A0A096LWL9_POEFO Loading...

Cell division cycle associated 3

AlphaFold DB , UniProt , Accession A0A096LWL9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 391 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
1M52.5Low52.7Low250 Ų250145 Ų145100%1.23288%0.878SS**  0102.20-72.6-69.6-78.800107.4
2G49.5Very low52.4Low77 Ų77140.8 Ų140.879%0.79487%0.871SS**  trans172.777.7-174.200000110
3T50.2Low52.3Low140 Ų140142.2 Ų142.286%0.85987%0.869SS**  trans-78114.9175.743.10000109.4
4S56.3Low51.9Low117 Ų117138.6 Ų138.682%0.81886%0.861SS**  trans-99102.4167.754.30000109.3S6S4-S6 PolarHBondContact O-N 3.43Å
5E53.1Low52.2Low191 Ų191142 Ų14289%0.89386%0.858SS**  trans-65118.7167.6-63176136.100109.4
6S59.1Low52.5Low118 Ų118140.8 Ų140.883%0.82585%0.854SS**  trans-116.188.8170.9-172.70000110.2S4S4-S6 PolarHBondContact O-N 3.43Å
7K65.9Low52.7Low195 Ų195143.5 Ų143.585%0.84886%0.855SS**  trans30.498.4138.6-155.7167-174.6173.60116.9A9K7-A9 PolarHBondContact O-N 3.39Å
8M46.9Very low52.9Low193 Ų193141.5 Ų141.595%0.95185%0.847SS**  trans-61115.9157-67.8-95.5-17700108.9
9A47.9Very low53.3Low96 Ų96138.4 Ų138.479%0.79384%0.838SS**  trans-89134.2166.200000109.1K7K7-A9 PolarHBondContact O-N 3.39Å
10A47.1Very low53.7Low98 Ų98138.8 Ų138.881%0.8183%0.834SS**  trans-54.4147.8-172.600000114.5A12A10-A12 PolarHBondContact O-N 3.49Å; A10-A12 VanDerWaalsContact O-N 3.16Å
11S50.8Low54.3Low120 Ų120140.4 Ų140.484%0.83983%0.83SS**  trans-53.3114.5172.162.90000110.9
12A49.1Very low54.7Low95 Ų95137 Ų13779%0.78581%0.808SS**  trans-71.9127.3161.200000108.5A10 A14A10-A12 PolarHBondContact O-N 3.49Å; A10-A12 VanDerWaalsContact O-N 3.16Å; A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.09Å
13D51.1Low55.3Low159 Ų159137.7 Ų137.785%0.8580%0.797SS**  trans-40.9104.2174.5-149.9-2.9000112K15D13-K15 PolarHBondContact O-N 3.27Å
14A47.7Very low55.9Low91 Ų91138.9 Ų138.975%0.75279%0.793SS**  trans-7890.817800000108.9A12A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.09Å
15K56.4Low56.2Low190 Ų190138 Ų13883%0.82678%0.782SS**  trans-51.5125.3164.7-92.9175.3177.5172.20109.2D13 Q17D13-K15 PolarHBondContact O-N 3.27Å; K15-Q17 PolarHBondContact O-N 3.13Å
16P56.6Low56.6Low122 Ų122133.4 Ų133.479%0.79277%0.771SS**  trans-65.6111.4175.325.4-31000108.6P18P16-P18 WeakPolarHBondContact O-CD 3.21Å
17Q56.5Low56.8Low187 Ų187135.1 Ų135.187%0.87477%0.766SS**  trans-62.2122.7170.4-145.7-176.635.900107.3K15 A19K15-Q17 PolarHBondContact O-N 3.13Å; Q17-A19 PolarHBondContact O-N 3.42Å
18P55.8Low56.9Low108 Ų108132.4 Ų132.470%0.70176%0.76SS**  trans-66.2111.1179.324.1-30.2000108.3P16 I20P16-P18 WeakPolarHBondContact O-CD 3.21Å; P18-I20 VanDerWaalsContact C-N 3.32Å; P18-I20 PolarHBondContact O-N 3.21Å
19A60.5Low58Low83 Ų83130.4 Ų130.469%0.68675%0.751SS**  trans-6396.9169.100000107.6Q17 K21Q17-A19 PolarHBondContact O-N 3.42Å; A19-K21 PolarHBondContact O-N 3.14Å
20I61.9Low59.3Low146 Ų146129.3 Ų129.375%0.74973%0.732SS**  trans-66.890.2173.1-60.7169.4000106.5P18 K22P18-I20 VanDerWaalsContact C-N 3.32Å; P18-I20 PolarHBondContact O-N 3.21Å; I20-K22 PolarHBondContact O-N 3.27Å; I20-K22 VanDerWaalsContact O-N 3.09Å
21K65.7Low60.5Low172 Ų172130.5 Ų130.575%0.74873%0.732SS**  trans-64.7108.9172.8-64.1-179.6-177.4179.10106.7A19 T23A19-K21 PolarHBondContact O-N 3.14Å; K21-T23 HydrophobicContact CB-CG2 4.26Å; K21-T23 PolarHBondContact O-N 3.48Å; K21-T23 PolarHBondContact O-OG1 3.36Å
22K60.6Low61.6Low179 Ų179135.4 Ų135.478%0.77873%0.732SS**  trans-73.165174.8-64.2179.7-179.8176.80110I20 H24I20-K22 PolarHBondContact O-N 3.27Å; I20-K22 VanDerWaalsContact O-N 3.09Å; K22-H24 VanDerWaalsContact C-N 3.33Å
23T63Low62.6Low91 Ų91134 Ų13456%0.55872%0.716SS**  trans-82.8-9.2177.342.10000113.2K21 S26K21-T23 HydrophobicContact CB-CG2 4.26Å; K21-T23 PolarHBondContact O-N 3.48Å; K21-T23 PolarHBondContact O-OG1 3.36Å; T23-S26 PolarHBondContact O-OG 3.38Å
24H61.5Low63.6Low166 Ų166132.2 Ų132.277%0.76971%0.713SS**SBendtrans-82.6-8.8-176.8-89.9-87.5000115.5K22K22-H24 VanDerWaalsContact C-N 3.33Å
25V62.6Low64.7Low97 Ų97132 Ų13259%0.58871%0.706SS**SBendtrans-91.1-18.4-174.9-170.20000112.7H27 L28V25-H27 PolarHBondContact O-N 3.48Å; V25-L28 HydrophobicContact CG1-CD1 4.43Å; V25-L28 PolarHBondContact O-N 3.03Å
26S62.4Low65Low96 Ų96128.5 Ų128.567%0.67171%0.712SS**THydrogen-bonded Turntrans-72.5-11.7-179.852.30000114.4T23T23-S26 PolarHBondContact O-OG 3.38Å
27H61.7Low65.3Low154 Ų154125.8 Ų125.871%0.71371%0.707SS**THydrogen-bonded Turntrans-100.7-1.4178.7-63.7-67.4000113.7V25 I29V25-H27 PolarHBondContact O-N 3.48Å; H27-I29 PolarHBondContact O-N 3.09Å
28L69.2Low65.9Low138 Ų138122.3 Ų122.372%0.72369%0.693SS**  trans-76.582.8170.3-78.2162.7000108.4V25 D30V25-L28 HydrophobicContact CG1-CD1 4.43Å; V25-L28 PolarHBondContact O-N 3.03Å; L28-D30 PolarHBondContact O-N 3.48Å
29I70.4Confident66.3Low150 Ų150124.8 Ų124.877%0.76970%0.701SS**  trans-66.1102.1166.1-62.4160.6000105.6H27 P31H27-I29 PolarHBondContact O-N 3.09Å; I29-P31 VanDerWaalsContact O-CD 3.22Å; I29-P31 WeakPolarHBondContact O-CD 3.28Å
30D75.3Confident66.9Low74 Ų74131 Ų13140%0.39671%0.706SS.*  trans-63.5113.7171.2171.318.7000108.2L28 R32 S33L28-D30 PolarHBondContact O-N 3.48Å; D30-R32 PolarHBondContact O-N 3.17Å; D30-R32 WeakPolarHBondContact OD1-CB 3.22Å; D30-R32 PolarHBondContact OD1-N 3.16Å; D30-S33 PolarHBondContact O-N 2.83Å; D30-S33 PolarHBondContact OD2-N 3.05Å; D30-S33 PolarHBondContact OD2-OG 3.2Å
31P71.5Confident67.4Low123 Ų123129.8 Ų129.880%0.79971%0.706SS**THydrogen-bonded Turntrans-66-9.9-178.829.2-36000112.7I29I29-P31 VanDerWaalsContact O-CD 3.22Å; I29-P31 WeakPolarHBondContact O-CD 3.28Å
32R74.8Confident67.7Low223 Ų223127.2 Ų127.284%0.84271%0.707SS**THydrogen-bonded Turntrans-95.4-9.8176.2-55.7-179-174.1177.82.7113D30D30-R32 PolarHBondContact O-N 3.17Å; D30-R32 WeakPolarHBondContact OD1-CB 3.22Å; D30-R32 PolarHBondContact OD1-N 3.16Å
33S70.1Confident68.1Low65 Ų65126 Ų12646%0.45571%0.707SS.*SBendtrans-83.9124.3176.4-74.50000109D30 S35D30-S33 PolarHBondContact O-N 2.83Å; D30-S33 PolarHBondContact OD2-N 3.05Å; D30-S33 PolarHBondContact OD2-OG 3.2Å; S33-S35 PolarHBondContact O-N 3.21Å; S33-S35 VanDerWaalsContact O-N 3.13Å
34P71.5Confident68.2Low121 Ų121130.5 Ų130.579%0.78672%0.722SS**  trans-59.6122.2175.424.3-31.5000108.4A36P34-A36 PolarHBondContact O-N 3.05Å
35S70.7Confident68.2Low88 Ų88128.6 Ų128.662%0.61572%0.722SS**  trans-53.4108.1180-57.30000110S33 G37S33-S35 PolarHBondContact O-N 3.21Å; S33-S35 VanDerWaalsContact O-N 3.13Å; S35-G37 PolarHBondContact O-N 3.05Å
36A62.8Low67.6Low115 Ų115129.2 Ų129.295%0.9573%0.729SS**THydrogen-bonded Turntrans-73.321.2-174.900000114.1P34P34-A36 PolarHBondContact O-N 3.05Å
37G63.8Low67Low66 Ų66127.5 Ų127.568%0.6873%0.727SS**THydrogen-bonded Turntrans-139.413.2-171.400000115.1S35 D39S35-G37 PolarHBondContact O-N 3.05Å; G37-D39 PolarHBondContact O-N 3.26Å
38I69.1Low66.4Low113 Ų113128.8 Ų128.858%0.57973%0.73SS**  trans-84.2105.2170-49.6175.4000106.7R40I38-R40 HydrophobicContact CG2-CG 4.19Å; I38-R40 PolarHBondContact O-N 3.28Å
39D63.3Low65.3Low161 Ų161131.2 Ų131.286%0.86174%0.738SS**  trans-61.587164.7-84.2-23000108G37 T41G37-D39 PolarHBondContact O-N 3.26Å; D39-T41 PolarHBondContact O-N 2.78Å
40R72.9Confident64.2Low212 Ų212129.4 Ų129.480%0.874%0.738SS**  trans-69.5106.5172.1-70.3-177.1174.1160.1-0.5106.1I38I38-R40 HydrophobicContact CG2-CG 4.19Å; I38-R40 PolarHBondContact O-N 3.28Å
41T73.6Confident63Low121 Ų121132.6 Ų132.674%0.74276%0.761SS**  trans-49.4126.116844.80000107.6D39 I43D39-T41 PolarHBondContact O-N 2.78Å; T41-I43 PolarHBondContact O-N 3.17Å
42P71.2Confident61.5Low119 Ų119132.3 Ų132.377%0.77376%0.762SS**  trans-56.2122.9179.919-28.6000107.6Q44P42-Q44 PolarHBondContact O-N 2.97Å
43I69.6Low60.4Low152 Ų152126.4 Ų126.478%0.77976%0.76SS**  trans-58.6108.2175.6-62.7171000105.3T41 V45T41-I43 PolarHBondContact O-N 3.17Å; I43-V45 HydrophobicContact CG2-CG2 4.14Å; I43-V45 PolarHBondContact O-N 3.39Å
44Q64.6Low59.1Low186 Ų186127.5 Ų127.587%0.86977%0.773SS**  trans-67.388.6168-75.3179.8-9.300106.3P42 C46P42-Q44 PolarHBondContact O-N 2.97Å; Q44-C46 VanDerWaalsContact C-N 3.31Å; Q44-C46 PolarHBondContact O-N 3.19Å
45V62.3Low58.2Low126 Ų126126.9 Ų126.976%0.76478%0.779SS**  trans-62.7104.3163.5-179.70000104.4I43 G47I43-V45 HydrophobicContact CG2-CG2 4.14Å; I43-V45 PolarHBondContact O-N 3.39Å; V45-G47 PolarHBondContact O-N 3Å
46C49.8Very low56.9Low110 Ų110128.5 Ų128.574%0.74379%0.785SS**  trans-62.385175.1-174.30000108Q44 K48Q44-C46 VanDerWaalsContact C-N 3.31Å; Q44-C46 PolarHBondContact O-N 3.19Å; C46-K48 PolarHBondContact O-N 2.89Å
47G48.2Very low56.4Low60 Ų60133.3 Ų133.362%0.61978%0.784SS**  trans-64.4101.3163.600000106.4V45 E49V45-G47 PolarHBondContact O-N 3Å; G47-E49 VanDerWaalsContact C-N 3.31Å; G47-E49 PolarHBondContact O-N 3.17Å
48K49.2Very low55.5Low182 Ų182135.1 Ų135.179%0.79179%0.787SS**  trans-63.499.6165.4-69.1179.6178.21800106.7C46 S50C46-K48 PolarHBondContact O-N 2.89Å; K48-S50 VanDerWaalsContact C-N 3.31Å; K48-S50 PolarHBondContact O-N 2.91Å
49E46.2Very low54.5Low188 Ų188138.7 Ų138.788%0.87980%0.801SS**  trans-66.495.7164.3-71.8178.8172.300107.6G47 T51G47-E49 VanDerWaalsContact C-N 3.31Å; G47-E49 PolarHBondContact O-N 3.17Å; E49-T51 PolarHBondContact O-N 3.01Å
50S48.3Very low53.5Low112 Ų112135.1 Ų135.178%0.78379%0.788SS**  trans-77.193.9168.3-52.40000108.2K48 S52K48-S50 VanDerWaalsContact C-N 3.31Å; K48-S50 PolarHBondContact O-N 2.91Å; S50-S52 PolarHBondContact O-N 3.07Å
51T50.5Low52.5Low142 Ų142131 Ų13187%0.87179%0.788SS**  trans-60.3113.1155.733.20000109.3E49E49-T51 PolarHBondContact O-N 3.01Å
52S39.8Very low51.6Low116 Ų116131.9 Ų131.981%0.81179%0.787SS**  trans-169.1122.1143-174.90000110.6S50S50-S52 PolarHBondContact O-N 3.07Å
53A50.9Low51Low99 Ų99130 Ų13082%0.81878%0.782SS**  trans-71125.3168.300000110.3
54A43.5Very low50.5Low88 Ų88128.2 Ų128.273%0.72778%0.778SS**  trans-174.7127.414100000109.1V56A54-V56 PolarHBondContact O-N 3.2Å
55A51Low50.2Low109 Ų109126.1 Ų126.190%0.90177%0.773SS**  trans-57.9105.217500000111.2
56V45.4Very low50.4Low122 Ų122123.7 Ų123.774%0.73976%0.755SS**  trans-136.2124.8157.3-178.70000106.6A54 S58A54-V56 PolarHBondContact O-N 3.2Å; V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 2.9Å
57K51.5Low51.3Low216 Ų216124.6 Ų124.694%0.93976%0.76SS**  trans-55.494.4173.5-63.5173.8178.4177.10108.4
58S44Very low52.3Low104 Ų104132.6 Ų132.673%0.72777%0.772SS**  trans-104.9115170.557.10000108.3V56 C60V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 2.9Å; S58-C60 PolarHBondContact O-N 3.05Å
59E48.3Very low53.1Low187 Ų187126.2 Ų126.287%0.87475%0.75SS**  trans-41117.8162.3-172.3168.2-165.300109.4P61E59-P61 WeakPolarHBondContact O-CD 3.3Å
60C42.3Very low54.1Low87 Ų87123 Ų12359%0.58875%0.745SS**  trans-66117.1-177.6-170.30000108.3S58 L62S58-C60 PolarHBondContact O-N 3.05Å; C60-L62 HydrophobicContact CB-CG 4.26Å; C60-L62 PolarHBondContact O-N 2.91Å
61P53.2Low55.3Low125 Ų125122 Ų12281%0.81273%0.734SS**  trans-73.478.4168.530.1-30.2000107.4E59 A63E59-P61 WeakPolarHBondContact O-CD 3.3Å; P61-A63 PolarHBondContact O-N 3.29Å; P61-A63 VanDerWaalsContact O-N 3.17Å
62L53.7Low56Low139 Ų139125.3 Ų125.373%0.72874%0.737SS**  trans-62.2118.7173.4-77.5171.7000107.8C60 V64C60-L62 HydrophobicContact CB-CG 4.26Å; C60-L62 PolarHBondContact O-N 2.91Å; L62-V64 PolarHBondContact O-N 3.14Å
63A58.8Low57.3Low80 Ų80123.2 Ų123.266%0.66173%0.734SS**  trans-45.699.8178.100000112.2P61 N65P61-A63 PolarHBondContact O-N 3.29Å; P61-A63 VanDerWaalsContact O-N 3.17Å; A63-N65 HydrophobicContact CB-CB 4.47Å; A63-N65 PolarHBondContact O-N 3.32Å
64V58.4Low57.9Low115 Ų115123.9 Ų123.970%0.69772%0.722SS**  trans-74.759.3160.8-170.30000108.1L62 D66L62-V64 PolarHBondContact O-N 3.14Å; V64-D66 VanDerWaalsContact C-N 3.33Å
65N58.5Low58.8Low141 Ų141126 Ų12675%0.75473%0.726SS**  trans-102.141.5173.6-82.5-65.2000109.9A63 P67A63-N65 HydrophobicContact CB-CB 4.47Å; A63-N65 PolarHBondContact O-N 3.32Å; N65-P67 WeakPolarHBondContact O-CD 3.34Å
66D66.9Low59.7Low75 Ų75131.3 Ų131.340%0.40172%0.723SS.*  trans-88.3109.6159.2174.617.2000107.8V64 R68 S69V64-D66 VanDerWaalsContact C-N 3.33Å; D66-R68 PolarHBondContact O-N 3.22Å; D66-R68 WeakPolarHBondContact OD1-CB 3.4Å; D66-R68 PolarHBondContact OD1-N 3.32Å; D66-S69 WeakPolarHBondContact CB-OG 3.37Å; D66-S69 WeakPolarHBondContact O-CB 3.49Å; D66-S69 PolarHBondContact O-N 3.3Å; D66-S69 PolarHBondContact OD2-N 2.95Å; D66-S69 PolarHBondContact OD2-OG 3.05Å
67P67.8Low60.9Low129 Ų129131.5 Ų131.584%0.83873%0.725SS**THydrogen-bonded Turntrans-63.5-8.6178.727.7-35.3000113.2N65N65-P67 WeakPolarHBondContact O-CD 3.34Å
68R69.8Low61.6Low229 Ų229126.4 Ų126.486%0.86471%0.714SS**THydrogen-bonded Turntrans-99-9.3175.4-57.9179.7-179.8170.71.5113.2D66D66-R68 PolarHBondContact O-N 3.22Å; D66-R68 WeakPolarHBondContact OD1-CB 3.4Å; D66-R68 PolarHBondContact OD1-N 3.32Å
69S66.4Low62.8Low48 Ų48125.7 Ų125.734%0.33671%0.705SS.*SBendtrans-81.6129.1177.9-750000109.6D66 T71D66-S69 WeakPolarHBondContact CB-OG 3.37Å; D66-S69 WeakPolarHBondContact O-CB 3.49Å; D66-S69 PolarHBondContact O-N 3.3Å; D66-S69 PolarHBondContact OD2-N 2.95Å; D66-S69 PolarHBondContact OD2-OG 3.05Å; S69-T71 PolarHBondContact O-N 2.72Å; S69-T71 VanDerWaalsContact O-N 3.13Å
70P67.3Low64.2Low119 Ų119126.2 Ų126.277%0.77370%0.699SS**  trans-58.3122.8176.923.2-30.9000108.6F72P70-F72 PolarHBondContact O-N 3.36Å
71T72.7Confident65.6Low91 Ų91129.9 Ų129.956%0.55871%0.707SS**  trans-58.8113.5-178.7-47.70000109.2S69 G73 I74S69-T71 PolarHBondContact O-N 2.72Å; S69-T71 VanDerWaalsContact O-N 3.13Å; T71-G73 PolarHBondContact O-N 2.93Å; T71-I74 HydrophobicContact CG2-CD1 3.72Å; T71-I74 HydrophobicContact CG2-CG1 3.84Å; T71-I74 PolarHBondContact O-N 3Å
72F64.8Low66.3Low213 Ų213130.5 Ų130.593%0.93470%0.702SS**THydrogen-bonded Turntrans-58.4121.9176.6-151.5-93.2000108.3P70P70-F72 PolarHBondContact O-N 3.36Å
73G67.6Low67.1Low72 Ų72129.2 Ų129.274%0.74269%0.694SS**THydrogen-bonded Turntrans98.8-7.6-176.700000116.1T71 T75T71-G73 PolarHBondContact O-N 2.93Å; G73-T75 PolarHBondContact O-N 2.96Å
74I63.2Low67.9Low112 Ų112133.6 Ų133.657%0.57469%0.693SS**  trans-90.882.3165.5-53.2-177.1000108.2T71 R76T71-I74 HydrophobicContact CG2-CD1 3.72Å; T71-I74 HydrophobicContact CG2-CG1 3.84Å; T71-I74 PolarHBondContact O-N 3Å; I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 2.9Å
75T63.8Low68.6Low133 Ų133131.3 Ų131.382%0.81669%0.686SS**  trans-63.197.1158.731.40000107.2G73 T77G73-T75 PolarHBondContact O-N 2.96Å; T75-T77 PolarHBondContact O-N 3.13Å; T75-T77 VanDerWaalsContact O-N 3.08Å
76R70.3Confident69.4Low220 Ų220128.6 Ų128.683%0.8368%0.675SS**PPolyproline II helixtrans-50.4122.8170.5-60.2-17796.1-179.97.3106.2I74I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 2.9Å
77T69.2Low70Confident126 Ų126129.2 Ų129.277%0.77368%0.681SS**PPolyproline II helixtrans-47.5120.4179.119.40000107.8T75 V79T75-T77 PolarHBondContact O-N 3.13Å; T75-T77 VanDerWaalsContact O-N 3.08Å; T77-V79 PolarHBondContact O-N 3.08Å
78P66.9Low70.8Confident109 Ų109125 Ų12571%0.70866%0.661SS**PPolyproline II helixtrans-54.6123.6-177.519.3-29.8000107.3R80P78-R80 PolarHBondContact O-N 3.04Å
79V69.8Low71.5Confident89 Ų89117 Ų11754%0.53964%0.641SS.*PPolyproline II helixtrans-50.5120.8175.3166.60000106.7T77 E81 M83T77-V79 PolarHBondContact O-N 3.08Å; V79-E81 PolarHBondContact O-N 3.16Å; V79-M83 HydrophobicContact CG1-CB 3.6Å
80R77.5Confident72.6Confident199 Ų199120.8 Ų120.875%0.75165%0.651SS**PPolyproline II helixtrans-48.1133.8-178.9-68.8179.4177160.3-1.9108.4P78 I82 M83 R84P78-R80 PolarHBondContact O-N 3.04Å; R80-I82 PolarHBondContact O-N 3.2Å; R80-M83 WeakPolarHBondContact O-CA 3.4Å; R80-M83 WeakPolarHBondContact O-CB 3.42Å; R80-M83 PolarHBondContact O-N 2.81Å; R80-R84 PolarHBondContact O-N 3.02Å
81E71.2Confident73.6Confident164 Ų164119.2 Ų119.277%0.76664%0.64SS**Hα-helixtrans-53.4-31.9-173-167.8166.4-164.700113.1V79 M83 R84 A85V79-E81 PolarHBondContact O-N 3.16Å; E81-M83 PolarHBondContact O-N 3.32Å; E81-R84 WeakPolarHBondContact O-CB 3.35Å; E81-R84 PolarHBondContact O-N 2.94Å; E81-R84 VanDerWaalsContact O-N 3.14Å; E81-A85 PolarHBondContact O-N 3.03Å
82I68.6Low74.3Confident137 Ų137123.7 Ų123.770%0.70365%0.646SS**Hα-helixtrans-60.2-41.4174.1-53.8170.5000112R80 T86R80-I82 PolarHBondContact O-N 3.2Å; I82-T86 WeakPolarHBondContact O-CB 3.46Å; I82-T86 PolarHBondContact O-N 3.3Å; I82-T86 VanDerWaalsContact O-N 3.09Å; I82-T86 PolarHBondContact O-OG1 2.94Å
83M69.4Low75.4Confident112 Ų112122.8 Ų122.855%0.55264%0.637SS**Hα-helixtrans-72.4-34.6175.4-68.5-177.374.200111.5V79 R80 E81 T86 V87V79-M83 HydrophobicContact CG1-CB 3.6Å; R80-M83 WeakPolarHBondContact O-CA 3.4Å; R80-M83 WeakPolarHBondContact O-CB 3.42Å; R80-M83 PolarHBondContact O-N 2.81Å; E81-M83 PolarHBondContact O-N 3.32Å; M83-T86 PolarHBondContact O-N 3.42Å; M83-V87 WeakPolarHBondContact O-CB 3.25Å; M83-V87 VanDerWaalsContact O-CG2 3.25Å; M83-V87 WeakPolarHBondContact O-CG2 3.4Å; M83-V87 PolarHBondContact O-N 2.96Å
84R76.3Confident76.5Confident172 Ų172122.3 Ų122.365%0.64962%0.617SS**Hα-helixtrans-62.6-45.5175.5-173.5-169.4-65.4-119.13.1111.3R80 E81 G88R80-R84 PolarHBondContact O-N 3.02Å; E81-R84 WeakPolarHBondContact O-CB 3.35Å; E81-R84 PolarHBondContact O-N 2.94Å; E81-R84 VanDerWaalsContact O-N 3.14Å; R84-G88 PolarHBondContact O-N 3.39Å
85A72.4Confident77.8Confident67 Ų67118.4 Ų118.455%0.55460%0.604SS**Hα-helixtrans-64-43.9176.400000111.7E81 S89E81-A85 PolarHBondContact O-N 3.03Å; A85-S89 VanDerWaalsContact O-CB 3.29Å; A85-S89 WeakPolarHBondContact O-CB 3.29Å; A85-S89 PolarHBondContact O-N 3.42Å; A85-S89 PolarHBondContact O-OG 2.73Å
86T74.8Confident78.9Confident85 Ų85117 Ų11752%0.52159%0.59SS.*Hα-helixtrans-65.2-50.8-179.4-52.90000111.7I82 M83 S89 F90I82-T86 WeakPolarHBondContact O-CB 3.46Å; I82-T86 PolarHBondContact O-N 3.3Å; I82-T86 VanDerWaalsContact O-N 3.09Å; I82-T86 PolarHBondContact O-OG1 2.94Å; M83-T86 PolarHBondContact O-N 3.42Å; T86-S89 PolarHBondContact O-N 3.47Å; T86-S89 PolarHBondContact O-OG 2.9Å; T86-F90 PolarHBondContact O-N 3.01Å; T86-F90 VanDerWaalsContact O-N 3.11Å
87V80.6Confident79.5Confident87 Ų87111.6 Ų111.653%0.52758%0.577SS.*Hα-helixtrans-65.5-41.8178.9176.10000110.9M83 S89 F90 T91M83-V87 WeakPolarHBondContact O-CB 3.25Å; M83-V87 VanDerWaalsContact O-CG2 3.25Å; M83-V87 WeakPolarHBondContact O-CG2 3.4Å; M83-V87 PolarHBondContact O-N 2.96Å; V87-S89 PolarHBondContact O-N 3.17Å; V87-F90 PolarHBondContact O-N 3.31Å; V87-T91 PolarHBondContact O-N 3.14Å; V87-T91 PolarHBondContact O-OG1 3.3Å; V87-T91 VanDerWaalsContact O-OG1 3.12Å
88G84.3Confident80.2Confident40 Ų40111.8 Ų111.841%0.41257%0.567SS.*Hα-helixtrans-61.7-42.2176.200000113R84 F90 T91 R92R84-G88 PolarHBondContact O-N 3.39Å; G88-F90 VanDerWaalsContact C-N 3.34Å; G88-F90 PolarHBondContact O-N 3.4Å; G88-T91 PolarHBondContact O-N 2.98Å; G88-R92 PolarHBondContact O-N 3.48Å
89S85.2Confident80.4Confident62 Ų62113.5 Ų113.543%0.43457%0.565SS.*Hα-helixtrans-64.4-38.317776.80000112.5A85 T86 V87 R92 R93A85-S89 VanDerWaalsContact O-CB 3.29Å; A85-S89 WeakPolarHBondContact O-CB 3.29Å; A85-S89 PolarHBondContact O-N 3.42Å; A85-S89 PolarHBondContact O-OG 2.73Å; T86-S89 PolarHBondContact O-N 3.47Å; T86-S89 PolarHBondContact O-OG 2.9Å; V87-S89 PolarHBondContact O-N 3.17Å; S89-R92 PolarHBondContact O-N 2.88Å; S89-R93 PolarHBondContact O-N 3.14Å
90F89.4Confident80.1Confident127 Ų127115.1 Ų115.156%0.55757%0.571SS**Hα-helixtrans-66.2-46.7177.1179.3-107000111.2T86 V87 G88 R92 R93 L94T86-F90 PolarHBondContact O-N 3.01Å; T86-F90 VanDerWaalsContact O-N 3.11Å; V87-F90 PolarHBondContact O-N 3.31Å; G88-F90 VanDerWaalsContact C-N 3.34Å; G88-F90 PolarHBondContact O-N 3.4Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.4Å; F90-R93 PolarHBondContact O-N 3.37Å; F90-L94 HydrophobicContact CD1-CD1 3.9Å; F90-L94 HydrophobicContact CD1-CG 4.48Å; F90-L94 HydrophobicContact CE1-CD1 3.35Å; F90-L94 HydrophobicContact CE1-CG 4.12Å; F90-L94 HydrophobicContact CE2-CD1 4.43Å; F90-L94 HydrophobicContact CE2-CG 4.39Å; F90-L94 HydrophobicContact CZ-CD1 3.66Å; F90-L94 HydrophobicContact CZ-CD2 4.27Å; F90-L94 HydrophobicContact CZ-CG 4.07Å; F90-L94 WeakPolarHBondContact O-CG 3.45Å; F90-L94 PolarHBondContact O-N 2.89Å
91T87.9Confident79.3Confident87 Ų87113.4 Ų113.453%0.53457%0.571SS.*Hα-helixtrans-60.1-40.6175.2-56.90000111.8V87 G88 L94 G95V87-T91 PolarHBondContact O-N 3.14Å; V87-T91 PolarHBondContact O-OG1 3.3Å; V87-T91 VanDerWaalsContact O-OG1 3.12Å; G88-T91 PolarHBondContact O-N 2.98Å; T91-L94 PolarHBondContact O-N 2.75Å; T91-G95 PolarHBondContact O-N 3.38Å
92R87.7Confident78.8Confident185 Ų185109.6 Ų109.670%0.69857%0.568SS**Hα-helixtrans-63.1-43.1176.1-164.1-177.7-153.9-923.9112.2G88 S89 F90 G95 M96G88-R92 PolarHBondContact O-N 3.48Å; S89-R92 PolarHBondContact O-N 2.88Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.4Å; R92-G95 PolarHBondContact O-N 3.21Å; R92-M96 PolarHBondContact O-N 3.29Å
93R87.9Confident78.2Confident194 Ų194111.2 Ų111.273%0.73257%0.573SS**Hα-helixtrans-63-41.6175.8-79.7-176.9-179.4177.51.8112.2S89 F90 M96 L97S89-R93 PolarHBondContact O-N 3.14Å; F90-R93 PolarHBondContact O-N 3.37Å; R93-M96 PolarHBondContact O-N 2.88Å; R93-L97 PolarHBondContact O-N 2.79Å
94L90.9Very high77.7Confident62 Ų62109.4 Ų109.433%0.32558%0.583SS.*Hα-helixtrans-63.6-44.3174.4-71.8179.8000111.5F90 T91 M96 L97 F98F90-L94 HydrophobicContact CD1-CD1 3.9Å; F90-L94 HydrophobicContact CD1-CG 4.48Å; F90-L94 HydrophobicContact CE1-CD1 3.35Å; F90-L94 HydrophobicContact CE1-CG 4.12Å; F90-L94 HydrophobicContact CE2-CD1 4.43Å; F90-L94 HydrophobicContact CE2-CG 4.39Å; F90-L94 HydrophobicContact CZ-CD1 3.66Å; F90-L94 HydrophobicContact CZ-CD2 4.27Å; F90-L94 HydrophobicContact CZ-CG 4.07Å; F90-L94 WeakPolarHBondContact O-CG 3.45Å; F90-L94 PolarHBondContact O-N 2.89Å; T91-L94 PolarHBondContact O-N 2.75Å; L94-M96 VanDerWaalsContact C-N 3.29Å; L94-M96 PolarHBondContact O-N 2.8Å; L94-L97 PolarHBondContact O-N 3.05Å; L94-L97 VanDerWaalsContact O-N 3.11Å; L94-F98 HydrophobicContact CB-CD2 4.44Å; L94-F98 HydrophobicContact CB-CE2 4.23Å; L94-F98 HydrophobicContact CD2-CE2 4.22Å; L94-F98 WeakPolarHBondContact O-CD2 3.39Å; L94-F98 PolarHBondContact O-N 3.09Å
95G90.4Very high76.7Confident30 Ų30110.2 Ų110.231%0.30959%0.591SS.*Hα-helixtrans-55.3-45.3176.300000112.2T91 R92 F98 H99T91-G95 PolarHBondContact O-N 3.38Å; R92-G95 PolarHBondContact O-N 3.21Å; G95-F98 PolarHBondContact O-N 2.8Å; G95-H99 WeakPolarHBondContact O-CB 3.49Å; G95-H99 PolarHBondContact O-N 2.82Å; G95-H99 PolarHBondContact O-ND1 2.97Å
96M85.8Confident75.8Confident104 Ų104112.8 Ų112.851%0.51260%0.599SS.*Hα-helixtrans-63.2-44.5174.6-72.2179.256.700112.6R92 R93 L94 F98 H99 N100R92-M96 PolarHBondContact O-N 3.29Å; R93-M96 PolarHBondContact O-N 2.88Å; L94-M96 VanDerWaalsContact C-N 3.29Å; L94-M96 PolarHBondContact O-N 2.8Å; M96-F98 VanDerWaalsContact C-N 3.27Å; M96-F98 PolarHBondContact O-N 3.25Å; M96-H99 PolarHBondContact O-N 3.35Å; M96-N100 PolarHBondContact O-N 3.27Å; M96-N100 PolarHBondContact O-ND2 3.29Å
97L84Confident75Confident106 Ų106114.8 Ų114.856%0.55561%0.614SS**Hα-helixtrans-58.5-40.5-179.6-173.563.4000111.8R93 L94R93-L97 PolarHBondContact O-N 2.79Å; L94-L97 PolarHBondContact O-N 3.05Å; L94-L97 VanDerWaalsContact O-N 3.11Å
98F82.4Confident73.4Confident130 Ų130119.7 Ų119.757%0.5763%0.631SS**Hα-helixtrans-82.8-25.2179.9-64.2-63.3000114.3L94 G95 M96L94-F98 HydrophobicContact CB-CD2 4.44Å; L94-F98 HydrophobicContact CB-CE2 4.23Å; L94-F98 HydrophobicContact CD2-CE2 4.22Å; L94-F98 WeakPolarHBondContact O-CD2 3.39Å; L94-F98 PolarHBondContact O-N 3.09Å; G95-F98 PolarHBondContact O-N 2.8Å; M96-F98 VanDerWaalsContact C-N 3.27Å; M96-F98 PolarHBondContact O-N 3.25Å
99H72.3Confident71.5Confident145 Ų145120.9 Ų120.967%0.67164%0.643SS**Hα-helixtrans-77.3-27.1177.5-80.248.5000113G95 M96 E101 A102G95-H99 WeakPolarHBondContact O-CB 3.49Å; G95-H99 PolarHBondContact O-N 2.82Å; G95-H99 PolarHBondContact O-ND1 2.97Å; M96-H99 PolarHBondContact O-N 3.35Å; H99-E101 VanDerWaalsContact C-N 3.26Å; H99-E101 PolarHBondContact O-N 2.93Å; H99-A102 PolarHBondContact O-N 3.29Å
100N63.1Low69.9Low122 Ų122124 Ų12465%0.65266%0.662SS**THydrogen-bonded Turntrans-69.2-20.6177.8-79.2-76.4000113.6M96M96-N100 PolarHBondContact O-N 3.27Å; M96-N100 PolarHBondContact O-ND2 3.29Å
101E61Low68.1Low164 Ų164126.1 Ų126.177%0.76667%0.674SS**THydrogen-bonded Turntrans-84.1-13178.9-63.2-166.8161.900113.4H99H99-E101 VanDerWaalsContact C-N 3.26Å; H99-E101 PolarHBondContact O-N 2.93Å
102A59.7Low66.1Low84 Ų84131.4 Ų131.469%0.69469%0.689SS**THydrogen-bonded Turntrans-89.7-19.1-177.300000114.1H99H99-A102 PolarHBondContact O-N 3.29Å
103E57.8Low64.1Low171 Ų171132.7 Ų132.780%0.79969%0.694SS**  trans-99.626.5-177-71.6-168.7166.600114.3K105E103-K105 PolarHBondContact O-N 2.98Å
104G58.1Low61.9Low74 Ų74132 Ų13276%0.76370%0.698SS**  trans-68.436.1168.900000114.8
105K55.8Low59.9Low189 Ų189134.5 Ų134.582%0.82272%0.722SS**  trans-95.5102.9167.5-76-84.5-175.9173.30107.3E103E103-K105 PolarHBondContact O-N 2.98Å
106V53.6Low57.8Low120 Ų120140 Ų14073%0.72774%0.744SS**  trans-39.6122170.2176.70000110.6E108V106-E108 VanDerWaalsContact C-N 3.31Å; V106-E108 PolarHBondContact O-N 3Å
107P56.4Low56.8Low128 Ų128139.6 Ų139.683%0.83175%0.749SS**  trans-71.495.2162.927.3-28.2000107.4
108E48.5Very low54.7Low190 Ų190141.4 Ų141.489%0.88876%0.764SS**  trans-77.8115.9171.9-170.5175.3-163.800108.6V106V106-E108 VanDerWaalsContact C-N 3.31Å; V106-E108 PolarHBondContact O-N 3Å
109G43.3Very low53Low64 Ų64141.9 Ų141.966%0.6677%0.773SS**  trans132.1119.515300000116.7
110P52.3Low51.8Low128 Ų128143.8 Ų143.883%0.83178%0.782SS**  trans-82.8153.6-179.534.6-34.6000113.4
111Q51.9Low51.4Low172 Ų172143.6 Ų143.680%0.80479%0.785SS**  trans-30127.4167.7-70.2173.4-4300115.2
112K44.4Very low50.5Low197 Ų197144.7 Ų144.786%0.85779%0.79SS**  trans-109.4110.6142.4-91.6-170.2175.4-175.80108.8
113R47.3Very low49.7Very low212 Ų212148.6 Ų148.680%0.879%0.793SS**  trans-64.7133160.2-67.4-164-179.8-158.32.3109.1
114H40.8Very low48.8Very low179 Ų179146.9 Ų146.983%0.82979%0.79SS**  trans-147.7124.3138.6-81.1-70.3000109
115S48.8Very low48.1Very low116 Ų116151.9 Ų151.981%0.81179%0.793SS**  trans-50.8163.8164.9-8.30000112.3
116D45.9Very low47.6Very low145 Ų145151.4 Ų151.478%0.77579%0.794SS**  cis-173.2-16413-166.621.8000106.4
117P64.7Low47.4Very low95 Ų95154.1 Ų154.162%0.61780%0.803SS**  -110.9156.6-103.435.5-18.1000114.9
118V40.1Very low46.5Very low144 Ų144152.5 Ų152.587%0.87380%0.801SS**  trans-153.6137.4142.1-127.10000110.7
119D47.7Very low46.4Very low141 Ų141148.3 Ų148.375%0.75479%0.793SS**  trans-34.9140.6173-74.2-70.8000115.2
120E47.2Very low46.4Very low184 Ų184151.6 Ų151.686%0.8680%0.8SS**  -173.5114.6106.4-96.6177.8-16400110.5
121V54.8Low46Very low119 Ų119152.5 Ų152.572%0.72179%0.793SS**  trans19.5114.2135.7-179.10000115.9
122H40.8Very low46Very low187 Ų187149.7 Ų149.787%0.86679%0.79SS**  -154.2107.9129.3-103.478.8000108.8
123E44.3Very low46.3Very low166 Ų166147.8 Ų147.878%0.77679%0.788SS**  trans-65.6133.3152.3-66.5-175.2134.500108.1
124D38.3Very low46.2Very low135 Ų135145 Ų14572%0.72279%0.789SS**  170.3121.9108.3-91.2-23000111.5
125E43.4Very low46.1Very low178 Ų178141.7 Ų141.783%0.83279%0.785SS**  trans56.4149131.7-56.8-151.5126.400124
126E45Very low45.7Very low180 Ų180142.1 Ų142.184%0.84179%0.785SS**  trans8579.2162-70.3-164127.400120.5
127L49.4Very low45.6Very low176 Ų176146.9 Ų146.992%0.92179%0.793SS**  13.9106.1118.9-59.3175000118
128A37.1Very low44.5Very low94 Ų94153.3 Ų153.378%0.77780%0.804SS**  trans-152.185.9136.500000110.1T130A128-T130 PolarHBondContact O-N 3.12Å
129S46.9Very low44.7Very low103 Ų103151.2 Ų151.272%0.7280%0.802SS**  trans-63.6114163.6177.40000109.5
130T43.5Very low44.5Very low132 Ų132149.8 Ų149.881%0.8180%0.799SS**  trans-111.781.2158.3500000108.8A128 P132A128-T130 PolarHBondContact O-N 3.12Å; T130-P132 WeakPolarHBondContact O-CD 3.37Å
131E43.9Very low44.2Very low147 Ų147148.3 Ų148.369%0.68780%0.797SS**  trans-63.1117.9168.1-174.5178.4-178.400110L133E131-L133 PolarHBondContact O-N 2.99Å
132P51.7Low43.8Very low114 Ų114152.7 Ų152.774%0.7481%0.806SS**  trans-75.1114.3172.828.1-30.1000109.8T130 L134T130-P132 WeakPolarHBondContact O-CD 3.37Å; P132-L134 PolarHBondContact O-N 3.48Å
133L50.1Low44.1Very low157 Ų157147.1 Ų147.182%0.82280%0.8SS**SBendtrans-66.939.8177.3-71.8173.5000115E131E131-L133 PolarHBondContact O-N 2.99Å
134L45.3Very low44.5Very low154 Ų154143.9 Ų143.981%0.80680%0.796SS**  trans-136.693.2170.7-66.2175.8000109.6P132 P136P132-L134 PolarHBondContact O-N 3.48Å; L134-P136 WeakPolarHBondContact O-CD 3.03Å
135S39.2Very low44.9Very low108 Ų108144.1 Ų144.176%0.75580%0.802SS**  trans-49.9122.6164.652.50000109.6R137S135-R137 PolarHBondContact O-N 3.19Å
136P40.7Very low45.1Very low126 Ų126142.6 Ų142.682%0.81880%0.804SS**  trans-60.1105.7172.9-22.933.6000109.2L134 R138L134-P136 WeakPolarHBondContact O-CD 3.03Å; P136-R138 PolarHBondContact O-N 2.74Å
137R42.5Very low45.5Very low245 Ų245141.9 Ų141.993%0.92580%0.801SS**  trans-67.1108.8175.4-153179.8-178.6-164.5-0.2107S135 A139S135-R137 PolarHBondContact O-N 3.19Å; R137-A139 PolarHBondContact O-N 3.11Å
138R41.9Very low45.3Very low229 Ų229142.9 Ų142.986%0.86480%0.8SS**  trans-48.9130.5173.6-78.1-178.9175.2157.7-1.2109.4P136 T140P136-R138 PolarHBondContact O-N 2.74Å; R138-T140 PolarHBondContact O-N 3.34Å; R138-T140 VanDerWaalsContact O-N 3.14Å
139A45.3Very low45.7Very low100 Ų100143 Ų14383%0.82680%0.801SS**  trans-61.3112.5171.900000108.9R137R137-A139 PolarHBondContact O-N 3.11Å
140T43.1Very low45.8Very low112 Ų112145.4 Ų145.469%0.68781%0.806SS**  trans-76.1122.3168-22.70000108.3R138 F142R138-T140 PolarHBondContact O-N 3.34Å; R138-T140 VanDerWaalsContact O-N 3.14Å; T140-F142 PolarHBondContact O-N 3.01Å
141D41.4Very low46Very low153 Ų153147.2 Ų147.282%0.81881%0.81SS**  trans8.9101.4156.7-67-39.3000117.8G143D141-G143 PolarHBondContact O-N 3.31Å
142F45.1Very low46Very low210 Ų210148.9 Ų148.992%0.92182%0.822SS**  trans-83.872.6155.1-76.7-80.6000109.4T140T140-F142 PolarHBondContact O-N 3.01Å
143G47.4Very low45.5Very low70 Ų70148.3 Ų148.372%0.72283%0.827SS**  trans-123.258.4173.600000111.5D141D141-G143 PolarHBondContact O-N 3.31Å
144S52.3Low45Very low99 Ų99145.4 Ų145.469%0.69283%0.825SS**  trans-167.284.2163.2-170.60000111.5
145V46.8Very low44.9Very low140 Ų140144 Ų14485%0.84883%0.826SS**  trans-141.256.6162.2-167.10000108.2
146V49.1Very low45Very low145 Ų145147.1 Ų147.188%0.87983%0.834SS**  trans-137.639.9174.6-175.30000110.3
147E52.4Low45Very low166 Ų166150.6 Ų150.678%0.77684%0.839SS**SBendtrans-147.729.5-177.8-127.1175-15900116.8
148H44.5Very low44.7Very low197 Ų197143.5 Ų143.591%0.91283%0.833SS**  trans-130.831.6174-63.8-53.7000114.8
149A46.4Very low44.8Very low95 Ų95138 Ų13879%0.78583%0.829SS**  trans-93.84.2-178.500000116.2
150N49.7Very low44.7Very low154 Ų154142.7 Ų142.782%0.82483%0.834SS**  trans-126.355.4-169.8-77.3-21000115.1
151L47.4Very low44.7Very low171 Ų171142.9 Ų142.990%0.89584%0.835SS**  trans-136.537.3170.4-71.8178.8000114.1
152L44.3Very low44.5Very low182 Ų182145.5 Ų145.595%0.95384%0.84SS**  trans-127.472.2166.8-69174.7000110.1
153A39.9Very low44.1Very low101 Ų101140.8 Ų140.884%0.83583%0.828SS**  trans-106.3104.9159.500000107.3
154A39.6Very low43.7Very low96 Ų96140 Ų14079%0.79382%0.82SS**PPolyproline II helixtrans-82.2140.6171.700000109.7
155P44Very low42.8Very low126 Ų126143.2 Ų143.282%0.81883%0.829SS**PPolyproline II helixtrans-80.6134.4174.530.3-30.3000111.7
156D40.2Very low42.8Very low172 Ų172142 Ų14292%0.9283%0.827SS**PPolyproline II helixtrans-53.5132.9167.5-99.6-32.8000111.5
157Q42.2Very low42.2Very low199 Ų199140.5 Ų140.593%0.9382%0.823SS**  trans-139.6136161.2-152.9171.469.700111.7
158A35.4Very low42.5Very low97 Ų97136.8 Ų136.880%0.80281%0.813SS**  trans-80.8159.6-152.200000116.7
159S44.2Very low42.1Very low112 Ų112137.1 Ų137.178%0.78381%0.812SS**  trans-38.3137.6166.8-67.30000115.9
160Q43.3Very low42.4Very low199 Ų199142 Ų14293%0.9382%0.819SS**  trans-123.1120.9143.9-86.7-173.7-2.400111.3
161V42.5Very low42.2Very low117 Ų117141.8 Ų141.871%0.70982%0.816SS**  trans-68.7133.1172.1170.40000108.8V163V161-V163 HydrophobicContact CG1-CG2 3.84Å
162F38.6Very low42.5Very low207 Ų207141.5 Ų141.591%0.90882%0.815SS**  trans-132.4122.4154-146-96.3000110.7
163V35.3Very low42.1Very low112 Ų112144.2 Ų144.268%0.67981%0.812SS**  trans-93133.8-173160.60000109.2V161V161-V163 HydrophobicContact CG1-CG2 3.84Å
164G39Very low42.1Very low53 Ų53146.2 Ų146.255%0.54681%0.809SS.*  trans69123.8141.100000118.6
165N34.8Very low43.3Very low166 Ų166146.3 Ų146.389%0.88880%0.802SS**  178.8146.991.2-76.7-19.2000110.9
166S45.3Very low43.1Very low116 Ų116149.3 Ų149.381%0.81181%0.805SS**  trans-83.1175-164.530.70000116.3
167S37.5Very low43.1Very low112 Ų112147.2 Ų147.278%0.78380%0.798SS**  trans120.5160.6138.3-123.60000117.5
168P58.9Low43.3Very low89 Ų89142.3 Ų142.358%0.57879%0.791SS**  -140.4124.5-105.735.4-12.3000114.6
169F35.4Very low43.4Very low203 Ų203145.5 Ų145.589%0.8979%0.792SS**  trans-144.3113.6162.1-72.9-75.6000111.4
170E52.3Low43.2Very low198 Ų198149.3 Ų149.393%0.92580%0.797SS**  trans-69.8117.6160-70.6-178.815900108.4
171I47.1Very low43.2Very low149 Ų149146 Ų14676%0.76478%0.784SS**  trans-13198.4158.5-60.3179.4000107.7W173I171-W173 PolarHBondContact O-N 3.34Å
172L53.2Low43.3Very low165 Ų165148.6 Ų148.686%0.86479%0.789SS**  trans-50.8114.7155.2-176.385.6000109.5
173W34.5Very low43.6Very low239 Ų239144.3 Ų144.391%0.90578%0.78SS**  trans-157.2132151.4-157.3-101.9000112I171I171-W173 PolarHBondContact O-N 3.34Å
174D41.3Very low44.2Very low143 Ų143147.4 Ų147.477%0.76579%0.787SS**  trans-72.4166.7-170.7-108.1-17.8000114.1
175P63.8Low44.6Very low99 Ų99148.7 Ų148.764%0.64379%0.793SS**  trans-90.5135.3-15934.3-33.2000112.1
176Q39.5Very low45.1Very low189 Ų189149 Ų14988%0.88379%0.794SS**  trans-165.2139149-115159.884.100113.5
177V42Very low45.1Very low128 Ų128151 Ų15178%0.77679%0.794SS**  trans86.2112.3154.5-177.40000117.6
178A44.6Very low45.5Very low95 Ų95151.4 Ų151.479%0.78580%0.797SS**  trans45.1116.6143.500000119
179M37.3Very low44.9Very low165 Ų165155 Ų15581%0.81381%0.81SS**  trans-133.1107.9156.6-146.1-177.7-55.200108.7I181M179-I181 HydrophobicContact CB-CG1 4.48Å; M179-I181 HydrophobicContact CG-CG1 4.49Å
180E42Very low45.4Very low191 Ų191153.9 Ų153.989%0.89381%0.808SS**  trans-53.7129.5146.9-74171.1144.400107.3
181I43Very low45.1Very low129 Ų129153.9 Ų153.966%0.66281%0.808SS**  trans-117.594.9170.3-37.2179.4000107.3M179 T183M179-I181 HydrophobicContact CB-CG1 4.48Å; M179-I181 HydrophobicContact CG-CG1 4.49Å; I181-T183 HydrophobicContact CG2-CG2 3.54Å; I181-T183 PolarHBondContact O-N 3.41Å
182E45Very low45.4Very low173 Ų173151.4 Ų151.481%0.80881%0.809SS**  trans-61.3113.6152.3-163.8168.6-146.300107
183T45Very low45.3Very low116 Ų116152.5 Ų152.571%0.71281%0.81SS**  trans-126.696.516954.10000109.4I181 A185I181-T183 HydrophobicContact CG2-CG2 3.54Å; I181-T183 PolarHBondContact O-N 3.41Å; T183-A185 PolarHBondContact O-N 3.06Å
184E47.3Very low46.1Very low177 Ų177148.4 Ų148.483%0.82780%0.801SS**  trans-66.9115.6159.1-6.1176.7-170.600108
185A47.2Very low46.6Very low81 Ų81146.5 Ų146.567%0.66981%0.805SS**  trans-127.1112.9169.700000108.6T183 I187T183-A185 PolarHBondContact O-N 3.06Å; A185-I187 PolarHBondContact O-N 3.46Å
186N45.9Very low46.1Very low173 Ų173151.7 Ų151.793%0.92581%0.812SS**  trans-53.4113.4168.8-75-79.1000110
187I44.9Very low47Very low158 Ų158148.2 Ų148.281%0.8180%0.796SS**  trans-105.5113.3171.141.4167.5000109.4A185A185-I187 PolarHBondContact O-N 3.46Å
188S44.9Very low48Very low119 Ų119145.9 Ų145.983%0.83278%0.782SS**  trans-59130.2164.3173.90000109.8
189L47Very low49Very low164 Ų164146.7 Ų146.786%0.85978%0.779SS**  trans-112.775.6-171.9-167166.2000109.1
190E46.3Very low50.5Low180 Ų180144.5 Ų144.584%0.84177%0.77SS**  trans-155.658175-162.1177.4-173.200112.4
191E45.2Very low51.8Low199 Ų199140.8 Ų140.893%0.9375%0.753SS**  trans-160.163.9162.9-151.9177.8166.600110.3
192A53.7Low52.9Low96 Ų96140.9 Ų140.979%0.79375%0.748SS**  trans-119.957.9-179.800000111.1
193E52.1Low53.9Low188 Ų188142.2 Ų142.288%0.87975%0.746SS**  trans-162.259.2169.3-149.3-179.5177.400114.6
194E50.6Low54.7Low153 Ų153141.3 Ų141.372%0.71574%0.736SS**  trans-155.354.1159.8-143.1-174.1144.600113.5R196E194-R196 PolarHBondContact O-N 3.32Å; E194-R196 VanDerWaalsContact O-N 3.08Å; E194-R196 IonicContact OE1-NE 2.98Å; E194-R196 IonicContact OE1-NH2 2.82Å
195A51.5Low55.4Low104 Ų104134.9 Ų134.986%0.8671%0.711SS**  trans-73.2100.5162.200000108.3E197A195-E197 PolarHBondContact O-N 3.07Å
196R54.4Low56.1Low208 Ų208137.6 Ų137.679%0.78571%0.711SS**  trans-48.1110.7178.3-65.8-156.4161.8-165.5-4.1112.1E194 T198E194-R196 PolarHBondContact O-N 3.32Å; E194-R196 VanDerWaalsContact O-N 3.08Å; E194-R196 IonicContact OE1-NE 2.98Å; E194-R196 IonicContact OE1-NH2 2.82Å; R196-T198 PolarHBondContact O-N 2.9Å
197E56.8Low56.7Low115 Ų115133.8 Ų133.854%0.53770%0.698SS.*  trans-62.799.3173-160.4-178-164.300108.8A195 H201A195-E197 PolarHBondContact O-N 3.07Å; E197-H201 HydrophobicContact CG-CB 4.34Å
198T62.8Low57.3Low80 Ų80133.4 Ų133.449%0.49170%0.697SS.*  trans-62.2145.1175.6600000109.4R196 L200 H201 K202R196-T198 PolarHBondContact O-N 2.9Å; T198-L200 PolarHBondContact O-N 3.36Å; T198-H201 WeakPolarHBondContact O-CA 3.49Å; T198-H201 VanDerWaalsContact O-CB 3.3Å; T198-H201 WeakPolarHBondContact O-CB 3.07Å; T198-H201 PolarHBondContact O-N 3.22Å; T198-H201 PolarHBondContact OG1-N 3.11Å; T198-K202 PolarHBondContact O-N 3.05Å
199P67.3Low57.9Low111 Ų111133.5 Ų133.572%0.72169%0.687SS**Hα-helixtrans-54.6-25179.7-27.434.2000114R203P199-R203 PolarHBondContact O-N 3.24Å
200L68.3Low58.2Low119 Ų119131.2 Ų131.262%0.62368%0.68SS**Hα-helixtrans-74.6-36.6175.4-169137.7000112.2T198 K202 R203 L204T198-L200 PolarHBondContact O-N 3.36Å; L200-K202 VanDerWaalsContact C-N 3.32Å; L200-R203 PolarHBondContact O-N 2.96Å; L200-L204 HydrophobicContact CD2-CD1 3.52Å; L200-L204 HydrophobicContact CD2-CG 4.32Å; L200-L204 HydrophobicContact CG-CD1 4.43Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.01Å
201H68.9Low58.4Low114 Ų114129 Ų12953%0.52868%0.683SS.*Hα-helixtrans-62.1-41.4172.4-161.769.7000111.1E197 T198 R203 L204 S205E197-H201 HydrophobicContact CG-CB 4.34Å; T198-H201 WeakPolarHBondContact O-CA 3.49Å; T198-H201 VanDerWaalsContact O-CB 3.3Å; T198-H201 WeakPolarHBondContact O-CB 3.07Å; T198-H201 PolarHBondContact O-N 3.22Å; T198-H201 PolarHBondContact OG1-N 3.11Å; H201-R203 PolarHBondContact O-N 3.15Å; H201-L204 PolarHBondContact O-N 2.8Å; H201-S205 WeakPolarHBondContact O-CB 3.4Å; H201-S205 PolarHBondContact O-N 3.47Å; H201-S205 PolarHBondContact O-OG 2.79Å; H201-S205 VanDerWaalsContact O-OG 3.13Å
202K66.1Low58.4Low130 Ų130127.7 Ų127.757%0.56568%0.676SS**Hα-helixtrans-64.1-35.5176-167.5165.7-175.41650113.8T198 L200 S205 M206T198-K202 PolarHBondContact O-N 3.05Å; L200-K202 VanDerWaalsContact C-N 3.32Å; K202-S205 WeakPolarHBondContact CA-OG 3.38Å; K202-S205 PolarHBondContact O-OG 2.91Å; K202-M206 WeakPolarHBondContact O-CG 3.39Å; K202-M206 PolarHBondContact O-N 3.16Å
203R65.4Low58.6Low201 Ų201132.6 Ų132.676%0.75868%0.683SS**Hα-helixtrans-72.5-35.6174.3-82.4178.664.6-179.9-0.7112.8P199 L200 H201 S207P199-R203 PolarHBondContact O-N 3.24Å; L200-R203 PolarHBondContact O-N 2.96Å; H201-R203 PolarHBondContact O-N 3.15Å; R203-S207 PolarHBondContact O-OG 3.04Å
204L62.3Low58.6Low97 Ų97127 Ų12751%0.50868%0.675SS.*Hα-helixtrans-77.3-38.2178.9-71.2175.5000112.2L200 H201 M206 S207L200-L204 HydrophobicContact CD2-CD1 3.52Å; L200-L204 HydrophobicContact CD2-CG 4.32Å; L200-L204 HydrophobicContact CG-CD1 4.43Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.01Å; H201-L204 PolarHBondContact O-N 2.8Å; L204-M206 VanDerWaalsContact C-N 3.32Å; L204-M206 PolarHBondContact O-N 3.36Å; L204-S207 PolarHBondContact O-N 2.92Å; L204-S207 VanDerWaalsContact O-N 3.09Å
205S62.3Low58.3Low43 Ų43124.4 Ų124.430%0.30168%0.68SS.*Hα-helixtrans-64-37.5177.363.70000111.8H201 K202 S207 I209H201-S205 WeakPolarHBondContact O-CB 3.4Å; H201-S205 PolarHBondContact O-N 3.47Å; H201-S205 PolarHBondContact O-OG 2.79Å; H201-S205 VanDerWaalsContact O-OG 3.13Å; K202-S205 WeakPolarHBondContact CA-OG 3.38Å; K202-S205 PolarHBondContact O-OG 2.91Å; S205-S207 VanDerWaalsContact C-N 3.29Å; S205-S207 PolarHBondContact O-N 2.92Å; S205-I209 WeakPolarHBondContact O-CG1 3.16Å
206M60.9Low58.3Low138 Ų138126.1 Ų126.168%0.6868%0.68SS**THydrogen-bonded Turntrans-69.4-21.2173-75.3-58.4-35.800114.5K202 L204K202-M206 WeakPolarHBondContact O-CG 3.39Å; K202-M206 PolarHBondContact O-N 3.16Å; L204-M206 VanDerWaalsContact C-N 3.32Å; L204-M206 PolarHBondContact O-N 3.36Å
207S59.5Low57.9Low92 Ų92121.6 Ų121.664%0.64368%0.68SS**THydrogen-bonded Turntrans-87.4-10.1-177.7-63.70000113.7R203 L204 S205R203-S207 PolarHBondContact O-OG 3.04Å; L204-S207 PolarHBondContact O-N 2.92Å; L204-S207 VanDerWaalsContact O-N 3.09Å; S205-S207 VanDerWaalsContact C-N 3.29Å; S205-S207 PolarHBondContact O-N 2.92Å
208L57.1Low57.6Low151 Ų151121.4 Ų121.479%0.79169%0.692SS**SBendtrans-101.19.2-172.1-76.7171.5000115.2
209I58.2Low57Low121 Ų121126.3 Ų126.362%0.62171%0.709SS**  trans-121.538.8-169.5-24.1175.6000114.6S205S205-I209 WeakPolarHBondContact O-CG1 3.16Å
210T53.3Low56.1Low116 Ų116126.9 Ų126.971%0.71271%0.71SS**  trans-134.960.5167.461.60000111.8
211C49.3Very low54.9Low134 Ų134130.8 Ų130.891%0.90572%0.722SS**  trans-111.879.5151.6-69.90000106.5E213C211-E213 PolarHBondContact O-N 3.05Å; C211-E213 VanDerWaalsContact O-N 3.16Å
212H45.1Very low53.9Low170 Ų170130.3 Ų130.379%0.78774%0.738SS**  trans-68109.7166.8-70.6-74.3000107.9G214H212-G214 PolarHBondContact O-N 2.78Å
213E59.2Low53Low200 Ų200132.6 Ų132.694%0.93575%0.751SS**  trans-65.9117.3160.9-176.1170.1-170.600108C211C211-E213 PolarHBondContact O-N 3.05Å; C211-E213 VanDerWaalsContact O-N 3.16Å
214G51.6Low52.1Low69 Ų69130.3 Ų130.371%0.71175%0.752SS**  trans167.9127.317300000116.5H212H212-G214 PolarHBondContact O-N 2.78Å
215A43.3Very low51.2Low99 Ų99134.5 Ų134.582%0.81877%0.769SS**  trans84.799.8152.100000118.9S217A215-S217 PolarHBondContact O-N 3.23Å
216T52.9Low50.3Low141 Ų141141.3 Ų141.387%0.86580%0.795SS**  trans-55.5107149.148.30000110.5
217S44.8Very low49.4Very low113 Ų113143.5 Ų143.579%0.7980%0.804SS**  trans-95.488.7161.7176.70000108.4A215A215-S217 PolarHBondContact O-N 3.23Å
218S50.7Low48.6Very low110 Ų110145.2 Ų145.277%0.76982%0.816SS**  trans-73.7150.2149.8-79.60000107.6
219Q50.3Low47.8Very low184 Ų184150 Ų15086%0.8682%0.823SS**  trans89.271169.7-1611746.300116.4
220V48Very low46.9Very low122 Ų122147.4 Ų147.474%0.73982%0.82SS**  trans-154.2143.5130.3-179.30000106.2
221F43.2Very low46.2Very low202 Ų202151.5 Ų151.589%0.88683%0.828SS**  trans113.554.5178.6-56.1-59.7000114.1
222A48Very low45.7Very low104 Ų104149.9 Ų149.986%0.8682%0.819SS**  trans-136.962.4155.700000108
223E47Very low45.6Very low178 Ų178150.6 Ų150.683%0.83282%0.822SS**  trans-163.6150.5167.9-148.6158.6-174.300108.5
224I47.1Very low45Very low152 Ų152146.8 Ų146.878%0.77982%0.815SS**  trans8672.4-172.8-41.3162.6000113.6
225H44Very low44.5Very low185 Ų185150.2 Ų150.286%0.85682%0.817SS**  trans-163.264.5135.2-93.7-66.6000109.4
226H43.8Very low44.6Very low186 Ų186151.9 Ų151.986%0.86182%0.817SS**  trans-123.9140.2154.1-77-64.7000107.8
227E40.9Very low44.3Very low185 Ų185152.7 Ų152.786%0.86481%0.811SS**  trans98.286.2177.6-55.3-177.1-16500116.5
228S43Very low44.2Very low128 Ų128155.8 Ų155.890%0.89581%0.81SS**  -172.586.8120.7-84.60000110.1
229R41.1Very low43.8Very low251 Ų251157.6 Ų157.695%0.94781%0.811SS**  trans-87.4113.1158.7177-175-166.2-179.84.4106.4
230A38.9Very low43.9Very low67 Ų67157.4 Ų157.455%0.55481%0.81SS**  trans165.4149.5136.400000111.8
231F37.1Very low44Very low201 Ų201158.7 Ų158.788%0.88282%0.818SS**  trans80.2127.4166.6-53.4-71.1000115.7
232S38.6Very low44.2Very low100 Ų100155.4 Ų155.470%0.69981%0.814SS**  cis-162.9146.90.2-75.90000107.8
233E43.7Very low44.3Very low185 Ų185158 Ų15886%0.86481%0.813SS**  trans-63.6149.2156.6-70.2-177.415800109.6
234P46.3Very low44.6Very low120 Ų120152.5 Ų152.578%0.77981%0.805SS**  -137.2128.4118.432.3-18.1000113.2V236P234-V236 PolarHBondContact O-N 2.82Å
235N41.9Very low44.8Very low141 Ų141150.4 Ų150.475%0.75480%0.799SS**  trans-51.7117.8155.2174.8-4.6000111.2
236V46.1Very low45.1Very low134 Ų134148.4 Ų148.481%0.81280%0.795SS**  trans-143.2107.5146.8177.90000109.1P234P234-V236 PolarHBondContact O-N 2.82Å
237E46.3Very low45.6Very low159 Ų159145.6 Ų145.674%0.74378%0.781SS**  trans-58122.9155.4-174.5180-145.500110.5
238K42.7Very low46.2Very low178 Ų178140.6 Ų140.677%0.77477%0.772SS**  trans174.1134.9130.3-97166.7-174.2173.30115.3
239D41.6Very low46.9Very low148 Ų148143.1 Ų143.179%0.79176%0.763SS**  trans69.1124.5143.3-75.3-30.6000122.6
240Q52.5Low47.5Very low180 Ų180135 Ų13584%0.84175%0.749SS**  trans-64.2136.4173.5-58163.230.100111.2
241V49.2Very low47.6Very low148 Ų148139.9 Ų139.990%0.89776%0.76SS**  trans-145.9130.8137.1175.90000109
242V48.5Very low47.9Very low134 Ų134136.2 Ų136.281%0.81276%0.759SS**  trans-57.8133.4176.2172.70000112.8
243D49.4Very low48.2Very low157 Ų157136.4 Ų136.484%0.8476%0.761SS**  trans173.9106.7130.7-15424000106.6
244G52.7Low48.1Very low63 Ų63133.6 Ų133.665%0.64976%0.756SS**  10729.258.500000113.3
245V53.2Low47.8Very low109 Ų109133.7 Ų133.766%0.66176%0.755SS**  trans-144.9107.8164.9-174.10000111.2H247V245-H247 WeakPolarHBondContact CG1-CE1 3.3Å; V245-H247 WeakPolarHBondContact CG1-NE2 3.43Å
246D48.5Very low47.9Very low143 Ų143132.8 Ų132.877%0.76575%0.754SS**  trans-84.6110.3179.2-152.1-4.8000109.5
247H56.2Low47.9Very low126 Ų126134.3 Ų134.358%0.58375%0.752SS**  trans-121.250.5175.7-70-26.5000111V245 Y249V245-H247 WeakPolarHBondContact CG1-CE1 3.3Å; V245-H247 WeakPolarHBondContact CG1-NE2 3.43Å; H247-Y249 HydrophobicContact CB-CE1 4.16Å; H247-Y249 AromaticContact ND1-CE1 3.6Å; H247-Y249 AromaticContact ND1-CZ 3.72Å; H247-Y249 PolarHBondContact ND1-OH 3.09Å; H247-Y249 VanDerWaalsContact ND1-OH 3.13Å; H247-Y249 PolarHBondContact O-N 2.77Å
248A53Low48Very low80 Ų80132.2 Ų132.266%0.66175%0.752SS**  trans-94.549.5178.600000113.5
249Y58Low47.8Very low182 Ų182133.7 Ų133.771%0.71476%0.759SS**  trans-1069.4177.236.1-99.9000115.4H247H247-Y249 HydrophobicContact CB-CE1 4.16Å; H247-Y249 AromaticContact ND1-CE1 3.6Å; H247-Y249 AromaticContact ND1-CZ 3.72Å; H247-Y249 PolarHBondContact ND1-OH 3.09Å; H247-Y249 VanDerWaalsContact ND1-OH 3.13Å; H247-Y249 PolarHBondContact O-N 2.77Å
250A53.8Low47.7Very low79 Ų79135.3 Ų135.365%0.65376%0.761SS**  trans-137.935.5-17400000116.4
251H41.2Very low47.4Very low171 Ų171131.6 Ų131.679%0.79276%0.761SS**  trans-119.992.9168.7-66-69.9000111.4S253H251-S253 VanDerWaalsContact C-N 3.34Å; H251-S253 PolarHBondContact O-N 2.98Å; H251-S253 VanDerWaalsContact O-N 3.14Å
252S42.1Very low47.3Very low123 Ų123133.5 Ų133.586%0.8676%0.761SS**  trans-78.583166.6-69.20000109.6V254S252-V254 PolarHBondContact O-N 3.37Å
253S45Very low47Very low105 Ų105136 Ų13673%0.73476%0.76SS**  trans-85.988.2169.8-65.70000109.3H251 T255H251-S253 VanDerWaalsContact C-N 3.34Å; H251-S253 PolarHBondContact O-N 2.98Å; H251-S253 VanDerWaalsContact O-N 3.14Å; S253-T255 PolarHBondContact O-N 3.01Å
254V42.3Very low46.5Very low125 Ų125135.6 Ų135.676%0.75876%0.764SS**  trans-78.594.4166.5167.10000108S252 V256S252-V254 PolarHBondContact O-N 3.37Å; V254-V256 HydrophobicContact CG1-CG2 3.76Å; V254-V256 PolarHBondContact O-N 2.91Å
255T40.6Very low46Very low123 Ų123140.9 Ų140.976%0.75577%0.769SS**  trans-80.598.7166.1-57.90000108.5S253 Q257S253-T255 PolarHBondContact O-N 3.01Å; T255-Q257 PolarHBondContact O-N 3.14Å
256V43.6Very low45.4Very low121 Ų121140.8 Ų140.873%0.73377%0.773SS**  trans-82.7108.7165178.40000107.7V254V254-V256 HydrophobicContact CG1-CG2 3.76Å; V254-V256 PolarHBondContact O-N 2.91Å
257Q45.6Very low45.7Very low167 Ų167139.5 Ų139.578%0.7877%0.773SS**  trans-70.5141.6165.7-90.5-159.85.200110.7T255T255-Q257 PolarHBondContact O-N 3.14Å
258P48.4Very low45Very low115 Ų115141.4 Ų141.475%0.74779%0.786SS**  trans-81.9126.3178.732.4-30.4000110.3Q260P258-Q260 PolarHBondContact O-N 2.91Å
259K39.3Very low45.1Very low209 Ų209143 Ų14391%0.90979%0.79SS**  trans-90.8101.6167.6-142174.3-173.4177.80108.2A261K259-A261 PolarHBondContact O-N 3.34Å
260Q38.9Very low44.7Very low181 Ų181140 Ų14085%0.84679%0.793SS**  trans-62127.8168.7-77.4179.4-27.900109.5P258P258-Q260 PolarHBondContact O-N 2.91Å
261A45.6Very low44.4Very low102 Ų102142.1 Ų142.184%0.84380%0.803SS**  trans-100.3113.5164.400000107.8K259K259-A261 PolarHBondContact O-N 3.34Å
262E48Very low44.6Very low189 Ų189142.9 Ų142.988%0.88381%0.807SS**  trans-69.2148.9173-81.2-172.4146.400112.1
263K40.8Very low44.8Very low185 Ų185146 Ų14680%0.80481%0.808SS**  trans-87.1127.4-176.7-176.3-178.2-172.9177.80108.6
264T40.6Very low44.9Very low149 Ų149146.8 Ų146.891%0.91481%0.811SS**  trans-140.6135157.3-60.40000109.6
265K42.3Very low44.6Very low174 Ų174150.2 Ų150.276%0.75782%0.818SS**  trans-121129-160.8-159-177.7-173.5-173.50109.5
266S39.6Very low44.8Very low107 Ų107148.4 Ų148.475%0.74882%0.816SS**  trans73.2165.6150.980.30000120.7
267P55.3Low44.8Very low117 Ų117148.9 Ų148.976%0.7682%0.822SS**  cis-132.9166.1-33.726.9-5.2000115.7
268L42.2Very low44.5Very low165 Ų165146 Ų14686%0.86482%0.82SS**  trans-28.5172.9165.9-76.1152.9000120.2
269P53.3Low44.6Very low113 Ų113146.1 Ų146.173%0.73482%0.821SS**  cis-142.3-155.120.151.2-30.9000114.8
270P50.6Low44.9Very low121 Ų121144.9 Ų144.979%0.78682%0.818SS**  -103.6155.2-128.631.9-9.8000114.7
271S47.4Very low45.3Very low122 Ų122145.2 Ų145.285%0.85382%0.82SS**  trans-135.4115.7164-1640000109.7
272E46.2Very low45.2Very low188 Ų188146.3 Ų146.388%0.87982%0.816SS**  trans-68.6122.3174.8-68.6171.8137.300110.1
273Q45.5Very low45.5Very low187 Ų187142.6 Ų142.687%0.87481%0.808SS**  trans-152.6141.6145.4-114.1-174.3-78.400110.5
274P47.7Very low45.8Very low123 Ų123140 Ų14080%0.79981%0.807SS**  trans-89.3120.3-177.733.3-26.6000109.6
275E35.7Very low45.8Very low196 Ų196137.8 Ų137.892%0.91680%0.797SS**  trans-136145.2168.8-147.6167-165.900111.4
276A44.1Very low46Very low86 Ų86136.2 Ų136.271%0.71180%0.802SS**PPolyproline II helixtrans-53159-157.900000117.1S278A276-S278 PolarHBondContact O-N 3.13Å
277P44.3Very low46.9Very low131 Ų131133.2 Ų133.285%0.85179%0.788SS**PPolyproline II helixtrans-67.3118.3-179.927.3-33.5000111.6
278S39.4Very low47Very low107 Ų107136 Ų13675%0.74880%0.795SS**PPolyproline II helixtrans-70.4140.7166.6-176.80000110.2A276 E280A276-S278 PolarHBondContact O-N 3.13Å; S278-E280 PolarHBondContact O-N 3.24Å
279P49.2Very low47.7Very low117 Ų117138.6 Ų138.676%0.7679%0.793SS**PPolyproline II helixtrans-68.2125-178.127-32.2000111.2Q281P279-Q281 PolarHBondContact O-N 3.02Å
280E45.6Very low47.8Very low183 Ų183138.1 Ų138.186%0.85579%0.791SS**  trans-49.9115.9175.5-158.6166.3-174.500111.3S278 V282S278-E280 PolarHBondContact O-N 3.24Å; E280-V282 PolarHBondContact O-N 3.13Å; E280-V282 VanDerWaalsContact O-N 3.14Å
281Q47.5Very low48.2Very low188 Ų188137.4 Ų137.488%0.87979%0.787SS**  trans-68109.5169.5-71.3-176.69.500108.4P279 P283P279-Q281 PolarHBondContact O-N 3.02Å; Q281-P283 VanDerWaalsContact O-CD 3.3Å; Q281-P283 WeakPolarHBondContact O-CD 3.42Å
282V43.5Very low48.8Very low125 Ų125137.9 Ų137.976%0.75879%0.785SS**  trans-67.1118.2172.4-171.10000108E280 V284E280-V282 PolarHBondContact O-N 3.13Å; E280-V282 VanDerWaalsContact O-N 3.14Å; V282-V284 PolarHBondContact O-N 3.01Å
283P55.4Low49.5Very low110 Ų110137.8 Ų137.871%0.71478%0.781SS**  trans-65.2120174.324.8-31.3000109.1Q281 C285Q281-P283 VanDerWaalsContact O-CD 3.3Å; Q281-P283 WeakPolarHBondContact O-CD 3.42Å; P283-C285 PolarHBondContact O-N 2.8Å
284V45.5Very low50.3Low131 Ų131134 Ų13479%0.79477%0.767SS**  trans-64.596.8171.7179.80000107.5V282 T286V282-V284 PolarHBondContact O-N 3.01Å; V284-T286 HydrophobicContact CG1-CG2 4.23Å; V284-T286 PolarHBondContact O-N 2.88Å
285C41.2Very low50.8Low103 Ų103137.1 Ų137.170%0.69677%0.774SS**  trans-85.894.1-179.6-153.70000108.7P283 G287P283-C285 PolarHBondContact O-N 2.8Å; C285-G287 PolarHBondContact O-N 3.13Å
286T47.1Very low52.5Low140 Ų140136.8 Ų136.886%0.85977%0.769SS**  trans-78.940.7174.442.90000112.7V284V284-T286 HydrophobicContact CG1-CG2 4.23Å; V284-T286 PolarHBondContact O-N 2.88Å
287G58.8Low53.3Low45 Ų45135.3 Ų135.346%0.46475%0.753SS.*SBendtrans-136141.6-178.400000111.8C285 R289C285-G287 PolarHBondContact O-N 3.13Å; G287-R289 PolarHBondContact O-N 3.38Å
288I56.3Low53.7Low176 Ų176135.4 Ų135.490%0.90375%0.754SS**  trans-59.6102.1177.4-39.2172.4000107.7C290I288-C290 PolarHBondContact O-N 3.14Å; I288-C290 VanDerWaalsContact O-N 3.16Å
289R58Low54.3Low219 Ų219134.6 Ų134.683%0.82675%0.749SS**  trans-76104.4-178.3-164.6-179.1-154.2-179.56.7108.4G287G287-R289 PolarHBondContact O-N 3.38Å
290C54.1Low54.7Low103 Ų103137.7 Ų137.770%0.69675%0.753SS**  trans-58.4137.6169.3-64.10000109.3I288 T292I288-C290 PolarHBondContact O-N 3.14Å; I288-C290 VanDerWaalsContact O-N 3.16Å; C290-T292 PolarHBondContact O-N 3.09Å; C290-T292 VanDerWaalsContact O-N 3.14Å
291P60.9Low55Low106 Ų106136.7 Ų136.769%0.68875%0.753SS**  trans-61.5119.4176.223.3-30.6000109.3F293P291-F293 PolarHBondContact O-N 3.24Å
292T58Low55.4Low132 Ų132134.6 Ų134.681%0.8174%0.743SS**  trans-71.6113.6173.6-47.50000107.9C290 D294C290-T292 PolarHBondContact O-N 3.09Å; C290-T292 VanDerWaalsContact O-N 3.14Å; T292-D294 PolarHBondContact O-N 3.46Å
293F61.1Low55.9Low185 Ų185137.9 Ų137.981%0.81175%0.747SS**  trans-73.4112.9174.2-76.1-88.6000109.3P291 M295P291-F293 PolarHBondContact O-N 3.24Å; F293-M295 PolarHBondContact O-N 3.39Å
294D62.7Low56.4Low108 Ų108139.9 Ų139.958%0.57875%0.745SS**  trans-80.8112.3171-179.26.6000109.5T292 K296 S297T292-D294 PolarHBondContact O-N 3.46Å; D294-K296 PolarHBondContact O-N 3.39Å; D294-K296 VanDerWaalsContact O-N 3.15Å; D294-K296 WeakPolarHBondContact OD1-CB 3.47Å; D294-K296 PolarHBondContact OD1-N 2.76Å; D294-S297 PolarHBondContact O-N 2.8Å
295M59.6Low56.9Low189 Ų189136.5 Ų136.593%0.93173%0.725SS**THydrogen-bonded Turntrans-66.9-9.1178.4-67.7-167.67100113.7F293F293-M295 PolarHBondContact O-N 3.39Å
296K70.9Confident58.1Low188 Ų188140.9 Ų140.982%0.81774%0.736SS**THydrogen-bonded Turntrans-99.5-1.4178.1-61.1-169.5178.6-177.20113.6D294 P298D294-K296 PolarHBondContact O-N 3.39Å; D294-K296 VanDerWaalsContact O-N 3.15Å; D294-K296 WeakPolarHBondContact OD1-CB 3.47Å; D294-K296 PolarHBondContact OD1-N 2.76Å; K296-P298 WeakPolarHBondContact O-CD 3.35Å
297S60Low58.4Low55 Ų55145.2 Ų145.239%0.38574%0.736SS.*  trans-79.2118.8179.8-162.60000110.8D294 S299D294-S297 PolarHBondContact O-N 2.8Å; S297-S299 PolarHBondContact O-N 3.01Å; S297-S299 PolarHBondContact OG-OG 2.94Å; S297-S299 VanDerWaalsContact OG-OG 3.09Å
298P54Low58.1Low134 Ų134150.2 Ų150.287%0.8775%0.752SS**  trans-75.815-177.432.3-33.9000113K296 Q300K296-P298 WeakPolarHBondContact O-CD 3.35Å; P298-Q300 VanDerWaalsContact C-N 3.29Å; P298-Q300 PolarHBondContact O-N 3.43Å
299S50.8Low57.7Low90 Ų90144.7 Ų144.763%0.62974%0.738SS**  trans-92.530.4-178.360.70000113.3S297 L301S297-S299 PolarHBondContact O-N 3.01Å; S297-S299 PolarHBondContact OG-OG 2.94Å; S297-S299 VanDerWaalsContact OG-OG 3.09Å; S299-L301 PolarHBondContact O-N 3.04Å
300Q57.4Low57.6Low181 Ų181145 Ų14585%0.84675%0.746SS**  trans-67.972.3162.2-79.8-176.2-9.500109.5P298 E302P298-Q300 VanDerWaalsContact C-N 3.29Å; P298-Q300 PolarHBondContact O-N 3.43Å; Q300-E302 PolarHBondContact O-N 3.44Å; Q300-E302 VanDerWaalsContact O-N 3.13Å
301L52.4Low57.6Low163 Ų163143.3 Ų143.385%0.85375%0.745SS**  trans-65.8107.9154.5-126.896.6000105.3S299 F303S299-L301 PolarHBondContact O-N 3.04Å; L301-F303 PolarHBondContact O-N 2.85Å
302E56Low57.2Low143 Ų143148.8 Ų148.867%0.66876%0.759SS**  trans-45101.8169.6-71.8-177.8160.600109.1Q300 K304Q300-E302 PolarHBondContact O-N 3.44Å; Q300-E302 VanDerWaalsContact O-N 3.13Å; E302-K304 HydrophobicContact CB-CG 4.36Å; E302-K304 PolarHBondContact O-N 3.35Å; E302-K304 WeakPolarHBondContact OE2-CE 3.49Å; E302-K304 IonicContact OE2-NZ 3.05Å; E302-K304 PolarHBondContact OE2-NZ 3.17Å
303F54.8Low57.1Low194 Ų194146.1 Ų146.185%0.85176%0.757SS**  trans-72.682.7170.8-164-93.5000106.6L301 P305L301-F303 PolarHBondContact O-N 2.85Å; F303-P305 WeakPolarHBondContact O-CD 3.22Å
304K64.6Low56.2Low152 Ų152142 Ų14266%0.66176%0.758SS**  trans-75.5110171-75.1-169.2172.9155.70107.5E302 Q306E302-K304 HydrophobicContact CB-CG 4.36Å; E302-K304 PolarHBondContact O-N 3.35Å; E302-K304 WeakPolarHBondContact OE2-CE 3.49Å; E302-K304 IonicContact OE2-NZ 3.05Å; E302-K304 PolarHBondContact OE2-NZ 3.17Å; K304-Q306 PolarHBondContact O-N 3.25Å
305P56.9Low55.7Low60 Ų60144.1 Ų144.139%0.3977%0.774SS.*  trans-59.7105173.820.9-29.9000109.6F303 W307 L308F303-P305 WeakPolarHBondContact O-CD 3.22Å; P305-W307 HydrophobicContact CB-CG 4.35Å; P305-W307 PolarHBondContact O-N 3.29Å; P305-L308 PolarHBondContact O-N 3.02Å; P305-L308 VanDerWaalsContact O-N 3.13Å
306Q66.9Low55Low196 Ų196138.5 Ų138.592%0.91677%0.765SS**THydrogen-bonded Turntrans-65.6-4.6-178.2-167.4172.81.200113.7K304 L308K304-Q306 PolarHBondContact O-N 3.25Å; Q306-L308 VanDerWaalsContact C-N 3.34Å
307W51.8Low53.7Low230 Ų230137.4 Ų137.487%0.87177%0.767SS**THydrogen-bonded Turntrans-82.6-10174.254.6-70.8000113.4P305 G309P305-W307 HydrophobicContact CB-CG 4.35Å; P305-W307 PolarHBondContact O-N 3.29Å; W307-G309 VanDerWaalsContact C-N 3.32Å; W307-G309 PolarHBondContact O-N 2.98Å
308L53.1Low52.9Low150 Ų150146.7 Ų146.779%0.78579%0.794SS**SBendtrans-78.490166.2-157.771.7000108.2P305 Q306 K310P305-L308 PolarHBondContact O-N 3.02Å; P305-L308 VanDerWaalsContact O-N 3.13Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 3.35Å
309G47.6Very low52.4Low60 Ų60145.1 Ų145.162%0.61979%0.786SS**  trans-45129.9-178.500000112.3W307 G311W307-G309 VanDerWaalsContact C-N 3.32Å; W307-G309 PolarHBondContact O-N 2.98Å; G309-G311 VanDerWaalsContact C-N 3.27Å; G309-G311 PolarHBondContact O-N 3.44Å
310K55.5Low52.2Low226 Ų226153.1 Ų153.198%0.98380%0.802SS**THydrogen-bonded Turntrans-67.485.9173-157.4142.4-179.2174.10108.3L308L308-K310 PolarHBondContact O-N 3.35Å
311G53.7Low51.3Low67 Ų67148.2 Ų148.269%0.69180%0.801SS**THydrogen-bonded Turntrans-171.90.5-175.100000117.3G309G309-G311 VanDerWaalsContact C-N 3.27Å; G309-G311 PolarHBondContact O-N 3.44Å
312F54.1Low51.1Low222 Ų222147.4 Ų147.497%0.97480%0.802SS**SBendtrans-101.992.7173.2-104.8-92.7000110.5
313G54.7Low50.3Low75 Ų75149.6 Ų149.677%0.77381%0.813SS**SBendtrans139.178.9166.900000114.1
314A43.7Very low50Low99 Ų99143.4 Ų143.482%0.81880%0.803SS**  trans-178.8104.2143.300000108.6G316A314-G316 PolarHBondContact O-N 2.82Å; A314-G316 VanDerWaalsContact O-N 3.15Å
315T51.5Low48.9Very low152 Ų152143.6 Ų143.693%0.93381%0.811SS**  trans-59.8106.4160.636.80000109.3
316G44.3Very low48.7Very low71 Ų71150.2 Ų150.273%0.73283%0.834SS**  trans-115.4103.8164.300000109.3A314 R318A314-G316 PolarHBondContact O-N 2.82Å; A314-G316 VanDerWaalsContact O-N 3.15Å; G316-R318 PolarHBondContact O-N 3.32Å
317L43.9Very low48.2Very low165 Ų165145 Ų14586%0.86483%0.832SS**  trans-52.7128.1159.8-93.199.4000109
318R43Very low47.7Very low251 Ų251139.4 Ų139.495%0.94783%0.829SS**  trans-130117.7143.9-79.8-164.1-177.3-128.31110.1G316G316-R318 PolarHBondContact O-N 3.32Å
319S44.3Very low47.5Very low101 Ų101138 Ų13871%0.70683%0.832SS**  trans-82.3149.8170.426.80000111
320R46.3Very low47.4Very low257 Ų257139.9 Ų139.997%0.9784%0.835SS**  trans67.1127162.9-81.2-169.5174-1510.5120.4
321G39.1Very low47.2Very low79 Ų79135.2 Ų135.281%0.81483%0.828SS**  trans170.980.115800000113.3Q323G321-Q323 PolarHBondContact O-N 3.02Å
322V47.2Very low46.9Very low145 Ų145139.6 Ų139.688%0.87984%0.835SS**  trans-64.4118.4171.9167.70000110.4
323Q39.9Very low46.4Very low190 Ų190132.7 Ų132.789%0.88882%0.819SS**  trans-174.9131.2133.4-119.7172.8-33.600110.7G321G321-Q323 PolarHBondContact O-N 3.02Å
324G47.7Very low46Very low64 Ų64135.6 Ų135.666%0.6682%0.821SS**  trans-79.2163.1-16300000116.6
325N41Very low46Very low155 Ų155141.9 Ų141.983%0.82982%0.823SS**  -171.7133121.3-97.8-30.3000110.7
326K53.3Low45.6Very low200 Ų200140.5 Ų140.587%0.8781%0.814SS**  trans37111.5149.5-72.5170.3174.2173.20118.8
327G55.8Low45.4Very low85 Ų85141.7 Ų141.788%0.87682%0.817SS**  95.784.8128.800000116.3
328S41.4Very low45.3Very low114 Ų114139.3 Ų139.380%0.79781%0.809SS**  trans-136.2115.5152.354.60000109.1S330S328-S330 PolarHBondContact O-N 2.95Å
329S50Low45.6Very low121 Ų121136 Ų13685%0.84680%0.802SS**  trans-72.6117.5171.863.20000109.1
330S45.4Very low45.5Very low98 Ų98138.4 Ų138.469%0.68581%0.807SS**  trans-85130.9163.1-67.40000109.3S328 L332S328-S330 PolarHBondContact O-N 2.95Å; S330-L332 VanDerWaalsContact C-N 3.26Å; S330-L332 PolarHBondContact O-N 3.44Å
331P51Low45.4Very low128 Ų128133.7 Ų133.783%0.83180%0.8SS**SBendtrans-81.712-175.132-34.6000115
332L48.2Very low45.7Very low160 Ų160133 Ų13384%0.83879%0.793SS**  trans-134.148.8-173.6-76.1165.8000112.9S330S330-L332 VanDerWaalsContact C-N 3.26Å; S330-L332 PolarHBondContact O-N 3.44Å
333A42.3Very low45.7Very low77 Ų77133 Ų13364%0.63679%0.788SS**  trans-104.394166.700000109.5R335A333-R335 PolarHBondContact O-N 3.26Å
334V47.6Very low46.2Very low135 Ų135132.8 Ų132.882%0.81879%0.787SS**  trans-64.6100.2165.5177.70000107.1V336V334-V336 PolarHBondContact O-N 3.24Å
335R42.7Very low46.4Very low231 Ų231137 Ų13787%0.87279%0.794SS**  trans-79.5104.3170.5-68.3-173-179.8-1370.3107.9A333 A337A333-R335 PolarHBondContact O-N 3.26Å; R335-A337 PolarHBondContact O-N 3.17Å; R335-A337 VanDerWaalsContact O-N 3.14Å
336V43.8Very low47Very low123 Ų123139.9 Ų139.975%0.74580%0.799SS**  trans-63.7108.21611780000107V334 V338V334-V336 PolarHBondContact O-N 3.24Å; V336-V338 PolarHBondContact O-N 3.13Å
337A39.2Very low46.6Very low96 Ų96134 Ų13479%0.79380%0.796SS**  trans-78.7100174.700000109R335 K339R335-A337 PolarHBondContact O-N 3.17Å; R335-A337 VanDerWaalsContact O-N 3.14Å; A337-K339 PolarHBondContact O-N 3.45Å
338V41.7Very low45.9Very low115 Ų115138.9 Ų138.970%0.69780%0.795SS**  trans-73.8112.9163.5176.80000107.5V336 N340V336-V338 PolarHBondContact O-N 3.13Å; V338-N340 PolarHBondContact O-N 3.38Å; V338-N340 VanDerWaalsContact O-N 3.17Å
339K49.1Very low46.3Very low182 Ų182138.9 Ų138.979%0.79180%0.795SS**  trans-74.995.8178.2-174.2176.5-179.8-178.90109.2A337A337-K339 PolarHBondContact O-N 3.45Å
340N41.9Very low45.7Very low152 Ų152136.6 Ų136.681%0.81379%0.791SS**  trans-85.5120.8166.4-78.7-31.1000109.8V338V338-N340 PolarHBondContact O-N 3.38Å; V338-N340 VanDerWaalsContact O-N 3.17Å
341I45.1Very low45.8Very low158 Ų158141.4 Ų141.481%0.8180%0.8SS**  trans-84.5130.7173.3-70.5157.2000107.8
342G45.9Very low45.2Very low65 Ų65143.2 Ų143.267%0.6780%0.801SS**  trans110.492.9162.200000115.3
343N46Very low45.2Very low145 Ų145144.2 Ų144.278%0.77580%0.799SS**  -171.4141109.860.753.8000110.7
344E51.8Low45.5Very low185 Ų185149.9 Ų149.986%0.86481%0.812SS**  trans-88.4119.4174.5-58.2176.1172.500107.2
345N51.1Low45.8Very low153 Ų153151.9 Ų151.982%0.81881%0.81SS**  trans-143.2119.2157.9-88.9-46.5000110.5
346K54.8Low45.8Very low215 Ų215144.4 Ų144.494%0.93580%0.804SS**  trans-68.4130.1177.6-64.4-165.2174.4-170.90110
347G43.5Very low46.1Very low77 Ų77143.9 Ų143.979%0.79480%0.801SS**  trans-150.3107.7169.600000109.9
348Q41.5Very low46.5Very low187 Ų187145.2 Ų145.287%0.87479%0.791SS**  trans-69.5138.3-173.9-82.7-177.7-37.700114.5
349S49.3Very low46.9Very low114 Ų114144.1 Ų144.180%0.79780%0.804SS**  trans40.7135.1133.170.90000123.8
350G38.9Very low47Very low73 Ų73140.4 Ų140.475%0.75379%0.785SS**  trans123.1134.1149.900000112
351K45.5Very low47.6Very low199 Ų199136.3 Ų136.387%0.86577%0.768SS**  cis-158.1133.98.2-89-173.1179.3178.50105.6
352L40.3Very low48Very low165 Ų165133.5 Ų133.586%0.86476%0.76SS**  90.5130.5104.1-152.3137.2000115
353K47.7Very low48.4Very low181 Ų181136.7 Ų136.779%0.78776%0.761SS**  trans-39.1141.5-171.4-68.4-160.5173.2-170.60117.5
354Q47.1Very low48.9Very low197 Ų197135 Ų13592%0.92175%0.749SS**  -131.8116.5129.6-157.5171-12.200110.3G356Q354-G356 PolarHBondContact O-N 3.26Å
355K53.9Low49.2Very low177 Ų177131.2 Ų131.277%0.7773%0.733SS**  trans-77.993.5178-173-173.7-178.1-161.20107.4
356G44.2Very low49.3Very low73 Ų73129.6 Ų129.675%0.75372%0.724SS**  trans-96.9107.516700000108.8Q354Q354-G356 PolarHBondContact O-N 3.26Å
357T49.9Very low49.4Very low112 Ų112127.8 Ų127.869%0.68772%0.716SS**  trans-62.6132.3176.833.80000111.6
358E46.9Very low50Low124 Ų124130.4 Ų130.458%0.57971%0.707SS**  trans63.192.9148.8-78179137.200118.4R360E358-R360 HydrophobicContact CB-CG 4.03Å; E358-R360 HydrophobicContact CG-CG 4.32Å; E358-R360 PolarHBondContact O-N 3.03Å; E358-R360 IonicContact OE1-CZ 2.94Å; E358-R360 VanDerWaalsContact OE1-CZ 3.25Å; E358-R360 IonicContact OE1-NE 2.79Å; E358-R360 PolarHBondContact OE1-NE 3.17Å; E358-R360 IonicContact OE1-NH2 3.25Å; E358-R360 PolarHBondContact OE1-NH2 3.29Å; E358-R360 IonicContact OE2-CZ 3.3Å; E358-R360 IonicContact OE2-NE 3.25Å; E358-R360 PolarHBondContact OE2-NE 2.85Å; E358-R360 IonicContact OE2-NH2 3.43Å; E358-R360 PolarHBondContact OE2-NH2 2.91Å
359G50.6Low50.7Low93 Ų93126.6 Ų126.696%0.95970%0.697SS**  trans-67.371.6145.500000110.5
360R51.8Low50.7Low104 Ų104127.4 Ų127.439%0.39269%0.692SS.*  trans-72.8126.2169.7-86.4173.5-174.6-154.96.1108.9E358 E368E358-R360 HydrophobicContact CB-CG 4.03Å; E358-R360 HydrophobicContact CG-CG 4.32Å; E358-R360 PolarHBondContact O-N 3.03Å; E358-R360 IonicContact OE1-CZ 2.94Å; E358-R360 VanDerWaalsContact OE1-CZ 3.25Å; E358-R360 IonicContact OE1-NE 2.79Å; E358-R360 PolarHBondContact OE1-NE 3.17Å; E358-R360 IonicContact OE1-NH2 3.25Å; E358-R360 PolarHBondContact OE1-NH2 3.29Å; E358-R360 IonicContact OE2-CZ 3.3Å; E358-R360 IonicContact OE2-NE 3.25Å; E358-R360 PolarHBondContact OE2-NE 2.85Å; E358-R360 IonicContact OE2-NH2 3.43Å; E358-R360 PolarHBondContact OE2-NH2 2.91Å; R360-E368 IonicContact NH1-OE1 3.83Å; R360-E368 PolarHBondContact NH1-OE1 3.09Å; R360-E368 IonicContact NH1-OE2 3.77Å; R360-E368 PolarHBondContact NH1-OE2 2.88Å
361S54.4Low51.2Low65 Ų65128.2 Ų128.246%0.45569%0.687SS.*  trans-58.2134.3174.6-166.80000109.4L363 Q364S361-L363 PolarHBondContact O-N 3.15Å; S361-Q364 PolarHBondContact O-N 2.97Å
362P53Low51.5Low99 Ų99124.9 Ų124.964%0.64369%0.685SS**Hα-helixtrans-58.5-17.1-173.416.8-28.2000114.5Q364P362-Q364 VanDerWaalsContact C-N 3.35Å
363L54.5Low52.1Low132 Ų132127.7 Ų127.769%0.69168%0.684SS**Hα-helixtrans-73.2-21175.6-66.9171.9000114.2S361S361-L363 PolarHBondContact O-N 3.15Å
364Q56.9Low52.1Low111 Ų111126.2 Ų126.252%0.51969%0.685SS.*Hα-helixtrans-80.3-26.9-179.9-81.6174.9-50.100113.1S361 P362 L366 K367S361-Q364 PolarHBondContact O-N 2.97Å; P362-Q364 VanDerWaalsContact C-N 3.35Å; Q364-L366 PolarHBondContact O-N 3.08Å; Q364-K367 PolarHBondContact O-N 3.45Å; Q364-K367 VanDerWaalsContact O-N 3.17Å
365I56.9Low52.2Low104 Ų104126.2 Ų126.253%0.53369%0.685SS.*Hα-helixtrans-65.4-30.6179.6-59.6172.2000110.9K367I365-K367 VanDerWaalsContact C-N 3.28Å; I365-K367 PolarHBondContact O-N 3.01Å
366L53.2Low52Low120 Ų120129 Ų12963%0.62869%0.691SS**Hα-helixtrans-72.5-14.8178.3-89.2150.1000114.5Q364Q364-L366 PolarHBondContact O-N 3.08Å
367K57.4Low52.3Low177 Ų177130.1 Ų130.177%0.7769%0.687SS**Hα-helixtrans-91.8-27.9178.5-77.2-166.8165.6-172.50113.6Q364 I365Q364-K367 PolarHBondContact O-N 3.45Å; Q364-K367 VanDerWaalsContact O-N 3.17Å; I365-K367 VanDerWaalsContact C-N 3.28Å; I365-K367 PolarHBondContact O-N 3.01Å
368E56.6Low52.4Low131 Ų131134 Ų13461%0.61270%0.698SS**Hα-helixtrans-78.5-22.3-173.8-73.8-179.9163.900113.3R360R360-E368 IonicContact NH1-OE1 3.83Å; R360-E368 PolarHBondContact NH1-OE1 3.09Å; R360-E368 IonicContact NH1-OE2 3.77Å; R360-E368 PolarHBondContact NH1-OE2 2.88Å
369T54.8Low52.4Low108 Ų108133.8 Ų133.866%0.66370%0.704SS**THydrogen-bonded Turntrans-98.46.3-174.664.20000115.1
370N50.2Low52.3Low130 Ų130138.1 Ų138.170%0.69570%0.7SS**  trans-124.423.9-174.6-94.9-36.9000114.5
371S50Low52.1Low91 Ų91139.1 Ų139.164%0.63672%0.717SS**  trans-99112.5170.5-1680000110.1R373S371-R373 VanDerWaalsContact C-N 3.31Å; S371-R373 PolarHBondContact O-N 2.82Å
372P51.6Low51.6Low128 Ų128139 Ų13983%0.83173%0.726SS**  trans-78.285.3175.732-29.8000108.1D374P372-D374 PolarHBondContact O-N 3.45Å
373R51.6Low51.2Low224 Ų224141.2 Ų141.285%0.84573%0.733SS**  trans-85.1105.9176.2-144176.8-159.6173.55.6109.4S371S371-R373 VanDerWaalsContact C-N 3.31Å; S371-R373 PolarHBondContact O-N 2.82Å
374D49.4Very low50.9Low150 Ų150146 Ų14680%0.80274%0.743SS**  trans33.386154.8-73.1-38000117.6P372 R376P372-D374 PolarHBondContact O-N 3.45Å; D374-R376 PolarHBondContact O-N 3.37Å
375Q48.7Very low50.5Low198 Ų198150.7 Ų150.793%0.92576%0.758SS**  trans-75.186.9150.5-73-166.924.500108.6S377Q375-S377 PolarHBondContact O-N 3.31Å
376R49.6Very low50.4Low234 Ų234150.1 Ų150.188%0.88377%0.769SS**  trans-63.6103.2168.3-162178.6-169-175.83.5108D374 Q378D374-R376 PolarHBondContact O-N 3.37Å; R376-Q378 PolarHBondContact O-N 2.98Å
377S50.7Low50.2Low98 Ų98151.2 Ų151.269%0.68578%0.775SS**  trans-58.6116.2171.343.60000109.5Q375 V379Q375-S377 PolarHBondContact O-N 3.31Å; S377-V379 VanDerWaalsContact C-N 3.33Å; S377-V379 PolarHBondContact O-N 3.02Å
378Q51Low50.1Low194 Ų194147.6 Ų147.691%0.90778%0.778SS**  trans-71.995.6162.8-74.9-166.9-3.500107.5R376 Q380R376-Q378 PolarHBondContact O-N 2.98Å; Q378-Q380 PolarHBondContact O-N 3.45Å; Q378-Q380 VanDerWaalsContact O-N 3.16Å
379V46.8Very low50Low118 Ų118148.4 Ų148.472%0.71579%0.785SS**  trans-75.799166-171.20000106.6S377 T381S377-V379 VanDerWaalsContact C-N 3.33Å; S377-V379 PolarHBondContact O-N 3.02Å; V379-T381 PolarHBondContact O-N 3.16Å; V379-T381 VanDerWaalsContact O-N 3.17Å
380Q49.8Very low50.2Low185 Ų185149.4 Ų149.486%0.86479%0.791SS**  trans-67.7107.3171.9-165.8164.26.600107.8Q378 G382Q378-Q380 PolarHBondContact O-N 3.45Å; Q378-Q380 VanDerWaalsContact O-N 3.16Å; Q380-G382 PolarHBondContact O-N 3.05Å; Q380-G382 VanDerWaalsContact O-N 3.09Å
381T47.1Very low50.3Low124 Ų124152.3 Ų152.376%0.76182%0.822SS**  trans-66.3105.5176.110.20000108.6V379 N383V379-T381 PolarHBondContact O-N 3.16Å; V379-T381 VanDerWaalsContact O-N 3.17Å; T381-N383 PolarHBondContact O-N 3.09Å
382G43.8Very low50.3Low62 Ų62155.4 Ų155.464%0.63983%0.831SS**  trans-68.7117.4168.700000109.7Q380 Y384Q380-G382 PolarHBondContact O-N 3.05Å; Q380-G382 VanDerWaalsContact O-N 3.09Å; G382-Y384 PolarHBondContact O-N 3.2Å
383N45.8Very low50.3Low146 Ų146156.8 Ų156.878%0.78183%0.831SS**  trans-63116.8172.8-75.6-38.9000110T381 Y385T381-N383 PolarHBondContact O-N 3.09Å; N383-Y385 PolarHBondContact O-N 3.5Å
384Y47.7Very low50.2Low233 Ų233153.1 Ų153.191%0.91483%0.83SS**  trans-69109.2164.6-82.7-95.4000109G382G382-Y384 PolarHBondContact O-N 3.2Å
385Y49.1Very low50.2Low210 Ų210153.3 Ų153.382%0.82483%0.832SS**  trans-94.2108.5158.5-94.8-86.8000108.5N383 N387N383-Y385 PolarHBondContact O-N 3.5Å; Y385-N387 PolarHBondContact O-N 3.5Å
386A54.4Low50.3Low92 Ų92150.5 Ų150.576%0.7683%0.826SS**  trans-68.9121.2165.900000109.2
387N48.8Very low50.4Low142 Ų142144.9 Ų144.976%0.75982%0.822SS**  trans-123.589.5159.4-92.5-30.1000107.3Y385 I389Y385-N387 PolarHBondContact O-N 3.5Å; N387-I389 PolarHBondContact O-N 3.38Å
388A54.6Low50.4Low102 Ų102148.3 Ų148.384%0.84383%0.832SS**  trans-8197.6159.200000106.7
389I55.8Low50.3Low148 Ų148144.8 Ų144.876%0.75983%0.826SS**  trans-97116167.1-65.7178.8000107.3N387N387-I389 PolarHBondContact O-N 3.38Å
390V57.2Low50.6Low128 Ų128147 Ų14778%0.77684%0.835SS**  trans-58.9129.3166.8173.60000109.9
391S53.4Low50.7Low192 Ų192143.5 Ų143.5100%1.34383%0.833SS**  trans-171.60135.1-76.50000110

Retrieved 391 of 391 residues in 1099.7 ms (Link to these results)