContact CD2-CD2 3.45Å; Y209-Y213 HydrophobicContact CD2-CD2 3.45Å; Y209-Y213 VanDerWaalsContact CD2-CD2 3.45Å; Y209-Y213 AromaticContact CD2-CE2 3.57Å; Y209-Y213 HydrophobicContact CD2-CE2 3.57Å; Y209-Y213 HydrophobicContact CE1-CD2 4.44Å; Y209-Y213 AromaticContact CE2-CD2 3.43Å; Y209-Y213 HydrophobicContact CE2-CD2 3.43Å; Y209-Y213 VanDerWaalsContact CE2-CD2 3.43Å; Y209-Y213 AromaticContact CE2-CE2 3.56Å; Y209-Y213 HydrophobicContact CE2-CE2 3.56Å; Y209-Y213 HydrophobicContact CE2-CG 4.23Å; Y209-Y213 AromaticContact CG-CD2 4Å; Y209-Y213 HydrophobicContact CG-CD2 4Å; Y209-Y213 HydrophobicContact CG-CE2 4.48Å; Y209-Y213 AromaticContact CZ-CD2 3.95Å; Y209-Y213 WeakPolarHBondContact O-CD2 3.25Å; Y209-Y213 PolarHBondContact O-N 3.03Å
210R75.4Confident68.7Low148 Ų148130 Ų13056%0.55867%0.673SS**Hα-helixtrans-69.2-30.7-178.2-156.8-174.7177.9-176.42.1112D205 T207D205-R210 PolarHBondContact O-NH1 3.24Å; D205-R210 IonicContact OD2-NH1 3.16Å; D205-R210 PolarHBondContact OD2-NH1 2.89Å; T207-R210 WeakPolarHBondContact O-CB 3.26Å; T207-R210 PolarHBondContact O-N 2.73Å
211D76.2Confident67.6Low75 Ų75131.6 Ų131.640%0.40167%0.672SS.*Hα-helixtrans-79.4-31.4173.7-77.5-28.7000113.3T207 D208 Y209 R214T207-D211 PolarHBondContact O-N 3.2Å; T207-D211 VanDerWaalsContact O-N 3.15Å; D208-D211 PolarHBondContact O-N 3.19Å; Y209-D211 VanDerWaalsContact C-N 3.3Å; Y209-D211 PolarHBondContact O-N 3.36Å; D211-R214 IonicContact OD1-CZ 3.61Å; D211-R214 IonicContact OD1-NE 2.69Å; D211-R214 IonicContact OD1-NH2 3.58Å; D211-R214 PolarHBondContact OD1-NH2 3.04Å
212S78.4Confident66.8Low85 Ų85130.3 Ų130.359%0.59467%0.672SS**Hα-helixtrans-77.2-34.6179.9-55.60000113.5D208 Y209D208-S212 VanDerWaalsContact O-CB 3.25Å; D208-S212 WeakPolarHBondContact O-CB 3.36Å; D208-S212 PolarHBondContact O-N 3.32Å; D208-S212 PolarHBondContact O-OG 2.89Å; Y209-S212 PolarHBondContact O-N 3.48Å
213Y74.9Confident66.1Low166 Ų166135.2 Ų135.265%0.65167%0.674SS**  trans-114.856.5-172-64.2-80.7000112Y209Y209-Y213 HydrophobicContact CD1-CD2 4.46Å; Y209-Y213 AromaticContact CD2-CD2 3.45Å; Y209-Y213 HydrophobicContact CD2-CD2 3.45Å; Y209-Y213 VanDerWaalsContact CD2-CD2 3.45Å; Y209-Y213 AromaticContact CD2-CE2 3.57Å; Y209-Y213 HydrophobicContact CD2-CE2 3.57Å; Y209-Y213 HydrophobicContact CE1-CD2 4.44Å; Y209-Y213 AromaticContact CE2-CD2 3.43Å; Y209-Y213 HydrophobicContact CE2-CD2 3.43Å; Y209-Y213 VanDerWaalsContact CE2-CD2 3.43Å; Y209-Y213 AromaticContact CE2-CE2 3.56Å; Y209-Y213 HydrophobicContact CE2-CE2 3.56Å; Y209-Y213 HydrophobicContact CE2-CG 4.23Å; Y209-Y213 AromaticContact CG-CD2 4Å; Y209-Y213 HydrophobicContact CG-CD2 4Å; Y209-Y213 HydrophobicContact CG-CE2 4.48Å; Y209-Y213 AromaticContact CZ-CD2 3.95Å; Y209-Y213 WeakPolarHBondContact O-CD2 3.25Å; Y209-Y213 PolarHBondContact O-N 3.03Å
214R70.9Confident65.4Low175 Ų175132.3 Ų132.366%0.6667%0.672SS**  trans-76.5134.6170.8-65.1-179.3179.6-138.60.9109.7D211 L216D211-R214 IonicContact OD1-CZ 3.61Å; D211-R214 IonicContact OD1-NE 2.69Å; D211-R214 IonicContact OD1-NH2 3.58Å; D211-R214 PolarHBondContact OD1-NH2 3.04Å; R214-L216 PolarHBondContact O-N 3.26Å
215T65.3Low64.5Low144 Ų144135 Ų13588%0.88368%0.678SS**  trans-60.9104.2171.841.60000109.1D217T215-D217 PolarHBondContact O-N 3.32Å
216L60.5Low63.5Low149 Ų149139 Ų13978%0.7869%0.691SS**  trans-63.2124.6170-82.8147.5000108.3R214 L218R214-L216 PolarHBondContact O-N 3.26Å; L216-L218 PolarHBondContact O-N 2.84Å
217D59.6Low62.5Low144 Ų144142 Ų14277%0.7770%0.702SS**  trans-66.698.4171.2-140.8-25000107.6T215 S219T215-D217 PolarHBondContact O-N 3.32Å; D217-S219 VanDerWaalsContact CG-OG 3.3Å; D217-S219 PolarHBondContact O-N 3.19Å; D217-S219 VanDerWaalsContact O-N 3.16Å; D217-S219 PolarHBondContact OD1-OG 2.86Å
218L58.6Low61.2Low141 Ų141143.6 Ų143.674%0.73871%0.711SS**G310 helixtrans-77.411.1-177-74168.1000112.6L216 E220L216-L218 PolarHBondContact O-N 2.84Å; L218-E220 PolarHBondContact O-N 3.45Å
219S56.8Low59.7Low93 Ų93143.9 Ų143.965%0.6571%0.708SS**G310 helixtrans-69.8-9.6-174.239.90000114.5D217D217-S219 VanDerWaalsContact CG-OG 3.3Å; D217-S219 PolarHBondContact O-N 3.19Å; D217-S219 VanDerWaalsContact O-N 3.16Å; D217-S219 PolarHBondContact OD1-OG 2.86Å
220E55.8Low58.3Low190 Ų190145 Ų14589%0.88872%0.718SS**G310 helixtrans-118.1-4.3179.7-70.5-171.7158.500115.9L218L218-E220 PolarHBondContact O-N 3.45Å
221R45.8Very low57Low222 Ų222142.5 Ų142.584%0.83872%0.72SS**SBendtrans-99.4105.6-176.8-146.1171.8-160.4160.54.6112.8
222A47.8Very low56.1Low83 Ų83147.7 Ų147.769%0.68674%0.741SS**  trans68.589160.700000116.1
223R53Low55Low231 Ų231152.3 Ų152.387%0.87275%0.751SS**  trans-45.1128.9149.1-62178.9-178.1-172.70.3107.3I225R223-I225 PolarHBondContact O-N 3.14Å
224P53Low54.5Low112 Ų112150.3 Ų150.373%0.72776%0.755SS**  trans-54.7121.6175.420.1-29000107.3K226P224-K226 PolarHBondContact O-N 2.91Å
225I52.6Low54.3Low149 Ų149148.5 Ų148.576%0.76476%0.764SS**  trans-56.7100.4168.9-62.7169.6000104.2R223 N227R223-I225 PolarHBondContact O-N 3.14Å; I225-N227 VanDerWaalsContact C-N 3.26Å; I225-N227 PolarHBondContact O-N 2.8Å
226K47.2Very low54.6Low183 Ų183147 Ų14780%0.79675%0.754SS**  trans-61.8100.2167.8-75.8-177.4177.9-179.90104.1P224 V228P224-K226 PolarHBondContact O-N 2.91Å; K226-V228 VanDerWaalsContact C-N 3.28Å; K226-V228 PolarHBondContact O-N 3Å
227N48.6Very low55.1Low126 Ų126145.3 Ų145.367%0.67475%0.752SS**  trans-55.4106.3161.7-74.2-24.4000104.9I225 E229I225-N227 VanDerWaalsContact C-N 3.26Å; I225-N227 PolarHBondContact O-N 2.8Å; N227-E229 HydrophobicContact CB-CG 4.17Å; N227-E229 PolarHBondContact O-N 2.86Å
228V47.7Very low55.7Low113 Ų113145.4 Ų145.469%0.68575%0.75SS**  trans-71.270.7168.6-177.50000105.1K226 H230K226-V228 VanDerWaalsContact C-N 3.28Å; K226-V228 PolarHBondContact O-N 3Å; V228-H230 PolarHBondContact O-N 3Å; V228-H230 VanDerWaalsContact O-N 3.17Å; V228-H230 PolarHBondContact O-ND1 3.17Å
229E46.4Very low56.5Low139 Ų139148 Ų14865%0.6576%0.758SS**  trans-66.1114.6166-72-176.4-179.700105.6N227 T231N227-E229 HydrophobicContact CB-CG 4.17Å; N227-E229 PolarHBondContact O-N 2.86Å; E229-T231 HydrophobicContact CB-CG2 4.19Å; E229-T231 PolarHBondContact O-N 3.13Å
230H50.2Low57.4Low177 Ų177150.1 Ų150.182%0.81976%0.757SS**  trans-67.766173.2-65.167.1000108.4V228 H232V228-H230 PolarHBondContact O-N 3Å; V228-H230 VanDerWaalsContact O-N 3.17Å; V228-H230 PolarHBondContact O-ND1 3.17Å; H230-H232 PolarHBondContact O-N 3.2Å
231T47.6Very low58.7Low95 Ų95146 Ų14658%0.58374%0.741SS**  trans-8897.8170.251.50000106.2E229 K233E229-T231 HydrophobicContact CB-CG2 4.19Å; E229-T231 PolarHBondContact O-N 3.13Å; T231-K233 VanDerWaalsContact C-N 3.29Å; T231-K233 PolarHBondContact O-N 2.82Å
232H58Low60.5Low185 Ų185138.2 Ų138.286%0.85672%0.721SS**  trans-54.9100.5162.4-102.7-89.7000107H230 V234H230-H232 PolarHBondContact O-N 3.2Å; H232-V234 PolarHBondContact O-N 3.01Å
233K55.2Low62.4Low182 Ų182139.7 Ų139.779%0.79172%0.721SS**  trans-60112170.3-68-175.7179.5-176.50106.2T231 T235T231-K233 VanDerWaalsContact C-N 3.29Å; T231-K233 PolarHBondContact O-N 2.82Å; K233-T235 PolarHBondContact O-N 2.96Å
234V63.5Low64Low124 Ų124134.3 Ų134.375%0.75271%0.706SS**  trans-59.3113.4174.5175.70000107.2H232 V236H232-V234 PolarHBondContact O-N 3.01Å; V234-V236 HydrophobicContact CG1-CB 4.21Å; V234-V236 HydrophobicContact CG1-CG2 4.47Å; V234-V236 PolarHBondContact O-N 2.85Å
235T66.2Low65.6Low136 Ų136134.2 Ų134.283%0.83470%0.697SS**  trans-71.8-9.8-175.4-47.80000112.9K233 P237K233-T235 PolarHBondContact O-N 2.96Å; T235-P237 VanDerWaalsContact O-CD 3.26Å; T235-P237 WeakPolarHBondContact O-CD 3.43Å
236V71.8Confident67Low113 Ų113133.1 Ų133.169%0.68569%0.688SS**SBendtrans-80.2114.7178.9-1740000108.7V234 M238V234-V236 HydrophobicContact CG1-CB 4.21Å; V234-V236 HydrophobicContact CG1-CG2 4.47Å; V234-V236 PolarHBondContact O-N 2.85Å; V236-M238 PolarHBondContact O-N 2.94Å
237P71.9Confident69Low114 Ų114128.8 Ų128.874%0.7467%0.674SS**  trans-63.1120.9174.225.1-29.7000108.5T235T235-P237 VanDerWaalsContact O-CD 3.26Å; T235-P237 WeakPolarHBondContact O-CD 3.43Å
238M71.4Confident70.7Confident145 Ų145131 Ų13171%0.71467%0.674SS**  trans-65.4136.3171176.6-176.4-140.200108.2V236 H240V236-M238 PolarHBondContact O-N 2.94Å; M238-H240 WeakPolarHBondContact CB-ND1 3.43Å; M238-H240 HydrophobicContact CG-CB 4.17Å; M238-H240 PolarHBondContact O-CE1 3.08Å; M238-H240 PolarHBondContact O-N 2.75Å; M238-H240 PolarHBondContact O-ND1 3.01Å; M238-H240 HydrophobicContact SD-CB 4.18Å
239E76.2Confident72.4Confident196 Ų196132.6 Ų132.692%0.91667%0.669SS**  trans-82.790165-77.9-179.2159.100108.1
240H75.8Confident73.8Confident137 Ų137136.1 Ų136.163%0.63468%0.676SS**  trans-96.40.2-176.328.1-81.9000114M238 S242M238-H240 WeakPolarHBondContact CB-ND1 3.43Å; M238-H240 HydrophobicContact CG-CB 4.17Å; M238-H240 PolarHBondContact O-CE1 3.08Å; M238-H240 PolarHBondContact O-N 2.75Å; M238-H240 PolarHBondContact O-ND1 3.01Å; M238-H240 HydrophobicContact SD-CB 4.18Å; H240-S242 PolarHBondContact O-N 2.95Å
241L82.7Confident75.4Confident103 Ų103134.4 Ų134.454%0.53967%0.666SS.*  trans-86111.4177.3-65.2176.8000109.8M245L241-M245 HydrophobicContact CD2-CB 4.16Å; L241-M245 HydrophobicContact CD2-CE 3.97Å; L241-M245 HydrophobicContact CD2-SD 4.48Å
242S84.4Confident76.7Confident60 Ų60135.1 Ų135.142%0.4267%0.671SS.*  trans-64.7155.7166.763.60000110.4H240 H244 M245 H246H240-S242 PolarHBondContact O-N 2.95Å; S242-H244 PolarHBondContact O-N 3.17Å; S242-H244 VanDerWaalsContact O-N 3.14Å; S242-M245 PolarHBondContact O-N 2.98Å; S242-M245 WeakPolarHBondContact OG-CG 3.46Å; S242-M245 PolarHBondContact OG-N 3.32Å; S242-H246 PolarHBondContact O-N 3.46Å
243T86.4Confident77.5Confident113 Ų113132.4 Ų132.469%0.69367%0.667SS**Hα-helixtrans-52-37.6175.751.20000111.9M245 H246 D247T243-M245 PolarHBondContact O-N 3.02Å; T243-H246 PolarHBondContact O-N 3.36Å; T243-D247 WeakPolarHBondContact O-CB 3.39Å; T243-D247 VanDerWaalsContact O-CG 3.22Å; T243-D247 PolarHBondContact O-N 2.89Å
244H86.7Confident78.5Confident118 Ų118131.3 Ų131.355%0.54667%0.668SS.*Hα-helixtrans-61-45.2174.5-179.9-86.7000113.1S242 H246 Y248S242-H244 PolarHBondContact O-N 3.17Å; S242-H244 VanDerWaalsContact O-N 3.14Å; H244-H246 VanDerWaalsContact C-N 3.28Å; H244-H246 PolarHBondContact O-N 3.5Å; H244-Y248 AromaticContact CD2-CD2 3.73Å; H244-Y248 WeakPolarHBondContact O-CB 3.31Å; H244-Y248 WeakPolarHBondContact O-CD2 3.06Å; H244-Y248 PolarHBondContact O-N 3.16Å
245M86.5Confident79.2Confident111 Ų111130.7 Ų130.755%0.54767%0.667SS.*Hα-helixtrans-69.5-29.1177.8-69.3179.67300112.3L241 S242 T243L241-M245 HydrophobicContact CD2-CB 4.16Å; L241-M245 HydrophobicContact CD2-CE 3.97Å; L241-M245 HydrophobicContact CD2-SD 4.48Å; S242-M245 PolarHBondContact O-N 2.98Å; S242-M245 WeakPolarHBondContact OG-CG 3.46Å; S242-M245 PolarHBondContact OG-N 3.32Å; T243-M245 PolarHBondContact O-N 3.02Å
246H83.3Confident79.9Confident126 Ų126129.7 Ų129.758%0.58367%0.666SS**Hα-helixtrans-74.1-41.5176.5-151.366.9000112S242 T243 H244 Y249S242-H246 PolarHBondContact O-N 3.46Å; T243-H246 PolarHBondContact O-N 3.36Å; H244-H246 VanDerWaalsContact C-N 3.28Å; H244-H246 PolarHBondContact O-N 3.5Å; H246-Y249 WeakPolarHBondContact O-CD1 3.28Å
247D87.8Confident80.2Confident91 Ų91128.3 Ų128.349%0.48767%0.666SS.*Hα-helixtrans-84.6-32.5-174.6-65.5-22.1000113.5T243T243-D247 WeakPolarHBondContact O-CB 3.39Å; T243-D247 VanDerWaalsContact O-CG 3.22Å; T243-D247 PolarHBondContact O-N 2.89Å
248Y84.8Confident80.6Confident172 Ų172127 Ų12768%0.67566%0.659SS**SBendtrans-113.859.1-173.9-61.3-89.3000112.6H244H244-Y248 AromaticContact CD2-CD2 3.73Å; H244-Y248 WeakPolarHBondContact O-CB 3.31Å; H244-Y248 WeakPolarHBondContact O-CD2 3.06Å; H244-Y248 PolarHBondContact O-N 3.16Å
249Y84.4Confident80.9Confident147 Ų147126.4 Ų126.458%0.57667%0.668SS**SBendtrans-86.9167.5163.568.2-84.3000111H246 K251H246-Y249 WeakPolarHBondContact O-CD1 3.28Å; Y249-K251 HydrophobicContact CE2-CG 4.12Å; Y249-K251 PolarHBondContact O-N 3.3Å
250W76Confident81.1Confident213 Ų213125.1 Ų125.181%0.80766%0.66SS**  trans-64.7104175.254.4-82.7000109.7T252W250-T252 HydrophobicContact CE3-CG2 3.84Å; W250-T252 HydrophobicContact CZ3-CG2 3.51Å
251K82.1Confident81.1Confident141 Ų141124.6 Ų124.661%0.61367%0.668SS**  trans-81.3119.8174.6-65.7178.9-176.41770108.3Y249 T253Y249-K251 HydrophobicContact CE2-CG 4.12Å; Y249-K251 PolarHBondContact O-N 3.3Å; K251-T253 PolarHBondContact O-N 3.48Å
252T75.1Confident80.5Confident111 Ų111128.2 Ų128.268%0.68168%0.682SS**  trans-69.798.7169.240.40000109W250 I254W250-T252 HydrophobicContact CE3-CG2 3.84Å; W250-T252 HydrophobicContact CZ3-CG2 3.51Å; T252-I254 PolarHBondContact O-N 3.13Å
253T75.3Confident79.8Confident127 Ų127135.4 Ų135.478%0.77970%0.702SS**PPolyproline II helixtrans-71.9116.6166410000108.6K251 P255K251-T253 PolarHBondContact O-N 3.48Å; T253-P255 WeakPolarHBondContact O-CD 3.45Å
254I76.5Confident78.9Confident159 Ų159135.3 Ų135.382%0.81570%0.702SS**PPolyproline II helixtrans-65.2119.7163.6-57.1171.2000105.7T252 S256T252-I254 PolarHBondContact O-N 3.13Å; I254-S256 PolarHBondContact O-N 3.41Å
255P77.4Confident77.9Confident111 Ų111131.6 Ų131.672%0.72170%0.695SS**PPolyproline II helixtrans-57.6137.8176.223.1-31.2000109.1T253 A257T253-P255 WeakPolarHBondContact O-CD 3.45Å; P255-A257 PolarHBondContact O-N 2.81Å
256S80.7Confident77.1Confident115 Ų115134 Ų13480%0.80471%0.708SS**PPolyproline II helixtrans-52.8127.9178.6-173.50000109.7I254 S258I254-S256 PolarHBondContact O-N 3.41Å; S256-S258 PolarHBondContact O-N 3.25Å
257A78.1Confident76.3Confident85 Ų85135.6 Ų135.670%0.70272%0.716SS**PPolyproline II helixtrans-57.7131.8177.400000109P255 C259P255-A257 PolarHBondContact O-N 2.81Å; A257-C259 PolarHBondContact O-N 3.34Å
258S80.2Confident75.6Confident85 Ų85136.8 Ų136.859%0.59472%0.722SS**PPolyproline II helixtrans-59127.7-178.31150000109.5S256 K260S256-S258 PolarHBondContact O-N 3.25Å; S258-K260 PolarHBondContact O-N 2.95Å; S258-K260 WeakPolarHBondContact OG-CB 3.43Å; S258-K260 PolarHBondContact OG-N 3.15Å
259C79.6Confident75.2Confident133 Ų133135.1 Ų135.190%0.89973%0.725SS**  trans-73.210.9173.9-52.30000113.1A257A257-C259 PolarHBondContact O-N 3.34Å
260K79.2Confident74.9Confident170 Ų170135.2 Ų135.274%0.73973%0.731SS**SBendtrans-75.3131.4174.6-60.7-179.6178.2179.30108S258 E262S258-K260 PolarHBondContact O-N 2.95Å; S258-K260 WeakPolarHBondContact OG-CB 3.43Å; S258-K260 PolarHBondContact OG-N 3.15Å; K260-E262 PolarHBondContact O-N 3.35Å
261P75.5Confident75.1Confident125 Ų125130.9 Ų130.981%0.81273%0.73SS**PPolyproline II helixtrans-57.2133.3173.524.3-32.1000108.9Y263P261-Y263 PolarHBondContact O-N 3.05Å
262E70.8Confident75Confident179 Ų179132.1 Ų132.184%0.83674%0.736SS**PPolyproline II helixtrans-61.1118.8174.8-164168.2-163.500107.9K260 T264K260-E262 PolarHBondContact O-N 3.35Å; E262-T264 VanDerWaalsContact C-N 3.28Å; E262-T264 PolarHBondContact O-N 3.43Å
263Y69.8Low75.3Confident211 Ų211134.9 Ų134.983%0.82774%0.741SS**  trans-71.688.6178.6-175.4-95.2000108.5P261 G265P261-Y263 PolarHBondContact O-N 3.05Å; Y263-G265 PolarHBondContact O-N 3.32Å; Y263-G265 VanDerWaalsContact O-N 3.14Å
264T67.2Low75.5Confident112 Ų112135.7 Ų135.769%0.68773%0.734SS**  trans-72.7100.9162.249.40000106.2E262 I266E262-T264 VanDerWaalsContact C-N 3.28Å; E262-T264 PolarHBondContact O-N 3.43Å; T264-I266 PolarHBondContact O-N 2.93Å; T264-I266 VanDerWaalsContact O-N 3.08Å
265G65.9Low75.8Confident39 Ų39132 Ų13240%0.40272%0.716SS.*  trans-51.8123.3172.900000108.2Y263 Q267Y263-G265 PolarHBondContact O-N 3.32Å; Y263-G265 VanDerWaalsContact O-N 3.14Å; G265-Q267 VanDerWaalsContact C-N 3.25Å; G265-Q267 PolarHBondContact O-N 2.76Å
266I68.7Low76.1Confident162 Ų162130.6 Ų130.683%0.83171%0.705SS**  trans-61.694.2177.5-58.1170.3000106.5T264 N268T264-I266 PolarHBondContact O-N 2.93Å; T264-I266 VanDerWaalsContact O-N 3.08Å; I266-N268 PolarHBondContact O-N 2.81Å
267Q66.8Low76.3Confident159 Ų159130.3 Ų130.374%0.74370%0.698SS**  trans-83105.8171.7-64.4-141.7-21.400106.4G265 N269G265-Q267 VanDerWaalsContact C-N 3.25Å; G265-Q267 PolarHBondContact O-N 2.76Å; Q267-N269 PolarHBondContact O-N 3.05Å
268N72.9Confident76.7Confident116 Ų116132 Ų13262%0.6269%0.692SS**  trans-72100.6169-165.8-4.1000107.8I266 E270I266-N268 PolarHBondContact O-N 2.81Å; N268-E270 WeakPolarHBondContact OD1-CB 3.48Å; N268-E270 WeakPolarHBondContact OD1-CG 3.43Å; N268-E270 PolarHBondContact OD1-N 3.26Å
269N76.2Confident76.9Confident137 Ų137135.3 Ų135.373%0.73369%0.691SS**  trans-835174.4-69.8-21.2000112Q267 P271Q267-N269 PolarHBondContact O-N 3.05Å; N269-P271 WeakPolarHBondContact O-CD 3.46Å
270E80Confident77Confident149 Ų149133.8 Ų133.870%0.69667%0.673SS**SBendtrans-68.1123.2173.7-70.6-176.8149.800110.3N268 F272N268-E270 WeakPolarHBondContact OD1-CB 3.48Å; N268-E270 WeakPolarHBondContact OD1-CG 3.43Å; N268-E270 PolarHBondContact OD1-N 3.26Å; E270-F272 PolarHBondContact O-N 3.12Å
271P79.5Confident77.3Confident123 Ų123130.5 Ų130.580%0.79966%0.664SS**PPolyproline II helixtrans-60.6124.5174.8-18.730.4000110N269 Q273N269-P271 WeakPolarHBondContact O-CD 3.46Å; P271-Q273 PolarHBondContact O-N 3.12Å
272F79.9Confident77.7Confident167 Ų167132.7 Ų132.773%0.73266%0.657SS**PPolyproline II helixtrans-60.8123.9172.6177.7-113.1000109.8E270 K274E270-F272 PolarHBondContact O-N 3.12Å; F272-K274 VanDerWaalsContact C-N 3.34Å; F272-K274 HydrophobicContact CD1-CB 4.4Å; F272-K274 HydrophobicContact CD1-CD 4.42Å; F272-K274 HydrophobicContact CD1-CG 3.39Å; F272-K274 HydrophobicContact CE1-CG 3.89Å; F272-K274 HydrophobicContact CG-CG 4.42Å; F272-K274 PolarHBondContact O-N 3.41Å
273Q81.5Confident78.3Confident169 Ų169129.5 Ų129.579%0.7964%0.64SS**  trans-71.888.8177.6-165.6162.1-2.100109.5P271 D275P271-Q273 PolarHBondContact O-N 3.12Å; Q273-D275 PolarHBondContact O-N 3.03Å
274K78.5Confident78.8Confident144 Ų144124.3 Ų124.363%0.62664%0.641SS**  trans-75.5-5.6-175-73.2175.5-175.2178.90114.4F272 T276F272-K274 VanDerWaalsContact C-N 3.34Å; F272-K274 HydrophobicContact CD1-CB 4.4Å; F272-K274 HydrophobicContact CD1-CD 4.42Å; F272-K274 HydrophobicContact CD1-CG 3.39Å; F272-K274 HydrophobicContact CE1-CG 3.89Å; F272-K274 HydrophobicContact CG-CG 4.42Å; F272-K274 PolarHBondContact O-N 3.41Å; K274-T276 PolarHBondContact O-N 2.85Å
275D83.9Confident79.2Confident81 Ų81127.4 Ų127.443%0.43364%0.64SS.*  trans-83.7105-173.3-63.6-33.3000110.2Q273 R279 I280Q273-D275 PolarHBondContact O-N 3.03Å; D275-R279 IonicContact OD1-CZ 3.63Å; D275-R279 VanDerWaalsContact OD1-CZ 3.26Å; D275-R279 IonicContact OD1-NE 3.03Å; D275-R279 PolarHBondContact OD1-NE 2.71Å; D275-R279 IonicContact OD1-NH2 3.7Å; D275-R279 PolarHBondContact OD1-NH2 3.18Å; D275-I280 HydrophobicContact CB-CD1 3.95Å; D275-I280 HydrophobicContact CB-CG1 4.02Å
276T83.4Confident79.1Confident82 Ų82134.2 Ų134.250%0.50366%0.662SS.*  trans-84.8153.6168.463.30000109.4K274 H278 R279 I280K274-T276 PolarHBondContact O-N 2.85Å; T276-H278 PolarHBondContact O-N 2.99Å; T276-R279 WeakPolarHBondContact O-CA 3.44Å; T276-R279 WeakPolarHBondContact O-CB 3.33Å; T276-R279 PolarHBondContact O-N 2.99Å; T276-R279 PolarHBondContact OG1-N 3.07Å; T276-I280 PolarHBondContact O-N 2.92Å; T276-I280 VanDerWaalsContact O-N 3.14Å
277T85Confident78.9Confident108 Ų108134 Ų13466%0.66366%0.662SS**Hα-helixtrans-49.1-44.9176.951.10000111.5R279 I280 D281T277-R279 VanDerWaalsContact C-N 3.33Å; T277-R279 PolarHBondContact O-N 3.32Å; T277-I280 PolarHBondContact O-N 2.81Å; T277-D281 WeakPolarHBondContact O-CB 3.33Å; T277-D281 PolarHBondContact O-N 2.83Å
278H85.6Confident78.5Confident122 Ų122132 Ų13257%0.56566%0.66SS**Hα-helixtrans-58.7-38.9175.9-177.3-79.7000113.8T276 Y282T276-H278 PolarHBondContact O-N 2.99Å; H278-Y282 AromaticContact CD2-CD2 3.63Å; H278-Y282 AromaticContact NE2-CD2 3.9Å; H278-Y282 WeakPolarHBondContact O-CB 3.42Å; H278-Y282 PolarHBondContact O-N 3.09Å
279R83.9Confident77.3Confident153 Ų153132.7 Ų132.758%0.57766%0.664SS**Hα-helixtrans-71.8-31.3-179.5-162175.6107.7105.1-0.6112.2D275 T276 T277D275-R279 IonicContact OD1-CZ 3.63Å; D275-R279 VanDerWaalsContact OD1-CZ 3.26Å; D275-R279 IonicContact OD1-NE 3.03Å; D275-R279 PolarHBondContact OD1-NE 2.71Å; D275-R279 IonicContact OD1-NH2 3.7Å; D275-R279 PolarHBondContact OD1-NH2 3.18Å; T276-R279 WeakPolarHBondContact O-CA 3.44Å; T276-R279 WeakPolarHBondContact O-CB 3.33Å; T276-R279 PolarHBondContact O-N 2.99Å; T276-R279 PolarHBondContact OG1-N 3.07Å; T277-R279 VanDerWaalsContact C-N 3.33Å; T277-R279 PolarHBondContact O-N 3.32Å
280I82.9Confident76Confident101 Ų101136.7 Ų136.752%0.51867%0.669SS.*Hα-helixtrans-76.3-46.8175.8-62.3169.4000110.3D275 T276 T277D275-I280 HydrophobicContact CB-CD1 3.95Å; D275-I280 HydrophobicContact CB-CG1 4.02Å; T276-I280 PolarHBondContact O-N 2.92Å; T276-I280 VanDerWaalsContact O-N 3.14Å; T277-I280 PolarHBondContact O-N 2.81Å
281D86.2Confident74.4Confident101 Ų101135.6 Ų135.654%0.5467%0.672SS.*Hα-helixtrans-75.2-38.9-171.6-63.4-21.8000112.3T277T277-D281 WeakPolarHBondContact O-CB 3.33Å; T277-D281 PolarHBondContact O-N 2.83Å
282Y83.7Confident72.7Confident171 Ų171132.9 Ų132.967%0.67166%0.66SS**THydrogen-bonded Turntrans-108.257.7-176.3-59.9-85.1000112.2H278H278-Y282 AromaticContact CD2-CD2 3.63Å; H278-Y282 AromaticContact NE2-CD2 3.9Å; H278-Y282 WeakPolarHBondContact O-CB 3.42Å; H278-Y282 PolarHBondContact O-N 3.09Å
283K82.1Confident71.1Confident112 Ų112130.7 Ų130.749%0.48766%0.663SS.*  trans-75149.3168.463.8-175.3178.7-178.80111.1W285K283-W285 HydrophobicContact CD-CH2 4.38Å; K283-W285 HydrophobicContact CD-CZ2 4.33Å; K283-W285 HydrophobicContact CG-CD2 4.24Å; K283-W285 HydrophobicContact CG-CZ2 4.08Å; K283-W285 PolarHBondContact O-N 3.01Å
284A81.1Confident69.5Low103 Ų103129.6 Ų129.685%0.85166%0.661SS**  trans-65.5104.6168.900000108E286A284-E286 PolarHBondContact O-N 2.86Å
285W75.3Confident67.9Low177 Ų177127 Ų12767%0.6766%0.66SS**  trans-70.4127.9171.8-62.396.3000107.6K283 L287K283-W285 HydrophobicContact CD-CH2 4.38Å; K283-W285 HydrophobicContact CD-CZ2 4.33Å; K283-W285 HydrophobicContact CG-CD2 4.24Å; K283-W285 HydrophobicContact CG-CZ2 4.08Å; K283-W285 PolarHBondContact O-N 3.01Å; W285-L287 VanDerWaalsContact C-N 3.33Å; W285-L287 PolarHBondContact O-N 3.34Å
286E64.5Low65.8Low182 Ų182126.8 Ų126.885%0.8567%0.671SS**  trans-55106165.2-76.9179.6170.400106.5A284 T288A284-E286 PolarHBondContact O-N 2.86Å; E286-T288 PolarHBondContact O-N 3.28Å
287L63.3Low63.9Low158 Ų158129.5 Ų129.583%0.82768%0.682SS**  trans-6295.7157.6-72.8167.4000103.2W285 D289W285-L287 VanDerWaalsContact C-N 3.33Å; W285-L287 PolarHBondContact O-N 3.34Å; L287-D289 PolarHBondContact O-N 2.77Å
288T58.2Low62Low116 Ų116132.3 Ų132.371%0.71269%0.687SS**  trans-50.2107.4158.443.50000104E286 R290E286-T288 PolarHBondContact O-N 3.28Å; T288-R290 VanDerWaalsContact C-N 3.34Å; T288-R290 PolarHBondContact O-N 2.85Å
289D49.7Very low60.1Low131 Ų131130.9 Ų130.970%0.70170%0.696SS**  trans-44.8111.8168.2-80.4-36.2000104.1L287 T291L287-D289 PolarHBondContact O-N 2.77Å; D289-T291 HydrophobicContact CB-CG2 3.86Å; D289-T291 PolarHBondContact O-N 3.23Å; D289-T291 PolarHBondContact O-OG1 3.24Å; D289-T291 VanDerWaalsContact O-OG1 3.14Å
290R47.9Very low58.5Low221 Ų221128.4 Ų128.483%0.83470%0.703SS**  trans-69.568.1165.7-88-177.3170.7171.4-2.5105.5T288 A292T288-R290 VanDerWaalsContact C-N 3.34Å; T288-R290 PolarHBondContact O-N 2.85Å; R290-A292 PolarHBondContact O-N 3.23Å
291T45.5Very low57Low126 Ų126129.5 Ų129.577%0.77371%0.714SS**  trans-75.450.8158.643.60000107.9D289D289-T291 HydrophobicContact CB-CG2 3.86Å; D289-T291 PolarHBondContact O-N 3.23Å; D289-T291 PolarHBondContact O-OG1 3.24Å; D289-T291 VanDerWaalsContact O-OG1 3.14Å
292A44.8Very low55.7Low66 Ų66133.1 Ų133.155%0.54572%0.722SS.*SBendtrans-121.8112.914800000103.3R290 I294R290-A292 PolarHBondContact O-N 3.23Å; A292-I294 VanDerWaalsContact C-N 3.33Å; A292-I294 PolarHBondContact O-N 2.87Å
293P45.2Very low54.7Low121 Ų121130 Ų13079%0.78672%0.723SS**  trans-58.7109.3168.126.1-29.3000104.5S295P293-S295 PolarHBondContact O-N 3.48Å
294I49.2Very low54Low146 Ų146132.5 Ų132.575%0.74974%0.736SS**  trans-54.9109.3157.9-65.1174.2000102A292 A296A292-I294 VanDerWaalsContact C-N 3.33Å; A292-I294 PolarHBondContact O-N 2.87Å; I294-A296 PolarHBondContact O-N 3.23Å
295S45.2Very low53.4Low88 Ų88132.1 Ų132.162%0.61573%0.725SS**  trans-65.572.5178.750.20000107.9P293 N297P293-S295 PolarHBondContact O-N 3.48Å; S295-N297 PolarHBondContact O-N 3.34Å
296A40Very low52.9Low78 Ų78132.9 Ų132.965%0.64574%0.741SS**  trans-68.772.7149.100000105.6I294 H298I294-A296 PolarHBondContact O-N 3.23Å; A296-H298 PolarHBondContact O-N 3.26Å
297N43.3Very low52.9Low139 Ų139126.6 Ų126.674%0.74373%0.725SS**  trans-64.961159-77-29.6000108S295S295-N297 PolarHBondContact O-N 3.34Å
298H44.9Very low53Low166 Ų166129.2 Ų129.277%0.76973%0.73SS**  trans-142.355.6166-66.8-67.1000106.7A296 S300A296-H298 PolarHBondContact O-N 3.26Å; H298-S300 PolarHBondContact O-N 2.89Å
299A45Very low53.6Low92 Ų92131.2 Ų131.276%0.7673%0.733SS**  trans-63.475.614200000106T301A299-T301 PolarHBondContact O-N 2.56Å
300S50.3Low54.4Low102 Ų102130 Ų13071%0.71373%0.734SS**  trans-70.480.5163.961.90000105.2H298 Y302H298-S300 PolarHBondContact O-N 2.89Å; S300-Y302 VanDerWaalsContact C-N 3.31Å; S300-Y302 PolarHBondContact O-N 2.98Å
301T52.2Low55.4Low124 Ų124123 Ų12376%0.76172%0.719SS**  trans-51.3104.8162.6-59.20000105.4A299 P303A299-T301 PolarHBondContact O-N 2.56Å; T301-P303 WeakPolarHBondContact O-CD 3.2Å; T301-P303 VanDerWaalsContact O-N 3.11Å
302Y58.2Low56.7Low176 Ų176121.4 Ų121.469%0.6971%0.706SS**  trans-55.5118.5178.1177.4-97.7000106.9S300 E304S300-Y302 VanDerWaalsContact C-N 3.31Å; S300-Y302 PolarHBondContact O-N 2.98Å; Y302-E304 PolarHBondContact O-N 3.11Å
303P62.6Low58.2Low107 Ų107122 Ų12270%0.69570%0.703SS**  trans-67.5112.9175.426.9-28.5000106.2T301T301-P303 WeakPolarHBondContact O-CD 3.2Å; T301-P303 VanDerWaalsContact O-N 3.11Å
304E67.9Low59.8Low164 Ų164121.4 Ų121.477%0.76670%0.697SS**  trans-51.9129.8171.5-75.2-176.1173.500108.2Y302 L306Y302-E304 PolarHBondContact O-N 3.11Å; E304-L306 PolarHBondContact O-N 3.45Å
305P68.4Low61.2Low94 Ų94121.7 Ų121.761%0.6169%0.69SS**  trans-57.7119.4-18020.7-30.7000109.1G307P305-G307 PolarHBondContact O-N 3.14Å
306L64.9Low62.9Low193 Ų193121.6 Ų121.6100%1.0168%0.682SS**SBendtrans-68.429177.4-74.9169.2000113.4E304E304-L306 PolarHBondContact O-N 3.45Å
307G64.9Low64.7Low51 Ų51123.5 Ų123.553%0.52668%0.676SS.*SBendtrans-128.4120.217900000110P305 M309P305-G307 PolarHBondContact O-N 3.14Å; G307-M309 PolarHBondContact O-N 2.88Å; G307-M309 VanDerWaalsContact O-N 3.12Å
308K65.8Low66.3Low212 Ų212122.3 Ų122.392%0.92267%0.669SS**  trans-62.4115.3165.1-68.9-171.9178-1760107.5C310K308-C310 PolarHBondContact O-N 3.18Å
309M70.3Confident67.8Low158 Ų158122 Ų12278%0.77866%0.662SS**  trans-62.6129.8173100.4-178-140.600108.2G307 S311G307-M309 PolarHBondContact O-N 2.88Å; G307-M309 VanDerWaalsContact O-N 3.12Å; M309-S311 VanDerWaalsContact C-N 3.26Å; M309-S311 WeakPolarHBondContact CE-OG 3.33Å; M309-S311 VanDerWaalsContact CG-OG 3.28Å; M309-S311 WeakPolarHBondContact CG-OG 3.42Å; M309-S311 PolarHBondContact O-N 2.73Å; M309-S311 PolarHBondContact O-OG 2.88Å
310C65.9Low69.1Low107 Ų107122.5 Ų122.572%0.72365%0.651SS**  trans-71.286.5173.2-87.80000108.8K308 D312K308-C310 PolarHBondContact O-N 3.18Å; C310-D312 PolarHBondContact O-N 2.7Å
311S69.5Low70Confident74 Ų74123.5 Ų123.552%0.51766%0.656SS.*  trans-73.9-6.1174.3-51.20000113M309 T313M309-S311 VanDerWaalsContact C-N 3.26Å; M309-S311 WeakPolarHBondContact CE-OG 3.33Å; M309-S311 VanDerWaalsContact CG-OG 3.28Å; M309-S311 WeakPolarHBondContact CG-OG 3.42Å; M309-S311 PolarHBondContact O-N 2.73Å; M309-S311 PolarHBondContact O-OG 2.88Å; S311-T313 PolarHBondContact O-N 2.92Å
312D71.4Confident70.4Confident92 Ų92126.1 Ų126.149%0.49266%0.657SS.*  trans-78.4105.5-178.2-62.6-35.7000110.6C310 N316 K317C310-D312 PolarHBondContact O-N 2.7Å; D312-N316 HydrophobicContact CB-CB 4.31Å; D312-K317 HydrophobicContact CB-CG 4.1Å
313T76.4Confident70.3Confident79 Ų79121.2 Ų121.249%0.48566%0.66SS.*  trans-62.1157166.468.30000110.2S311 Y315 N316 K317S311-T313 PolarHBondContact O-N 2.92Å; T313-Y315 PolarHBondContact O-N 2.81Å; T313-Y315 VanDerWaalsContact O-N 3.12Å; T313-N316 WeakPolarHBondContact O-CB 3.4Å; T313-N316 PolarHBondContact O-N 2.79Å; T313-N316 PolarHBondContact OG1-N 2.72Å; T313-N316 PolarHBondContact OG1-OD1 3.36Å; T313-N316 VanDerWaalsContact OG1-OD1 3.13Å; T313-K317 PolarHBondContact O-N 2.86Å
314T79.7Confident69.8Low108 Ų108123.8 Ų123.866%0.66367%0.667SS**Hα-helixtrans-51-37.7175.547.20000111.4N316 K317 D318T314-N316 PolarHBondContact O-N 2.96Å; T314-K317 PolarHBondContact O-N 2.73Å; T314-K317 VanDerWaalsContact O-N 3.14Å; T314-D318 VanDerWaalsContact O-CB 3.29Å; T314-D318 WeakPolarHBondContact O-CB 3.15Å; T314-D318 PolarHBondContact O-N 2.89Å; T314-D318 VanDerWaalsContact O-OD2 3.09Å
315Y78.3Confident69.2Low152 Ų152123.8 Ų123.860%0.59667%0.667SS**Hα-helixtrans-56.2-44.8173.8-173.8-93.5000113.8T313 K317 D318 Y319T313-Y315 PolarHBondContact O-N 2.81Å; T313-Y315 VanDerWaalsContact O-N 3.12Å; Y315-K317 VanDerWaalsContact C-N 3.28Å; Y315-K317 PolarHBondContact O-N 2.86Å; Y315-D318 PolarHBondContact O-N 3.3Å; Y315-Y319 AromaticContact CD2-CD2 3.38Å; Y315-Y319 HydrophobicContact CD2-CD2 3.38Å; Y315-Y319 AromaticContact CD2-CE2 3.72Å; Y315-Y319 HydrophobicContact CD2-CE2 3.72Å; Y315-Y319 HydrophobicContact CD2-CG 4.23Å; Y315-Y319 AromaticContact CE2-CD2 3.58Å; Y315-Y319 HydrophobicContact CE2-CD2 3.58Å; Y315-Y319 AromaticContact CE2-CE2 3.99Å; Y315-Y319 HydrophobicContact CE2-CE2 3.99Å; Y315-Y319 HydrophobicContact CE2-CG 4.01Å; Y315-Y319 AromaticContact CG-CD2 3.98Å; Y315-Y319 HydrophobicContact CG-CD2 3.98Å; Y315-Y319 WeakPolarHBondContact O-CB 3.42Å; Y315-Y319 WeakPolarHBondContact O-CD2 3.39Å; Y315-Y319 PolarHBondContact O-N 3.03Å
316N80.5Confident68.1Low86 Ų86127 Ų12746%0.4668%0.679SS.*Hα-helixtrans-67.6-28.4179.5-70.127.2000112.8D312 T313 T314D312-N316 HydrophobicContact CB-CB 4.31Å; T313-N316 WeakPolarHBondContact O-CB 3.4Å; T313-N316 PolarHBondContact O-N 2.79Å; T313-N316 PolarHBondContact OG1-N 2.72Å; T313-N316 PolarHBondContact OG1-OD1 3.36Å; T313-N316 VanDerWaalsContact OG1-OD1 3.13Å; T314-N316 PolarHBondContact O-N 2.96Å
317K78.4Confident67.3Low117 Ų117128.4 Ų128.451%0.50967%0.671SS.*Hα-helixtrans-81.9-36.3177.2-64.8-176.3-179.4178.30112.1D312 T313 T314 Y315D312-K317 HydrophobicContact CB-CG 4.1Å; T313-K317 PolarHBondContact O-N 2.86Å; T314-K317 PolarHBondContact O-N 2.73Å; T314-K317 VanDerWaalsContact O-N 3.14Å; Y315-K317 VanDerWaalsContact C-N 3.28Å; Y315-K317 PolarHBondContact O-N 2.86Å
318D77.9Confident66.3Low114 Ų114137.9 Ų137.961%0.6169%0.691SS**Hα-helixtrans-88.6-28.1-171.8-61.9-23.2000112.4T314 Y315T314-D318 VanDerWaalsContact O-CB 3.29Å; T314-D318 WeakPolarHBondContact O-CB 3.15Å; T314-D318 PolarHBondContact O-N 2.89Å; T314-D318 VanDerWaalsContact O-OD2 3.09Å; Y315-D318 PolarHBondContact O-N 3.3Å
319Y76.2Confident65.1Low159 Ų159132 Ų13262%0.62468%0.681SS**  trans-11658.8-176.4-61.1-83.9000112.4Y315Y315-Y319 AromaticContact CD2-CD2 3.38Å; Y315-Y319 HydrophobicContact CD2-CD2 3.38Å; Y315-Y319 AromaticContact CD2-CE2 3.72Å; Y315-Y319 HydrophobicContact CD2-CE2 3.72Å; Y315-Y319 HydrophobicContact CD2-CG 4.23Å; Y315-Y319 AromaticContact CE2-CD2 3.58Å; Y315-Y319 HydrophobicContact CE2-CD2 3.58Å; Y315-Y319 AromaticContact CE2-CE2 3.99Å; Y315-Y319 HydrophobicContact CE2-CE2 3.99Å; Y315-Y319 HydrophobicContact CE2-CG 4.01Å; Y315-Y319 AromaticContact CG-CD2 3.98Å; Y315-Y319 HydrophobicContact CG-CD2 3.98Å; Y315-Y319 WeakPolarHBondContact O-CB 3.42Å; Y315-Y319 WeakPolarHBondContact O-CD2 3.39Å; Y315-Y319 PolarHBondContact O-N 3.03Å
320I71.6Confident64Low103 Ų103132.1 Ų132.153%0.52868%0.683SS.*  trans-75.8128170.8-51.2168000107.7F322I320-F322 WeakPolarHBondContact O-CD2 3.46Å; I320-F322 PolarHBondContact O-N 3.19Å
321P69Low62.5Low124 Ų124134.9 Ų134.981%0.80569%0.686SS**  trans-64.998.1176.824.6-31.3000109.5G323P321-G323 PolarHBondContact O-N 3.34Å
322F61.3Low61.4Low178 Ų178140.5 Ų140.578%0.78170%0.704SS**  trans-63.7122170.6-78.8-84.7000108.6I320 L324I320-F322 WeakPolarHBondContact O-CD2 3.46Å; I320-F322 PolarHBondContact O-N 3.19Å; F322-L324 PolarHBondContact O-N 2.9Å
323G55.3Low59.9Low73 Ų73141.9 Ų141.975%0.75372%0.715SS**  trans-55.1113.4175.900000110.3P321 Q325P321-G323 PolarHBondContact O-N 3.34Å; G323-Q325 PolarHBondContact O-N 2.83Å
324L53.2Low58Low162 Ų162143.4 Ų143.485%0.84872%0.72SS**  trans-60.6108.5178.9-80156.9000109.3F322 N326F322-L324 PolarHBondContact O-N 2.9Å; L324-N326 PolarHBondContact O-N 3.2Å
325Q53.5Low56.1Low163 Ų163145.9 Ų145.976%0.76272%0.722SS**  trans-62.2106.6162-79.4-160-14.100107.9G323 R327G323-Q325 PolarHBondContact O-N 2.83Å; Q325-R327 VanDerWaalsContact C-N 3.32Å; Q325-R327 PolarHBondContact O-N 3.12Å
326N45.3Very low54.2Low162 Ų162147 Ų14787%0.86674%0.737SS**  trans-5792171-85-31.5000110.2L324L324-N326 PolarHBondContact O-N 3.2Å
327R48.2Very low52.3Low222 Ų222146 Ų14684%0.83875%0.746SS**PPolyproline II helixtrans-94.9122.6162.5-77.7-164.3-173.2-1183.2109.2Q325Q325-R327 VanDerWaalsContact C-N 3.32Å; Q325-R327 PolarHBondContact O-N 3.12Å
328R44.6Very low50.5Low251 Ų251151.8 Ų151.895%0.94777%0.765SS**PPolyproline II helixtrans-69.5148.6177.2-70179.1173.6172.8-2.4111.2
329A41Very low48.8Very low88 Ų88150.1 Ų150.173%0.72778%0.775SS**PPolyproline II helixtrans-67.3158.5-164.400000116.5
330I47Very low47.4Very low160 Ų160148.1 Ų148.182%0.82178%0.778SS**  trans-140.4117.7146.1-57.4-179.7000107.9
331H34.6Very low46.3Very low166 Ų166152.2 Ų152.277%0.76980%0.795SS**  trans-73.6126.3167.9-97.3-92.4000109.9
332Q46.8Very low45.7Very low191 Ų191153.1 Ų153.189%0.89379%0.793SS**  trans-146.2114.9145.1-70.8-165.6-19.500109.1
333V38.1Very low45.6Very low121 Ų121149.8 Ų149.873%0.73379%0.789SS**  trans-81123.7173.3174.40000107.2
334D37.9Very low46.2Very low111 Ų111151.9 Ų151.959%0.59479%0.789SS**  trans-175.7120.9135.9-100-12.9000112.4
335K38.5Very low46.9Very low160 Ų160153.3 Ų153.370%0.69679%0.789SS**  trans64.7135.7131.3-60.3167.4-174138.60119.7
336I40.4Very low47.4Very low177 Ų177154 Ų15491%0.90879%0.792SS**  trans86.2119.8164.4-45149.1000112.3
337G38.7Very low48.6Very low64 Ų64148.1 Ų148.166%0.6677%0.77SS**  cis165.5155.29.300000108.6
338R42Very low49.7Very low239 Ų239142.1 Ų142.190%0.90276%0.757SS**  trans76.574.3171.2-59.3-164-102.4-106.34.3117.3V340R338-V340 PolarHBondContact O-N 2.83Å
339G40.7Very low51.2Low79 Ų79133 Ų13381%0.81473%0.732SS**  trans-66.2106.4146.100000108.4E341G339-E341 PolarHBondContact O-N 2.93Å; G339-E341 VanDerWaalsContact O-N 3.08Å
340V48.7Very low52.9Low116 Ų116135.1 Ų135.170%0.70373%0.732SS**  trans-68.5101.9168.3176.90000105.9R338 L342R338-V340 PolarHBondContact O-N 2.83Å; V340-L342 HydrophobicContact CG1-CD2 4.14Å; V340-L342 HydrophobicContact CG1-CG 4.3Å; V340-L342 PolarHBondContact O-N 2.98Å
341E47.7Very low54.5Low189 Ų189134.9 Ų134.988%0.88372%0.721SS**  trans-63.894.3163.7-67.4-160171.300107.3G339G339-E341 PolarHBondContact O-N 2.93Å; G339-E341 VanDerWaalsContact O-N 3.08Å
342L56.5Low56.5Low144 Ų144133.9 Ų133.975%0.75472%0.715SS**PPolyproline II helixtrans-63.3132.2167.7-72.4169.6000107.4V340V340-L342 HydrophobicContact CG1-CD2 4.14Å; V340-L342 HydrophobicContact CG1-CG 4.3Å; V340-L342 PolarHBondContact O-N 2.98Å
343P59.9Low57.8Low108 Ų108129.5 Ų129.570%0.70170%0.698SS**PPolyproline II helixtrans-53.1149174.3-23.432.1000110.7F345P343-F345 PolarHBondContact O-N 2.92Å
344P66.5Low59.7Low117 Ų117127.4 Ų127.476%0.7669%0.688SS**PPolyproline II helixtrans-53.9128.3176.3-19.729.7000109.8Q346P344-Q346 PolarHBondContact O-N 2.82Å
345F68.4Low61.7Low192 Ų192130.1 Ų130.184%0.84269%0.691SS**  trans-60.2107.1174.3172.2-111.4000109.4P343 G347P343-F345 PolarHBondContact O-N 2.92Å; F345-G347 VanDerWaalsContact CE1-CA 3.5Å; F345-G347 PolarHBondContact O-N 2.81Å
346Q64.4Low63.4Low177 Ų177129.2 Ų129.283%0.82768%0.684SS**  trans-7672.7175.5-79.9162.1-29.400109.5P344 V348P344-Q346 PolarHBondContact O-N 2.82Å; Q346-V348 PolarHBondContact O-N 3.23Å
347G70.7Confident64.9Low38 Ų38127 Ų12739%0.39268%0.682SS.*  trans-75.846.8177.200000113.9F345F345-G347 VanDerWaalsContact CE1-CA 3.5Å; F345-G347 PolarHBondContact O-N 2.81Å
348V70.4Confident66.6Low96 Ų96131.6 Ų131.658%0.58268%0.68SS**  trans-106.3102.7177.1-135.40000107.8Q346Q346-V348 PolarHBondContact O-N 3.23Å
349S75.5Confident67.8Low60 Ų60126.7 Ų126.742%0.4268%0.676SS.*  trans-85.3145.116959.70000110Y351 K352 D353S349-Y351 PolarHBondContact O-N 3.29Å; S349-K352 PolarHBondContact O-N 2.94Å; S349-K352 WeakPolarHBondContact OG-CB 3.38Å; S349-K352 PolarHBondContact OG-N 2.69Å; S349-D353 PolarHBondContact O-N 3.3Å
350D77.9Confident69Low133 Ų133130 Ų13071%0.71167%0.674SS**Hα-helixtrans-46.3-39.4168.855.8-10.2000112.5D353 S354D350-D353 PolarHBondContact O-N 3.49Å; D350-S354 WeakPolarHBondContact O-CB 3.29Å; D350-S354 PolarHBondContact O-N 3.47Å; D350-S354 PolarHBondContact O-OG 3.43Å
351Y79.8Confident69.8Low154 Ų154132.4 Ų132.460%0.60468%0.678SS**Hα-helixtrans-63-44.7176-172.4-92.5000112.8S349 D353 S354 Y355S349-Y351 PolarHBondContact O-N 3.29Å; Y351-D353 VanDerWaalsContact C-N 3.29Å; Y351-D353 PolarHBondContact O-N 2.99Å; Y351-S354 PolarHBondContact O-N 2.86Å; Y351-Y355 HydrophobicContact CD1-CD2 4.42Å; Y351-Y355 AromaticContact CD2-CD2 3.6Å; Y351-Y355 HydrophobicContact CD2-CD2 3.6Å; Y351-Y355 AromaticContact CD2-CE2 3.66Å; Y351-Y355 HydrophobicContact CD2-CE2 3.66Å; Y351-Y355 HydrophobicContact CE1-CD2 4.35Å; Y351-Y355 AromaticContact CE2-CD2 3.52Å; Y351-Y355 HydrophobicContact CE2-CD2 3.52Å; Y351-Y355 AromaticContact CE2-CE2 3.56Å; Y351-Y355 HydrophobicContact CE2-CE2 3.56Å; Y351-Y355 HydrophobicContact CE2-CG 4.4Å; Y351-Y355 HydrophobicContact CG-CD2 4.06Å; Y351-Y355 AromaticContact CZ-CD2 3.92Å; Y351-Y355 WeakPolarHBondContact O-CD2 3.35Å; Y351-Y355 PolarHBondContact O-N 3.03Å
352K76.8Confident70.4Confident145 Ų145128.8 Ų128.863%0.6367%0.671SS**Hα-helixtrans-67.4-31.7-178.5-170.1175.1178.9-178.70112.1S349S349-K352 PolarHBondContact O-N 2.94Å; S349-K352 WeakPolarHBondContact OG-CB 3.38Å; S349-K352 PolarHBondContact OG-N 2.69Å
353D74.5Confident70.5Confident100 Ų100130.6 Ų130.654%0.53568%0.675SS.*Hα-helixtrans-81.7-32.3176.6-117.82.4000113.1S349 D350 Y351 R356S349-D353 PolarHBondContact O-N 3.3Å; D350-D353 PolarHBondContact O-N 3.49Å; Y351-D353 VanDerWaalsContact C-N 3.29Å; Y351-D353 PolarHBondContact O-N 2.99Å; D353-R356 PolarHBondContact O-NE 3.09Å
354S78.5Confident70.2Confident76 Ų76131.7 Ų131.753%0.53168%0.68SS.*Hα-helixtrans-74.5-34.9179.3-58.70000112.9D350 Y351D350-S354 WeakPolarHBondContact O-CB 3.29Å; D350-S354 PolarHBondContact O-N 3.47Å; D350-S354 PolarHBondContact O-OG 3.43Å; Y351-S354 PolarHBondContact O-N 2.86Å
355Y78.8Confident69.8Low169 Ų169135 Ų13566%0.66368%0.682SS**THydrogen-bonded Turntrans-11450.1-174.5-63.7-81.8000113Y351Y351-Y355 HydrophobicContact CD1-CD2 4.42Å; Y351-Y355 AromaticContact CD2-CD2 3.6Å; Y351-Y355 HydrophobicContact CD2-CD2 3.6Å; Y351-Y355 AromaticContact CD2-CE2 3.66Å; Y351-Y355 HydrophobicContact CD2-CE2 3.66Å; Y351-Y355 HydrophobicContact CE1-CD2 4.35Å; Y351-Y355 AromaticContact CE2-CD2 3.52Å; Y351-Y355 HydrophobicContact CE2-CD2 3.52Å; Y351-Y355 AromaticContact CE2-CE2 3.56Å; Y351-Y355 HydrophobicContact CE2-CE2 3.56Å; Y351-Y355 HydrophobicContact CE2-CG 4.4Å; Y351-Y355 HydrophobicContact CG-CD2 4.06Å; Y351-Y355 AromaticContact CZ-CD2 3.92Å; Y351-Y355 WeakPolarHBondContact O-CD2 3.35Å; Y351-Y355 PolarHBondContact O-N 3.03Å
356R74.9Confident69Low141 Ų141129 Ų12953%0.53267%0.674SS.*  trans-72.9144.5168.150.1-178.3138.9156.9-0.3111.1D353 W358D353-R356 PolarHBondContact O-NE 3.09Å; R356-W358 HydrophobicContact CG-CD2 4.31Å; R356-W358 HydrophobicContact CG-CH2 4.31Å; R356-W358 HydrophobicContact CG-CZ2 3.75Å; R356-W358 PolarHBondContact O-N 3.05Å; R356-W358 PolarHBondContact O-NE1 3.16Å
357C72.5Confident68.2Low131 Ų131127.5 Ų127.589%0.88567%0.671SS**  trans-64.5106.9171.5-172.60000108.5
358W72.9Confident67.1Low159 Ų159128 Ų12860%0.60268%0.677SS**  trans-78130.9173.8-63.3100.1000108.7R356 I360R356-W358 HydrophobicContact CG-CD2 4.31Å; R356-W358 HydrophobicContact CG-CH2 4.31Å; R356-W358 HydrophobicContact CG-CZ2 3.75Å; R356-W358 PolarHBondContact O-N 3.05Å; R356-W358 PolarHBondContact O-NE1 3.16Å; W358-I360 VanDerWaalsContact C-N 3.3Å; W358-I360 PolarHBondContact O-N 2.76Å
359T67.7Low66Low136 Ų136136.2 Ų136.283%0.83470%0.697SS**  trans-63.596.4167.9-43.30000107.5E361T359-E361 PolarHBondContact O-N 3.33Å; T359-E361 VanDerWaalsContact O-N 3.15Å
360I66.6Low64.8Low149 Ų149140.6 Ų140.676%0.76471%0.711SS**  trans-71.3107.1172-58.7171.7000105.4W358W358-I360 VanDerWaalsContact C-N 3.3Å; W358-I360 PolarHBondContact O-N 2.76Å
361E64.1Low63.5Low167 Ų167138.8 Ų138.878%0.7872%0.715SS**  trans-56.1124.7166.6-69.6-174166.300107.4T359 Q363T359-E361 PolarHBondContact O-N 3.33Å; T359-E361 VanDerWaalsContact O-N 3.15Å; E361-Q363 PolarHBondContact O-N 3.19Å
362P61.9Low62.5Low113 Ų113138 Ų13873%0.73473%0.726SS**  trans-57.5121.8178.123-30.6000107.2V364P362-V364 PolarHBondContact O-N 3.1Å
363Q58.1Low62.1Low182 Ų182139.7 Ų139.785%0.8573%0.729SS**  trans-50.8106.6170.9-78.7-97.3-32.400107.3E361 K365E361-Q363 PolarHBondContact O-N 3.19Å; Q363-K365 PolarHBondContact O-N 3.07Å
364V53.6Low61.9Low131 Ų131140.6 Ų140.679%0.79474%0.739SS**  trans-63.796.1165.7-178.10000104P362 G366P362-V364 PolarHBondContact O-N 3.1Å; V364-G366 PolarHBondContact O-N 2.93Å
365K57.5Low61.7Low185 Ų185143.3 Ų143.380%0.80475%0.746SS**  trans-53104.9159.7-81.9-178176.2179.90104.2Q363 L367Q363-K365 PolarHBondContact O-N 3.07Å; K365-L367 VanDerWaalsContact C-N 3.27Å; K365-L367 PolarHBondContact O-N 3.05Å
366G51.2Low61.3Low66 Ų66139 Ų13968%0.6874%0.739SS**  trans-54.9104.3166.800000105.3V364 G368V364-G366 PolarHBondContact O-N 2.93Å; G366-G368 VanDerWaalsContact C-N 3.27Å; G366-G368 PolarHBondContact O-N 2.83Å
367L48.1Very low61.4Low147 Ų147140.6 Ų140.677%0.7776%0.756SS**  trans-53.8109159.4-96.884.4000103.3K365K365-L367 VanDerWaalsContact C-N 3.27Å; K365-L367 PolarHBondContact O-N 3.05Å
368G47.2Very low61.7Low49 Ų49140.1 Ų140.151%0.50575%0.749SS.*  trans-48155.5160.400000107.7G366 E370G366-G368 VanDerWaalsContact C-N 3.27Å; G366-G368 PolarHBondContact O-N 2.83Å; G368-E370 PolarHBondContact O-N 3.04Å
369R48.7Very low61.9Low268 Ų268141 Ų141100%1.01176%0.757SS**SBendtrans-56.475.5179.9-66.9175.6174.2-179.9-2.8111.3
370E49.2Very low62.6Low152 Ų152143.5 Ų143.571%0.7176%0.756SS**  trans-107.1110.1174.5-79.4-178.6155.700103.9G368 T372G368-E370 PolarHBondContact O-N 3.04Å; E370-T372 PolarHBondContact O-N 3.11Å
371A51.1Low63.2Low95 Ų95145.3 Ų145.379%0.78576%0.762SS**  trans-6.2104-178.100000114.6Y373A371-Y373 PolarHBondContact O-N 3Å
372T59.6Low63.9Low137 Ų137139.4 Ų139.484%0.8475%0.745SS**  trans-54.5106.2163-270000106.3E370 T374E370-T372 PolarHBondContact O-N 3.11Å; T372-T374 PolarHBondContact O-N 3.5Å
373Y67.6Low64.8Low180 Ų180141.1 Ų141.171%0.70674%0.741SS**  trans-60.9106.5-179171.9-99.9000108.5A371 I375 P376A371-Y373 PolarHBondContact O-N 3Å; Y373-I375 HydrophobicContact CD1-CG1 4.4Å; Y373-I375 HydrophobicContact CE1-CG1 3.93Å; Y373-P376 WeakPolarHBondContact OH-CD 3.39Å
374T71.2Confident66.1Low119 Ų119135.7 Ų135.773%0.7372%0.724SS**PPolyproline II helixtrans-80.211816839.10000108.1T372 P376T372-T374 PolarHBondContact O-N 3.5Å; T374-P376 WeakPolarHBondContact O-CD 3.36Å
375I72.4Confident67.5Low133 Ų133134.1 Ų134.168%0.68271%0.714SS**PPolyproline II helixtrans-54.6122.7171.2-59.4166.9000107.5Y373 I377Y373-I375 HydrophobicContact CD1-CG1 4.4Å; Y373-I375 HydrophobicContact CE1-CG1 3.93Å; I375-I377 PolarHBondContact O-N 2.87Å; I375-I377 VanDerWaalsContact O-N 3.12Å
376P71.1Confident68.7Low80 Ų80129.4 Ų129.452%0.51970%0.701SS.*PPolyproline II helixtrans-57.6120.2173.6-20.230.2000109.1Y373 T374 V378Y373-P376 WeakPolarHBondContact OH-CD 3.39Å; T374-P376 WeakPolarHBondContact O-CD 3.36Å; P376-V378 PolarHBondContact O-N 3.06Å
377I77.4Confident70.3Confident173 Ų173129.6 Ų129.689%0.88769%0.692SS**SBendtrans-67-21.3174.3-58.5168000110I375 K379I375-I377 PolarHBondContact O-N 2.87Å; I375-I377 VanDerWaalsContact O-N 3.12Å; I377-K379 PolarHBondContact O-N 3.1Å
378V78.6Confident72Confident121 Ų121126.7 Ų126.773%0.73368%0.677SS**SBendtrans-77.2119.2175.2-173.90000109.3P376P376-V378 PolarHBondContact O-N 3.06Å
379K77.3Confident73.7Confident179 Ų179130.9 Ų130.978%0.77868%0.683SS**PPolyproline II helixtrans-63.1137.2175.1-65.1179.7179.9177.60109.5I377 E381I377-K379 PolarHBondContact O-N 3.1Å; K379-E381 PolarHBondContact O-N 2.82Å
380F81.7Confident75.1Confident187 Ų187127.1 Ų127.182%0.8267%0.671SS**PPolyproline II helixtrans-69.7116.8173.3175.9-105.1000109.9G382F380-G382 WeakPolarHBondContact CE1-O 3.18Å
381E79Confident76.5Confident188 Ų188123.7 Ų123.788%0.87966%0.66SS**  trans-96.322.6-178.5-62.9-169.7161.800113.5K379 K383K379-E381 PolarHBondContact O-N 2.82Å; E381-K383 PolarHBondContact O-N 2.73Å
382G80.2Confident77.9Confident42 Ų42124 Ų12443%0.43365%0.653SS.*  trans-84.6110.7176.100000112.1F380F380-G382 WeakPolarHBondContact CE1-O 3.18Å
383K80.3Confident78.6Confident150 Ų150124.8 Ų124.865%0.65265%0.648SS**  trans-91.8142.4161.9-66.3-179.2-176.9176.10109.2E381 D388E381-K383 PolarHBondContact O-N 2.73Å; K383-D388 WeakPolarHBondContact CB-OD1 3.5Å; K383-D388 WeakPolarHBondContact CD-OD1 3.16Å
384S84.7Confident78.5Confident68 Ų68123.1 Ų123.148%0.47665%0.65SS.*  trans-70.6148.6173.463.70000109.7T386 S387 D388S384-T386 PolarHBondContact O-N 3Å; S384-T386 VanDerWaalsContact O-N 3.16Å; S384-S387 WeakPolarHBondContact O-CA 3.37Å; S384-S387 WeakPolarHBondContact O-CB 3.48Å; S384-S387 PolarHBondContact O-N 2.78Å; S384-S387 WeakPolarHBondContact OG-CB 3.17Å; S384-S387 PolarHBondContact OG-N 3.01Å; S384-S387 VanDerWaalsContact OG-N 3.17Å; S384-D388 PolarHBondContact O-N 3.17Å
385T84.3Confident78.2Confident98 Ų98125.2 Ų125.260%0.60166%0.657SS**Hα-helixtrans-54.1-36.317551.40000111.3S387 D388 H389T385-S387 PolarHBondContact O-N 2.84Å; T385-D388 PolarHBondContact O-N 3.15Å; T385-H389 VanDerWaalsContact O-CB 3.28Å; T385-H389 WeakPolarHBondContact O-CB 3.28Å; T385-H389 PolarHBondContact O-CD2 3.35Å; T385-H389 VanDerWaalsContact O-CG 3.23Å; T385-H389 PolarHBondContact O-N 3.1Å
386T81.9Confident77.5Confident86 Ų86127.1 Ų127.153%0.52866%0.657SS.*Hα-helixtrans-63.1-41.5174.3-36.70000112.4S384 D388 Y390S384-T386 PolarHBondContact O-N 3Å; S384-T386 VanDerWaalsContact O-N 3.16Å; T386-D388 VanDerWaalsContact C-N 3.35Å; T386-Y390 HydrophobicContact CG2-CD2 3.71Å; T386-Y390 HydrophobicContact CG2-CE2 4.17Å; T386-Y390 WeakPolarHBondContact O-CB 3.33Å; T386-Y390 WeakPolarHBondContact O-CD2 3.45Å; T386-Y390 PolarHBondContact O-N 2.85Å
387S84.7Confident77.1Confident69 Ų69133.6 Ų133.648%0.48367%0.671SS.*Hα-helixtrans-69.6-31.7178.4-173.60000112.7S384 T385S384-S387 WeakPolarHBondContact O-CA 3.37Å; S384-S387 WeakPolarHBondContact O-CB 3.48Å; S384-S387 PolarHBondContact O-N 2.78Å; S384-S387 WeakPolarHBondContact OG-CB 3.17Å; S384-S387 PolarHBondContact OG-N 3.01Å; S384-S387 VanDerWaalsContact OG-N 3.17Å; T385-S387 PolarHBondContact O-N 2.84Å
388D83.5Confident76.6Confident87 Ų87129.8 Ų129.847%0.46566%0.657SS.*Hα-helixtrans-80.6-31.7176.9-76.3-24.9000112.5K383 S384 T385 T386K383-D388 WeakPolarHBondContact CB-OD1 3.5Å; K383-D388 WeakPolarHBondContact CD-OD1 3.16Å; S384-D388 PolarHBondContact O-N 3.17Å; T385-D388 PolarHBondContact O-N 3.15Å; T386-D388 VanDerWaalsContact C-N 3.35Å
389H82.1Confident76.2Confident136 Ų136129 Ų12963%0.6365%0.654SS**Hα-helixtrans-87.4-31.6-178.1-67.8-47000114.5T385T385-H389 VanDerWaalsContact O-CB 3.28Å; T385-H389 WeakPolarHBondContact O-CB 3.28Å; T385-H389 PolarHBondContact O-CD2 3.35Å; T385-H389 VanDerWaalsContact O-CG 3.23Å; T385-H389 PolarHBondContact O-N 3.1Å
390Y79.6Confident75.8Confident190 Ų190128.2 Ų128.275%0.74565%0.654SS**  trans-108.365.7-174.7-66.2-88.9000111.8T386T386-Y390 HydrophobicContact CG2-CD2 3.71Å; T386-Y390 HydrophobicContact CG2-CE2 4.17Å; T386-Y390 WeakPolarHBondContact O-CB 3.33Å; T386-Y390 WeakPolarHBondContact O-CD2 3.45Å; T386-Y390 PolarHBondContact O-N 2.85Å
391V78.5Confident75.4Confident80 Ų80123.4 Ų123.449%0.48564%0.643SS.*  trans-94.9137.1174.9-168.70000109.6H393V391-H393 PolarHBondContact O-N 2.8Å
392P79.4Confident74.8Confident100 Ų100124.1 Ų124.165%0.64964%0.643SS**  trans-57.9111.5174.8-22.532.2000111L394P392-L394 HydrophobicContact CB-CD1 4.07Å; P392-L394 HydrophobicContact CB-CG 4.21Å; P392-L394 PolarHBondContact O-N 3.4Å
393H75.9Confident74.2Confident155 Ų155130 Ų13072%0.71866%0.657SS**  trans-76.564.1171.2-61.1-62.8000110.3V391 N395 Y396V391-H393 PolarHBondContact O-N 2.8Å; H393-N395 PolarHBondContact O-N 2.92Å; H393-Y396 PolarHBondContact O-N 3.26Å
394L64.9Low73.4Confident145 Ų145128.7 Ų128.776%0.75966%0.664SS**THydrogen-bonded Turntrans-61.4125.1171-74150.9000107.6P392P392-L394 HydrophobicContact CB-CD1 4.07Å; P392-L394 HydrophobicContact CB-CG 4.21Å; P392-L394 PolarHBondContact O-N 3.4Å
395N64.1Low72.2Confident162 Ų162132.8 Ų132.887%0.86668%0.675SS**THydrogen-bonded Turntrans91.212.4-174.1-47-35.8000117.3H393 R397H393-N395 PolarHBondContact O-N 2.92Å; N395-R397 PolarHBondContact O-N 3.37Å
396Y59Low71.1Confident174 Ų174132.2 Ų132.268%0.68269%0.689SS**  trans-67.5104.4162.7-172.4-97.3000109.8H393H393-Y396 PolarHBondContact O-N 3.26Å
397R61.6Low69.8Low216 Ų216135.6 Ų135.682%0.81570%0.699SS**PPolyproline II helixtrans-84.3120.4165.9-67.8-173.9-176.9177.61.8107.3N395N395-R397 PolarHBondContact O-N 3.37Å
398P67.9Low68.4Low92 Ų92138.7 Ų138.760%0.59772%0.715SS**PPolyproline II helixtrans-53.9139.1171.921.9-30.5000108.7E400P398-E400 PolarHBondContact O-N 2.64Å
399P68.8Low67.1Low105 Ų105140 Ų14068%0.68273%0.726SS**PPolyproline II helixtrans-55.6117.8178.319.9-29.6000108.6S401P399-S401 PolarHBondContact O-N 3.32Å
400E68.8Low65.9Low163 Ų163137.4 Ų137.476%0.76273%0.728SS**PPolyproline II helixtrans-59.1133.7175.5-73.3-179.5177.900108.1P398 F402P398-E400 PolarHBondContact O-N 2.64Å; E400-F402 WeakPolarHBondContact O-CD2 3.33Å; E400-F402 PolarHBondContact O-N 2.9Å
401S74.5Confident65Low85 Ų85134.3 Ų134.359%0.59472%0.724SS**  trans-64.7113.6178.762.80000108.8P399 K403P399-S401 PolarHBondContact O-N 3.32Å; S401-K403 PolarHBondContact O-N 3.28Å
402F66.3Low64.6Low203 Ų203139.7 Ų139.789%0.8974%0.744SS**  trans-70.317167.4-70.5-87.6000112.8E400E400-F402 WeakPolarHBondContact O-CD2 3.33Å; E400-F402 PolarHBondContact O-N 2.9Å
403K68.2Low64.1Low166 Ų166140 Ų14072%0.72275%0.745SS**SBendtrans-66.9127.2168.9-80.8-174.6174.8-179.70107S401 H405S401-K403 PolarHBondContact O-N 3.28Å; K403-H405 PolarHBondContact O-N 3.15Å
404P63.4Low64Low123 Ų123138.5 Ų138.580%0.79975%0.748SS**PPolyproline II helixtrans-53.8123.4172.422.7-31.2000107.1G406P404-G406 PolarHBondContact O-N 2.86Å
405H59.5Low64.7Low154 Ų154140 Ų14071%0.71375%0.749SS**PPolyproline II helixtrans-52.3132.1176-85.960.5000107K403 Q407K403-H405 PolarHBondContact O-N 3.15Å; H405-Q407 HydrophobicContact CB-CB 4.39Å; H405-Q407 PolarHBondContact O-N 3.4Å
406G60.6Low65.3Low86 Ų86138.5 Ų138.589%0.88774%0.741SS**SBendtrans-65.224.9175.100000113.6P404 V408P404-G406 PolarHBondContact O-N 2.86Å; G406-V408 PolarHBondContact O-N 2.98Å
407Q55.1Low66.2Low156 Ų156134.8 Ų134.873%0.72973%0.733SS**  trans-71.8111.2166.7-154.5172.117.500106.1H405 T409H405-Q407 HydrophobicContact CB-CB 4.39Å; H405-Q407 PolarHBondContact O-N 3.4Å; Q407-T409 VanDerWaalsContact C-N 3.3Å; Q407-T409 PolarHBondContact O-N 2.92Å
408V54.1Low67.1Low135 Ų135126.8 Ų126.882%0.81871%0.713SS**  trans-51.7101.5170.71800000106.4G406 A410G406-V408 PolarHBondContact O-N 2.98Å; V408-A410 VanDerWaalsContact C-N 3.27Å; V408-A410 PolarHBondContact O-N 2.82Å
409T57.1Low67.7Low114 Ų114126 Ų12670%0.69971%0.707SS**  trans-70.399.1171.4-53.70000103.6Q407 N411Q407-T409 VanDerWaalsContact C-N 3.3Å; Q407-T409 PolarHBondContact O-N 2.92Å; T409-N411 PolarHBondContact O-N 3.12Å
410A57.6Low68.2Low81 Ų81127 Ų12767%0.66971%0.706SS**  trans-64.388.6173.500000106.7V408 Q412V408-A410 VanDerWaalsContact C-N 3.27Å; V408-A410 PolarHBondContact O-N 2.82Å; A410-Q412 PolarHBondContact O-N 3.25Å
411N60.4Low68.6Low126 Ų126126.7 Ų126.767%0.67470%0.699SS**  trans-56.8110167.6-74.4-24000105.9T409 T413T409-N411 PolarHBondContact O-N 3.12Å; N411-T413 PolarHBondContact O-N 2.95Å; N411-T413 VanDerWaalsContact O-N 3.11Å
412Q69.7Low68.7Low192 Ų192130.4 Ų130.490%0.89770%0.7SS**  trans-70-0.4179-66.2-175.1-10.400112.4A410 P414A410-Q412 PolarHBondContact O-N 3.25Å; Q412-P414 WeakPolarHBondContact O-CD 3.44Å
413T68.9Low69.3Low108 Ų108126.7 Ų126.766%0.66369%0.687SS**SBendtrans-84.5118.417442.90000109.8N411 F415N411-T413 PolarHBondContact O-N 2.95Å; N411-T413 VanDerWaalsContact O-N 3.11Å; T413-F415 PolarHBondContact O-N 2.84Å
414P74.2Confident69.8Low123 Ų123124.7 Ų124.780%0.79968%0.68SS**PPolyproline II helixtrans-55.2139.7172.2-22.733.3000110.7Q412 D416Q412-P414 WeakPolarHBondContact O-CD 3.44Å; P414-D416 PolarHBondContact O-N 3.01Å
415F78Confident70.5Confident175 Ų175126.3 Ų126.377%0.76867%0.671SS**PPolyproline II helixtrans-66.3122.7174.3176.8-112.6000109.7T413 D417T413-F415 PolarHBondContact O-N 2.84Å; F415-D417 HydrophobicContact CD1-CB 3.74Å; F415-D417 HydrophobicContact CE1-CB 3.52Å; F415-D417 WeakPolarHBondContact CE1-OD1 3.36Å; F415-D417 PolarHBondContact O-N 3.48Å
416D78.6Confident71.3Confident131 Ų131122.8 Ų122.870%0.70166%0.661SS**  trans-83.692.3173.7-170.58.5000109.8P414 A418P414-D416 PolarHBondContact O-N 3.01Å; D416-A418 PolarHBondContact O-N 3.21Å; D416-A418 WeakPolarHBondContact OD1-CB 3.39Å; D416-A418 PolarHBondContact OD1-N 2.82Å
417D77.6Confident72.1Confident96 Ų96124.3 Ų124.351%0.51366%0.655SS.*  trans-84.114.6176.8-16021.5000112.5F415 T419F415-D417 HydrophobicContact CD1-CB 3.74Å; F415-D417 HydrophobicContact CE1-CB 3.52Å; F415-D417 WeakPolarHBondContact CE1-OD1 3.36Å; F415-D417 PolarHBondContact O-N 3.48Å; D417-T419 PolarHBondContact O-N 3.27Å
418A79.8Confident73.2Confident49 Ų49124.2 Ų124.241%0.40565%0.652SS.*  trans-74.895.5178.500000110.8D416 M423D416-A418 PolarHBondContact O-N 3.21Å; D416-A418 WeakPolarHBondContact OD1-CB 3.39Å; D416-A418 PolarHBondContact OD1-N 2.82Å; A418-M423 HydrophobicContact CB-CG 4.32Å; A418-M423 HydrophobicContact CB-SD 4.31Å
419T80.1Confident74.2Confident74 Ų74124.6 Ų124.645%0.45465%0.645SS.*  trans-76.7146.1164.761.70000110.3D417 Y421 R422 M423D417-T419 PolarHBondContact O-N 3.27Å; T419-Y421 PolarHBondContact O-N 2.69Å; T419-Y421 VanDerWaalsContact O-N 3.14Å; T419-R422 PolarHBondContact O-N 2.93Å; T419-R422 WeakPolarHBondContact OG1-CB 3.24Å; T419-R422 PolarHBondContact OG1-N 3.47Å; T419-M423 PolarHBondContact O-N 3.12Å; T419-M423 VanDerWaalsContact O-N 3.12Å
420L80.7Confident74.8Confident128 Ų128126.1 Ų126.167%0.6765%0.648SS**Hα-helixtrans-49.8-39.9172.5-76.2168.4000111.5R422 M423 E424L420-R422 PolarHBondContact O-N 3.07Å; L420-M423 PolarHBondContact O-N 3.02Å; L420-E424 WeakPolarHBondContact O-CB 3.48Å; L420-E424 WeakPolarHBondContact O-CG 3.4Å; L420-E424 PolarHBondContact O-N 2.82Å
421Y76.7Confident75.6Confident155 Ų155129.4 Ų129.461%0.60865%0.649SS**Hα-helixtrans-61-45.9176.8-170.9-92000112.6T419 M423 E424 Y425T419-Y421 PolarHBondContact O-N 2.69Å; T419-Y421 VanDerWaalsContact O-N 3.14Å; Y421-M423 VanDerWaalsContact C-N 3.26Å; Y421-M423 PolarHBondContact O-N 3.14Å; Y421-E424 PolarHBondContact O-N 3.12Å; Y421-Y425 AromaticContact CD2-CD2 3.51Å; Y421-Y425 HydrophobicContact CD2-CD2 3.51Å; Y421-Y425 AromaticContact CD2-CE2 3.72Å; Y421-Y425 HydrophobicContact CD2-CE2 3.72Å; Y421-Y425 HydrophobicContact CD2-CG 4.23Å; Y421-Y425 HydrophobicContact CE1-CG 4.38Å; Y421-Y425 HydrophobicContact CE2-CD1 4.27Å; Y421-Y425 AromaticContact CE2-CD2 3.5Å; Y421-Y425 HydrophobicContact CE2-CD2 3.5Å; Y421-Y425 HydrophobicContact CE2-CE1 4.37Å; Y421-Y425 AromaticContact CE2-CE2 3.64Å; Y421-Y425 HydrophobicContact CE2-CE2 3.64Å; Y421-Y425 AromaticContact CE2-CG 3.84Å; Y421-Y425 HydrophobicContact CE2-CG 3.84Å; Y421-Y425 HydrophobicContact CG-CD2 4.07Å; Y421-Y425 AromaticContact CZ-CG 3.92Å; Y421-Y425 WeakPolarHBondContact O-CB 3.36Å; Y421-Y425 PolarHBondContact O-N 3.21Å
422R77.1Confident76.4Confident163 Ų163127 Ų12762%0.61564%0.64SS**Hα-helixtrans-64.5-30.4178.4-173.3176.1174.3125.81.7112.4T419 L420T419-R422 PolarHBondContact O-N 2.93Å; T419-R422 WeakPolarHBondContact OG1-CB 3.24Å; T419-R422 PolarHBondContact OG1-N 3.47Å; L420-R422 PolarHBondContact O-N 3.07Å
423M77.6Confident77Confident126 Ų126118.7 Ų118.762%0.62160%0.603SS**Hα-helixtrans-80.7-39.7176.7-61.5-135.6-58.600113A418 T419 L420 Y421A418-M423 HydrophobicContact CB-CG 4.32Å; A418-M423 HydrophobicContact CB-SD 4.31Å; T419-M423 PolarHBondContact O-N 3.12Å; T419-M423 VanDerWaalsContact O-N 3.12Å; L420-M423 PolarHBondContact O-N 3.02Å; Y421-M423 VanDerWaalsContact C-N 3.26Å; Y421-M423 PolarHBondContact O-N 3.14Å
424E78.6Confident77.7Confident124 Ų124115.3 Ų115.358%0.57958%0.583SS**Hα-helixtrans-81.9-32.9-176.1-70.7-177.8178.200113.4L420 Y421 T426L420-E424 WeakPolarHBondContact O-CB 3.48Å; L420-E424 WeakPolarHBondContact O-CG 3.4Å; L420-E424 PolarHBondContact O-N 2.82Å; Y421-E424 PolarHBondContact O-N 3.12Å; E424-T426 PolarHBondContact O-N 3.5Å
425Y77.6Confident78Confident156 Ų156109.7 Ų109.761%0.61255%0.547SS*.  trans-99.558.3-178.2-72.6-97.8000111.9Y421Y421-Y425 AromaticContact CD2-CD2 3.51Å; Y421-Y425 HydrophobicContact CD2-CD2 3.51Å; Y421-Y425 AromaticContact CD2-CE2 3.72Å; Y421-Y425 HydrophobicContact CD2-CE2 3.72Å; Y421-Y425 HydrophobicContact CD2-CG 4.23Å; Y421-Y425 HydrophobicContact CE1-CG 4.38Å; Y421-Y425 HydrophobicContact CE2-CD1 4.27Å; Y421-Y425 AromaticContact CE2-CD2 3.5Å; Y421-Y425 HydrophobicContact CE2-CD2 3.5Å; Y421-Y425 HydrophobicContact CE2-CE1 4.37Å; Y421-Y425 AromaticContact CE2-CE2 3.64Å; Y421-Y425 HydrophobicContact CE2-CE2 3.64Å; Y421-Y425 AromaticContact CE2-CG 3.84Å; Y421-Y425 HydrophobicContact CE2-CG 3.84Å; Y421-Y425 HydrophobicContact CG-CD2 4.07Å; Y421-Y425 AromaticContact CZ-CG 3.92Å; Y421-Y425 WeakPolarHBondContact O-CB 3.36Å; Y421-Y425 PolarHBondContact O-N 3.21Å
426T77.2Confident78.1Confident81 Ų81104.6 Ų104.650%0.49753%0.533SS..  trans-87.1147.2167.651.10000110.6E424 K428E424-T426 PolarHBondContact O-N 3.5Å; T426-K428 PolarHBondContact O-N 3.49Å
427P77.8Confident78.2Confident117 Ų117100.6 Ų100.676%0.7651%0.511SS*.  trans-60.3110.3178.321.2-30.1000110.4
428K77Confident78.3Confident155 Ų15596.8 Ų96.867%0.67449%0.491SS*.  trans-82.4122.6178.5-60-176.8-175.5177.30109T426 L430T426-K428 PolarHBondContact O-N 3.49Å; K428-L430 PolarHBondContact O-N 3.35Å; K428-L430 VanDerWaalsContact O-N 3.16Å
429H75.9Confident78.1Confident143 Ų143101.8 Ų101.866%0.66251%0.511SS*.  trans-67.8111.3173.5-174.3-100.1000109.6E431H429-E431 IonicContact CE1-OE1 2.73Å; H429-E431 PolarHBondContact CE1-OE1 2.85Å; H429-E431 IonicContact ND1-OE1 2.92Å
430L70.9Confident77.5Confident145 Ų145101.3 Ų101.376%0.75951%0.508SS*.  trans-100.2110.8175.3-60.8-179.5000108.9K428K428-L430 PolarHBondContact O-N 3.35Å; K428-L430 VanDerWaalsContact O-N 3.16Å
431E74.4Confident77.1Confident151 Ų15199.5 Ų99.571%0.70652%0.52SS*.PPolyproline II helixtrans-60.1128173.6-74.5-69.6162.600110.5H429H429-E431 IonicContact CE1-OE1 2.73Å; H429-E431 PolarHBondContact CE1-OE1 2.85Å; H429-E431 IonicContact ND1-OE1 2.92Å
432P77Confident77Confident75 Ų7598.7 Ų98.749%0.48753%0.526SS..PPolyproline II helixtrans-56.7140.7177-23.332.2000111.6L437P432-L437 HydrophobicContact CB-CD1 4.35Å; P432-L437 HydrophobicContact CB-CD2 4.37Å; P432-L437 HydrophobicContact CB-CG 4.37Å
433C81.7Confident77.1Confident17 Ų1792.4 Ų92.412%0.11551%0.507CS..PPolyproline II helixtrans-58.5128.8176.8177.60000110.1N15 C16 A435 S436 L437N15-C433 PolarHBondContact N-SG 3.04Å; N15-C433 VanDerWaalsContact N-SG 3.38Å; C16-C433 HydrophobicContact CB-CB 3.95Å; C16-C433 PolarHBondContact SG-SG 2.92Å; C433-A435 PolarHBondContact O-N 3.46Å; C433-A435 VanDerWaalsContact O-N 3.09Å; C433-S436 WeakPolarHBondContact O-CA 3.46Å; C433-S436 VanDerWaalsContact O-CB 3.25Å; C433-S436 WeakPolarHBondContact O-CB 3.29Å; C433-S436 PolarHBondContact O-N 2.82Å; C433-L437 PolarHBondContact O-N 3.02Å
434P82.6Confident77.3Confident37 Ų3793.7 Ų93.724%0.2451%0.509CS..THydrogen-bonded Turntrans-60.6-28.6-176.94.4-6.6000112.6I13 S436 L437 Y445I13-P434 HydrophobicContact CG2-CB 3.83Å; I13-P434 HydrophobicContact CG2-CG 4.38Å; I13-P434 WeakPolarHBondContact O-CG 3.47Å; P434-S436 VanDerWaalsContact C-N 3.34Å; P434-S436 PolarHBondContact O-N 2.67Å; P434-L437 PolarHBondContact O-N 3.36Å; P434-Y445 HydrophobicContact CB-CE2 4.12Å
435A81.2Confident77.5Confident6 Ų690 Ų905%0.0549%0.49CS..THydrogen-bonded Turntrans-66.3-29.9172.600000114.1I10 I13 C14 H19 C433 L437 L438I10-A435 HydrophobicContact CG1-CB 4.38Å; I13-A435 HydrophobicContact CG2-CB 4.33Å; C14-A435 HydrophobicContact CB-CB 3.81Å; H19-A435 HydrophobicContact CB-CB 3.91Å; C433-A435 PolarHBondContact O-N 3.46Å; C433-A435 VanDerWaalsContact O-N 3.09Å; A435-L437 PolarHBondContact O-N 3.19Å; A435-L438 HydrophobicContact CB-CD1 4.19Å; A435-L438 WeakPolarHBondContact O-CD1 3.2Å; A435-L438 WeakPolarHBondContact O-CG 3.38Å; A435-L438 PolarHBondContact O-N 3.41Å
436S80.3Confident77.8Confident67 Ų6785.7 Ų85.747%0.46948%0.48SS..THydrogen-bonded Turntrans-70.9-25.8175.3-172.60000111.8C433 P434C433-S436 WeakPolarHBondContact O-CA 3.46Å; C433-S436 VanDerWaalsContact O-CB 3.25Å; C433-S436 WeakPolarHBondContact O-CB 3.29Å; C433-S436 PolarHBondContact O-N 2.82Å; P434-S436 VanDerWaalsContact C-N 3.34Å; P434-S436 PolarHBondContact O-N 2.67Å
437L81.2Confident78.1Confident47 Ų4787.2 Ų87.225%0.24648%0.477CS..THydrogen-bonded Turntrans-84.2-9.9-178.3-63.5174.8000112.5P432 C433 P434 A435 N439 T440 S443P432-L437 HydrophobicContact CB-CD1 4.35Å; P432-L437 HydrophobicContact CB-CD2 4.37Å; P432-L437 HydrophobicContact CB-CG 4.37Å; C433-L437 PolarHBondContact O-N 3.02Å; P434-L437 PolarHBondContact O-N 3.36Å; A435-L437 PolarHBondContact O-N 3.19Å; L437-N439 PolarHBondContact O-N 2.62Å; L437-N439 VanDerWaalsContact O-N 3.07Å; L437-T440 VanDerWaalsContact CA-OG1 3.25Å; L437-T440 WeakPolarHBondContact CA-OG1 3.46Å; L437-T440 CarbonylContact O-C 3.53Å; L437-T440 PolarHBondContact O-N 3.18Å; L437-T440 PolarHBondContact O-OG1 2.97Å; L437-S443 WeakPolarHBondContact O-CB 3.4Å
438L79.4Confident78.3Confident16 Ų1683.6 Ų83.68%0.08446%0.455CS..THydrogen-bonded Turntrans-56.7-31.4-171.4-67.2170.4000114.5I10 I13 A435 Y445 Y458I10-L438 HydrophobicContact CD1-CD1 3.96Å; I10-L438 HydrophobicContact CG1-CD1 3.53Å; I13-L438 HydrophobicContact CD1-CD2 4.36Å; I13-L438 HydrophobicContact CG2-CD2 4.47Å; A435-L438 HydrophobicContact CB-CD1 4.19Å; A435-L438 WeakPolarHBondContact O-CD1 3.2Å; A435-L438 WeakPolarHBondContact O-CG 3.38Å; A435-L438 PolarHBondContact O-N 3.41Å; L438-Y445 HydrophobicContact CD2-CD2 4.33Å; L438-Y445 HydrophobicContact CD2-CG 4.29Å; L438-Y458 HydrophobicContact CB-CE1 4.07Å; L438-Y458 HydrophobicContact CD1-CD1 4.5Å; L438-Y458 HydrophobicContact CD1-CD2 4.31Å; L438-Y458 HydrophobicContact CD1-CE1 4.03Å; L438-Y458 HydrophobicContact CD1-CE2 3.81Å; L438-Y458 HydrophobicContact CD2-CD1 3.72Å; L438-Y458 HydrophobicContact CD2-CE1 3.81Å; L438-Y458 HydrophobicContact CD2-CG 4.14Å; L438-Y458 HydrophobicContact CG-CE1 4.18Å
439N74.3Confident78.6Confident154 Ų15480 Ų8082%0.82444%0.441SS*.THydrogen-bonded Turntrans-98.1-12.5-179-62.9-20.5000113.7L437L437-N439 PolarHBondContact O-N 2.62Å; L437-N439 VanDerWaalsContact O-N 3.07Å
440T68.5Low78.9Confident65 Ų6576.6 Ų76.640%0.39943%0.43SS..SBendtrans-95.4123.9173.656.40000105.9L437 L442 S443L437-T440 VanDerWaalsContact CA-OG1 3.25Å; L437-T440 WeakPolarHBondContact CA-OG1 3.46Å; L437-T440 CarbonylContact O-C 3.53Å; L437-T440 PolarHBondContact O-N 3.18Å; L437-T440 PolarHBondContact O-OG1 2.97Å; T440-L442 PolarHBondContact O-N 3.36Å; T440-S443 PolarHBondContact O-N 2.94Å
441G72.7Confident79.2Confident89 Ų8971.6 Ų71.692%0.91841%0.407SS*.THydrogen-bonded Turntrans-54.68.9-171.900000118.5
442L74.4Confident79.2Confident139 Ų13972.7 Ų72.773%0.72842%0.417SS*.THydrogen-bonded Turntrans-85.62.3171.8-54176.2000113.9T440T440-L442 PolarHBondContact O-N 3.36Å
443S78.5Confident79Confident30 Ų3073 Ų7321%0.2142%0.418CS..  trans-73.1139.8-179.4680000113L437 T440 Y445L437-S443 WeakPolarHBondContact O-CB 3.4Å; T440-S443 PolarHBondContact O-N 2.94Å; S443-Y445 PolarHBondContact O-N 2.76Å; S443-Y445 PolarHBondContact OG-O 2.82Å
444K81.8Confident78.5Confident153 Ų15373.4 Ų73.467%0.66543%0.425SS*.SBendtrans-79.31.8168.3-62.4-176.9-178.2178.90112.9R460 A461K444-R460 WeakPolarHBondContact O-CA 3.41Å; K444-A461 PolarHBondContact O-N 2.85Å
445Y83.5Confident78.3Confident46 Ų4673 Ų7318%0.1842%0.42CS..EExtended strand (participates in β ladder)trans-127119.4-170-67.9-75.2000109.1L8 I13 P434 L438 S443 R459 R460L8-Y445 HydrophobicContact CD1-CE1 4.02Å; I13-Y445 HydrophobicContact CD1-CD1 4.1Å; I13-Y445 HydrophobicContact CD1-CD2 4.44Å; I13-Y445 HydrophobicContact CD1-CG 4.07Å; I13-Y445 HydrophobicContact CG1-CD1 4.42Å; I13-Y445 HydrophobicContact CG1-CE1 4.34Å; I13-Y445 HydrophobicContact CG1-CE2 4.47Å; I13-Y445 HydrophobicContact CG2-CD2 3.68Å; I13-Y445 HydrophobicContact CG2-CE2 3.6Å; I13-Y445 HydrophobicContact CG2-CG 4.37Å; P434-Y445 HydrophobicContact CB-CE2 4.12Å; L438-Y445 HydrophobicContact CD2-CD2 4.33Å; L438-Y445 HydrophobicContact CD2-CG 4.29Å; S443-Y445 PolarHBondContact O-N 2.76Å; S443-Y445 PolarHBondContact OG-O 2.82Å; Y445-R459 CarbonylContact C-O 3.57Å; Y445-R459 WeakPolarHBondContact CA-O 3.29Å; Y445-R460 HydrophobicContact CE1-CB 4.47Å
446V82.8Confident78.3Confident67 Ų6776.9 Ų76.941%0.40644%0.437SS..EExtended strand (participates in β ladder)trans-99.4134.1177.9-178.80000108.2S448 Y458 R459 A461V446-S448 PolarHBondContact O-N 2.89Å; V446-Y458 CarbonylContact O-C 3.55Å; V446-Y458 VanDerWaalsContact O-CA 3.31Å; V446-Y458 WeakPolarHBondContact O-CA 3.46Å; V446-R459 HydrophobicContact CB-CG 4.41Å; V446-R459 PolarHBondContact N-O 3.37Å; V446-R459 PolarHBondContact O-N 3.12Å; V446-A461 HydrophobicContact CG2-CB 3.97Å
447Y83.9Confident78.5Confident112 Ų11274.9 Ų74.944%0.43942%0.421SS..EExtended strand (participates in β ladder)trans-57.3133.1173.7173.9-97.7000110.1T450 Q456 Y458Y447-T450 PolarHBondContact OH-N 3.21Å; Y447-T450 PolarHBondContact OH-OG1 2.84Å; Y447-Q456 HydrophobicContact CD2-CB 4.47Å; Y447-Q456 HydrophobicContact CE2-CB 4.2Å; Y447-Q456 HydrophobicContact CE2-CG 4.2Å; Y447-Y458 HydrophobicContact CD2-CE1 4.4Å
448S83Confident78.6Confident42 Ų4273 Ų7329%0.29441%0.411SS..EExtended strand (participates in β ladder)trans-111.5-58.5-177.560.10000111.9V446 I457V446-S448 PolarHBondContact O-N 2.89Å; S448-I457 PolarHBondContact N-O 3.24Å; S448-I457 VanDerWaalsContact OG-C 3.3Å; S448-I457 WeakPolarHBondContact OG-CG2 3.49Å; S448-I457 PolarHBondContact OG-O 3.04Å
449E82.9Confident78.9Confident80 Ų8079 Ų7937%0.37443%0.432SS..EExtended strand (participates in β ladder)trans-157.9162-17564.4-164.1174.400110K7 I457K7-E449 WeakPolarHBondContact CD-OE1 3.49Å; K7-E449 WeakPolarHBondContact CE-OE1 3.41Å; K7-E449 IonicContact NZ-OE1 3.26Å; K7-E449 PolarHBondContact NZ-OE1 2.95Å; K7-E449 IonicContact NZ-OE2 2.73Å; E449-I457 HydrophobicContact CG-CB 4.04Å; E449-I457 HydrophobicContact CG-CD1 3.94Å; E449-I457 HydrophobicContact CG-CG1 4.45Å; E449-I457 HydrophobicContact CG-CG2 4.5Å; E449-I457 PolarHBondContact N-O 2.79Å; E449-I457 WeakPolarHBondContact O-CB 3.46Å; E449-I457 PolarHBondContact O-N 2.9Å
450T82Confident79.1Confident70 Ų7079.1 Ų79.143%0.42942%0.421SS..EExtended strand (participates in β ladder)trans-103121.7165.5-64.70000107.2Y447 H455Y447-T450 PolarHBondContact OH-N 3.21Å; Y447-T450 PolarHBondContact OH-OG1 2.84Å; T450-H455 CarbonylContact C-O 3.55Å; T450-H455 VanDerWaalsContact CA-O 3.32Å; T450-H455 WeakPolarHBondContact CA-O 3.28Å
451S77.3Confident79.2Confident40 Ų4078 Ų7828%0.2842%0.419SS..  trans-62.9152.8174.9-179.40000110.9T453 G454 H455S451-T453 PolarHBondContact O-N 3.05Å; S451-T453 PolarHBondContact OG-OG1 3.22Å; S451-G454 WeakPolarHBondContact O-CA 3.37Å; S451-G454 PolarHBondContact O-N 2.87Å; S451-H455 PolarHBondContact N-O 3.47Å
452D75.2Confident78.7Confident174 Ų17478.5 Ų78.593%0.9341%0.408SS*.THydrogen-bonded Turntrans-53.3-22.7174-58.1-25.5000113.6G454D452-G454 VanDerWaalsContact C-N 3.3Å
453T71.9Confident77.6Confident83 Ų8379.9 Ų79.951%0.50942%0.416SS..THydrogen-bonded Turntrans-89.110.8175.866.50000113.6H23 S451 H455H23-T453 WeakPolarHBondContact CB-O 3.46Å; S451-T453 PolarHBondContact O-N 3.05Å; S451-T453 PolarHBondContact OG-OG1 3.22Å; T453-H455 PolarHBondContact OG1-CD2 3.13Å
454G72.2Confident75.9Confident25 Ų2582.9 Ų82.926%0.25844%0.437SS..SBendtrans78.616.2178.400000115.1S451 D452S451-G454 WeakPolarHBondContact O-CA 3.37Å; S451-G454 PolarHBondContact O-N 2.87Å; D452-G454 VanDerWaalsContact C-N 3.3Å
455H76.8Confident74Confident28 Ų2880.9 Ų80.913%0.1344%0.443CS..  trans-83.7125175.1-68.2-57.6000111.6C21 T450 S451 T453 I457C21-H455 PolarHBondContact SG-ND1 3.48Å; T450-H455 CarbonylContact C-O 3.55Å; T450-H455 VanDerWaalsContact CA-O 3.32Å; T450-H455 WeakPolarHBondContact CA-O 3.28Å; S451-H455 PolarHBondContact N-O 3.47Å; T453-H455 PolarHBondContact OG1-CD2 3.13Å; H455-I457 PolarHBondContact O-N 3.08Å
456Q82.1Confident71.8Confident88 Ų8884 Ų8441%0.41147%0.471SS..EExtended strand (participates in β ladder)trans-74.2115.9166.1-67.8-179.8-8.400109.4C9 Y447 Y458C9-Q456 WeakPolarHBondContact CA-O 3.48Å; Y447-Q456 HydrophobicContact CD2-CB 4.47Å; Y447-Q456 HydrophobicContact CE2-CB 4.2Å; Y447-Q456 HydrophobicContact CE2-CG 4.2Å; Q456-Y458 HydrophobicContact CB-CE2 3.94Å; Q456-Y458 PolarHBondContact OE1-OH 3.35Å
457I84Confident70Confident25 Ų2586.6 Ų86.613%0.12849%0.489CS..EExtended strand (participates in β ladder)trans-101.6129.9-178-60.7175.7000108.9K7 S448 E449 H455K7-I457 HydrophobicContact CB-CG2 3.52Å; K7-I457 HydrophobicContact CD-CG2 4.25Å; K7-I457 HydrophobicContact CG-CG2 3.94Å; S448-I457 PolarHBondContact N-O 3.24Å; S448-I457 VanDerWaalsContact OG-C 3.3Å; S448-I457 WeakPolarHBondContact OG-CG2 3.49Å; S448-I457 PolarHBondContact OG-O 3.04Å; E449-I457 HydrophobicContact CG-CB 4.04Å; E449-I457 HydrophobicContact CG-CD1 3.94Å; E449-I457 HydrophobicContact CG-CG1 4.45Å; E449-I457 HydrophobicContact CG-CG2 4.5Å; E449-I457 PolarHBondContact N-O 2.79Å; E449-I457 WeakPolarHBondContact O-CB 3.46Å; E449-I457 PolarHBondContact O-N 2.9Å; H455-I457 PolarHBondContact O-N 3.08Å
458Y84.7Confident67.6Low8 Ų887.7 Ų87.73%0.03151%0.508CS..EExtended strand (participates in β ladder)trans-113.6145.8175.3-56.6-101000110.9L8 I10 I13 L438 V446 Y447 Q456L8-Y458 PolarHBondContact N-O 2.8Å; L8-Y458 PolarHBondContact O-N 2.69Å; I10-Y458 HydrophobicContact CB-CE2 4.3Å; I10-Y458 HydrophobicContact CG1-CE2 4.25Å; I13-Y458 HydrophobicContact CD1-CD2 3.67Å; I13-Y458 HydrophobicContact CD1-CG 3.85Å; L438-Y458 HydrophobicContact CB-CE1 4.07Å; L438-Y458 HydrophobicContact CD1-CD1 4.5Å; L438-Y458 HydrophobicContact CD1-CD2 4.31Å; L438-Y458 HydrophobicContact CD1-CE1 4.03Å; L438-Y458 HydrophobicContact CD1-CE2 3.81Å; L438-Y458 HydrophobicContact CD2-CD1 3.72Å; L438-Y458 HydrophobicContact CD2-CE1 3.81Å; L438-Y458 HydrophobicContact CD2-CG 4.14Å; L438-Y458 HydrophobicContact CG-CE1 4.18Å; V446-Y458 CarbonylContact O-C 3.55Å; V446-Y458 VanDerWaalsContact O-CA 3.31Å; V446-Y458 WeakPolarHBondContact O-CA 3.46Å; Y447-Y458 HydrophobicContact CD2-CE1 4.4Å; Q456-Y458 HydrophobicContact CB-CE2 3.94Å; Q456-Y458 PolarHBondContact OE1-OH 3.35Å
459R84.2Confident65.3Low141 Ų14191.7 Ų91.753%0.53253%0.526SS..EExtended strand (participates in β ladder)trans-108.6146170.863.5-178.1-179.8166.11.6109.5Y445 V446 A461Y445-R459 CarbonylContact C-O 3.57Å; Y445-R459 WeakPolarHBondContact CA-O 3.29Å; V446-R459 HydrophobicContact CB-CG 4.41Å; V446-R459 PolarHBondContact N-O 3.37Å; V446-R459 PolarHBondContact O-N 3.12Å; R459-A461 PolarHBondContact O-N 2.87Å
460R79.4Confident63.1Low156 Ų15695.8 Ų95.859%0.58955%0.55SS**EExtended strand (participates in β ladder)trans-66.6128.8173.5-163.2170.6176.9171.2-2.8108.9K444 Y445 S462K444-R460 WeakPolarHBondContact O-CA 3.41Å; Y445-R460 HydrophobicContact CE1-CB 4.47Å; R460-S462 PolarHBondContact O-N 3.12Å
461A70.9Confident61.1Low43 Ų43100.3 Ų100.336%0.35557%0.566SS.*PPolyproline II helixtrans-60.3125.6174.400000108.6K444 V446 R459K444-A461 PolarHBondContact O-N 2.85Å; V446-A461 HydrophobicContact CG2-CB 3.97Å; R459-A461 PolarHBondContact O-N 2.87Å
462S61.6Low59.2Low99 Ų99107.7 Ų107.769%0.69259%0.59SS**PPolyproline II helixtrans-68.3133.3173.147.90000109.4R460 S464R460-S462 PolarHBondContact O-N 3.12Å; S462-S464 VanDerWaalsContact C-N 3.28Å; S462-S464 PolarHBondContact O-N 3.31Å
463D51.6Low57.4Low168 Ų168104 Ų10490%0.89858%0.577SS**SBendtrans-64.180.3-179.6-59.7-50000111
464S42.4Very low56Low93 Ų93108.9 Ų108.965%0.6559%0.592SS**  trans-155.952.517769.70000112.9S462S462-S464 VanDerWaalsContact C-N 3.28Å; S462-S464 PolarHBondContact O-N 3.31Å
465S41.9Very low54.5Low111 Ų111115 Ų11578%0.77661%0.614SS**  trans174.995.7150.647.70000109P467S465-P467 VanDerWaalsContact O-CD 3.25Å; S465-P467 WeakPolarHBondContact O-CD 3.44Å
466S36.2Very low52.6Low111 Ų111122.9 Ų122.978%0.77665%0.65SS**  trans-61.5117165.445.20000109.8T468S466-T468 PolarHBondContact O-N 2.91Å
467P45.3Very low50.3Low121 Ų121124 Ų12479%0.78666%0.658SS**  trans-82.1109.5158.619.4-2.7000106.8S465 N469S465-P467 VanDerWaalsContact O-CD 3.25Å; S465-P467 WeakPolarHBondContact O-CD 3.44Å; P467-N469 PolarHBondContact O-N 2.88Å
468T34.7Very low48.1Very low136 Ų136130.5 Ų130.583%0.83469%0.691SS**  trans-56.2102.4160.344.90000108.6S466S466-T468 PolarHBondContact O-N 2.91Å
469N34.5Very low45.7Very low125 Ų125135.3 Ų135.367%0.66872%0.722SS**  trans-153.677.9158.6-141.1-5.8000110.8P467 Q471P467-N469 PolarHBondContact O-N 2.88Å; N469-Q471 PolarHBondContact O-N 3.14Å; N469-Q471 VanDerWaalsContact O-N 3.11Å
470D37Very low43.8Very low167 Ų167134.4 Ų134.489%0.89373%0.726SS**THydrogen-bonded Turntrans-8029.1-179.8-125.7-0.5000112.6
471Q39.7Very low42.2Very low164 Ų164132.1 Ų132.177%0.76673%0.732SS**THydrogen-bonded Turntrans-121.21.4-170.1-72.2-170.2-14.200116N469N469-Q471 PolarHBondContact O-N 3.14Å; N469-Q471 VanDerWaalsContact O-N 3.11Å
472Y36.7Very low41Very low195 Ų195136.3 Ų136.377%0.76575%0.748SS**SBendtrans-139.971-179.9-96.2-90.3000112.5
473S38.5Very low40.4Very low96 Ų96139.8 Ų139.867%0.67175%0.754SS**SBendtrans-142.79.4169.963.70000115.5
474K41.8Very low40.1Very low187 Ų187136.8 Ų136.881%0.81374%0.743SS**SBendtrans-110.38.7179.3-79.5-174.6177.5178.10116.4
475Q40.2Very low40.3Very low154 Ų154140.4 Ų140.472%0.7275%0.754SS**SBendtrans-1062.6-173.3-71.2-175.3-1200116.4
476H36.7Very low40.4Very low193 Ų193141.5 Ų141.589%0.89476%0.756SS**SBendtrans-130.419.5171.4-92.2-60.8000114.6I478H476-I478 PolarHBondContact O-N 3.37Å
477L34.8Very low41Very low110 Ų110142 Ų14258%0.57675%0.754SS**  trans-84.3109.4163.1-79.5152.8000107.4T479L477-T479 PolarHBondContact O-N 3.41Å
478I37Very low41Very low162 Ų162140.8 Ų140.883%0.83176%0.755SS**  trans-69.178.9161.9-57.9173.8000105.8H476 I480H476-I478 PolarHBondContact O-N 3.37Å; I478-I480 HydrophobicContact CG2-CG1 4.41Å; I478-I480 PolarHBondContact O-N 2.94Å
479T34.2Very low41.4Very low110 Ų110145.3 Ų145.368%0.67577%0.774SS**  trans-75.5100.4170.5-57.30000106.1L477 P481L477-T479 PolarHBondContact O-N 3.41Å; T479-P481 WeakPolarHBondContact O-CD 3.35Å
480I44.8Very low41.7Very low121 Ų121146.3 Ų146.362%0.62178%0.779SS**  trans-67.6118.5167.2-57.6173.4000106.1I478 N482I478-I480 HydrophobicContact CG2-CG1 4.41Å; I478-I480 PolarHBondContact O-N 2.94Å; I480-N482 PolarHBondContact O-N 2.83Å
481P44.9Very low41.9Very low108 Ų108145.2 Ų145.270%0.70177%0.773SS**  trans-71.8105.5175.628.2-29.1000108.2T479 E483T479-P481 WeakPolarHBondContact O-CD 3.35Å; P481-E483 VanDerWaalsContact C-N 3.29Å; P481-E483 PolarHBondContact O-N 3.38Å
482N46.5Very low42.1Very low132 Ų132144.2 Ų144.271%0.70677%0.773SS**  trans-84.578.2163-77-23.9000107.7I480I480-N482 PolarHBondContact O-N 2.83Å
483E49.9Very low42.4Very low172 Ų172141.2 Ų141.280%0.80477%0.774SS**  trans-78.6126.3162.9-104.1-175.616600108.8P481 L485P481-E483 VanDerWaalsContact C-N 3.29Å; P481-E483 PolarHBondContact O-N 3.38Å; E483-L485 PolarHBondContact O-N 3.28Å
484P44.2Very low42.6Very low104 Ų104144 Ų14468%0.67578%0.78SS**  trans-68.8117.4169.528-29.9000108.3T486P484-T486 VanDerWaalsContact C-N 3.28Å; P484-T486 PolarHBondContact O-N 3.05Å
485L47.1Very low42.7Very low170 Ų170141.1 Ų141.189%0.8978%0.778SS**  trans-62.491.6167.8-78.1160.5000108.6E483 V487E483-L485 PolarHBondContact O-N 3.28Å; L485-V487 PolarHBondContact O-N 3.03Å; L485-V487 VanDerWaalsContact O-N 3.1Å
486T44.2Very low42.9Very low133 Ų133140.2 Ų140.282%0.81678%0.782SS**  trans-66.3102.6162.341.70000107.8P484 A488P484-T486 VanDerWaalsContact C-N 3.28Å; P484-T486 PolarHBondContact O-N 3.05Å; T486-A488 PolarHBondContact O-N 3.02Å
487V47.7Very low43.3Very low122 Ų122136.2 Ų136.274%0.73977%0.774SS**  trans-66.7108.7167.1178.20000107.1L485 N489L485-V487 PolarHBondContact O-N 3.03Å; L485-V487 VanDerWaalsContact O-N 3.1Å; V487-N489 PolarHBondContact O-N 2.82Å
488A45.6Very low44Very low96 Ų96138.3 Ų138.379%0.79379%0.79SS**  trans-68.5121.2162.600000107.9T486T486-A488 PolarHBondContact O-N 3.02Å
489N42.6Very low44.7Very low230 Ų230136.2 Ų136.2100%1.2379%0.786SS**  trans-69.10168.4-81.6-28.7000111.6V487V487-N489 PolarHBondContact O-N 2.82Å

Retrieved 489 of 489 residues in 241.4 ms (Link to these results)