A0A2K5KVK8_CERAT Loading...

Proline rich 14

AlphaFold DB , UniProt , Accession A0A2K5KVK8, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PRR14, Length 585 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
1M31.9Very low43.2Very low217 Ų217129.7 Ų129.7100%1.06982%0.819SS**  0114.10-61-62.6-86.100106.9
2D36.7Very low42.7Very low134 Ų134135.7 Ų135.772%0.71783%0.829SS**  trans57114.9149.4-44.7-38.1000122.4
3L37.8Very low42Very low165 Ų165132.5 Ų132.586%0.86483%0.825SS**  trans35.6128135.7-61.1172.1000121.5
4P61.3Low41.7Very low130 Ų130140.3 Ų140.384%0.84483%0.831SS**  trans-116.1160148.538.1-28.4000112.4
5G33.4Very low41.7Very low78 Ų78142.7 Ų142.780%0.80484%0.838SS**  trans155.451.9162.100000120.6
6D43Very low41.3Very low153 Ų153141.2 Ų141.282%0.81884%0.835SS**  trans-65.6168.3146.2-99.3-40000109.9
7P51.1Low41.1Very low122 Ų122148 Ų14879%0.79284%0.843SS**  cis-146.4-162.531.740.9-17.7000116.6
8S37.1Very low40.9Very low108 Ų108150 Ų15076%0.75584%0.844SS**  trans-99.7-148.9-170.6-54.60000115.2
9P63.8Low41.1Very low115 Ų115148.6 Ų148.675%0.74784%0.842SS**  -128.6-174.9-121.938.7-16.2000116.1
10P47.1Very low40.9Very low136 Ų136149.3 Ų149.388%0.88384%0.842SS**  -145.9173.4128.635.9-19.7000113
11G31.9Very low40.8Very low69 Ų69148.2 Ų148.271%0.71184%0.839SS**  cis159130.9-5.800000111.6
12Q36.9Very low41Very low201 Ų201149.9 Ų149.994%0.93983%0.833SS**  trans62.5154.4169.1-71.2-178.3-2.100118.6
13A34.1Very low41Very low95 Ų95147.1 Ų147.179%0.78583%0.83SS**  cis-153.8164-15.700000110.4
14R38Very low41Very low241 Ų241147.5 Ų147.591%0.90983%0.831SS**  trans-82156.1173.5-62179.9173.4-158.9-1.3111.3
15L40.6Very low39.9Very low177 Ų177152.9 Ų152.993%0.92784%0.835SS**  -170.2149.6129.6-101.3173.9000111.8
16C36Very low40.1Very low118 Ų118152.8 Ų152.880%0.79783%0.834SS**  trans-93.8150.5-170.9-47.90000113.1
17R37.2Very low39.8Very low257 Ų257150 Ų15097%0.9783%0.832SS**  trans-159.1161.7136.7-86-135.8173.8178.9-1.4112.6
18Q38.5Very low38.9Very low184 Ų184155.9 Ų155.986%0.8684%0.839SS**  trans-81.8170.8-161.6-98.5-176.9-11.400115.9
19P43.5Very low38.9Very low124 Ų124156 Ų15681%0.80584%0.84SS**  trans-81.2148.8-166.733-36.7000114.2
20L38.7Very low37.9Very low161 Ų161156.4 Ų156.484%0.84384%0.842SS**  trans-116.7121.9177.3-88162.4000113.1
21T37.6Very low37.5Very low127 Ų127159.8 Ų159.878%0.77984%0.843SS**  trans8123.6151.243.70000119.9A23T21-A23 PolarHBondContact O-N 3.15Å
22R36.6Very low37.9Very low252 Ų252167.9 Ų167.995%0.95185%0.852SS**  trans-72.8106171.2-172-175.1-163.9-169.86.6112
23A37.2Very low38.2Very low77 Ų77163.6 Ų163.664%0.63684%0.842SS**  trans-81.9150.8174.800000113.3T21T21-A23 PolarHBondContact O-N 3.15Å
24L36.9Very low38.5Very low172 Ų172170.5 Ų170.590%0.90185%0.847SS**  trans-73.8136.4178.1-72.483.9000111.7
25W38.9Very low38.9Very low243 Ų243166.3 Ų166.392%0.9284%0.842SS**  trans-116.6101.8164.8-80.494.6000111.1
26G36.4Very low39.4Very low77 Ų77164.3 Ų164.379%0.79483%0.828SS**  trans-92.5110.1164.400000110.2
27A38.2Very low40Very low93 Ų93163.3 Ų163.377%0.76982%0.82SS**  trans-103102.8177.900000111.5
28R32.1Very low40.4Very low246 Ų246157.7 Ų157.793%0.92882%0.817SS**PPolyproline II helixtrans-78117.8163.8-73.7-180169.2-156.2-2.6109
29S37.6Very low41.2Very low112 Ų112152.8 Ų152.878%0.78382%0.815SS**PPolyproline II helixtrans-75.6128.5171.6-52.30000111.4
30P42.3Very low41.7Very low122 Ų122149.3 Ų149.379%0.79280%0.798SS**PPolyproline II helixtrans-78.5123.1177.730.1-32.7000111.4R32P30-R32 PolarHBondContact O-N 3Å
31K39Very low42.8Very low207 Ų207143.5 Ų143.590%0.977%0.769SS**  trans-71.2115.3168.8-71.3177.6178175.40109.2P33K31-P33 WeakPolarHBondContact O-CD 3.37Å
32R39.8Very low44.5Very low239 Ų239139.1 Ų139.190%0.90274%0.744SS**  trans-66.8123.3165.6-69.5-175.3179.2-172.1-0.4109.3P30 R34P30-R32 PolarHBondContact O-N 3Å; R32-R34 PolarHBondContact O-N 3.23Å
33P42.3Very low46Very low111 Ų111132.1 Ų132.172%0.72173%0.731SS**  trans-71.3120.1163.729.5-30.5000108.1K31 L35K31-P33 WeakPolarHBondContact O-CD 3.37Å; P33-L35 VanDerWaalsContact C-N 3.33Å; P33-L35 PolarHBondContact O-N 3.16Å
34R41.6Very low47.5Very low240 Ų240135.2 Ų135.291%0.90674%0.736SS**  trans-76.490.5173-167.9-179.3-166.4-178.15108R32 Q36R32-R34 PolarHBondContact O-N 3.23Å; R34-Q36 PolarHBondContact O-N 2.86Å
35L46.6Very low49.2Very low154 Ų154131 Ų13181%0.80671%0.712SS**PPolyproline II helixtrans-51.1122.8169.5-64.4171000108.3P33P33-L35 VanDerWaalsContact C-N 3.33Å; P33-L35 PolarHBondContact O-N 3.16Å
36Q49.9Very low50.7Low135 Ų135124.9 Ų124.963%0.63169%0.692SS**PPolyproline II helixtrans-80.8143.2167.7-65.6-152.623.200108.7R34R34-Q36 PolarHBondContact O-N 2.86Å
37P48.3Very low52.2Low97 Ų97123.6 Ų123.663%0.6367%0.674SS**PPolyproline II helixtrans-59.4138169.5-19.932.1000110.2G39P37-G39 PolarHBondContact O-N 3.08Å
38P46.1Very low53.7Low139 Ų139121.8 Ų121.890%0.90366%0.656SS**THydrogen-bonded Turntrans-61.7129.5173.826.7-33.1000109.6
39G55.5Low55.6Low80 Ų80117.6 Ų117.683%0.82564%0.64SS**THydrogen-bonded Turntrans107.8-6.1177.200000116.5P37 P41P37-G39 PolarHBondContact O-N 3.08Å; G39-P41 VanDerWaalsContact O-CD 3.3Å; G39-P41 WeakPolarHBondContact O-CD 3.45Å
40A53.2Low57Low52 Ų52121.6 Ų121.643%0.4364%0.638SS.*  trans-82.4113.7170.700000110.8S42A40-S42 PolarHBondContact O-N 3.43Å
41P62Low58.3Low38 Ų38120.2 Ų120.225%0.24763%0.627CS.*  trans-65.2137.817724.5-31.3000110.1G39 E45 K46G39-P41 VanDerWaalsContact O-CD 3.3Å; G39-P41 WeakPolarHBondContact O-CD 3.45Å; P41-E45 HydrophobicContact CB-CB 4Å; P41-K46 HydrophobicContact CB-CG 4.35Å; P41-K46 HydrophobicContact CG-CG 4.07Å; P41-K46 VanDerWaalsContact O-CE 3.3Å; P41-K46 WeakPolarHBondContact O-CE 3.47Å
42S73.9Confident59.7Low36 Ų36115.5 Ų115.525%0.25261%0.611SS.*  trans-58.6159.5-178.966.80000111.6A40 L44 E45 K46A40-S42 PolarHBondContact O-N 3.43Å; S42-L44 PolarHBondContact O-N 3Å; S42-L44 VanDerWaalsContact O-N 3.13Å; S42-E45 WeakPolarHBondContact CB-OE2 3.47Å; S42-E45 PolarHBondContact N-OE2 3.26Å; S42-E45 PolarHBondContact O-N 3.19Å; S42-E45 VanDerWaalsContact O-N 3.08Å; S42-E45 WeakPolarHBondContact OG-CG 3.5Å; S42-E45 PolarHBondContact OG-N 3.15Å; S42-E45 PolarHBondContact OG-OE2 2.96Å; S42-K46 PolarHBondContact O-N 3.42Å
43P68.8Low60.9Low105 Ų105106.5 Ų106.568%0.68259%0.588SS**Hα-helixtrans-55.4-31175.3-26.435.7000113.2A47P43-A47 PolarHBondContact O-N 3.2Å; P43-A47 VanDerWaalsContact O-N 3.09Å
44L69.1Low62.2Low142 Ų142104.9 Ų104.974%0.74358%0.576SS**Hα-helixtrans-70.3-44.8176.1-169.370.6000111.7S42 K46 A47 S48S42-L44 PolarHBondContact O-N 3Å; S42-L44 VanDerWaalsContact O-N 3.13Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.9Å; L44-A47 WeakPolarHBondContact O-CB 3.47Å; L44-A47 PolarHBondContact O-N 3.33Å; L44-A47 VanDerWaalsContact O-N 3.17Å; L44-S48 PolarHBondContact O-N 3.19Å; L44-S48 PolarHBondContact O-OG 3.46Å
45E71.3Confident63.7Low83 Ų8396.8 Ų96.839%0.38855%0.553SS.*Hα-helixtrans-67.4-31.7175.2-70.1162.7106.300112.6P41 S42 A47 S48 R49P41-E45 HydrophobicContact CB-CB 4Å; S42-E45 WeakPolarHBondContact CB-OE2 3.47Å; S42-E45 PolarHBondContact N-OE2 3.26Å; S42-E45 PolarHBondContact O-N 3.19Å; S42-E45 VanDerWaalsContact O-N 3.08Å; S42-E45 WeakPolarHBondContact OG-CG 3.5Å; S42-E45 PolarHBondContact OG-N 3.15Å; S42-E45 PolarHBondContact OG-OE2 2.96Å; E45-A47 VanDerWaalsContact C-N 3.33Å; E45-S48 WeakPolarHBondContact CA-OG 3.44Å; E45-S48 PolarHBondContact O-OG 3.28Å; E45-R49 VanDerWaalsContact O-CB 3.28Å; E45-R49 WeakPolarHBondContact O-CB 3.46Å; E45-R49 WeakPolarHBondContact O-CG 3.29Å; E45-R49 PolarHBondContact O-N 3.44Å
46K71.8Confident65Low114 Ų11494.6 Ų94.650%0.49654%0.541SS..Hα-helixtrans-68-33.8171.7-71.9-177.9178.6-179.40112P41 S42 L44 R50P41-K46 HydrophobicContact CB-CG 4.35Å; P41-K46 HydrophobicContact CG-CG 4.07Å; P41-K46 VanDerWaalsContact O-CE 3.3Å; P41-K46 WeakPolarHBondContact O-CE 3.47Å; S42-K46 PolarHBondContact O-N 3.42Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.9Å; K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.44Å; K46-R50 PolarHBondContact O-N 2.99Å
47A66.4Low65.8Low50 Ų5094.8 Ų94.841%0.41354%0.542SS..Hα-helixtrans-71.6-47.6173.400000111.5P43 L44 E45 R49 R50 V51P43-A47 PolarHBondContact O-N 3.2Å; P43-A47 VanDerWaalsContact O-N 3.09Å; L44-A47 WeakPolarHBondContact O-CB 3.47Å; L44-A47 PolarHBondContact O-N 3.33Å; L44-A47 VanDerWaalsContact O-N 3.17Å; E45-A47 VanDerWaalsContact C-N 3.33Å; A47-R49 PolarHBondContact O-N 3.31Å; A47-R50 PolarHBondContact O-N 3.16Å; A47-R50 VanDerWaalsContact O-N 3.15Å; A47-V51 PolarHBondContact O-N 3.4Å
48S69.8Low66.6Low56 Ų5694.8 Ų94.839%0.39254%0.537SS..Hα-helixtrans-63.9-40.7179.566.50000112.5L44 E45 R50 V51 L52L44-S48 PolarHBondContact O-N 3.19Å; L44-S48 PolarHBondContact O-OG 3.46Å; E45-S48 WeakPolarHBondContact CA-OG 3.44Å; E45-S48 PolarHBondContact O-OG 3.28Å; S48-R50 VanDerWaalsContact C-N 3.28Å; S48-R50 PolarHBondContact O-N 2.93Å; S48-V51 PolarHBondContact O-N 2.96Å; S48-L52 WeakPolarHBondContact O-CB 3.27Å; S48-L52 WeakPolarHBondContact O-CG 3.39Å; S48-L52 PolarHBondContact O-N 3.34Å
49R71.3Confident67.7Low158 Ų15892.7 Ų92.760%0.59652%0.517SS*.Hα-helixtrans-62.2-31.9174.2-72.3175.1-170.5-153.24.3113.1E45 A47 A53E45-R49 VanDerWaalsContact O-CB 3.28Å; E45-R49 WeakPolarHBondContact O-CB 3.46Å; E45-R49 WeakPolarHBondContact O-CG 3.29Å; E45-R49 PolarHBondContact O-N 3.44Å; A47-R49 PolarHBondContact O-N 3.31Å; R49-A53 VanDerWaalsContact O-CB 3.3Å; R49-A53 WeakPolarHBondContact O-CB 3.28Å; R49-A53 PolarHBondContact O-N 2.91Å
50R67.1Low68Low195 Ų19594 Ų9474%0.73650%0.503SS*.Hα-helixtrans-72.2-43.1174.2-75.9174.1176.7-147.2-4.3112.1K46 A47 S48 A53 V54K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.44Å; K46-R50 PolarHBondContact O-N 2.99Å; A47-R50 PolarHBondContact O-N 3.16Å; A47-R50 VanDerWaalsContact O-N 3.15Å; S48-R50 VanDerWaalsContact C-N 3.28Å; S48-R50 PolarHBondContact O-N 2.93Å; R50-A53 PolarHBondContact O-N 3.21Å; R50-V54 WeakPolarHBondContact O-CG2 3.33Å; R50-V54 PolarHBondContact O-N 2.95Å
51V69.9Low68.2Low94 Ų9494.8 Ų94.857%0.5751%0.51SS*.Hα-helixtrans-62.9-44.8176174.70000110.7A47 S48 A53 V54 V55A47-V51 PolarHBondContact O-N 3.4Å; S48-V51 PolarHBondContact O-N 2.96Å; V51-A53 VanDerWaalsContact C-N 3.34Å; V51-A53 PolarHBondContact O-N 3.05Å; V51-V54 PolarHBondContact O-N 3.47Å; V51-V55 VanDerWaalsContact O-CG2 3.32Å; V51-V55 WeakPolarHBondContact O-CG2 3.28Å; V51-V55 PolarHBondContact O-N 2.85Å
52L68.3Low68.1Low107 Ų10798.9 Ų98.956%0.5653%0.534SS*.Hα-helixtrans-63.9-37.3176.4-70.4170.7000112.6S48 L56S48-L52 WeakPolarHBondContact O-CB 3.27Å; S48-L52 WeakPolarHBondContact O-CG 3.39Å; S48-L52 PolarHBondContact O-N 3.34Å; L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 PolarHBondContact O-N 2.99Å
53A65.1Low67.2Low51 Ų51104.1 Ų104.142%0.42155%0.554SS.*Hα-helixtrans-63.6-48.5175.700000111.9R49 R50 V51 V55 L56 E57R49-A53 VanDerWaalsContact O-CB 3.3Å; R49-A53 WeakPolarHBondContact O-CB 3.28Å; R49-A53 PolarHBondContact O-N 2.91Å; R50-A53 PolarHBondContact O-N 3.21Å; V51-A53 VanDerWaalsContact C-N 3.34Å; V51-A53 PolarHBondContact O-N 3.05Å; A53-V55 PolarHBondContact O-N 3.13Å; A53-L56 PolarHBondContact O-N 3.26Å; A53-E57 WeakPolarHBondContact O-CB 3.34Å; A53-E57 PolarHBondContact O-N 3Å
54V69.7Low66.5Low77 Ų77105.9 Ų105.947%0.46756%0.555SS.*Hα-helixtrans-61.1-43.9177.41740000111.1R50 V51 L56 E57 D58R50-V54 WeakPolarHBondContact O-CG2 3.33Å; R50-V54 PolarHBondContact O-N 2.95Å; V51-V54 PolarHBondContact O-N 3.47Å; V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 2.78Å; V54-E57 PolarHBondContact O-N 2.95Å; V54-D58 PolarHBondContact O-N 3.41Å
55V73.6Confident65.4Low70 Ų70101.4 Ų101.442%0.42454%0.543SS..Hα-helixtrans-63.4-38.3177.4170.60000112.1V51 A53 I59V51-V55 VanDerWaalsContact O-CG2 3.32Å; V51-V55 WeakPolarHBondContact O-CG2 3.28Å; V51-V55 PolarHBondContact O-N 2.85Å; A53-V55 PolarHBondContact O-N 3.13Å; V55-I59 HydrophobicContact CG1-CD1 3.74Å; V55-I59 WeakPolarHBondContact O-CB 3.48Å; V55-I59 WeakPolarHBondContact O-CD1 3.26Å; V55-I59 WeakPolarHBondContact O-CG1 3.28Å; V55-I59 PolarHBondContact O-N 3.23Å
56L73.3Confident64.1Low107 Ų107103.7 Ų103.756%0.5657%0.565SS**Hα-helixtrans-68.4-38.9174.3-88.6156000112.3L52 A53 V54 I59 M60L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 PolarHBondContact O-N 2.99Å; A53-L56 PolarHBondContact O-N 3.26Å; V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 2.78Å; L56-I59 PolarHBondContact O-N 3.49Å; L56-M60 WeakPolarHBondContact O-CB 3.48Å; L56-M60 WeakPolarHBondContact O-CG 3.03Å; L56-M60 PolarHBondContact O-N 2.63Å
57E66.9Low62.6Low140 Ų140104.9 Ų104.965%0.65458%0.581SS**Hα-helixtrans-66.3-42.5178-162.8161.8-15300111.1A53 V54 M60 A61A53-E57 WeakPolarHBondContact O-CB 3.34Å; A53-E57 PolarHBondContact O-N 3Å; V54-E57 PolarHBondContact O-N 2.95Å; E57-M60 PolarHBondContact O-N 2.89Å; E57-A61 VanDerWaalsContact O-CB 3.32Å; E57-A61 WeakPolarHBondContact O-CB 3.47Å; E57-A61 PolarHBondContact O-N 3.3Å
58D65.9Low61.2Low97 Ų97108.2 Ų108.252%0.51960%0.597SS.*Hα-helixtrans-63.9-44.6172.5-72-25.7000112.1V54 M60 A61 V62V54-D58 PolarHBondContact O-N 3.41Å; D58-M60 VanDerWaalsContact C-N 3.3Å; D58-M60 PolarHBondContact O-N 3.42Å; D58-A61 PolarHBondContact O-N 3.03Å; D58-V62 WeakPolarHBondContact O-CB 3.27Å; D58-V62 VanDerWaalsContact O-CG2 3.29Å; D58-V62 WeakPolarHBondContact O-CG2 3.29Å; D58-V62 PolarHBondContact O-N 3.34Å
59I68.8Low59.7Low94 Ų94111.3 Ų111.348%0.48262%0.615SS.*Hα-helixtrans-63.4-36.6177.7-71.8166.2000111.5V55 L56 H63V55-I59 HydrophobicContact CG1-CD1 3.74Å; V55-I59 WeakPolarHBondContact O-CB 3.48Å; V55-I59 WeakPolarHBondContact O-CD1 3.26Å; V55-I59 WeakPolarHBondContact O-CG1 3.28Å; V55-I59 PolarHBondContact O-N 3.23Å; L56-I59 PolarHBondContact O-N 3.49Å; I59-H63 PolarHBondContact O-N 3.4Å; I59-H63 PolarHBondContact O-ND1 3.12Å
60M62.3Low57.7Low108 Ų108109.4 Ų109.453%0.53263%0.626SS.*Hα-helixtrans-73.8-37.5175-75-136.66500112.7L56 E57 D58 V62 H63 M64L56-M60 WeakPolarHBondContact O-CB 3.48Å; L56-M60 WeakPolarHBondContact O-CG 3.03Å; L56-M60 PolarHBondContact O-N 2.63Å; E57-M60 PolarHBondContact O-N 2.89Å; D58-M60 VanDerWaalsContact C-N 3.3Å; D58-M60 PolarHBondContact O-N 3.42Å; M60-V62 VanDerWaalsContact C-N 3.34Å; M60-H63 PolarHBondContact O-N 3.15Å; M60-M64 HydrophobicContact CE-CE 4.19Å; M60-M64 WeakPolarHBondContact O-CG 3.4Å; M60-M64 PolarHBondContact O-N 3.06Å
61A57.9Low56.1Low69 Ų69109.4 Ų109.457%0.5763%0.631SS**Hα-helixtrans-64-38.4174.200000112E57 D58 H63 M64E57-A61 VanDerWaalsContact O-CB 3.32Å; E57-A61 WeakPolarHBondContact O-CB 3.47Å; E57-A61 PolarHBondContact O-N 3.3Å; D58-A61 PolarHBondContact O-N 3.03Å; A61-H63 VanDerWaalsContact C-N 3.32Å; A61-H63 PolarHBondContact O-N 3.44Å; A61-M64 PolarHBondContact O-N 3.41Å
62V58.8Low54.5Low124 Ų124113.7 Ų113.775%0.75265%0.645SS**Hα-helixtrans-67.6-29.4176169.60000112.7D58 M60D58-V62 WeakPolarHBondContact O-CB 3.27Å; D58-V62 VanDerWaalsContact O-CG2 3.29Å; D58-V62 WeakPolarHBondContact O-CG2 3.29Å; D58-V62 PolarHBondContact O-N 3.34Å; M60-V62 VanDerWaalsContact C-N 3.34Å
63H54.6Low52.7Low146 Ų146115 Ų11568%0.67666%0.658SS**Hα-helixtrans-87.6-8.8177.7-86.890.1000115I59 M60 A61I59-H63 PolarHBondContact O-N 3.4Å; I59-H63 PolarHBondContact O-ND1 3.12Å; M60-H63 PolarHBondContact O-N 3.15Å; A61-H63 VanDerWaalsContact C-N 3.32Å; A61-H63 PolarHBondContact O-N 3.44Å
64M55.7Low51.1Low141 Ų141117.2 Ų117.270%0.69567%0.67SS**  trans-110.658.9-177.1-66.7-66.2167.400112M60 A61M60-M64 HydrophobicContact CE-CE 4.19Å; M60-M64 WeakPolarHBondContact O-CG 3.4Å; M60-M64 PolarHBondContact O-N 3.06Å; A61-M64 PolarHBondContact O-N 3.41Å
65G45.7Very low49.1Very low49 Ų49121 Ų12151%0.50569%0.686SS.*  trans-71.2161.1162.700000112.1V67G65-V67 PolarHBondContact O-N 2.98Å; G65-V67 VanDerWaalsContact O-N 3.13Å
66P42.3Very low47.5Very low131 Ų131122.8 Ų122.885%0.85170%0.7SS**  trans-69.8112-168.6-16.630.4000113V68P66-V68 PolarHBondContact O-N 3.21Å
67V41Very low45.4Very low138 Ų138125.3 Ų125.384%0.83671%0.708SS**  trans-76.1106.2164.8178.40000108.4G65G65-V67 PolarHBondContact O-N 2.98Å; G65-V67 VanDerWaalsContact O-N 3.13Å
68V37.8Very low43.5Very low121 Ų121125.5 Ų125.573%0.73371%0.709SS**  trans-72.9128.31691770000108.6P66 S70P66-V68 PolarHBondContact O-N 3.21Å; V68-S70 PolarHBondContact O-N 3.47Å; V68-S70 VanDerWaalsContact O-N 3.08Å
69P37.4Very low41.7Very low120 Ų120128.5 Ų128.578%0.77972%0.719SS**  trans-75.899.4177.630-32.9000110.2
70S30.1Very low39.8Very low118 Ų118129.2 Ų129.283%0.82573%0.733SS**PPolyproline II helixtrans-73.9130.6168.2-170.70000110.2V68V68-S70 PolarHBondContact O-N 3.47Å; V68-S70 VanDerWaalsContact O-N 3.08Å
71K33.1Very low38.3Very low195 Ų195133.9 Ų133.985%0.84875%0.745SS**PPolyproline II helixtrans-73.3147.4-176-164.1173.8-179.1-178.60111.5
72E35.7Very low37.1Very low185 Ų185138 Ų13886%0.86475%0.752SS**PPolyproline II helixtrans-63.5144.2-176.8-64.9161.411300113.8
73T31.1Very low35.7Very low134 Ų134139.5 Ų139.582%0.82276%0.756SS**  trans-151.7106.3154.9-46.30000110.6
74S31.1Very low35.5Very low98 Ų98137.8 Ų137.869%0.68576%0.758SS**  trans18.6116.7159.857.50000123.1
75I28.7Very low34.3Very low155 Ų155136.7 Ų136.780%0.79576%0.758SS**  26.5141.5109.7-57.9176000117.4
76P39.4Very low33.5Very low109 Ų109142.2 Ų142.271%0.70877%0.771SS**  cis-12415021.59.817.2000116.1
77Q28.5Very low33Very low159 Ų159143.5 Ų143.574%0.74377%0.767SS**  69.8102.677.6-158.9-170.113.400115
78H28.3Very low32.5Very low145 Ų145145.3 Ų145.367%0.67177%0.767SS**  179.4118.9128.6-109.1-114.1000115.2
79H27.2Very low33.3Very low159 Ų159144.7 Ų144.774%0.73677%0.765SS**  trans48.7153.3141.1-58.9-18.9000126.8
80S29.3Very low33.8Very low109 Ų109144.2 Ų144.276%0.76276%0.762SS**  trans79.9105.6159.9-150.10000116.8
81R31.1Very low33.8Very low206 Ų206143.5 Ų143.578%0.77776%0.763SS**  cis83.4125.748.8-158.4-150.5-166-1467.7112.6
82Q33Very low33.7Very low157 Ų157139.5 Ų139.573%0.73476%0.76SS**  trans92.198.2163.9-49.1-160.8-77.400119.7
83D29Very low34.5Very low155 Ų155136 Ų13683%0.82975%0.753SS**  -60.9173.5128.9-86.2-36.1000111.3
84P49.3Very low35.4Very low110 Ų110134.7 Ų134.771%0.71475%0.747SS**  cis-138.9-163.7-4.920.86.9000114.7
85V31.6Very low35.4Very low117 Ų117139.7 Ų139.771%0.70975%0.751SS**  trans108101.9143-171.80000119.8
86H29.4Very low35.5Very low165 Ų165139.5 Ų139.576%0.76475%0.747SS**  trans94.5151.5131.5-98.6-9.2000126.7
87M30.3Very low35Very low158 Ų158138.9 Ų138.978%0.77875%0.751SS**  trans85127160-67.7-59.1129.200121.6
88Q31.3Very low34.9Very low177 Ų177134.6 Ų134.683%0.82775%0.749SS**  trans-105.6178.4167-113.5-171-25.100107.9
89P53.4Low34.9Very low107 Ų107139.7 Ų139.770%0.69576%0.763SS**  cis-119.1-126.1-25.728.8-4.6000106.6
90P49.4Very low35Very low111 Ų111137 Ų13772%0.72176%0.762SS**  cis-131.6-175.9-30.140.7-23.5000115.5
91A29.2Very low35.1Very low102 Ų102137.3 Ų137.384%0.84376%0.764SS**  trans75.7140.1152.100000121.2
92S30.9Very low35.1Very low111 Ų111136.7 Ų136.778%0.77677%0.767SS**  trans-132.7-177.7174.265.70000107.4
93P52.7Low34.9Very low112 Ų112133.9 Ų133.973%0.72777%0.771SS**  cis-134-133.1-5.938.2-15.2000110.2
94P50.7Low34.9Very low106 Ų106137.9 Ų137.969%0.68877%0.774SS**  -122.8162.5-59.331-14.3000115
95R31.2Very low35.3Very low203 Ų203137.7 Ų137.777%0.76677%0.773SS**  trans144.6132.1130-88.1-173157.8-141.79.2115.6
96Q30Very low36Very low152 Ų152137.9 Ų137.971%0.7178%0.777SS**  trans58.5146.5136.5-64.8174.8-39.700120.5
97A28.8Very low36.4Very low96 Ų96137 Ų13779%0.79378%0.778SS**  cis-170162.6-1400000111.1
98G26.5Very low37.3Very low69 Ų69134.2 Ų134.271%0.71177%0.771SS**  trans89.1146.9166.800000115.6
99W28.3Very low37.5Very low251 Ų251132.9 Ų132.995%0.95177%0.769SS**  cis-136.8142.60.9-78-12.6000108.4
100S29.8Very low36.7Very low103 Ų103132.8 Ų132.872%0.7277%0.77SS**  79.412770.9114.20000116
101S31.4Very low36Very low116 Ų116135.4 Ų135.481%0.81178%0.777SS**  trans123.3140.6171.2-67.50000113.1
102K30.5Very low36.1Very low192 Ų192136.3 Ų136.384%0.83578%0.775SS**  cis-167.6138.5-9.2169174.7179.2-178.30111.1
103A29.3Very low36.3Very low99 Ų99142.1 Ų142.182%0.81878%0.78SS**  trans62.3173.8155.700000121.1
104R28.7Very low35.4Very low238 Ų238145 Ų14590%0.89878%0.784SS**  trans-135.7-164-154.1-147.2-161.1-150.7168.46111
105P58.8Low35.2Very low106 Ų106145.6 Ų145.669%0.68879%0.788SS**  trans-92.4-165.7-13739.7-18.8000113.6
106P46Very low35.4Very low122 Ų122144.2 Ų144.279%0.79280%0.795SS**  -145.5-171.896.441.8-26.5000114.4
107D36.8Very low35.8Very low147 Ų147142.1 Ų142.179%0.78680%0.797SS**  trans-124-156.9171.9-142.951.8000106.2
108P49.5Very low35.8Very low98 Ų98149.2 Ų149.264%0.63680%0.804SS**  cis-139.1-164.3-4.330.2-3.3000115.4
109L36.6Very low36.1Very low149 Ų149151.2 Ų151.278%0.7880%0.801SS**  trans79.4115.1155-55.8-172.5000123
110C36.4Very low36.1Very low105 Ų105146.8 Ų146.871%0.70979%0.791SS**  49.2117.1127.6-58.50000122.9
111L33.5Very low36Very low166 Ų166153.2 Ų153.287%0.86980%0.8SS**  trans-151.6119.5134.3-82.3-169.4000113.4
112C30.8Very low35.9Very low121 Ų121153.4 Ų153.482%0.81880%0.796SS**  trans55.8140.4141.1-56.60000124.1
113R35.2Very low35.8Very low233 Ų233149.8 Ų149.888%0.87980%0.795SS**  trans-69.7150.9159.2-69.5-177.3166.9-156.12.1111.4
114E35.7Very low35.8Very low173 Ų173150.1 Ų150.181%0.80879%0.791SS**  177.2157.999.5-95-158.5132.400113.7L116E114-L116 PolarHBondContact O-N 2.82Å
115P45.2Very low36Very low118 Ų118145.9 Ų145.977%0.76679%0.792SS**  trans-89.6104.1-176.134.3-31.6000112.4S117P115-S117 PolarHBondContact O-N 3.03Å; P115-S117 VanDerWaalsContact O-N 3.09Å
116L34.8Very low34.6Very low174 Ų174148.5 Ų148.591%0.91180%0.799SS**  trans-73.4104.2171.5-76.6173.7000111.8E114 R118E114-L116 PolarHBondContact O-N 2.82Å; L116-R118 PolarHBondContact O-N 2.83Å
117S38.7Very low33.8Very low109 Ų109153.8 Ų153.876%0.76280%0.804SS**  trans-54.7122.816355.60000111P115P115-S117 PolarHBondContact O-N 3.03Å; P115-S117 VanDerWaalsContact O-N 3.09Å
118R30Very low33.3Very low245 Ų245156 Ų15693%0.92580%0.801SS**  trans-116.4101.3166.1-161.9171.2-173.4172.64112.3L116L116-R118 PolarHBondContact O-N 2.83Å
119V31.2Very low32.3Very low110 Ų110161.1 Ų161.167%0.66781%0.807SS**  trans-68.7130175.3163.50000111.1
120H30Very low32Very low159 Ų159159.2 Ų159.274%0.73681%0.807SS**  trans66.5125.8154.7-69.8-152.4000121.3
121R27Very low31.8Very low238 Ų238164.3 Ų164.390%0.89881%0.811SS**  -146.990.4123.6-157.9174.1-170.8177.52.7111.6S123R121-S123 PolarHBondContact O-N 2.63Å
122T28.3Very low31.5Very low119 Ų119161.7 Ų161.773%0.7380%0.802SS**  trans-74.4116168.746.70000110.2S124T122-S124 PolarHBondContact O-N 3.34Å
123S29Very low31.5Very low116 Ų116161.8 Ų161.881%0.81180%0.799SS**  trans-80.6113.8171.7-67.70000110.6R121R121-S123 PolarHBondContact O-N 2.63Å
124S30Very low31.6Very low107 Ų107156.5 Ų156.575%0.74880%0.795SS**  trans-69.1144.3175.6600000112.2T122T122-S124 PolarHBondContact O-N 3.34Å
125T31.8Very low31.2Very low149 Ų149151.4 Ų151.491%0.91479%0.789SS**  trans-123.5139146.452.50000110.8
126L29.6Very low31.2Very low160 Ų160151.3 Ų151.384%0.83879%0.788SS**  trans-102.1134.5-162.5-166.6102.6000110.1
127R28.7Very low31Very low234 Ų234151.3 Ų151.388%0.88378%0.783SS**  trans-155104.8149.2-121176.8-172.9-136.51.1115.6
128R27Very low30.6Very low192 Ų192154.4 Ų154.473%0.72579%0.786SS**  trans47.9111.4143.5-76.8-179.9159.3-124.51.2118.8
129R29.3Very low30.7Very low206 Ų206146.1 Ų146.178%0.77778%0.777SS**  73.3131.692.5-72.9-176.8-174.3-156.81.8112.2
130S29.1Very low31.5Very low109 Ų109146.7 Ų146.776%0.76278%0.783SS**  cis-142.3142.143360000112.4
131R32Very low31.6Very low212 Ų212144.2 Ų144.280%0.878%0.783SS**  68.1126.167.5170.7-176-78.1-111-0.8112.5
132T27.4Very low32.1Very low111 Ų111142 Ų14268%0.68178%0.783SS**  cis-170.4159.8-5.6-93.10000110.6
133T30.6Very low32.3Very low123 Ų123145.3 Ų145.376%0.75579%0.788SS**  trans-26.4166.9165.354.70000118.9
134P38.1Very low32.6Very low123 Ų123146.8 Ų146.880%0.79979%0.791SS**  cis-147.7179.137.441.5-18.9000120.2
135G28.1Very low32.7Very low66 Ų66147.7 Ų147.768%0.6879%0.788SS**  trans-76.8-168166.900000113.1
136P43.9Very low32.8Very low115 Ų115148.8 Ų148.875%0.74778%0.782SS**  -144.8162.17737.7-19.6000116.5
137E31.2Very low32.9Very low174 Ų174145.7 Ų145.781%0.81378%0.78SS**  46.5155.9126.2-53.8178.8179.100120.7
138E31.1Very low33.4Very low174 Ų174140.6 Ų140.681%0.81378%0.777SS**  cis-160.6132.313.4-145.4174.1172.500111.8
139G32.2Very low33.8Very low71 Ų71140.5 Ų140.573%0.73279%0.785SS**  trans57.8176144.400000123.6
140P46.9Very low34.5Very low123 Ų123135.2 Ų135.280%0.79978%0.777SS**  cis-138.5171.8-31.341.6-26.8000115.2
141S33.1Very low34.7Very low107 Ų107136.4 Ų136.475%0.74878%0.78SS**  trans67.8104.8145.4-153.80000121.1
142Q37Very low34.8Very low190 Ų190133.7 Ų133.789%0.88878%0.78SS**  -163.3144.986.8-107.3-176.9-6.600112.4
143K31.6Very low35.2Very low190 Ų190134 Ų13483%0.82678%0.782SS**  trans-80.9149.5172.2-72.9176.7169.1-176.30110.8
144V35.8Very low35.4Very low146 Ų146133.7 Ų133.789%0.88578%0.78SS**  -162.6160.4116141.70000108.7
145D31.8Very low35.3Very low126 Ų126135.1 Ų135.167%0.67478%0.778SS**  trans-85.7160.4-146.9-86.8-71.1000119.3
146Q33.5Very low35.5Very low173 Ų173139.6 Ų139.681%0.80879%0.785SS**  trans71.673.7145.7-73.5168.58.200121.4
147A32.4Very low35.2Very low95 Ų95142.3 Ų142.379%0.78579%0.788SS**  28.5117.8117.500000121.5
148P39.5Very low35.2Very low127 Ų127141.5 Ų141.583%0.82579%0.789SS**PPolyproline II helixtrans-88.8139.3139.7-2.222.1000110.8
149Q35.8Very low35.2Very low190 Ų190140.1 Ų140.189%0.88879%0.786SS**PPolyproline II helixtrans-72.5142175.3-84.5-82.9-19.700111.8
150P42.6Very low35Very low95 Ų95141.3 Ų141.362%0.61779%0.788SS**PPolyproline II helixtrans-97.2147.5-161.136.4-34.9000115.1
151T34.4Very low34.2Very low134 Ų134140.8 Ų140.882%0.82279%0.788SS**PPolyproline II helixtrans-84.1117.7160.9-62.50000109.4V153T151-V153 PolarHBondContact O-N 3.32Å
152L34.9Very low34.2Very low154 Ų154141.9 Ų141.981%0.80679%0.793SS**  trans-79.599.9179.4-79167.6000111.8
153V33.9Very low33.9Very low119 Ų119144.1 Ų144.172%0.72179%0.793SS**  trans-100.8111.6158.6178.40000107.7T151 M155T151-V153 PolarHBondContact O-N 3.32Å; V153-M155 HydrophobicContact CG1-CG 4.38Å; V153-M155 PolarHBondContact O-N 2.98Å
154V34.9Very low34.5Very low115 Ų115140.3 Ų140.370%0.69779%0.787SS**  trans-90.398.9176-177.90000109.1
155M35.9Very low34.8Very low154 Ų154138.9 Ų138.976%0.75978%0.781SS**  trans-102.1140.8155.1-69-95.856.600107.5V153V153-M155 HydrophobicContact CG1-CG 4.38Å; V153-M155 PolarHBondContact O-N 2.98Å
156L34Very low34.6Very low159 Ų159136.9 Ų136.983%0.83278%0.782SS**  trans-140.3116.9172.3-116.4153.6000108.3
157E35.6Very low34.5Very low172 Ų172137.4 Ų137.480%0.80479%0.785SS**  trans-87.9163.4-172.4-69.9166.1123.300111.9
158D32Very low34.3Very low157 Ų157136.3 Ų136.384%0.8478%0.782SS**  trans-69.3137.6168.1-169.811.1000109.9
159I30.5Very low33.8Very low146 Ų146139.5 Ų139.575%0.74978%0.784SS**  trans-133.8109.6173-53.3-179.1000109.3
160A28.5Very low33.7Very low95 Ų95137 Ų13779%0.78578%0.775SS**PPolyproline II helixtrans-76.2133.5166.800000111
161S30.5Very low33.1Very low113 Ų113139 Ų13979%0.7978%0.781SS**PPolyproline II helixtrans-90.8153.2173-66.40000112.4
162P32.8Very low33Very low130 Ų130141 Ų14184%0.84478%0.78SS**PPolyproline II helixtrans-84.1164.8-175.132.6-35.6000116.6
163R31.9Very low32.8Very low236 Ų236140 Ų14089%0.89178%0.781SS**  trans-60.3-176.9176.9-110-175.9169.8163.7-6.3115
164P43.9Very low33.8Very low110 Ų110138.9 Ų138.971%0.71478%0.776SS**  cis-142.8-148.922.345.7-24.5000113.8
165P40.9Very low33.7Very low116 Ų116139.5 Ų139.575%0.75378%0.775SS**  cis-122.2166.1-36.332-15.2000114.1
166A27.9Very low33.5Very low84 Ų84140.8 Ų140.869%0.69478%0.777SS**  trans-171.4140.1151.900000112.2
167E31.7Very low33.5Very low185 Ų185140.6 Ų140.686%0.86478%0.775SS**  trans37.3125.6152.8-87.458-153.300122.8
168G28.3Very low33.7Very low71 Ų71140.1 Ų140.173%0.73278%0.777SS**  117.792.4120.900000121.6
169F29.8Very low34.2Very low195 Ų195137.7 Ų137.786%0.85577%0.77SS**  65.3119.3130-97.5-121.5000123.9
170I32.9Very low34.2Very low138 Ų138134.6 Ų134.671%0.70877%0.766SS**  trans52.1152.114829.1173.9000121.8
171D30.5Very low34.3Very low137 Ų137137.9 Ų137.973%0.73377%0.765SS**  cis-154.8-178.1-4.4-144.5-24.4000112
172E31.7Very low34.4Very low175 Ų175143.7 Ų143.782%0.81877%0.769SS**  trans75.5100.1152.5-73.5-177.2173.100121.5
173T30.7Very low34.3Very low133 Ų133141.9 Ų141.982%0.81677%0.766SS**  trans-82.7-172.3147.141.50000110.7
174P54.1Low34.6Very low95 Ų95139 Ų13962%0.61776%0.762SS**  cis-132-177.6-2921.71.9000113.1
175N34.5Very low34.6Very low128 Ų128139 Ų13968%0.68476%0.762SS**  161.7132.2111.8-81.2-48.6000116.7
176F31.1Very low34.2Very low181 Ų181141 Ų14179%0.79476%0.763SS**  trans6.8145.7151.6-58.6-86.9000122.9
177I34Very low34.3Very low156 Ų156144.5 Ų144.580%0.876%0.763SS**  -167.7134.699.5-88.6149.4000111
178I39.1Very low34.3Very low161 Ų161142.7 Ų142.783%0.82676%0.758SS**  trans-132.4137.2157.6-55.9173.8000106.4
179P43.1Very low34.5Very low107 Ų107144.2 Ų144.270%0.69575%0.752SS**  -130.8130.2127.97.414.8000110.2
180A30.3Very low34.5Very low81 Ų81143.5 Ų143.567%0.66975%0.752SS**  73.5144.782.700000112.6
181Q30.7Very low34.7Very low163 Ų163144.5 Ų144.576%0.76275%0.753SS**  cis173.8166.8-10.6-109.3-170.413.800104.4
182R32.1Very low35.2Very low235 Ų235143.2 Ų143.289%0.88775%0.752SS**  trans71.7146.2163.1-75175.5177.3178.8-1.5117.3
183A31.1Very low35Very low93 Ų93140.2 Ų140.277%0.76975%0.746SS**  cis-144.5154.70.800000113
184E38.2Very low36.2Very low176 Ų176139 Ų13982%0.82274%0.741SS**  trans-71.4-170157.4-57.8-165.4136.900110.5
185P43.8Very low36.4Very low109 Ų109139.8 Ų139.871%0.70875%0.745SS**  cis-146.1151.78.935.9-11.7000120.8
186M31.7Very low37.1Very low157 Ų157139.6 Ų139.677%0.77375%0.751SS**  51.6147.7117.7-141.1-167.4-166.800123.6
187K31.3Very low37Very low158 Ų158134.5 Ų134.569%0.68775%0.75SS**  trans95.6121.3154.7-61.4-155.2-178.7-178.30118.2
188I32Very low36.7Very low147 Ų147133.3 Ų133.375%0.75475%0.745SS**  76.8130.570.6-81.3167.8000110.1
189V31Very low36.5Very low103 Ų103136.3 Ų136.362%0.62475%0.746SS**  cis-161.2168.313.993.10000111.5
190H30.6Very low35.9Very low181 Ų181140 Ų14084%0.83875%0.754SS**  166.2116.6126.9-84.3-65.9000114
191Q36.3Very low37.2Very low158 Ų158141.3 Ų141.374%0.73876%0.756SS**  trans-108.2176.2147.3-123.5-161.545.300106.4T193Q191-T193 PolarHBondContact OE1-OG1 2.89Å
192P42.7Very low37.8Very low111 Ų111138.3 Ų138.372%0.72175%0.75SS**  cis-148.5160.733.239.8-17.6000119.7
193T27.5Very low37.6Very low111 Ų111136.5 Ų136.568%0.68175%0.749SS**  36.3-176.4123.8-14.70000123.8Q191Q191-T193 PolarHBondContact OE1-OG1 2.89Å
194P54.3Low37.7Very low109 Ų109140.7 Ų140.771%0.70875%0.753SS**  -122.9-127-114.645.8-24.9000113.8
195P59.5Low37.7Very low110 Ų110137.5 Ų137.571%0.71475%0.747SS**  -113.6-126.7-52.939.6-21.6000109.9
196P47.7Very low36.8Very low125 Ų125138.1 Ų138.181%0.81275%0.754SS**  cis-126.4-177.1-4639.6-23.6000115.3
197G29.3Very low36.6Very low74 Ų74134.7 Ų134.776%0.76375%0.751SS**  trans139.3134.6155.900000115.5
198D29.2Very low36.9Very low131 Ų131134.9 Ų134.970%0.70176%0.759SS**  cis-161.8144.8-3.3-15210.6000112.7
199R33.7Very low36.8Very low223 Ų223133.9 Ų133.984%0.84276%0.762SS**  trans71167.2151-77.1158.5-152.5-125.7-4.7125.6
200E30.8Very low36.7Very low186 Ų186132.6 Ų132.687%0.86976%0.762SS**  trans-98.8169.8-146.6-96.5-177.4116.900117.7
201P58Low36.6Very low108 Ų108131.5 Ų131.570%0.70176%0.763SS**  trans-89.5-177.2178.940.8-37.8000112.9
202P43.1Very low37.7Very low99 Ų99129.3 Ų129.364%0.64376%0.762SS**  -154.2176.9100.628.8-4.8000118
203F27Very low37.5Very low197 Ų197130 Ų13086%0.86477%0.767SS**  trans90.4124.1158.4-54.8-60.1000122.3
204Q33Very low37.7Very low181 Ų181133.2 Ų133.285%0.84677%0.774SS**  trans-93.5-168.7152.9-51.5-174.1-47.600108.6
205P39Very low36.6Very low109 Ų109133.6 Ų133.671%0.70878%0.779SS**  cis-141-164.5-1.734.9-10.4000115.4
206S25.8Very low35.7Very low122 Ų122133.6 Ų133.685%0.85378%0.779SS**  trans101.1147.2141.4-68.20000122.2
207A26.4Very low36.2Very low86 Ų86133.2 Ų133.271%0.71178%0.777SS**  trans-86.2157.8-165.700000116
208L37.8Very low36.9Very low162 Ų162135.7 Ų135.785%0.84878%0.779SS**  trans62.5156.4157.1-61.4172.7000117.4
209P30.4Very low37.2Very low126 Ų126133.6 Ų133.682%0.81878%0.78SS**  -134.5169.589.338.7-27.5000114.1
210A28.9Very low37.6Very low76 Ų76129 Ų12963%0.62878%0.779SS**  trans-98.7159.1173.400000112.3
211D29.2Very low37.8Very low158 Ų158126.8 Ų126.885%0.84577%0.773SS**  trans77.4158.9144.7-70.1-7.4000121.2
212P59Low37.2Very low112 Ų112127.4 Ų127.473%0.72778%0.777SS**  trans-109.8-167.4-141.443.5-39.3000114.4
213P38.5Very low36.5Very low126 Ų126126.1 Ų126.182%0.81878%0.775SS**  trans-131.4144.4145.234.7-21.6000115.2
214E31.4Very low36.8Very low177 Ų177124.2 Ų124.283%0.82777%0.773SS**  trans-69.4158.2174.6-72.7161.691.300114.9
215S30.3Very low36.7Very low118 Ų118124 Ų12483%0.82577%0.772SS**  trans-142.4123.5141.761.70000109.8
216P41.8Very low36.5Very low110 Ų110126 Ų12671%0.71478%0.776SS**  trans-101.7-176.5-165.541.5-36.9000113.8
217P58Low36.8Very low117 Ų117126.4 Ų126.476%0.7678%0.776SS**  trans-110.7-157.6-145.440.1-29.7000115.3
218P44.1Very low36.9Very low126 Ų126127.7 Ų127.782%0.81878%0.779SS**  -143152.2102.937.2-21.8000118.5
219A35.2Very low36.9Very low87 Ų87126.4 Ų126.472%0.71978%0.779SS**  trans-28.5173155.200000118.9
220P42Very low37.5Very low127 Ų127126.1 Ų126.183%0.82578%0.777SS**  cis-137.7162.717.440.6-21.5000120.2
221D34.7Very low38.2Very low139 Ų139128 Ų12874%0.74378%0.782SS**  trans-58.2167.7163-127.5-31.7000112.7A223D221-A223 PolarHBondContact OD1-N 3.39Å
222P45.1Very low39.1Very low120 Ų120126.2 Ų126.278%0.77978%0.779SS**  -148.1132.763.736.4-14.5000119.2
223A28.2Very low38.2Very low73 Ų73126.4 Ų126.460%0.60378%0.784SS**  82.6144.212300000122.9D221D221-A223 PolarHBondContact OD1-N 3.39Å
224L34.9Very low38.1Very low157 Ų157125.2 Ų125.282%0.82278%0.778SS**  trans78130.9165.8-46.5-177.1000117.8
225E30.5Very low38.6Very low177 Ų177124.4 Ų124.483%0.82778%0.779SS**  cis-161.7-174.6-25.4-139-174.5-173.100110.1
226L33.5Very low39.2Very low151 Ų151126.8 Ų126.879%0.79178%0.781SS**  trans-60.3161.2-169.1-9563.5000117.5
227P32.4Very low39.2Very low129 Ų129132.4 Ų132.484%0.83879%0.788SS**  trans-79.7130.8169.933-32.8000112.6
228S28.9Very low38.5Very low113 Ų113131.6 Ų131.679%0.7978%0.783SS**  trans-114.3124.2171.363.70000112.4
229T37.1Very low38.6Very low136 Ų136137.4 Ų137.483%0.83479%0.789SS**  trans-67.7160.315029.60000109.7
230P44.8Very low39.3Very low119 Ų119139.6 Ų139.677%0.77379%0.788SS**  cis-131.6-15118.644.4-25.1000110.9
231P41.9Very low39.7Very low115 Ų115138.1 Ų138.175%0.74778%0.78SS**  cis-122.9175.9-12.242.3-26.4000114.3
232P48.9Very low40.7Very low121 Ų121137.4 Ų137.479%0.78678%0.783SS**  trans-95.3138.6-163.335.5-33.3000114.4
233S40.3Very low40.8Very low117 Ų117143.2 Ų143.282%0.81879%0.789SS**  trans167.2123.3136.445.40000112.4
234S36.8Very low42.1Very low100 Ų100143 Ų14370%0.69979%0.794SS**  trans175.2-20.9150.7430000114.7L236S234-L236 PolarHBondContact O-N 3.01Å
235L41.9Very low43Very low161 Ų161139.6 Ų139.684%0.84378%0.776SS**  trans-102.453.6-168.5-64.3-176.7000116
236L42.4Very low44.1Very low168 Ų168134.9 Ų134.988%0.8877%0.768SS**  trans-147.367.3150.2-79.7-171000110.9S234 P238S234-L236 PolarHBondContact O-N 3.01Å; L236-P238 VanDerWaalsContact O-CD 3.27Å; L236-P238 WeakPolarHBondContact O-CD 3.45Å
237R42.7Very low44.9Very low227 Ų227132.3 Ų132.386%0.85776%0.76SS**  trans-99.595.5159.2-77.4-173.2-172.1146.45.8109.7R239R237-R239 PolarHBondContact O-N 3.4Å
238P41.6Very low46Very low100 Ų100131.6 Ų131.665%0.64975%0.749SS**  trans-59.3124162.125.7-32.3000108.3L236 L240L236-P238 VanDerWaalsContact O-CD 3.27Å; L236-P238 WeakPolarHBondContact O-CD 3.45Å; P238-L240 VanDerWaalsContact C-N 3.27Å; P238-L240 PolarHBondContact O-N 3.12Å
239R47.5Very low47.1Very low249 Ų249132.2 Ų132.294%0.9474%0.737SS**  trans-72.583.4178.3-71.5-157.6-179.1-143.74.9110.3R237 S241R237-R239 PolarHBondContact O-N 3.4Å; R239-S241 PolarHBondContact O-N 2.85Å
240L48.5Very low48Very low133 Ų133135.6 Ų135.670%0.69674%0.735SS**  trans-71.9114.6169.4-68.1170.3000109.1P238 L245P238-L240 VanDerWaalsContact C-N 3.27Å; P238-L240 PolarHBondContact O-N 3.12Å; L240-L245 HydrophobicContact CD1-CD1 3.8Å
241S51.5Low48.7Very low95 Ų95133.3 Ų133.366%0.66472%0.722SS**  trans-61155172.148.50000111.1R239 W243R239-S241 PolarHBondContact O-N 2.85Å; S241-W243 PolarHBondContact O-N 3.5Å
242P56.2Low50Low124 Ų124131.1 Ų131.181%0.80571%0.706SS**SBendtrans-80.853.6-162.233.8-38.5000114.3
243W46.3Very low50.9Low242 Ų242134.7 Ų134.792%0.91770%0.704SS**SBendtrans-143.1116.9171.9-69.889.5000111.2S241S241-W243 PolarHBondContact O-N 3.5Å
244G55.2Low52.2Low68 Ų68132.4 Ų132.470%0.70169%0.688SS**SBendtrans130.4-19.7149.100000120.5P247G244-P247 WeakPolarHBondContact O-CD 3.48Å
245L54.4Low54Low86 Ų86134.1 Ų134.145%0.4568%0.683SS.*  trans-88.9-8.9-172-89168.6000116.6L240 P247 L248 F249L240-L245 HydrophobicContact CD1-CD1 3.8Å; L245-P247 VanDerWaalsContact C-CD 3.45Å; L245-L248 PolarHBondContact O-N 2.96Å; L245-F249 HydrophobicContact CB-CD2 4.2Å; L245-F249 HydrophobicContact CB-CE2 3.97Å; L245-F249 HydrophobicContact CD1-CE2 4.21Å; L245-F249 HydrophobicContact CD2-CE2 3.9Å; L245-F249 HydrophobicContact CG-CE2 4.25Å; L245-F249 WeakPolarHBondContact O-CD2 3.41Å
246A52.3Low55.9Low78 Ų78131.6 Ų131.665%0.64567%0.67SS**Hα-helixtrans-58.5-36.2-178.600000115.9
247P52.2Low57.4Low98 Ų98130.2 Ų130.264%0.63666%0.659SS**Hα-helixtrans-69.6-34.9-178.7-2033.5000113.5G244 L245G244-P247 WeakPolarHBondContact O-CD 3.48Å; L245-P247 VanDerWaalsContact C-CD 3.45Å
248L53.9Low58.6Low113 Ų113122.4 Ų122.459%0.59264%0.639SS**Hα-helixtrans-73-43.6-174.8-12982.3000111.6L245 R250 S251 V252L245-L248 PolarHBondContact O-N 2.96Å; L248-R250 VanDerWaalsContact C-N 3.34Å; L248-R250 PolarHBondContact O-N 2.99Å; L248-S251 PolarHBondContact O-N 3.49Å; L248-S251 PolarHBondContact O-OG 3.47Å; L248-S251 VanDerWaalsContact O-OG 3.05Å; L248-V252 WeakPolarHBondContact O-CG2 3.48Å; L248-V252 PolarHBondContact O-N 2.93Å
249F52.5Low60.2Low126 Ų126122.5 Ų122.555%0.55363%0.629SS**Hα-helixtrans-71.6-25.3-178-69.7-63.4000113.7L245 R253L245-F249 HydrophobicContact CB-CD2 4.2Å; L245-F249 HydrophobicContact CB-CE2 3.97Å; L245-F249 HydrophobicContact CD1-CE2 4.21Å; L245-F249 HydrophobicContact CD2-CE2 3.9Å; L245-F249 HydrophobicContact CG-CE2 4.25Å; L245-F249 WeakPolarHBondContact O-CD2 3.41Å; F249-R253 VanDerWaalsContact O-CB 3.29Å; F249-R253 WeakPolarHBondContact O-CB 3.47Å; F249-R253 WeakPolarHBondContact O-CG 3.37Å; F249-R253 PolarHBondContact O-N 2.98Å
250R55.2Low61.5Low207 Ų207112.6 Ų112.678%0.78160%0.601SS**Hα-helixtrans-67.6-38.6169.9-71.4-158.674.9-169.12.9112.3L248 S254L248-R250 VanDerWaalsContact C-N 3.34Å; L248-R250 PolarHBondContact O-N 2.99Å; R250-S254 VanDerWaalsContact O-CB 3.31Å; R250-S254 WeakPolarHBondContact O-CB 3.42Å; R250-S254 PolarHBondContact O-N 3.07Å
251S59.9Low62.3Low71 Ų71111 Ų11150%0.49759%0.593SS.*Hα-helixtrans-72.6-37.1177.279.80000111.8L248 S254 K255L248-S251 PolarHBondContact O-N 3.49Å; L248-S251 PolarHBondContact O-OG 3.47Å; L248-S251 VanDerWaalsContact O-OG 3.05Å; S251-S254 PolarHBondContact O-N 3.06Å; S251-K255 WeakPolarHBondContact O-CB 3.41Å; S251-K255 PolarHBondContact O-N 3.49Å
252V69.4Low63Low70 Ų70112 Ų11242%0.42459%0.589SS.*Hα-helixtrans-65.9-43.1174.11750000111.4L248 K255 L256L248-V252 WeakPolarHBondContact O-CG2 3.48Å; L248-V252 PolarHBondContact O-N 2.93Å; V252-K255 PolarHBondContact O-N 3.3Å; V252-L256 HydrophobicContact CG1-CD1 3.97Å; V252-L256 WeakPolarHBondContact O-CB 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.23Å; V252-L256 PolarHBondContact O-N 3.24Å
253R67.3Low63.2Low196 Ų196114 Ų11474%0.7459%0.586SS**Hα-helixtrans-59.2-51.6172.7-82.6-71.5-159.9143.33111.9F249 K255 L256 E257F249-R253 VanDerWaalsContact O-CB 3.29Å; F249-R253 WeakPolarHBondContact O-CB 3.47Å; F249-R253 WeakPolarHBondContact O-CG 3.37Å; F249-R253 PolarHBondContact O-N 2.98Å; R253-K255 VanDerWaalsContact C-N 3.28Å; R253-K255 PolarHBondContact O-N 3.23Å; R253-L256 PolarHBondContact O-N 3.32Å; R253-E257 VanDerWaalsContact O-CB 3.25Å; R253-E257 WeakPolarHBondContact O-CB 3.2Å; R253-E257 PolarHBondContact O-N 2.91Å
254S69.4Low64.1Low69 Ų69109 Ų10948%0.48358%0.576SS.*Hα-helixtrans-63.3-33178.9173.70000112.8R250 S251 S258R250-S254 VanDerWaalsContact O-CB 3.31Å; R250-S254 WeakPolarHBondContact O-CB 3.42Å; R250-S254 PolarHBondContact O-N 3.07Å; S251-S254 PolarHBondContact O-N 3.06Å; S254-S258 WeakPolarHBondContact O-CB 3.45Å; S254-S258 PolarHBondContact O-N 3.39Å
255K74.3Confident64.2Low135 Ų135109.4 Ų109.459%0.58757%0.565SS**Hα-helixtrans-73.2-40.4176.1-162.7178.1-175.3-175.10111.9S251 V252 R253 S258 F259S251-K255 WeakPolarHBondContact O-CB 3.41Å; S251-K255 PolarHBondContact O-N 3.49Å; V252-K255 PolarHBondContact O-N 3.3Å; R253-K255 VanDerWaalsContact C-N 3.28Å; R253-K255 PolarHBondContact O-N 3.23Å; K255-S258 PolarHBondContact O-N 2.74Å; K255-F259 HydrophobicContact CD-CE2 4.17Å; K255-F259 HydrophobicContact CG-CD2 4.14Å; K255-F259 HydrophobicContact CG-CE2 3.72Å; K255-F259 HydrophobicContact CG-CZ 4.5Å; K255-F259 WeakPolarHBondContact O-CD2 3.17Å; K255-F259 WeakPolarHBondContact O-CG 3.43Å; K255-F259 PolarHBondContact O-N 3Å
256L80.2Confident64.3Low109 Ų109110.1 Ų110.157%0.57158%0.575SS**Hα-helixtrans-65.6-39.2171.8-80.3165.9000112.2V252 R253 F259 A260V252-L256 HydrophobicContact CG1-CD1 3.97Å; V252-L256 WeakPolarHBondContact O-CB 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.23Å; V252-L256 PolarHBondContact O-N 3.24Å; R253-L256 PolarHBondContact O-N 3.32Å; L256-F259 PolarHBondContact O-N 2.85Å; L256-A260 WeakPolarHBondContact O-CB 3.35Å; L256-A260 PolarHBondContact O-N 3.46Å
257E74.6Confident64.4Low139 Ų139114.5 Ų114.565%0.6559%0.588SS**Hα-helixtrans-63.3-43.5174.2-177.4173.4-147.500111.3R253 A260 D261R253-E257 VanDerWaalsContact O-CB 3.25Å; R253-E257 WeakPolarHBondContact O-CB 3.2Å; R253-E257 PolarHBondContact O-N 2.91Å; E257-A260 WeakPolarHBondContact O-CB 3.26Å; E257-A260 PolarHBondContact O-N 3.09Å; E257-D261 WeakPolarHBondContact O-CB 3.32Å; E257-D261 PolarHBondContact O-N 3.46Å
258S69.1Low64.4Low63 Ų63118.8 Ų118.844%0.44160%0.597SS.*Hα-helixtrans-65.5-38.1172.9177.40000113S254 K255 D261 I262S254-S258 WeakPolarHBondContact O-CB 3.45Å; S254-S258 PolarHBondContact O-N 3.39Å; K255-S258 PolarHBondContact O-N 2.74Å; S258-D261 PolarHBondContact O-N 3.11Å; S258-I262 WeakPolarHBondContact O-CD1 3.46Å; S258-I262 WeakPolarHBondContact O-CG1 3.38Å; S258-I262 PolarHBondContact O-N 2.9Å
259F73.9Confident64.3Low101 Ų101119.4 Ų119.444%0.44361%0.605SS.*Hα-helixtrans-65.9-41172.4-75.7-55.5000111.6K255 L256 D261 I262 F263K255-F259 HydrophobicContact CD-CE2 4.17Å; K255-F259 HydrophobicContact CG-CD2 4.14Å; K255-F259 HydrophobicContact CG-CE2 3.72Å; K255-F259 HydrophobicContact CG-CZ 4.5Å; K255-F259 WeakPolarHBondContact O-CD2 3.17Å; K255-F259 WeakPolarHBondContact O-CG 3.43Å; K255-F259 PolarHBondContact O-N 3Å; L256-F259 PolarHBondContact O-N 2.85Å; F259-D261 VanDerWaalsContact C-N 3.35Å; F259-D261 PolarHBondContact O-N 3.46Å; F259-I262 PolarHBondContact O-N 3.23Å; F259-F263 HydrophobicContact CD1-CE2 4.36Å; F259-F263 WeakPolarHBondContact O-CD2 3.4Å; F259-F263 PolarHBondContact O-N 3.42Å
260A74.6Confident64Low41 Ų41119.6 Ų119.634%0.33962%0.619SS.*Hα-helixtrans-60.9-42.8174.700000111.4L256 E257 F263 L264L256-A260 WeakPolarHBondContact O-CB 3.35Å; L256-A260 PolarHBondContact O-N 3.46Å; E257-A260 WeakPolarHBondContact O-CB 3.26Å; E257-A260 PolarHBondContact O-N 3.09Å; A260-F263 PolarHBondContact O-N 3.33Å; A260-L264 HydrophobicContact CB-CD1 4.14Å; A260-L264 WeakPolarHBondContact O-CA 3.42Å; A260-L264 WeakPolarHBondContact O-CB 3.35Å; A260-L264 WeakPolarHBondContact O-CG 3.29Å; A260-L264 PolarHBondContact O-N 2.78Å
261D65.6Low63.7Low101 Ų101118.3 Ų118.354%0.5462%0.622SS.*Hα-helixtrans-63.8-40.6175.8-165.318.9000112E257 S258 F259 F263 T265E257-D261 WeakPolarHBondContact O-CB 3.32Å; E257-D261 PolarHBondContact O-N 3.46Å; S258-D261 PolarHBondContact O-N 3.11Å; F259-D261 VanDerWaalsContact C-N 3.35Å; F259-D261 PolarHBondContact O-N 3.46Å; D261-F263 PolarHBondContact O-N 3.19Å; D261-T265 WeakPolarHBondContact O-CB 3.31Å; D261-T265 PolarHBondContact O-N 2.78Å; D261-T265 PolarHBondContact O-OG1 2.99Å; D261-T265 PolarHBondContact OD1-OG1 2.79Å
262I67.4Low63.2Low114 Ų114119.9 Ų119.959%0.58563%0.631SS**Hα-helixtrans-65.4-35.4176.8-68.5162000112.8S258 F259S258-I262 WeakPolarHBondContact O-CD1 3.46Å; S258-I262 WeakPolarHBondContact O-CG1 3.38Å; S258-I262 PolarHBondContact O-N 2.9Å; F259-I262 PolarHBondContact O-N 3.23Å
263F60.1Low62.8Low166 Ų166122 Ų12273%0.72865%0.646SS**Hα-helixtrans-99.6-24.6-174.9-72.9-66.1000115F259 A260 D261F259-F263 HydrophobicContact CD1-CE2 4.36Å; F259-F263 WeakPolarHBondContact O-CD2 3.4Å; F259-F263 PolarHBondContact O-N 3.42Å; A260-F263 PolarHBondContact O-N 3.33Å; D261-F263 PolarHBondContact O-N 3.19Å
264L64.8Low62.5Low138 Ų138118.2 Ų118.272%0.72365%0.647SS**Hα-helixtrans-106.3-15.7-176-57.1175.4000113.6A260 P266A260-L264 HydrophobicContact CB-CD1 4.14Å; A260-L264 WeakPolarHBondContact O-CA 3.42Å; A260-L264 WeakPolarHBondContact O-CB 3.35Å; A260-L264 WeakPolarHBondContact O-CG 3.29Å; A260-L264 PolarHBondContact O-N 2.78Å; L264-P266 WeakPolarHBondContact O-CD 3.47Å
265T58.3Low61.7Low76 Ų76121 Ų12147%0.46666%0.663SS.*SBendtrans-82.4107.8172.7-62.70000108.9D261 N267D261-T265 WeakPolarHBondContact O-CB 3.31Å; D261-T265 PolarHBondContact O-N 2.78Å; D261-T265 PolarHBondContact O-OG1 2.99Å; D261-T265 PolarHBondContact OD1-OG1 2.79Å; T265-N267 PolarHBondContact O-N 3.05Å
266P55.7Low60.6Low102 Ų102119.6 Ų119.666%0.66267%0.67SS**  trans-63.2138.1179.227.6-34.8000109.5L264 K268L264-P266 WeakPolarHBondContact O-CD 3.47Å; P266-K268 VanDerWaalsContact C-N 3.32Å; P266-K268 PolarHBondContact O-N 2.79Å
267N53.7Low59.7Low169 Ų169119.6 Ų119.690%0.90468%0.676SS**  trans-50.284.6-174.9-74.8-50.8000113.5T265 T269T265-N267 PolarHBondContact O-N 3.05Å; N267-T269 PolarHBondContact O-N 2.77Å
268K52.6Low58.3Low189 Ų189119 Ų11982%0.82268%0.684SS**  trans-77.9104.2166.6-81.8-167.6172.6-175.70108P266P266-K268 VanDerWaalsContact C-N 3.32Å; P266-K268 PolarHBondContact O-N 2.79Å
269T51.8Low56.9Low126 Ų126123.9 Ų123.977%0.77370%0.702SS**  trans-49.2131.2164.1390000109.6N267 Q271N267-T269 PolarHBondContact O-N 2.77Å; T269-Q271 PolarHBondContact O-N 3.33Å
270P45.3Very low55.3Low130 Ų130128 Ų12884%0.84472%0.72SS**  trans-60.1114.1179.1-25.634.9000110.9
271Q49Very low53.9Low179 Ų179133.3 Ų133.384%0.83674%0.742SS**PPolyproline II helixtrans-68.2126.5172.8-176.4175.4-800108.6T269T269-Q271 PolarHBondContact O-N 3.33Å
272P49.7Very low53Low105 Ų105136.1 Ų136.168%0.68275%0.752SS**PPolyproline II helixtrans-65.5143178.226.5-33.5000110.5
273P61.5Low51.9Low115 Ų115137.5 Ų137.575%0.74776%0.76SS**PPolyproline II helixtrans-65.4146177.328.1-34.5000110.8
274P61.3Low51.1Low116 Ų116139.2 Ų139.275%0.75377%0.767SS**PPolyproline II helixtrans-65.3146.917828-34.6000111.1S276P274-S276 PolarHBondContact O-N 3.13Å
275P51.7Low50.2Low126 Ų126138.3 Ų138.382%0.81876%0.762SS**PPolyproline II helixtrans-65.9131.818027.3-34.2000111.2
276S51.5Low49.3Very low106 Ų106139.6 Ų139.674%0.74178%0.78SS**PPolyproline II helixtrans-65.3143.4174.353.60000111.7P274P274-S276 PolarHBondContact O-N 3.13Å
277P61.5Low48.4Very low109 Ų109141.8 Ų141.871%0.70879%0.785SS**PPolyproline II helixtrans-63.4150.3178.527-34.7000112.2M279P277-M279 PolarHBondContact O-N 3.13Å
278P46.4Very low47.7Very low126 Ų126139.1 Ų139.182%0.81878%0.779SS**PPolyproline II helixtrans-69.5123.6-172.627.4-34.6000112.1K280P278-K280 PolarHBondContact O-N 3.49Å
279M38.9Very low46.9Very low166 Ų166138.5 Ų138.582%0.81878%0.779SS**PPolyproline II helixtrans-71.2122173.8-63.7-179.87200110.3P277 L281P277-M279 PolarHBondContact O-N 3.13Å; M279-L281 PolarHBondContact O-N 3.27Å; M279-L281 VanDerWaalsContact O-N 3.13Å
280K39.8Very low46.2Very low189 Ų189137.3 Ų137.382%0.82278%0.782SS**  trans-65.7107.9168-81.5-175.9172.6-175.90109.6P278P278-K280 PolarHBondContact O-N 3.49Å
281L44.7Very low45.7Very low152 Ų152138 Ų13880%0.79677%0.774SS**  trans-93.997.9166.7-65.9177.2000108.7M279 L283M279-L281 PolarHBondContact O-N 3.27Å; M279-L281 VanDerWaalsContact O-N 3.13Å; L281-L283 PolarHBondContact O-N 3.38Å
282E46.7Very low45.3Very low159 Ų159137.3 Ų137.374%0.74377%0.771SS**  trans-73.992.8175.7-69.6-175.4-17900110.5K284E282-K284 PolarHBondContact O-N 3.3Å
283L44.2Very low44.6Very low144 Ų144137.8 Ų137.875%0.75478%0.776SS**  trans-74.392.2174.8-118.6162000109.6L281 I285L281-L283 PolarHBondContact O-N 3.38Å; L283-I285 VanDerWaalsContact C-N 3.28Å; L283-I285 HydrophobicContact CD2-CG1 4.06Å; L283-I285 PolarHBondContact O-N 3.45Å
284K44.3Very low43.2Very low201 Ų201135.8 Ų135.887%0.87478%0.777SS**  trans-66.885.6169.1-81.2-174.8173.9179.40110.5E282E282-K284 PolarHBondContact O-N 3.3Å
285I45.4Very low41.8Very low120 Ų120135.1 Ų135.162%0.61578%0.781SS**  trans-85.8112.7166-54.2177000107L283 I287L283-I285 VanDerWaalsContact C-N 3.28Å; L283-I285 HydrophobicContact CD2-CG1 4.06Å; L283-I285 PolarHBondContact O-N 3.45Å; I285-I287 HydrophobicContact CB-CG1 4.46Å; I285-I287 HydrophobicContact CG2-CD1 4.38Å; I285-I287 HydrophobicContact CG2-CG1 3.74Å; I285-I287 PolarHBondContact O-N 2.9Å; I285-I287 VanDerWaalsContact O-N 3.14Å
286A39.8Very low41Very low103 Ų103133.4 Ų133.485%0.85178%0.778SS**  trans-74100.8168.300000108.5
287I37.4Very low40.4Very low148 Ų148137.7 Ų137.776%0.75979%0.786SS**  trans-96.9107.1168.8-53179000106.3I285I285-I287 HydrophobicContact CB-CG1 4.46Å; I285-I287 HydrophobicContact CG2-CD1 4.38Å; I285-I287 HydrophobicContact CG2-CG1 3.74Å; I285-I287 PolarHBondContact O-N 2.9Å; I285-I287 VanDerWaalsContact O-N 3.14Å
288S39.1Very low39.2Very low113 Ų113135.8 Ų135.879%0.7979%0.786SS**  trans-73.7124.517049.30000109.6
289E35.2Very low38.8Very low176 Ų176137.1 Ų137.182%0.82279%0.792SS**  trans-56.8140178.1-169.9166.1-143.300113
290A36.9Very low38.7Very low101 Ų101133.2 Ų133.284%0.83579%0.786SS**  trans-145.5126.3162.500000107.6
291E35.3Very low38.7Very low143 Ų143129.4 Ų129.467%0.66878%0.784SS**  trans-89.9150.2-159.6-69.5-172.691.200114.9
292Q40.3Very low38.5Very low166 Ų166128.6 Ų128.678%0.77679%0.785SS**  trans63.3150.2144.5-6617248.800117.2
293S34.8Very low38.1Very low114 Ų114125.7 Ų125.780%0.79778%0.782SS**  cis-162.3160.81050.80000110.8
294G32.4Very low38.2Very low73 Ų73124.7 Ų124.775%0.75378%0.784SS**  trans104.9101.6138.200000120.5
295A30.5Very low38Very low102 Ų102126.1 Ų126.184%0.84378%0.784SS**  trans51.9122.6133.200000124
296A36.6Very low37.8Very low91 Ų91126.3 Ų126.375%0.75279%0.793SS**  trans75.2126.6131.200000123.3
297E37.8Very low38Very low195 Ų195126.8 Ų126.891%0.91179%0.787SS**  trans52.4105.6147.4-64.7-170.9126.900122.4
298G36.8Very low38.3Very low69 Ų69127.9 Ų127.971%0.71179%0.793SS**  77.693.1108.700000119.3
299T36.7Very low38.7Very low155 Ų155133.7 Ų133.795%0.95180%0.797SS**  trans-165165.313410.60000112.9
300A38Very low39Very low83 Ų83132 Ų13269%0.68679%0.79SS**  trans-57.7143.6-162.600000119.5
301S39.4Very low38.6Very low110 Ų110137.5 Ų137.577%0.76979%0.789SS**  82.6158.3129.374.70000122.8
302V40.4Very low39Very low135 Ų135141.9 Ų141.982%0.81880%0.799SS**  trans98120.8161.7-170.40000118.2
303S37.9Very low38.8Very low98 Ų98138.3 Ų138.369%0.68580%0.798SS**  trans-69.9141.2176.2172.10000113.3R305S303-R305 PolarHBondContact O-N 3.43Å
304P46.8Very low38.6Very low122 Ų122140.9 Ų140.979%0.79280%0.797SS**  trans-84.3106.2-17832.6-33.5000112.7
305R39.8Very low38.6Very low232 Ų232142.9 Ų142.988%0.87579%0.791SS**  trans-148.5101.9159.8-144.5179.3-164.3171.66.7111.6S303S303-R305 PolarHBondContact O-N 3.43Å
306P42.5Very low39Very low123 Ų123145.2 Ų145.280%0.79978%0.784SS**PPolyproline II helixtrans-77.1135.6177.429.5-31.9000111.2
307P42.9Very low38.7Very low113 Ų113148.5 Ų148.573%0.73479%0.789SS**PPolyproline II helixtrans-87.6153.8-17934.2-35000113.4R309P307-R309 PolarHBondContact O-N 3.07Å
308I44.5Very low38.7Very low172 Ų172145.3 Ų145.388%0.88278%0.783SS**PPolyproline II helixtrans-70.2125175.3-65.8165.3000110
309R46.7Very low39Very low234 Ų234147.8 Ų147.888%0.88379%0.787SS**  trans-110.9126.8171.3-87.3-173.9167.7-107.71.2112.9P307P307-R309 PolarHBondContact O-N 3.07Å
310Q41.5Very low38.8Very low142 Ų142144.9 Ų144.966%0.66478%0.778SS**  trans-70.3164.1153.8-54.2160.3-48.600107.9
311W29.6Very low38.9Very low216 Ų216146.9 Ų146.982%0.81878%0.784SS**  cis-162.5-176.342.1-88.798.2000111.2
312R43.5Very low38.8Very low234 Ų234150 Ų15088%0.88379%0.791SS**  trans-87.6147.6171.3-80.4-173.8-75.8-127-2114
313A35.9Very low38.6Very low91 Ų91151.5 Ų151.575%0.75279%0.794SS**  trans-157.5132.2136.400000106.1
314Q30.6Very low38.6Very low168 Ų168156.1 Ų156.179%0.78580%0.802SS**  50.9128.388.1-88.4-171.1-92.900113.1
315D32.9Very low38.2Very low116 Ų116156.4 Ų156.462%0.6280%0.804SS**  cis-147.8173.629.8-89.9-51000116.6
316H37.2Very low38Very low151 Ų151151 Ų15170%0.69980%0.801SS**  trans-14.2127.3165.8-52.6-78.8000119.9
317N32Very low37.8Very low159 Ų159153.8 Ų153.885%0.8581%0.809SS**  -179.9156.2111.7-97.2-62.7000111.8
318T37.3Very low37.4Very low128 Ų128151.9 Ų151.979%0.78581%0.81SS**  trans-126.9130.9174.4-58.40000108.2
319P42Very low37.1Very low122 Ų122155.3 Ų155.379%0.79281%0.811SS**  -141.4140.3113.535-21.2000115
320A34.2Very low36.7Very low93 Ų93149.7 Ų149.777%0.76981%0.808SS**  trans59.7142.3155.300000120.5
321P40.2Very low37Very low126 Ų126153.8 Ų153.882%0.81882%0.819SS**PPolyproline II helixtrans-95.6124.2-17435.5-30.8000113.1
322L35.6Very low37.7Very low174 Ų174149 Ų14991%0.91182%0.818SS**PPolyproline II helixtrans-94140160.2-88.2167.5000111.1
323L36.3Very low37.5Very low168 Ų168143.8 Ų143.888%0.8882%0.816SS**PPolyproline II helixtrans-70140.1-162.7-63.3159.7000112.6
324K39.5Very low38.3Very low195 Ų195145.2 Ų145.285%0.84882%0.818SS**  trans-108.3129.4163-71-176.3179.1-1800109.3
325P37.5Very low38.8Very low128 Ų128144.5 Ų144.583%0.83182%0.819SS**  trans-71.5138.4176.429.9-33.5000110.3
326S35.5Very low39.6Very low118 Ų118146.7 Ų146.783%0.82583%0.83SS**  trans-118.2108.2171.963.10000110.5
327L38.3Very low40.3Very low182 Ų182141.9 Ų141.995%0.95382%0.821SS**  trans-111.9131.8162-92.7126.1000107.4
328G34.3Very low41.5Very low73 Ų73140.3 Ų140.375%0.75382%0.82SS**  cis-162.3149.6-9.700000110.2
329R38.2Very low42Very low244 Ų244140.4 Ų140.492%0.92182%0.823SS**  trans-126.9142.1170.1-127.4179-177.3-134.10.5108.7
330S39.2Very low42.2Very low115 Ų115137.6 Ų137.680%0.80482%0.815SS**  trans-66.5141-161.932.30000114.6
331Y46.9Very low43Very low229 Ų229140.1 Ų140.190%0.89882%0.824SS**  trans-65.2133.6175.5-60.4-90.8000112.5
332S45.1Very low42.9Very low116 Ų116136.9 Ų136.981%0.81181%0.814SS**  trans175.66115136.50000113.2
333C40Very low43.3Very low123 Ų123135 Ų13583%0.83181%0.81SS**  trans-144.9138.5159.2-82.30000108.7
334P52.4Low43.3Very low122 Ų122132.8 Ų132.879%0.79281%0.807SS**  trans-71136.816430.8-32000109.5
335D39.7Very low43.4Very low152 Ų152129.9 Ų129.981%0.81381%0.806SS**  trans-77.6122.5-179.9-17015.2000110.3
336L50.4Low43.5Very low163 Ų163134.6 Ų134.685%0.85381%0.807SS**  trans-105.6100.8165.8-67-177.6000106.4
337G51.4Low44Very low49 Ų49133.9 Ų133.951%0.50580%0.8SS.*PPolyproline II helixtrans-57.7165.7-17300000114.4
338P57Low44.4Very low127 Ų127131.5 Ų131.583%0.82580%0.795SS**PPolyproline II helixtrans-62.3140.2-171.525.6-34.6000112.2G340P338-G340 PolarHBondContact O-N 3.31Å
339P49.3Very low44.6Very low130 Ų130132.6 Ų132.684%0.84480%0.797SS**PPolyproline II helixtrans-67.7129.2177.528.2-33.8000110.6
340G44.6Very low45.1Very low62 Ų62126 Ų12664%0.63979%0.786SS**PPolyproline II helixtrans-67.1157.8176.200000113.1P338 G342P338-G340 PolarHBondContact O-N 3.31Å; G340-G342 PolarHBondContact O-N 3.33Å
341P52.1Low45.4Very low146 Ų146126.1 Ų126.195%0.94878%0.783SS**  trans-75.8106.3-178.530.7-33.2000110.8
342G37.8Very low45.3Very low59 Ų59123.4 Ų123.461%0.60878%0.779SS**  trans-159.387.7-177.600000114.1G340G340-G342 PolarHBondContact O-N 3.33Å
343T44Very low45.1Very low135 Ų135123.2 Ų123.283%0.82878%0.775SS**  trans28.5105.7150.152.80000119.1
344C35.9Very low45.5Very low120 Ų120123 Ų12381%0.81178%0.775SS**  trans-14288.9154.1-89.80000110.3
345T42.7Very low45.3Very low134 Ų134128.5 Ų128.582%0.82278%0.78SS**  trans-80.7124.3172.2-54.80000109.8
346W39.7Very low45.3Very low228 Ų228127 Ų12786%0.86478%0.779SS**  trans-138.7146.9163.7-75.899.7000110.6
347P45.7Very low45Very low103 Ų103130.8 Ų130.867%0.66978%0.781SS**  trans-88164.7-161.235.8-36.6000114
348P46.3Very low44.8Very low132 Ų132134.2 Ų134.286%0.85780%0.795SS**  trans-77.1144.617732.4-34.8000112.4
349A38.4Very low44.2Very low95 Ų95139.8 Ų139.879%0.78580%0.799SS**  trans-133.3157.7177.200000110.8
350P47.7Very low44.1Very low107 Ų107144 Ų14470%0.69580%0.799SS**  trans-86.7166.3-145.433.4-38000115.9
351P45.8Very low44Very low116 Ų116149.3 Ų149.375%0.75381%0.806SS**  trans-75.7132177.731.5-34.5000111.7
352Q45.1Very low43.9Very low173 Ų173147.7 Ų147.781%0.80879%0.794SS**  trans-142.8158.5174-78.1-57.1-54.600111.3
353P41.4Very low44.3Very low111 Ų111151.2 Ų151.272%0.72180%0.803SS**  trans-91.8171.8-142.834.7-39.2000116.8
354S47.8Very low44.1Very low118 Ų118148.6 Ų148.683%0.82580%0.803SS**  trans-69.9123-177.2430000114.5
355R48.9Very low44.1Very low238 Ų238146.6 Ų146.690%0.89880%0.802SS**  trans-139.3152.4157.9-82-165.1174.5-172-0.9111.7
356P40.3Very low44.5Very low122 Ų122144 Ų14479%0.79280%0.803SS**PPolyproline II helixtrans-79.1147.5-164.430.5-35.8000114.1
357R44.2Very low44.8Very low242 Ų242142.6 Ų142.691%0.91381%0.806SS**PPolyproline II helixtrans-76.7131.4-177.5-69-176.8179-168.1-0.4113.4
358P45.8Very low45Very low121 Ų121146.4 Ų146.479%0.78682%0.817SS**PPolyproline II helixtrans-70.6141.7154.1-14.330.3000111R360P358-R360 PolarHBondContact O-N 2.94Å
359R44Very low45.2Very low244 Ų244145.5 Ų145.592%0.92182%0.82SS**  trans-82.3108.6-175.7-174177.7175.9114.2-3.6110.8
360R47.7Very low45.9Very low219 Ų219152.4 Ų152.483%0.82683%0.826SS**  trans-62.8132.6177.4-75.2-179.2170-112.72112.2P358P358-R360 PolarHBondContact O-N 2.94Å
361H42.2Very low46.2Very low172 Ų172151.4 Ų151.480%0.79683%0.827SS**  trans-109131.1146.646-81.9000106.2
362T50.9Low46.7Very low113 Ų113151.6 Ų151.669%0.69383%0.828SS**  trans-116.4106.7178.3-40.80000107.9
363V45.7Very low47.3Very low133 Ų133148.7 Ų148.781%0.80683%0.825SS**  trans-90.3128161176.20000106.2G365V363-G365 PolarHBondContact O-N 2.79Å
364G39.1Very low48.3Very low79 Ų79148.8 Ų148.881%0.81483%0.825SS**  trans-72.2113.7173.900000109.8
365G36.6Very low48.6Very low78 Ų78149.3 Ų149.380%0.80483%0.825SS**  trans-116.6125.6167.900000108.9V363V363-G365 PolarHBondContact O-N 2.79Å
366G50.8Low48.7Very low81 Ų81149.1 Ų149.184%0.83583%0.825SS**  trans-146.781.3176.900000109.3
367E46.3Very low49.4Very low197 Ų197149.3 Ų149.392%0.92183%0.826SS**  trans-152154.8166.9-123.5172.3-164.200110.1
368M49.3Very low49.4Very low184 Ų184143.3 Ų143.391%0.90682%0.82SS**  trans-74.7154.1-156.4-68.6171.6155.900114.5R370M368-R370 PolarHBondContact O-N 3.09Å
369A51.9Low49.2Very low112 Ų112145.9 Ų145.993%0.92683%0.826SS**  trans-60.7119.2178.800000112.1
370R51.6Low49.2Very low240 Ų240145 Ų14591%0.90682%0.823SS**  trans-132.7141.9164.4-160.3173.1-172.9-162.21.2109.1M368M368-R370 PolarHBondContact O-N 3.09Å
371A54.9Low49Very low87 Ų87143.9 Ų143.972%0.71982%0.824SS**PPolyproline II helixtrans-56.5146.1-173.200000112.8
372P57Low48.9Very low120 Ų120142.6 Ų142.678%0.77982%0.818SS**PPolyproline II helixtrans-65.8137.7-179.527.5-34.5000111.2
373P56Low48.5Very low112 Ų112143.2 Ų143.273%0.72782%0.822SS**PPolyproline II helixtrans-69.9150.6173.130.1-34.5000110.9
374P62.7Low48Very low113 Ų113144.3 Ų144.373%0.73482%0.816SS**PPolyproline II helixtrans-65.5147.618027.2-34.8000111.8R376P374-R376 PolarHBondContact O-N 3.41Å
375P54.9Low48.6Very low128 Ų128146 Ų14683%0.83181%0.813SS**PPolyproline II helixtrans-66.4124-179.627.3-34000110.5
376R51.2Low48.8Very low234 Ų234149.9 Ų149.988%0.88381%0.814SS**PPolyproline II helixtrans-70.8139.3171.9-68-176.3175.4-167.4-2.5109.8P374 C378P374-R376 PolarHBondContact O-N 3.41Å; R376-C378 PolarHBondContact O-N 2.75Å
377P53.9Low48.2Very low127 Ų127150 Ų15083%0.82582%0.815SS**PPolyproline II helixtrans-63.7129.4179.126.6-33.7000110
378C44.9Very low47.5Very low116 Ų116144.2 Ų144.278%0.78481%0.809SS**PPolyproline II helixtrans-64.8135.7169.748.50000109.6R376 R380R376-C378 PolarHBondContact O-N 2.75Å; C378-R380 PolarHBondContact O-N 3.42Å
379L41.9Very low47.1Very low175 Ų175145.3 Ų145.392%0.91681%0.814SS**  trans-59.5103.6174.6-101.8148000109.2K381L379-K381 PolarHBondContact O-N 3.23Å
380R44.2Very low46.3Very low226 Ų226143.6 Ų143.685%0.85381%0.807SS**  trans-55.5133.4164.6-106.1179.7158.2145.3-5.6107.5C378 E382C378-R380 PolarHBondContact O-N 3.42Å; R380-E382 PolarHBondContact O-N 3.41Å
381K43.6Very low45.5Very low195 Ų195136.5 Ų136.585%0.84880%0.8SS**  trans-68.197.5170.4-175.4177.1-179.6-178.60107.7L379 V383L379-K381 PolarHBondContact O-N 3.23Å; K381-V383 PolarHBondContact O-N 3.34Å
382E40.3Very low44.4Very low145 Ų145137.9 Ų137.968%0.67881%0.805SS**  trans-60.1122.2174.2-67.8-177.7162.300109.2R380 F384R380-E382 PolarHBondContact O-N 3.41Å; E382-F384 HydrophobicContact CB-CD2 4.3Å; E382-F384 HydrophobicContact CB-CE2 3.9Å; E382-F384 WeakPolarHBondContact OE2-CE2 3.16Å
383V42.4Very low43.8Very low125 Ų125138.1 Ų138.176%0.75881%0.806SS**  trans-96.6103.3169.6176.50000105.8K381 P385K381-V383 PolarHBondContact O-N 3.34Å; V383-P385 WeakPolarHBondContact O-CD 3.06Å
384F35Very low42.7Very low156 Ų156138.4 Ų138.468%0.68481%0.811SS**  trans-78.2122.4170.2-76.4-86.9000109.5E382E382-F384 HydrophobicContact CB-CD2 4.3Å; E382-F384 HydrophobicContact CB-CE2 3.9Å; E382-F384 WeakPolarHBondContact OE2-CE2 3.16Å
385P52.1Low41.3Very low116 Ų116141 Ų14175%0.75382%0.818SS**  trans-95.5100.9168.734.1-24.5000109.1V383V383-P385 WeakPolarHBondContact O-CD 3.06Å
386L40.3Very low40.3Very low158 Ų158139.8 Ų139.883%0.82782%0.818SS**  trans-136.7115.6160.5-85.4106.3000109.8
387G37.9Very low39.4Very low83 Ų83135 Ų13586%0.85682%0.815SS**  trans-76.5149.3161.100000110.1
388G32.2Very low38.2Very low77 Ų77134.1 Ų134.179%0.79481%0.812SS**  trans-177.4108.917800000110.2
389M40.8Very low37.4Very low206 Ų206134.5 Ų134.5100%1.01582%0.815SS**  trans-68.6129.5177.1-165.987.577.300109.8
390G34.1Very low36.8Very low76 Ų76131.5 Ų131.578%0.78481%0.808SS**  trans-175.4132.6177.100000112.1
391A34.7Very low36.2Very low92 Ų92127 Ų12776%0.7681%0.811SS**  trans-93.8141.3-166.200000114.5
392S31.8Very low35.8Very low116 Ų116123.8 Ų123.881%0.81181%0.808SS**  trans56.2161.5142.8-570000121.1
393P45.6Very low35.3Very low125 Ų125121.8 Ų121.881%0.81282%0.817SS**  cis-118.9175.6-8.438.2-23.8000114
394S31.1Very low34.8Very low117 Ų117121.4 Ų121.482%0.81882%0.819SS**  trans-84.7136.9-176.546.10000114.3
395L34.8Very low34.6Very low169 Ų169120.6 Ų120.689%0.88583%0.827SS**  trans-119.3103166.6-107.7159.3000109.4
396A32.7Very low33.7Very low101 Ų101120.9 Ų120.984%0.83583%0.832SS**  trans-82.4119.7176.700000110.5
397T34Very low33.3Very low134 Ų134119.3 Ų119.382%0.82283%0.834SS**  trans-102.1101.7174.1-42.90000109.9
398S27.7Very low33Very low109 Ų109123.6 Ų123.676%0.76283%0.83SS**  trans-75.5132.7173.5-1770000110.9
399C27.9Very low33Very low124 Ų124125.8 Ų125.884%0.83883%0.833SS**  trans-108112.3174.156.50000110.8
400S28.9Very low32.5Very low111 Ų111124 Ų12478%0.77682%0.822SS**  trans-125.5127170.4-77.10000110.8
401S32Very low32.8Very low131 Ų131126.3 Ų126.392%0.91682%0.823SS**  trans-75.1125.8-179.2-53.70000111.2
402T34.9Very low32.6Very low129 Ų129126.7 Ų126.779%0.79183%0.826SS**  trans-99.5115.8169.252.80000111
403A31.3Very low32.8Very low103 Ų103127.9 Ų127.985%0.85182%0.819SS**  trans-75.5138.3156.200000108.8
404S32Very low32.2Very low116 Ų116128.1 Ų128.181%0.81182%0.82SS**  trans-117.5118.5176-60.60000110.4
405T30.6Very low32.4Very low140 Ų140131.7 Ų131.786%0.85982%0.816SS**  trans-81141.7172.646.90000110.8
406S32.3Very low32.3Very low121 Ų121131.9 Ų131.985%0.84682%0.817SS**  trans-66.1143172.9480000112.4
407S32Very low32Very low125 Ų125130.7 Ų130.787%0.87481%0.814SS**  trans-138.3152.9159.4-167.80000109.3
408F31.3Very low32Very low174 Ų174129.2 Ų129.276%0.76381%0.81SS**  trans-111.2143.7-165-164-90000109.2
409S32Very low32.4Very low122 Ų122129.8 Ų129.885%0.85381%0.808SS**  trans-155.6140.6166.4-72.50000110.8
410E29.8Very low32.6Very low169 Ų169134 Ų13479%0.7981%0.812SS**  trans-101.2155.7-169.6-166.3166.2150.500110.2
411P40.5Very low32.7Very low125 Ų125132.1 Ų132.181%0.81281%0.811SS**  trans-94152.2-167.735.9-34000114.3
412A30.8Very low32.7Very low99 Ų99136 Ų13682%0.81881%0.811SS**  trans-135.8141.1164.900000110.7
413E36.4Very low32.6Very low142 Ų142138.1 Ų138.166%0.66481%0.812SS**  trans-61.1159.1174.5-80.8175.9104.600112.1R415E413-R415 WeakPolarHBondContact OE1-CG 3.43Å; E413-R415 IonicContact OE1-CZ 3.55Å; E413-R415 IonicContact OE1-NE 3.36Å; E413-R415 PolarHBondContact OE1-NE 3.17Å; E413-R415 IonicContact OE1-NH2 3.37Å; E413-R415 PolarHBondContact OE1-NH2 3.42Å
414P32.9Very low33.1Very low129 Ų129138.3 Ų138.384%0.83880%0.804SS**  -131.2142119.135.8-28.9000113.5
415R35.1Very low33Very low193 Ų193143.7 Ų143.773%0.72881%0.807SS**  trans-103.1140.3167.2-53.8-178.7-178.1-174.52109.6E413E413-R415 WeakPolarHBondContact OE1-CG 3.43Å; E413-R415 IonicContact OE1-CZ 3.55Å; E413-R415 IonicContact OE1-NE 3.36Å; E413-R415 PolarHBondContact OE1-NE 3.17Å; E413-R415 IonicContact OE1-NH2 3.37Å; E413-R415 PolarHBondContact OE1-NH2 3.42Å
416L33.7Very low32.9Very low173 Ų173141.6 Ų141.691%0.90680%0.804SS**  172.3146.1116.3-121.670.2000113.4
417G26.4Very low33Very low76 Ų76142 Ų14278%0.78481%0.807SS**  trans83.6145.3158.200000117.4
418S34.3Very low33.3Very low103 Ų103145.3 Ų145.372%0.7281%0.806SS**  cis-162.5127.7-7.8-166.90000113.3
419T34.3Very low33.6Very low120 Ų120143.8 Ų143.874%0.73681%0.805SS**  trans50.3144.2146.263.70000124.9
420K34.2Very low33.8Very low212 Ų212145.2 Ų145.292%0.92280%0.799SS**  trans69.1136167.2-63.8-172.8176.3-178.80116.5
421G29.6Very low34Very low72 Ų72143.2 Ų143.274%0.74280%0.798SS**  cis161.2151.5-6.500000112.3
422K32.7Very low34Very low213 Ų213145.3 Ų145.393%0.92680%0.801SS**  trans72.399.2177.3-66.9-167.8173.1-171.70119.5
423E33.2Very low34.1Very low174 Ų174146.2 Ų146.281%0.81380%0.801SS**  -81.3160.6126.9-174.6176.2178.100107
424P41.1Very low34.2Very low106 Ų106146.6 Ų146.669%0.68881%0.808SS**  cis-141.1164.531.620.68.1000121.9
425R29.6Very low34.8Very low229 Ų229145.8 Ų145.886%0.86480%0.802SS**  trans71.2122.2138.2-76.8178.4-172.5-133.25123.1
426A28.3Very low35.1Very low97 Ų97143.5 Ų143.580%0.80280%0.8SS**  66.8117.5120.700000121.3
427S35.2Very low35.6Very low128 Ų128142 Ų14290%0.89580%0.799SS**  -146.3159.2125.646.80000109.2
428K38.7Very low36.9Very low196 Ų196146.9 Ų146.985%0.85280%0.798SS**  trans-140.3103.7-168.6174-165.6-178.9-175.10108
429D36.1Very low37.6Very low142 Ų142148.5 Ų148.576%0.75980%0.804SS**  trans-171.9147.2168.2-83.8-42.9000105.9
430Q38Very low38.3Very low152 Ų152150.8 Ų150.871%0.7181%0.81SS**  cis-169.9144.2-13.2-115.2-178.579.300105.1
431V32.7Very low39.1Very low127 Ų127143.3 Ų143.377%0.7779%0.793SS**  trans67.2133.1141.1-179.40000120.7
432L40.2Very low40.5Very low168 Ų168149.8 Ų149.888%0.8880%0.801SS**  trans-44133.9176.4-72151.5000116.1
433S33.1Very low41.6Very low118 Ų118145.9 Ų145.983%0.82580%0.795SS**  trans-156110.8137.137.20000111.3
434D38.8Very low42.9Very low151 Ų151141.4 Ų141.481%0.80778%0.783SS**  trans-91.4152.6148-104.4-43.2000106.1
435P45Very low43.9Very low111 Ų111148.2 Ų148.272%0.72180%0.795SS**  cis-145.5165.547.339.2-19.4000118.3
436E41.1Very low45.4Very low145 Ų145145.3 Ų145.368%0.67879%0.788SS**  trans46.397147.6-67.2-167.7-176.500119.6K438E436-K438 IonicContact OE2-NZ 2.81Å
437T44.3Very low47.1Very low143 Ų143151.7 Ų151.788%0.87779%0.792SS**  trans-125.5135.9138.150.80000112T439T437-T439 PolarHBondContact O-N 3.3Å
438K54Low48.8Very low178 Ų178151.8 Ų151.877%0.77478%0.781SS**  trans-90.295.6-164.3-67.1153.7-174.7162.30110.5E436E436-K438 IonicContact OE2-NZ 2.81Å
439T48.9Very low50.2Low136 Ų136153.1 Ų153.183%0.83478%0.78SS**  trans-93.3115.215153.30000108.4T437 G441T437-T439 PolarHBondContact O-N 3.3Å; T439-G441 PolarHBondContact O-N 3.41Å
440I50.6Low51.7Low168 Ų168156.6 Ų156.686%0.86278%0.783SS**  trans-71.182.9175.8-111.6161.6000108K442I440-K442 PolarHBondContact O-N 3.22Å
441G50.9Low53Low56 Ų56155 Ų15558%0.57778%0.784SS**  trans-59.8119.2175.700000108.7T439 V443T439-G441 PolarHBondContact O-N 3.41Å; G441-V443 PolarHBondContact O-N 3.05Å
442K59.1Low54.5Low208 Ų208154.2 Ų154.290%0.90478%0.781SS**  trans-56.595.9179.4-68170-179.3170.90109.2I440 S444I440-K442 PolarHBondContact O-N 3.22Å; K442-S444 PolarHBondContact O-N 3.41Å
443V54.9Low55.6Low131 Ų131150.8 Ų150.879%0.79478%0.777SS**  trans-58.1114.6174.9-178.40000106.9G441 R445G441-V443 PolarHBondContact O-N 3.05Å; V443-R445 PolarHBondContact O-N 3.03Å
444S59.8Low57.1Low80 Ų80155.1 Ų155.156%0.55978%0.775SS**  trans-53.1112.6-175.3-179.70000109.9K442 F446K442-S444 PolarHBondContact O-N 3.41Å; S444-F446 PolarHBondContact O-N 3.33Å
445R62.8Low58.2Low249 Ų249152.4 Ų152.494%0.9477%0.766SS**  trans-68.2-0.8177.4-71.2-174.4176.2-178.6-1112.8V443 R447V443-R445 PolarHBondContact O-N 3.03Å; R445-R447 PolarHBondContact O-N 3.47Å; R445-R447 VanDerWaalsContact O-N 3.07Å
446F61.5Low59Low167 Ų167154.1 Ų154.173%0.73276%0.764SS**  trans-70101.6165.7-69.7-84000109.5S444 I448S444-F446 PolarHBondContact O-N 3.33Å; F446-I448 PolarHBondContact O-N 3.21Å
447R64.1Low60.2Low231 Ų231152.8 Ų152.887%0.87276%0.761SS**  trans-56.295.7154.4-82.517271.5164.92.3107R445 R449R445-R447 PolarHBondContact O-N 3.47Å; R445-R447 VanDerWaalsContact O-N 3.07Å; R447-R449 VanDerWaalsContact C-N 3.27Å; R447-R449 PolarHBondContact O-N 2.75Å
448I70.5Confident61.3Low131 Ų131152 Ų15267%0.67275%0.751SS**  trans-60.699.2168.9-54178000105.5F446 R450F446-I448 PolarHBondContact O-N 3.21Å; I448-R450 HydrophobicContact CG2-CG 3.72Å; I448-R450 PolarHBondContact O-N 2.91Å
449R67.6Low62.6Low223 Ų223145.6 Ų145.684%0.84273%0.726SS**  trans-66.381.3163-77.4-178.8161-171.1-5106R447 T451R447-R449 VanDerWaalsContact C-N 3.27Å; R447-R449 PolarHBondContact O-N 2.75Å; R449-T451 PolarHBondContact O-N 3.45Å; R449-T451 PolarHBondContact O-OG1 3.45Å
450R66.9Low64.2Low216 Ų216141.1 Ų141.182%0.81570%0.698SS**  trans-64.875.5163.1-74.7-169.9175.1175.4-1.2106.8I448 P452I448-R450 HydrophobicContact CG2-CG 3.72Å; I448-R450 PolarHBondContact O-N 2.91Å; R450-P452 WeakPolarHBondContact O-CD 3.48Å
451T66Low65.7Low119 Ų119139.2 Ų139.273%0.7370%0.697SS**  trans-64.8108.8162.6-41.50000104.2R449 A453R449-T451 PolarHBondContact O-N 3.45Å; R449-T451 PolarHBondContact O-OG1 3.45Å; T451-A453 PolarHBondContact O-N 3.49Å
452P64.3Low67.3Low110 Ų110144.1 Ų144.171%0.71471%0.706SS**PPolyproline II helixtrans-58.9141-178.225.4-33.5000108.6R450 R454R450-P452 WeakPolarHBondContact O-CD 3.48Å; P452-R454 PolarHBondContact O-N 3.03Å
453A63.9Low68.4Low95 Ų95136.3 Ų136.379%0.78569%0.685SS**PPolyproline II helixtrans-52.1128.6178.100000109.1T451 P455T451-A453 PolarHBondContact O-N 3.49Å; A453-P455 WeakPolarHBondContact O-CD 3.46Å; A453-P455 VanDerWaalsContact O-N 3.07Å
454R64.2Low69.8Low209 Ų209135.5 Ų135.579%0.78968%0.676SS**PPolyproline II helixtrans-55.4116.9-172.5-173.8177.8-174.6175.20.9108.6P452 Q456P452-R454 PolarHBondContact O-N 3.03Å; R454-Q456 PolarHBondContact O-N 3.02Å
455P61.6Low71Confident95 Ų95136.6 Ų136.662%0.61768%0.681SS**PPolyproline II helixtrans-59.6144-177.523.7-33.2000109.4A453 L457A453-P455 WeakPolarHBondContact O-CD 3.46Å; A453-P455 VanDerWaalsContact O-N 3.07Å; P455-L457 PolarHBondContact O-N 3.33Å
456Q61.7Low71.9Confident146 Ų146130.8 Ų130.868%0.68266%0.659SS**PPolyproline II helixtrans-46.5128.8-172.4-64.9178.7-5.300110.8R454 N458 L459R454-Q456 PolarHBondContact O-N 3.02Å; Q456-N458 PolarHBondContact O-N 2.8Å; Q456-L459 HydrophobicContact CB-CD1 4.2Å; Q456-L459 HydrophobicContact CB-CG 4.19Å; Q456-L459 PolarHBondContact O-N 3.19Å
457L66.3Low72.7Confident118 Ų118128.3 Ų128.362%0.61866%0.66SS**THydrogen-bonded Turntrans-55.1-24.2-166-75.9165.7000114.4P455P455-L457 PolarHBondContact O-N 3.33Å
458N67.4Low73.3Confident125 Ų125124.9 Ų124.967%0.66866%0.657SS**THydrogen-bonded Turntrans-94.22.6-176.9-59.9-27000114Q456 P465 R466Q456-N458 PolarHBondContact O-N 2.8Å; N458-P465 CarbonylContact O-C 3.6Å; N458-R466 WeakPolarHBondContact O-CB 3.49Å; N458-R466 WeakPolarHBondContact O-CG 3.5Å; N458-R466 PolarHBondContact O-N 2.87Å
459L80.6Confident73.4Confident45 Ų45129.3 Ų129.324%0.23667%0.665CS.*BIsolated β-bridgetrans-109.9138.5-179-56-174.8000112.6Q456 G463 L464 P465 R466Q456-L459 HydrophobicContact CB-CD1 4.2Å; Q456-L459 HydrophobicContact CB-CG 4.19Å; Q456-L459 PolarHBondContact O-N 3.19Å; L459-G463 WeakPolarHBondContact CD2-O 3.43Å; L459-L464 CarbonylContact C-O 3.6Å; L459-L464 WeakPolarHBondContact CA-O 3.48Å; L459-P465 HydrophobicContact CD2-CG 4.41Å; L459-R466 VanDerWaalsContact C-NE 3.31Å; L459-R466 VanDerWaalsContact O-CZ 3.25Å; L459-R466 PolarHBondContact O-NE 3.49Å; L459-R466 PolarHBondContact O-NH2 3.27Å
460T83.8Confident73.6Confident41 Ų41124.9 Ų124.925%0.25266%0.657SS.*  trans-61.8164.2167.6600000110.1M462 G463 L464 R466T460-M462 PolarHBondContact O-N 3.41Å; T460-M462 PolarHBondContact OG1-N 3.05Å; T460-G463 PolarHBondContact O-N 2.93Å; T460-L464 WeakPolarHBondContact CG2-O 3.38Å; T460-L464 PolarHBondContact N-O 3.38Å; T460-L464 WeakPolarHBondContact OG1-CB 3.42Å; T460-L464 PolarHBondContact OG1-N 2.97Å; T460-L464 VanDerWaalsContact OG1-N 3.15Å; T460-L464 PolarHBondContact OG1-O 2.85Å; T460-R466 HydrophobicContact CG2-CG 3.9Å
461P82.3Confident73.7Confident128 Ų128120.3 Ų120.383%0.83165%0.649SS**THydrogen-bonded Turntrans-55.6-20171.8-26.236.2000114.3
462M84.7Confident74Confident159 Ų159123.8 Ų123.878%0.78365%0.654SS**THydrogen-bonded Turntrans-89.810.5175.4-61.1-54.6-58.200113.9T460 L464T460-M462 PolarHBondContact O-N 3.41Å; T460-M462 PolarHBondContact OG1-N 3.05Å; M462-L464 PolarHBondContact O-N 3.17Å; M462-L464 VanDerWaalsContact O-N 3.15Å
463G82Confident74.2Confident44 Ų44127.4 Ų127.445%0.45466%0.659SS.*SBendtrans75.4-6.1-179.700000115.5L459 T460L459-G463 WeakPolarHBondContact CD2-O 3.43Å; T460-G463 PolarHBondContact O-N 2.93Å
464L84.8Confident74.4Confident114 Ų114130.1 Ų130.160%0.59766%0.655SS**PPolyproline II helixtrans-75143.8177.5-58.4176.8000111.6L459 T460 M462 R466L459-L464 CarbonylContact C-O 3.6Å; L459-L464 WeakPolarHBondContact CA-O 3.48Å; T460-L464 WeakPolarHBondContact CG2-O 3.38Å; T460-L464 PolarHBondContact N-O 3.38Å; T460-L464 WeakPolarHBondContact OG1-CB 3.42Å; T460-L464 PolarHBondContact OG1-N 2.97Å; T460-L464 VanDerWaalsContact OG1-N 3.15Å; T460-L464 PolarHBondContact OG1-O 2.85Å; M462-L464 PolarHBondContact O-N 3.17Å; M462-L464 VanDerWaalsContact O-N 3.15Å; L464-R466 PolarHBondContact O-N 3.36Å
465P84.8Confident74.5Confident104 Ų104126.3 Ų126.368%0.67565%0.645SS**BIsolated β-bridgetrans-52.3129.1171.9-26.935.4000112.4N458 L459N458-P465 CarbonylContact O-C 3.6Å; L459-P465 HydrophobicContact CD2-CG 4.41Å
466R81Confident75.2Confident127 Ų127124 Ų12448%0.47963%0.631SS.*PPolyproline II helixtrans-68.8135.5171.9-67.3-177.7-172.1-158.21.1108.5N458 L459 T460 L464 I468N458-R466 WeakPolarHBondContact O-CB 3.49Å; N458-R466 WeakPolarHBondContact O-CG 3.5Å; N458-R466 PolarHBondContact O-N 2.87Å; L459-R466 VanDerWaalsContact C-NE 3.31Å; L459-R466 VanDerWaalsContact O-CZ 3.25Å; L459-R466 PolarHBondContact O-NE 3.49Å; L459-R466 PolarHBondContact O-NH2 3.27Å; T460-R466 HydrophobicContact CG2-CG 3.9Å; L464-R466 PolarHBondContact O-N 3.36Å; R466-I468 PolarHBondContact O-N 2.9Å; R466-I468 VanDerWaalsContact O-N 3.17Å
467P78.9Confident76Confident114 Ų114122.3 Ų122.374%0.7463%0.626SS**PPolyproline II helixtrans-53124.3168.7-26.535000110.3R469P467-R469 PolarHBondContact O-N 3.5Å
468I75.7Confident76.4Confident159 Ų159122.7 Ų122.782%0.81562%0.624SS**  trans-64.6109.6-179.3-61173.5000107.8R466 L470R466-I468 PolarHBondContact O-N 2.9Å; R466-I468 VanDerWaalsContact O-N 3.17Å; I468-L470 PolarHBondContact O-N 3.29Å
469R73.5Confident77Confident224 Ų224121.4 Ų121.485%0.84561%0.614SS**  trans-81.4103171.4-75.5-177.3157.6133-1.9107.6P467 N471P467-R469 PolarHBondContact O-N 3.5Å; R469-N471 PolarHBondContact O-N 2.89Å
470L71.6Confident76.7Confident130 Ų130122 Ų12268%0.68162%0.617SS**  trans-50.7129.6169.5-60.8179.9000109.1I468 K472I468-L470 PolarHBondContact O-N 3.29Å; L470-K472 PolarHBondContact O-N 2.92Å
471N68.7Low76Confident121 Ų121127.4 Ų127.465%0.64763%0.634SS**  trans-69.7101.2-179-75.5-49.8000108.6R469 K473 E474R469-N471 PolarHBondContact O-N 2.89Å; N471-K473 PolarHBondContact O-N 2.75Å; N471-E474 PolarHBondContact O-N 2.93Å
472K71.7Confident75.8Confident192 Ų192126.4 Ų126.484%0.83563%0.626SS**THydrogen-bonded Turntrans-61.716.8176.1-55.3-176.2178.8-1750115.2L470 F475L470-K472 PolarHBondContact O-N 2.92Å; K472-F475 VanDerWaalsContact O-CD1 3.26Å; K472-F475 WeakPolarHBondContact O-CD1 3.33Å; K472-F475 WeakPolarHBondContact O-CE1 3.28Å
473K69.3Low75.5Confident185 Ų185122.6 Ų122.680%0.80461%0.609SS**THydrogen-bonded Turntrans-96.6-24.8169.9-167.5-175.5175.9-164.40111.1N471N471-K473 PolarHBondContact O-N 2.75Å
474E67.6Low75.3Confident153 Ų153130.4 Ų130.472%0.71563%0.63SS**SBendtrans-114.286.2173.3-73.2153.1-136.700106.7N471N471-E474 PolarHBondContact O-N 2.93Å
475F65.7Low74.9Confident128 Ų128131.9 Ų131.956%0.56164%0.639SS**  trans-98.6128.9167.926.4-105.3000107.6K472 I480K472-F475 VanDerWaalsContact O-CD1 3.26Å; K472-F475 WeakPolarHBondContact O-CD1 3.33Å; K472-F475 WeakPolarHBondContact O-CE1 3.28Å; F475-I480 HydrophobicContact CB-CD1 4.35Å; F475-I480 HydrophobicContact CB-CG1 4.16Å; F475-I480 HydrophobicContact CD2-CD1 3.76Å; F475-I480 HydrophobicContact CD2-CG1 4.47Å; F475-I480 HydrophobicContact CE2-CD1 4.42Å; F475-I480 HydrophobicContact CG-CD1 4.21Å; F475-I480 HydrophobicContact CG-CG1 4.47Å
476S77.6Confident74.6Confident46 Ų46131.5 Ų131.532%0.32262%0.624SS.*  trans-68.5150.3167121.80000109E478 E479 I480S476-E478 WeakPolarHBondContact CB-OE2 3.25Å; S476-E478 PolarHBondContact O-N 2.92Å; S476-E478 WeakPolarHBondContact OG-CB 3.34Å; S476-E478 PolarHBondContact OG-N 3.15Å; S476-E478 PolarHBondContact OG-OE2 2.99Å; S476-E479 PolarHBondContact N-OE2 2.97Å; S476-E479 WeakPolarHBondContact O-CB 3.21Å; S476-E479 PolarHBondContact O-N 2.98Å; S476-E479 PolarHBondContact OG-N 2.79Å; S476-E479 VanDerWaalsContact OG-N 3.15Å; S476-I480 PolarHBondContact O-N 3.12Å
477L77.6Confident74.3Confident111 Ų111132.6 Ų132.658%0.58164%0.635SS**Hα-helixtrans-61.6-37.5177.3-73.1171.8000110.5E479 I480 Y481L477-E479 VanDerWaalsContact C-N 3.34Å; L477-E479 PolarHBondContact O-N 3.29Å; L477-I480 WeakPolarHBondContact O-CB 3.48Å; L477-I480 PolarHBondContact O-N 3.19Å; L477-Y481 WeakPolarHBondContact O-CD2 3.36Å; L477-Y481 PolarHBondContact O-N 3.34Å
478E75.9Confident74.1Confident126 Ų126130.3 Ų130.359%0.58962%0.622SS**Hα-helixtrans-63.4-38.3177-5466.8-144.600111.2S476 I480 Y481 T482S476-E478 WeakPolarHBondContact CB-OE2 3.25Å; S476-E478 PolarHBondContact O-N 2.92Å; S476-E478 WeakPolarHBondContact OG-CB 3.34Å; S476-E478 PolarHBondContact OG-N 3.15Å; S476-E478 PolarHBondContact OG-OE2 2.99Å; E478-I480 VanDerWaalsContact C-N 3.34Å; E478-I480 PolarHBondContact O-N 2.85Å; E478-Y481 PolarHBondContact O-N 3.15Å; E478-T482 WeakPolarHBondContact O-CB 3.37Å; E478-T482 VanDerWaalsContact O-CG2 3.27Å; E478-T482 WeakPolarHBondContact O-CG2 3.47Å; E478-T482 PolarHBondContact O-N 3.02Å; E478-T482 PolarHBondContact O-OG1 3.29Å
479E78.9Confident73.7Confident98 Ų98126.7 Ų126.746%0.45861%0.609SS.*Hα-helixtrans-64.9-34.8173.5-67.2-179.9144.400112.9S476 L477 T482 N483S476-E479 PolarHBondContact N-OE2 2.97Å; S476-E479 WeakPolarHBondContact O-CB 3.21Å; S476-E479 PolarHBondContact O-N 2.98Å; S476-E479 PolarHBondContact OG-N 2.79Å; S476-E479 VanDerWaalsContact OG-N 3.15Å; L477-E479 VanDerWaalsContact C-N 3.34Å; L477-E479 PolarHBondContact O-N 3.29Å; E479-T482 WeakPolarHBondContact CA-OG1 3.35Å; E479-N483 WeakPolarHBondContact O-CB 3.22Å; E479-N483 PolarHBondContact O-N 2.71Å; E479-N483 VanDerWaalsContact O-N 3.12Å
480I75.3Confident73.6Confident57 Ų57119.8 Ų119.829%0.29259%0.591SS.*Hα-helixtrans-66.9-44.3176.4-61171000110.2F475 S476 L477 E478 N483 Y486F475-I480 HydrophobicContact CB-CD1 4.35Å; F475-I480 HydrophobicContact CB-CG1 4.16Å; F475-I480 HydrophobicContact CD2-CD1 3.76Å; F475-I480 HydrophobicContact CD2-CG1 4.47Å; F475-I480 HydrophobicContact CE2-CD1 4.42Å; F475-I480 HydrophobicContact CG-CD1 4.21Å; F475-I480 HydrophobicContact CG-CG1 4.47Å; S476-I480 PolarHBondContact O-N 3.12Å; L477-I480 WeakPolarHBondContact O-CB 3.48Å; L477-I480 PolarHBondContact O-N 3.19Å; E478-I480 VanDerWaalsContact C-N 3.34Å; E478-I480 PolarHBondContact O-N 2.85Å; I480-N483 WeakPolarHBondContact O-CB 3.4Å; I480-N483 PolarHBondContact O-N 3.33Å; I480-Y486 HydrophobicContact CG2-CD2 4.17Å; I480-Y486 HydrophobicContact CG2-CE2 4.44Å; I480-Y486 WeakPolarHBondContact O-CB 3.42Å
481Y69.1Low73.2Confident155 Ų155120.6 Ų120.661%0.60860%0.602SS**Hα-helixtrans-81-20.7-178-66.2-61.7000114.4L477 E478 Y486L477-Y481 WeakPolarHBondContact O-CD2 3.36Å; L477-Y481 PolarHBondContact O-N 3.34Å; E478-Y481 PolarHBondContact O-N 3.15Å; Y481-Y486 HydrophobicContact CD1-CD1 4.38Å; Y481-Y486 AromaticContact CD1-CE1 3.97Å; Y481-Y486 HydrophobicContact CD1-CE1 3.97Å; Y481-Y486 HydrophobicContact CE1-CE1 4.13Å
482T77.9Confident72.9Confident107 Ų107125.9 Ų125.966%0.65661%0.613SS**Hα-helixtrans-89-7.8171.255.90000113.5E478 E479 K484E478-T482 WeakPolarHBondContact O-CB 3.37Å; E478-T482 VanDerWaalsContact O-CG2 3.27Å; E478-T482 WeakPolarHBondContact O-CG2 3.47Å; E478-T482 PolarHBondContact O-N 3.02Å; E478-T482 PolarHBondContact O-OG1 3.29Å; E479-T482 WeakPolarHBondContact CA-OG1 3.35Å; T482-K484 PolarHBondContact O-N 2.97Å
483N77.6Confident72.8Confident80 Ų80126 Ų12643%0.42861%0.608SS.*  trans-63.9117176.2-172.6-18.3000110.8E479 I480 N485 Y486E479-N483 WeakPolarHBondContact O-CB 3.22Å; E479-N483 PolarHBondContact O-N 2.71Å; E479-N483 VanDerWaalsContact O-N 3.12Å; I480-N483 WeakPolarHBondContact O-CB 3.4Å; I480-N483 PolarHBondContact O-N 3.33Å; N483-N485 PolarHBondContact O-N 3.29Å; N483-N485 WeakPolarHBondContact OD1-CB 3.46Å; N483-N485 PolarHBondContact OD1-N 2.82Å; N483-N485 PolarHBondContact OD1-ND2 2.82Å; N483-N485 VanDerWaalsContact OD1-ND2 3.12Å; N483-Y486 WeakPolarHBondContact O-CB 3.27Å; N483-Y486 PolarHBondContact O-N 2.92Å
484K79.1Confident72.3Confident208 Ų208121.9 Ų121.990%0.90460%0.598SS**THydrogen-bonded Turntrans-60.4-13.3179.1-61-179.7-178.81780114.4T482T482-K484 PolarHBondContact O-N 2.97Å
485N75.1Confident71.7Confident145 Ų145122.7 Ų122.778%0.77560%0.6SS**THydrogen-bonded Turntrans-99.1-3.6175-51.7-75.2000113.2N483 Q487N483-N485 PolarHBondContact O-N 3.29Å; N483-N485 WeakPolarHBondContact OD1-CB 3.46Å; N483-N485 PolarHBondContact OD1-N 2.82Å; N483-N485 PolarHBondContact OD1-ND2 2.82Å; N483-N485 VanDerWaalsContact OD1-ND2 3.12Å; N485-Q487 PolarHBondContact O-N 3.34Å
486Y77.8Confident71.2Confident95 Ų95124.7 Ų124.737%0.37361%0.611SS.*  trans-75114.4173.6178.4-95.9000109.4I480 Y481 N483 S488I480-Y486 HydrophobicContact CG2-CD2 4.17Å; I480-Y486 HydrophobicContact CG2-CE2 4.44Å; I480-Y486 WeakPolarHBondContact O-CB 3.42Å; Y481-Y486 HydrophobicContact CD1-CD1 4.38Å; Y481-Y486 AromaticContact CD1-CE1 3.97Å; Y481-Y486 HydrophobicContact CD1-CE1 3.97Å; Y481-Y486 HydrophobicContact CE1-CE1 4.13Å; N483-Y486 WeakPolarHBondContact O-CB 3.27Å; N483-Y486 PolarHBondContact O-N 2.92Å; Y486-S488 VanDerWaalsContact CE1-OG 3.28Å; Y486-S488 WeakPolarHBondContact CE1-OG 3.33Å; Y486-S488 PolarHBondContact OH-OG 3.46Å
487Q75.9Confident70.2Confident151 Ų151127.4 Ų127.471%0.70663%0.625SS**  trans-120.8110.7170.7-175.768.831.200107.5N485 P489N485-Q487 PolarHBondContact O-N 3.34Å; Q487-P489 WeakPolarHBondContact O-CD 3.11Å; Q487-P489 VanDerWaalsContact O-N 3.14Å
488S74.4Confident69.3Low66 Ų66128 Ų12846%0.46263%0.628SS.*  trans-49121.9171.9-65.30000109.5Y486 T490Y486-S488 VanDerWaalsContact CE1-OG 3.28Å; Y486-S488 WeakPolarHBondContact CE1-OG 3.33Å; Y486-S488 PolarHBondContact OH-OG 3.46Å; S488-T490 PolarHBondContact O-N 2.94Å
489P67.8Low68Low83 Ų83130.2 Ų130.254%0.53964%0.636SS.*  trans-56115.4-179.5-26.835.1000109.8Q487 F495Q487-P489 WeakPolarHBondContact O-CD 3.11Å; Q487-P489 VanDerWaalsContact O-N 3.14Å; P489-F495 HydrophobicContact CB-CZ 4.39Å; P489-F495 HydrophobicContact CG-CZ 4.38Å
490T71.4Confident67Low78 Ų78128.2 Ų128.248%0.47963%0.627SS.*  trans-66.9141.6-176.558.60000109.4S488 R492 R493S488-T490 PolarHBondContact O-N 2.94Å; T490-R492 PolarHBondContact O-N 3.03Å; T490-R493 PolarHBondContact O-N 3.45Å
491T62.3Low66.3Low147 Ų147133.8 Ų133.890%0.90265%0.651SS**THydrogen-bonded Turntrans-60.3-7.7-177.846.10000114.7
492R61.9Low66.1Low233 Ų233129.2 Ų129.288%0.87964%0.641SS**THydrogen-bonded Turntrans-90.9-14.9172-64-173.6174.5-151.4-3.1113.9T490 T494T490-R492 PolarHBondContact O-N 3.03Å; R492-T494 PolarHBondContact O-N 3.03Å
493R69.6Low65.4Low195 Ų195132 Ų13274%0.73664%0.639SS**  trans-9766.6177-167.2177.2-173.9148.23.5109.8T490 F495T490-R493 PolarHBondContact O-N 3.45Å; R493-F495 PolarHBondContact O-N 3.29Å
494T59.2Low65.4Low97 Ų97134.8 Ų134.860%0.59565%0.65SS**  trans-57.2127.6169.150.10000109.7R492 E496R492-T494 PolarHBondContact O-N 3.03Å; T494-E496 PolarHBondContact O-N 3.49Å
495F54.9Low65Low170 Ų170133.2 Ų133.275%0.74664%0.638SS**  trans-61.6124.1175.5-67.1-83.5000110.5P489 R493 T497P489-F495 HydrophobicContact CB-CZ 4.39Å; P489-F495 HydrophobicContact CG-CZ 4.38Å; R493-F495 PolarHBondContact O-N 3.29Å; F495-T497 PolarHBondContact O-N 3.17Å
496E55Low65Low171 Ų171133.6 Ų133.680%0.79964%0.64SS**  trans-70.9112172.5-69.2171.8175.700107.9T494 I498T494-E496 PolarHBondContact O-N 3.49Å; E496-I498 PolarHBondContact O-N 2.93Å
497T57Low65.1Low102 Ų102132 Ų13263%0.62665%0.653SS**  trans-83.9115.4-173.510.90000109.9F495 F499F495-T497 PolarHBondContact O-N 3.17Å; T497-F499 PolarHBondContact O-N 3.49Å
498I59.5Low64.9Low124 Ų124129.1 Ų129.164%0.63665%0.646SS**SBendtrans-72.825.5-169.4-28.5177.1000113.8E496E496-I498 PolarHBondContact O-N 2.93Å
499F47.8Very low64.9Low172 Ų172130.5 Ų130.575%0.75465%0.647SS**  trans-130.570.4180-61-64.4000109.8T497 R519T497-F499 PolarHBondContact O-N 3.49Å; F499-R519 PolarHBondContact O-NH1 3.24Å; F499-R519 PolarHBondContact O-NH2 3.18Å
500E58.2Low65Low57 Ų57129.7 Ų129.727%0.26664%0.638SS.*SBendtrans-101.1141.2154.1-165.7173171.500106.7S513E500-S513 VanDerWaalsContact CD-OG 3.26Å; E500-S513 WeakPolarHBondContact OE1-CB 3.3Å; E500-S513 PolarHBondContact OE1-OG 3.12Å; E500-S513 VanDerWaalsContact OE1-OG 3.12Å; E500-S513 WeakPolarHBondContact OE2-CA 3.15Å; E500-S513 WeakPolarHBondContact OE2-CB 3.49Å; E500-S513 PolarHBondContact OE2-N 3.22Å; E500-S513 PolarHBondContact OE2-OG 3Å
501E61.6Low64.6Low174 Ų174131.5 Ų131.581%0.81364%0.639SS**  trans-60.1136174.3-70.7177.9137.400109.1R503E501-R503 WeakPolarHBondContact O-CG 3.3Å; E501-R503 PolarHBondContact O-N 3.19Å
502P62.9Low64.6Low59 Ų59129.1 Ų129.138%0.38362%0.624SS.*  trans-60.3111-175.921.3-31.2000110.6L509 F511P502-L509 HydrophobicContact CB-CB 4.11Å; P502-L509 HydrophobicContact CB-CD2 4.23Å; P502-F511 HydrophobicContact CB-CD1 3.68Å; P502-F511 HydrophobicContact CB-CD2 4.43Å; P502-F511 HydrophobicContact CB-CE1 3.54Å; P502-F511 HydrophobicContact CB-CE2 4.29Å; P502-F511 HydrophobicContact CB-CG 4.14Å; P502-F511 HydrophobicContact CB-CZ 3.85Å; P502-F511 HydrophobicContact CG-CD1 4.13Å; P502-F511 HydrophobicContact CG-CE1 3.72Å; P502-F511 HydrophobicContact CG-CZ 4.28Å
503R63.9Low64.4Low165 Ų165120 Ų12062%0.62360%0.597SS**EExtended strand (participates in β ladder)trans-88.9123.4176.2-53.5-168.284-139.23.8108E501 R505 I510E501-R503 WeakPolarHBondContact O-CG 3.3Å; E501-R503 PolarHBondContact O-N 3.19Å; R503-R505 PolarHBondContact O-N 2.7Å; R503-I510 PolarHBondContact N-O 3.49Å; R503-I510 PolarHBondContact O-N 3.5Å
504E77.3Confident64Low138 Ų138116.7 Ų116.765%0.64560%0.603SS**EExtended strand (participates in β ladder)trans-71.7129.1175-163.7179.715600110.2G507 L509E504-G507 VanDerWaalsContact OE1-CA 3.29Å; E504-G507 WeakPolarHBondContact OE1-CA 3.41Å; E504-L509 HydrophobicContact CB-CD2 4.1Å; E504-L509 HydrophobicContact CG-CD2 4.42Å
505R72.3Confident64.3Low176 Ų176120.8 Ų120.866%0.66461%0.608SS**EExtended strand (participates in β ladder)trans-136.2122.3169-169.4-177.1-176.1-163.91.2108R503 G507 T508 I510R503-R505 PolarHBondContact O-N 2.7Å; R505-G507 PolarHBondContact O-N 2.87Å; R505-T508 PolarHBondContact N-O 3.18Å; R505-T508 PolarHBondContact O-N 3.39Å; R505-I510 HydrophobicContact CB-CD1 3.77Å; R505-I510 HydrophobicContact CB-CG1 4.46Å
506N73.4Confident64.5Low152 Ų152120.9 Ų120.981%0.81361%0.608SS**THydrogen-bonded Turntrans5548179.5-49.2-5.3000112.7T508N506-T508 PolarHBondContact O-N 3.35Å; N506-T508 VanDerWaalsContact O-N 3.16Å
507G79.9Confident64.9Low63 Ų63118.5 Ų118.565%0.64960%0.6SS**THydrogen-bonded Turntrans731.1179.500000115.5E504 R505E504-G507 VanDerWaalsContact OE1-CA 3.29Å; E504-G507 WeakPolarHBondContact OE1-CA 3.41Å; R505-G507 PolarHBondContact O-N 2.87Å
508T72.9Confident65.2Low90 Ų90125.5 Ų125.555%0.55262%0.615SS**EExtended strand (participates in β ladder)trans-117.6128.3-178.1-54.50000110.4R505 N506 I510R505-T508 PolarHBondContact N-O 3.18Å; R505-T508 PolarHBondContact O-N 3.39Å; N506-T508 PolarHBondContact O-N 3.35Å; N506-T508 VanDerWaalsContact O-N 3.16Å; T508-I510 PolarHBondContact O-N 3.17Å
509L74.6Confident65.3Low94 Ų94126.7 Ų126.749%0.49261%0.611SS.*EExtended strand (participates in β ladder)trans-72.8114.2174.9-66.6174.2000110.5P502 E504 F511P502-L509 HydrophobicContact CB-CB 4.11Å; P502-L509 HydrophobicContact CB-CD2 4.23Å; E504-L509 HydrophobicContact CB-CD2 4.1Å; E504-L509 HydrophobicContact CG-CD2 4.42Å; L509-F511 HydrophobicContact CB-CE2 3.84Å; L509-F511 HydrophobicContact CB-CZ 4.22Å; L509-F511 WeakPolarHBondContact O-CD2 3.44Å
510I70.3Confident66.2Low66 Ų66123.3 Ų123.334%0.33862%0.616SS.*EExtended strand (participates in β ladder)trans-100.7110.6177.8-58.1-176.7000109.1R503 R505 T508 T512R503-I510 PolarHBondContact N-O 3.49Å; R503-I510 PolarHBondContact O-N 3.5Å; R505-I510 HydrophobicContact CB-CD1 3.77Å; R505-I510 HydrophobicContact CB-CG1 4.46Å; T508-I510 PolarHBondContact O-N 3.17Å; I510-T512 VanDerWaalsContact C-N 3.3Å; I510-T512 VanDerWaalsContact CG2-O 3.28Å; I510-T512 WeakPolarHBondContact CG2-O 3.38Å; I510-T512 PolarHBondContact O-N 3.09Å
511F62.8Low66.7Low117 Ų117125.2 Ų125.251%0.51363%0.631SS.*SBendtrans-84.10.2-179.2-63.7-95.7000114P502 L509P502-F511 HydrophobicContact CB-CD1 3.68Å; P502-F511 HydrophobicContact CB-CD2 4.43Å; P502-F511 HydrophobicContact CB-CE1 3.54Å; P502-F511 HydrophobicContact CB-CE2 4.29Å; P502-F511 HydrophobicContact CB-CG 4.14Å; P502-F511 HydrophobicContact CB-CZ 3.85Å; P502-F511 HydrophobicContact CG-CD1 4.13Å; P502-F511 HydrophobicContact CG-CE1 3.72Å; P502-F511 HydrophobicContact CG-CZ 4.28Å; L509-F511 HydrophobicContact CB-CE2 3.84Å; L509-F511 HydrophobicContact CB-CZ 4.22Å; L509-F511 WeakPolarHBondContact O-CD2 3.44Å
512T60.6Low67.2Low96 Ų96125.1 Ų125.159%0.58963%0.631SS**  trans-141.4102.4-176.255.80000110.1I510I510-T512 VanDerWaalsContact C-N 3.3Å; I510-T512 VanDerWaalsContact CG2-O 3.28Å; I510-T512 WeakPolarHBondContact CG2-O 3.38Å; I510-T512 PolarHBondContact O-N 3.09Å
513S58.9Low67.5Low43 Ų43130.4 Ų130.430%0.30165%0.648SS.*  trans-76.9146.3164.584.30000110.2E500 R515E500-S513 VanDerWaalsContact CD-OG 3.26Å; E500-S513 WeakPolarHBondContact OE1-CB 3.3Å; E500-S513 PolarHBondContact OE1-OG 3.12Å; E500-S513 VanDerWaalsContact OE1-OG 3.12Å; E500-S513 WeakPolarHBondContact OE2-CA 3.15Å; E500-S513 WeakPolarHBondContact OE2-CB 3.49Å; E500-S513 PolarHBondContact OE2-N 3.22Å; E500-S513 PolarHBondContact OE2-OG 3Å; S513-R515 PolarHBondContact O-N 3.38Å; S513-R515 PolarHBondContact OG-N 3.36Å
514S61.7Low68.1Low125 Ų125133 Ų13387%0.87466%0.657SS**SBendtrans-78.35.917053.50000112.9
515R64Low67.9Low182 Ų182132 Ų13269%0.68766%0.656SS**  trans-89.5116.4-176.4-62.6-175.477.3-163.35.7109.7S513 L517S513-R515 PolarHBondContact O-N 3.38Å; S513-R515 PolarHBondContact OG-N 3.36Å; R515-L517 VanDerWaalsContact C-N 3.34Å; R515-L517 HydrophobicContact CB-CD1 4Å; R515-L517 PolarHBondContact O-N 2.78Å
516K60.6Low67.4Low173 Ų173129.8 Ų129.875%0.75267%0.668SS**  trans-72.783.1176.4-63.7-177.6179.8-177.70111.2
517L63.5Low67.2Low121 Ų121127.3 Ų127.363%0.63466%0.663SS**  trans-78.5133.6164.3-83.185.9000110.1R515 R519R515-L517 VanDerWaalsContact C-N 3.34Å; R515-L517 HydrophobicContact CB-CD1 4Å; R515-L517 PolarHBondContact O-N 2.78Å; L517-R519 PolarHBondContact O-N 2.88Å
518R62Low66.8Low249 Ų249130.4 Ų130.494%0.9466%0.664SS**  trans-83112.3166.4-55.7-171.881.2-167.33.6107.4
519R62.3Low66.4Low148 Ų148132 Ų13256%0.55868%0.675SS**  trans-104.1139.6167.6-71.6-173.2-77.4176.5-4.6108.9F499 L517F499-R519 PolarHBondContact O-NH1 3.24Å; F499-R519 PolarHBondContact O-NH2 3.18Å; L517-R519 PolarHBondContact O-N 2.88Å
520A66.3Low66.3Low102 Ų102138.6 Ų138.684%0.84369%0.694SS**  trans-66.5130.5163.400000107.8
521V69.7Low66.2Low97 Ų97140.6 Ų140.659%0.58871%0.714SS**  trans-96.4100.5169.9179.70000106.1F523V521-F523 HydrophobicContact CB-CE2 4.02Å; V521-F523 HydrophobicContact CB-CZ 4.21Å; V521-F523 HydrophobicContact CG1-CD1 4.33Å; V521-F523 HydrophobicContact CG1-CD2 4.19Å; V521-F523 HydrophobicContact CG1-CE1 3.9Å; V521-F523 HydrophobicContact CG1-CE2 3.73Å; V521-F523 HydrophobicContact CG1-CG 4.47Å; V521-F523 HydrophobicContact CG1-CZ 3.58Å; V521-F523 WeakPolarHBondContact O-CD2 3.5Å; V521-F523 PolarHBondContact O-N 2.65Å
522E71.4Confident66.6Low172 Ų172146 Ų14680%0.80473%0.731SS**  trans-74.5107.6171.5-169-174.216100108.3R524E522-R524 PolarHBondContact O-N 3.21Å
523F69.8Low67.1Low169 Ų169152.6 Ų152.674%0.74175%0.745SS**  trans-81.8114.4170.9-63.9-85.1000107.5V521V521-F523 HydrophobicContact CB-CE2 4.02Å; V521-F523 HydrophobicContact CB-CZ 4.21Å; V521-F523 HydrophobicContact CG1-CD1 4.33Å; V521-F523 HydrophobicContact CG1-CD2 4.19Å; V521-F523 HydrophobicContact CG1-CE1 3.9Å; V521-F523 HydrophobicContact CG1-CE2 3.73Å; V521-F523 HydrophobicContact CG1-CG 4.47Å; V521-F523 HydrophobicContact CG1-CZ 3.58Å; V521-F523 WeakPolarHBondContact O-CD2 3.5Å; V521-F523 PolarHBondContact O-N 2.65Å
524R75.8Confident67.2Low219 Ų219156.5 Ų156.583%0.82677%0.769SS**  trans-65.6137.7168.8-74.9-168.4169.7-149.6-5.2109.7E522 S526E522-R524 PolarHBondContact O-N 3.21Å; R524-S526 PolarHBondContact O-N 3.44Å
525D72.7Confident67.1Low117 Ų117156 Ų15663%0.62677%0.766SS**  trans-55.6122.7176.2-62.1-40.6000110.6S527 L528D525-S527 PolarHBondContact O-N 3.2Å; D525-S527 VanDerWaalsContact O-N 3.13Å; D525-L528 PolarHBondContact O-N 3.15Å; D525-L528 VanDerWaalsContact O-N 3.13Å
526S63.3Low67.1Low130 Ų130159.7 Ų159.791%0.90978%0.78SS**THydrogen-bonded Turntrans-70.8-4.6-175.249.70000113.9R524 L528R524-S526 PolarHBondContact O-N 3.44Å; S526-L528 VanDerWaalsContact C-N 3.3Å
527S68Low66.7Low101 Ų101154.4 Ų154.471%0.70677%0.774SS**THydrogen-bonded Turntrans-70-23.9169.151.80000112.9D525D525-S527 PolarHBondContact O-N 3.2Å; D525-S527 VanDerWaalsContact O-N 3.13Å
528L71.2Confident65.9Low127 Ų127155.3 Ų155.367%0.66579%0.785SS**SBendtrans-91.9130.8-178-63.3179.9000111.8D525 S526 R530D525-L528 PolarHBondContact O-N 3.15Å; D525-L528 VanDerWaalsContact O-N 3.13Å; S526-L528 VanDerWaalsContact C-N 3.3Å; L528-R530 PolarHBondContact O-N 2.55Å
529P65.3Low65.3Low123 Ų123155.2 Ų155.280%0.79978%0.784SS**  trans-63.2130.2-179.825.2-33.4000111S531P529-S531 PolarHBondContact O-N 3.2Å
530R72.3Confident64.5Low233 Ų233152.7 Ų152.788%0.87980%0.795SS**  trans-63.9110.8179-174.6-176.5-176.196.8-1.2110.2L528 R532L528-R530 PolarHBondContact O-N 2.55Å; R530-R532 PolarHBondContact O-N 3.01Å
531S67.4Low63.5Low108 Ų108152.5 Ų152.576%0.75579%0.793SS**PPolyproline II helixtrans-49.3125173178.30000110.9P529 R533P529-S531 PolarHBondContact O-N 3.2Å; S531-R533 PolarHBondContact O-N 3.46Å
532R71.3Confident62.7Low230 Ų230152 Ų15287%0.86881%0.809SS**PPolyproline II helixtrans-77.3121.7-176.4-63.6179.971.3-172.62.4108.4R530R530-R532 PolarHBondContact O-N 3.01Å
533R71Confident61.2Low236 Ų236147.2 Ų147.289%0.89181%0.805SS**PPolyproline II helixtrans-57.6138.1166.7-84-170.8175.1-170-2109.2S531 S535S531-R533 PolarHBondContact O-N 3.46Å; R533-S535 PolarHBondContact O-N 3.42Å
534P61.7Low60.1Low125 Ų125150.3 Ų150.381%0.81281%0.812SS**PPolyproline II helixtrans-59.3126.5171.524.1-32.2000109.4R536P534-R536 PolarHBondContact O-N 3.22Å
535S59.4Low58.7Low115 Ų115146.9 Ų146.980%0.80482%0.815SS**  trans-73.495.3-179.7-172.80000109.9R533 G537R533-S535 PolarHBondContact O-N 3.42Å; S535-G537 VanDerWaalsContact C-N 3.31Å; S535-G537 PolarHBondContact O-N 2.87Å
536R63.4Low57.6Low258 Ų258146.8 Ų146.897%0.97482%0.818SS**  trans-72.485.1173.3-163.3-177.4-161-142.56.6108.9P534P534-R536 PolarHBondContact O-N 3.22Å
537G53Low56.8Low62 Ų62145.4 Ų145.464%0.63981%0.807SS**  trans-169.318.2-167.400000119.2S535S535-G537 VanDerWaalsContact C-N 3.31Å; S535-G537 PolarHBondContact O-N 2.87Å
538V47.4Very low55.5Low141 Ų141146.4 Ų146.486%0.85581%0.811SS**  trans-104.9115.9162-178.70000108A540V538-A540 PolarHBondContact O-N 3.41Å; V538-A540 VanDerWaalsContact O-N 3.15Å
539R49.1Very low54.2Low246 Ų246148.4 Ų148.493%0.92882%0.816SS**  trans-73.2102.7170.9-80.1-175.1-81.3-134.4-2.7108A541R539-A541 PolarHBondContact O-N 3.07Å
540A45.8Very low53.3Low96 Ų96148.5 Ų148.579%0.79381%0.814SS**  trans-62.8114.5166.200000108.5V538V538-A540 PolarHBondContact O-N 3.41Å; V538-A540 VanDerWaalsContact O-N 3.15Å
541A44.2Very low52.3Low97 Ų97140.2 Ų140.280%0.80280%0.795SS**  trans-65.7140.3164.900000108.4R539 G543R539-A541 PolarHBondContact O-N 3.07Å; A541-G543 PolarHBondContact O-N 3.46Å
542G53.5Low51.7Low88 Ų88140.9 Ų140.991%0.90780%0.797SS**  trans-62.2131.8-170.100000113.2
543G40.5Very low51.2Low70 Ų70134.3 Ų134.372%0.72279%0.787SS**  trans-159.7100.6175.400000111.1A541A541-G543 PolarHBondContact O-N 3.46Å
544R45.3Very low51.2Low235 Ų235128.1 Ų128.189%0.88778%0.777SS**  trans46.6116167.3-74.9177.1138.5-149.7-5118.6V546R544-V546 PolarHBondContact O-N 3.27Å
545T46.4Very low51.7Low146 Ų146127.7 Ų127.790%0.89677%0.768SS**  trans-56.7118155.1-41.10000109.9
546V50.1Low52.9Low115 Ų115126.2 Ų126.270%0.69775%0.754SS**  trans-112.6131.7166.9178.40000106.4R544R544-V546 PolarHBondContact O-N 3.27Å
547P45.8Very low54.2Low102 Ų102115.7 Ų115.766%0.66273%0.725SS**  trans-65.8149.3-179.528-35.1000111H549P547-H549 VanDerWaalsContact C-N 3.26Å; P547-H549 PolarHBondContact O-N 3.03Å
548P41.9Very low56Low122 Ų122116.5 Ų116.579%0.79272%0.719SS**  trans-77.674.4-178.533.6-36000111.2V550P548-V550 PolarHBondContact O-N 2.88Å; P548-V550 VanDerWaalsContact O-N 3.16Å
549H43.4Very low58Low169 Ų169114.5 Ų114.578%0.78270%0.704SS**  trans-82.873.9157.6-168.9-77.5000108.7P547 A551P547-H549 VanDerWaalsContact C-N 3.26Å; P547-H549 PolarHBondContact O-N 3.03Å; H549-A551 VanDerWaalsContact C-N 3.3Å; H549-A551 PolarHBondContact O-N 3.33Å
550V46.1Very low59.9Low125 Ų125108.1 Ų108.176%0.75869%0.687SS**  trans-70.895.1165.6178.70000106.4P548P548-V550 PolarHBondContact O-N 2.88Å; P548-V550 VanDerWaalsContact O-N 3.16Å
551A51.6Low62.2Low58 Ų58110.3 Ų110.348%0.47968%0.681SS.*PPolyproline II helixtrans-56.2137.1158.300000107.3H549 S553H549-A551 VanDerWaalsContact C-N 3.3Å; H549-A551 PolarHBondContact O-N 3.33Å; A551-S553 PolarHBondContact O-N 3.15Å; A551-S553 VanDerWaalsContact O-N 3.08Å
552P54Low64.5Low122 Ų122110.6 Ų110.679%0.79267%0.666SS**PPolyproline II helixtrans-56.2122.4177.423.7-32.4000108.2
553S62.3Low66.4Low93 Ų93114 Ų11465%0.6565%0.651SS**PPolyproline II helixtrans-54.5136.8172.348.50000108.3A551 D555A551-S553 PolarHBondContact O-N 3.15Å; A551-S553 VanDerWaalsContact O-N 3.08Å; S553-D555 PolarHBondContact O-N 3.38Å
554P69.3Low69.1Low106 Ų106116 Ų11669%0.68865%0.645SS**PPolyproline II helixtrans-53.1130.4174.624.3-33.7000108V556P554-V556 WeakPolarHBondContact O-CG2 3.12Å; P554-V556 PolarHBondContact O-N 3.46Å
555D74Confident71.3Confident116 Ų116111.3 Ų111.362%0.6263%0.633SS**  trans-59.2115.1-175.1-171.2-4.5000108.7S553 G557 P558S553-D555 PolarHBondContact O-N 3.38Å; D555-G557 PolarHBondContact OD1-N 3.35Å; D555-P558 HydrophobicContact CB-CG 4.34Å; D555-P558 WeakPolarHBondContact O-CD 3.32Å; D555-P558 WeakPolarHBondContact OD1-CD 3.42Å
556V84.4Confident73.6Confident84 Ų84107.5 Ų107.551%0.50961%0.605SS.*Hα-helixtrans-79.7-16.9-175.7-149.60000110.2P554 L559 L560P554-V556 WeakPolarHBondContact O-CG2 3.12Å; P554-V556 PolarHBondContact O-N 3.46Å; V556-L559 PolarHBondContact O-N 2.96Å; V556-L560 HydrophobicContact CG1-CD1 4.16Å; V556-L560 HydrophobicContact CG1-CG 4.25Å; V556-L560 WeakPolarHBondContact O-CB 3.44Å; V556-L560 VanDerWaalsContact O-CG 3.27Å; V556-L560 WeakPolarHBondContact O-CG 3.3Å; V556-L560 PolarHBondContact O-N 3.47Å
557G89.6Confident75.7Confident36 Ų36107.4 Ų107.437%0.37160%0.6SS.*Hα-helixtrans-56.7-59.117800000112.6D555 L559 L560 Q561D555-G557 PolarHBondContact OD1-N 3.35Å; G557-L559 VanDerWaalsContact C-N 3.29Å; G557-L559 PolarHBondContact O-N 3.17Å; G557-L560 PolarHBondContact O-N 2.9Å; G557-L560 VanDerWaalsContact O-N 3.13Å; G557-Q561 WeakPolarHBondContact O-CB 3.47Å; G557-Q561 PolarHBondContact O-N 3.21Å
558P90.7Very high77.9Confident79 Ų79107 Ų10751%0.51359%0.592SS.*Hα-helixtrans-54.3-40.3177.3-28.935.2000114.2D555 Q561 Q562D555-P558 HydrophobicContact CB-CG 4.34Å; D555-P558 WeakPolarHBondContact O-CD 3.32Å; D555-P558 WeakPolarHBondContact OD1-CD 3.42Å; P558-Q561 PolarHBondContact O-N 3.08Å; P558-Q562 WeakPolarHBondContact O-CB 3.28Å; P558-Q562 PolarHBondContact O-N 3.13Å
559L89.1Confident80.3Confident100 Ų100104 Ų10452%0.52458%0.577SS.*Hα-helixtrans-70-35.4179-67.1173.4000112.6V556 G557 R563V556-L559 PolarHBondContact O-N 2.96Å; G557-L559 VanDerWaalsContact C-N 3.29Å; G557-L559 PolarHBondContact O-N 3.17Å; L559-R563 WeakPolarHBondContact O-CB 3.36Å; L559-R563 VanDerWaalsContact O-CG 3.28Å; L559-R563 WeakPolarHBondContact O-CG 3.3Å; L559-R563 PolarHBondContact O-N 3.46Å; L559-R563 VanDerWaalsContact O-N 3.15Å
560L90.7Very high82.3Confident111 Ų111100.7 Ų100.758%0.58157%0.565SS**Hα-helixtrans-73.7-36174.2-71170.1000111.8V556 G557 R563 L564V556-L560 HydrophobicContact CG1-CD1 4.16Å; V556-L560 HydrophobicContact CG1-CG 4.25Å; V556-L560 WeakPolarHBondContact O-CB 3.44Å; V556-L560 VanDerWaalsContact O-CG 3.27Å; V556-L560 WeakPolarHBondContact O-CG 3.3Å; V556-L560 PolarHBondContact O-N 3.47Å; G557-L560 PolarHBondContact O-N 2.9Å; G557-L560 VanDerWaalsContact O-N 3.13Å; L560-R563 PolarHBondContact O-N 3.34Å; L560-L564 PolarHBondContact O-N 3.13Å
561Q92.3Very high84.2Confident143 Ų14399.6 Ų99.667%0.66855%0.554SS**Hα-helixtrans-61.4-52.1174.1-172107.515.600110.5G557 P558 R563 L564 E565G557-Q561 WeakPolarHBondContact O-CB 3.47Å; G557-Q561 PolarHBondContact O-N 3.21Å; P558-Q561 PolarHBondContact O-N 3.08Å; Q561-R563 VanDerWaalsContact C-N 3.29Å; Q561-R563 PolarHBondContact O-N 2.69Å; Q561-L564 WeakPolarHBondContact O-CB 3.19Å; Q561-L564 PolarHBondContact O-N 3.27Å; Q561-E565 PolarHBondContact O-N 3.46Å
562Q93.9Very high85.6Confident103 Ų103102.1 Ų102.148%0.48156%0.559SS.*Hα-helixtrans-56.9-42.4175.9-175.4-170.9-28.400111.5P558 L564 E565 E566P558-Q562 WeakPolarHBondContact O-CB 3.28Å; P558-Q562 PolarHBondContact O-N 3.13Å; Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.61Å; Q562-E565 PolarHBondContact O-N 3.29Å; Q562-E566 PolarHBondContact NE2-OE1 2.78Å; Q562-E566 WeakPolarHBondContact O-CB 3.29Å; Q562-E566 WeakPolarHBondContact O-CG 3.49Å; Q562-E566 PolarHBondContact O-N 3.34Å
563R94Very high86.7Confident160 Ų160102 Ų10260%0.60455%0.548SS*.Hα-helixtrans-69.7-24.5177.6-73.9-64.5-173.5-175.11.2114.2L559 L560 Q561 E566 L567L559-R563 WeakPolarHBondContact O-CB 3.36Å; L559-R563 VanDerWaalsContact O-CG 3.28Å; L559-R563 WeakPolarHBondContact O-CG 3.3Å; L559-R563 PolarHBondContact O-N 3.46Å; L559-R563 VanDerWaalsContact O-N 3.15Å; L560-R563 PolarHBondContact O-N 3.34Å; Q561-R563 VanDerWaalsContact C-N 3.29Å; Q561-R563 PolarHBondContact O-N 2.69Å; R563-E566 VanDerWaalsContact CD-OE2 3.26Å; R563-E566 WeakPolarHBondContact CD-OE2 3.15Å; R563-E566 IonicContact CZ-OE2 2.63Å; R563-E566 IonicContact NE-OE2 3.77Å; R563-E566 IonicContact NH1-OE2 3.6Å; R563-E566 PolarHBondContact NH1-OE2 3.24Å; R563-L567 WeakPolarHBondContact O-CD1 3.17Å; R563-L567 VanDerWaalsContact O-CG 3.28Å; R563-L567 WeakPolarHBondContact O-CG 3.18Å; R563-L567 PolarHBondContact O-N 3.43Å
564L95.4Very high87.2Confident112 Ų112103.9 Ų103.959%0.58655%0.546SS*.Hα-helixtrans-71-48.3170-125.878.1000110.1L560 Q561 Q562 E566 L567 D568L560-L564 PolarHBondContact O-N 3.13Å; Q561-L564 WeakPolarHBondContact O-CB 3.19Å; Q561-L564 PolarHBondContact O-N 3.27Å; Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.61Å; L564-E566 VanDerWaalsContact C-N 3.34Å; L564-E566 PolarHBondContact O-N 3.41Å; L564-L567 CarbonylContact O-C 3.58Å; L564-L567 WeakPolarHBondContact O-CA 3.39Å; L564-L567 WeakPolarHBondContact O-CB 3.39Å; L564-L567 PolarHBondContact O-N 3.02Å; L564-D568 PolarHBondContact O-N 3.28Å
565E92.9Very high87.2Confident135 Ų135105.6 Ų105.663%0.63155%0.546SS*.Hα-helixtrans-64.5-36.5-178.4-165.7163-154.400112.3Q561 Q562 L567 D568 A569Q561-E565 PolarHBondContact O-N 3.46Å; Q562-E565 PolarHBondContact O-N 3.29Å; E565-L567 VanDerWaalsContact C-N 3.34Å; E565-L567 PolarHBondContact O-N 3.44Å; E565-D568 PolarHBondContact O-N 2.84Å; E565-A569 VanDerWaalsContact O-CB 3.29Å; E565-A569 WeakPolarHBondContact O-CB 3.35Å; E565-A569 PolarHBondContact O-N 3.4Å
566E93.6Very high86.5Confident66 Ų66104.5 Ų104.531%0.30854%0.543SS..Hα-helixtrans-62.7-36.1169.2-75172.9-162.200113Q562 R563 L564 L570Q562-E566 PolarHBondContact NE2-OE1 2.78Å; Q562-E566 WeakPolarHBondContact O-CB 3.29Å; Q562-E566 WeakPolarHBondContact O-CG 3.49Å; Q562-E566 PolarHBondContact O-N 3.34Å; R563-E566 VanDerWaalsContact CD-OE2 3.26Å; R563-E566 WeakPolarHBondContact CD-OE2 3.15Å; R563-E566 IonicContact CZ-OE2 2.63Å; R563-E566 IonicContact NE-OE2 3.77Å; R563-E566 IonicContact NH1-OE2 3.6Å; R563-E566 PolarHBondContact NH1-OE2 3.24Å; L564-E566 VanDerWaalsContact C-N 3.34Å; L564-E566 PolarHBondContact O-N 3.41Å; E566-L570 VanDerWaalsContact O-CG 3.27Å; E566-L570 WeakPolarHBondContact O-CG 3.39Å; E566-L570 PolarHBondContact O-N 3.27Å; E566-L570 VanDerWaalsContact O-N 3.12Å
567L94.6Very high85.2Confident113 Ų113105 Ų10559%0.59255%0.546SS*.Hα-helixtrans-77-38177.6-72.9171.8000112.1R563 L564 E565 A569 L570 L571R563-L567 WeakPolarHBondContact O-CD1 3.17Å; R563-L567 VanDerWaalsContact O-CG 3.28Å; R563-L567 WeakPolarHBondContact O-CG 3.18Å; R563-L567 PolarHBondContact O-N 3.43Å; L564-L567 CarbonylContact O-C 3.58Å; L564-L567 WeakPolarHBondContact O-CA 3.39Å; L564-L567 WeakPolarHBondContact O-CB 3.39Å; L564-L567 PolarHBondContact O-N 3.02Å; E565-L567 VanDerWaalsContact C-N 3.34Å; E565-L567 PolarHBondContact O-N 3.44Å; L567-A569 VanDerWaalsContact C-N 3.32Å; L567-L570 PolarHBondContact O-N 2.97Å; L567-L571 WeakPolarHBondContact O-CB 3.32Å; L567-L571 PolarHBondContact O-N 2.93Å
568D92.2Very high83.6Confident95 Ų95110.5 Ų110.551%0.50857%0.567SS.*Hα-helixtrans-66-36.9175-69-28.4000110.7L564 E565 L571 L572L564-D568 PolarHBondContact O-N 3.28Å; E565-D568 PolarHBondContact O-N 2.84Å; D568-L571 PolarHBondContact O-N 2.89Å; D568-L572 PolarHBondContact O-N 3.04Å; D568-L572 VanDerWaalsContact O-N 3.09Å
569A91.7Very high82Confident58 Ų58109.8 Ų109.848%0.47957%0.574SS.*Hα-helixtrans-66.1-44.7172.800000112.7E565 L567 L571 L572 E573E565-A569 VanDerWaalsContact O-CB 3.29Å; E565-A569 WeakPolarHBondContact O-CB 3.35Å; E565-A569 PolarHBondContact O-N 3.4Å; L567-A569 VanDerWaalsContact C-N 3.32Å; A569-L571 VanDerWaalsContact C-N 3.29Å; A569-L571 PolarHBondContact O-N 3.39Å; A569-L572 PolarHBondContact O-N 2.95Å; A569-E573 PolarHBondContact O-N 3.2Å
570L86.6Confident80.2Confident100 Ų100113.2 Ų113.252%0.52459%0.587SS.*Hα-helixtrans-63.6-34.1175.5-75.4170.3000112.5E566 L567 E573 E574E566-L570 VanDerWaalsContact O-CG 3.27Å; E566-L570 WeakPolarHBondContact O-CG 3.39Å; E566-L570 PolarHBondContact O-N 3.27Å; E566-L570 VanDerWaalsContact O-N 3.12Å; L567-L570 PolarHBondContact O-N 2.97Å; L570-E573 PolarHBondContact O-N 3.24Å; L570-E574 WeakPolarHBondContact O-CB 3.33Å; L570-E574 PolarHBondContact O-N 2.81Å
571L84.4Confident78Confident102 Ų102116.1 Ų116.153%0.53460%0.598SS.*Hα-helixtrans-67.4-39.7174.9-164.180.1000111.5L567 D568 A569 E574 E575L567-L571 WeakPolarHBondContact O-CB 3.32Å; L567-L571 PolarHBondContact O-N 2.93Å; D568-L571 PolarHBondContact O-N 2.89Å; A569-L571 VanDerWaalsContact C-N 3.29Å; A569-L571 PolarHBondContact O-N 3.39Å; L571-E574 PolarHBondContact O-N 3.37Å; L571-E575 WeakPolarHBondContact O-CB 3.33Å; L571-E575 PolarHBondContact O-N 3.08Å
572L81.3Confident76Confident111 Ų111114.1 Ų114.158%0.58160%0.597SS**Hα-helixtrans-66-38.5172.7-109.568.6000112.2D568 A569 E575 T576D568-L572 PolarHBondContact O-N 3.04Å; D568-L572 VanDerWaalsContact O-N 3.09Å; A569-L572 PolarHBondContact O-N 2.95Å; L572-E575 PolarHBondContact O-N 2.89Å; L572-T576 WeakPolarHBondContact O-CB 3.44Å; L572-T576 WeakPolarHBondContact O-CG2 3.4Å; L572-T576 PolarHBondContact O-N 3.5Å; L572-T576 PolarHBondContact O-OG1 3.43Å
573E77Confident73.7Confident119 Ų119118 Ų11856%0.55662%0.615SS**Hα-helixtrans-65-42.2174.8-163.5172.3-174.800111.1A569 L570 T576 V577A569-E573 PolarHBondContact O-N 3.2Å; L570-E573 PolarHBondContact O-N 3.24Å; E573-T576 WeakPolarHBondContact CA-OG1 3.42Å; E573-T576 PolarHBondContact O-N 3.04Å; E573-T576 PolarHBondContact O-OG1 3.35Å; E573-T576 VanDerWaalsContact O-OG1 3.11Å; E573-V577 HydrophobicContact CG-CG2 4.45Å; E573-V577 WeakPolarHBondContact O-CB 3.34Å; E573-V577 VanDerWaalsContact O-CG2 3.23Å; E573-V577 WeakPolarHBondContact O-CG2 3.49Å; E573-V577 PolarHBondContact O-N 3.35Å
574E72.7Confident71.3Confident132 Ų132121.4 Ų121.462%0.61763%0.628SS**Hα-helixtrans-62-45.6172.5-169.6171.5-16700112.1L570 L571 T576 V577 D578L570-E574 WeakPolarHBondContact O-CB 3.33Å; L570-E574 PolarHBondContact O-N 2.81Å; L571-E574 PolarHBondContact O-N 3.37Å; E574-T576 VanDerWaalsContact C-N 3.26Å; E574-T576 PolarHBondContact O-N 3.23Å; E574-V577 PolarHBondContact O-N 3.41Å; E574-D578 PolarHBondContact O-N 3.13Å
575E69.4Low68.8Low143 Ų143125.9 Ų125.967%0.66866%0.66SS**Hα-helixtrans-67-23.5178.3-172.8167.7-164.100113.1L571 L572L571-E575 WeakPolarHBondContact O-CB 3.33Å; L571-E575 PolarHBondContact O-N 3.08Å; L572-E575 PolarHBondContact O-N 2.89Å
576T59.4Low67.6Low92 Ų92125.4 Ų125.456%0.56466%0.661SS**Hα-helixtrans-91.7-31.6176.647.20000113.7L572 E573 E574 G579L572-T576 WeakPolarHBondContact O-CB 3.44Å; L572-T576 WeakPolarHBondContact O-CG2 3.4Å; L572-T576 PolarHBondContact O-N 3.5Å; L572-T576 PolarHBondContact O-OG1 3.43Å; E573-T576 WeakPolarHBondContact CA-OG1 3.42Å; E573-T576 PolarHBondContact O-N 3.04Å; E573-T576 PolarHBondContact O-OG1 3.35Å; E573-T576 VanDerWaalsContact O-OG1 3.11Å; E574-T576 VanDerWaalsContact C-N 3.26Å; E574-T576 PolarHBondContact O-N 3.23Å; T576-G579 PolarHBondContact O-N 3.48Å; T576-G579 VanDerWaalsContact O-N 3.07Å
577V58.4Low66.3Low96 Ų96128.5 Ų128.558%0.58268%0.68SS**Hα-helixtrans-68.5-33.5176166.40000112.1E573 E574 G579 E580E573-V577 HydrophobicContact CG-CG2 4.45Å; E573-V577 WeakPolarHBondContact O-CB 3.34Å; E573-V577 VanDerWaalsContact O-CG2 3.23Å; E573-V577 WeakPolarHBondContact O-CG2 3.49Å; E573-V577 PolarHBondContact O-N 3.35Å; E574-V577 PolarHBondContact O-N 3.41Å; V577-G579 PolarHBondContact O-N 3.06Å; V577-E580 PolarHBondContact O-N 3.01Å
578D55Low64.7Low151 Ų151129.4 Ų129.481%0.80769%0.685SS**THydrogen-bonded Turntrans-67.9-7.9171.7-93-9.1000113.2E574E574-D578 PolarHBondContact O-N 3.13Å
579G57.1Low63.1Low63 Ų63131.4 Ų131.465%0.64970%0.695SS**THydrogen-bonded Turntrans-92.6-21.9176.900000115.9T576 V577T576-G579 PolarHBondContact O-N 3.48Å; T576-G579 VanDerWaalsContact O-N 3.07Å; V577-G579 PolarHBondContact O-N 3.06Å
580E52.3Low61.3Low172 Ų172136 Ų13680%0.80471%0.709SS**  trans-12270.6-175.8-76.4-158.1120.900113.5V577V577-E580 PolarHBondContact O-N 3.01Å
581Q42.9Very low59.6Low173 Ų173138.4 Ų138.481%0.80872%0.721SS**  trans-106.998.8152.2-103.6-171.79.400110.4H583Q581-H583 PolarHBondContact O-N 2.87Å
582P51.3Low57.8Low100 Ų100141 Ų14165%0.64973%0.734SS**  trans-68.8115.6172.527.6-32.3000109.5W584P582-W584 PolarHBondContact O-N 3.14Å
583H45.4Very low56Low185 Ų185143.3 Ų143.386%0.85675%0.746SS**  trans-59110.3169.9-59.1-59.4000110.1Q581Q581-H583 PolarHBondContact O-N 2.87Å
584W42.7Very low54.3Low231 Ų231145.3 Ų145.388%0.87576%0.762SS**  trans-98138.1160.1-79.577.9000109.6P582P582-W584 PolarHBondContact O-N 3.14Å
585T44.9Very low52.6Low206 Ų206146.5 Ų146.5100%1.26478%0.775SS**  trans-68.20-164.750.70000115.4

Retrieved 585 of 585 residues in 407.8 ms (Link to these results)