X5DNR2_HUMAN Loading...

Kruppel-like factor 13

AlphaFold DB (Q9Y2Y9), UniProt , Accession X5DNR2, Species HUMAN (Homo sapiens, Human), Gene KLF13, Length 288 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
1M41.9Very low48.3Very low246 Ų246139.1 Ų139.1100%1.21282%0.82SS**  0118.20-70.5-79.1-177.600106.7
2A41.1Very low48.5Very low106 Ų106134.6 Ų134.688%0.87681%0.81SS**  trans-19.8150.1-179.800000118.4
3A50Low48.1Very low104 Ų104138.4 Ų138.486%0.8681%0.814SS**  cis-156.8138.716.200000110
4A48.4Very low47.9Very low103 Ų103137.9 Ų137.985%0.85182%0.819SS**  trans-121.2126.1156.600000106
5A59.5Low47.8Very low95 Ų95140.4 Ų140.479%0.78583%0.826SS**  trans159.2116.3157.200000110.5
6Y52.9Low48.1Very low216 Ų216139.4 Ų139.485%0.84782%0.822SS**  -154.5100.7128.6-155.2-99.8000108
7V50.4Low47.8Very low114 Ų114136.6 Ų136.669%0.69181%0.811SS**  trans-105.4140.8173.2179.50000106.3
8D48.1Very low47.8Very low144 Ų144138.7 Ų138.777%0.7781%0.813SS**  trans11.4123.6162.2-60-69.8000121.2
9H52.4Low47.8Very low140 Ų140136.8 Ų136.865%0.64881%0.809SS**  trans-169.3117157.8-121.4-80.5000105.4
10F40.7Very low47.9Very low177 Ų177136.4 Ų136.478%0.77681%0.813SS**  -169.2118.959.7-104.1-97.7000104.9
11A46.5Very low47.8Very low85 Ų85141.6 Ų141.670%0.70282%0.819SS**  67.112574.400000114.8
12A50.4Low47.9Very low85 Ų85134.4 Ų134.470%0.70280%0.798SS**  trans83.799.5142.700000120.1
13E43.8Very low48.3Very low184 Ų184135 Ų13586%0.8679%0.791SS**  48.7120.4116.5-59.9-175.6134.700119.9
14C44Very low48.2Very low131 Ų131136.5 Ų136.589%0.88579%0.789SS**  trans-151.682.4141.2-96.10000109.7
15L47.1Very low48.2Very low176 Ų176139.8 Ų139.892%0.92179%0.786SS**  trans-87.1105.9154.7-80.7170.9000107.6
16V51.8Low47.5Very low125 Ų125138.5 Ų138.576%0.75878%0.782SS**  trans-142.8115.1166.9175.70000109.2
17S43.3Very low47.7Very low91 Ų91134 Ų13464%0.63678%0.779SS**  trans58.7118.3139.5-149.30000117.3
18M48.3Very low47.6Very low174 Ų174138 Ų13886%0.85778%0.782SS**  -153.8131.270.1-65.3-140.272.100112.8
19S48Very low47.7Very low104 Ų104138.5 Ų138.573%0.72778%0.779SS**  trans-75.4147.6168.4-43.60000111.6
20S48.5Very low47.7Very low128 Ų128135.2 Ų135.290%0.89578%0.783SS**  -178.6141.9122.4-800000112.5
21R47Very low48.3Very low246 Ų246132.3 Ų132.393%0.92878%0.782SS**  trans-97.5152.5-162.8-65.9161.8154169.8-8.2113
22A44Very low48.3Very low95 Ų95136.9 Ų136.979%0.78579%0.789SS**  trans-179.7104.9139.800000106.4
23V49Very low48.2Very low119 Ų119138.9 Ų138.972%0.72180%0.798SS**  39106.367.2-175.10000112.9
24V47.1Very low48.6Very low134 Ų134141.1 Ų141.181%0.81280%0.799SS**  -166.5140.6112.7171.50000109.4
25H49.4Very low49Very low173 Ų173139.3 Ų139.380%0.80179%0.785SS**  trans-51.1153.7178.1-58-97.8000115.1
26G44.6Very low49Very low67 Ų67140.7 Ų140.769%0.69179%0.787SS**  153.8178.174.300000111.7
27P57Low48.6Very low121 Ų121138.3 Ų138.379%0.78679%0.787SS**  -124.1-162.4-12928.8-7.2000113.5
28R48.6Very low48.3Very low199 Ų199139.2 Ų139.275%0.75180%0.8SS**  trans99.7141.9152.8-70.4-170.3100.9168.5-4.7117.6
29E51.1Low48Very low154 Ų154135.3 Ų135.372%0.7280%0.796SS**  cis-157.6163.1-19.8-43.2-148.4109.200106.3
30G51.6Low48Very low71 Ų71137 Ų13773%0.73280%0.801SS**  trans150.5138.5148.600000116
31P52.1Low47.3Very low117 Ų117135.5 Ų135.576%0.7680%0.797SS**  trans-122.1167.3-135.636.9-20.5000115.9
32E47.8Very low47Very low181 Ų181128.4 Ų128.485%0.84679%0.79SS**  trans43116.6141.4-70.2-17982.600121.4
33S49Very low47.1Very low126 Ų126129.1 Ų129.188%0.88179%0.785SS**  -151116.3126.857.90000109.9
34R51.7Low47.1Very low232 Ų232129 Ų12988%0.87579%0.787SS**  trans-94.5-173178.3-153.7-157.5150.4136.8-5.8109
35P51.1Low46.8Very low92 Ų92128.9 Ų128.960%0.59779%0.787SS**  -110.9162.4-101.940.4-26.1000112.7
36E47.3Very low46.4Very low206 Ų206127.4 Ų127.496%0.96378%0.784SS**  trans-174135.9151.9-109.4169.215300110.4
37G43.1Very low46.2Very low74 Ų74129.4 Ų129.476%0.76379%0.785SS**  trans141.365.1176.100000114A39G37-A39 PolarHBondContact O-N 3.49Å
38A37.5Very low45.4Very low111 Ų111135 Ų13592%0.91779%0.79SS**  trans-59.9112.3163.800000109.7
39A41.9Very low45Very low92 Ų92131.4 Ų131.476%0.7679%0.79SS**  trans-126.592.6164.700000108.3G37G37-A39 PolarHBondContact O-N 3.49Å
40V47.9Very low44.4Very low139 Ų139132.3 Ų132.384%0.84279%0.794SS**  trans-17129.5157.5-92.40000114.6A42V40-A42 PolarHBondContact O-N 3.16Å
41A34.5Very low43.6Very low97 Ų97136.9 Ų136.980%0.80280%0.797SS**  trans-50.7101.9170.800000111.3T43A41-T43 VanDerWaalsContact C-N 3.3Å; A41-T43 PolarHBondContact O-N 3.37Å
42A40.9Very low43Very low96 Ų96140.7 Ų140.779%0.79380%0.796SS**  trans-74.189.6165.500000107.9V40V40-A42 PolarHBondContact O-N 3.16Å
43T46.1Very low42.7Very low110 Ų110143 Ų14368%0.67580%0.797SS**  trans-49.2130160.138.10000108.7A41 T45A41-T43 VanDerWaalsContact C-N 3.3Å; A41-T43 PolarHBondContact O-N 3.37Å; T43-T45 VanDerWaalsContact C-N 3.33Å; T43-T45 PolarHBondContact O-N 2.98Å
44P49.4Very low42.3Very low118 Ų118142.7 Ų142.777%0.76679%0.785SS**  trans-6698.1171.726.5-31.5000108.1L46P44-L46 VanDerWaalsContact C-N 3.29Å; P44-L46 PolarHBondContact O-N 3.14Å
45T39.6Very low41.7Very low130 Ų130135.4 Ų135.480%0.79878%0.783SS**  trans-63.396.2166.7-60.90000106.8T43T43-T45 VanDerWaalsContact C-N 3.33Å; T43-T45 PolarHBondContact O-N 2.98Å
46L42.4Very low41.3Very low143 Ų143139.5 Ų139.575%0.74979%0.791SS**  trans-55.4137.7172.5-68.8176.7000108.9P44 R48P44-L46 VanDerWaalsContact C-N 3.29Å; P44-L46 PolarHBondContact O-N 3.14Å; L46-R48 PolarHBondContact O-N 2.81Å; L46-R48 VanDerWaalsContact O-N 3.15Å
47P39.9Very low41.5Very low108 Ų108133.4 Ų133.470%0.70177%0.765SS**  trans-56.8125.4177.823.6-32.6000109V49P47-V49 PolarHBondContact O-N 2.79Å
48R39Very low42.1Very low239 Ų239134.5 Ų134.590%0.90276%0.761SS**  trans-64.488.4170.7-174.6177178.8115.5-3.7107.6L46 E50L46-R48 PolarHBondContact O-N 2.81Å; L46-R48 VanDerWaalsContact O-N 3.15Å; R48-E50 PolarHBondContact O-N 2.93Å; R48-E50 VanDerWaalsContact O-N 3.07Å
49V41Very low43Very low124 Ų124132.4 Ų132.475%0.75274%0.743SS**  trans-66.6106.6172.4179.10000106.9P47 E51P47-V49 PolarHBondContact O-N 2.79Å; V49-E51 PolarHBondContact O-N 3.24Å; V49-E51 VanDerWaalsContact O-N 3.13Å
50E38.5Very low43.9Very low173 Ų173129.1 Ų129.181%0.80872%0.715SS**  trans-60.7114.3168.9-82.1-168.588.700109.4R48 R52R48-E50 PolarHBondContact O-N 2.93Å; R48-E50 VanDerWaalsContact O-N 3.07Å; E50-R52 PolarHBondContact O-N 3.49Å
51E35.4Very low44.4Very low167 Ų167128.2 Ų128.278%0.7871%0.705SS**  trans-61.698.4176.2-112.9-17091.200110.1V49 R53V49-E51 PolarHBondContact O-N 3.24Å; V49-E51 VanDerWaalsContact O-N 3.13Å; E51-R53 PolarHBondContact O-N 3.22Å
52R39.2Very low45.9Very low197 Ų197129.9 Ų129.974%0.74369%0.694SS**  trans-71.5101.8158.7-78.6-144.5178.6-90-5.4108.5E50 D54E50-R52 PolarHBondContact O-N 3.49Å; R52-D54 VanDerWaalsContact C-N 3.27Å; R52-D54 PolarHBondContact O-N 3.25Å
53R40.3Very low46.9Very low230 Ų230127.1 Ų127.187%0.86867%0.668SS**  trans-58.282.7167-64.9176-175.6162.61.4110.5E51E51-R53 PolarHBondContact O-N 3.22Å
54D40.9Very low47.8Very low118 Ų118123 Ų12363%0.63164%0.642SS**  trans-111.2100.1159.1-76.3-56.3000106.8R52 K56 R152R52-D54 VanDerWaalsContact C-N 3.27Å; R52-D54 PolarHBondContact O-N 3.25Å; D54-K56 PolarHBondContact O-N 3Å; D54-R152 IonicContact OD2-NH2 2.65Å
55G39.7Very low48.9Very low80 Ų80120 Ų12083%0.82563%0.627SS**  trans-67.7108.9-165.300000114.6
56K43.3Very low50.3Low177 Ų177121.2 Ų121.277%0.7762%0.617SS**SBendtrans-168.9127.3138.3-137.190.3175.7-173.60107.5D54D54-K56 PolarHBondContact O-N 3Å
57D51.2Low51.5Low79 Ų79115.2 Ų115.242%0.42259%0.586SS.*  trans83.134.8161.8-38.6-42.5000119.8A59 S60 L61D57-A59 VanDerWaalsContact C-N 3.3Å; D57-A59 PolarHBondContact O-N 3.38Å; D57-S60 WeakPolarHBondContact O-CB 3.48Å; D57-S60 PolarHBondContact O-N 3.04Å; D57-L61 PolarHBondContact O-N 3.34Å
58S55.8Low53.1Low97 Ų97113.1 Ų113.168%0.67857%0.568SS**Hα-helixtrans-54.9-38.4174.747.90000114.2S60 L61 F62S58-S60 VanDerWaalsContact C-N 3.31Å; S58-S60 PolarHBondContact O-N 2.69Å; S58-L61 PolarHBondContact O-N 2.88Å; S58-F62 PolarHBondContact O-N 3.08Å
59A56.1Low54.6Low66 Ų66104 Ų10455%0.54554%0.544SS..Hα-helixtrans-71.3-22.8177.200000113.9D57 V63D57-A59 VanDerWaalsContact C-N 3.3Å; D57-A59 PolarHBondContact O-N 3.38Å; A59-V63 WeakPolarHBondContact O-CG2 3.35Å
60S60.1Low55.7Low23 Ų23102.1 Ų102.116%0.16153%0.529CS..Hα-helixtrans-79.4-39.5177.2-177.80000110.6D57 S58 V64 R219D57-S60 WeakPolarHBondContact O-CB 3.48Å; D57-S60 PolarHBondContact O-N 3.04Å; S58-S60 VanDerWaalsContact C-N 3.31Å; S58-S60 PolarHBondContact O-N 2.69Å; S60-V64 WeakPolarHBondContact O-CG2 3.39Å; S60-V64 PolarHBondContact O-N 3.27Å; S60-V64 VanDerWaalsContact O-N 3.13Å; S60-R219 PolarHBondContact OG-NH1 3.48Å; S60-R219 PolarHBondContact OG-NH2 3.25Å
61L60Low57.1Low121 Ų12195.3 Ų95.363%0.63450%0.499SS*.Hα-helixtrans-67.2-38176.9-71.4175.5000112.1D57 S58 V64 A65D57-L61 PolarHBondContact O-N 3.34Å; S58-L61 PolarHBondContact O-N 2.88Å; L61-V64 PolarHBondContact O-N 2.7Å; L61-A65 VanDerWaalsContact O-CB 3.27Å; L61-A65 WeakPolarHBondContact O-CB 3.49Å; L61-A65 PolarHBondContact O-N 2.84Å
62F64.7Low58.7Low131 Ų13193.6 Ų93.658%0.57550%0.495SS*.Hα-helixtrans-64-45.1178.9-168.8-101.7000112.5S58 V64 A65 R66S58-F62 PolarHBondContact O-N 3.08Å; F62-V64 VanDerWaalsContact C-N 3.33Å; F62-V64 PolarHBondContact O-N 3.27Å; F62-A65 PolarHBondContact O-N 2.87Å; F62-R66 HydrophobicContact CD1-CG 4.49Å; F62-R66 HydrophobicContact CE1-CG 4.26Å; F62-R66 WeakPolarHBondContact O-CG 3.22Å; F62-R66 PolarHBondContact O-N 3.02Å
63V62.5Low59.9Low39 Ų3991.6 Ų91.624%0.23649%0.494CS..Hα-helixtrans-64.1-40.5176.1176.10000111A59 R66 I67A59-V63 WeakPolarHBondContact O-CG2 3.35Å; V63-R66 PolarHBondContact O-N 3.23Å; V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 HydrophobicContact CG1-CG1 4.46Å; V63-I67 VanDerWaalsContact O-CG1 3.25Å; V63-I67 WeakPolarHBondContact O-CG1 3.31Å; V63-I67 PolarHBondContact O-N 3.25Å
64V65.2Low60.6Low22 Ų2286.5 Ų86.513%0.13348%0.48CS..Hα-helixtrans-65.6-41.9175.81730000110.9S60 L61 F62 R66 I67 L68 A215S60-V64 WeakPolarHBondContact O-CG2 3.39Å; S60-V64 PolarHBondContact O-N 3.27Å; S60-V64 VanDerWaalsContact O-N 3.13Å; L61-V64 PolarHBondContact O-N 2.7Å; F62-V64 VanDerWaalsContact C-N 3.33Å; F62-V64 PolarHBondContact O-N 3.27Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 2.89Å; V64-I67 PolarHBondContact O-N 3.35Å; V64-L68 HydrophobicContact CG1-CD1 3.69Å; V64-L68 HydrophobicContact CG1-CG 4Å; V64-L68 VanDerWaalsContact O-CB 3.32Å; V64-L68 WeakPolarHBondContact O-CB 3.45Å; V64-L68 WeakPolarHBondContact O-CG 3.42Å; V64-L68 PolarHBondContact O-N 2.97Å; V64-A215 HydrophobicContact CG1-CB 4.39Å; V64-A215 HydrophobicContact CG2-CB 4.28Å
65A71Confident61.2Low55 Ų5583.9 Ų83.946%0.45548%0.475SS..Hα-helixtrans-61.1-40.317700000111.7L61 F62 L68 A69L61-A65 VanDerWaalsContact O-CB 3.27Å; L61-A65 WeakPolarHBondContact O-CB 3.49Å; L61-A65 PolarHBondContact O-N 2.84Å; F62-A65 PolarHBondContact O-N 2.87Å; A65-L68 PolarHBondContact O-N 3.23Å; A65-A69 WeakPolarHBondContact O-CB 3.11Å; A65-A69 PolarHBondContact O-N 3.45Å
66R70.9Confident61.7Low156 Ų15685.9 Ų85.959%0.58947%0.473SS*.Hα-helixtrans-64.7-49.7173.7-67.3-168.582.8114.61.6112F62 V63 V64 L68 A69 D70F62-R66 HydrophobicContact CD1-CG 4.49Å; F62-R66 HydrophobicContact CE1-CG 4.26Å; F62-R66 WeakPolarHBondContact O-CG 3.22Å; F62-R66 PolarHBondContact O-N 3.02Å; V63-R66 PolarHBondContact O-N 3.23Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 2.89Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.47Å; R66-A69 WeakPolarHBondContact O-CA 3.37Å; R66-A69 WeakPolarHBondContact O-CB 3.45Å; R66-A69 PolarHBondContact O-N 3.43Å; R66-D70 PolarHBondContact O-N 3.19Å; R66-D70 VanDerWaalsContact O-OD2 3.08Å
67I66.9Low62.1Low18 Ų1881.5 Ų81.59%0.09247%0.47CS..Hα-helixtrans-59.2-41.4177.4-65.4164.7000110.9V63 V64 A69 D70 L71 A215 Y218V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 HydrophobicContact CG1-CG1 4.46Å; V63-I67 VanDerWaalsContact O-CG1 3.25Å; V63-I67 WeakPolarHBondContact O-CG1 3.31Å; V63-I67 PolarHBondContact O-N 3.25Å; V64-I67 PolarHBondContact O-N 3.35Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-D70 PolarHBondContact O-N 3.31Å; I67-L71 HydrophobicContact CG2-CD1 3.87Å; I67-L71 HydrophobicContact CG2-CG 4.36Å; I67-L71 WeakPolarHBondContact O-CB 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.37Å; I67-L71 PolarHBondContact O-N 3.42Å; I67-A215 HydrophobicContact CG2-CB 4.37Å; I67-Y218 HydrophobicContact CD1-CD1 3.68Å; I67-Y218 HydrophobicContact CD1-CE1 4.44Å; I67-Y218 HydrophobicContact CD1-CG 4.15Å; I67-Y218 HydrophobicContact CG1-CD1 4.23Å
68L72.6Confident62.2Low64 Ų6483.8 Ų83.834%0.33549%0.489SS..Hα-helixtrans-66.6-36176.3-70.3175.9000112V64 A65 R66 N72V64-L68 HydrophobicContact CG1-CD1 3.69Å; V64-L68 HydrophobicContact CG1-CG 4Å; V64-L68 VanDerWaalsContact O-CB 3.32Å; V64-L68 WeakPolarHBondContact O-CB 3.45Å; V64-L68 WeakPolarHBondContact O-CG 3.42Å; V64-L68 PolarHBondContact O-N 2.97Å; A65-L68 PolarHBondContact O-N 3.23Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.47Å; L68-N72 VanDerWaalsContact O-CB 3.31Å; L68-N72 WeakPolarHBondContact O-CB 3.47Å; L68-N72 PolarHBondContact O-N 3.46Å
69A71.6Confident61.9Low47 Ų4783.4 Ų83.439%0.38849%0.492SS..Hα-helixtrans-66.2-44.8174.500000111.4A65 R66 I67 L71 N72 Q73A65-A69 WeakPolarHBondContact O-CB 3.11Å; A65-A69 PolarHBondContact O-N 3.45Å; R66-A69 WeakPolarHBondContact O-CA 3.37Å; R66-A69 WeakPolarHBondContact O-CB 3.45Å; R66-A69 PolarHBondContact O-N 3.43Å; I67-A69 VanDerWaalsContact C-N 3.34Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-L71 PolarHBondContact O-N 3.09Å; A69-N72 PolarHBondContact O-N 3.12Å; A69-Q73 WeakPolarHBondContact O-CG 3.48Å; A69-Q73 PolarHBondContact O-N 3.09Å; A69-Q73 VanDerWaalsContact O-N 3.12Å
70D64.8Low61.6Low84 Ų8485.8 Ų85.845%0.44950%0.502SS..Hα-helixtrans-63.2-39.9176-69.8-51.2000111.6R66 I67 Q73 Q74R66-D70 PolarHBondContact O-N 3.19Å; R66-D70 VanDerWaalsContact O-OD2 3.08Å; I67-D70 PolarHBondContact O-N 3.31Å; D70-Q73 PolarHBondContact O-N 2.88Å; D70-Q74 PolarHBondContact O-N 2.69Å
71L66Low61.3Low31 Ų3189.7 Ų89.716%0.16254%0.535CS..Hα-helixtrans-68.7-34.2175.4-69.4169.4000112.8I67 A69 Q73 Q74 L214I67-L71 HydrophobicContact CG2-CD1 3.87Å; I67-L71 HydrophobicContact CG2-CG 4.36Å; I67-L71 WeakPolarHBondContact O-CB 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.37Å; I67-L71 PolarHBondContact O-N 3.42Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-L71 PolarHBondContact O-N 3.09Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.42Å; L71-Q74 PolarHBondContact O-N 2.95Å; L71-L214 HydrophobicContact CD1-CD2 3.57Å; L71-L214 HydrophobicContact CD1-CG 4.31Å; L71-L214 HydrophobicContact CD2-CD2 3.54Å; L71-L214 HydrophobicContact CG-CD2 4.2Å
72N70.1Confident60.6Low131 Ų13192.8 Ų92.870%0.70155%0.546SS*.Hα-helixtrans-69.6-28.4176.7-167.360.8000111.9L68 A69 Q74L68-N72 VanDerWaalsContact O-CB 3.31Å; L68-N72 WeakPolarHBondContact O-CB 3.47Å; L68-N72 PolarHBondContact O-N 3.46Å; A69-N72 PolarHBondContact O-N 3.12Å; N72-Q74 VanDerWaalsContact C-N 3.28Å; N72-Q74 PolarHBondContact O-N 3.22Å
73Q63.9Low59.9Low155 Ų15597 Ų9772%0.72456%0.559SS**Hα-helixtrans-74.1-16.4173.9-69.3178.218.300113.5A69 D70 L71A69-Q73 WeakPolarHBondContact O-CG 3.48Å; A69-Q73 PolarHBondContact O-N 3.09Å; A69-Q73 VanDerWaalsContact O-N 3.12Å; D70-Q73 PolarHBondContact O-N 2.88Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.42Å
74Q56.6Low59.3Low123 Ų123107 Ų10758%0.57559%0.592SS**THydrogen-bonded Turntrans-93.92.3178-68.9172.119.600113.5D70 L71 N72 P76D70-Q74 PolarHBondContact O-N 2.69Å; L71-Q74 PolarHBondContact O-N 2.95Å; N72-Q74 VanDerWaalsContact C-N 3.28Å; N72-Q74 PolarHBondContact O-N 3.22Å; Q74-P76 VanDerWaalsContact O-CD 3.3Å; Q74-P76 WeakPolarHBondContact O-CD 3.49Å
75A53.5Low58.4Low63 Ų63114.3 Ų114.352%0.52163%0.625SS.*SBendtrans-68.8117.3173.600000109.1A77A75-A77 PolarHBondContact O-N 3.42Å
76P49.5Very low57.1Low121 Ų121115.6 Ų115.679%0.78664%0.644SS**PPolyproline II helixtrans-60.4130.3173.125.9-32.4000108.1Q74Q74-P76 VanDerWaalsContact O-CD 3.3Å; Q74-P76 WeakPolarHBondContact O-CD 3.49Å
77A51.6Low55.8Low86 Ų86113 Ų11371%0.71166%0.656SS**PPolyproline II helixtrans-50.2141.9173.600000109.5A75 A79A75-A77 PolarHBondContact O-N 3.42Å; A77-A79 PolarHBondContact O-N 2.89Å; A77-A79 VanDerWaalsContact O-N 3.12Å
78P52.7Low54.8Low126 Ų126116.8 Ų116.882%0.81869%0.69SS**PPolyproline II helixtrans-56.2124.1176.924.4-32.8000108.7
79A49.2Very low53.5Low90 Ų90117.9 Ų117.974%0.74471%0.708SS**PPolyproline II helixtrans-57.2139.5177.800000109.8A77 A81A77-A79 PolarHBondContact O-N 2.89Å; A77-A79 VanDerWaalsContact O-N 3.12Å; A79-A81 PolarHBondContact O-N 3.04Å
80P51.5Low52.5Low116 Ų116127.3 Ų127.375%0.75373%0.733SS**PPolyproline II helixtrans-60.2134.8176.625.4-32.8000109.8E82P80-E82 PolarHBondContact O-N 3.24Å
81A52.1Low51.9Low104 Ų104133.3 Ų133.386%0.8676%0.755SS**  trans-65.499.9178.700000110.3A79 R83A79-A81 PolarHBondContact O-N 3.04Å; A81-R83 PolarHBondContact O-N 3.26Å
82E46.6Very low50.9Low186 Ų186136.1 Ų136.187%0.86978%0.783SS**  trans-69.9117.9172.6-74.3-142107.100110.8P80 R84P80-E82 PolarHBondContact O-N 3.24Å; E82-R84 PolarHBondContact O-N 3.26Å
83R49.3Very low50.1Low221 Ų221141.8 Ų141.883%0.83480%0.795SS**  trans-71.2105.2174.6-160.2178.5-159.5-114.45.6108.5A81 E85A81-R83 PolarHBondContact O-N 3.26Å; R83-E85 PolarHBondContact O-N 3.46Å
84R50.9Low49.8Very low249 Ų249140.7 Ų140.794%0.9480%0.799SS**  trans-76104.3173.8-77.9-177.4165.2-178.7-3.9110.6E82E82-R84 PolarHBondContact O-N 3.26Å
85E45.9Very low49.6Very low174 Ų174140 Ų14081%0.81381%0.805SS**  trans-81.4126155.8-84.5178.982.200109.4R83R83-E85 PolarHBondContact O-N 3.46Å
86G43Very low49Very low83 Ų83143.4 Ų143.486%0.85682%0.823SS**  trans-94.7136.2177.200000111.7
87A44.9Very low48.8Very low102 Ų102149.2 Ų149.284%0.84383%0.829SS**  trans-152.2101.7161.400000111.3
88A43.9Very low48.8Very low97 Ų97153.1 Ų153.180%0.80284%0.837SS**  trans35.2121.1138.200000122
89A45.9Very low49.4Very low86 Ų86152.6 Ų152.671%0.71183%0.834SS**  67117.7126.200000119.6
90R51.8Low49.8Very low246 Ų246153.9 Ų153.993%0.92884%0.835SS**  -179.4149.2100.8-91.9158.7-178.1-84.7-0.9111.8
91K50.9Low50.4Low209 Ų209154.4 Ų154.491%0.90984%0.839SS**  trans-80.4162.5-169-69.3171.4173.2179.30113.2
92A45.2Very low50.3Low91 Ų91154.2 Ų154.275%0.75284%0.837SS**  trans94.1104.8147.100000118.4
93R53.3Low51Low250 Ų250151.4 Ų151.494%0.94383%0.834SS**  171.7109.1103.1-96.7179.6-179.1-125.81.1110.6
94T57.9Low50.9Low132 Ų132149.9 Ų149.981%0.8184%0.837SS**  trans-78.6177.1151.65.10000109
95P53Low50.5Low107 Ų107143.5 Ų143.570%0.69583%0.828SS**  cis-137.1175.8-19.534.1-15.2000112.8
96C39.9Very low50.4Low135 Ų135141.9 Ų141.991%0.91283%0.83SS**  trans-150.6124.6143.4-98.90000109.4
97R45.5Very low50.4Low243 Ų243143.2 Ų143.292%0.91783%0.826SS**  trans-73.8142.9179.4-80.2175.7160.4-138.2-1110.9
98L52.3Low50.2Low168 Ų168145.1 Ų145.188%0.8883%0.83SS**  trans-129.6138.3146.9-91.1123.9000108.8
99P63.9Low50Low115 Ų115143.3 Ų143.375%0.74782%0.821SS**PPolyproline II helixtrans-75.4155.4-178.331.3-34.6000112.5
100P57.9Low49.6Very low118 Ų118144.3 Ų144.377%0.76683%0.829SS**PPolyproline II helixtrans-87155.9-175.135.3-34.7000113.3
101P64.2Low48.8Very low127 Ų127141.5 Ų141.583%0.82583%0.826SS**PPolyproline II helixtrans-82.2147165.432.1-31.9000112.5
102A50.7Low48.1Very low99 Ų99135.5 Ų135.582%0.81882%0.824SS**PPolyproline II helixtrans-74.3142.1-178.600000113.2
103P60.2Low47.6Very low127 Ų127136.3 Ų136.383%0.82583%0.831SS**PPolyproline II helixtrans-97.2132.6164.732.7-29000112.7
104E48.5Very low46.9Very low189 Ų189129 Ų12988%0.88382%0.824SS**PPolyproline II helixtrans-73.8155.1172.2-66.4-174.1107.600112.5
105P41.6Very low46Very low116 Ų116127.4 Ų127.475%0.75382%0.824SS**PPolyproline II helixtrans-93.3136.5-171.935.3-30.4000112.2
106T44.9Very low45.5Very low140 Ų140127 Ų12786%0.85983%0.829SS**  trans-170.1131.7148.912.70000113.9
107S42.4Very low46.3Very low111 Ų111125.7 Ų125.778%0.77682%0.819SS**  trans82119.1159.3-60.50000119.6G109S107-G109 PolarHBondContact O-N 3.45Å
108P40.7Very low46.6Very low141 Ų141120 Ų12092%0.91681%0.813SS**  trans-79.1115.9178.632.2-30.7000110.3
109G40.2Very low46.6Very low59 Ų59117.3 Ų117.361%0.60881%0.809SS**  trans-142.890177.700000111.4S107S107-G109 PolarHBondContact O-N 3.45Å
110A35.9Very low46Very low107 Ų107116.4 Ų116.488%0.88480%0.803SS**  trans5662.1147.200000119.5
111E36.3Very low44.9Very low187 Ų187115.5 Ų115.587%0.87481%0.806SS**  trans-137.2101.2168.6-46.7-156.8115.100111.8
112G35.2Very low43.5Very low83 Ų83120 Ų12086%0.85681%0.806SS**  trans-105.179.2164.100000108.8A114G112-A114 PolarHBondContact O-N 3.16Å
113A36Very low42.9Very low109 Ų109120.7 Ų120.790%0.90181%0.805SS**  trans-7793.6169.400000108.6
114A38.3Very low42.2Very low96 Ų96123.2 Ų123.279%0.79381%0.806SS**  trans-100.7126.8169.500000109.1G112G112-A114 PolarHBondContact O-N 3.16Å
115A39Very low42.1Very low99 Ų99119.9 Ų119.982%0.81880%0.801SS**  trans-39.7132.4-177.400000114.2P117A115-P117 WeakPolarHBondContact O-CD 3.5Å
116A42.2Very low42.4Very low97 Ų97122.8 Ų122.880%0.80280%0.804SS**PPolyproline II helixtrans-62.8121.7173.600000110.6
117P55.7Low42.7Very low108 Ų108122.1 Ų122.170%0.70180%0.803SS**PPolyproline II helixtrans-72.3146.416430-32.1000109.7A115 S119A115-P117 WeakPolarHBondContact O-CD 3.5Å; P117-S119 PolarHBondContact O-N 3.16Å
118P51.8Low42.9Very low123 Ų123126 Ų12680%0.79981%0.808SS**PPolyproline II helixtrans-61136.2178.125.7-33.3000110.8
119S53.3Low43.1Very low113 Ų113124.1 Ų124.179%0.7981%0.805SS**PPolyproline II helixtrans-51.2127178.9-57.20000111.9P117 A121P117-S119 PolarHBondContact O-N 3.16Å; S119-A121 PolarHBondContact O-N 3.46Å
120P50.3Low43.2Very low96 Ų96124.5 Ų124.562%0.62381%0.809SS**PPolyproline II helixtrans-67.4119.8165.525.4-29.3000108.5W122P120-W122 PolarHBondContact O-N 2.76Å; P120-W122 VanDerWaalsContact O-N 3.16Å
121A35.4Very low43.5Very low99 Ų99127.7 Ų127.782%0.81881%0.81SS**  trans-69103168.800000108.1S119 S123S119-A121 PolarHBondContact O-N 3.46Å; A121-S123 PolarHBondContact O-N 3.46Å
122W34.4Very low44.1Very low220 Ų220127.4 Ų127.483%0.83381%0.809SS**  trans-85.9106.1169.8-6575.3000106.8P120 E124P120-W122 PolarHBondContact O-N 2.76Å; P120-W122 VanDerWaalsContact O-N 3.16Å; W122-E124 PolarHBondContact O-N 2.61Å
123S38.8Very low44.8Very low114 Ų114129 Ų12980%0.79780%0.804SS**PPolyproline II helixtrans-53.5118.8169.7-51.40000109.2A121A121-S123 PolarHBondContact O-N 3.46Å
124E44.8Very low45.2Very low181 Ų181132.9 Ų132.985%0.84680%0.803SS**PPolyproline II helixtrans-55.3127.4166.2-105.4167.981.800109W122 E126W122-E124 PolarHBondContact O-N 2.61Å; E124-E126 PolarHBondContact O-N 2.83Å
125P46.5Very low45.6Very low119 Ų119139.7 Ų139.777%0.77381%0.809SS**PPolyproline II helixtrans-71116163.327.1-28.5000108.2
126E48.6Very low46Very low176 Ų176142.8 Ų142.882%0.82281%0.806SS**PPolyproline II helixtrans-54.7133.2171.5-66.9-166101.900110.1E124 E128E124-E126 PolarHBondContact O-N 2.83Å; E126-E128 PolarHBondContact O-N 2.84Å; E126-E128 VanDerWaalsContact O-N 3.15Å
127P50.2Low46.6Very low127 Ų127144 Ų14483%0.82581%0.806SS**  trans-73.2105.8170.628.5-30.2000108.8A129P127-A129 PolarHBondContact O-N 3.22Å
128E47.8Very low47Very low191 Ų191142 Ų14289%0.89380%0.804SS**  trans-59.7122.9174.2-56.3-153.5113.500110.2E126 G130E126-E128 PolarHBondContact O-N 2.84Å; E126-E128 VanDerWaalsContact O-N 3.15Å; E128-G130 VanDerWaalsContact C-N 3.35Å; E128-G130 PolarHBondContact O-N 3.32Å
129A43.5Very low46.8Very low103 Ų103142.5 Ų142.585%0.85181%0.807SS**  trans-67.887.1176.700000110.3P127P127-A129 PolarHBondContact O-N 3.22Å
130G43Very low46.3Very low66 Ų66142.3 Ų142.368%0.6881%0.813SS**  trans-86.3109.716800000110.3E128 E132E128-G130 VanDerWaalsContact C-N 3.35Å; E128-G130 PolarHBondContact O-N 3.32Å; G130-E132 PolarHBondContact O-N 2.86Å
131L43.1Very low46.1Very low175 Ų175141.3 Ų141.392%0.91682%0.82SS**  trans-51.2114.4170.5-66.6111.9000111
132E47.3Very low46.4Very low180 Ų180142.7 Ų142.784%0.84182%0.824SS**PPolyproline II helixtrans-98.6128162.2-76.9-123.599.100109.1G130G130-E132 PolarHBondContact O-N 2.86Å
133P50.8Low47.2Very low116 Ų116135.4 Ų135.475%0.75382%0.817SS**PPolyproline II helixtrans-71130.6178.527.5-31.1000110.6R135P133-R135 PolarHBondContact O-N 3.16Å
134E43.5Very low47.5Very low192 Ų192139 Ų13990%0.89782%0.821SS**PPolyproline II helixtrans-56.6117176.6-57.7-167.197.400110.3
135R47.4Very low48Very low239 Ų239136.7 Ų136.790%0.90282%0.821SS**  trans-108.4101.6172.7-166.8174-173.2157.73.1109P133P133-R135 PolarHBondContact O-N 3.16Å
136E48.7Very low48.1Very low164 Ų164134 Ų13477%0.76682%0.815SS**  trans-44.8132.8173.8-68.3-77.593.700112.8G138E136-G138 PolarHBondContact O-N 3.22Å
137P54Low48.4Very low123 Ų123133.8 Ų133.880%0.79982%0.819SS**  trans-78.5110.9172.928.8-28.8000110.9
138G62.9Low48.6Very low64 Ų64138.9 Ų138.966%0.6682%0.821SS**  trans-69.9162.317500000114.3E136E136-G138 PolarHBondContact O-N 3.22Å
139P47.9Very low49Very low134 Ų134138.1 Ų138.187%0.8782%0.818SS**  trans-74150.8-162.829.3-34.8000114.3G141P139-G141 PolarHBondContact O-N 3.44Å
140A43Very low49.6Very low109 Ų109143.9 Ų143.990%0.90182%0.818SS**  trans-59.4100.9-177.400000112.9
141G47.6Very low50.5Low75 Ų75146.4 Ų146.477%0.77382%0.82SS**  trans-81.7110.1166.100000110.8P139 G143P139-G141 PolarHBondContact O-N 3.44Å; G141-G143 PolarHBondContact O-N 2.75Å
142S41.2Very low51.4Low129 Ų129147.1 Ų147.190%0.90281%0.81SS**  trans-62.6105.9167.848.60000110.6
143G50.6Low52.1Low66 Ų66150 Ų15068%0.6881%0.813SS**  trans-146.5120.6172.100000109.6G141G141-G143 PolarHBondContact O-N 2.75Å
144E45.4Very low52.5Low191 Ų191147.7 Ų147.789%0.89381%0.811SS**  trans-48.8132.7-175.8-75179.875.500113.3G146E144-G146 PolarHBondContact O-N 3.42Å
145P55Low53.3Low131 Ų131146.1 Ų146.185%0.85180%0.797SS**  trans-78.490.1176.629.8-29.8000109.9L147P145-L147 PolarHBondContact O-N 3Å
146G49.7Very low53.8Low62 Ų62137.9 Ų137.964%0.63978%0.776SS**  trans-54.1123.8164.400000110.4E144 R148E144-G146 PolarHBondContact O-N 3.42Å; G146-R148 VanDerWaalsContact C-N 3.26Å; G146-R148 PolarHBondContact O-N 2.65Å
147L54.7Low54.3Low172 Ų172140.2 Ų140.290%0.90178%0.777SS**  trans-55.279.6179.5-112.3164000111.7P145 Q149P145-L147 PolarHBondContact O-N 3Å; L147-Q149 PolarHBondContact O-N 3.21Å; L147-Q149 VanDerWaalsContact O-N 3.09Å
148R52.9Low54.5Low234 Ų234137.8 Ų137.888%0.88377%0.768SS**  trans-76.399.7170.1-74.2-171.3151.3-112.1-5.9107.9G146 R150G146-R148 VanDerWaalsContact C-N 3.26Å; G146-R148 PolarHBondContact O-N 2.65Å; R148-R150 PolarHBondContact O-N 2.86Å
149Q57.9Low54.2Low176 Ų176138.6 Ų138.682%0.82276%0.757SS**  trans-50.6108164.2-77.3174.13.800108L147 V151L147-Q149 PolarHBondContact O-N 3.21Å; L147-Q149 VanDerWaalsContact O-N 3.09Å; Q149-V151 PolarHBondContact O-N 3.2Å
150R55.4Low54.6Low223 Ų223137.9 Ų137.984%0.84275%0.745SS**  trans-65.595.5164.1-77.3-173.3-155.5-102.40.8106.3R148 R152R148-R150 PolarHBondContact O-N 2.86Å; R150-R152 PolarHBondContact O-N 3.39Å
151V62.5Low55.3Low120 Ų120139.9 Ų139.973%0.72774%0.736SS**  trans-54.5111.1159.3176.50000105.4Q149 R153Q149-V151 PolarHBondContact O-N 3.2Å; V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.32Å
152R60.3Low55.6Low190 Ų190139.2 Ų139.272%0.71772%0.719SS**  trans-60.6102.3170.5-70.1-159.1-177.5-155.87.3105.4D54 R150 G154D54-R152 IonicContact OD2-NH2 2.65Å; R150-R152 PolarHBondContact O-N 3.39Å; R152-G154 PolarHBondContact O-N 3.49Å
153R63.1Low56.6Low239 Ų239138.8 Ų138.890%0.90271%0.714SS**  trans-57.1107.8169.2-75.5-173.3-177.7-1291.7105.5V151 R155V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.32Å; R153-R155 PolarHBondContact O-N 3.43Å
154G59.6Low57.1Low68 Ų68143.1 Ų143.170%0.70172%0.716SS**  trans-53.2128.9174.500000107.7R152 S156R152-G154 PolarHBondContact O-N 3.49Å; G154-S156 PolarHBondContact O-N 3.46Å
155R59.8Low57.5Low159 Ų159144.4 Ų144.460%0.671%0.713SS**  trans-61.3108.3176.6-153.7167.7-163.6-101.5-16106.5R153 D159R153-R155 PolarHBondContact O-N 3.43Å; R155-D159 HydrophobicContact CG-CB 4.01Å; R155-D159 IonicContact CZ-OD1 3.35Å; R155-D159 IonicContact NE-OD1 3.51Å; R155-D159 IonicContact NH2-OD1 2.82Å; R155-D159 PolarHBondContact NH2-OD1 3.41Å
156S58.6Low58.2Low66 Ų66145.5 Ų145.546%0.46271%0.705SS.*  trans-62.9151.9-177.672.90000109.2G154 A158 D159G154-S156 PolarHBondContact O-N 3.46Å; S156-A158 PolarHBondContact O-N 3.45Å; S156-A158 VanDerWaalsContact O-N 3.12Å; S156-D159 WeakPolarHBondContact O-CB 3.48Å; S156-D159 PolarHBondContact O-N 3.24Å
157R59.1Low59.4Low213 Ų213145.4 Ų145.480%0.80469%0.687SS**Hα-helixtrans-50-36.8175.1-110.3175.9164.7164.2-6111.7D159 L160 E161R157-D159 VanDerWaalsContact C-N 3.34Å; R157-D159 PolarHBondContact O-N 3.47Å; R157-L160 WeakPolarHBondContact O-CB 3.4Å; R157-L160 PolarHBondContact O-N 2.94Å; R157-L160 VanDerWaalsContact O-N 3.16Å; R157-E161 PolarHBondContact O-N 3.49Å
158A57.3Low60.7Low72 Ų72142.9 Ų142.960%0.59567%0.669SS**Hα-helixtrans-64.5-29177.800000114.6S156 L160 E161 S162S156-A158 PolarHBondContact O-N 3.45Å; S156-A158 VanDerWaalsContact O-N 3.12Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-E161 PolarHBondContact O-N 2.98Å; A158-S162 PolarHBondContact O-N 3.35Å
159D56.6Low62.2Low82 Ų82132.2 Ų132.244%0.43963%0.63SS.*Hα-helixtrans-77.5-19.4177.5-147.1-84.2000112.2R155 S156 R157R155-D159 HydrophobicContact CG-CB 4.01Å; R155-D159 IonicContact CZ-OD1 3.35Å; R155-D159 IonicContact NE-OD1 3.51Å; R155-D159 IonicContact NH2-OD1 2.82Å; R155-D159 PolarHBondContact NH2-OD1 3.41Å; S156-D159 WeakPolarHBondContact O-CB 3.48Å; S156-D159 PolarHBondContact O-N 3.24Å; R157-D159 VanDerWaalsContact C-N 3.34Å; R157-D159 PolarHBondContact O-N 3.47Å
160L57.1Low63.2Low119 Ų119132 Ų13262%0.62363%0.629SS**Hα-helixtrans-81.3-23.4171.3-72.8158.1000112.3R157 A158R157-L160 WeakPolarHBondContact O-CB 3.4Å; R157-L160 PolarHBondContact O-N 2.94Å; R157-L160 VanDerWaalsContact O-N 3.16Å; A158-L160 VanDerWaalsContact C-N 3.31Å
161E56.2Low64.4Low150 Ų150127.2 Ų127.270%0.70161%0.612SS**SBendtrans-91.8-1176.3-81.5154.677.500113.4R157 A158R157-E161 PolarHBondContact O-N 3.49Å; A158-E161 PolarHBondContact O-N 2.98Å
162S55.6Low65.3Low61 Ų61126 Ų12643%0.42761%0.614SS.*SBendtrans-60.2128.5173.2-165.10000110.1A158 Q164A158-S162 PolarHBondContact O-N 3.35Å; S162-Q164 PolarHBondContact O-N 3.46Å
163P61.4Low66.2Low121 Ų121121.4 Ų121.479%0.78663%0.626SS**  trans-73.350.6-179.930.6-34.8000112R165P163-R165 PolarHBondContact O-N 2.72Å
164Q60.3Low67Low157 Ų157110.9 Ų110.973%0.73459%0.589SS**  trans-62.687.8166.3-71.2-99.1-30.300107.3S162 K166S162-Q164 PolarHBondContact O-N 3.46Å; Q164-K166 PolarHBondContact O-N 2.85Å
165R54.2Low68Low218 Ų218116.5 Ų116.582%0.82360%0.597SS**  trans-1.288.2174.5-64.7176.7178.7-106.81.4113.3P163 H167P163-R165 PolarHBondContact O-N 2.72Å; R165-H167 PolarHBondContact O-CD2 3.17Å; R165-H167 PolarHBondContact O-N 3.29Å
166K70.9Confident69.1Low154 Ų154114.4 Ų114.467%0.6759%0.592SS**  trans-52.7123.6168.6-68.6177-176.8178.10108.9Q164 K168 V177Q164-K166 PolarHBondContact O-N 2.85Å; K166-K168 PolarHBondContact O-N 2.8Å; K166-V177 HydrophobicContact CB-CG1 3.51Å; K166-V177 HydrophobicContact CD-CG1 4.12Å; K166-V177 HydrophobicContact CG-CG1 4.16Å
167H74.8Confident70.3Confident60 Ų60114.8 Ų114.828%0.27859%0.591SS.*EExtended strand (participates in β ladder)trans-83.597.9-179.8-63.8-78.4000109.5R165 Y178 S181 L184R165-H167 PolarHBondContact O-CD2 3.17Å; R165-H167 PolarHBondContact O-N 3.29Å; H167-Y178 WeakPolarHBondContact CB-O 3.47Å; H167-Y178 PolarHBondContact N-O 3.45Å; H167-Y178 PolarHBondContact O-N 2.7Å; H167-S181 VanDerWaalsContact CD2-CA 3.49Å; H167-S181 WeakPolarHBondContact CD2-CA 3.41Å; H167-S181 PolarHBondContact CD2-N 3.25Å; H167-S181 VanDerWaalsContact CE1-CB 3.43Å; H167-S181 WeakPolarHBondContact CE1-CB 3.35Å; H167-S181 WeakPolarHBondContact NE2-CB 3.46Å; H167-S181 PolarHBondContact NE2-N 2.88Å; H167-S181 VanDerWaalsContact NE2-N 3.16Å; H167-L184 HydrophobicContact CB-CB 3.69Å; H167-L184 HydrophobicContact CB-CD2 3.66Å; H167-L184 HydrophobicContact CB-CG 4.23Å
168K81.3Confident71.3Confident118 Ų118107 Ų10751%0.51356%0.562SS.*EExtended strand (participates in β ladder)trans-86.4143.1-177.2-55.5-176.9-179.8-179.70110.6K166 H170 V177 L184K166-K168 PolarHBondContact O-N 2.8Å; K168-H170 PolarHBondContact O-CD2 3.23Å; K168-V177 HydrophobicContact CB-CG2 4.44Å; K168-V177 HydrophobicContact CG-CG1 4.04Å; K168-V177 HydrophobicContact CG-CG2 3.93Å; K168-L184 WeakPolarHBondContact O-CD2 3.47Å
169C84Confident72.4Confident11 Ų11106.9 Ų106.97%0.07457%0.568CS.*  trans-74.3131.9164.6-165.80000108.9Y171 C174 K176 L184 H187 H191C169-Y171 VanDerWaalsContact SG-CB 3.59Å; C169-C174 HydrophobicContact CB-CB 4.31Å; C169-K176 PolarHBondContact N-O 3.34Å; C169-L184 HydrophobicContact CB-CD1 4.07Å; C169-H187 PolarHBondContact SG-NE2 2.93Å; C169-H191 PolarHBondContact SG-NE2 2.98Å; C169-H191 VanDerWaalsContact SG-NE2 3.43Å
170H79.7Confident73.5Confident171 Ų171109.1 Ų109.179%0.79257%0.574SS**  trans-104.312.3175.8-69.2-80.7000112.1K168K168-H170 PolarHBondContact O-CD2 3.23Å
171Y80Confident74.7Confident123 Ų123106.6 Ų106.648%0.48257%0.566SS.*SBendtrans-73.1136.4177.5-159.1-91.9000110.3C169 G173 C174 H191C169-Y171 VanDerWaalsContact SG-CB 3.59Å; Y171-G173 PolarHBondContact O-N 2.83Å; Y171-C174 PolarHBondContact O-N 3.05Å; Y171-H191 HydrophobicContact CD1-CB 4.35Å; Y171-H191 AromaticContact CD1-CE1 3.45Å; Y171-H191 VanDerWaalsContact CD1-CE1 3.45Å; Y171-H191 WeakPolarHBondContact CD1-CE1 3.46Å; Y171-H191 AromaticContact CD1-CG 3.74Å; Y171-H191 AromaticContact CD1-ND1 3.12Å; Y171-H191 WeakPolarHBondContact CD1-ND1 3.47Å; Y171-H191 HydrophobicContact CD2-CB 3.57Å; Y171-H191 AromaticContact CD2-CG 3.65Å; Y171-H191 AromaticContact CD2-ND1 3.92Å; Y171-H191 HydrophobicContact CE1-CB 4.4Å; Y171-H191 AromaticContact CE1-ND1 3.48Å; Y171-H191 WeakPolarHBondContact CE1-ND1 3.49Å; Y171-H191 HydrophobicContact CE2-CB 3.65Å; Y171-H191 HydrophobicContact CG-CB 3.92Å; Y171-H191 AromaticContact CG-CD2 3.85Å; Y171-H191 AromaticContact CG-CE1 3.69Å; Y171-H191 AromaticContact CG-CG 3.44Å; Y171-H191 VanDerWaalsContact CG-CG 3.44Å; Y171-H191 AromaticContact CG-ND1 3.35Å; Y171-H191 VanDerWaalsContact CG-ND1 3.35Å
172A81.5Confident75.8Confident94 Ų94103.1 Ų103.178%0.77756%0.558SS**THydrogen-bonded Turntrans-56.9122.5179.800000110.5
173G79.6Confident77Confident94 Ų94104.9 Ų104.997%0.96956%0.559SS**THydrogen-bonded Turntrans84.36.7-176.700000115.6Y171Y171-G173 PolarHBondContact O-N 2.83Å
174C79.5Confident78.1Confident17 Ų17100.2 Ų100.212%0.11553%0.528CS..  trans-119.7109.1176.2-165.60000112.7C169 Y171 H187 H191C169-C174 HydrophobicContact CB-CB 4.31Å; Y171-C174 PolarHBondContact O-N 3.05Å; C174-H187 PolarHBondContact SG-CE1 3.5Å; C174-H187 PolarHBondContact SG-NE2 3.49Å; C174-H191 WeakPolarHBondContact CB-NE2 3.27Å; C174-H191 PolarHBondContact SG-NE2 3.42Å; C174-H191 VanDerWaalsContact SG-NE2 3.37Å
175E80.4Confident79.1Confident186 Ų18699.3 Ų99.387%0.86952%0.522SS*.  trans-9823.6179.9-152.5178.7170.900113
176K82.4Confident80.2Confident116 Ų11689.9 Ų89.950%0.50449%0.49SS..  trans-77.8132.3-174.7-66.6-179-171.9171.10111.4C169 Y178C169-K176 PolarHBondContact N-O 3.34Å; K176-Y178 HydrophobicContact CB-CE2 3.65Å; K176-Y178 WeakPolarHBondContact CD-OH 3.25Å
177V83.9Confident80.8Confident73 Ų7383 Ų8344%0.44246%0.46SS..EExtended strand (participates in β ladder)trans-120.8130.1-178.9-175.20000110.1K166 K168K166-V177 HydrophobicContact CB-CG1 3.51Å; K166-V177 HydrophobicContact CD-CG1 4.12Å; K166-V177 HydrophobicContact CG-CG1 4.16Å; K168-V177 HydrophobicContact CB-CG2 4.44Å; K168-V177 HydrophobicContact CG-CG1 4.04Å; K168-V177 HydrophobicContact CG-CG2 3.93Å
178Y81Confident81Confident50 Ų5083.5 Ų83.520%0.19646%0.464CS..EExtended strand (participates in β ladder)trans-117.3136.8-175.6-62.2-84.9000111.2H167 K176 K180 H183 L184 H187H167-Y178 WeakPolarHBondContact CB-O 3.47Å; H167-Y178 PolarHBondContact N-O 3.45Å; H167-Y178 PolarHBondContact O-N 2.7Å; K176-Y178 HydrophobicContact CB-CE2 3.65Å; K176-Y178 WeakPolarHBondContact CD-OH 3.25Å; Y178-K180 PolarHBondContact O-N 3.18Å; Y178-H183 HydrophobicContact CD1-CB 3.61Å; Y178-H183 HydrophobicContact CE1-CB 4.42Å; Y178-H183 HydrophobicContact CG-CB 4.03Å; Y178-L184 HydrophobicContact CD2-CB 4.07Å; Y178-L184 HydrophobicContact CD2-CD1 3.86Å; Y178-L184 HydrophobicContact CE2-CD1 4.26Å; Y178-L184 HydrophobicContact CG-CB 4.41Å; Y178-H187 HydrophobicContact CD2-CB 4.48Å; Y178-H187 HydrophobicContact CE1-CB 4.31Å; Y178-H187 HydrophobicContact CE2-CB 3.63Å; Y178-H187 AromaticContact CE2-CD2 3.33Å; Y178-H187 WeakPolarHBondContact CE2-CD2 3.18Å; Y178-H187 AromaticContact CE2-CG 3.52Å; Y178-H187 AromaticContact CZ-CD2 3.83Å; Y178-H187 AromaticContact CZ-CG 3.54Å; Y178-H187 WeakPolarHBondContact OH-CB 3.05Å; Y178-H187 PolarHBondContact OH-ND1 3.48Å
179G80.9Confident80.8Confident69 Ų6981.5 Ų81.571%0.71145%0.454SS*.SBendtrans-75.4-6.617500000114.5
180K79.3Confident80.5Confident130 Ų13085.1 Ų85.157%0.56548%0.475SS*.SBendtrans-136.5137.5180-64.6-176.2-179-178.80110.6Y178 S182 H183 L184Y178-K180 PolarHBondContact O-N 3.18Å; K180-S182 VanDerWaalsContact C-N 3.28Å; K180-S182 PolarHBondContact O-N 3.17Å; K180-H183 PolarHBondContact O-N 3.05Å; K180-H183 VanDerWaalsContact O-N 3.13Å; K180-L184 PolarHBondContact O-N 2.8Å
181S81.6Confident80.4Confident66 Ų6679.2 Ų79.246%0.46245%0.448SS..Hα-helixtrans-59.1-39.3178.7-173.40000112.2H167 H183 L184 K185H167-S181 VanDerWaalsContact CD2-CA 3.49Å; H167-S181 WeakPolarHBondContact CD2-CA 3.41Å; H167-S181 PolarHBondContact CD2-N 3.25Å; H167-S181 VanDerWaalsContact CE1-CB 3.43Å; H167-S181 WeakPolarHBondContact CE1-CB 3.35Å; H167-S181 WeakPolarHBondContact NE2-CB 3.46Å; H167-S181 PolarHBondContact NE2-N 2.88Å; H167-S181 VanDerWaalsContact NE2-N 3.16Å; S181-H183 VanDerWaalsContact C-N 3.26Å; S181-H183 PolarHBondContact O-N 3.45Å; S181-L184 PolarHBondContact O-N 3.26Å; S181-L184 VanDerWaalsContact O-N 3.13Å; S181-K185 PolarHBondContact O-N 3.23Å
182S80.1Confident80.1Confident77 Ų7777.5 Ų77.554%0.53845%0.451SS..Hα-helixtrans-59-36.6177.655.60000112.9K180 A186K180-S182 VanDerWaalsContact C-N 3.28Å; K180-S182 PolarHBondContact O-N 3.17Å; S182-A186 WeakPolarHBondContact O-CB 3.35Å; S182-A186 PolarHBondContact O-N 2.71Å
183H80.7Confident79.6Confident97 Ų9775.7 Ų75.745%0.44944%0.441SS..Hα-helixtrans-72.9-38.7177-64.7-179.2000111.8Y178 K180 S181 A186 H187Y178-H183 HydrophobicContact CD1-CB 3.61Å; Y178-H183 HydrophobicContact CE1-CB 4.42Å; Y178-H183 HydrophobicContact CG-CB 4.03Å; K180-H183 PolarHBondContact O-N 3.05Å; K180-H183 VanDerWaalsContact O-N 3.13Å; S181-H183 VanDerWaalsContact C-N 3.26Å; S181-H183 PolarHBondContact O-N 3.45Å; H183-A186 PolarHBondContact O-N 3.17Å; H183-H187 WeakPolarHBondContact O-CB 3.49Å; H183-H187 PolarHBondContact O-N 2.82Å
184L84.4Confident79.2Confident23 Ų2377 Ų7712%0.1242%0.422CS..Hα-helixtrans-62.5-48.1172.8176.865.9000110.7H167 K168 C169 Y178 K180 S181 A186 H187 L188H167-L184 HydrophobicContact CB-CB 3.69Å; H167-L184 HydrophobicContact CB-CD2 3.66Å; H167-L184 HydrophobicContact CB-CG 4.23Å; K168-L184 WeakPolarHBondContact O-CD2 3.47Å; C169-L184 HydrophobicContact CB-CD1 4.07Å; Y178-L184 HydrophobicContact CD2-CB 4.07Å; Y178-L184 HydrophobicContact CD2-CD1 3.86Å; Y178-L184 HydrophobicContact CE2-CD1 4.26Å; Y178-L184 HydrophobicContact CG-CB 4.41Å; K180-L184 PolarHBondContact O-N 2.8Å; S181-L184 PolarHBondContact O-N 3.26Å; S181-L184 VanDerWaalsContact O-N 3.13Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 3.07Å; L184-H187 CarbonylContact O-C 3.53Å; L184-H187 WeakPolarHBondContact O-CA 3.42Å; L184-H187 WeakPolarHBondContact O-CB 3.45Å; L184-H187 PolarHBondContact O-N 3.49Å; L184-L188 HydrophobicContact CD1-CD1 4.48Å; L184-L188 HydrophobicContact CD1-CG 4.21Å; L184-L188 HydrophobicContact CG-CD1 4.1Å; L184-L188 HydrophobicContact CG-CG 4.28Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.36Å
185K80Confident78.8Confident139 Ų13982.9 Ų82.960%0.60444%0.442SS*.Hα-helixtrans-58.1-42.9178.1-177.1173.6-83.1-172.80111.5S181 H187 L188 R189S181-K185 PolarHBondContact O-N 3.23Å; K185-H187 VanDerWaalsContact C-N 3.32Å; K185-H187 PolarHBondContact O-N 3.26Å; K185-L188 PolarHBondContact O-N 2.76Å; K185-R189 PolarHBondContact O-N 2.87Å
186A78.3Confident78.6Confident19 Ų1977.8 Ų77.816%0.15743%0.425CS..Hα-helixtrans-66.4-33.9175.300000112.9S182 H183 L184 R210S182-A186 WeakPolarHBondContact O-CB 3.35Å; S182-A186 PolarHBondContact O-N 2.71Å; H183-A186 PolarHBondContact O-N 3.17Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 3.07Å; A186-R210 HydrophobicContact CB-CG 4.05Å
187H82.7Confident78.1Confident11 Ų1174.4 Ų74.45%0.05141%0.411CS..Hα-helixtrans-70.9-39.8173.9168.553.6000112.4C169 C174 Y178 H183 L184 K185 R189 T190 H191C169-H187 PolarHBondContact SG-NE2 2.93Å; C174-H187 PolarHBondContact SG-CE1 3.5Å; C174-H187 PolarHBondContact SG-NE2 3.49Å; Y178-H187 HydrophobicContact CD2-CB 4.48Å; Y178-H187 HydrophobicContact CE1-CB 4.31Å; Y178-H187 HydrophobicContact CE2-CB 3.63Å; Y178-H187 AromaticContact CE2-CD2 3.33Å; Y178-H187 WeakPolarHBondContact CE2-CD2 3.18Å; Y178-H187 AromaticContact CE2-CG 3.52Å; Y178-H187 AromaticContact CZ-CD2 3.83Å; Y178-H187 AromaticContact CZ-CG 3.54Å; Y178-H187 WeakPolarHBondContact OH-CB 3.05Å; Y178-H187 PolarHBondContact OH-ND1 3.48Å; H183-H187 WeakPolarHBondContact O-CB 3.49Å; H183-H187 PolarHBondContact O-N 2.82Å; L184-H187 CarbonylContact O-C 3.53Å; L184-H187 WeakPolarHBondContact O-CA 3.42Å; L184-H187 WeakPolarHBondContact O-CB 3.45Å; L184-H187 PolarHBondContact O-N 3.49Å; K185-H187 VanDerWaalsContact C-N 3.32Å; K185-H187 PolarHBondContact O-N 3.26Å; H187-R189 PolarHBondContact O-N 3.3Å; H187-T190 PolarHBondContact ND1-OG1 3.32Å; H187-T190 WeakPolarHBondContact O-CA 3.33Å; H187-T190 VanDerWaalsContact O-CB 3.3Å; H187-T190 WeakPolarHBondContact O-CB 3.25Å; H187-T190 PolarHBondContact O-N 2.98Å; H187-T190 PolarHBondContact O-OG1 3.04Å; H187-H191 AromaticContact CE1-CD2 3.75Å; H187-H191 AromaticContact CE1-NE2 3.21Å; H187-H191 PolarHBondContact CE1-NE2 2.78Å; H187-H191 AromaticContact NE2-CD2 3.67Å; H187-H191 AromaticContact NE2-NE2 3.16Å; H187-H191 PolarHBondContact NE2-NE2 2.76Å; H187-H191 VanDerWaalsContact NE2-NE2 3.16Å
188L79.9Confident77.7Confident69 Ų6973.2 Ų73.236%0.36141%0.408SS..Hα-helixtrans-59-31.4177.6-71.6171.2000112.1L184 K185 T190 H191 T192L184-L188 HydrophobicContact CD1-CD1 4.48Å; L184-L188 HydrophobicContact CD1-CG 4.21Å; L184-L188 HydrophobicContact CG-CD1 4.1Å; L184-L188 HydrophobicContact CG-CG 4.28Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.36Å; K185-L188 PolarHBondContact O-N 2.76Å; L188-T190 PolarHBondContact O-N 3.42Å; L188-H191 WeakPolarHBondContact O-CA 3.5Å; L188-H191 WeakPolarHBondContact O-CB 3.46Å; L188-H191 PolarHBondContact O-N 3.39Å; L188-T192 PolarHBondContact O-N 3.28Å; L188-T192 VanDerWaalsContact O-N 3.11Å
189R76.4Confident77.6Confident77 Ų7771.4 Ų71.429%0.29140%0.403SS..Hα-helixtrans-59.6-24.7171.4-66.1-179.4-179.9164-1.2114K185 H187 H191 T192 G193 E194 A209K185-R189 PolarHBondContact O-N 2.87Å; H187-R189 PolarHBondContact O-N 3.3Å; R189-H191 VanDerWaalsContact C-N 3.28Å; R189-T192 WeakPolarHBondContact CA-OG1 3.36Å; R189-G193 PolarHBondContact O-N 3.47Å; R189-G193 VanDerWaalsContact O-N 3.13Å; R189-E194 PolarHBondContact O-N 3.19Å; R189-A209 HydrophobicContact CB-CB 4.28Å; R189-A209 WeakPolarHBondContact CD-O 3.46Å; R189-A209 PolarHBondContact NH1-O 2.85Å
190T77.4Confident77.2Confident86 Ų8671.8 Ų71.853%0.52840%0.395SS..Hα-helixtrans-74.4-21.7174.269.10000112.7H187 L188H187-T190 PolarHBondContact ND1-OG1 3.32Å; H187-T190 WeakPolarHBondContact O-CA 3.33Å; H187-T190 VanDerWaalsContact O-CB 3.3Å; H187-T190 WeakPolarHBondContact O-CB 3.25Å; H187-T190 PolarHBondContact O-N 2.98Å; H187-T190 PolarHBondContact O-OG1 3.04Å; L188-T190 PolarHBondContact O-N 3.42Å
191H79.3Confident76.8Confident47 Ų4770 Ų7022%0.21838%0.384CS..Hα-helixtrans-86.9-39174.2-71.7-61.5000112.4C169 Y171 C174 H187 L188 R189 G193C169-H191 PolarHBondContact SG-NE2 2.98Å; C169-H191 VanDerWaalsContact SG-NE2 3.43Å; Y171-H191 HydrophobicContact CD1-CB 4.35Å; Y171-H191 AromaticContact CD1-CE1 3.45Å; Y171-H191 VanDerWaalsContact CD1-CE1 3.45Å; Y171-H191 WeakPolarHBondContact CD1-CE1 3.46Å; Y171-H191 AromaticContact CD1-CG 3.74Å; Y171-H191 AromaticContact CD1-ND1 3.12Å; Y171-H191 WeakPolarHBondContact CD1-ND1 3.47Å; Y171-H191 HydrophobicContact CD2-CB 3.57Å; Y171-H191 AromaticContact CD2-CG 3.65Å; Y171-H191 AromaticContact CD2-ND1 3.92Å; Y171-H191 HydrophobicContact CE1-CB 4.4Å; Y171-H191 AromaticContact CE1-ND1 3.48Å; Y171-H191 WeakPolarHBondContact CE1-ND1 3.49Å; Y171-H191 HydrophobicContact CE2-CB 3.65Å; Y171-H191 HydrophobicContact CG-CB 3.92Å; Y171-H191 AromaticContact CG-CD2 3.85Å; Y171-H191 AromaticContact CG-CE1 3.69Å; Y171-H191 AromaticContact CG-CG 3.44Å; Y171-H191 VanDerWaalsContact CG-CG 3.44Å; Y171-H191 AromaticContact CG-ND1 3.35Å; Y171-H191 VanDerWaalsContact CG-ND1 3.35Å; C174-H191 WeakPolarHBondContact CB-NE2 3.27Å; C174-H191 PolarHBondContact SG-NE2 3.42Å; C174-H191 VanDerWaalsContact SG-NE2 3.37Å; H187-H191 AromaticContact CE1-CD2 3.75Å; H187-H191 AromaticContact CE1-NE2 3.21Å; H187-H191 PolarHBondContact CE1-NE2 2.78Å; H187-H191 AromaticContact NE2-CD2 3.67Å; H187-H191 AromaticContact NE2-NE2 3.16Å; H187-H191 PolarHBondContact NE2-NE2 2.76Å; H187-H191 VanDerWaalsContact NE2-NE2 3.16Å; L188-H191 WeakPolarHBondContact O-CA 3.5Å; L188-H191 WeakPolarHBondContact O-CB 3.46Å; L188-H191 PolarHBondContact O-N 3.39Å; R189-H191 VanDerWaalsContact C-N 3.28Å; H191-G193 VanDerWaalsContact C-N 3.26Å; H191-G193 PolarHBondContact O-N 3.31Å
192T72.9Confident76.3Confident88 Ų8875.6 Ų75.654%0.5440%0.403SS..Hα-helixtrans-77-13.2177.658.80000113.1L188 R189 E194L188-T192 PolarHBondContact O-N 3.28Å; L188-T192 VanDerWaalsContact O-N 3.11Å; R189-T192 WeakPolarHBondContact CA-OG1 3.36Å; T192-E194 PolarHBondContact O-N 3.45Å
193G71.2Confident76Confident56 Ų5678.2 Ų78.258%0.57741%0.411SS*.  trans714.1-176.900000113.7R189 H191 R195R189-G193 PolarHBondContact O-N 3.47Å; R189-G193 VanDerWaalsContact O-N 3.13Å; H191-G193 VanDerWaalsContact C-N 3.26Å; H191-G193 PolarHBondContact O-N 3.31Å; G193-R195 PolarHBondContact O-N 3.13Å
194E69.9Low75.7Confident122 Ų12274.1 Ų74.157%0.5739%0.393SS*.  trans-69.9116.9-179.5-68.8-178.1160.800110.6R189 T192 P196R189-E194 PolarHBondContact O-N 3.19Å; T192-E194 PolarHBondContact O-N 3.45Å; E194-P196 VanDerWaalsContact C-CD 3.44Å; E194-P196 VanDerWaalsContact O-CD 3.27Å; E194-P196 WeakPolarHBondContact O-CD 2.95Å
195R73.2Confident75.2Confident139 Ų13980.2 Ų80.253%0.52543%0.426SS..  trans-118.277177.1-63.8167.879.1169.96.8109.1G193 F197 K207 F208G193-R195 PolarHBondContact O-N 3.13Å; R195-F197 PolarHBondContact O-N 3.18Å; R195-K207 HydrophobicContact CB-CB 3.57Å; R195-K207 PolarHBondContact NE-O 3.17Å; R195-K207 PolarHBondContact NH2-O 3.47Å; R195-F208 CarbonylContact C-O 3.37Å; R195-F208 VanDerWaalsContact CA-O 3.32Å; R195-F208 WeakPolarHBondContact CA-O 3.25Å
196P74.6Confident75Confident80 Ų8079.2 Ų79.252%0.51942%0.422SS..  trans-69.7-17.5-175.126.3-33.2000113.3E194 A198E194-P196 VanDerWaalsContact C-CD 3.44Å; E194-P196 VanDerWaalsContact O-CD 3.27Å; E194-P196 WeakPolarHBondContact O-CD 2.95Å; P196-A198 PolarHBondContact O-N 3.22Å
197F71.8Confident75Confident45 Ų4584 Ų8420%0.19744%0.439CS..EExtended strand (participates in β ladder)trans-97.492.2-175.3-59.7-73.5000111.2R195 K207 F208 R210 L214R195-F197 PolarHBondContact O-N 3.18Å; F197-K207 CarbonylContact O-C 3.57Å; F197-K207 WeakPolarHBondContact O-CA 3.32Å; F197-F208 HydrophobicContact CB-CB 4.27Å; F197-F208 WeakPolarHBondContact CB-O 3.5Å; F197-F208 PolarHBondContact N-O 3.43Å; F197-F208 VanDerWaalsContact N-O 3.17Å; F197-F208 PolarHBondContact O-N 3.4Å; F197-R210 VanDerWaalsContact CD2-C 3.43Å; F197-L214 HydrophobicContact CB-CB 4Å; F197-L214 HydrophobicContact CB-CD2 3.71Å; F197-L214 HydrophobicContact CB-CG 4.46Å
198A76.3Confident74.7Confident47 Ų4785 Ų8539%0.38844%0.443SS..EExtended strand (participates in β ladder)trans-82.6145.6173.100000111.5P196 K207 L214P196-A198 PolarHBondContact O-N 3.22Å; A198-K207 HydrophobicContact CB-CG 4.2Å; A198-L214 VanDerWaalsContact O-CD2 3.27Å; A198-L214 WeakPolarHBondContact O-CD2 3.25Å
199C79.8Confident74.4Confident12 Ų1282.3 Ų82.38%0.08143%0.431CS..  trans-70.4130.2166.2-169.80000109.6W201 C204 K206 L214 H217 H221C199-W201 PolarHBondContact O-N 3.46Å; C199-W201 VanDerWaalsContact SG-CB 3.59Å; C199-C204 HydrophobicContact CB-CB 4.42Å; C199-C204 WeakPolarHBondContact CB-O 3.41Å; C199-K206 WeakPolarHBondContact CB-O 3.17Å; C199-K206 PolarHBondContact N-O 2.92Å; C199-L214 HydrophobicContact CB-CD1 3.96Å; C199-H217 PolarHBondContact SG-NE2 3.12Å; C199-H221 VanDerWaalsContact SG-CD2 3.55Å; C199-H221 PolarHBondContact SG-NE2 3.03Å
200S71.7Confident74.1Confident78 Ų7883.4 Ų83.455%0.54544%0.435SS..  trans-80-0.1178.355.30000113.7
201W70.2Confident74.1Confident92 Ų9280.8 Ų80.835%0.34842%0.42SS..  trans-80.2122.2179.9-157.9-80.7000108.9C199 D203 C204 Y218 H221C199-W201 PolarHBondContact O-N 3.46Å; C199-W201 VanDerWaalsContact SG-CB 3.59Å; W201-D203 VanDerWaalsContact C-N 3.29Å; W201-D203 VanDerWaalsContact NE1-CG 3.3Å; W201-D203 PolarHBondContact NE1-OD1 3.4Å; W201-D203 PolarHBondContact NE1-OD2 3.26Å; W201-D203 PolarHBondContact O-N 3.19Å; W201-C204 HydrophobicContact CB-CB 3.94Å; W201-C204 CarbonylContact O-C 3.4Å; W201-C204 WeakPolarHBondContact O-CA 3.36Å; W201-C204 PolarHBondContact O-N 3.02Å; W201-Y218 HydrophobicContact CE3-CE2 4.38Å; W201-H221 AromaticContact CD1-CE1 3.96Å; W201-H221 HydrophobicContact CD2-CB 3.83Å; W201-H221 AromaticContact CD2-CG 3.73Å; W201-H221 HydrophobicContact CE3-CB 3.58Å; W201-H221 AromaticContact CE3-CG 3.89Å; W201-H221 AromaticContact CG-CD2 3.85Å; W201-H221 AromaticContact CG-CE1 3.91Å; W201-H221 AromaticContact CG-CG 3.89Å; W201-H221 AromaticContact CG-ND1 4Å; W201-H221 AromaticContact CG-NE2 3.86Å; W201-H221 HydrophobicContact CH2-CB 4.15Å; W201-H221 HydrophobicContact CZ2-CB 4.37Å; W201-H221 HydrophobicContact CZ3-CB 3.75Å
202Q70.7Confident73.9Confident184 Ų18483.1 Ų83.186%0.8644%0.435SS*.THydrogen-bonded Turntrans-62.8-32.8-164.1-165.9175.6-2.600113.8C204Q202-C204 VanDerWaalsContact C-N 3.29Å
203D75.3Confident74Confident131 Ų13180.8 Ų80.870%0.70142%0.418SS*.THydrogen-bonded Turntrans-84.81.5173.840.7-55.8000112.9W201W201-D203 VanDerWaalsContact C-N 3.29Å; W201-D203 VanDerWaalsContact NE1-CG 3.3Å; W201-D203 PolarHBondContact NE1-OD1 3.4Å; W201-D203 PolarHBondContact NE1-OD2 3.26Å; W201-D203 PolarHBondContact O-N 3.19Å
204C74.5Confident74.5Confident12 Ų1278.3 Ų78.38%0.08139%0.391CS..  trans-126.292.5180-1540000113.8C199 W201 Q202 K206 H217 H221C199-C204 HydrophobicContact CB-CB 4.42Å; C199-C204 WeakPolarHBondContact CB-O 3.41Å; W201-C204 HydrophobicContact CB-CB 3.94Å; W201-C204 CarbonylContact O-C 3.4Å; W201-C204 WeakPolarHBondContact O-CA 3.36Å; W201-C204 PolarHBondContact O-N 3.02Å; Q202-C204 VanDerWaalsContact C-N 3.29Å; C204-K206 PolarHBondContact O-N 3.11Å; C204-H217 PolarHBondContact SG-CE1 3.46Å; C204-H217 PolarHBondContact SG-NE2 3.13Å; C204-H221 VanDerWaalsContact CB-CE1 3.45Å; C204-H221 WeakPolarHBondContact CB-CE1 3.46Å; C204-H221 WeakPolarHBondContact CB-NE2 3.3Å; C204-H221 VanDerWaalsContact SG-CE1 3.6Å
205N73.4Confident74.9Confident150 Ų15072.6 Ų72.680%0.80237%0.365SS*.  trans-80.928176.1-76.2-59.7000114.7
206K76.2Confident74.9Confident119 Ų11970.5 Ų70.552%0.51736%0.357SS..  trans-81.3123.7-177.4-68.9-179.7-167.2-73.50111.1C199 C204 F208C199-K206 WeakPolarHBondContact CB-O 3.17Å; C199-K206 PolarHBondContact N-O 2.92Å; C204-K206 PolarHBondContact O-N 3.11Å; K206-F208 HydrophobicContact CB-CE2 3.76Å; K206-F208 HydrophobicContact CB-CZ 3.86Å; K206-F208 HydrophobicContact CD-CZ 4.42Å
207K78.5Confident75.2Confident118 Ų11867.7 Ų67.751%0.51334%0.336SS..EExtended strand (participates in β ladder)trans-98.2153.4173.6-54.3-175.2179.8179.50111.2R195 F197 A198R195-K207 HydrophobicContact CB-CB 3.57Å; R195-K207 PolarHBondContact NE-O 3.17Å; R195-K207 PolarHBondContact NH2-O 3.47Å; F197-K207 CarbonylContact O-C 3.57Å; F197-K207 WeakPolarHBondContact O-CA 3.32Å; A198-K207 HydrophobicContact CB-CG 4.2Å
208F75.4Confident75.3Confident32 Ų3268.8 Ų68.814%0.1434%0.34CS..EExtended strand (participates in β ladder)trans-135.9151-179.4-61.9-86000110.6R195 F197 K206 E213 L214 H217R195-F208 CarbonylContact C-O 3.37Å; R195-F208 VanDerWaalsContact CA-O 3.32Å; R195-F208 WeakPolarHBondContact CA-O 3.25Å; F197-F208 HydrophobicContact CB-CB 4.27Å; F197-F208 WeakPolarHBondContact CB-O 3.5Å; F197-F208 PolarHBondContact N-O 3.43Å; F197-F208 VanDerWaalsContact N-O 3.17Å; F197-F208 PolarHBondContact O-N 3.4Å; K206-F208 HydrophobicContact CB-CE2 3.76Å; K206-F208 HydrophobicContact CB-CZ 3.86Å; K206-F208 HydrophobicContact CD-CZ 4.42Å; F208-E213 HydrophobicContact CB-CB 4.02Å; F208-E213 HydrophobicContact CD1-CB 3.78Å; F208-E213 HydrophobicContact CG-CB 4.13Å; F208-L214 HydrophobicContact CB-CB 4.24Å; F208-L214 HydrophobicContact CD2-CB 3.94Å; F208-L214 HydrophobicContact CD2-CD1 3.76Å; F208-L214 HydrophobicContact CD2-CG 4.44Å; F208-L214 HydrophobicContact CE2-CD1 4.01Å; F208-L214 HydrophobicContact CG-CB 4.3Å; F208-H217 HydrophobicContact CE1-CB 4.11Å; F208-H217 HydrophobicContact CE2-CB 3.7Å; F208-H217 AromaticContact CE2-CD2 3.25Å; F208-H217 WeakPolarHBondContact CE2-CD2 3.4Å; F208-H217 AromaticContact CE2-CG 3.53Å; F208-H217 HydrophobicContact CZ-CB 3.42Å; F208-H217 VanDerWaalsContact CZ-CB 3.42Å; F208-H217 AromaticContact CZ-CD2 3.52Å; F208-H217 AromaticContact CZ-CG 3.32Å; F208-H217 AromaticContact CZ-ND1 3.98Å
209A73.3Confident75.1Confident13 Ų1368 Ų6811%0.10733%0.327CS..SBendtrans-82.9-22.8179.900000112R189R189-A209 HydrophobicContact CB-CB 4.28Å; R189-A209 WeakPolarHBondContact CD-O 3.46Å; R189-A209 PolarHBondContact NH1-O 2.85Å
210R71.1Confident74.7Confident101 Ų10170.7 Ų70.738%0.38134%0.343SS..SBendtrans-126.6144.2-179.2-58.7-173.1-67.8157.6-6111.6A186 F197 D212 E213 L214A186-R210 HydrophobicContact CB-CG 4.05Å; F197-R210 VanDerWaalsContact CD2-C 3.43Å; R210-D212 VanDerWaalsContact C-N 3.31Å; R210-D212 PolarHBondContact O-N 3.2Å; R210-E213 HydrophobicContact CB-CB 4.44Å; R210-E213 HydrophobicContact CB-CG 4.02Å; R210-E213 IonicContact CZ-OE1 2.71Å; R210-E213 PolarHBondContact N-OE2 3.41Å; R210-E213 IonicContact NE-OE1 3.15Å; R210-E213 PolarHBondContact NE-OE1 2.56Å; R210-E213 IonicContact NH2-OE1 3.17Å; R210-E213 PolarHBondContact NH2-OE1 3.3Å; R210-E213 WeakPolarHBondContact O-CB 3.48Å; R210-E213 PolarHBondContact O-N 3.37Å; R210-L214 PolarHBondContact O-N 3.09Å
211S76.7Confident74.7Confident31 Ų3169.2 Ų69.222%0.21733%0.327CS..Hα-helixtrans-62.1-38.3175.655.60000112E213 L214 A215S211-E213 PolarHBondContact O-N 3.16Å; S211-L214 PolarHBondContact O-N 3.45Å; S211-A215 WeakPolarHBondContact O-CB 3.45Å; S211-A215 PolarHBondContact O-N 2.94Å
212D74.3Confident74.7Confident96 Ų9667.8 Ų67.851%0.51333%0.329SS..Hα-helixtrans-59.3-34.6176.2-56.2-37.9000112.5R210 R216R210-D212 VanDerWaalsContact C-N 3.31Å; R210-D212 PolarHBondContact O-N 3.2Å; D212-R216 VanDerWaalsContact O-CB 3.25Å; D212-R216 WeakPolarHBondContact O-CB 3.46Å; D212-R216 PolarHBondContact O-N 3.43Å
213E76.1Confident74.4Confident39 Ų3961.1 Ų61.118%0.18231%0.31CS..Hα-helixtrans-72.9-42178.9-66.9168.5171.800111.1F208 R210 S211 R216 H217F208-E213 HydrophobicContact CB-CB 4.02Å; F208-E213 HydrophobicContact CD1-CB 3.78Å; F208-E213 HydrophobicContact CG-CB 4.13Å; R210-E213 HydrophobicContact CB-CB 4.44Å; R210-E213 HydrophobicContact CB-CG 4.02Å; R210-E213 IonicContact CZ-OE1 2.71Å; R210-E213 PolarHBondContact N-OE2 3.41Å; R210-E213 IonicContact NE-OE1 3.15Å; R210-E213 PolarHBondContact NE-OE1 2.56Å; R210-E213 IonicContact NH2-OE1 3.17Å; R210-E213 PolarHBondContact NH2-OE1 3.3Å; R210-E213 WeakPolarHBondContact O-CB 3.48Å; R210-E213 PolarHBondContact O-N 3.37Å; S211-E213 PolarHBondContact O-N 3.16Å; E213-R216 PolarHBondContact O-N 3.21Å; E213-H217 WeakPolarHBondContact O-CB 3.32Å; E213-H217 PolarHBondContact O-N 3.24Å
214L82.3Confident73.7Confident4 Ų458.6 Ų58.62%0.02129%0.294CS..Hα-helixtrans-64.5-46.2174.117659.5000111.1L71 F197 A198 C199 F208 R210 S211 R216 H217 Y218L71-L214 HydrophobicContact CD1-CD2 3.57Å; L71-L214 HydrophobicContact CD1-CG 4.31Å; L71-L214 HydrophobicContact CD2-CD2 3.54Å; L71-L214 HydrophobicContact CG-CD2 4.2Å; F197-L214 HydrophobicContact CB-CB 4Å; F197-L214 HydrophobicContact CB-CD2 3.71Å; F197-L214 HydrophobicContact CB-CG 4.46Å; A198-L214 VanDerWaalsContact O-CD2 3.27Å; A198-L214 WeakPolarHBondContact O-CD2 3.25Å; C199-L214 HydrophobicContact CB-CD1 3.96Å; F208-L214 HydrophobicContact CB-CB 4.24Å; F208-L214 HydrophobicContact CD2-CB 3.94Å; F208-L214 HydrophobicContact CD2-CD1 3.76Å; F208-L214 HydrophobicContact CD2-CG 4.44Å; F208-L214 HydrophobicContact CE2-CD1 4.01Å; F208-L214 HydrophobicContact CG-CB 4.3Å; R210-L214 PolarHBondContact O-N 3.09Å; S211-L214 PolarHBondContact O-N 3.45Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.31Å; L214-H217 CarbonylContact O-C 3.5Å; L214-H217 WeakPolarHBondContact O-CA 3.17Å; L214-H217 WeakPolarHBondContact O-CB 3.27Å; L214-H217 PolarHBondContact O-N 3.19Å; L214-Y218 PolarHBondContact O-N 3.28Å
215A77.1Confident73.4Confident2 Ų263 Ų632%0.01731%0.312CS..Hα-helixtrans-61-39178.100000111.8V64 I67 S211 Y218 R219V64-A215 HydrophobicContact CG1-CB 4.39Å; V64-A215 HydrophobicContact CG2-CB 4.28Å; I67-A215 HydrophobicContact CG2-CB 4.37Å; S211-A215 WeakPolarHBondContact O-CB 3.45Å; S211-A215 PolarHBondContact O-N 2.94Å; A215-Y218 PolarHBondContact O-N 3.12Å; A215-R219 PolarHBondContact O-N 2.94Å
216R73.5Confident73.3Confident94 Ų9459.4 Ų59.436%0.35529%0.289SS..Hα-helixtrans-67.6-37.5173.3-179.4-179.562.4173.4-6.1112.2D212 E213 L214 R238D212-R216 VanDerWaalsContact O-CB 3.25Å; D212-R216 WeakPolarHBondContact O-CB 3.46Å; D212-R216 PolarHBondContact O-N 3.43Å; E213-R216 PolarHBondContact O-N 3.21Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.31Å; R216-R238 HydrophobicContact CG-CG 4.26Å; R216-R238 VanDerWaalsContact NH1-CZ 3.34Å; R216-R238 VanDerWaalsContact NH1-NH2 3.12Å
217H81Confident72.9Confident21 Ų2155.6 Ų55.610%0.09727%0.272CS..Hα-helixtrans-67.5-39.4174.5171.554.5000111.7C199 C204 F208 E213 L214 R219 T220 H221C199-H217 PolarHBondContact SG-NE2 3.12Å; C204-H217 PolarHBondContact SG-CE1 3.46Å; C204-H217 PolarHBondContact SG-NE2 3.13Å; F208-H217 HydrophobicContact CE1-CB 4.11Å; F208-H217 HydrophobicContact CE2-CB 3.7Å; F208-H217 AromaticContact CE2-CD2 3.25Å; F208-H217 WeakPolarHBondContact CE2-CD2 3.4Å; F208-H217 AromaticContact CE2-CG 3.53Å; F208-H217 HydrophobicContact CZ-CB 3.42Å; F208-H217 VanDerWaalsContact CZ-CB 3.42Å; F208-H217 AromaticContact CZ-CD2 3.52Å; F208-H217 AromaticContact CZ-CG 3.32Å; F208-H217 AromaticContact CZ-ND1 3.98Å; E213-H217 WeakPolarHBondContact O-CB 3.32Å; E213-H217 PolarHBondContact O-N 3.24Å; L214-H217 CarbonylContact O-C 3.5Å; L214-H217 WeakPolarHBondContact O-CA 3.17Å; L214-H217 WeakPolarHBondContact O-CB 3.27Å; L214-H217 PolarHBondContact O-N 3.19Å; H217-R219 PolarHBondContact O-N 2.89Å; H217-R219 VanDerWaalsContact O-N 3.16Å; H217-T220 PolarHBondContact ND1-OG1 2.91Å; H217-T220 WeakPolarHBondContact O-CB 3.34Å; H217-T220 PolarHBondContact O-N 3.48Å; H217-T220 PolarHBondContact O-OG1 3.03Å; H217-H221 AromaticContact CE1-CE1 3.97Å; H217-H221 AromaticContact CE1-NE2 3.51Å; H217-H221 AromaticContact NE2-NE2 3.24Å; H217-H221 PolarHBondContact NE2-NE2 3.38Å
218Y74.1Confident72.9Confident68 Ų6853.3 Ų53.327%0.26727%0.271SS..Hα-helixtrans-58.4-33.7178.3-163.9-95.4000112.4I67 W201 L214 A215 T220 H221 T222I67-Y218 HydrophobicContact CD1-CD1 3.68Å; I67-Y218 HydrophobicContact CD1-CE1 4.44Å; I67-Y218 HydrophobicContact CD1-CG 4.15Å; I67-Y218 HydrophobicContact CG1-CD1 4.23Å; W201-Y218 HydrophobicContact CE3-CE2 4.38Å; L214-Y218 PolarHBondContact O-N 3.28Å; A215-Y218 PolarHBondContact O-N 3.12Å; Y218-T220 PolarHBondContact O-N 3.24Å; Y218-T220 VanDerWaalsContact O-N 3.16Å; Y218-H221 WeakPolarHBondContact O-CB 3.43Å; Y218-H221 PolarHBondContact O-N 3.35Å; Y218-T222 HydrophobicContact CD1-CG2 3.98Å; Y218-T222 HydrophobicContact CE1-CG2 3.7Å; Y218-T222 PolarHBondContact O-N 2.87Å
219R71.7Confident73Confident30 Ų3051.9 Ų51.911%0.11327%0.265CS..Hα-helixtrans-62.4-20173.5-63175.3-166.9-167-2.6114.1S60 A215 H217 H221 T222 G223S60-R219 PolarHBondContact OG-NH1 3.48Å; S60-R219 PolarHBondContact OG-NH2 3.25Å; A215-R219 PolarHBondContact O-N 2.94Å; H217-R219 PolarHBondContact O-N 2.89Å; H217-R219 VanDerWaalsContact O-N 3.16Å; R219-H221 VanDerWaalsContact C-N 3.33Å; R219-T222 WeakPolarHBondContact CA-OG1 3.2Å; R219-T222 PolarHBondContact O-OG1 2.8Å; R219-G223 PolarHBondContact O-N 3.28Å
220T72.4Confident73.1Confident70 Ų7056.8 Ų56.843%0.42930%0.296SS..Hα-helixtrans-75.3-26.8174.367.70000112H217 Y218 M237H217-T220 PolarHBondContact ND1-OG1 2.91Å; H217-T220 WeakPolarHBondContact O-CB 3.34Å; H217-T220 PolarHBondContact O-N 3.48Å; H217-T220 PolarHBondContact O-OG1 3.03Å; Y218-T220 PolarHBondContact O-N 3.24Å; Y218-T220 VanDerWaalsContact O-N 3.16Å; T220-M237 HydrophobicContact CG2-CE 4.18Å; T220-M237 HydrophobicContact CG2-SD 4.07Å
221H71.6Confident73.3Confident46 Ų4656.1 Ų56.121%0.21330%0.299CS..Hα-helixtrans-77.8-41.3174.2-64.6-48.8000111.8C199 W201 C204 H217 Y218 R219 G223C199-H221 VanDerWaalsContact SG-CD2 3.55Å; C199-H221 PolarHBondContact SG-NE2 3.03Å; W201-H221 AromaticContact CD1-CE1 3.96Å; W201-H221 HydrophobicContact CD2-CB 3.83Å; W201-H221 AromaticContact CD2-CG 3.73Å; W201-H221 HydrophobicContact CE3-CB 3.58Å; W201-H221 AromaticContact CE3-CG 3.89Å; W201-H221 AromaticContact CG-CD2 3.85Å; W201-H221 AromaticContact CG-CE1 3.91Å; W201-H221 AromaticContact CG-CG 3.89Å; W201-H221 AromaticContact CG-ND1 4Å; W201-H221 AromaticContact CG-NE2 3.86Å; W201-H221 HydrophobicContact CH2-CB 4.15Å; W201-H221 HydrophobicContact CZ2-CB 4.37Å; W201-H221 HydrophobicContact CZ3-CB 3.75Å; C204-H221 VanDerWaalsContact CB-CE1 3.45Å; C204-H221 WeakPolarHBondContact CB-CE1 3.46Å; C204-H221 WeakPolarHBondContact CB-NE2 3.3Å; C204-H221 VanDerWaalsContact SG-CE1 3.6Å; H217-H221 AromaticContact CE1-CE1 3.97Å; H217-H221 AromaticContact CE1-NE2 3.51Å; H217-H221 AromaticContact NE2-NE2 3.24Å; H217-H221 PolarHBondContact NE2-NE2 3.38Å; Y218-H221 WeakPolarHBondContact O-CB 3.43Å; Y218-H221 PolarHBondContact O-N 3.35Å; R219-H221 VanDerWaalsContact C-N 3.33Å; H221-G223 PolarHBondContact O-N 3.46Å
222T69.9Low73.5Confident63 Ų6356.8 Ų56.839%0.38730%0.303SS..THydrogen-bonded Turntrans-75-8-179.662.20000114Y218 R219 E224Y218-T222 HydrophobicContact CD1-CG2 3.98Å; Y218-T222 HydrophobicContact CE1-CG2 3.7Å; Y218-T222 PolarHBondContact O-N 2.87Å; R219-T222 WeakPolarHBondContact CA-OG1 3.2Å; R219-T222 PolarHBondContact O-OG1 2.8Å; T222-E224 PolarHBondContact O-N 3.2Å
223G64.6Low73.6Confident44 Ų4460 Ų6045%0.45432%0.315SS..THydrogen-bonded Turntrans64.110.3178.700000114.8R219 H221 K225R219-G223 PolarHBondContact O-N 3.28Å; H221-G223 PolarHBondContact O-N 3.46Å; G223-K225 PolarHBondContact O-N 2.87Å
224E60.8Low73.6Confident78 Ų7864.1 Ų64.136%0.36433%0.332SS..  trans-71.291.5-174.1-69.4-166.4142.600111.8T222 K226T222-E224 PolarHBondContact O-N 3.2Å; E224-K226 PolarHBondContact O-N 3.27Å; E224-K226 WeakPolarHBondContact OE2-CE 3.4Å; E224-K226 IonicContact OE2-NZ 2.76Å; E224-K226 PolarHBondContact OE2-NZ 3.25Å
225K66.7Low73.3Confident104 Ų10471.5 Ų71.545%0.45236%0.36SS..  trans-85.388.3172.9-61.2171.2178.9177.10110.3G223 R235 F236 M237G223-K225 PolarHBondContact O-N 2.87Å; K225-R235 HydrophobicContact CB-CB 3.53Å; K225-R235 HydrophobicContact CD-CB 3.9Å; K225-R235 WeakPolarHBondContact CD-O 3.39Å; K225-R235 HydrophobicContact CG-CB 4.3Å; K225-R235 PolarHBondContact O-NE 3.03Å; K225-R235 VanDerWaalsContact O-NE 3.08Å; K225-R235 PolarHBondContact O-NH2 3.29Å; K225-F236 CarbonylContact C-O 3.37Å; K225-F236 WeakPolarHBondContact CA-O 3.45Å; K225-M237 HydrophobicContact CG-CG 3.79Å
226K72.1Confident73.1Confident75 Ų7573.4 Ų73.433%0.32637%0.368SS..  trans-79.3-19.1-177.2-61.7-175-177.1178.70114.3E224 F236E224-K226 PolarHBondContact O-N 3.27Å; E224-K226 WeakPolarHBondContact OE2-CE 3.4Å; E224-K226 IonicContact OE2-NZ 2.76Å; E224-K226 PolarHBondContact OE2-NZ 3.25Å; K226-F236 PolarHBondContact N-O 2.99Å
227F68.2Low72.9Confident39 Ų3971.9 Ų71.917%0.17137%0.366CS..EExtended strand (participates in β ladder)trans-110.3104.5-170.9-60.9-78.3000111.5R235 F236 R238 L242F227-R235 CarbonylContact O-C 3.5Å; F227-R235 WeakPolarHBondContact O-CA 3.48Å; F227-F236 HydrophobicContact CB-CB 4.26Å; F227-F236 WeakPolarHBondContact CB-O 3.45Å; F227-F236 PolarHBondContact N-O 3.46Å; F227-F236 PolarHBondContact O-N 3.37Å; F227-R238 VanDerWaalsContact CD2-C 3.43Å; F227-L242 HydrophobicContact CB-CB 4.09Å; F227-L242 HydrophobicContact CB-CD2 3.9Å
228S77.2Confident72.5Confident70 Ų7074.1 Ų74.149%0.4937%0.373SS..EExtended strand (participates in β ladder)trans-89.9143.9173.352.10000111.7K234 L242S228-K234 CarbonylContact C-O 3.49Å; S228-K234 WeakPolarHBondContact CA-O 3.49Å; S228-L242 WeakPolarHBondContact O-CD2 3.36Å
229C78.1Confident72.7Confident1 Ų173.7 Ų73.71%0.00738%0.38CS..  trans-76.2127.7168-177.30000110I231 E233 K234 F236 L242 H245 H249C229-I231 PolarHBondContact O-N 3.4Å; C229-I231 PolarHBondContact SG-N 3.16Å; C229-E233 WeakPolarHBondContact O-CA 3.47Å; C229-E233 PolarHBondContact O-N 2.88Å; C229-K234 PolarHBondContact N-O 3.13Å; C229-F236 HydrophobicContact CB-CE2 4.25Å; C229-L242 VanDerWaalsContact CA-CD1 3.48Å; C229-L242 HydrophobicContact CB-CD1 3.77Å; C229-H245 VanDerWaalsContact SG-CD2 3.55Å; C229-H245 PolarHBondContact SG-NE2 3.32Å; C229-H245 VanDerWaalsContact SG-NE2 3.43Å; C229-H249 VanDerWaalsContact SG-CD2 3.51Å
230P75.1Confident73.1Confident116 Ų11674.7 Ų74.775%0.75339%0.388SS*.THydrogen-bonded Turntrans-71-12.2178.228.4-34.4000113.6
231I75.8Confident73.5Confident87 Ų8775 Ų7545%0.44638%0.384SS..THydrogen-bonded Turntrans-98.4-36-174.4-60.3170.3000112C229 H249C229-I231 PolarHBondContact O-N 3.4Å; C229-I231 PolarHBondContact SG-N 3.16Å; I231-H249 HydrophobicContact CD1-CB 3.43Å; I231-H249 VanDerWaalsContact CD1-CB 3.43Å; I231-H249 HydrophobicContact CG2-CB 4.32Å
232C80.3Confident74Confident46 Ų4674.2 Ų74.231%0.31138%0.381SS..THydrogen-bonded Turntrans-134.310.5-177.171.30000113.5K234 H245 H249C232-K234 PolarHBondContact O-N 3.35Å; C232-K234 VanDerWaalsContact SG-CG 3.59Å; C232-H245 VanDerWaalsContact SG-CE1 3.52Å; C232-H245 PolarHBondContact SG-NE2 3.28Å; C232-H249 PolarHBondContact SG-NE2 3.13Å
233E76.6Confident74.6Confident162 Ų16274.6 Ų74.676%0.75738%0.384SS*.  trans60.14.1174.9-56.8-176.8177.500116C229 R235C229-E233 WeakPolarHBondContact O-CA 3.47Å; C229-E233 PolarHBondContact O-N 2.88Å; E233-R235 PolarHBondContact O-N 3.16Å
234K76.5Confident75.4Confident127 Ų12779 Ų7955%0.55239%0.39SS*.  trans-58.6127.7175.6-72.4-176.9-175.7-168.50110.7S228 C229 C232 F236S228-K234 CarbonylContact C-O 3.49Å; S228-K234 WeakPolarHBondContact CA-O 3.49Å; C229-K234 PolarHBondContact N-O 3.13Å; C232-K234 PolarHBondContact O-N 3.35Å; C232-K234 VanDerWaalsContact SG-CG 3.59Å; K234-F236 HydrophobicContact CB-CE2 3.77Å; K234-F236 HydrophobicContact CB-CZ 3.86Å; K234-F236 VanDerWaalsContact O-CD2 3.31Å; K234-F236 WeakPolarHBondContact O-CD2 3.12Å; K234-F236 VanDerWaalsContact O-CE2 3.22Å; K234-F236 WeakPolarHBondContact O-CE2 3.42Å
235R76.1Confident76.5Confident158 Ų15876.9 Ų76.960%0.59638%0.38SS*.EExtended strand (participates in β ladder)trans-95.6131.8-178.7-51.6-179.166.4123.3-1.6111.1K225 F227 E233K225-R235 HydrophobicContact CB-CB 3.53Å; K225-R235 HydrophobicContact CD-CB 3.9Å; K225-R235 WeakPolarHBondContact CD-O 3.39Å; K225-R235 HydrophobicContact CG-CB 4.3Å; K225-R235 PolarHBondContact O-NE 3.03Å; K225-R235 VanDerWaalsContact O-NE 3.08Å; K225-R235 PolarHBondContact O-NH2 3.29Å; F227-R235 CarbonylContact O-C 3.5Å; F227-R235 WeakPolarHBondContact O-CA 3.48Å; E233-R235 PolarHBondContact O-N 3.16Å
236F71.8Confident77.1Confident43 Ų4373.6 Ų73.619%0.18937%0.372CS..EExtended strand (participates in β ladder)trans-119.2146.4-178.7-59.8-84.1000110K225 K226 F227 C229 K234 R238 H241 L242 H245K225-F236 CarbonylContact C-O 3.37Å; K225-F236 WeakPolarHBondContact CA-O 3.45Å; K226-F236 PolarHBondContact N-O 2.99Å; F227-F236 HydrophobicContact CB-CB 4.26Å; F227-F236 WeakPolarHBondContact CB-O 3.45Å; F227-F236 PolarHBondContact N-O 3.46Å; F227-F236 PolarHBondContact O-N 3.37Å; C229-F236 HydrophobicContact CB-CE2 4.25Å; K234-F236 HydrophobicContact CB-CE2 3.77Å; K234-F236 HydrophobicContact CB-CZ 3.86Å; K234-F236 VanDerWaalsContact O-CD2 3.31Å; K234-F236 WeakPolarHBondContact O-CD2 3.12Å; K234-F236 VanDerWaalsContact O-CE2 3.22Å; K234-F236 WeakPolarHBondContact O-CE2 3.42Å; F236-R238 VanDerWaalsContact C-N 3.31Å; F236-H241 HydrophobicContact CB-CB 4.26Å; F236-H241 HydrophobicContact CD1-CB 3.88Å; F236-H241 HydrophobicContact CG-CB 4.31Å; F236-L242 HydrophobicContact CB-CB 4.35Å; F236-L242 HydrophobicContact CD2-CB 3.95Å; F236-L242 HydrophobicContact CD2-CD1 3.91Å; F236-L242 HydrophobicContact CE2-CD1 4.1Å; F236-L242 HydrophobicContact CG-CB 4.32Å; F236-H245 HydrophobicContact CE1-CB 4.04Å; F236-H245 HydrophobicContact CE2-CB 3.95Å; F236-H245 AromaticContact CE2-CD2 3.37Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.3Å; F236-H245 AromaticContact CE2-CG 3.62Å; F236-H245 AromaticContact CE2-NE2 3.95Å; F236-H245 HydrophobicContact CZ-CB 3.52Å; F236-H245 AromaticContact CZ-CD2 3.45Å; F236-H245 VanDerWaalsContact CZ-CD2 3.45Å; F236-H245 WeakPolarHBondContact CZ-CD2 3.45Å; F236-H245 AromaticContact CZ-CG 3.21Å; F236-H245 AromaticContact CZ-ND1 3.61Å; F236-H245 AromaticContact CZ-NE2 3.91Å
237M71.3Confident77.6Confident62 Ų6278 Ų7831%0.30539%0.387SS..SBendtrans-78.6-18175.4-64.6179.1-80.900112.6T220 K225T220-M237 HydrophobicContact CG2-CE 4.18Å; T220-M237 HydrophobicContact CG2-SD 4.07Å; K225-M237 HydrophobicContact CG-CG 3.79Å
238R70.7Confident77.9Confident68 Ų6885 Ų8526%0.25741%0.412SS..SBendtrans-133.6143.7-177.6-56164.441.9174.12.8111.7R216 F227 F236 D240 H241 L242R216-R238 HydrophobicContact CG-CG 4.26Å; R216-R238 VanDerWaalsContact NH1-CZ 3.34Å; R216-R238 VanDerWaalsContact NH1-NH2 3.12Å; F227-R238 VanDerWaalsContact CD2-C 3.43Å; F236-R238 VanDerWaalsContact C-N 3.31Å; R238-D240 VanDerWaalsContact C-N 3.33Å; R238-D240 WeakPolarHBondContact CB-OD1 3.36Å; R238-D240 IonicContact CZ-OD1 3.35Å; R238-D240 IonicContact CZ-OD2 3.33Å; R238-D240 IonicContact NE-OD1 2.75Å; R238-D240 PolarHBondContact NE-OD1 2.83Å; R238-D240 IonicContact NE-OD2 3.59Å; R238-D240 IonicContact NH2-OD1 3.82Å; R238-D240 PolarHBondContact NH2-OD1 3.07Å; R238-D240 VanDerWaalsContact NH2-OD1 3.17Å; R238-D240 IonicContact NH2-OD2 2.8Å; R238-D240 PolarHBondContact NH2-OD2 3.13Å; R238-D240 PolarHBondContact O-N 3.26Å; R238-H241 VanDerWaalsContact CD-CD2 3.42Å; R238-H241 WeakPolarHBondContact CD-CD2 3.43Å; R238-H241 VanDerWaalsContact CD-NE2 3.35Å; R238-H241 WeakPolarHBondContact CD-NE2 3.31Å; R238-H241 PolarHBondContact NE-NE2 3.23Å; R238-H241 PolarHBondContact NH1-NE2 2.8Å; R238-H241 PolarHBondContact O-N 3.21Å; R238-L242 PolarHBondContact O-N 3.01Å
239S79.9Confident77.8Confident59 Ų5983.1 Ų83.141%0.41340%0.396SS..Hα-helixtrans-63.9-36.5177.8560000112.2H241 L242 T243S239-H241 VanDerWaalsContact C-N 3.32Å; S239-H241 PolarHBondContact O-N 3.42Å; S239-L242 WeakPolarHBondContact O-CB 3.27Å; S239-L242 PolarHBondContact O-N 3.34Å; S239-T243 PolarHBondContact O-N 2.89Å; S239-T243 PolarHBondContact O-OG1 3.15Å; S239-T243 VanDerWaalsContact O-OG1 3.07Å
240D78.8Confident77.4Confident51 Ų5185.9 Ų85.927%0.27342%0.419SS..Hα-helixtrans-67.7-32.517969.3-60.7000112.6R238 T243 K244R238-D240 VanDerWaalsContact C-N 3.33Å; R238-D240 WeakPolarHBondContact CB-OD1 3.36Å; R238-D240 IonicContact CZ-OD1 3.35Å; R238-D240 IonicContact CZ-OD2 3.33Å; R238-D240 IonicContact NE-OD1 2.75Å; R238-D240 PolarHBondContact NE-OD1 2.83Å; R238-D240 IonicContact NE-OD2 3.59Å; R238-D240 IonicContact NH2-OD1 3.82Å; R238-D240 PolarHBondContact NH2-OD1 3.07Å; R238-D240 VanDerWaalsContact NH2-OD1 3.17Å; R238-D240 IonicContact NH2-OD2 2.8Å; R238-D240 PolarHBondContact NH2-OD2 3.13Å; R238-D240 PolarHBondContact O-N 3.26Å; D240-T243 PolarHBondContact O-N 2.81Å; D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 VanDerWaalsContact O-CG 3.31Å; D240-K244 WeakPolarHBondContact O-CG 3.4Å; D240-K244 PolarHBondContact O-N 2.94Å
241H80.3Confident76.8Confident76 Ų7686.8 Ų86.835%0.35242%0.417SS..Hα-helixtrans-67.5-43.2171.1-67.7-48.8000111.4F236 R238 S239 T243 K244 H245F236-H241 HydrophobicContact CB-CB 4.26Å; F236-H241 HydrophobicContact CD1-CB 3.88Å; F236-H241 HydrophobicContact CG-CB 4.31Å; R238-H241 VanDerWaalsContact CD-CD2 3.42Å; R238-H241 WeakPolarHBondContact CD-CD2 3.43Å; R238-H241 VanDerWaalsContact CD-NE2 3.35Å; R238-H241 WeakPolarHBondContact CD-NE2 3.31Å; R238-H241 PolarHBondContact NE-NE2 3.23Å; R238-H241 PolarHBondContact NH1-NE2 2.8Å; R238-H241 PolarHBondContact O-N 3.21Å; S239-H241 VanDerWaalsContact C-N 3.32Å; S239-H241 PolarHBondContact O-N 3.42Å; H241-T243 VanDerWaalsContact C-N 3.34Å; H241-T243 PolarHBondContact O-N 2.97Å; H241-K244 PolarHBondContact O-N 3.06Å; H241-H245 WeakPolarHBondContact O-CB 3.32Å; H241-H245 PolarHBondContact O-N 3.5Å
242L83Confident76.1Confident30 Ų3090.5 Ų90.516%0.15743%0.43CS..Hα-helixtrans-59.3-45.8172.7171.362.4000110.9F227 S228 C229 F236 R238 S239 K244 H245 A246F227-L242 HydrophobicContact CB-CB 4.09Å; F227-L242 HydrophobicContact CB-CD2 3.9Å; S228-L242 WeakPolarHBondContact O-CD2 3.36Å; C229-L242 VanDerWaalsContact CA-CD1 3.48Å; C229-L242 HydrophobicContact CB-CD1 3.77Å; F236-L242 HydrophobicContact CB-CB 4.35Å; F236-L242 HydrophobicContact CD2-CB 3.95Å; F236-L242 HydrophobicContact CD2-CD1 3.91Å; F236-L242 HydrophobicContact CE2-CD1 4.1Å; F236-L242 HydrophobicContact CG-CB 4.32Å; R238-L242 PolarHBondContact O-N 3.01Å; S239-L242 WeakPolarHBondContact O-CB 3.27Å; S239-L242 PolarHBondContact O-N 3.34Å; L242-K244 PolarHBondContact O-N 2.83Å; L242-H245 CarbonylContact O-C 3.59Å; L242-H245 WeakPolarHBondContact O-CB 3.37Å; L242-H245 PolarHBondContact O-N 2.75Å; L242-A246 VanDerWaalsContact O-CB 3.25Å; L242-A246 WeakPolarHBondContact O-CB 3.46Å; L242-A246 PolarHBondContact O-N 3.35Å
243T81.9Confident74.9Confident70 Ų7093.4 Ų93.443%0.42944%0.439SS..Hα-helixtrans-61.4-46.2178.8-60.90000111.5S239 D240 H241 H245 A246 R247S239-T243 PolarHBondContact O-N 2.89Å; S239-T243 PolarHBondContact O-OG1 3.15Å; S239-T243 VanDerWaalsContact O-OG1 3.07Å; D240-T243 PolarHBondContact O-N 2.81Å; H241-T243 VanDerWaalsContact C-N 3.34Å; H241-T243 PolarHBondContact O-N 2.97Å; T243-H245 VanDerWaalsContact C-N 3.3Å; T243-H245 PolarHBondContact O-N 2.73Å; T243-A246 PolarHBondContact O-N 3.38Å; T243-R247 WeakPolarHBondContact O-CG 3.39Å; T243-R247 PolarHBondContact O-N 3.01Å
244K82Confident73.7Confident138 Ų13891.8 Ų91.860%0.644%0.443SS*.Hα-helixtrans-61.8-40.5175.7-74.5177.6-178.2-176.50111.8D240 H241 L242 R247 R248D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 VanDerWaalsContact O-CG 3.31Å; D240-K244 WeakPolarHBondContact O-CG 3.4Å; D240-K244 PolarHBondContact O-N 2.94Å; H241-K244 PolarHBondContact O-N 3.06Å; L242-K244 PolarHBondContact O-N 2.83Å; K244-R247 PolarHBondContact O-N 3.33Å; K244-R248 PolarHBondContact O-N 2.99Å
245H84.1Confident72.6Confident32 Ų3288.9 Ų88.915%0.14845%0.449CS..Hα-helixtrans-66.9-44.1176.2171.374.6000112.4C229 C232 F236 H241 L242 T243 R247 R248 H249C229-H245 VanDerWaalsContact SG-CD2 3.55Å; C229-H245 PolarHBondContact SG-NE2 3.32Å; C229-H245 VanDerWaalsContact SG-NE2 3.43Å; C232-H245 VanDerWaalsContact SG-CE1 3.52Å; C232-H245 PolarHBondContact SG-NE2 3.28Å; F236-H245 HydrophobicContact CE1-CB 4.04Å; F236-H245 HydrophobicContact CE2-CB 3.95Å; F236-H245 AromaticContact CE2-CD2 3.37Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.3Å; F236-H245 AromaticContact CE2-CG 3.62Å; F236-H245 AromaticContact CE2-NE2 3.95Å; F236-H245 HydrophobicContact CZ-CB 3.52Å; F236-H245 AromaticContact CZ-CD2 3.45Å; F236-H245 VanDerWaalsContact CZ-CD2 3.45Å; F236-H245 WeakPolarHBondContact CZ-CD2 3.45Å; F236-H245 AromaticContact CZ-CG 3.21Å; F236-H245 AromaticContact CZ-ND1 3.61Å; F236-H245 AromaticContact CZ-NE2 3.91Å; H241-H245 WeakPolarHBondContact O-CB 3.32Å; H241-H245 PolarHBondContact O-N 3.5Å; L242-H245 CarbonylContact O-C 3.59Å; L242-H245 WeakPolarHBondContact O-CB 3.37Å; L242-H245 PolarHBondContact O-N 2.75Å; T243-H245 VanDerWaalsContact C-N 3.3Å; T243-H245 PolarHBondContact O-N 2.73Å; H245-R247 VanDerWaalsContact C-N 3.26Å; H245-R247 PolarHBondContact O-N 2.82Å; H245-R248 WeakPolarHBondContact O-CA 3.35Å; H245-R248 VanDerWaalsContact O-CB 3.28Å; H245-R248 WeakPolarHBondContact O-CB 3.36Å; H245-R248 PolarHBondContact O-N 3.26Å; H245-H249 AromaticContact CD2-CD2 3.86Å; H245-H249 AromaticContact CD2-NE2 3.75Å; H245-H249 AromaticContact CE1-CD2 3.96Å; H245-H249 AromaticContact CE1-NE2 3.25Å; H245-H249 PolarHBondContact CE1-NE2 2.88Å; H245-H249 VanDerWaalsContact CE1-NE2 3.25Å; H245-H249 AromaticContact NE2-CD2 3.47Å; H245-H249 PolarHBondContact NE2-CD2 3.16Å; H245-H249 AromaticContact NE2-NE2 2.89Å; H245-H249 PolarHBondContact NE2-NE2 2.95Å; H245-H249 PolarHBondContact O-N 2.86Å
246A80Confident71.6Confident35 Ų3588.6 Ų88.629%0.28946%0.456SS..Hα-helixtrans-62.8-33.2177.100000111.7L242 T243 R248 H249 A250L242-A246 VanDerWaalsContact O-CB 3.25Å; L242-A246 WeakPolarHBondContact O-CB 3.46Å; L242-A246 PolarHBondContact O-N 3.35Å; T243-A246 PolarHBondContact O-N 3.38Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 3.19Å; A246-H249 CarbonylContact O-C 3.51Å; A246-H249 WeakPolarHBondContact O-CA 3.48Å; A246-H249 WeakPolarHBondContact O-CB 3.43Å; A246-H249 PolarHBondContact O-N 3.24Å; A246-H249 VanDerWaalsContact O-N 3.09Å; A246-A250 PolarHBondContact O-N 2.93Å
247R81.4Confident70.8Confident169 Ų16994.7 Ų94.764%0.63849%0.49SS*.Hα-helixtrans-62-35.2170.7-72.1175.2-172.4-158.81112.6T243 K244 H245 H249 A250 N251T243-R247 WeakPolarHBondContact O-CG 3.39Å; T243-R247 PolarHBondContact O-N 3.01Å; K244-R247 PolarHBondContact O-N 3.33Å; H245-R247 VanDerWaalsContact C-N 3.26Å; H245-R247 PolarHBondContact O-N 2.82Å; R247-H249 VanDerWaalsContact C-N 3.25Å; R247-H249 PolarHBondContact O-N 3.15Å; R247-A250 WeakPolarHBondContact O-CB 3.49Å; R247-A250 PolarHBondContact O-N 3.26Å; R247-N251 VanDerWaalsContact O-CG 3.31Å; R247-N251 PolarHBondContact O-N 3.12Å; R247-N251 VanDerWaalsContact O-N 3.12Å; R247-N251 PolarHBondContact O-OD1 2.98Å
248R75Confident69.7Low184 Ų184100 Ų10069%0.69451%0.514SS*.Hα-helixtrans-64.1-34.6173.8-173.6-178.8-100.3-166.1-6.1111.1K244 H245 A246 F252K244-R248 PolarHBondContact O-N 2.99Å; H245-R248 WeakPolarHBondContact O-CA 3.35Å; H245-R248 VanDerWaalsContact O-CB 3.28Å; H245-R248 WeakPolarHBondContact O-CB 3.36Å; H245-R248 PolarHBondContact O-N 3.26Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 3.19Å; R248-F252 WeakPolarHBondContact O-CD2 3.47Å
249H74.6Confident68.5Low32 Ų32108.5 Ų108.515%0.14855%0.546CS..Hα-helixtrans-71.4-38.2171-67.3-62.3000112.7C229 I231 C232 H245 A246 R247 N251 F252 H253C229-H249 VanDerWaalsContact SG-CD2 3.51Å; I231-H249 HydrophobicContact CD1-CB 3.43Å; I231-H249 VanDerWaalsContact CD1-CB 3.43Å; I231-H249 HydrophobicContact CG2-CB 4.32Å; C232-H249 PolarHBondContact SG-NE2 3.13Å; H245-H249 AromaticContact CD2-CD2 3.86Å; H245-H249 AromaticContact CD2-NE2 3.75Å; H245-H249 AromaticContact CE1-CD2 3.96Å; H245-H249 AromaticContact CE1-NE2 3.25Å; H245-H249 PolarHBondContact CE1-NE2 2.88Å; H245-H249 VanDerWaalsContact CE1-NE2 3.25Å; H245-H249 AromaticContact NE2-CD2 3.47Å; H245-H249 PolarHBondContact NE2-CD2 3.16Å; H245-H249 AromaticContact NE2-NE2 2.89Å; H245-H249 PolarHBondContact NE2-NE2 2.95Å; H245-H249 PolarHBondContact O-N 2.86Å; A246-H249 CarbonylContact O-C 3.51Å; A246-H249 WeakPolarHBondContact O-CA 3.48Å; A246-H249 WeakPolarHBondContact O-CB 3.43Å; A246-H249 PolarHBondContact O-N 3.24Å; A246-H249 VanDerWaalsContact O-N 3.09Å; R247-H249 VanDerWaalsContact C-N 3.25Å; R247-H249 PolarHBondContact O-N 3.15Å; H249-N251 PolarHBondContact O-N 2.91Å; H249-F252 CarbonylContact O-C 3.55Å; H249-F252 PolarHBondContact O-N 2.87Å; H249-H253 WeakPolarHBondContact O-CA 3.42Å; H249-H253 PolarHBondContact O-N 3.09Å
250A69.6Low66.9Low59 Ų59117.9 Ų117.949%0.48857%0.572SS.*Hα-helixtrans-59.3-31.7176.600000112.4A246 R247 F252A246-A250 PolarHBondContact O-N 2.93Å; R247-A250 WeakPolarHBondContact O-CB 3.49Å; R247-A250 PolarHBondContact O-N 3.26Å; A250-F252 VanDerWaalsContact C-N 3.34Å
251N62.7Low65.3Low134 Ų134119 Ų11972%0.71760%0.596SS**THydrogen-bonded Turntrans-76-19.3175.3-61.7-16.3000113.6R247 H249R247-N251 VanDerWaalsContact O-CG 3.31Å; R247-N251 PolarHBondContact O-N 3.12Å; R247-N251 VanDerWaalsContact O-N 3.12Å; R247-N251 PolarHBondContact O-OD1 2.98Å; H249-N251 PolarHBondContact O-N 2.91Å
252F61.1Low63.5Low165 Ų165119.5 Ų119.572%0.72462%0.621SS**THydrogen-bonded Turntrans-111.6-18.4-177.7-88.5-86.8000113.9R248 H249 A250R248-F252 WeakPolarHBondContact O-CD2 3.47Å; H249-F252 CarbonylContact O-C 3.55Å; H249-F252 PolarHBondContact O-N 2.87Å; A250-F252 VanDerWaalsContact C-N 3.34Å
253H55.3Low61.5Low107 Ų107121.5 Ų121.550%0.49565%0.649SS.*  trans-141.785.1-177.2-98.6-84.1000110.1H249 G255H249-H253 WeakPolarHBondContact O-CA 3.42Å; H249-H253 PolarHBondContact O-N 3.09Å; H253-G255 PolarHBondContact O-N 2.72Å; H253-G255 VanDerWaalsContact O-N 3.09Å
254P52.2Low59.3Low129 Ų129124.1 Ų124.184%0.83867%0.671SS**THydrogen-bonded Turntrans-72.710.6175.4-1328.7000114.6
255G53.9Low57.8Low66 Ų66128.8 Ų128.868%0.6868%0.684SS**THydrogen-bonded Turntrans-136.91.3-155.900000119.8H253H253-G255 PolarHBondContact O-N 2.72Å; H253-G255 VanDerWaalsContact O-N 3.09Å
256M55.2Low56.1Low152 Ų152134.1 Ų134.175%0.74972%0.719SS**  trans-110.818-174.6-68.5-141.675.700115.5Q258M256-Q258 PolarHBondContact O-N 3.21Å
257L54Low54.3Low171 Ų171136.1 Ų136.190%0.89574%0.744SS**  trans-75.744.1174.9-148.994.4000112.5
258Q47.4Very low52.6Low174 Ų174133.2 Ų133.281%0.81375%0.749SS**  trans-15579.6177.1-144.593.448.900111.3M256M256-Q258 PolarHBondContact O-N 3.21Å
259R47.1Very low51.2Low246 Ų246132.8 Ų132.893%0.92876%0.759SS**  trans-159.594141.4-107.1168.1-153.9-72.31110.5
260R46.2Very low49.6Very low256 Ų256135.3 Ų135.397%0.96678%0.781SS**  trans-61.9131159-168.2177.7-173.3-112.44.3107.7
261G44.9Very low48.3Very low75 Ų75139.7 Ų139.777%0.77380%0.796SS**  trans134.1106.8157.700000115.8
262G42.7Very low47.2Very low85 Ų85144.4 Ų144.488%0.87681%0.806SS**  trans88.7135.613400000117.7
263G41.1Very low46.3Very low72 Ų72141.6 Ų141.674%0.74281%0.806SS**  trans112.380.614900000115.7R265G263-R265 PolarHBondContact O-N 3.2Å; G263-R265 VanDerWaalsContact O-N 3.16Å
264S34.5Very low45.7Very low126 Ų126148 Ų14888%0.88183%0.826SS**  trans-46.8115.1143.6-110.70000108.9
265R51.8Low45.7Very low236 Ų236147.2 Ų147.289%0.89182%0.824SS**  trans-139.3103.8154-72.4-164.2165.5-164.6-5.2108.8G263 G267G263-R265 PolarHBondContact O-N 3.2Å; G263-R265 VanDerWaalsContact O-N 3.16Å; R265-G267 PolarHBondContact O-N 2.96Å
266T47.7Very low45.3Very low144 Ų144150.5 Ų150.588%0.88383%0.826SS**  trans-40.5114.8162.448.70000110.7
267G41.5Very low44.6Very low77 Ų77147.9 Ų147.979%0.79483%0.828SS**  trans-106.8109.9170.300000108.8R265R265-G267 PolarHBondContact O-N 2.96Å
268S47.3Very low44.2Very low108 Ų108144.9 Ų144.976%0.75582%0.822SS**  trans-52.3151.4-179-173.40000113.4S270S268-S270 PolarHBondContact O-N 3.19Å; S268-S270 VanDerWaalsContact O-N 3.14Å
269L44.2Very low44.4Very low174 Ų174141.6 Ų141.691%0.91182%0.818SS**SBendtrans-60.4104.5167.3-67163.3000110.1
270S41.4Very low44.7Very low86 Ų86135.6 Ų135.660%0.60181%0.811SS**  trans-172.6153.2156.449.20000107S268S268-S270 PolarHBondContact O-N 3.19Å; S268-S270 VanDerWaalsContact O-N 3.14Å
271D41.8Very low44.7Very low150 Ų150129.8 Ų129.880%0.80280%0.804SS**  trans89.931.7170.9-44-58.1000118.8
272Y40.3Very low45.2Very low234 Ų234133.7 Ų133.792%0.91881%0.806SS**  trans-102.669.9146.1-170.1-104.5000109.5
273S41.1Very low45.8Very low106 Ų106134.7 Ų134.774%0.74180%0.799SS**SBendtrans-153.8123.9163.9-79.40000107.3
274R43.1Very low46.4Very low241 Ų241137.3 Ų137.391%0.90980%0.803SS**  trans8687.9-178.7-59.8175.9135.2155.9-4.7116.3
275S51.9Low47.4Very low113 Ų113136 Ų13679%0.7980%0.8SS**  trans-133.195.3130.1-50.30000107.1
276D47Very low47.7Very low134 Ų134130.4 Ų130.472%0.71780%0.797SS**  trans46.7104.3140.4-51.7-69.5000116.6
277A39.3Very low48.4Very low97 Ų97128.9 Ų128.980%0.80279%0.792SS**  43.26968.400000111.5
278S46.9Very low49.8Very low109 Ų109134.9 Ų134.976%0.76282%0.817SS**  trans-146.380.7152.7-68.40000108.1
279S50.7Low49.9Very low104 Ų104136.2 Ų136.273%0.72782%0.82SS**  trans-62.8127.7156.6-60.20000107.9T281S279-T281 PolarHBondContact O-N 3.35Å; S279-T281 VanDerWaalsContact O-N 3.16Å
280P53.8Low50.2Low121 Ų121134.2 Ų134.279%0.78682%0.815SS**  trans-78.596.4162.530.5-28000107.8
281T45Very low50.7Low134 Ų134136.9 Ų136.982%0.82283%0.827SS**  trans-87.296.7157.2-27.30000106.3S279S279-T281 PolarHBondContact O-N 3.35Å; S279-T281 VanDerWaalsContact O-N 3.16Å
282I56.8Low51.2Low157 Ų157136.1 Ų136.181%0.80583%0.829SS**  trans-126.8125.6166.3-59.6177.8000107.2
283S54.8Low51.9Low105 Ų105130 Ų13073%0.73482%0.823SS**  trans-53159-161.1-49.20000117.5A285S283-A285 PolarHBondContact O-N 3.07Å
284P54.3Low52.6Low127 Ų127131.6 Ų131.683%0.82583%0.828SS**  trans-73.2126.2166.531.8-30.9000109.4
285A55.7Low53.3Low100 Ų100123.8 Ų123.883%0.82682%0.823SS**  trans-98.7109.1165.800000108.4S283S283-A285 PolarHBondContact O-N 3.07Å
286S57.5Low53.4Low117 Ų117124.6 Ų124.682%0.81883%0.825SS**  trans-61.1138.5162.3-530000110.2
287S61.5Low54Low113 Ų113123.8 Ų123.879%0.7983%0.834SS**  trans-132.9147.6155.6-88.70000107.3
288P71.2Confident55.3Low202 Ų202126.3 Ų126.3100%1.31284%0.837SS**  trans-66.50-152.127.6-37.6000115.8

Retrieved 288 of 288 residues in 112.5 ms (Link to these results)