A0A096MP15_PAPAN Loading...

Dual specificity protein phosphatase

AlphaFold DB (A0A2K5MDT8), UniProt , Accession A0A096MP15, Species PAPAN (Papio anubis, Olive baboon), Gene DUSP7, Length 419 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M38Very low44.5Very low236 Ų236168.3 Ų168.3100%1.16388%0.877SS**  0120.40-83.3167.5166.800108.9
2K40.7Very low44Very low196 Ų196161.3 Ų161.385%0.85286%0.861SS**  trans64.1105.2155.8-59.3179178.1-179.70117.7
3N37.7Very low43.6Very low149 Ų149163.9 Ų163.980%0.79787%0.865SS**  69.4109.783.5-791.5000112.9
4Q45.3Very low43.1Very low177 Ų177164.4 Ų164.483%0.82786%0.863SS**  6112887.3-91.9-166.935.600115.2
5L47.3Very low42.6Very low162 Ų162161.7 Ų161.785%0.84886%0.863SS**  trans159.3103.4133.3-82.7157.2000109
6R48Very low42.2Very low252 Ų252159.3 Ų159.395%0.95186%0.856SS**  43.6119.591.2-92.8-170.5-175.3-136.61.7115.9
7G40.6Very low41.9Very low71 Ų71157.3 Ų157.373%0.73286%0.858SS**  trans-144.1148.7156.300000110.6
8P58.7Low41.4Very low129 Ų129152.8 Ų152.884%0.83885%0.854SS**  trans-108.8-176.6-149.742.2-31.2000114.4
9P51.6Low41Very low124 Ų124150.5 Ų150.581%0.80586%0.857SS**PPolyproline II helixtrans-95.8157.1-163.437.2-30.5000114
10A45.7Very low40.7Very low109 Ų109148.4 Ų148.490%0.90186%0.859SS**PPolyproline II helixtrans-91.6132171.700000111.4
11R36.2Very low40.4Very low246 Ų246146.3 Ų146.393%0.92886%0.859SS**PPolyproline II helixtrans-102.3156.8-174.8-156.5177.2178.8-170-0.7110.3
12A38Very low40.3Very low84 Ų84140 Ų14069%0.69484%0.844SS**PPolyproline II helixtrans-46.6157.1-175.300000118.8
13H38.5Very low39.8Very low196 Ų196134.7 Ų134.791%0.90785%0.845SS**  trans-136130.7143.5-103-82.5000111.5
14M36.8Very low39.4Very low170 Ų170131.6 Ų131.684%0.83785%0.849SS**  trans-72.5150.4172.1-63.7162.785.100110.9
15S36.2Very low38.9Very low124 Ų124130 Ų13087%0.86785%0.851SS**  trans-147.6116.7147.259.10000111
16T36.1Very low38.2Very low123 Ų123134.3 Ų134.376%0.75586%0.856SS**  trans-76.3143.9171.144.50000112.7
17S36.4Very low37.4Very low126 Ų126127.2 Ų127.288%0.88185%0.851SS**  trans159.3140.9143.658.80000108
18G33.1Very low36.9Very low77 Ų77126.9 Ų126.979%0.79485%0.848SS**  cis-179.6157.69.700000107.7
19A33.9Very low35.6Very low109 Ų109126.6 Ų126.690%0.90185%0.849SS**  trans-74.9153-178.800000113
20A34.7Very low34.6Very low108 Ų108129.5 Ų129.589%0.89385%0.852SS**  trans-155.6125.9147.900000110.6
21A34.7Very low34.4Very low104 Ų104130.6 Ų130.686%0.8685%0.85SS**  trans-106.6144172.800000109.8
22A35.3Very low34.1Very low104 Ų104122.6 Ų122.686%0.8684%0.844SS**  trans-176128.6153.400000105.7
23G30.7Very low33.7Very low85 Ų85124 Ų12488%0.87686%0.855SS**  cis99.3103.935.600000108.3
24G30.8Very low33.3Very low84 Ų84118.4 Ų118.487%0.86685%0.851SS**  trans172.988.2176.900000115.5
25T33.3Very low33Very low142 Ų142116.5 Ų116.587%0.87185%0.854SS**  trans-67.5147.7168.533.80000113.1
26R32.1Very low32.6Very low253 Ų253114.2 Ų114.296%0.95585%0.85SS**  trans-165129.8133.4-130.5175.2176.5-175.1-2.5114.2
27A32.5Very low32.3Very low103 Ų103114.4 Ų114.485%0.85186%0.857SS**  trans-85.2162.4166.100000111.6
28G30.5Very low31.9Very low65 Ų65112 Ų11267%0.6785%0.852SS**  trans158.492.516600000109.9
29S31.3Very low31.7Very low122 Ų122113.2 Ų113.285%0.85386%0.855SS**  88.6103.786.256.20000113.3
30E31Very low31.4Very low185 Ų185111.3 Ų111.386%0.86485%0.845SS**  trans-47.4160.4149.1-91.1-170.215400112.1
31P41.1Very low31.2Very low132 Ų132113.2 Ų113.286%0.85785%0.846SS**  -151.6175.257.838.7-16.7000117.1
32G29.4Very low31.1Very low78 Ų78112.1 Ų112.180%0.80485%0.845SS**  trans162.789.616000000115.7
33A29.8Very low30.8Very low113 Ų113111.9 Ų111.993%0.93484%0.843SS**  trans-64.1148.1174.100000113.7
34G29.1Very low31Very low80 Ų80112 Ų11283%0.82584%0.844SS**  trans-154.499.116800000110.5
35S30.8Very low30.9Very low129 Ų129112.6 Ų112.690%0.90284%0.841SS**  trans-68.5146.6-176.446.70000115.2
36G27.8Very low30.8Very low76 Ų76110 Ų11078%0.78483%0.834SS**  trans-169.378.3169.800000113.4
37S30.2Very low31.2Very low128 Ų128104.8 Ų104.890%0.89583%0.83SS**  trans-18.4137.6166.651.80000120.4
38G27.2Very low31.1Very low75 Ų75103.2 Ų103.277%0.77383%0.825SS**  trans-172117.4151.100000111.2
39A30.3Very low31.8Very low103 Ų103105.1 Ų105.185%0.85183%0.834SS**  trans-47.2139.6-172.300000115.1
40G26.4Very low32.6Very low69 Ų69102.4 Ų102.471%0.71183%0.825SS**  73.7107.575.100000109.2
41T31.4Very low34.2Very low147 Ų14797.9 Ų97.990%0.90282%0.82SS**  -162.3140.358.743.50000110.6
42G31.3Very low36Very low82 Ų8292.7 Ų92.785%0.84578%0.784SS**  trans-79.6144.1171.400000113
43A30Very low38.8Very low98 Ų9890.6 Ų90.681%0.8176%0.756SS**  trans-155.1118.3149.600000107.4
44G34.1Very low41.7Very low87 Ų8787.7 Ų87.790%0.89773%0.729SS**  trans-63.3133.8168.800000109.9
45A29Very low44.8Very low97 Ų9786.4 Ų86.480%0.80270%0.7SS**  trans-127.7113.8161.600000107.5
46A31.7Very low47.9Very low88 Ų8881.9 Ų81.973%0.72767%0.669SS**  trans-65149.9167.500000110.2
47T40.5Very low50.9Low143 Ų14378.3 Ų78.388%0.87763%0.632SS**  trans61.283.7155.259.40000117.7
48G30.7Very low54Low71 Ų7177.5 Ų77.573%0.73261%0.614SS**  trans-109.9130.1146.600000108.3G50G48-G50 VanDerWaalsContact C-N 3.26Å; G48-G50 PolarHBondContact O-N 3.12Å
49A43.7Very low57.2Low105 Ų10576.4 Ų76.487%0.86859%0.586SS**  trans-61.492.3170.600000108.2A51A49-A51 PolarHBondContact O-N 3.32Å
50G49.5Very low60.2Low65 Ų6571.5 Ų71.567%0.6755%0.546SS*.PPolyproline II helixtrans-66128.5-170.800000110.7G48 M52G48-G50 VanDerWaalsContact C-N 3.26Å; G48-G50 PolarHBondContact O-N 3.12Å; G50-M52 PolarHBondContact O-N 3.41Å
51A64.9Low63.3Low90 Ų9069.6 Ų69.674%0.74452%0.519SS*.PPolyproline II helixtrans-50.2134.4170.900000110A49A49-A51 PolarHBondContact O-N 3.32Å
52M78.4Confident66.1Low22 Ų2268 Ų6811%0.10850%0.501CS..PPolyproline II helixtrans-63.2139.9177.8-79.6-68.4-140.500110.2G50 C54 W143 L158 Q159 Y170G50-M52 PolarHBondContact O-N 3.41Å; M52-C54 PolarHBondContact O-N 3.36Å; M52-W143 HydrophobicContact CB-CB 4.08Å; M52-W143 HydrophobicContact CB-CD2 3.7Å; M52-W143 HydrophobicContact CB-CE3 4.19Å; M52-W143 HydrophobicContact CB-CG 3.58Å; M52-W143 HydrophobicContact CE-CZ2 4.34Å; M52-W143 HydrophobicContact CG-CD2 3.5Å; M52-W143 VanDerWaalsContact CG-CD2 3.5Å; M52-W143 VanDerWaalsContact CG-CE2 3.44Å; M52-W143 HydrophobicContact CG-CE3 4.17Å; M52-W143 HydrophobicContact CG-CG 3.67Å; M52-W143 HydrophobicContact CG-CZ2 4.16Å; M52-L158 HydrophobicContact CB-CD2 3.88Å; M52-L158 HydrophobicContact CE-CB 4.26Å; M52-L158 HydrophobicContact CE-CD2 3.93Å; M52-L158 HydrophobicContact CE-CG 4.16Å; M52-L158 HydrophobicContact CG-CD2 4.01Å; M52-L158 HydrophobicContact SD-CD2 3.76Å; M52-L158 HydrophobicContact SD-CG 4.31Å; M52-Q159 HydrophobicContact CE-CB 4.22Å; M52-Y170 HydrophobicContact CB-CD1 4.37Å; M52-Y170 HydrophobicContact CB-CE1 4.13Å
53P87.3Confident68.9Low35 Ų3565.8 Ų65.823%0.22747%0.468CS..PPolyproline II helixtrans-68.4128.7-177.429.3-35.2000111Y169 Y170P53-Y169 HydrophobicContact CB-CD1 3.72Å; P53-Y169 HydrophobicContact CB-CE1 3.87Å; P53-Y169 HydrophobicContact CG-CD1 4.42Å; P53-Y169 WeakPolarHBondContact O-CA 3.47Å; P53-Y170 WeakPolarHBondContact O-CD1 3.39Å; P53-Y170 PolarHBondContact O-N 3.14Å
54C91.6Very high71.8Confident52 Ų5261.9 Ų61.935%0.35143%0.434SS..EExtended strand (participates in β ladder)trans-122166-178.1720000112.4M52 Y170M52-C54 PolarHBondContact O-N 3.36Å; C54-Y170 CarbonylContact C-O 3.52Å; C54-Y170 VanDerWaalsContact CA-O 3.29Å; C54-Y170 WeakPolarHBondContact CA-O 3.46Å; C54-Y170 HydrophobicContact CB-CD1 3.84Å; C54-Y170 HydrophobicContact CB-CD2 4.41Å; C54-Y170 HydrophobicContact CB-CE1 3.34Å; C54-Y170 HydrophobicContact CB-CE2 3.95Å; C54-Y170 HydrophobicContact CB-CG 4.35Å
55K94.6Very high74.2Confident53 Ų5363.6 Ų63.623%0.2342%0.419CS..EExtended strand (participates in β ladder)trans-131.9145.2169.6-66.3-63.3-167.31680109.8W59 L134 Y169 Y170 Q172K55-W59 HydrophobicContact CB-CD2 4.03Å; K55-W59 HydrophobicContact CB-CE3 3.52Å; K55-W59 HydrophobicContact CB-CZ3 4.05Å; K55-W59 HydrophobicContact CD-CD2 3.58Å; K55-W59 HydrophobicContact CD-CE3 3.82Å; K55-W59 HydrophobicContact CD-CG 4.01Å; K55-W59 HydrophobicContact CD-CH2 4.37Å; K55-W59 HydrophobicContact CD-CZ2 4.15Å; K55-W59 HydrophobicContact CD-CZ3 4.21Å; K55-W59 HydrophobicContact CG-CD2 3.93Å; K55-W59 HydrophobicContact CG-CE3 3.6Å; K55-W59 HydrophobicContact CG-CH2 4.22Å; K55-W59 HydrophobicContact CG-CZ3 3.77Å; K55-L134 HydrophobicContact CB-CD1 3.93Å; K55-L134 HydrophobicContact CG-CD1 4.06Å; K55-Y169 HydrophobicContact CD-CD1 4.35Å; K55-Y169 HydrophobicContact CG-CD1 4.11Å; K55-Y169 HydrophobicContact CG-CG 4.03Å; K55-Y170 PolarHBondContact N-O 3.21Å; K55-Q172 WeakPolarHBondContact O-CB 3.47Å; K55-Q172 PolarHBondContact O-N 3.34Å
56S94.6Very high76.5Confident34 Ų3464.4 Ų64.424%0.23841%0.413CS..  trans-77.6163.6176.659.20000111.7E58 W59 L60S56-E58 VanDerWaalsContact C-N 3.34Å; S56-W59 PolarHBondContact O-N 3.47Å; S56-W59 WeakPolarHBondContact OG-CB 3.46Å; S56-W59 PolarHBondContact OG-N 3.39Å; S56-W59 VanDerWaalsContact OG-N 3.16Å; S56-L60 PolarHBondContact O-N 3.09Å
57A92.3Very high78.1Confident1 Ų167 Ų671%0.00840%0.404CS..Hα-helixtrans-60.5-44.1170.900000111.4W59 L60 Q61 F178 E181 Y182A57-W59 PolarHBondContact O-N 3.37Å; A57-L60 WeakPolarHBondContact O-CB 3.4Å; A57-L60 PolarHBondContact O-N 3.25Å; A57-L60 VanDerWaalsContact O-N 3.11Å; A57-Q61 PolarHBondContact O-N 3.2Å; A57-F178 HydrophobicContact CB-CD2 3.9Å; A57-E181 WeakPolarHBondContact CB-OE2 3.3Å; A57-Y182 HydrophobicContact CB-CD2 4.11Å; A57-Y182 HydrophobicContact CB-CE2 3.78Å
58E93.8Very high79.3Confident111 Ų11163.4 Ų63.452%0.51940%0.396SS..Hα-helixtrans-52.2-49.5172.9-65.8160.3-177.700112.2S56 L60 Q61 E62 Y182S56-E58 VanDerWaalsContact C-N 3.34Å; E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 2.84Å; E58-Q61 PolarHBondContact O-N 3.02Å; E58-E62 PolarHBondContact O-N 3.01Å; E58-Y182 WeakPolarHBondContact CA-OH 3.41Å; E58-Y182 WeakPolarHBondContact CG-OH 3.22Å
59W94.5Very high80.9Confident51 Ų5160.4 Ų60.419%0.19336%0.364CS..Hα-helixtrans-61.6-38.2179.1176.884.8000112.5K55 S56 A57 E63 L72 T132 L134K55-W59 HydrophobicContact CB-CD2 4.03Å; K55-W59 HydrophobicContact CB-CE3 3.52Å; K55-W59 HydrophobicContact CB-CZ3 4.05Å; K55-W59 HydrophobicContact CD-CD2 3.58Å; K55-W59 HydrophobicContact CD-CE3 3.82Å; K55-W59 HydrophobicContact CD-CG 4.01Å; K55-W59 HydrophobicContact CD-CH2 4.37Å; K55-W59 HydrophobicContact CD-CZ2 4.15Å; K55-W59 HydrophobicContact CD-CZ3 4.21Å; K55-W59 HydrophobicContact CG-CD2 3.93Å; K55-W59 HydrophobicContact CG-CE3 3.6Å; K55-W59 HydrophobicContact CG-CH2 4.22Å; K55-W59 HydrophobicContact CG-CZ3 3.77Å; S56-W59 PolarHBondContact O-N 3.47Å; S56-W59 WeakPolarHBondContact OG-CB 3.46Å; S56-W59 PolarHBondContact OG-N 3.39Å; S56-W59 VanDerWaalsContact OG-N 3.16Å; A57-W59 PolarHBondContact O-N 3.37Å; W59-E63 HydrophobicContact CD2-CG 4.3Å; W59-E63 HydrophobicContact CH2-CG 3.9Å; W59-E63 HydrophobicContact CZ2-CG 3.59Å; W59-E63 HydrophobicContact CZ3-CG 4.35Å; W59-E63 PolarHBondContact O-N 3.32Å; W59-E63 VanDerWaalsContact O-N 3.14Å; W59-L72 HydrophobicContact CH2-CD1 4.26Å; W59-L72 HydrophobicContact CZ3-CD1 4.4Å; W59-T132 HydrophobicContact CH2-CG2 3.97Å; W59-L134 HydrophobicContact CZ3-CD2 4.26Å
60L94.1Very high82.1Confident0 Ų058.3 Ų58.30%035%0.347CS..Hα-helixtrans-67.1-43.1178.9173.656.7000110.8S56 A57 E58 E63 L64 L72 L74 I88 L134 L171 F178S56-L60 PolarHBondContact O-N 3.09Å; A57-L60 WeakPolarHBondContact O-CB 3.4Å; A57-L60 PolarHBondContact O-N 3.25Å; A57-L60 VanDerWaalsContact O-N 3.11Å; E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 2.84Å; L60-E63 PolarHBondContact O-N 2.93Å; L60-L64 HydrophobicContact CD1-CD1 4.1Å; L60-L64 HydrophobicContact CD1-CG 4.05Å; L60-L64 HydrophobicContact CG-CD1 4.09Å; L60-L64 HydrophobicContact CG-CG 4.49Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 2.79Å; L60-L72 HydrophobicContact CD1-CD2 3.5Å; L60-L72 VanDerWaalsContact CD1-CD2 3.5Å; L60-L74 HydrophobicContact CD1-CD2 3.99Å; L60-L74 HydrophobicContact CD2-CD2 4.3Å; L60-I88 HydrophobicContact CD2-CD1 3.7Å; L60-L134 HydrophobicContact CB-CD2 4.3Å; L60-L134 HydrophobicContact CD1-CD2 3.74Å; L60-L134 HydrophobicContact CD2-CD2 3.77Å; L60-L134 HydrophobicContact CG-CD2 4.15Å; L60-L171 HydrophobicContact CB-CD1 4.21Å; L60-L171 HydrophobicContact CD2-CD1 3.97Å; L60-L171 HydrophobicContact CD2-CD2 3.84Å; L60-F178 HydrophobicContact CB-CD2 4.29Å; L60-F178 HydrophobicContact CB-CE2 3.79Å; L60-F178 HydrophobicContact CD2-CD2 3.72Å; L60-F178 HydrophobicContact CD2-CE1 4.43Å; L60-F178 HydrophobicContact CD2-CE2 3.53Å; L60-F178 HydrophobicContact CD2-CG 4.27Å; L60-F178 HydrophobicContact CD2-CZ 3.91Å; L60-F178 HydrophobicContact CG-CD2 4.18Å; L60-F178 HydrophobicContact CG-CE2 3.53Å; L60-F178 HydrophobicContact CG-CZ 3.92Å
61Q91.6Very high83.7Confident30 Ų3057 Ų5714%0.1433%0.328CS..Hα-helixtrans-60.9-46176.7173.8-90.9-8.200111.3A57 E58 E63 L64 E65 F178 Y182A57-Q61 PolarHBondContact O-N 3.2Å; E58-Q61 PolarHBondContact O-N 3.02Å; Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 PolarHBondContact O-N 3.15Å; Q61-L64 PolarHBondContact O-N 3.26Å; Q61-L64 VanDerWaalsContact O-N 3.15Å; Q61-E65 PolarHBondContact NE2-OE1 2.95Å; Q61-E65 PolarHBondContact NE2-OE2 2.72Å; Q61-E65 PolarHBondContact O-N 3.21Å; Q61-F178 HydrophobicContact CB-CE2 4.33Å; Q61-Y182 HydrophobicContact CB-CD1 3.79Å; Q61-Y182 HydrophobicContact CB-CD2 4.12Å; Q61-Y182 HydrophobicContact CB-CE1 3.85Å; Q61-Y182 HydrophobicContact CB-CE2 4.21Å; Q61-Y182 HydrophobicContact CB-CG 3.91Å; Q61-Y182 HydrophobicContact CG-CD1 3.53Å; Q61-Y182 HydrophobicContact CG-CE1 3.67Å; Q61-Y182 HydrophobicContact CG-CG 4.09Å
62E90.6Very high84.9Confident112 Ų11252.9 Ų52.952%0.52329%0.293SS..Hα-helixtrans-58.3-41.9176.5-71.5-179.7171.700112.4E58 E65 V66E58-E62 PolarHBondContact O-N 3.01Å; E62-E65 PolarHBondContact O-N 3.41Å; E62-V66 VanDerWaalsContact O-CB 3.29Å; E62-V66 WeakPolarHBondContact O-CB 3.47Å; E62-V66 WeakPolarHBondContact O-CG2 3.35Å; E62-V66 PolarHBondContact O-N 2.59Å
63E90.3Very high85.5Confident36 Ų3651.9 Ų51.917%0.16829%0.288CS..Hα-helixtrans-69.8-32.7178.2-83.3-72132.900113.3W59 L60 Q61 R67 S71W59-E63 HydrophobicContact CD2-CG 4.3Å; W59-E63 HydrophobicContact CH2-CG 3.9Å; W59-E63 HydrophobicContact CZ2-CG 3.59Å; W59-E63 HydrophobicContact CZ3-CG 4.35Å; W59-E63 PolarHBondContact O-N 3.32Å; W59-E63 VanDerWaalsContact O-N 3.14Å; L60-E63 PolarHBondContact O-N 2.93Å; Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 PolarHBondContact O-N 3.15Å; E63-R67 PolarHBondContact O-N 3.05Å; E63-R67 IonicContact OE1-NE 3.86Å; E63-R67 WeakPolarHBondContact OE2-CD 3.28Å; E63-R67 IonicContact OE2-NE 2.77Å; E63-S71 PolarHBondContact OE2-OG 2.96Å
64L89.2Confident85.9Confident17 Ų1750.2 Ų50.29%0.08928%0.278CS..Hα-helixtrans-66.6-41.6173.6-71.1171.9000110.9L60 Q61 G68 L72 L74 I88 F178 H185L60-L64 HydrophobicContact CD1-CD1 4.1Å; L60-L64 HydrophobicContact CD1-CG 4.05Å; L60-L64 HydrophobicContact CG-CD1 4.09Å; L60-L64 HydrophobicContact CG-CG 4.49Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 2.79Å; Q61-L64 PolarHBondContact O-N 3.26Å; Q61-L64 VanDerWaalsContact O-N 3.15Å; L64-G68 VanDerWaalsContact O-CA 3.27Å; L64-G68 WeakPolarHBondContact O-CA 3.49Å; L64-G68 PolarHBondContact O-N 2.9Å; L64-L72 HydrophobicContact CD2-CD2 4.25Å; L64-L74 HydrophobicContact CD2-CD1 4.38Å; L64-I88 HydrophobicContact CD1-CG2 4.13Å; L64-F178 HydrophobicContact CD1-CZ 3.83Å; L64-H185 HydrophobicContact CD1-CB 3.92Å
65E85.9Confident86Confident123 Ų12347.8 Ų47.858%0.57526%0.261SS*.Hα-helixtrans-74.4-45.4179.4-70.3-172.5165.600113.9Q61 E62Q61-E65 PolarHBondContact NE2-OE1 2.95Å; Q61-E65 PolarHBondContact NE2-OE2 2.72Å; Q61-E65 PolarHBondContact O-N 3.21Å; E62-E65 PolarHBondContact O-N 3.41Å
66V76.7Confident85.9Confident113 Ų11345.2 Ų45.269%0.68525%0.25SC*.Hα-helixtrans-76.9-31.6-171.1174.50000112.4E62E62-V66 VanDerWaalsContact O-CB 3.29Å; E62-V66 WeakPolarHBondContact O-CB 3.47Å; E62-V66 WeakPolarHBondContact O-CG2 3.35Å; E62-V66 PolarHBondContact O-N 2.59Å
67R65.7Low85.7Confident143 Ų14344.7 Ų44.754%0.5425%0.246SC..Hα-helixtrans-123.73.5-172.3-61.4-174.9-177.5-92.5-1.6114.1E63 G69 A70 S71E63-R67 PolarHBondContact O-N 3.05Å; E63-R67 IonicContact OE1-NE 3.86Å; E63-R67 WeakPolarHBondContact OE2-CD 3.28Å; E63-R67 IonicContact OE2-NE 2.77Å; R67-G69 PolarHBondContact O-N 3.45Å; R67-G69 VanDerWaalsContact O-N 3.15Å; R67-A70 VanDerWaalsContact O-CB 3.24Å; R67-A70 WeakPolarHBondContact O-CB 3.48Å; R67-A70 PolarHBondContact O-N 3.24Å; R67-S71 WeakPolarHBondContact CD-OG 3.48Å
68G64.5Low85.6Confident68 Ų6845 Ų4570%0.70125%0.247SC*.THydrogen-bonded Turntrans53.931.8-175.500000112.7L64 A70L64-G68 VanDerWaalsContact O-CA 3.27Å; L64-G68 WeakPolarHBondContact O-CA 3.49Å; L64-G68 PolarHBondContact O-N 2.9Å; G68-A70 PolarHBondContact O-N 3.31Å; G68-A70 VanDerWaalsContact O-N 3.09Å
69G65.8Low85.2Confident7 Ų743.1 Ų43.17%0.07224%0.244CC..THydrogen-bonded Turntrans64.112.6-175.600000115.4R67 S71 L72 R127R67-G69 PolarHBondContact O-N 3.45Å; R67-G69 VanDerWaalsContact O-N 3.15Å; G69-S71 VanDerWaalsContact C-N 3.26Å; G69-S71 PolarHBondContact O-N 3.28Å; G69-L72 PolarHBondContact O-N 2.99Å; G69-L72 VanDerWaalsContact O-N 3.1Å; G69-R127 PolarHBondContact O-NH1 2.7Å
70A69.3Low84.7Confident62 Ų6244.3 Ų44.351%0.51225%0.252SS..THydrogen-bonded Turntrans-66.8-24.5-174.900000113.5R67 G68 R127R67-A70 VanDerWaalsContact O-CB 3.24Å; R67-A70 WeakPolarHBondContact O-CB 3.48Å; R67-A70 PolarHBondContact O-N 3.24Å; G68-A70 PolarHBondContact O-N 3.31Å; G68-A70 VanDerWaalsContact O-N 3.09Å; A70-R127 PolarHBondContact O-NH1 3.01Å; A70-R127 PolarHBondContact O-NH2 3Å
71S82Confident84.1Confident37 Ų3748.9 Ų48.926%0.25927%0.273SS..THydrogen-bonded Turntrans-101.17.8174.844.10000113.6E63 R67 G69 A131 T132E63-S71 PolarHBondContact OE2-OG 2.96Å; R67-S71 WeakPolarHBondContact CD-OG 3.48Å; G69-S71 VanDerWaalsContact C-N 3.26Å; G69-S71 PolarHBondContact O-N 3.28Å; S71-A131 WeakPolarHBondContact O-CA 3.38Å; S71-A131 VanDerWaalsContact O-CB 3.3Å; S71-A131 WeakPolarHBondContact O-CB 3.49Å; S71-T132 PolarHBondContact O-N 2.73Å
72L90.1Very high83.7Confident4 Ų450.5 Ų50.52%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-114.3144.7-172-165.567.7000111.7W59 L60 L64 G69 L74 R127 T132 L134W59-L72 HydrophobicContact CH2-CD1 4.26Å; W59-L72 HydrophobicContact CZ3-CD1 4.4Å; L60-L72 HydrophobicContact CD1-CD2 3.5Å; L60-L72 VanDerWaalsContact CD1-CD2 3.5Å; L64-L72 HydrophobicContact CD2-CD2 4.25Å; G69-L72 PolarHBondContact O-N 2.99Å; G69-L72 VanDerWaalsContact O-N 3.1Å; L72-L74 HydrophobicContact CD2-CD1 3.95Å; L72-L74 HydrophobicContact CD2-CD2 3.88Å; L72-L74 HydrophobicContact CD2-CG 3.68Å; L72-L74 HydrophobicContact CG-CD2 4.38Å; L72-L74 HydrophobicContact CG-CG 4.05Å; L72-R127 PolarHBondContact O-NH1 3.08Å; L72-T132 HydrophobicContact CD1-CG2 4.34Å; L72-L134 HydrophobicContact CD1-CB 4.13Å
73L92.1Very high83.6Confident0 Ų046.5 Ų46.50%026%0.263CS..EExtended strand (participates in β ladder)trans-127104.4168.3-175.366.4000108.6L75 I92 F124 R127 C128 A131 T132 V133 L134L73-L75 HydrophobicContact CG-CD2 4.34Å; L73-I92 HydrophobicContact CD1-CD1 3.79Å; L73-F124 HydrophobicContact CD2-CD2 3.73Å; L73-F124 HydrophobicContact CD2-CE2 4.24Å; L73-F124 HydrophobicContact CD2-CG 4.46Å; L73-R127 HydrophobicContact CD1-CB 4.47Å; L73-R127 HydrophobicContact CD2-CB 4.35Å; L73-C128 HydrophobicContact CD2-CB 4.33Å; L73-A131 HydrophobicContact CB-CB 4.38Å; L73-T132 PolarHBondContact N-O 3Å; L73-V133 HydrophobicContact CB-CG2 4.34Å; L73-V133 HydrophobicContact CD2-CG1 4.43Å; L73-V133 HydrophobicContact CD2-CG2 4.1Å; L73-V133 WeakPolarHBondContact O-CA 3.47Å; L73-L134 PolarHBondContact O-N 3.37Å
74L93.9Very high83.5Confident1 Ų149.2 Ų49.21%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-88.8130.4-179.7-74.5167.6000110.9L60 L64 L72 I88 E89 A91 I92 L134L60-L74 HydrophobicContact CD1-CD2 3.99Å; L60-L74 HydrophobicContact CD2-CD2 4.3Å; L64-L74 HydrophobicContact CD2-CD1 4.38Å; L72-L74 HydrophobicContact CD2-CD1 3.95Å; L72-L74 HydrophobicContact CD2-CD2 3.88Å; L72-L74 HydrophobicContact CD2-CG 3.68Å; L72-L74 HydrophobicContact CG-CD2 4.38Å; L72-L74 HydrophobicContact CG-CG 4.05Å; L74-I88 HydrophobicContact CD1-CB 4.31Å; L74-I88 HydrophobicContact CD1-CG2 3.7Å; L74-E89 WeakPolarHBondContact CD1-O 3.37Å; L74-A91 HydrophobicContact CB-CB 3.82Å; L74-I92 PolarHBondContact O-N 3.37Å; L74-L134 WeakPolarHBondContact CA-O 3.42Å; L74-L134 HydrophobicContact CD2-CB 4.08Å; L74-L134 HydrophobicContact CD2-CD2 3.88Å; L74-L134 HydrophobicContact CD2-CG 4.36Å
75L93.9Very high83.3Confident0 Ų051 Ų510%029%0.29CS..EExtended strand (participates in β ladder)trans-123.8110.4180-58.4178.1000109.9L73 C77 I92 L94 F124 V133 L134 L135 Y136 L161L73-L75 HydrophobicContact CG-CD2 4.34Å; L75-C77 PolarHBondContact O-N 2.89Å; L75-I92 WeakPolarHBondContact CA-O 3.46Å; L75-I92 HydrophobicContact CD2-CB 4.08Å; L75-I92 HydrophobicContact CD2-CD1 4.48Å; L75-L94 HydrophobicContact CB-CD1 3.9Å; L75-L94 HydrophobicContact CB-CG 4.33Å; L75-L94 HydrophobicContact CD1-CD1 4.09Å; L75-L94 HydrophobicContact CD2-CD1 4.38Å; L75-L94 HydrophobicContact CD2-CD2 4.37Å; L75-L94 HydrophobicContact CD2-CG 4.4Å; L75-L94 HydrophobicContact CG-CD1 4.34Å; L75-F124 HydrophobicContact CD1-CE2 4.17Å; L75-F124 HydrophobicContact CD2-CD2 4.24Å; L75-V133 HydrophobicContact CD1-CG1 3.4Å; L75-V133 HydrophobicContact CG-CG1 4.05Å; L75-L134 PolarHBondContact N-O 3.31Å; L75-L135 HydrophobicContact CB-CG 4.16Å; L75-L135 HydrophobicContact CD1-CG 4.15Å; L75-L135 WeakPolarHBondContact O-CA 3.42Å; L75-Y136 PolarHBondContact O-N 3.14Å; L75-Y136 VanDerWaalsContact O-N 3.11Å; L75-L161 HydrophobicContact CD1-CD1 3.95Å
76D93.1Very high83.4Confident0 Ų045.4 Ų45.40%026%0.264CS..EExtended strand (participates in β ladder)trans-83.8113.2175.1-164.2-38.2000109.4R78 F83 A91 I92 L94 Y136D76-R78 VanDerWaalsContact C-N 3.35Å; D76-R78 WeakPolarHBondContact OD1-CB 3.13Å; D76-R78 WeakPolarHBondContact OD1-CG 3.25Å; D76-R78 PolarHBondContact OD1-N 3.43Å; D76-R78 IonicContact OD1-NE 2.74Å; D76-R78 PolarHBondContact OD1-NE 3.15Å; D76-R78 VanDerWaalsContact OD1-NE 3.13Å; D76-R78 IonicContact OD2-CZ 3.13Å; D76-R78 IonicContact OD2-NE 3.57Å; D76-R78 PolarHBondContact OD2-NE 3.02Å; D76-R78 VanDerWaalsContact OD2-NE 3.11Å; D76-R78 IonicContact OD2-NH2 3.56Å; D76-R78 PolarHBondContact OD2-NH2 3.38Å; D76-F83 HydrophobicContact CB-CD2 3.57Å; D76-F83 HydrophobicContact CB-CE2 4.08Å; D76-F83 WeakPolarHBondContact OD2-CD2 3.43Å; D76-A91 HydrophobicContact CB-CB 4.46Å; D76-I92 PolarHBondContact N-O 3.4Å; D76-L94 PolarHBondContact O-N 3.47Å; D76-Y136 HydrophobicContact CB-CE1 4.15Å; D76-Y136 HydrophobicContact CB-CE2 3.93Å; D76-Y136 VanDerWaalsContact CB-OH 3.31Å; D76-Y136 WeakPolarHBondContact CB-OH 3.49Å; D76-Y136 VanDerWaalsContact CG-CZ 3.45Å; D76-Y136 VanDerWaalsContact CG-OH 3.27Å; D76-Y136 WeakPolarHBondContact OD2-CE2 3.32Å; D76-Y136 PolarHBondContact OD2-OH 3.34Å
77C90.8Very high84.2Confident23 Ų2341.2 Ų41.216%0.15524%0.237CC..  trans-91.31.4-178.7-600000113.1L75 Y136 L154L75-C77 PolarHBondContact O-N 2.89Å; C77-Y136 VanDerWaalsContact CB-O 3.31Å; C77-Y136 WeakPolarHBondContact CB-O 3.5Å; C77-Y136 PolarHBondContact N-O 3.31Å; C77-L154 HydrophobicContact CB-CD1 4.47Å
78R89.2Confident85.6Confident8 Ų834.4 Ų34.43%0.0321%0.211CC..SBendtrans-75162.3-180-58.8-178.8-67.1157.72.5111.4D76 L82 S86 N93 E138 F175D76-R78 VanDerWaalsContact C-N 3.35Å; D76-R78 WeakPolarHBondContact OD1-CB 3.13Å; D76-R78 WeakPolarHBondContact OD1-CG 3.25Å; D76-R78 PolarHBondContact OD1-N 3.43Å; D76-R78 IonicContact OD1-NE 2.74Å; D76-R78 PolarHBondContact OD1-NE 3.15Å; D76-R78 VanDerWaalsContact OD1-NE 3.13Å; D76-R78 IonicContact OD2-CZ 3.13Å; D76-R78 IonicContact OD2-NE 3.57Å; D76-R78 PolarHBondContact OD2-NE 3.02Å; D76-R78 VanDerWaalsContact OD2-NE 3.11Å; D76-R78 IonicContact OD2-NH2 3.56Å; D76-R78 PolarHBondContact OD2-NH2 3.38Å; R78-L82 HydrophobicContact CB-CB 4.08Å; R78-L82 HydrophobicContact CB-CD1 4.4Å; R78-S86 PolarHBondContact NH2-O 3.45Å; R78-N93 PolarHBondContact O-ND2 2.78Å; R78-N93 VanDerWaalsContact O-ND2 3.13Å; R78-E138 WeakPolarHBondContact CD-OE2 3.1Å; R78-E138 IonicContact NH1-OE2 3.99Å; R78-F175 VanDerWaalsContact CZ-CD1 3.5Å; R78-F175 VanDerWaalsContact CZ-CG 3.41Å
79P85.4Confident86.7Confident70 Ų7035.7 Ų35.746%0.45520%0.199SC..  trans-50147.2168-25.435000111.5E81 L82 F83P79-E81 WeakPolarHBondContact CB-OE2 3.46Å; P79-E81 PolarHBondContact O-N 3.03Å; P79-E81 VanDerWaalsContact O-N 3.14Å; P79-L82 HydrophobicContact CG-CD1 4.44Å; P79-L82 PolarHBondContact O-N 2.99Å; P79-F83 PolarHBondContact O-N 3.47Å
80H85Confident87.7Confident77 Ų7737.9 Ų37.936%0.35621%0.211SC..Hα-helixtrans-55.9-34.6-176-173.565000111.7L82 F83 E84 N93 A95H80-L82 PolarHBondContact O-N 2.92Å; H80-F83 WeakPolarHBondContact O-CB 3.2Å; H80-F83 PolarHBondContact O-N 3.01Å; H80-E84 IonicContact CD2-OE2 2.79Å; H80-E84 IonicContact CE1-OE1 3.85Å; H80-E84 VanDerWaalsContact NE2-CD 3.34Å; H80-E84 IonicContact NE2-OE1 3.55Å; H80-E84 PolarHBondContact NE2-OE1 3.48Å; H80-E84 IonicContact NE2-OE2 3.65Å; H80-E84 PolarHBondContact O-N 2.83Å; H80-N93 PolarHBondContact ND1-OD1 3.49Å; H80-A95 HydrophobicContact CB-CB 3.92Å
81E80.3Confident88.9Confident96 Ų9635.3 Ų35.345%0.44919%0.19SC..Hα-helixtrans-62.9-40.3179.7-56.979.3-172.900112.3P79 S85P79-E81 WeakPolarHBondContact CB-OE2 3.46Å; P79-E81 PolarHBondContact O-N 3.03Å; P79-E81 VanDerWaalsContact O-N 3.14Å; E81-S85 PolarHBondContact O-N 2.86Å; E81-S85 PolarHBondContact O-OG 3.12Å
82L84.3Confident89.3Confident63 Ų6333.6 Ų33.633%0.3318%0.178SC..Hα-helixtrans-71.2-40177.7-62-174.8000110.5R78 P79 H80 S85 S86 E138R78-L82 HydrophobicContact CB-CB 4.08Å; R78-L82 HydrophobicContact CB-CD1 4.4Å; P79-L82 HydrophobicContact CG-CD1 4.44Å; P79-L82 PolarHBondContact O-N 2.99Å; H80-L82 PolarHBondContact O-N 2.92Å; L82-S85 PolarHBondContact O-N 3.19Å; L82-S85 PolarHBondContact O-OG 2.88Å; L82-S86 PolarHBondContact O-N 2.98Å; L82-E138 WeakPolarHBondContact CD1-OE2 3.42Å
83F89.1Confident89.4Confident28 Ų2833.9 Ų33.912%0.12318%0.18CC..Hα-helixtrans-60.1-49174.2175.7-92.2000112.8D76 P79 H80 S85 S86 H87 A91 N93D76-F83 HydrophobicContact CB-CD2 3.57Å; D76-F83 HydrophobicContact CB-CE2 4.08Å; D76-F83 WeakPolarHBondContact OD2-CD2 3.43Å; P79-F83 PolarHBondContact O-N 3.47Å; H80-F83 WeakPolarHBondContact O-CB 3.2Å; H80-F83 PolarHBondContact O-N 3.01Å; F83-S85 VanDerWaalsContact C-N 3.27Å; F83-S85 PolarHBondContact O-N 3.43Å; F83-S86 CarbonylContact O-C 3.57Å; F83-S86 PolarHBondContact O-N 3.4Å; F83-H87 HydrophobicContact CD2-CB 3.44Å; F83-H87 VanDerWaalsContact CD2-CB 3.44Å; F83-H87 AromaticContact CD2-CG 3.63Å; F83-H87 HydrophobicContact CE2-CB 3.66Å; F83-H87 AromaticContact CE2-CD2 3.36Å; F83-H87 WeakPolarHBondContact CE2-CD2 3.33Å; F83-H87 AromaticContact CE2-CG 3.43Å; F83-H87 VanDerWaalsContact CE2-CG 3.43Å; F83-H87 AromaticContact CE2-NE2 3.95Å; F83-H87 HydrophobicContact CG-CB 4.12Å; F83-H87 HydrophobicContact CZ-CB 4.47Å; F83-H87 AromaticContact CZ-CD2 3.52Å; F83-H87 AromaticContact CZ-CE1 3.93Å; F83-H87 AromaticContact CZ-CG 3.78Å; F83-H87 AromaticContact CZ-NE2 3.59Å; F83-H87 PolarHBondContact O-ND1 3.29Å; F83-A91 HydrophobicContact CE2-CB 4.1Å; F83-A91 WeakPolarHBondContact CE2-O 3.49Å; F83-A91 WeakPolarHBondContact CZ-O 3.48Å; F83-N93 HydrophobicContact CB-CB 4.14Å; F83-N93 HydrophobicContact CD1-CB 3.62Å; F83-N93 HydrophobicContact CD2-CB 3.68Å; F83-N93 HydrophobicContact CE1-CB 3.86Å; F83-N93 HydrophobicContact CE2-CB 3.9Å; F83-N93 HydrophobicContact CG-CB 3.53Å; F83-N93 HydrophobicContact CZ-CB 3.99Å
84E87.3Confident89.1Confident93 Ų9334 Ų3444%0.43518%0.18SC..Hα-helixtrans-63.4-32.5-178.9-75.4-165.4136.500113.1H80H80-E84 IonicContact CD2-OE2 2.79Å; H80-E84 IonicContact CE1-OE1 3.85Å; H80-E84 VanDerWaalsContact NE2-CD 3.34Å; H80-E84 IonicContact NE2-OE1 3.55Å; H80-E84 PolarHBondContact NE2-OE1 3.48Å; H80-E84 IonicContact NE2-OE2 3.65Å; H80-E84 PolarHBondContact O-N 2.83Å
85S85.3Confident88.4Confident54 Ų5435.3 Ų35.338%0.37819%0.192SC..Hα-helixtrans-70.7-44178.265.20000113.3E81 L82 F83E81-S85 PolarHBondContact O-N 2.86Å; E81-S85 PolarHBondContact O-OG 3.12Å; L82-S85 PolarHBondContact O-N 3.19Å; L82-S85 PolarHBondContact O-OG 2.88Å; F83-S85 VanDerWaalsContact C-N 3.27Å; F83-S85 PolarHBondContact O-N 3.43Å
86S88Confident87.5Confident7 Ų736.7 Ų36.75%0.04920%0.198CC..EExtended strand (participates in β ladder)trans-163.4131.7179.7-1700000109R78 L82 F83 F175 Q179 E187 T188R78-S86 PolarHBondContact NH2-O 3.45Å; L82-S86 PolarHBondContact O-N 2.98Å; F83-S86 CarbonylContact O-C 3.57Å; F83-S86 PolarHBondContact O-N 3.4Å; S86-F175 WeakPolarHBondContact O-CZ 3.48Å; S86-F175 VanDerWaalsContact OG-CZ 3.32Å; S86-F175 WeakPolarHBondContact OG-CZ 3.17Å; S86-Q179 PolarHBondContact OG-NE2 3.29Å; S86-E187 CarbonylContact C-O 3.55Å; S86-E187 VanDerWaalsContact CA-O 3.23Å; S86-E187 WeakPolarHBondContact CA-O 3.49Å; S86-T188 WeakPolarHBondContact OG-CG2 3.45Å
87H94Very high86.4Confident24 Ų2440 Ų4011%0.11122%0.22CC..EExtended strand (participates in β ladder)trans-149.9163.9175.659.7-81.2000111.1F83 C186 E187F83-H87 HydrophobicContact CD2-CB 3.44Å; F83-H87 VanDerWaalsContact CD2-CB 3.44Å; F83-H87 AromaticContact CD2-CG 3.63Å; F83-H87 HydrophobicContact CE2-CB 3.66Å; F83-H87 AromaticContact CE2-CD2 3.36Å; F83-H87 WeakPolarHBondContact CE2-CD2 3.33Å; F83-H87 AromaticContact CE2-CG 3.43Å; F83-H87 VanDerWaalsContact CE2-CG 3.43Å; F83-H87 AromaticContact CE2-NE2 3.95Å; F83-H87 HydrophobicContact CG-CB 4.12Å; F83-H87 HydrophobicContact CZ-CB 4.47Å; F83-H87 AromaticContact CZ-CD2 3.52Å; F83-H87 AromaticContact CZ-CE1 3.93Å; F83-H87 AromaticContact CZ-CG 3.78Å; F83-H87 AromaticContact CZ-NE2 3.59Å; F83-H87 PolarHBondContact O-ND1 3.29Å; H87-C186 CarbonylContact O-C 3.57Å; H87-C186 WeakPolarHBondContact O-CA 3.34Å; H87-E187 IonicContact CE1-OE2 3.4Å; H87-E187 PolarHBondContact N-O 2.99Å; H87-E187 IonicContact NE2-OE2 3.6Å; H87-E187 PolarHBondContact O-N 2.85Å
88I93.6Very high85.2Confident0 Ų041.4 Ų41.40%024%0.239CC..EExtended strand (participates in β ladder)trans-70.2137.5177.5-52.1-179.3000108.5L60 L64 L74 T90 A91 Y136 L171 F175 F178L60-I88 HydrophobicContact CD2-CD1 3.7Å; L64-I88 HydrophobicContact CD1-CG2 4.13Å; L74-I88 HydrophobicContact CD1-CB 4.31Å; L74-I88 HydrophobicContact CD1-CG2 3.7Å; I88-T90 PolarHBondContact O-N 3.39Å; I88-A91 WeakPolarHBondContact O-CB 3.41Å; I88-A91 PolarHBondContact O-N 3.47Å; I88-Y136 HydrophobicContact CB-CE1 4.31Å; I88-Y136 HydrophobicContact CD1-CD1 3.99Å; I88-Y136 HydrophobicContact CD1-CE1 3.75Å; I88-Y136 HydrophobicContact CD1-CE2 4.37Å; I88-Y136 HydrophobicContact CD1-CG 4.4Å; I88-Y136 HydrophobicContact CG1-CE1 4.07Å; I88-Y136 HydrophobicContact CG1-CE2 4.4Å; I88-Y136 PolarHBondContact N-OH 3.07Å; I88-L171 HydrophobicContact CD1-CD2 3.91Å; I88-F175 HydrophobicContact CD1-CD2 4.42Å; I88-F175 HydrophobicContact CG1-CD2 3.85Å; I88-F175 HydrophobicContact CG1-CE2 3.84Å; I88-F178 HydrophobicContact CD1-CB 4.42Å; I88-F178 HydrophobicContact CD1-CD1 3.55Å; I88-F178 HydrophobicContact CD1-CE1 3.94Å; I88-F178 HydrophobicContact CD1-CG 3.94Å; I88-F178 HydrophobicContact CG1-CD1 3.74Å; I88-F178 HydrophobicContact CG1-CE1 3.99Å; I88-F178 HydrophobicContact CG2-CD1 4.5Å; I88-F178 HydrophobicContact CG2-CE1 3.89Å; I88-F178 HydrophobicContact CG2-CZ 4.43Å
89E88.7Confident83.9Confident95 Ų9547.7 Ų47.744%0.44427%0.272SS..THydrogen-bonded Turntrans-48.6134.5-175.9-160.3-169.5162.700111.7L74 A91 H185 E187L74-E89 WeakPolarHBondContact CD1-O 3.37Å; E89-A91 PolarHBondContact O-N 3.47Å; E89-H185 PolarHBondContact N-O 3.01Å; E89-E187 WeakPolarHBondContact CA-OE1 3.39Å; E89-E187 HydrophobicContact CB-CG 4.36Å; E89-E187 HydrophobicContact CG-CG 4.09Å; E89-E187 VanDerWaalsContact CG-OE1 3.24Å; E89-E187 WeakPolarHBondContact CG-OE1 3.28Å
90T87.4Confident83.1Confident53 Ų5346.2 Ų46.233%0.32526%0.26SS..THydrogen-bonded Turntrans676.4179.5870000116.7I88 R123 E187I88-T90 PolarHBondContact O-N 3.39Å; T90-R123 PolarHBondContact O-NH1 3.22Å; T90-R123 PolarHBondContact O-NH2 2.92Å; T90-R123 PolarHBondContact OG1-NH2 3.3Å; T90-E187 PolarHBondContact N-OE1 3.04Å
91A92.6Very high82.3Confident9 Ų944.2 Ų44.27%0.07425%0.251CS..PPolyproline II helixtrans-65.8146.7178.300000113L74 D76 F83 I88 E89 Y136L74-A91 HydrophobicContact CB-CB 3.82Å; D76-A91 HydrophobicContact CB-CB 4.46Å; F83-A91 HydrophobicContact CE2-CB 4.1Å; F83-A91 WeakPolarHBondContact CE2-O 3.49Å; F83-A91 WeakPolarHBondContact CZ-O 3.48Å; I88-A91 WeakPolarHBondContact O-CB 3.41Å; I88-A91 PolarHBondContact O-N 3.47Å; E89-A91 PolarHBondContact O-N 3.47Å; A91-Y136 HydrophobicContact CB-CE1 4.12Å; A91-Y136 WeakPolarHBondContact CB-OH 3.26Å
92I91.7Very high81.8Confident1 Ų148 Ų481%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-100.4121.6174.7-59.2172.2000108.7L73 L74 L75 D76 L94 I115 D120L73-I92 HydrophobicContact CD1-CD1 3.79Å; L74-I92 PolarHBondContact O-N 3.37Å; L75-I92 WeakPolarHBondContact CA-O 3.46Å; L75-I92 HydrophobicContact CD2-CB 4.08Å; L75-I92 HydrophobicContact CD2-CD1 4.48Å; D76-I92 PolarHBondContact N-O 3.4Å; I92-L94 PolarHBondContact O-N 2.89Å; I92-I115 HydrophobicContact CG2-CG2 4.1Å; I92-D120 HydrophobicContact CD1-CB 4.11Å; I92-D120 HydrophobicContact CG1-CB 4.21Å; I92-D120 HydrophobicContact CG2-CB 3.86Å
93N91.8Very high81.2Confident10 Ų1051.4 Ų51.45%0.05327%0.27CS..EExtended strand (participates in β ladder)trans-73.8123.4173.7-174.7-123.9000111.8R78 H80 F83 A95 P116R78-N93 PolarHBondContact O-ND2 2.78Å; R78-N93 VanDerWaalsContact O-ND2 3.13Å; H80-N93 PolarHBondContact ND1-OD1 3.49Å; F83-N93 HydrophobicContact CB-CB 4.14Å; F83-N93 HydrophobicContact CD1-CB 3.62Å; F83-N93 HydrophobicContact CD2-CB 3.68Å; F83-N93 HydrophobicContact CE1-CB 3.86Å; F83-N93 HydrophobicContact CE2-CB 3.9Å; F83-N93 HydrophobicContact CG-CB 3.53Å; F83-N93 HydrophobicContact CZ-CB 3.99Å; N93-A95 WeakPolarHBondContact OD1-CB 3.34Å; N93-P116 WeakPolarHBondContact O-CD 3.46Å
94L86.5Confident80.4Confident2 Ų250.5 Ų50.51%0.0127%0.266CS..  trans-96.2-10.2176.6-67.3-177.1000113.7L75 D76 I92 I96 I114 I115 L157L75-L94 HydrophobicContact CB-CD1 3.9Å; L75-L94 HydrophobicContact CB-CG 4.33Å; L75-L94 HydrophobicContact CD1-CD1 4.09Å; L75-L94 HydrophobicContact CD2-CD1 4.38Å; L75-L94 HydrophobicContact CD2-CD2 4.37Å; L75-L94 HydrophobicContact CD2-CG 4.4Å; L75-L94 HydrophobicContact CG-CD1 4.34Å; D76-L94 PolarHBondContact O-N 3.47Å; I92-L94 PolarHBondContact O-N 2.89Å; L94-I96 PolarHBondContact O-N 3.29Å; L94-I114 WeakPolarHBondContact O-CG2 3.47Å; L94-I115 HydrophobicContact CD2-CG1 3.66Å; L94-L157 HydrophobicContact CD1-CD1 4.03Å
95A78.2Confident79.7Confident29 Ų2953 Ų5324%0.2427%0.272CS..  trans-6.189.2-174.500000114.6H80 N93 P97H80-A95 HydrophobicContact CB-CB 3.92Å; N93-A95 WeakPolarHBondContact OD1-CB 3.34Å; A95-P97 WeakPolarHBondContact O-CD 3.43Å
96I74.8Confident79.1Confident28 Ų2858.2 Ų58.214%0.14429%0.288CS..  trans-80.8116.6-171.9-60.4162.2000109.4L94 M100 L101 L104 I114 V153 L157L94-I96 PolarHBondContact O-N 3.29Å; I96-M100 HydrophobicContact CG2-CB 3.86Å; I96-L101 HydrophobicContact CB-CD2 4.15Å; I96-L101 HydrophobicContact CD1-CD2 4.42Å; I96-L101 HydrophobicContact CG2-CD2 3.72Å; I96-L101 HydrophobicContact CG2-CG 3.97Å; I96-L104 HydrophobicContact CD1-CD2 3.94Å; I96-I114 HydrophobicContact CD1-CD1 4.41Å; I96-I114 HydrophobicContact CG1-CD1 4.3Å; I96-I114 HydrophobicContact CG1-CG2 3.67Å; I96-V153 HydrophobicContact CD1-CG1 3.47Å; I96-V153 VanDerWaalsContact CD1-CG1 3.47Å; I96-L157 HydrophobicContact CD1-CD1 3.66Å; I96-L157 HydrophobicContact CD1-CD2 4.02Å; I96-L157 HydrophobicContact CD1-CG 3.98Å
97P70.6Confident78.1Confident70 Ų7060.1 Ų60.146%0.45531%0.308SS..  trans-61142.7174.8-21.334.1000110.8A95 L99 M100 L101A95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-L99 PolarHBondContact O-N 2.83Å; P97-M100 HydrophobicContact CG-SD 4.08Å; P97-M100 WeakPolarHBondContact O-CA 3.39Å; P97-M100 WeakPolarHBondContact O-CB 3.49Å; P97-M100 PolarHBondContact O-N 3.35Å; P97-L101 PolarHBondContact O-N 2.78Å
98G66Low77Confident53 Ų5364.8 Ų64.855%0.54633%0.334SS..Hα-helixtrans-55.5-27.9-176.200000114.9M100 L101G98-M100 VanDerWaalsContact C-N 3.32Å; G98-M100 PolarHBondContact O-N 2.82Å; G98-L101 WeakPolarHBondContact O-CB 3.23Å; G98-L101 PolarHBondContact O-N 3.22Å
99L61.5Low76.2Confident139 Ų13964.9 Ų64.973%0.72833%0.334SS*.Hα-helixtrans-67.1-30.6174.2-64.2174.3000113P97P97-L99 PolarHBondContact O-N 2.83Å
100M67.8Low75.8Confident40 Ų4064 Ų6420%0.19734%0.337CS..Hα-helixtrans-83.8-22.8179.4-65.8-178.270.500112.3I96 P97 G98 R102 R103 L104 L109 I114I96-M100 HydrophobicContact CG2-CB 3.86Å; P97-M100 HydrophobicContact CG-SD 4.08Å; P97-M100 WeakPolarHBondContact O-CA 3.39Å; P97-M100 WeakPolarHBondContact O-CB 3.49Å; P97-M100 PolarHBondContact O-N 3.35Å; G98-M100 VanDerWaalsContact C-N 3.32Å; G98-M100 PolarHBondContact O-N 2.82Å; M100-R102 PolarHBondContact O-N 3.05Å; M100-R103 WeakPolarHBondContact O-CB 3.45Å; M100-R103 PolarHBondContact O-N 3.03Å; M100-L104 PolarHBondContact O-N 3.21Å; M100-L109 HydrophobicContact CB-CD2 4.06Å; M100-L109 HydrophobicContact CE-CD1 3.65Å; M100-L109 HydrophobicContact CE-CD2 3.94Å; M100-L109 HydrophobicContact CE-CG 4.36Å; M100-I114 HydrophobicContact CE-CG1 4.26Å
101L68.2Low75.5Confident34 Ų3461.6 Ų61.618%0.17832%0.322CS..Hα-helixtrans-57.8-36.8172.9-69176.1000112.4I96 P97 G98 R103 L104 R105 V153I96-L101 HydrophobicContact CB-CD2 4.15Å; I96-L101 HydrophobicContact CD1-CD2 4.42Å; I96-L101 HydrophobicContact CG2-CD2 3.72Å; I96-L101 HydrophobicContact CG2-CG 3.97Å; P97-L101 PolarHBondContact O-N 2.78Å; G98-L101 WeakPolarHBondContact O-CB 3.23Å; G98-L101 PolarHBondContact O-N 3.22Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 3.05Å; L101-L104 PolarHBondContact O-N 2.86Å; L101-R105 WeakPolarHBondContact O-CB 3.48Å; L101-R105 WeakPolarHBondContact O-CG 3.21Å; L101-R105 PolarHBondContact O-N 3.1Å; L101-V153 HydrophobicContact CD1-CG2 4.25Å; L101-V153 HydrophobicContact CD2-CB 4.25Å; L101-V153 HydrophobicContact CD2-CG1 3.75Å; L101-V153 HydrophobicContact CD2-CG2 3.51Å
102R70.3Confident75Confident177 Ų17767.2 Ų67.267%0.66834%0.341SS*.Hα-helixtrans-63.6-34.3175.3-67.2-177.7-179.2171.2-0.4112.6M100 K106M100-R102 PolarHBondContact O-N 3.05Å; R102-K106 WeakPolarHBondContact O-CG 3.47Å
103R72.1Confident74.4Confident133 Ų13369.9 Ų69.950%0.50236%0.36SS..Hα-helixtrans-78.7-37177.9-66.4177.660.2-170.9-2.6111.6M100 L101 K106 G107 N108 L109M100-R103 WeakPolarHBondContact O-CB 3.45Å; M100-R103 PolarHBondContact O-N 3.03Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 3.05Å; R103-K106 PolarHBondContact O-N 3.31Å; R103-G107 PolarHBondContact O-N 3.48Å; R103-N108 PolarHBondContact O-N 2.7Å; R103-N108 VanDerWaalsContact O-N 3.13Å; R103-L109 HydrophobicContact CB-CB 4.26Å
104L72.3Confident73.9Confident10 Ų1070.1 Ų70.15%0.05236%0.361CS..Hα-helixtrans-63-46.4174.7-172.166.9000111.4I96 M100 L101 K106 G107 L109 L156 L157I96-L104 HydrophobicContact CD1-CD2 3.94Å; M100-L104 PolarHBondContact O-N 3.21Å; L101-L104 PolarHBondContact O-N 2.86Å; L104-K106 PolarHBondContact O-N 2.85Å; L104-G107 PolarHBondContact O-N 3.21Å; L104-L109 HydrophobicContact CB-CD2 4.09Å; L104-L109 HydrophobicContact CD1-CB 4.44Å; L104-L109 HydrophobicContact CD1-CD2 4.4Å; L104-L156 HydrophobicContact CD2-CB 4.03Å; L104-L156 HydrophobicContact CG-CB 4.25Å; L104-L157 HydrophobicContact CD1-CD2 4.33Å; L104-L157 HydrophobicContact CD2-CD2 4.09Å; L104-L157 HydrophobicContact CD2-CG 4.21Å
105R72.3Confident73.8Confident145 Ų14570 Ų7055%0.54736%0.361SS..Hα-helixtrans-59.1-28.5174.9-75.1176.6-173.1165.53.7113.5L101 G107 L156L101-R105 WeakPolarHBondContact O-CB 3.48Å; L101-R105 WeakPolarHBondContact O-CG 3.21Å; L101-R105 PolarHBondContact O-N 3.1Å; R105-G107 VanDerWaalsContact C-N 3.33Å; R105-L156 HydrophobicContact CG-CD1 3.55Å
106K71.8Confident73.4Confident164 Ų16472.9 Ų72.971%0.71338%0.377SS*.THydrogen-bonded Turntrans-87.83.2176.4-68.7-179.6-180-169.10113.3R102 R103 L104 N108R102-K106 WeakPolarHBondContact O-CG 3.47Å; R103-K106 PolarHBondContact O-N 3.31Å; L104-K106 PolarHBondContact O-N 2.85Å; K106-N108 PolarHBondContact O-N 2.9Å
107G67.6Low73.6Confident46 Ų4675.4 Ų75.447%0.47439%0.391SS..THydrogen-bonded Turntrans73.30.218000000115.6R103 L104 R105 L109R103-G107 PolarHBondContact O-N 3.48Å; L104-G107 PolarHBondContact O-N 3.21Å; R105-G107 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 3.25Å
108N71.4Confident74Confident123 Ų12378.3 Ų78.366%0.65840%0.398SS*.  trans-97.632.6-170.1-71.2-13000113.4R103 K106R103-N108 PolarHBondContact O-N 2.7Å; R103-N108 VanDerWaalsContact O-N 3.13Å; K106-N108 PolarHBondContact O-N 2.9Å
109L76.4Confident74.8Confident2 Ų278.6 Ų78.61%0.0140%0.395CS..  trans-136.9110-178-170.968.6000111.2M100 R103 L104 G107 S113 I114M100-L109 HydrophobicContact CB-CD2 4.06Å; M100-L109 HydrophobicContact CE-CD1 3.65Å; M100-L109 HydrophobicContact CE-CD2 3.94Å; M100-L109 HydrophobicContact CE-CG 4.36Å; R103-L109 HydrophobicContact CB-CB 4.26Å; L104-L109 HydrophobicContact CB-CD2 4.09Å; L104-L109 HydrophobicContact CD1-CB 4.44Å; L104-L109 HydrophobicContact CD1-CD2 4.4Å; G107-L109 PolarHBondContact O-N 3.25Å; L109-S113 WeakPolarHBondContact CD1-OG 3.22Å; L109-I114 HydrophobicContact CD2-CD1 3.71Å; L109-I114 HydrophobicContact CD2-CG1 3.84Å; L109-I114 HydrophobicContact CG-CD1 4.19Å; L109-I114 HydrophobicContact CG-CG1 4.11Å
110P80.5Confident76Confident75 Ų7574 Ų7449%0.48737%0.371SS..  trans-73.5135.9174.128.2-31.1000110.4R112 S113P110-R112 VanDerWaalsContact C-N 3.26Å; P110-R112 PolarHBondContact O-N 2.98Å; P110-S113 WeakPolarHBondContact O-CB 3.43Å; P110-S113 PolarHBondContact O-N 3.3Å; P110-S113 PolarHBondContact O-OG 3.33Å
111I81.1Confident76.8Confident4 Ų474.8 Ų74.82%0.02137%0.373CS..G310 helixtrans-61.5-34.1-174.4-65.6173000112.2S113 I114 F124 L157 K160 L161I111-S113 PolarHBondContact O-N 3.06Å; I111-S113 VanDerWaalsContact O-N 3.08Å; I111-I114 VanDerWaalsContact O-CB 3.3Å; I111-I114 WeakPolarHBondContact O-CB 3.41Å; I111-I114 PolarHBondContact O-N 3.17Å; I111-F124 HydrophobicContact CB-CZ 4.1Å; I111-F124 HydrophobicContact CG2-CE1 4.36Å; I111-F124 HydrophobicContact CG2-CE2 3.96Å; I111-F124 HydrophobicContact CG2-CZ 3.7Å; I111-L157 HydrophobicContact CD1-CD2 4.04Å; I111-L157 HydrophobicContact CG1-CD2 4.03Å; I111-K160 HydrophobicContact CD1-CB 4.14Å; I111-K160 HydrophobicContact CD1-CG 3.89Å; I111-K160 HydrophobicContact CG1-CG 4.18Å; I111-L161 HydrophobicContact CD1-CB 4.44Å; I111-L161 HydrophobicContact CD1-CD1 4.25Å; I111-L161 HydrophobicContact CD1-CD2 3.44Å; I111-L161 VanDerWaalsContact CD1-CD2 3.44Å; I111-L161 HydrophobicContact CD1-CG 3.37Å
112R81.6Confident77.5Confident126 Ų12676.7 Ų76.748%0.47538%0.382SS..G310 helixtrans-55.2-28.6172.9-174.2177.1-178.2-122.53.6113.5P110 I114 K121 E122 F124P110-R112 VanDerWaalsContact C-N 3.26Å; P110-R112 PolarHBondContact O-N 2.98Å; R112-I114 VanDerWaalsContact C-N 3.27Å; R112-I114 PolarHBondContact O-N 2.83Å; R112-K121 HydrophobicContact CG-CG 4.41Å; R112-E122 IonicContact CZ-OE1 3.5Å; R112-E122 IonicContact NH2-OE1 3Å; R112-E122 PolarHBondContact NH2-OE1 2.87Å; R112-F124 HydrophobicContact CB-CD1 4.45Å
113S80.7Confident78.2Confident58 Ų5871.8 Ų71.841%0.40636%0.363SS..G310 helixtrans-77.5-13.4178.771.10000114.1L109 P110 I111L109-S113 WeakPolarHBondContact CD1-OG 3.22Å; P110-S113 WeakPolarHBondContact O-CB 3.43Å; P110-S113 PolarHBondContact O-N 3.3Å; P110-S113 PolarHBondContact O-OG 3.33Å; I111-S113 PolarHBondContact O-N 3.06Å; I111-S113 VanDerWaalsContact O-N 3.08Å
114I80.6Confident79Confident14 Ų1466.1 Ų66.17%0.07234%0.342CS..THydrogen-bonded Turntrans-86.9-34.1-179.1-53.7178.4000110.6L94 I96 M100 L109 I111 R112 L157L94-I114 WeakPolarHBondContact O-CG2 3.47Å; I96-I114 HydrophobicContact CD1-CD1 4.41Å; I96-I114 HydrophobicContact CG1-CD1 4.3Å; I96-I114 HydrophobicContact CG1-CG2 3.67Å; M100-I114 HydrophobicContact CE-CG1 4.26Å; L109-I114 HydrophobicContact CD2-CD1 3.71Å; L109-I114 HydrophobicContact CD2-CG1 3.84Å; L109-I114 HydrophobicContact CG-CD1 4.19Å; L109-I114 HydrophobicContact CG-CG1 4.11Å; I111-I114 VanDerWaalsContact O-CB 3.3Å; I111-I114 WeakPolarHBondContact O-CB 3.41Å; I111-I114 PolarHBondContact O-N 3.17Å; R112-I114 VanDerWaalsContact C-N 3.27Å; R112-I114 PolarHBondContact O-N 2.83Å; I114-L157 HydrophobicContact CD1-CD2 4.28Å
115I83.1Confident79.6Confident1 Ų167.8 Ų67.81%0.00536%0.358CS..  trans-59.6130-179.9-59.3171.4000108.9I92 L94 D120 K121 F124I92-I115 HydrophobicContact CG2-CG2 4.1Å; L94-I115 HydrophobicContact CD2-CG1 3.66Å; I115-D120 HydrophobicContact CG2-CB 3.51Å; I115-K121 HydrophobicContact CB-CG 3.82Å; I115-K121 HydrophobicContact CG2-CG 3.85Å; I115-K121 WeakPolarHBondContact O-CE 3.36Å; I115-K121 PolarHBondContact O-NZ 2.89Å; I115-F124 HydrophobicContact CD1-CB 3.32Å; I115-F124 HydrophobicContact CD1-CD1 3.89Å; I115-F124 HydrophobicContact CD1-CD2 3.83Å; I115-F124 HydrophobicContact CD1-CG 3.4Å; I115-F124 VanDerWaalsContact CD1-CG 3.4Å
116P70.6Confident80.3Confident88 Ų8866 Ų6657%0.57136%0.363SS*.  trans-76.2-49.8-174.625-30.9000112.1N93 K121N93-P116 WeakPolarHBondContact O-CD 3.46Å; P116-K121 PolarHBondContact O-NZ 3.35Å
117N78.8Confident80.9Confident82 Ų8261.4 Ų61.444%0.43934%0.341SS..SBendtrans-84.7145.6-171.6-1752.3000112.9A119 D120 K121N117-A119 PolarHBondContact OD1-N 2.99Å; N117-A119 VanDerWaalsContact OD1-N 3.14Å; N117-D120 HydrophobicContact CB-CB 4.32Å; N117-D120 WeakPolarHBondContact CB-OD2 3.32Å; N117-D120 PolarHBondContact ND2-OD2 2.84Å; N117-K121 WeakPolarHBondContact O-CG 3.28Å; N117-K121 PolarHBondContact O-N 3.23Å
118H79.8Confident81.7Confident130 Ų13059.9 Ų59.960%0.60232%0.323SS*.Hα-helixtrans-66.1-38.4174.7-170.1-80.5000112.6K121 E122H118-K121 WeakPolarHBondContact O-CB 3.29Å; H118-K121 PolarHBondContact O-N 3.24Å; H118-E122 WeakPolarHBondContact O-CG 3.18Å; H118-E122 PolarHBondContact O-N 3.05Å; H118-E122 VanDerWaalsContact O-N 3.12Å
119A82.3Confident82.4Confident60 Ų6061.5 Ų61.550%0.49632%0.324SS..Hα-helixtrans-61.8-46.5178.500000111.4N117 K121 E122 R123N117-A119 PolarHBondContact OD1-N 2.99Å; N117-A119 VanDerWaalsContact OD1-N 3.14Å; A119-K121 VanDerWaalsContact C-N 3.34Å; A119-K121 PolarHBondContact O-N 3.33Å; A119-E122 PolarHBondContact O-N 3.45Å; A119-R123 PolarHBondContact O-N 2.75Å
120D86Confident82.8Confident41 Ų4165.7 Ų65.722%0.21936%0.359CS..Hα-helixtrans-69-32.2178.1-62.4-43000112.6I92 I115 N117 E122 R123 F124I92-D120 HydrophobicContact CD1-CB 4.11Å; I92-D120 HydrophobicContact CG1-CB 4.21Å; I92-D120 HydrophobicContact CG2-CB 3.86Å; I115-D120 HydrophobicContact CG2-CB 3.51Å; N117-D120 HydrophobicContact CB-CB 4.32Å; N117-D120 WeakPolarHBondContact CB-OD2 3.32Å; N117-D120 PolarHBondContact ND2-OD2 2.84Å; D120-E122 VanDerWaalsContact C-N 3.33Å; D120-E122 PolarHBondContact O-N 3.01Å; D120-R123 PolarHBondContact O-N 3.29Å; D120-F124 VanDerWaalsContact O-CB 3.28Å; D120-F124 WeakPolarHBondContact O-CB 3.35Å; D120-F124 PolarHBondContact O-N 2.56Å
121K84.9Confident83.1Confident57 Ų5762.4 Ų62.425%0.24834%0.338CS..Hα-helixtrans-60-43.5172.4-80.5170.2-168.9167.20111.9R112 I115 P116 N117 H118 A119 A125R112-K121 HydrophobicContact CG-CG 4.41Å; I115-K121 HydrophobicContact CB-CG 3.82Å; I115-K121 HydrophobicContact CG2-CG 3.85Å; I115-K121 WeakPolarHBondContact O-CE 3.36Å; I115-K121 PolarHBondContact O-NZ 2.89Å; P116-K121 PolarHBondContact O-NZ 3.35Å; N117-K121 WeakPolarHBondContact O-CG 3.28Å; N117-K121 PolarHBondContact O-N 3.23Å; H118-K121 WeakPolarHBondContact O-CB 3.29Å; H118-K121 PolarHBondContact O-N 3.24Å; A119-K121 VanDerWaalsContact C-N 3.34Å; A119-K121 PolarHBondContact O-N 3.33Å; K121-A125 VanDerWaalsContact O-CB 3.28Å; K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.33Å
122E84.3Confident83.7Confident75 Ų7563.5 Ų63.535%0.3535%0.345SS..Hα-helixtrans-73.6-38.7179.1-66.9-54.6118.200111.4R112 H118 A119 D120 F124 A125 T126R112-E122 IonicContact CZ-OE1 3.5Å; R112-E122 IonicContact NH2-OE1 3Å; R112-E122 PolarHBondContact NH2-OE1 2.87Å; H118-E122 WeakPolarHBondContact O-CG 3.18Å; H118-E122 PolarHBondContact O-N 3.05Å; H118-E122 VanDerWaalsContact O-N 3.12Å; A119-E122 PolarHBondContact O-N 3.45Å; D120-E122 VanDerWaalsContact C-N 3.33Å; D120-E122 PolarHBondContact O-N 3.01Å; E122-F124 PolarHBondContact O-N 2.89Å; E122-A125 PolarHBondContact O-N 3.3Å; E122-T126 WeakPolarHBondContact O-CB 3.21Å; E122-T126 PolarHBondContact O-N 2.98Å; E122-T126 PolarHBondContact O-OG1 3.3Å
123R84.4Confident84.3Confident73 Ų7357.5 Ų57.528%0.27532%0.323SS..Hα-helixtrans-58.9-47.1172.8-170.8176.2179.6-155.1-5.5111.2T90 A119 D120 R127T90-R123 PolarHBondContact O-NH1 3.22Å; T90-R123 PolarHBondContact O-NH2 2.92Å; T90-R123 PolarHBondContact OG1-NH2 3.3Å; A119-R123 PolarHBondContact O-N 2.75Å; D120-R123 PolarHBondContact O-N 3.29Å; R123-R127 WeakPolarHBondContact O-CB 3.43Å; R123-R127 PolarHBondContact O-N 2.87Å
124F88.3Confident84.9Confident14 Ų1454.8 Ų54.86%0.06130%0.303CS..Hα-helixtrans-62.5-48.8175179.1-89.2000111.7L73 L75 I111 R112 I115 D120 E122 T126 R127 C128 L161L73-F124 HydrophobicContact CD2-CD2 3.73Å; L73-F124 HydrophobicContact CD2-CE2 4.24Å; L73-F124 HydrophobicContact CD2-CG 4.46Å; L75-F124 HydrophobicContact CD1-CE2 4.17Å; L75-F124 HydrophobicContact CD2-CD2 4.24Å; I111-F124 HydrophobicContact CB-CZ 4.1Å; I111-F124 HydrophobicContact CG2-CE1 4.36Å; I111-F124 HydrophobicContact CG2-CE2 3.96Å; I111-F124 HydrophobicContact CG2-CZ 3.7Å; R112-F124 HydrophobicContact CB-CD1 4.45Å; I115-F124 HydrophobicContact CD1-CB 3.32Å; I115-F124 HydrophobicContact CD1-CD1 3.89Å; I115-F124 HydrophobicContact CD1-CD2 3.83Å; I115-F124 HydrophobicContact CD1-CG 3.4Å; I115-F124 VanDerWaalsContact CD1-CG 3.4Å; D120-F124 VanDerWaalsContact O-CB 3.28Å; D120-F124 WeakPolarHBondContact O-CB 3.35Å; D120-F124 PolarHBondContact O-N 2.56Å; E122-F124 PolarHBondContact O-N 2.89Å; F124-T126 VanDerWaalsContact C-N 3.26Å; F124-T126 PolarHBondContact O-N 3.33Å; F124-R127 PolarHBondContact O-N 2.96Å; F124-C128 HydrophobicContact CD1-CB 4.3Å; F124-C128 HydrophobicContact CD2-CB 4.39Å; F124-C128 HydrophobicContact CE1-CB 4.02Å; F124-C128 HydrophobicContact CE2-CB 4.11Å; F124-C128 HydrophobicContact CG-CB 4.47Å; F124-C128 HydrophobicContact CZ-CB 3.91Å; F124-C128 WeakPolarHBondContact O-CB 3.34Å; F124-C128 PolarHBondContact O-N 3.09Å; F124-C128 PolarHBondContact O-SG 2.86Å; F124-C128 VanDerWaalsContact O-SG 3.38Å; F124-L161 HydrophobicContact CE2-CD2 3.98Å; F124-L161 HydrophobicContact CZ-CD2 3.72Å
125A86.1Confident85.6Confident46 Ų4654.1 Ų54.138%0.3830%0.3SS..Hα-helixtrans-60.6-36.2-178.400000112.9K121 E122K121-A125 VanDerWaalsContact O-CB 3.28Å; K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.33Å; E122-A125 PolarHBondContact O-N 3.3Å
126T85.3Confident86.1Confident107 Ų10754 Ų5466%0.65630%0.3SS*.Hα-helixtrans-76.9-36-180-52.10000111.9E122 F124E122-T126 WeakPolarHBondContact O-CB 3.21Å; E122-T126 PolarHBondContact O-N 2.98Å; E122-T126 PolarHBondContact O-OG1 3.3Å; F124-T126 VanDerWaalsContact C-N 3.26Å; F124-T126 PolarHBondContact O-N 3.33Å
127R84.4Confident87Confident68 Ų6851.4 Ų51.426%0.25728%0.281SS..Hα-helixtrans-101.4-23.4-170.1-71.7-168.2150.7-158.4-0.4115.7G69 A70 L72 L73 R123 F124 K129 A130 A131G69-R127 PolarHBondContact O-NH1 2.7Å; A70-R127 PolarHBondContact O-NH1 3.01Å; A70-R127 PolarHBondContact O-NH2 3Å; L72-R127 PolarHBondContact O-NH1 3.08Å; L73-R127 HydrophobicContact CD1-CB 4.47Å; L73-R127 HydrophobicContact CD2-CB 4.35Å; R123-R127 WeakPolarHBondContact O-CB 3.43Å; R123-R127 PolarHBondContact O-N 2.87Å; F124-R127 PolarHBondContact O-N 2.96Å; R127-K129 PolarHBondContact O-N 3.08Å; R127-A130 PolarHBondContact O-N 2.72Å; R127-A131 HydrophobicContact CB-CB 4.05Å; R127-A131 WeakPolarHBondContact O-CB 3.11Å; R127-A131 PolarHBondContact O-N 3.27Å
128C84.4Confident87.4Confident14 Ų1450.6 Ų50.610%0.09527%0.274CS..THydrogen-bonded Turntrans-56.3-29.4-168.1640000114.7L73 F124 C166L73-C128 HydrophobicContact CD2-CB 4.33Å; F124-C128 HydrophobicContact CD1-CB 4.3Å; F124-C128 HydrophobicContact CD2-CB 4.39Å; F124-C128 HydrophobicContact CE1-CB 4.02Å; F124-C128 HydrophobicContact CE2-CB 4.11Å; F124-C128 HydrophobicContact CG-CB 4.47Å; F124-C128 HydrophobicContact CZ-CB 3.91Å; F124-C128 WeakPolarHBondContact O-CB 3.34Å; F124-C128 PolarHBondContact O-N 3.09Å; F124-C128 PolarHBondContact O-SG 2.86Å; F124-C128 VanDerWaalsContact O-SG 3.38Å; C128-C166 VanDerWaalsContact O-CB 3.26Å; C128-C166 WeakPolarHBondContact O-CB 3.25Å; C128-C166 PolarHBondContact O-SG 3.31Å
129K86.2Confident87.8Confident156 Ų15647.1 Ų47.168%0.67827%0.268SS*.THydrogen-bonded Turntrans-96.8-18.7178.1-64.7-174.1177.9-174.70114.7R127R127-K129 PolarHBondContact O-N 3.08Å
130A85.1Confident87.8Confident90 Ų9046 Ų4674%0.74426%0.255SS*.THydrogen-bonded Turntrans-104.5-22.9-173.300000113.1R127R127-A130 PolarHBondContact O-N 2.72Å
131A88.3Confident87.1Confident6 Ų646.4 Ų46.45%0.0526%0.264CS..SBendtrans-106159.1-178.900000111.3S71 L73 R127 V133S71-A131 WeakPolarHBondContact O-CA 3.38Å; S71-A131 VanDerWaalsContact O-CB 3.3Å; S71-A131 WeakPolarHBondContact O-CB 3.49Å; L73-A131 HydrophobicContact CB-CB 4.38Å; R127-A131 HydrophobicContact CB-CB 4.05Å; R127-A131 WeakPolarHBondContact O-CB 3.11Å; R127-A131 PolarHBondContact O-N 3.27Å; A131-V133 PolarHBondContact O-N 2.95Å
132T91.9Very high86.5Confident28 Ų2849.8 Ų49.817%0.17228%0.281CS..EExtended strand (participates in β ladder)trans-70124.6164.4-57.70000108.2W59 S71 L72 L73 Y169W59-T132 HydrophobicContact CH2-CG2 3.97Å; S71-T132 PolarHBondContact O-N 2.73Å; L72-T132 HydrophobicContact CD1-CG2 4.34Å; L73-T132 PolarHBondContact N-O 3Å; T132-Y169 HydrophobicContact CG2-CD2 3.75Å; T132-Y169 HydrophobicContact CG2-CE2 3.95Å
133V94.3Very high86Confident0 Ų048.6 Ų48.60%027%0.273CS..EExtended strand (participates in β ladder)trans-98.2120.8178-1730000108.5L73 L75 A131 L135 L161 C166 Q167 A168 Y169L73-V133 HydrophobicContact CB-CG2 4.34Å; L73-V133 HydrophobicContact CD2-CG1 4.43Å; L73-V133 HydrophobicContact CD2-CG2 4.1Å; L73-V133 WeakPolarHBondContact O-CA 3.47Å; L75-V133 HydrophobicContact CD1-CG1 3.4Å; L75-V133 HydrophobicContact CG-CG1 4.05Å; A131-V133 PolarHBondContact O-N 2.95Å; V133-L135 HydrophobicContact CG1-CD1 4.09Å; V133-L161 HydrophobicContact CG1-CD1 4.01Å; V133-C166 HydrophobicContact CG2-CB 4.17Å; V133-Q167 PolarHBondContact N-O 3.05Å; V133-A168 HydrophobicContact CB-CB 4.29Å; V133-A168 CarbonylContact O-C 3.6Å; V133-A168 VanDerWaalsContact O-CA 3.28Å; V133-A168 WeakPolarHBondContact O-CA 3.5Å; V133-Y169 PolarHBondContact O-N 3.34Å
134L94.6Very high85Confident0 Ų051.3 Ų51.30%029%0.289CS..EExtended strand (participates in β ladder)trans-118.9123.9179.1-173.373000109.9K55 W59 L60 L72 L73 L74 L75 Y169 L171K55-L134 HydrophobicContact CB-CD1 3.93Å; K55-L134 HydrophobicContact CG-CD1 4.06Å; W59-L134 HydrophobicContact CZ3-CD2 4.26Å; L60-L134 HydrophobicContact CB-CD2 4.3Å; L60-L134 HydrophobicContact CD1-CD2 3.74Å; L60-L134 HydrophobicContact CD2-CD2 3.77Å; L60-L134 HydrophobicContact CG-CD2 4.15Å; L72-L134 HydrophobicContact CD1-CB 4.13Å; L73-L134 PolarHBondContact O-N 3.37Å; L74-L134 WeakPolarHBondContact CA-O 3.42Å; L74-L134 HydrophobicContact CD2-CB 4.08Å; L74-L134 HydrophobicContact CD2-CD2 3.88Å; L74-L134 HydrophobicContact CD2-CG 4.36Å; L75-L134 PolarHBondContact N-O 3.31Å; L134-Y169 WeakPolarHBondContact CA-O 3.19Å; L134-L171 HydrophobicContact CD1-CB 4.49Å; L134-L171 HydrophobicContact CD2-CB 4.39Å; L134-L171 HydrophobicContact CD2-CD1 4.38Å; L134-L171 HydrophobicContact CG-CB 4.45Å
135L94.7Very high83.7Confident0 Ų054.7 Ų54.70%031%0.313CS..EExtended strand (participates in β ladder)trans-105.7143.3179.4-61.784.6000109.5L75 V133 L154 L157 L158 L161 A168 Y169 Y170 L171L75-L135 HydrophobicContact CB-CG 4.16Å; L75-L135 HydrophobicContact CD1-CG 4.15Å; L75-L135 WeakPolarHBondContact O-CA 3.42Å; V133-L135 HydrophobicContact CG1-CD1 4.09Å; L135-L154 HydrophobicContact CB-CD1 3.6Å; L135-L154 HydrophobicContact CD2-CD1 4.33Å; L135-L157 HydrophobicContact CD2-CB 3.72Å; L135-L157 HydrophobicContact CD2-CD1 4.4Å; L135-L158 HydrophobicContact CD1-CD1 3.97Å; L135-L161 HydrophobicContact CD1-CD1 3.65Å; L135-L161 HydrophobicContact CD2-CD1 3.78Å; L135-L161 HydrophobicContact CG-CD1 4.14Å; L135-A168 HydrophobicContact CD1-CB 4.15Å; L135-Y169 VanDerWaalsContact CD1-O 3.31Å; L135-Y169 WeakPolarHBondContact CD1-O 3.4Å; L135-Y169 PolarHBondContact N-O 3.05Å; L135-Y170 CarbonylContact O-C 3.56Å; L135-Y170 WeakPolarHBondContact O-CA 3.26Å; L135-L171 PolarHBondContact O-N 3.01Å
136Y93.6Very high82.2Confident0 Ų058.3 Ų58.30%032%0.322CS..EExtended strand (participates in β ladder)trans-142.5149.2171.965.9-92.3000111.1L75 D76 C77 I88 A91 L171 F175L75-Y136 PolarHBondContact O-N 3.14Å; L75-Y136 VanDerWaalsContact O-N 3.11Å; D76-Y136 HydrophobicContact CB-CE1 4.15Å; D76-Y136 HydrophobicContact CB-CE2 3.93Å; D76-Y136 VanDerWaalsContact CB-OH 3.31Å; D76-Y136 WeakPolarHBondContact CB-OH 3.49Å; D76-Y136 VanDerWaalsContact CG-CZ 3.45Å; D76-Y136 VanDerWaalsContact CG-OH 3.27Å; D76-Y136 WeakPolarHBondContact OD2-CE2 3.32Å; D76-Y136 PolarHBondContact OD2-OH 3.34Å; C77-Y136 VanDerWaalsContact CB-O 3.31Å; C77-Y136 WeakPolarHBondContact CB-O 3.5Å; C77-Y136 PolarHBondContact N-O 3.31Å; I88-Y136 HydrophobicContact CB-CE1 4.31Å; I88-Y136 HydrophobicContact CD1-CD1 3.99Å; I88-Y136 HydrophobicContact CD1-CE1 3.75Å; I88-Y136 HydrophobicContact CD1-CE2 4.37Å; I88-Y136 HydrophobicContact CD1-CG 4.4Å; I88-Y136 HydrophobicContact CG1-CE1 4.07Å; I88-Y136 HydrophobicContact CG1-CE2 4.4Å; I88-Y136 PolarHBondContact N-OH 3.07Å; A91-Y136 HydrophobicContact CB-CE1 4.12Å; A91-Y136 WeakPolarHBondContact CB-OH 3.26Å; Y136-L171 HydrophobicContact CG-CD2 4.3Å; Y136-F175 HydrophobicContact CD2-CB 3.87Å; Y136-F175 HydrophobicContact CD2-CD2 4.31Å; Y136-F175 HydrophobicContact CE2-CB 3.99Å; Y136-F175 AromaticContact CE2-CD2 3.7Å; Y136-F175 HydrophobicContact CE2-CD2 3.7Å; Y136-F175 HydrophobicContact CE2-CG 4.21Å
137D90.1Very high80.5Confident32 Ų3259.5 Ų59.517%0.17133%0.331CS..  trans-114.3-159.8169.367.31.1000109.3A139 T140 L154 G174 F175D137-A139 PolarHBondContact OD1-N 3.07Å; D137-T140 VanDerWaalsContact CG-OG1 3.29Å; D137-T140 VanDerWaalsContact OD1-CB 3.23Å; D137-T140 WeakPolarHBondContact OD1-CB 3.4Å; D137-T140 PolarHBondContact OD1-N 3.38Å; D137-T140 PolarHBondContact OD1-OG1 3.15Å; D137-T140 VanDerWaalsContact OD2-CB 3.3Å; D137-T140 WeakPolarHBondContact OD2-CB 3.38Å; D137-T140 PolarHBondContact OD2-OG1 2.82Å; D137-L154 HydrophobicContact CB-CD2 4.37Å; D137-G174 CarbonylContact O-C 3.56Å; D137-G174 WeakPolarHBondContact O-CA 3.19Å; D137-F175 PolarHBondContact O-N 3.48Å
138E87.2Confident79.1Confident66 Ų6660.2 Ų60.231%0.30836%0.36SS..SBendtrans-65.7-46.9-177.3-166.865.6-167.600113R78 L82 F175 N176R78-E138 WeakPolarHBondContact CD-OE2 3.1Å; R78-E138 IonicContact NH1-OE2 3.99Å; L82-E138 WeakPolarHBondContact CD1-OE2 3.42Å; E138-F175 PolarHBondContact O-N 3.27Å; E138-N176 WeakPolarHBondContact O-CB 3.36Å; E138-N176 PolarHBondContact O-N 2.81Å; E138-N176 PolarHBondContact O-ND2 3.14Å; E138-N176 PolarHBondContact OE1-ND2 2.74Å; E138-N176 PolarHBondContact OE1-OD1 3.34Å; E138-N176 VanDerWaalsContact OE1-OD1 3.11Å
139A86.6Confident77.7Confident57 Ų5762.3 Ų62.347%0.47138%0.378SS..SBendtrans-158.117-16500000116.2D137 A141 G173D137-A139 PolarHBondContact OD1-N 3.07Å; A139-A141 PolarHBondContact O-N 3.28Å; A139-G173 WeakPolarHBondContact CA-O 3.45Å
140T83.1Confident76.4Confident35 Ų3560 Ų6022%0.21538%0.379CS..  trans-67.1108.7-176.6-73.50000111.9D137 L154 Y170 G173D137-T140 VanDerWaalsContact CG-OG1 3.29Å; D137-T140 VanDerWaalsContact OD1-CB 3.23Å; D137-T140 WeakPolarHBondContact OD1-CB 3.4Å; D137-T140 PolarHBondContact OD1-N 3.38Å; D137-T140 PolarHBondContact OD1-OG1 3.15Å; D137-T140 VanDerWaalsContact OD2-CB 3.3Å; D137-T140 WeakPolarHBondContact OD2-CB 3.38Å; D137-T140 PolarHBondContact OD2-OG1 2.82Å; T140-L154 HydrophobicContact CG2-CD2 4.19Å; T140-Y170 HydrophobicContact CG2-CD2 4.38Å; T140-Y170 HydrophobicContact CG2-CE2 4.12Å; T140-G173 WeakPolarHBondContact O-CA 3.41Å; T140-G173 PolarHBondContact O-N 3.32Å
141A72.2Confident75.6Confident51 Ų5158.2 Ų58.242%0.42136%0.364SS..  trans-93.8-34.7-178.300000114.3A139 Q172A139-A141 PolarHBondContact O-N 3.28Å; A141-Q172 WeakPolarHBondContact O-CG 3.28Å; A141-Q172 PolarHBondContact O-NE2 2.95Å; A141-Q172 VanDerWaalsContact O-NE2 3.11Å
142E72.5Confident75.1Confident128 Ų12860.5 Ų60.560%0.59838%0.38SS*.SBendtrans-139.2139.2179.2-70.4-175.1-179.500110.5Q144E142-Q144 HydrophobicContact CB-CG 4.38Å; E142-Q144 PolarHBondContact O-N 2.83Å; E142-Q144 PolarHBondContact OE2-NE2 3.37Å
143W72.5Confident74.6Confident50 Ų5061.4 Ų61.419%0.18939%0.385CS..  trans-80.296.2174.7-167.7-92.1000109.8M52 P145 S152 Y170M52-W143 HydrophobicContact CB-CB 4.08Å; M52-W143 HydrophobicContact CB-CD2 3.7Å; M52-W143 HydrophobicContact CB-CE3 4.19Å; M52-W143 HydrophobicContact CB-CG 3.58Å; M52-W143 HydrophobicContact CE-CZ2 4.34Å; M52-W143 HydrophobicContact CG-CD2 3.5Å; M52-W143 VanDerWaalsContact CG-CD2 3.5Å; M52-W143 VanDerWaalsContact CG-CE2 3.44Å; M52-W143 HydrophobicContact CG-CE3 4.17Å; M52-W143 HydrophobicContact CG-CG 3.67Å; M52-W143 HydrophobicContact CG-CZ2 4.16Å; W143-P145 VanDerWaalsContact O-CD 3.24Å; W143-P145 WeakPolarHBondContact O-CD 3.42Å; W143-S152 VanDerWaalsContact CH2-OG 3.26Å; W143-S152 WeakPolarHBondContact CH2-OG 3.44Å; W143-Y170 HydrophobicContact CB-CE1 4.21Å; W143-Y170 HydrophobicContact CE3-CE1 4.46Å; W143-Y170 PolarHBondContact N-OH 3.01Å
144Q64.8Low74.2Confident129 Ų12961.7 Ų61.760%0.60339%0.387SS*.  trans-107.792.7174.1-61.8-155.70.500110.3E142 E146E142-Q144 HydrophobicContact CB-CG 4.38Å; E142-Q144 PolarHBondContact O-N 2.83Å; E142-Q144 PolarHBondContact OE2-NE2 3.37Å; Q144-E146 VanDerWaalsContact C-N 3.33Å; Q144-E146 PolarHBondContact O-N 3.26Å
145P59.6Low73.7Confident86 Ų8661.8 Ų61.856%0.55839%0.388SS*.  trans-7591.8172.129.7-27.6000108W143W143-P145 VanDerWaalsContact O-CD 3.24Å; W143-P145 WeakPolarHBondContact O-CD 3.42Å
146E55.2Low73.3Confident121 Ų12163.5 Ų63.557%0.56540%0.397SS*.  trans-60126.7170.6-72.1-62.2112.700109.3Q144 G148 A149Q144-E146 VanDerWaalsContact C-N 3.33Å; Q144-E146 PolarHBondContact O-N 3.26Å; E146-G148 PolarHBondContact O-N 2.58Å; E146-A149 HydrophobicContact CB-CB 3.83Å; E146-A149 PolarHBondContact O-N 3.03Å
147P50.6Low73Confident132 Ų13263.5 Ų63.586%0.85740%0.397SS*.THydrogen-bonded Turntrans-58111.1178.2-21.331.1000110.6
148G54.4Low72.9Confident84 Ų8462 Ų6287%0.86639%0.389SS*.THydrogen-bonded Turntrans98.5-3.8179.200000115.8E146E146-G148 PolarHBondContact O-N 2.58Å
149A55.4Low72.8Confident58 Ų5862.7 Ų62.748%0.47939%0.392SS..SBendtrans-76.6142.4172.100000111.4E146 A151E146-A149 HydrophobicContact CB-CB 3.83Å; E146-A149 PolarHBondContact O-N 3.03Å; A149-A151 PolarHBondContact O-N 3.36Å
150P58.5Low72.8Confident106 Ų10662.5 Ų62.569%0.68838%0.381SS*.PPolyproline II helixtrans-61.5127.717425.2-31.9000109.5S152P150-S152 PolarHBondContact O-N 2.81Å
151A67.9Low73.1Confident53 Ų5360.9 Ų60.944%0.43837%0.371SS..PPolyproline II helixtrans-50.6129.6178.800000110.9A149 L156A149-A151 PolarHBondContact O-N 3.36Å; A151-L156 HydrophobicContact CB-CD1 4.47Å; A151-L156 HydrophobicContact CB-CD2 3.71Å; A151-L156 HydrophobicContact CB-CG 3.82Å
152S78.6Confident73.9Confident54 Ų5464.2 Ų64.238%0.37837%0.373SS..PPolyproline II helixtrans-61.4155.5178.5760000110.5W143 P150 L154 G155 L156W143-S152 VanDerWaalsContact CH2-OG 3.26Å; W143-S152 WeakPolarHBondContact CH2-OG 3.44Å; P150-S152 PolarHBondContact O-N 2.81Å; S152-L154 VanDerWaalsContact C-N 3.26Å; S152-L154 PolarHBondContact O-N 3.02Å; S152-G155 PolarHBondContact O-N 2.98Å; S152-G155 PolarHBondContact OG-N 2.87Å; S152-L156 WeakPolarHBondContact O-CG 3.13Å; S152-L156 PolarHBondContact O-N 2.86Å
153V79.6Confident74.5Confident47 Ų4763.1 Ų63.129%0.28537%0.371SS..Hα-helixtrans-58-43.1-179.6-177.50000110.9I96 L101 G155 L156 L157I96-V153 HydrophobicContact CD1-CG1 3.47Å; I96-V153 VanDerWaalsContact CD1-CG1 3.47Å; L101-V153 HydrophobicContact CD1-CG2 4.25Å; L101-V153 HydrophobicContact CD2-CB 4.25Å; L101-V153 HydrophobicContact CD2-CG1 3.75Å; L101-V153 HydrophobicContact CD2-CG2 3.51Å; V153-G155 VanDerWaalsContact C-N 3.3Å; V153-G155 PolarHBondContact O-N 3.42Å; V153-L156 PolarHBondContact O-N 3.08Å; V153-L157 HydrophobicContact CG1-CD1 4.32Å; V153-L157 WeakPolarHBondContact O-CG 3.34Å; V153-L157 PolarHBondContact O-N 3.25Å
154L85.9Confident75.1Confident6 Ų664 Ų643%0.03138%0.379CS..Hα-helixtrans-56.9-42.6174.5-175.364.4000111.5C77 L135 D137 T140 S152 L158 Y170C77-L154 HydrophobicContact CB-CD1 4.47Å; L135-L154 HydrophobicContact CB-CD1 3.6Å; L135-L154 HydrophobicContact CD2-CD1 4.33Å; D137-L154 HydrophobicContact CB-CD2 4.37Å; T140-L154 HydrophobicContact CG2-CD2 4.19Å; S152-L154 VanDerWaalsContact C-N 3.26Å; S152-L154 PolarHBondContact O-N 3.02Å; L154-L158 WeakPolarHBondContact O-CB 3.41Å; L154-L158 PolarHBondContact O-N 2.98Å; L154-Y170 HydrophobicContact CD2-CD2 4.48Å
155G85.1Confident76.2Confident3 Ų360.4 Ų60.43%0.03138%0.377CS..Hα-helixtrans-67.7-43.7177.700000114.9S152 V153 L157 L158 Q159S152-G155 PolarHBondContact O-N 2.98Å; S152-G155 PolarHBondContact OG-N 2.87Å; V153-G155 VanDerWaalsContact C-N 3.3Å; V153-G155 PolarHBondContact O-N 3.42Å; G155-L157 VanDerWaalsContact C-N 3.28Å; G155-L157 PolarHBondContact O-N 3.31Å; G155-L158 PolarHBondContact O-N 3.14Å; G155-Q159 VanDerWaalsContact O-CB 3.29Å; G155-Q159 WeakPolarHBondContact O-CB 3.11Å; G155-Q159 PolarHBondContact O-N 2.94Å
156L85.6Confident77.6Confident36 Ų3656.9 Ų56.919%0.18836%0.355CS..Hα-helixtrans-61.4-41.9177.6-70.3171000110.9L104 R105 A151 S152 V153 K160L104-L156 HydrophobicContact CD2-CB 4.03Å; L104-L156 HydrophobicContact CG-CB 4.25Å; R105-L156 HydrophobicContact CG-CD1 3.55Å; A151-L156 HydrophobicContact CB-CD1 4.47Å; A151-L156 HydrophobicContact CB-CD2 3.71Å; A151-L156 HydrophobicContact CB-CG 3.82Å; S152-L156 WeakPolarHBondContact O-CG 3.13Å; S152-L156 PolarHBondContact O-N 2.86Å; V153-L156 PolarHBondContact O-N 3.08Å; L156-K160 WeakPolarHBondContact O-CB 3.28Å; L156-K160 PolarHBondContact O-N 3.27Å
157L86.9Confident79.3Confident0 Ų056.4 Ų56.40%035%0.352CS..Hα-helixtrans-66.6-47.1175.5-75.2176.1000112.2L94 I96 L104 I111 I114 L135 V153 G155 Q159 K160 L161L94-L157 HydrophobicContact CD1-CD1 4.03Å; I96-L157 HydrophobicContact CD1-CD1 3.66Å; I96-L157 HydrophobicContact CD1-CD2 4.02Å; I96-L157 HydrophobicContact CD1-CG 3.98Å; L104-L157 HydrophobicContact CD1-CD2 4.33Å; L104-L157 HydrophobicContact CD2-CD2 4.09Å; L104-L157 HydrophobicContact CD2-CG 4.21Å; I111-L157 HydrophobicContact CD1-CD2 4.04Å; I111-L157 HydrophobicContact CG1-CD2 4.03Å; I114-L157 HydrophobicContact CD1-CD2 4.28Å; L135-L157 HydrophobicContact CD2-CB 3.72Å; L135-L157 HydrophobicContact CD2-CD1 4.4Å; V153-L157 HydrophobicContact CG1-CD1 4.32Å; V153-L157 WeakPolarHBondContact O-CG 3.34Å; V153-L157 PolarHBondContact O-N 3.25Å; G155-L157 VanDerWaalsContact C-N 3.28Å; G155-L157 PolarHBondContact O-N 3.31Å; L157-Q159 PolarHBondContact O-N 3.25Å; L157-K160 PolarHBondContact O-N 3.39Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 3.36Å
158L88.5Confident81.4Confident0 Ų050.3 Ų50.30%031%0.313CS..Hα-helixtrans-60.1-46.6179.5-175.165.6000111M52 L135 L154 G155 L161 R162 A168 Y170M52-L158 HydrophobicContact CB-CD2 3.88Å; M52-L158 HydrophobicContact CE-CB 4.26Å; M52-L158 HydrophobicContact CE-CD2 3.93Å; M52-L158 HydrophobicContact CE-CG 4.16Å; M52-L158 HydrophobicContact CG-CD2 4.01Å; M52-L158 HydrophobicContact SD-CD2 3.76Å; M52-L158 HydrophobicContact SD-CG 4.31Å; L135-L158 HydrophobicContact CD1-CD1 3.97Å; L154-L158 WeakPolarHBondContact O-CB 3.41Å; L154-L158 PolarHBondContact O-N 2.98Å; G155-L158 PolarHBondContact O-N 3.14Å; L158-L161 PolarHBondContact O-N 2.93Å; L158-R162 WeakPolarHBondContact O-CG 3.25Å; L158-R162 PolarHBondContact O-N 3.04Å; L158-A168 HydrophobicContact CD1-CB 3.73Å; L158-Y170 HydrophobicContact CD2-CD1 4.1Å
159Q86.5Confident83.3Confident81 Ų8149.3 Ų49.338%0.37928%0.283SS..Hα-helixtrans-61.1-48.3175.8-173.262.342.600111M52 G155 L157 L161 R162 D163M52-Q159 HydrophobicContact CE-CB 4.22Å; G155-Q159 VanDerWaalsContact O-CB 3.29Å; G155-Q159 WeakPolarHBondContact O-CB 3.11Å; G155-Q159 PolarHBondContact O-N 2.94Å; L157-Q159 PolarHBondContact O-N 3.25Å; Q159-L161 PolarHBondContact O-N 3.06Å; Q159-R162 PolarHBondContact O-N 3.38Å; Q159-R162 VanDerWaalsContact O-N 3.15Å; Q159-D163 PolarHBondContact NE2-OD1 3.48Å; Q159-D163 PolarHBondContact O-N 3.5Å
160K86.6Confident85.1Confident52 Ų5246.9 Ų46.923%0.22626%0.262CS..Hα-helixtrans-62.1-40.5-178.3-178.656.7-179.9151.30112.7I111 L156 L157 R162 D163 D164I111-K160 HydrophobicContact CD1-CB 4.14Å; I111-K160 HydrophobicContact CD1-CG 3.89Å; I111-K160 HydrophobicContact CG1-CG 4.18Å; L156-K160 WeakPolarHBondContact O-CB 3.28Å; L156-K160 PolarHBondContact O-N 3.27Å; L157-K160 PolarHBondContact O-N 3.39Å; K160-R162 VanDerWaalsContact C-N 3.32Å; K160-R162 PolarHBondContact O-N 3.26Å; K160-D163 PolarHBondContact O-N 3.3Å; K160-D164 WeakPolarHBondContact CE-OD1 2.76Å; K160-D164 WeakPolarHBondContact CE-OD2 3.35Å; K160-D164 IonicContact NZ-OD1 3.91Å; K160-D164 PolarHBondContact NZ-OD1 2.84Å; K160-D164 IonicContact NZ-OD2 3.68Å; K160-D164 WeakPolarHBondContact O-CB 3.4Å; K160-D164 VanDerWaalsContact O-CG 3.25Å; K160-D164 PolarHBondContact O-N 2.85Å
161L88.9Confident86.8Confident1 Ų141.9 Ų41.91%0.00523%0.229CC..Hα-helixtrans-63.2-39.6175.8-75.6166.7000112L75 I111 F124 V133 L135 L157 L158 Q159 D164 G165 C166 A168L75-L161 HydrophobicContact CD1-CD1 3.95Å; I111-L161 HydrophobicContact CD1-CB 4.44Å; I111-L161 HydrophobicContact CD1-CD1 4.25Å; I111-L161 HydrophobicContact CD1-CD2 3.44Å; I111-L161 VanDerWaalsContact CD1-CD2 3.44Å; I111-L161 HydrophobicContact CD1-CG 3.37Å; F124-L161 HydrophobicContact CE2-CD2 3.98Å; F124-L161 HydrophobicContact CZ-CD2 3.72Å; V133-L161 HydrophobicContact CG1-CD1 4.01Å; L135-L161 HydrophobicContact CD1-CD1 3.65Å; L135-L161 HydrophobicContact CD2-CD1 3.78Å; L135-L161 HydrophobicContact CG-CD1 4.14Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 3.36Å; L158-L161 PolarHBondContact O-N 2.93Å; Q159-L161 PolarHBondContact O-N 3.06Å; L161-D164 CarbonylContact O-C 3.46Å; L161-D164 PolarHBondContact O-N 3.24Å; L161-G165 PolarHBondContact O-N 2.78Å; L161-C166 HydrophobicContact CB-CB 4.14Å; L161-C166 HydrophobicContact CD2-CB 4.46Å; L161-C166 VanDerWaalsContact O-CB 3.23Å; L161-C166 WeakPolarHBondContact O-CB 3.16Å; L161-C166 PolarHBondContact O-N 2.88Å; L161-C166 PolarHBondContact O-SG 3.26Å; L161-C166 VanDerWaalsContact O-SG 3.39Å; L161-A168 HydrophobicContact CB-CB 3.71Å; L161-A168 HydrophobicContact CD1-CB 4.16Å
162R87.8Confident88Confident121 Ų12142.3 Ų42.346%0.45722%0.222SC..Hα-helixtrans-69.3-41.7177.3-68.8-177.571.7-155.51.4111.8L158 Q159 K160 D164 G165 A168L158-R162 WeakPolarHBondContact O-CG 3.25Å; L158-R162 PolarHBondContact O-N 3.04Å; Q159-R162 PolarHBondContact O-N 3.38Å; Q159-R162 VanDerWaalsContact O-N 3.15Å; K160-R162 VanDerWaalsContact C-N 3.32Å; K160-R162 PolarHBondContact O-N 3.26Å; R162-D164 PolarHBondContact O-N 2.92Å; R162-G165 WeakPolarHBondContact O-CA 3.49Å; R162-G165 PolarHBondContact O-N 3.44Å; R162-A168 HydrophobicContact CG-CB 4.11Å
163D86.4Confident88.3Confident105 Ų10540.1 Ų40.156%0.56121%0.209SC*.Hα-helixtrans-60.2-34.4173.8-64-15.8000111.3Q159 K160 G165Q159-D163 PolarHBondContact NE2-OD1 3.48Å; Q159-D163 PolarHBondContact O-N 3.5Å; K160-D163 PolarHBondContact O-N 3.3Å; D163-G165 PolarHBondContact O-N 2.92Å
164D84.9Confident88.9Confident68 Ų6837.9 Ų37.936%0.36420%0.195SC..THydrogen-bonded Turntrans-812.5175.6-67.6-9.4000113.2K160 L161 R162K160-D164 WeakPolarHBondContact CE-OD1 2.76Å; K160-D164 WeakPolarHBondContact CE-OD2 3.35Å; K160-D164 IonicContact NZ-OD1 3.91Å; K160-D164 PolarHBondContact NZ-OD1 2.84Å; K160-D164 IonicContact NZ-OD2 3.68Å; K160-D164 WeakPolarHBondContact O-CB 3.4Å; K160-D164 VanDerWaalsContact O-CG 3.25Å; K160-D164 PolarHBondContact O-N 2.85Å; L161-D164 CarbonylContact O-C 3.46Å; L161-D164 PolarHBondContact O-N 3.24Å; R162-D164 PolarHBondContact O-N 2.92Å
165G86.4Confident89.3Confident55 Ų5537.7 Ų37.757%0.56719%0.194SC*.THydrogen-bonded Turntrans8716.2173.700000115.8L161 R162 D163L161-G165 PolarHBondContact O-N 2.78Å; R162-G165 WeakPolarHBondContact O-CA 3.49Å; R162-G165 PolarHBondContact O-N 3.44Å; D163-G165 PolarHBondContact O-N 2.92Å
166C89.7Confident89.6Confident12 Ų1240.4 Ų40.48%0.08121%0.208CC..  trans-84.3147.1178.6-50.70000111.5C128 V133 L161 A168C128-C166 VanDerWaalsContact O-CB 3.26Å; C128-C166 WeakPolarHBondContact O-CB 3.25Å; C128-C166 PolarHBondContact O-SG 3.31Å; V133-C166 HydrophobicContact CG2-CB 4.17Å; L161-C166 HydrophobicContact CB-CB 4.14Å; L161-C166 HydrophobicContact CD2-CB 4.46Å; L161-C166 VanDerWaalsContact O-CB 3.23Å; L161-C166 WeakPolarHBondContact O-CB 3.16Å; L161-C166 PolarHBondContact O-N 2.88Å; L161-C166 PolarHBondContact O-SG 3.26Å; L161-C166 VanDerWaalsContact O-SG 3.39Å; C166-A168 VanDerWaalsContact C-N 3.3Å; C166-A168 PolarHBondContact O-N 3.36Å
167Q92.1Very high89.8Confident111 Ų11142.2 Ų42.252%0.51921%0.214SC..EExtended strand (participates in β ladder)trans-79.678.8170.2-65.5-170.139.700109.9V133 Y169V133-Q167 PolarHBondContact N-O 3.05Å; Q167-Y169 HydrophobicContact CB-CE2 4.33Å
168A93.5Very high90.1Very high3 Ų342.2 Ų42.23%0.02521%0.214CC..EExtended strand (participates in β ladder)trans-101134.4-172.500000113.3V133 L135 L158 L161 R162 C166V133-A168 HydrophobicContact CB-CB 4.29Å; V133-A168 CarbonylContact O-C 3.6Å; V133-A168 VanDerWaalsContact O-CA 3.28Å; V133-A168 WeakPolarHBondContact O-CA 3.5Å; L135-A168 HydrophobicContact CD1-CB 4.15Å; L158-A168 HydrophobicContact CD1-CB 3.73Å; L161-A168 HydrophobicContact CB-CB 3.71Å; L161-A168 HydrophobicContact CD1-CB 4.16Å; R162-A168 HydrophobicContact CG-CB 4.11Å; C166-A168 VanDerWaalsContact C-N 3.3Å; C166-A168 PolarHBondContact O-N 3.36Å
169Y94.4Very high90.2Very high63 Ų6345.3 Ų45.325%0.24723%0.228CC..EExtended strand (participates in β ladder)trans-132.9160.2178.3-59.8-95.6000109.7P53 K55 T132 V133 L134 L135 Q167P53-Y169 HydrophobicContact CB-CD1 3.72Å; P53-Y169 HydrophobicContact CB-CE1 3.87Å; P53-Y169 HydrophobicContact CG-CD1 4.42Å; P53-Y169 WeakPolarHBondContact O-CA 3.47Å; K55-Y169 HydrophobicContact CD-CD1 4.35Å; K55-Y169 HydrophobicContact CG-CD1 4.11Å; K55-Y169 HydrophobicContact CG-CG 4.03Å; T132-Y169 HydrophobicContact CG2-CD2 3.75Å; T132-Y169 HydrophobicContact CG2-CE2 3.95Å; V133-Y169 PolarHBondContact O-N 3.34Å; L134-Y169 WeakPolarHBondContact CA-O 3.19Å; L135-Y169 VanDerWaalsContact CD1-O 3.31Å; L135-Y169 WeakPolarHBondContact CD1-O 3.4Å; L135-Y169 PolarHBondContact N-O 3.05Å; Q167-Y169 HydrophobicContact CB-CE2 4.33Å
170Y93.8Very high90.2Very high8 Ų847.2 Ų47.23%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-108.5152.3166.680.4-86.3000112.4M52 P53 C54 K55 L135 T140 W143 L154 L158M52-Y170 HydrophobicContact CB-CD1 4.37Å; M52-Y170 HydrophobicContact CB-CE1 4.13Å; P53-Y170 WeakPolarHBondContact O-CD1 3.39Å; P53-Y170 PolarHBondContact O-N 3.14Å; C54-Y170 CarbonylContact C-O 3.52Å; C54-Y170 VanDerWaalsContact CA-O 3.29Å; C54-Y170 WeakPolarHBondContact CA-O 3.46Å; C54-Y170 HydrophobicContact CB-CD1 3.84Å; C54-Y170 HydrophobicContact CB-CD2 4.41Å; C54-Y170 HydrophobicContact CB-CE1 3.34Å; C54-Y170 HydrophobicContact CB-CE2 3.95Å; C54-Y170 HydrophobicContact CB-CG 4.35Å; K55-Y170 PolarHBondContact N-O 3.21Å; L135-Y170 CarbonylContact O-C 3.56Å; L135-Y170 WeakPolarHBondContact O-CA 3.26Å; T140-Y170 HydrophobicContact CG2-CD2 4.38Å; T140-Y170 HydrophobicContact CG2-CE2 4.12Å; W143-Y170 HydrophobicContact CB-CE1 4.21Å; W143-Y170 HydrophobicContact CE3-CE1 4.46Å; W143-Y170 PolarHBondContact N-OH 3.01Å; L154-Y170 HydrophobicContact CD2-CD2 4.48Å; L158-Y170 HydrophobicContact CD2-CD1 4.1Å
171L94.3Very high90.4Very high0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-81.8119.7175.8-177.159.7000110.6L60 I88 L134 L135 Y136 G173 G174 F178L60-L171 HydrophobicContact CB-CD1 4.21Å; L60-L171 HydrophobicContact CD2-CD1 3.97Å; L60-L171 HydrophobicContact CD2-CD2 3.84Å; I88-L171 HydrophobicContact CD1-CD2 3.91Å; L134-L171 HydrophobicContact CD1-CB 4.49Å; L134-L171 HydrophobicContact CD2-CB 4.39Å; L134-L171 HydrophobicContact CD2-CD1 4.38Å; L134-L171 HydrophobicContact CG-CB 4.45Å; L135-L171 PolarHBondContact O-N 3.01Å; Y136-L171 HydrophobicContact CG-CD2 4.3Å; L171-G173 PolarHBondContact O-N 2.77Å; L171-G174 PolarHBondContact O-N 2.79Å; L171-F178 HydrophobicContact CD2-CB 3.95Å; L171-F178 HydrophobicContact CD2-CD2 4.44Å; L171-F178 HydrophobicContact CD2-CG 4.29Å
172Q92Very high90.6Very high62 Ų6250.5 Ų50.529%0.2926%0.261SS..THydrogen-bonded Turntrans-71122179.9-159.7-175.17.900111.1K55 A141K55-Q172 WeakPolarHBondContact O-CB 3.47Å; K55-Q172 PolarHBondContact O-N 3.34Å; A141-Q172 WeakPolarHBondContact O-CG 3.28Å; A141-Q172 PolarHBondContact O-NE2 2.95Å; A141-Q172 VanDerWaalsContact O-NE2 3.11Å
173G85.9Confident90.6Very high9 Ų948.5 Ų48.59%0.09327%0.265CS..THydrogen-bonded Turntrans89.12.4-176.800000113.7A139 T140 L171 K177A139-G173 WeakPolarHBondContact CA-O 3.45Å; T140-G173 WeakPolarHBondContact O-CA 3.41Å; T140-G173 PolarHBondContact O-N 3.32Å; L171-G173 PolarHBondContact O-N 2.77Å; G173-K177 VanDerWaalsContact O-CB 3.29Å; G173-K177 WeakPolarHBondContact O-CB 3.34Å; G173-K177 PolarHBondContact O-N 3.48Å
174G92.4Very high90.6Very high0 Ų049 Ų490%026%0.264CS..Hα-helixtrans60-160.6177.500000113.9D137 L171 F178D137-G174 CarbonylContact O-C 3.56Å; D137-G174 WeakPolarHBondContact O-CA 3.19Å; L171-G174 PolarHBondContact O-N 2.79Å; G174-F178 PolarHBondContact O-N 3.12Å
175F94.2Very high90.8Very high2 Ų247 Ų471%0.00925%0.252CS..Hα-helixtrans-63.4-41178.5-175.1-105.1000112.4R78 S86 I88 Y136 D137 E138 K177 F178 Q179 C186R78-F175 VanDerWaalsContact CZ-CD1 3.5Å; R78-F175 VanDerWaalsContact CZ-CG 3.41Å; S86-F175 WeakPolarHBondContact O-CZ 3.48Å; S86-F175 VanDerWaalsContact OG-CZ 3.32Å; S86-F175 WeakPolarHBondContact OG-CZ 3.17Å; I88-F175 HydrophobicContact CD1-CD2 4.42Å; I88-F175 HydrophobicContact CG1-CD2 3.85Å; I88-F175 HydrophobicContact CG1-CE2 3.84Å; Y136-F175 HydrophobicContact CD2-CB 3.87Å; Y136-F175 HydrophobicContact CD2-CD2 4.31Å; Y136-F175 HydrophobicContact CE2-CB 3.99Å; Y136-F175 AromaticContact CE2-CD2 3.7Å; Y136-F175 HydrophobicContact CE2-CD2 3.7Å; Y136-F175 HydrophobicContact CE2-CG 4.21Å; D137-F175 PolarHBondContact O-N 3.48Å; E138-F175 PolarHBondContact O-N 3.27Å; F175-K177 PolarHBondContact O-N 3.27Å; F175-F178 PolarHBondContact O-N 3.47Å; F175-Q179 HydrophobicContact CD1-CB 4.3Å; F175-Q179 HydrophobicContact CE1-CB 3.93Å; F175-Q179 HydrophobicContact CE1-CG 4.15Å; F175-Q179 VanDerWaalsContact CE1-OE1 3.26Å; F175-Q179 HydrophobicContact CZ-CB 4.04Å; F175-Q179 HydrophobicContact CZ-CG 4.2Å; F175-Q179 WeakPolarHBondContact O-CB 3.5Å; F175-Q179 PolarHBondContact O-N 2.72Å; F175-C186 HydrophobicContact CZ-CB 4.49Å
176N90.1Very high91Very high60 Ų6045 Ų4532%0.32123%0.23SC..Hα-helixtrans-62.3-42-173.9-74.4-14.6000112.9E138 T180E138-N176 WeakPolarHBondContact O-CB 3.36Å; E138-N176 PolarHBondContact O-N 2.81Å; E138-N176 PolarHBondContact O-ND2 3.14Å; E138-N176 PolarHBondContact OE1-ND2 2.74Å; E138-N176 PolarHBondContact OE1-OD1 3.34Å; E138-N176 VanDerWaalsContact OE1-OD1 3.11Å; N176-T180 WeakPolarHBondContact O-CB 3.46Å; N176-T180 PolarHBondContact O-N 2.94Å; N176-T180 VanDerWaalsContact O-N 3.13Å; N176-T180 PolarHBondContact O-OG1 3.31Å
177K90.1Very high90.9Very high73 Ų7348.7 Ų48.732%0.31725%0.246SC..Hα-helixtrans-63.8-48.5175.2-173.9-179.4177.4-175.20110.7G173 F175 T180 E181G173-K177 VanDerWaalsContact O-CB 3.29Å; G173-K177 WeakPolarHBondContact O-CB 3.34Å; G173-K177 PolarHBondContact O-N 3.48Å; F175-K177 PolarHBondContact O-N 3.27Å; K177-T180 PolarHBondContact O-N 2.95Å; K177-E181 WeakPolarHBondContact CE-OE1 3.32Å; K177-E181 WeakPolarHBondContact CE-OE2 3.33Å; K177-E181 VanDerWaalsContact CG-OE1 3.3Å; K177-E181 WeakPolarHBondContact CG-OE1 3.45Å; K177-E181 WeakPolarHBondContact O-CG 3.47Å; K177-E181 PolarHBondContact O-N 3.41Å; K177-E181 VanDerWaalsContact O-N 3.08Å
178F93.1Very high90.4Very high0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-63.5-44.5-178-171.2-93.5000112.5A57 L60 Q61 L64 I88 L171 G174 F175 T180 E181 Y182 H185A57-F178 HydrophobicContact CB-CD2 3.9Å; L60-F178 HydrophobicContact CB-CD2 4.29Å; L60-F178 HydrophobicContact CB-CE2 3.79Å; L60-F178 HydrophobicContact CD2-CD2 3.72Å; L60-F178 HydrophobicContact CD2-CE1 4.43Å; L60-F178 HydrophobicContact CD2-CE2 3.53Å; L60-F178 HydrophobicContact CD2-CG 4.27Å; L60-F178 HydrophobicContact CD2-CZ 3.91Å; L60-F178 HydrophobicContact CG-CD2 4.18Å; L60-F178 HydrophobicContact CG-CE2 3.53Å; L60-F178 HydrophobicContact CG-CZ 3.92Å; Q61-F178 HydrophobicContact CB-CE2 4.33Å; L64-F178 HydrophobicContact CD1-CZ 3.83Å; I88-F178 HydrophobicContact CD1-CB 4.42Å; I88-F178 HydrophobicContact CD1-CD1 3.55Å; I88-F178 HydrophobicContact CD1-CE1 3.94Å; I88-F178 HydrophobicContact CD1-CG 3.94Å; I88-F178 HydrophobicContact CG1-CD1 3.74Å; I88-F178 HydrophobicContact CG1-CE1 3.99Å; I88-F178 HydrophobicContact CG2-CD1 4.5Å; I88-F178 HydrophobicContact CG2-CE1 3.89Å; I88-F178 HydrophobicContact CG2-CZ 4.43Å; L171-F178 HydrophobicContact CD2-CB 3.95Å; L171-F178 HydrophobicContact CD2-CD2 4.44Å; L171-F178 HydrophobicContact CD2-CG 4.29Å; G174-F178 PolarHBondContact O-N 3.12Å; F175-F178 PolarHBondContact O-N 3.47Å; F178-T180 VanDerWaalsContact C-N 3.3Å; F178-T180 PolarHBondContact O-N 3.06Å; F178-E181 PolarHBondContact O-N 2.84Å; F178-Y182 AromaticContact CD2-CD2 3.87Å; F178-Y182 HydrophobicContact CD2-CD2 3.87Å; F178-Y182 AromaticContact CE2-CD2 3.81Å; F178-Y182 HydrophobicContact CE2-CD2 3.81Å; F178-Y182 HydrophobicContact CE2-CG 4.24Å; F178-Y182 HydrophobicContact CZ-CD2 4.48Å; F178-Y182 HydrophobicContact CZ-CG 4.5Å; F178-Y182 CarbonylContact O-C 3.54Å; F178-Y182 WeakPolarHBondContact O-CA 3.48Å; F178-Y182 WeakPolarHBondContact O-CB 3.44Å; F178-Y182 PolarHBondContact O-N 3.2Å; F178-H185 HydrophobicContact CE1-CB 3.88Å; F178-H185 HydrophobicContact CZ-CB 3.99Å
179Q91.8Very high88.8Confident65 Ų6552.8 Ų52.830%0.30427%0.274SS..Hα-helixtrans-63.2-36.4177.4-174.3-177.430.600112.2S86 F175 S183S86-Q179 PolarHBondContact OG-NE2 3.29Å; F175-Q179 HydrophobicContact CD1-CB 4.3Å; F175-Q179 HydrophobicContact CE1-CB 3.93Å; F175-Q179 HydrophobicContact CE1-CG 4.15Å; F175-Q179 VanDerWaalsContact CE1-OE1 3.26Å; F175-Q179 HydrophobicContact CZ-CB 4.04Å; F175-Q179 HydrophobicContact CZ-CG 4.2Å; F175-Q179 WeakPolarHBondContact O-CB 3.5Å; F175-Q179 PolarHBondContact O-N 2.72Å; Q179-S183 WeakPolarHBondContact O-CA 3.31Å; Q179-S183 WeakPolarHBondContact O-CB 3.47Å; Q179-S183 PolarHBondContact O-N 3.08Å
180T86.4Confident86.7Confident121 Ų12155.4 Ų55.474%0.74230%0.296SS*.Hα-helixtrans-69.3-38.4179-58.50000111.7N176 K177 F178N176-T180 WeakPolarHBondContact O-CB 3.46Å; N176-T180 PolarHBondContact O-N 2.94Å; N176-T180 VanDerWaalsContact O-N 3.13Å; N176-T180 PolarHBondContact O-OG1 3.31Å; K177-T180 PolarHBondContact O-N 2.95Å; F178-T180 VanDerWaalsContact C-N 3.3Å; F178-T180 PolarHBondContact O-N 3.06Å
181E90.8Very high84Confident85 Ų8562 Ų6240%0.39733%0.332SS..Hα-helixtrans-88.1-31.5-176-68.2172.2-165.800112.7A57 K177 F178A57-E181 WeakPolarHBondContact CB-OE2 3.3Å; K177-E181 WeakPolarHBondContact CE-OE1 3.32Å; K177-E181 WeakPolarHBondContact CE-OE2 3.33Å; K177-E181 VanDerWaalsContact CG-OE1 3.3Å; K177-E181 WeakPolarHBondContact CG-OE1 3.45Å; K177-E181 WeakPolarHBondContact O-CG 3.47Å; K177-E181 PolarHBondContact O-N 3.41Å; K177-E181 VanDerWaalsContact O-N 3.08Å; F178-E181 PolarHBondContact O-N 2.84Å
182Y91.6Very high81.3Confident38 Ų3867.3 Ų67.315%0.14937%0.369CS..  trans-142.354.7-167.4-54.7-67.6000112.3A57 E58 Q61 F178 E184 H185A57-Y182 HydrophobicContact CB-CD2 4.11Å; A57-Y182 HydrophobicContact CB-CE2 3.78Å; E58-Y182 WeakPolarHBondContact CA-OH 3.41Å; E58-Y182 WeakPolarHBondContact CG-OH 3.22Å; Q61-Y182 HydrophobicContact CB-CD1 3.79Å; Q61-Y182 HydrophobicContact CB-CD2 4.12Å; Q61-Y182 HydrophobicContact CB-CE1 3.85Å; Q61-Y182 HydrophobicContact CB-CE2 4.21Å; Q61-Y182 HydrophobicContact CB-CG 3.91Å; Q61-Y182 HydrophobicContact CG-CD1 3.53Å; Q61-Y182 HydrophobicContact CG-CE1 3.67Å; Q61-Y182 HydrophobicContact CG-CG 4.09Å; F178-Y182 AromaticContact CD2-CD2 3.87Å; F178-Y182 HydrophobicContact CD2-CD2 3.87Å; F178-Y182 AromaticContact CE2-CD2 3.81Å; F178-Y182 HydrophobicContact CE2-CD2 3.81Å; F178-Y182 HydrophobicContact CE2-CG 4.24Å; F178-Y182 HydrophobicContact CZ-CD2 4.48Å; F178-Y182 HydrophobicContact CZ-CG 4.5Å; F178-Y182 CarbonylContact O-C 3.54Å; F178-Y182 WeakPolarHBondContact O-CA 3.48Å; F178-Y182 WeakPolarHBondContact O-CB 3.44Å; F178-Y182 PolarHBondContact O-N 3.2Å; Y182-E184 VanDerWaalsContact C-OE2 3.31Å; Y182-E184 PolarHBondContact O-N 3.31Å; Y182-H185 PolarHBondContact O-N 2.77Å
183S88Confident78.5Confident78 Ų7870.2 Ų70.255%0.54540%0.396SS..G310 helixtrans-60.6-26.4-176.165.10000114.4Q179 H185 C186Q179-S183 WeakPolarHBondContact O-CA 3.31Å; Q179-S183 WeakPolarHBondContact O-CB 3.47Å; Q179-S183 PolarHBondContact O-N 3.08Å; S183-H185 PolarHBondContact O-N 2.93Å; S183-C186 WeakPolarHBondContact O-CB 3.44Å; S183-C186 PolarHBondContact O-N 3.35Å; S183-C186 VanDerWaalsContact O-N 3.1Å
184E87.7Confident76Confident117 Ų11775 Ų7555%0.54743%0.428SS..G310 helixtrans-65.9-21.3-18064.7-76.2175.200113.6Y182 C186Y182-E184 VanDerWaalsContact C-OE2 3.31Å; Y182-E184 PolarHBondContact O-N 3.31Å; E184-C186 VanDerWaalsContact C-N 3.35Å
185H89Confident73.1Confident24 Ų2480.2 Ų80.211%0.11146%0.464CS..G310 helixtrans-95.39.9176.4-67.6-62.9000112.9L64 E89 F178 Y182 S183L64-H185 HydrophobicContact CD1-CB 3.92Å; E89-H185 PolarHBondContact N-O 3.01Å; F178-H185 HydrophobicContact CE1-CB 3.88Å; F178-H185 HydrophobicContact CZ-CB 3.99Å; Y182-H185 PolarHBondContact O-N 2.77Å; S183-H185 PolarHBondContact O-N 2.93Å
186C90.8Very high70.6Confident15 Ų1586.2 Ų86.210%0.10150%0.504CS..EExtended strand (participates in β ladder)trans-108.2126.4178.1-60.70000111H87 F175 S183 E184 T188H87-C186 CarbonylContact O-C 3.57Å; H87-C186 WeakPolarHBondContact O-CA 3.34Å; F175-C186 HydrophobicContact CZ-CB 4.49Å; S183-C186 WeakPolarHBondContact O-CB 3.44Å; S183-C186 PolarHBondContact O-N 3.35Å; S183-C186 VanDerWaalsContact O-N 3.1Å; E184-C186 VanDerWaalsContact C-N 3.35Å; C186-T188 PolarHBondContact O-N 2.82Å
187E87.2Confident67.7Low88 Ų8888.8 Ų88.841%0.41153%0.527SS..EExtended strand (participates in β ladder)trans-74.4119.6168-70.3179.9-140.300108.6S86 H87 E89 T90S86-E187 CarbonylContact C-O 3.55Å; S86-E187 VanDerWaalsContact CA-O 3.23Å; S86-E187 WeakPolarHBondContact CA-O 3.49Å; H87-E187 IonicContact CE1-OE2 3.4Å; H87-E187 PolarHBondContact N-O 2.99Å; H87-E187 IonicContact NE2-OE2 3.6Å; H87-E187 PolarHBondContact O-N 2.85Å; E89-E187 WeakPolarHBondContact CA-OE1 3.39Å; E89-E187 HydrophobicContact CB-CG 4.36Å; E89-E187 HydrophobicContact CG-CG 4.09Å; E89-E187 VanDerWaalsContact CG-OE1 3.24Å; E89-E187 WeakPolarHBondContact CG-OE1 3.28Å; T90-E187 PolarHBondContact N-OE1 3.04Å
188T81.7Confident65.1Low77 Ų7790.9 Ų90.947%0.47255%0.55SS.*EExtended strand (participates in β ladder)trans-115.5130.6173.150.70000108.5S86 C186 V190S86-T188 WeakPolarHBondContact OG-CG2 3.45Å; C186-T188 PolarHBondContact O-N 2.82Å; T188-V190 VanDerWaalsContact C-N 3.3Å; T188-V190 PolarHBondContact O-N 3.26Å
189N60.3Low62.1Low124 Ų12496.1 Ų96.166%0.66359%0.587SS**  trans-82.179.2-175.1-151.94.5000110.1
190V49.1Very low59.2Low117 Ų11798.5 Ų98.571%0.70961%0.608SS**  trans-116.690.3174-114.70000108.5T188 S192T188-V190 VanDerWaalsContact C-N 3.3Å; T188-V190 PolarHBondContact O-N 3.26Å; V190-S192 PolarHBondContact O-N 3.41Å
191D37.8Very low56.7Low147 Ų14798.9 Ų98.979%0.78661%0.612SS**  trans-72.5102.8174.4-91.8-28.2000111.1
192S36.4Very low53.8Low112 Ų112101.1 Ų101.178%0.78363%0.632SS**  trans41.684134-55.90000118.6V190V190-S192 PolarHBondContact O-N 3.41Å
193S33.3Very low51Low122 Ų122104.6 Ų104.685%0.85366%0.662SS**  trans-149.5134.1134.9620000111.2
194S33.8Very low48.3Very low111 Ų111107.6 Ų107.678%0.77668%0.677SS**  trans-69.4129-168.647.90000115.3
195S31.1Very low45.7Very low108 Ų108110 Ų11076%0.75569%0.692SS**  145.5149.7122.5-63.70000113
196P42.5Very low42.9Very low129 Ų129112 Ų11284%0.83872%0.72SS**  trans-94.7136.9-155.835.8-30.1000112.6
197S28.6Very low40.4Very low114 Ų114119.5 Ų119.580%0.79776%0.758SS**  trans-133.1111.6158.3710000110S199S197-S199 PolarHBondContact O-N 2.92Å
198S35.3Very low37.9Very low117 Ų117119.3 Ų119.382%0.81878%0.78SS**  trans-55.4119.8172.548.90000112.5
199S30.3Very low35.9Very low110 Ų110118.7 Ų118.777%0.76979%0.789SS**  trans-161.4136.4152.7-65.60000109S197S197-S199 PolarHBondContact O-N 2.92Å
200P32.5Very low34.5Very low115 Ų115120.2 Ų120.275%0.74780%0.796SS**PPolyproline II helixtrans-79.8153.1-173.533.2-33.5000111.9
201P33Very low33.9Very low128 Ų128126.3 Ų126.383%0.83181%0.806SS**PPolyproline II helixtrans-78.7124.1175.230.3-29.6000110.4
202T29.8Very low33.7Very low132 Ų132126.4 Ų126.481%0.8181%0.806SS**PPolyproline II helixtrans-76.8126.9169.642.10000110.8
203S33.3Very low33.3Very low112 Ų112126 Ų12678%0.78380%0.803SS**PPolyproline II helixtrans-58.9137.6172-40.90000112.3
204V30.7Very low33.3Very low141 Ų141125.2 Ų125.286%0.85580%0.797SS**  trans-125.4112.4156.1-178.90000109
205L32.8Very low33.1Very low166 Ų166127.4 Ų127.487%0.86980%0.8SS**  trans-69.6143.3170.3-71.8155.5000110.8
206G30.1Very low33Very low67 Ų67127.5 Ų127.569%0.69180%0.8SS**  trans100.996.6133.300000117.8
207L38.3Very low32.6Very low172 Ų172127.3 Ų127.390%0.90180%0.802SS**  trans-155.263.6138.1-109.6133.5000109.5
208G34.4Very low32.9Very low85 Ų85129.7 Ų129.788%0.87681%0.805SS**  trans-80.2119.5157.500000108.7
209G40.3Very low33.1Very low64 Ų64127.5 Ų127.566%0.6680%0.801SS**  trans135.169.9165.200000115.4
210L31.9Very low33.2Very low156 Ų156131.3 Ų131.382%0.81781%0.806SS**  trans-136.6103.2149.4-81174.6000109.2
211R35.6Very low33.3Very low244 Ų244130.2 Ų130.292%0.92180%0.802SS**  trans-88.4122.5159.5-61.5-175.5-178.8178.3-0.1105.9
212I33.1Very low33.3Very low150 Ų150131.6 Ų131.677%0.76980%0.802SS**  trans-115.3114.2165.9-62.2-179.1000107.6
213S29.1Very low33.8Very low103 Ų103136.7 Ų136.772%0.7281%0.807SS**  trans-54.3133.7176-39.10000111.1
214S34Very low33.8Very low106 Ų106139.2 Ų139.274%0.74181%0.806SS**  trans-78.1115.8162-66.30000108.3
215D27.8Very low34.2Very low156 Ų156139.9 Ų139.983%0.83480%0.804SS**  trans-129.297.8154.1-85.8-34.7000107.3
216C30.3Very low34.8Very low111 Ų111137.2 Ų137.275%0.7580%0.796SS**  trans-90.9108.3169.3-44.70000106.3
217S33.3Very low34.9Very low125 Ų125140 Ų14087%0.87481%0.805SS**  trans-95.3103.4160.5-74.10000108.2
218D35.8Very low34.9Very low164 Ų164137 Ų13788%0.87780%0.799SS**  trans-69.7131.7165.5-78.5-39.6000109.7
219G38.6Very low35.2Very low70 Ų70137.5 Ų137.572%0.72280%0.795SS**  trans-170.696.1165.300000109.5
220E33.5Very low35Very low190 Ų190141.1 Ų141.189%0.88880%0.804SS**  trans-162.1107.3143.2-87.5-121.598.800111.1
221S34Very low35.7Very low93 Ų93143.1 Ų143.165%0.6581%0.809SS**  trans41.2113.314979.60000121.5
222D33Very low35.6Very low156 Ų156137.1 Ų137.183%0.83481%0.805SS**  trans-48.1128.7143.5-74.9-44.3000112.4
223R39.8Very low36Very low240 Ų240137.6 Ų137.691%0.90681%0.809SS**  trans-137.7107.4144.1-77.7-164.1172.2123.70.1109.3
224E34.2Very low36.6Very low165 Ų165135.6 Ų135.677%0.77181%0.805SS**  trans-73.1164173.8-64-161.5118.500113.7
225L37.9Very low36.7Very low155 Ų155136 Ų13681%0.81281%0.807SS**  trans110.3150.3147.7-63.2159.1000116.8
226P45.4Very low37.5Very low109 Ų109134.5 Ų134.571%0.70881%0.806SS**  -132.3160.8-5132.4-15.5000112.5
227S33.8Very low37.7Very low125 Ų125135.6 Ų135.687%0.87481%0.809SS**  trans-68.4125.3169.3-171.30000110.8
228S36.9Very low38Very low111 Ų111134.9 Ų134.978%0.77680%0.801SS**  trans-137.1120.7159.259.10000109.3
229A40.8Very low38.1Very low95 Ų95132.1 Ų132.179%0.78580%0.795SS**  trans-80.5124.5176.500000109.6
230T37.4Very low38.1Very low139 Ų139134.2 Ų134.285%0.85380%0.798SS**  trans-148.5133149.942.70000108.5
231E44.7Very low38.8Very low198 Ų198132.5 Ų132.593%0.92579%0.79SS**  trans-72.1137.3174-54.2-162.4127.200110.3
232S35.4Very low39.8Very low118 Ų118131.7 Ų131.783%0.82578%0.783SS**  trans-173.6121.9141.4-155.30000112.5
233D40.7Very low41.3Very low161 Ų161127.4 Ų127.486%0.86177%0.769SS**  trans30.5126.1143.3-143.49.5000123.1
234G41.9Very low43.2Very low61 Ų61119.3 Ų119.363%0.62974%0.741SS**  trans69.790.2134.300000120.8
235S36.5Very low45.9Very low113 Ų113111.6 Ų111.679%0.7971%0.705SS**  trans-174147.3135.3-84.90000112.9V237S235-V237 PolarHBondContact O-N 3.45Å
236P44.3Very low48.7Very low125 Ų125104.8 Ų104.881%0.81267%0.67SS**PPolyproline II helixtrans-76.8119.3-173.830.5-31.5000110.9
237V33.2Very low51.2Low135 Ų135103.9 Ų103.982%0.81866%0.656SS**PPolyproline II helixtrans-66.6123.8168.2-167.10000107.7S235 S239S235-V237 PolarHBondContact O-N 3.45Å; V237-S239 PolarHBondContact O-N 3.27Å; V237-S239 VanDerWaalsContact O-N 3.15Å
238P40.3Very low54.2Low109 Ų10997.9 Ų97.971%0.70861%0.614SS**PPolyproline II helixtrans-68.1119175.922.8-23000108S240P238-S240 VanDerWaalsContact C-N 3.26Å; P238-S240 PolarHBondContact O-N 3.45Å
239S37.3Very low57.1Low107 Ų10793.6 Ų93.675%0.74858%0.583SS**  trans-60.291.1165.556.40000108.2V237 Q241V237-S239 PolarHBondContact O-N 3.27Å; V237-S239 VanDerWaalsContact O-N 3.15Å; S239-Q241 PolarHBondContact O-N 2.91Å
240S40.3Very low59.9Low113 Ų11392.9 Ų92.979%0.7957%0.57SS**  trans-76.662.1175.468.10000109.7P238P238-S240 VanDerWaalsContact C-N 3.26Å; P238-S240 PolarHBondContact O-N 3.45Å
241Q46.6Very low62.8Low155 Ų15590.6 Ų90.672%0.72455%0.546SS*.PPolyproline II helixtrans-65.2123.5155.8-69.5-73.4-36.100105.6S239 A243S239-Q241 PolarHBondContact O-N 2.91Å; Q241-A243 PolarHBondContact O-N 3.14Å
242P55.1Low65.4Low75 Ų7581.2 Ų81.249%0.48750%0.502SS..PPolyproline II helixtrans-56.6133.6175.421.5-29.7000108.8F244P242-F244 HydrophobicContact CG-CE2 4.35Å; P242-F244 HydrophobicContact CG-CZ 4.44Å; P242-F244 VanDerWaalsContact O-CD2 3.25Å; P242-F244 WeakPolarHBondContact O-CD2 2.7Å; P242-F244 PolarHBondContact O-N 3.39Å
243A64.6Low68.4Low67 Ų6776.4 Ų76.455%0.55447%0.466SS*.PPolyproline II helixtrans-60.3123.6176.900000109Q241Q241-A243 PolarHBondContact O-N 3.14Å
244F79.4Confident71.1Confident70 Ų7068.7 Ų68.731%0.30743%0.425SS..SBendtrans-91.2145.9173.6-74.3-81.3000110.2P242 V246 D259 K365P242-F244 HydrophobicContact CG-CE2 4.35Å; P242-F244 HydrophobicContact CG-CZ 4.44Å; P242-F244 VanDerWaalsContact O-CD2 3.25Å; P242-F244 WeakPolarHBondContact O-CD2 2.7Å; P242-F244 PolarHBondContact O-N 3.39Å; F244-V246 HydrophobicContact CD1-CG2 3.9Å; F244-V246 HydrophobicContact CE1-CG2 3.71Å; F244-D259 WeakPolarHBondContact CB-OD1 3.48Å; F244-K365 HydrophobicContact CE1-CD 4.49Å
245P91.3Very high73.7Confident3 Ų365.9 Ų65.92%0.01940%0.396CS..SBendcis-74.6154.9-2.233-38000112.8Y253 D259 V265 Y269 I271 L328P245-Y253 HydrophobicContact CG-CD1 4.22Å; P245-Y253 HydrophobicContact CG-CG 4.44Å; P245-D259 HydrophobicContact CB-CB 4.29Å; P245-V265 HydrophobicContact CG-CG1 4.2Å; P245-Y269 HydrophobicContact CG-CD2 4.4Å; P245-I271 HydrophobicContact CG-CD1 4.09Å; P245-L328 HydrophobicContact CB-CD1 3.72Å; P245-L328 HydrophobicContact CG-CD1 4.21Å
246V96.1Very high76.5Confident12 Ų1261.7 Ų61.77%0.07337%0.366CS..EExtended strand (participates in β ladder)trans-79.9126.6-177.9179.30000109.9F244 I248 Y253 L254 K364 K365F244-V246 HydrophobicContact CD1-CG2 3.9Å; F244-V246 HydrophobicContact CE1-CG2 3.71Å; V246-I248 HydrophobicContact CG1-CD1 4.09Å; V246-I248 PolarHBondContact O-N 3.41Å; V246-Y253 WeakPolarHBondContact O-CA 3.5Å; V246-L254 PolarHBondContact N-O 2.82Å; V246-L254 PolarHBondContact O-N 3.16Å; V246-K364 HydrophobicContact CG1-CB 3.95Å; V246-K365 HydrophobicContact CG2-CB 4.4Å; V246-K365 HydrophobicContact CG2-CD 4.26Å
247Q97.9Very high78.8Confident89 Ų8956.7 Ų56.742%0.41634%0.335SS..EExtended strand (participates in β ladder)trans-78.3110.1175.8-170.3178.817.500111.7L249 Y253 K364Q247-L249 VanDerWaalsContact CG-O 3.26Å; Q247-L249 WeakPolarHBondContact CG-O 3.5Å; Q247-L249 PolarHBondContact NE2-O 3.44Å; Q247-Y253 HydrophobicContact CB-CD1 3.89Å; Q247-Y253 HydrophobicContact CB-CE1 3.7Å; Q247-Y253 HydrophobicContact CG-CD1 4.15Å; Q247-Y253 HydrophobicContact CG-CE1 3.72Å; Q247-K364 WeakPolarHBondContact O-CD 3.22Å; Q247-K364 PolarHBondContact O-NZ 3.2Å
248I98.2Very high81.6Confident0 Ų058.3 Ų58.30%033%0.331CS..EExtended strand (participates in β ladder)trans-83.8-45.6179.9-57.3-58.6000110.8V246 L252 L254 T342 L346 F360 V361 K364V246-I248 HydrophobicContact CG1-CD1 4.09Å; V246-I248 PolarHBondContact O-N 3.41Å; I248-L252 HydrophobicContact CB-CD2 4.32Å; I248-L252 HydrophobicContact CB-CG 4.24Å; I248-L252 HydrophobicContact CG2-CD2 4.3Å; I248-L252 PolarHBondContact N-O 2.98Å; I248-L254 HydrophobicContact CD1-CB 4.08Å; I248-L254 HydrophobicContact CD1-CD2 4.14Å; I248-L254 HydrophobicContact CG1-CB 3.66Å; I248-L254 HydrophobicContact CG1-CD2 4.43Å; I248-T342 HydrophobicContact CB-CG2 4.36Å; I248-T342 HydrophobicContact CG1-CG2 4.05Å; I248-T342 HydrophobicContact CG2-CG2 3.87Å; I248-L346 HydrophobicContact CG2-CD1 4.06Å; I248-L346 HydrophobicContact CG2-CD2 4.3Å; I248-F360 HydrophobicContact CG2-CD1 4.26Å; I248-F360 HydrophobicContact CG2-CE1 3.85Å; I248-F360 VanDerWaalsContact O-CE1 3.32Å; I248-F360 WeakPolarHBondContact O-CE1 3.28Å; I248-V361 HydrophobicContact CD1-CG1 4.06Å; I248-V361 HydrophobicContact CG2-CG2 4.45Å; I248-K364 HydrophobicContact CD1-CB 4.27Å; I248-K364 HydrophobicContact CD1-CD 4.24Å; I248-K364 PolarHBondContact O-NZ 2.9Å
249L98.1Very high84.1Confident21 Ų2153.8 Ų53.811%0.1130%0.301CS..EExtended strand (participates in β ladder)trans-138.5169171.8-68.7175.2000109.2Q247 Y251 L252 Y345 L346 M350 F360Q247-L249 VanDerWaalsContact CG-O 3.26Å; Q247-L249 WeakPolarHBondContact CG-O 3.5Å; Q247-L249 PolarHBondContact NE2-O 3.44Å; L249-Y251 PolarHBondContact O-N 3.3Å; L249-Y251 VanDerWaalsContact O-N 3.1Å; L249-L252 HydrophobicContact CB-CB 4.09Å; L249-L252 HydrophobicContact CD1-CD2 4.37Å; L249-L252 PolarHBondContact N-O 3.46Å; L249-L252 PolarHBondContact O-N 2.81Å; L249-Y345 HydrophobicContact CD1-CE1 4.26Å; L249-L346 HydrophobicContact CD1-CD2 3.57Å; L249-L346 HydrophobicContact CG-CD2 4.05Å; L249-M350 HydrophobicContact CD1-SD 3.83Å; L249-M350 HydrophobicContact CD2-SD 4.04Å; L249-F360 HydrophobicContact CD2-CE1 4.22Å; L249-F360 HydrophobicContact CD2-CZ 3.86Å
250P98.2Very high86.9Confident79 Ų7949 Ų4951%0.51327%0.268SS..THydrogen-bonded Turntrans-48.3124163.9-28.136.5000110.3L252 R321P250-L252 VanDerWaalsContact C-N 3.25Å; P250-L252 PolarHBondContact O-N 3.32Å; P250-R321 PolarHBondContact O-NE 3.11Å; P250-R321 PolarHBondContact O-NH2 3.44Å
251Y98.5Very high89.5Confident92 Ų9247.3 Ų47.336%0.36125%0.253SS..THydrogen-bonded Turntrans66.97.3-178-44.5-73.2000116.8L249 K324 C325 G326 V327L249-Y251 PolarHBondContact O-N 3.3Å; L249-Y251 VanDerWaalsContact O-N 3.1Å; Y251-K324 WeakPolarHBondContact CD1-O 3.15Å; Y251-K324 HydrophobicContact CE1-CB 4.01Å; Y251-K324 WeakPolarHBondContact CE1-O 3.44Å; Y251-K324 HydrophobicContact CE2-CB 4.02Å; Y251-K324 HydrophobicContact CE2-CG 4.13Å; Y251-C325 WeakPolarHBondContact CB-O 3.49Å; Y251-G326 WeakPolarHBondContact O-CA 3.07Å; Y251-V327 WeakPolarHBondContact O-CG1 3.31Å; Y251-V327 PolarHBondContact O-N 3.13Å
252L98.8Very high91.8Very high0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans-119118.1175175.959.9000110.7I248 L249 P250 I317 V327 V329 T342 Y345I248-L252 HydrophobicContact CB-CD2 4.32Å; I248-L252 HydrophobicContact CB-CG 4.24Å; I248-L252 HydrophobicContact CG2-CD2 4.3Å; I248-L252 PolarHBondContact N-O 2.98Å; L249-L252 HydrophobicContact CB-CB 4.09Å; L249-L252 HydrophobicContact CD1-CD2 4.37Å; L249-L252 PolarHBondContact N-O 3.46Å; L249-L252 PolarHBondContact O-N 2.81Å; P250-L252 VanDerWaalsContact C-N 3.25Å; P250-L252 PolarHBondContact O-N 3.32Å; L252-I317 HydrophobicContact CD1-CG2 3.94Å; L252-I317 HydrophobicContact CD2-CG2 4.49Å; L252-V327 HydrophobicContact CD1-CG1 3.9Å; L252-V329 HydrophobicContact CD1-CG2 3.8Å; L252-T342 HydrophobicContact CD2-CG2 4.48Å; L252-Y345 HydrophobicContact CD2-CD1 3.65Å; L252-Y345 HydrophobicContact CD2-CE1 3.84Å
253Y98.8Very high93.7Very high17 Ų1743.4 Ų43.47%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-119.5140.1-177.7-60.2-92.5000110.6P245 V246 Q247 Y269 I271 V327 L328 V329P245-Y253 HydrophobicContact CG-CD1 4.22Å; P245-Y253 HydrophobicContact CG-CG 4.44Å; V246-Y253 WeakPolarHBondContact O-CA 3.5Å; Q247-Y253 HydrophobicContact CB-CD1 3.89Å; Q247-Y253 HydrophobicContact CB-CE1 3.7Å; Q247-Y253 HydrophobicContact CG-CD1 4.15Å; Q247-Y253 HydrophobicContact CG-CE1 3.72Å; Y253-Y269 AromaticContact CE1-CD1 3.82Å; Y253-Y269 HydrophobicContact CE1-CD1 3.82Å; Y253-Y269 AromaticContact CE1-CG 3.97Å; Y253-Y269 HydrophobicContact CE1-CG 3.97Å; Y253-I271 HydrophobicContact CD2-CD1 3.95Å; Y253-I271 HydrophobicContact CD2-CG1 3.82Å; Y253-I271 HydrophobicContact CE2-CD1 4.49Å; Y253-I271 HydrophobicContact CE2-CG1 4.12Å; Y253-I271 HydrophobicContact CG-CD1 3.99Å; Y253-I271 HydrophobicContact CG-CG1 4.38Å; Y253-V327 PolarHBondContact N-O 3.22Å; Y253-L328 WeakPolarHBondContact O-CA 3.42Å; Y253-V329 PolarHBondContact O-N 2.97Å
254L98.6Very high95.1Very high0 Ų046.8 Ų46.80%024%0.241CC..EExtended strand (participates in β ladder)trans-114.7127.3177.217265.2000109.5V246 I248 S338 V339 V361 K365V246-L254 PolarHBondContact N-O 2.82Å; V246-L254 PolarHBondContact O-N 3.16Å; I248-L254 HydrophobicContact CD1-CB 4.08Å; I248-L254 HydrophobicContact CD1-CD2 4.14Å; I248-L254 HydrophobicContact CG1-CB 3.66Å; I248-L254 HydrophobicContact CG1-CD2 4.43Å; L254-S338 WeakPolarHBondContact CD1-OG 3.21Å; L254-V339 HydrophobicContact CD1-CG2 4.29Å; L254-V339 HydrophobicContact CD2-CG2 3.88Å; L254-V361 HydrophobicContact CD2-CG1 3.84Å; L254-K365 HydrophobicContact CD2-CD 3.84Å; L254-K365 HydrophobicContact CG-CD 4.37Å
255G95.8Very high95.7Very high1 Ų144.7 Ų44.71%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-151.7-169.6-176.200000115.3D259 V329 H330 G334G255-D259 WeakPolarHBondContact CA-OD2 3.19Å; G255-V329 PolarHBondContact N-O 3.48Å; G255-V329 VanDerWaalsContact N-O 3.09Å; G255-H330 WeakPolarHBondContact O-CA 3.42Å; G255-G334 WeakPolarHBondContact O-CA 3.47Å
256C94.4Very high95.9Very high26 Ų2644.5 Ų44.518%0.17623%0.233CC..  trans-117.2179.5179.971.90000111.4K258 D259 S260 C331 L332C256-K258 PolarHBondContact O-N 3.35Å; C256-D259 PolarHBondContact N-OD2 2.9Å; C256-D259 WeakPolarHBondContact O-CB 3.34Å; C256-D259 PolarHBondContact O-N 3.42Å; C256-D259 PolarHBondContact SG-OD2 2.97Å; C256-S260 PolarHBondContact O-N 2.88Å; C256-C331 CarbonylContact C-O 3.31Å; C256-L332 WeakPolarHBondContact CB-O 3.38Å
257A93.2Very high95.9Very high19 Ų1946.6 Ų46.616%0.15726%0.257CS..Hα-helixtrans-60.4-28.3-179.500000114.1D259 S260 T261 L281 C331 L332A257-D259 VanDerWaalsContact C-N 3.32Å; A257-S260 PolarHBondContact O-OG 3.4Å; A257-T261 PolarHBondContact O-OG1 2.94Å; A257-L281 HydrophobicContact CB-CD1 3.56Å; A257-C331 PolarHBondContact N-O 3.42Å; A257-L332 HydrophobicContact CB-CD1 4.16Å; A257-L332 PolarHBondContact N-O 3.27Å
258K92.8Very high95.8Very high169 Ų16949.7 Ų49.774%0.73527%0.269SS*.Hα-helixtrans-70.3-32.6176.5-63.4-177.5179.81790111.7C256 T261 N262C256-K258 PolarHBondContact O-N 3.35Å; K258-T261 PolarHBondContact O-OG1 3Å; K258-N262 WeakPolarHBondContact O-CB 3.23Å
259D93.1Very high95.6Very high15 Ų1552.5 Ų52.58%0.0828%0.28CS..Hα-helixtrans-73.6-36.8179.8-52.8-43.7000110.7F244 P245 G255 C256 A257 T261 N262 L328F244-D259 WeakPolarHBondContact CB-OD1 3.48Å; P245-D259 HydrophobicContact CB-CB 4.29Å; G255-D259 WeakPolarHBondContact CA-OD2 3.19Å; C256-D259 PolarHBondContact N-OD2 2.9Å; C256-D259 WeakPolarHBondContact O-CB 3.34Å; C256-D259 PolarHBondContact O-N 3.42Å; C256-D259 PolarHBondContact SG-OD2 2.97Å; A257-D259 VanDerWaalsContact C-N 3.32Å; D259-T261 PolarHBondContact O-N 3.24Å; D259-N262 PolarHBondContact O-N 3.37Å; D259-L328 HydrophobicContact CB-CD2 4.25Å
260S95.3Very high95.6Very high6 Ų653.4 Ų53.44%0.04229%0.294CS..Hα-helixtrans-71.3-1618068.70000114.2C256 A257 F285 H330C256-S260 PolarHBondContact O-N 2.88Å; A257-S260 PolarHBondContact O-OG 3.4Å; S260-F285 WeakPolarHBondContact O-CE2 3.17Å; S260-H330 WeakPolarHBondContact CB-NE2 3.49Å; S260-H330 PolarHBondContact OG-CE1 3.09Å
261T94.9Very high95.6Very high77 Ų7749.8 Ų49.847%0.47227%0.27SS..THydrogen-bonded Turntrans-105.96179.750.50000113.1A257 K258 D259 A284 F285A257-T261 PolarHBondContact O-OG1 2.94Å; K258-T261 PolarHBondContact O-OG1 3Å; D259-T261 PolarHBondContact O-N 3.24Å; T261-A284 HydrophobicContact CG2-CB 3.99Å; T261-F285 WeakPolarHBondContact O-CZ 3.3Å
262N94.4Very high95.6Very high61 Ų6150 Ų5033%0.32627%0.273SS..  trans-106.196.1-177.1-172.3-33.3000111.5K258 D259 D264 V265 L266K258-N262 WeakPolarHBondContact O-CB 3.23Å; D259-N262 PolarHBondContact O-N 3.37Å; N262-D264 VanDerWaalsContact C-N 3.31Å; N262-D264 PolarHBondContact O-N 3.47Å; N262-D264 PolarHBondContact OD1-N 2.83Å; N262-V265 HydrophobicContact CB-CB 4.04Å; N262-V265 HydrophobicContact CB-CG2 4.21Å; N262-V265 VanDerWaalsContact CG-CG2 3.44Å; N262-V265 WeakPolarHBondContact ND2-CG2 3.49Å; N262-V265 PolarHBondContact O-N 2.68Å; N262-V265 WeakPolarHBondContact OD1-CG2 3.32Å; N262-V265 PolarHBondContact OD1-N 2.97Å; N262-L266 VanDerWaalsContact O-CG 3.25Å; N262-L266 WeakPolarHBondContact O-CG 3.24Å; N262-L266 PolarHBondContact O-N 3.18Å
263L94.9Very high95.6Very high87 Ų8750.8 Ų50.846%0.45528%0.276SS..Hα-helixtrans-59-37.5-179-72.7173.9000113.5V265 L266 G267 F285 F291L263-V265 VanDerWaalsContact C-N 3.32Å; L263-V265 PolarHBondContact O-N 3.09Å; L263-L266 PolarHBondContact O-N 3.45Å; L263-G267 PolarHBondContact O-N 3.04Å; L263-F285 HydrophobicContact CD1-CD1 4.41Å; L263-F285 HydrophobicContact CD1-CE1 3.86Å; L263-F285 HydrophobicContact CD1-CZ 4.15Å; L263-F285 HydrophobicContact CD2-CD1 3.86Å; L263-F285 HydrophobicContact CD2-CD2 3.7Å; L263-F285 HydrophobicContact CD2-CE1 3.75Å; L263-F285 HydrophobicContact CD2-CE2 3.59Å; L263-F285 HydrophobicContact CD2-CG 3.85Å; L263-F285 HydrophobicContact CD2-CZ 3.63Å; L263-F285 HydrophobicContact CG-CD1 4.29Å; L263-F285 HydrophobicContact CG-CD2 4.49Å; L263-F285 HydrophobicContact CG-CE1 3.7Å; L263-F285 HydrophobicContact CG-CE2 3.91Å; L263-F285 HydrophobicContact CG-CZ 3.49Å; L263-F285 VanDerWaalsContact CG-CZ 3.49Å; L263-F291 HydrophobicContact CD2-CE2 3.69Å; L263-F291 HydrophobicContact CD2-CZ 3.78Å
264D94.1Very high95.5Very high138 Ų13850 Ų5074%0.73827%0.273SS*.Hα-helixtrans-63.6-42.9-179.9-63.2-40.7000110.9N262 K268N262-D264 VanDerWaalsContact C-N 3.31Å; N262-D264 PolarHBondContact O-N 3.47Å; N262-D264 PolarHBondContact OD1-N 2.83Å; D264-K268 WeakPolarHBondContact O-CB 3.28Å; D264-K268 PolarHBondContact O-N 3.26Å
265V92.9Very high95.6Very high26 Ų2650 Ų5016%0.15827%0.273CS..Hα-helixtrans-68.6-45.8177.6170.10000110.9P245 N262 L263 G267 K268 Y269P245-V265 HydrophobicContact CG-CG1 4.2Å; N262-V265 HydrophobicContact CB-CB 4.04Å; N262-V265 HydrophobicContact CB-CG2 4.21Å; N262-V265 VanDerWaalsContact CG-CG2 3.44Å; N262-V265 WeakPolarHBondContact ND2-CG2 3.49Å; N262-V265 PolarHBondContact O-N 2.68Å; N262-V265 WeakPolarHBondContact OD1-CG2 3.32Å; N262-V265 PolarHBondContact OD1-N 2.97Å; L263-V265 VanDerWaalsContact C-N 3.32Å; L263-V265 PolarHBondContact O-N 3.09Å; V265-G267 PolarHBondContact O-N 3.48Å; V265-K268 PolarHBondContact O-N 3.14Å; V265-Y269 HydrophobicContact CG1-CD2 3.91Å; V265-Y269 HydrophobicContact CG1-CE2 4.02Å; V265-Y269 WeakPolarHBondContact O-CD2 3.46Å; V265-Y269 PolarHBondContact O-N 3.04Å; V265-Y269 VanDerWaalsContact O-N 3.15Å
266L95.9Very high95.7Very high0 Ų050 Ų500%027%0.273CS..Hα-helixtrans-59.4-47.2177.5-66.5169.9000111.3N262 L263 Y269 G270 I271 I274 F285 F291 L328N262-L266 VanDerWaalsContact O-CG 3.25Å; N262-L266 WeakPolarHBondContact O-CG 3.24Å; N262-L266 PolarHBondContact O-N 3.18Å; L263-L266 PolarHBondContact O-N 3.45Å; L266-Y269 PolarHBondContact O-N 3.43Å; L266-G270 PolarHBondContact O-N 3.35Å; L266-G270 VanDerWaalsContact O-N 3.14Å; L266-I271 HydrophobicContact CB-CB 4.41Å; L266-I271 HydrophobicContact CD2-CB 3.89Å; L266-I271 HydrophobicContact CD2-CD1 4.07Å; L266-I271 HydrophobicContact CD2-CG2 3.62Å; L266-I271 PolarHBondContact O-N 3.37Å; L266-I274 HydrophobicContact CD1-CD1 4.01Å; L266-I274 HydrophobicContact CD2-CD1 4.17Å; L266-F285 HydrophobicContact CD1-CD2 3.97Å; L266-F285 HydrophobicContact CD1-CE2 3.79Å; L266-F291 HydrophobicContact CB-CE1 4.02Å; L266-F291 HydrophobicContact CB-CZ 4.19Å; L266-F291 HydrophobicContact CD1-CE1 3.85Å; L266-F291 HydrophobicContact CD1-CZ 3.96Å; L266-F291 HydrophobicContact CG-CE1 4.42Å; L266-L328 HydrophobicContact CD2-CD2 3.91Å
267G95.3Very high95.9Very high56 Ų5648.7 Ų48.758%0.57726%0.264SS*.Hα-helixtrans-63.8-4517700000112.7L263 V265 Y269 G270L263-G267 PolarHBondContact O-N 3.04Å; V265-G267 PolarHBondContact O-N 3.48Å; G267-Y269 VanDerWaalsContact C-N 3.26Å; G267-Y269 PolarHBondContact O-N 3.24Å; G267-G270 PolarHBondContact O-N 3.24Å; G267-G270 VanDerWaalsContact O-N 3.09Å
268K95.3Very high95.8Very high153 Ų15347.8 Ų47.867%0.66526%0.257SS*.Hα-helixtrans-56.5-37.8178.2178.8-178.3179-175.10112.9D264 V265D264-K268 WeakPolarHBondContact O-CB 3.28Å; D264-K268 PolarHBondContact O-N 3.26Å; V265-K268 PolarHBondContact O-N 3.14Å
269Y95.7Very high95.5Very high60 Ų6042.6 Ų42.624%0.23524%0.24CC..THydrogen-bonded Turntrans-97.26.5-179.2-66.1-66000113.7P245 Y253 V265 L266 G267 I271P245-Y269 HydrophobicContact CG-CD2 4.4Å; Y253-Y269 AromaticContact CE1-CD1 3.82Å; Y253-Y269 HydrophobicContact CE1-CD1 3.82Å; Y253-Y269 AromaticContact CE1-CG 3.97Å; Y253-Y269 HydrophobicContact CE1-CG 3.97Å; V265-Y269 HydrophobicContact CG1-CD2 3.91Å; V265-Y269 HydrophobicContact CG1-CE2 4.02Å; V265-Y269 WeakPolarHBondContact O-CD2 3.46Å; V265-Y269 PolarHBondContact O-N 3.04Å; V265-Y269 VanDerWaalsContact O-N 3.15Å; L266-Y269 PolarHBondContact O-N 3.43Å; G267-Y269 VanDerWaalsContact C-N 3.26Å; G267-Y269 PolarHBondContact O-N 3.24Å; Y269-I271 PolarHBondContact O-N 3.14Å
270G96.7Very high95.2Very high39 Ų3947.8 Ų47.840%0.40227%0.268SS..THydrogen-bonded Turntrans60.832.5-179.900000113.2L266 G267 G326L266-G270 PolarHBondContact O-N 3.35Å; L266-G270 VanDerWaalsContact O-N 3.14Å; G267-G270 PolarHBondContact O-N 3.24Å; G267-G270 VanDerWaalsContact O-N 3.09Å; G270-G326 WeakPolarHBondContact O-CA 3.42Å; G270-G326 PolarHBondContact O-N 3.45Å
271I98.1Very high94.8Very high4 Ų449.1 Ų49.12%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-81.4120.5179.7-63.3163.8000108.4P245 Y253 L266 Y269 Y273 I274 F291 G326 L328P245-I271 HydrophobicContact CG-CD1 4.09Å; Y253-I271 HydrophobicContact CD2-CD1 3.95Å; Y253-I271 HydrophobicContact CD2-CG1 3.82Å; Y253-I271 HydrophobicContact CE2-CD1 4.49Å; Y253-I271 HydrophobicContact CE2-CG1 4.12Å; Y253-I271 HydrophobicContact CG-CD1 3.99Å; Y253-I271 HydrophobicContact CG-CG1 4.38Å; L266-I271 HydrophobicContact CB-CB 4.41Å; L266-I271 HydrophobicContact CD2-CB 3.89Å; L266-I271 HydrophobicContact CD2-CD1 4.07Å; L266-I271 HydrophobicContact CD2-CG2 3.62Å; L266-I271 PolarHBondContact O-N 3.37Å; Y269-I271 PolarHBondContact O-N 3.14Å; I271-Y273 WeakPolarHBondContact CG2-O 3.23Å; I271-I274 HydrophobicContact CG2-CG1 4.28Å; I271-F291 VanDerWaalsContact O-CE1 3.27Å; I271-F291 WeakPolarHBondContact O-CE1 3.37Å; I271-G326 WeakPolarHBondContact CA-O 3.42Å; I271-L328 HydrophobicContact CD1-CB 4.31Å; I271-L328 HydrophobicContact CG2-CB 3.79Å
272K97.9Very high94.7Very high97 Ų9750 Ų5042%0.42228%0.282SS..EExtended strand (participates in β ladder)trans-124.5-11.6171.3-52-169.3171.3-160.50113.2F291 T292 C325 G326K272-F291 CarbonylContact O-C 3.58Å; K272-F291 VanDerWaalsContact O-CA 3.28Å; K272-F291 WeakPolarHBondContact O-CA 3.33Å; K272-T292 PolarHBondContact O-N 2.9Å; K272-C325 WeakPolarHBondContact CB-SG 3.41Å; K272-G326 PolarHBondContact N-O 3.38Å
273Y98.7Very high94.7Very high16 Ų1648 Ų486%0.06327%0.271CS..EExtended strand (participates in β ladder)trans-104.5131.2174.5-79.4-111.4000109.4I271 T292 F316 E319 A320 K323 C325 G326 V327 L328I271-Y273 WeakPolarHBondContact CG2-O 3.23Å; Y273-T292 WeakPolarHBondContact CA-O 3.32Å; Y273-T292 HydrophobicContact CD1-CG2 4.09Å; Y273-T292 HydrophobicContact CE1-CG2 3.78Å; Y273-F316 HydrophobicContact CD1-CD2 4.24Å; Y273-F316 AromaticContact CD1-CE1 3.98Å; Y273-F316 HydrophobicContact CD1-CE1 3.98Å; Y273-F316 AromaticContact CD1-CE2 3.66Å; Y273-F316 HydrophobicContact CD1-CE2 3.66Å; Y273-F316 AromaticContact CD1-CZ 3.53Å; Y273-F316 HydrophobicContact CD1-CZ 3.53Å; Y273-F316 HydrophobicContact CE1-CE2 4.12Å; Y273-F316 HydrophobicContact CE1-CZ 4.41Å; Y273-F316 HydrophobicContact CG-CZ 4.27Å; Y273-E319 HydrophobicContact CE1-CG 4.36Å; Y273-E319 WeakPolarHBondContact CE1-OE1 3.48Å; Y273-E319 PolarHBondContact OH-OE1 3.43Å; Y273-A320 HydrophobicContact CD1-CB 3.76Å; Y273-A320 HydrophobicContact CD2-CB 3.7Å; Y273-A320 HydrophobicContact CE1-CB 4.33Å; Y273-A320 HydrophobicContact CE2-CB 4.28Å; Y273-A320 HydrophobicContact CG-CB 3.43Å; Y273-A320 VanDerWaalsContact CG-CB 3.43Å; Y273-K323 PolarHBondContact OH-NZ 3.36Å; Y273-C325 HydrophobicContact CD2-CB 4.44Å; Y273-G326 PolarHBondContact N-O 3.11Å; Y273-G326 VanDerWaalsContact N-O 3.12Å; Y273-V327 CarbonylContact O-C 3.51Å; Y273-V327 VanDerWaalsContact O-CA 3.26Å; Y273-V327 WeakPolarHBondContact O-CA 3.49Å; Y273-L328 PolarHBondContact O-N 3.26Å
274I98.7Very high94.6Very high0 Ų046.3 Ų46.30%027%0.269CS..EExtended strand (participates in β ladder)trans-129.6115.1179.3-60.5171.6000108.9L266 I271 F291 T292 Y293 K294L266-I274 HydrophobicContact CD1-CD1 4.01Å; L266-I274 HydrophobicContact CD2-CD1 4.17Å; I271-I274 HydrophobicContact CG2-CG1 4.28Å; I274-F291 HydrophobicContact CD1-CD1 3.7Å; I274-F291 HydrophobicContact CD1-CE1 4.16Å; I274-F291 HydrophobicContact CD1-CG 4.33Å; I274-F291 HydrophobicContact CG1-CD1 4.35Å; I274-T292 PolarHBondContact N-O 3.45Å; I274-Y293 HydrophobicContact CB-CD1 3.74Å; I274-Y293 HydrophobicContact CB-CE1 3.6Å; I274-Y293 HydrophobicContact CB-CG 4.37Å; I274-Y293 HydrophobicContact CD1-CE1 3.84Å; I274-Y293 HydrophobicContact CD1-CE2 4.17Å; I274-Y293 VanDerWaalsContact CD1-OH 3.3Å; I274-Y293 WeakPolarHBondContact CD1-OH 3.21Å; I274-Y293 HydrophobicContact CG1-CE1 4.29Å; I274-Y293 HydrophobicContact CG2-CD1 3.86Å; I274-Y293 HydrophobicContact CG2-CE1 3.53Å; I274-Y293 WeakPolarHBondContact O-CA 3.3Å; I274-K294 PolarHBondContact O-N 3.26Å
275L98.9Very high94.6Very high0 Ų041.8 Ų41.80%024%0.243CC..EExtended strand (participates in β ladder)trans-98.1104.1174-176.860000109.1V277 K294 I296 A313 F316 I317 L328 V329 H330 V341L275-V277 HydrophobicContact CG-CG2 4.21Å; L275-K294 WeakPolarHBondContact CA-O 3.48Å; L275-K294 HydrophobicContact CD1-CB 3.83Å; L275-K294 HydrophobicContact CD1-CD 3.79Å; L275-K294 HydrophobicContact CD1-CG 3.66Å; L275-I296 HydrophobicContact CD1-CD1 3.87Å; L275-I296 HydrophobicContact CD1-CG1 4.23Å; L275-A313 HydrophobicContact CD2-CB 3.89Å; L275-F316 HydrophobicContact CB-CD1 3.95Å; L275-F316 HydrophobicContact CB-CE1 3.9Å; L275-F316 HydrophobicContact CD1-CD1 4.14Å; L275-F316 HydrophobicContact CG-CD1 4.44Å; L275-I317 HydrophobicContact CD2-CD1 4.23Å; L275-I317 HydrophobicContact CD2-CG1 4.28Å; L275-L328 PolarHBondContact N-O 3.07Å; L275-V329 HydrophobicContact CB-CG1 4.48Å; L275-V329 HydrophobicContact CB-CG2 4.29Å; L275-V329 HydrophobicContact CD2-CG1 4.09Å; L275-V329 HydrophobicContact CD2-CG2 4.18Å; L275-V329 HydrophobicContact CG-CG1 4.42Å; L275-H330 PolarHBondContact O-N 2.89Å; L275-V341 HydrophobicContact CD2-CG1 3.92Å
276N98.6Very high94.4Very high0 Ų044.8 Ų44.80%026%0.255CS..EExtended strand (participates in β ladder)trans-92.3103.9-179.1176.66.1000110.2T278 L281 N283 K294 Q295 I296 H330N276-T278 VanDerWaalsContact C-N 3.28Å; N276-T278 PolarHBondContact O-N 2.86Å; N276-T278 WeakPolarHBondContact OD1-CB 3.3Å; N276-T278 PolarHBondContact OD1-N 3.38Å; N276-T278 PolarHBondContact OD1-OG1 3.49Å; N276-L281 PolarHBondContact ND2-O 3.08Å; N276-N283 PolarHBondContact ND2-OD1 3.23Å; N276-K294 PolarHBondContact N-O 3.29Å; N276-Q295 HydrophobicContact CB-CB 4.49Å; N276-Q295 HydrophobicContact CB-CG 4.3Å; N276-Q295 CarbonylContact O-C 3.13Å; N276-Q295 WeakPolarHBondContact O-CA 3.16Å; N276-I296 PolarHBondContact O-N 2.93Å; N276-H330 WeakPolarHBondContact CB-NE2 3.42Å
277V98.5Very high93.8Very high0 Ų053.6 Ų53.60%030%0.296CS..  trans-9455.2179.8-1610000110.2L275 I296 L306 V329 H330 R337 V341L275-V277 HydrophobicContact CG-CG2 4.21Å; V277-I296 CarbonylContact C-O 3.38Å; V277-I296 WeakPolarHBondContact CA-O 3.48Å; V277-I296 HydrophobicContact CG1-CB 4.29Å; V277-I296 HydrophobicContact CG1-CG2 4.21Å; V277-L306 HydrophobicContact CG1-CD1 3.84Å; V277-V329 HydrophobicContact CG2-CG1 4.16Å; V277-H330 PolarHBondContact N-O 3Å; V277-R337 HydrophobicContact CB-CB 4.24Å; V277-R337 HydrophobicContact CG1-CB 3.85Å; V277-R337 WeakPolarHBondContact O-CD 3.29Å; V277-V341 HydrophobicContact CG1-CG2 4.25Å; V277-V341 HydrophobicContact CG2-CG2 4.13Å
278T92.1Very high92.9Very high0 Ų054.1 Ų54.10%030%0.301CS..  trans-143.6150.4175.975.60000111.4N276 L281 Q295 I296 C331N276-T278 VanDerWaalsContact C-N 3.28Å; N276-T278 PolarHBondContact O-N 2.86Å; N276-T278 WeakPolarHBondContact OD1-CB 3.3Å; N276-T278 PolarHBondContact OD1-N 3.38Å; N276-T278 PolarHBondContact OD1-OG1 3.49Å; T278-L281 HydrophobicContact CG2-CD1 3.77Å; T278-L281 HydrophobicContact CG2-CG 4.12Å; T278-L281 WeakPolarHBondContact OG1-CB 3.47Å; T278-L281 WeakPolarHBondContact OG1-CG 3.39Å; T278-L281 PolarHBondContact OG1-N 2.93Å; T278-Q295 WeakPolarHBondContact O-CG 3.27Å; T278-Q295 PolarHBondContact O-NE2 2.97Å; T278-I296 PolarHBondContact N-O 3.17Å; T278-C331 HydrophobicContact CG2-CB 4.02Å
279P85.8Confident92.3Very high60 Ų6050.4 Ų50.439%0.3931%0.306SS..SBendtrans-80.3-23.9177.932.3-34.1000112.9P297 I298P279-P297 HydrophobicContact CB-CB 4.11Å; P279-I298 WeakPolarHBondContact CD-O 3.39Å
280N85.8Confident91.9Very high124 Ų12453.1 Ų53.166%0.66332%0.321SS*.SBendtrans-126.2-8.1-160.463.1-39.1000114.8
281L87.4Confident91.9Very high34 Ų3452.2 Ų52.218%0.17831%0.306CS..SBendtrans-84.4135.7173.5-59.5-179.3000110.6A257 N276 T278 Q295 L332A257-L281 HydrophobicContact CB-CD1 3.56Å; N276-L281 PolarHBondContact ND2-O 3.08Å; T278-L281 HydrophobicContact CG2-CD1 3.77Å; T278-L281 HydrophobicContact CG2-CG 4.12Å; T278-L281 WeakPolarHBondContact OG1-CB 3.47Å; T278-L281 WeakPolarHBondContact OG1-CG 3.39Å; T278-L281 PolarHBondContact OG1-N 2.93Å; L281-Q295 PolarHBondContact O-NE2 2.92Å; L281-L332 HydrophobicContact CD1-CB 4.47Å; L281-L332 HydrophobicContact CD1-CD1 4.15Å; L281-L332 HydrophobicContact CD2-CD1 4.31Å
282P92.3Very high91.9Very high96 Ų9654.9 Ų54.962%0.62332%0.323SS*.  trans-74.1150.6179.331-35.3000111.9A284P282-A284 PolarHBondContact O-N 2.62Å; P282-A284 VanDerWaalsContact O-N 3.15Å
283N95.6Very high91.9Very high19 Ų1951.6 Ų51.610%0.10231%0.308CS..  trans-80.388.5167.7-63.7-20.8000109.1N276 F285 E286 Y293N276-N283 PolarHBondContact ND2-OD1 3.23Å; N283-F285 PolarHBondContact O-N 2.68Å; N283-E286 HydrophobicContact CB-CB 3.87Å; N283-E286 WeakPolarHBondContact CB-OE2 3.43Å; N283-E286 PolarHBondContact ND2-OE1 3.2Å; N283-E286 PolarHBondContact ND2-OE2 2.96Å; N283-E286 PolarHBondContact O-N 3.24Å; N283-Y293 HydrophobicContact CB-CD1 3.44Å; N283-Y293 VanDerWaalsContact CB-CD1 3.44Å; N283-Y293 HydrophobicContact CB-CD2 4.28Å; N283-Y293 HydrophobicContact CB-CE1 3.6Å; N283-Y293 HydrophobicContact CB-CE2 4.42Å; N283-Y293 HydrophobicContact CB-CG 3.79Å; N283-Y293 WeakPolarHBondContact OD1-CD1 3.04Å
284A92.6Very high91.9Very high50 Ų5053.6 Ų53.641%0.41332%0.317SS..THydrogen-bonded Turntrans-56.4-28.2-165.900000115.4T261 P282T261-A284 HydrophobicContact CG2-CB 3.99Å; P282-A284 PolarHBondContact O-N 2.62Å; P282-A284 VanDerWaalsContact O-N 3.15Å
285F93.6Very high91.9Very high44 Ų4457.1 Ų57.119%0.19333%0.333CS..THydrogen-bonded Turntrans-121.818.1-172.6-47.9-57.9000114.1S260 T261 L263 L266 N283 H287 G288 F291 Y293S260-F285 WeakPolarHBondContact O-CE2 3.17Å; T261-F285 WeakPolarHBondContact O-CZ 3.3Å; L263-F285 HydrophobicContact CD1-CD1 4.41Å; L263-F285 HydrophobicContact CD1-CE1 3.86Å; L263-F285 HydrophobicContact CD1-CZ 4.15Å; L263-F285 HydrophobicContact CD2-CD1 3.86Å; L263-F285 HydrophobicContact CD2-CD2 3.7Å; L263-F285 HydrophobicContact CD2-CE1 3.75Å; L263-F285 HydrophobicContact CD2-CE2 3.59Å; L263-F285 HydrophobicContact CD2-CG 3.85Å; L263-F285 HydrophobicContact CD2-CZ 3.63Å; L263-F285 HydrophobicContact CG-CD1 4.29Å; L263-F285 HydrophobicContact CG-CD2 4.49Å; L263-F285 HydrophobicContact CG-CE1 3.7Å; L263-F285 HydrophobicContact CG-CE2 3.91Å; L263-F285 HydrophobicContact CG-CZ 3.49Å; L263-F285 VanDerWaalsContact CG-CZ 3.49Å; L266-F285 HydrophobicContact CD1-CD2 3.97Å; L266-F285 HydrophobicContact CD1-CE2 3.79Å; N283-F285 PolarHBondContact O-N 2.68Å; F285-H287 VanDerWaalsContact C-N 3.33Å; F285-H287 PolarHBondContact O-N 3.1Å; F285-G288 PolarHBondContact O-N 3.25Å; F285-F291 HydrophobicContact CB-CD2 3.39Å; F285-F291 HydrophobicContact CB-CE2 3.76Å; F285-F291 HydrophobicContact CB-CG 4.15Å; F285-F291 HydrophobicContact CD2-CD2 4.39Å; F285-F291 HydrophobicContact CD2-CE2 4.12Å; F285-F291 HydrophobicContact CD2-CZ 4.43Å; F285-F291 HydrophobicContact CG-CD2 4.19Å; F285-F291 HydrophobicContact CG-CE2 4.08Å; F285-Y293 HydrophobicContact CB-CE2 4.26Å; F285-Y293 WeakPolarHBondContact CD2-OH 3.24Å; F285-Y293 PolarHBondContact N-OH 2.9Å
286E88.3Confident91.9Very high88 Ų8857.1 Ų57.141%0.41133%0.333SS..G310 helixtrans-62.6-36.6-174.2-172.8161.5-138.300113.2N283 G288 Y293N283-E286 HydrophobicContact CB-CB 3.87Å; N283-E286 WeakPolarHBondContact CB-OE2 3.43Å; N283-E286 PolarHBondContact ND2-OE1 3.2Å; N283-E286 PolarHBondContact ND2-OE2 2.96Å; N283-E286 PolarHBondContact O-N 3.24Å; E286-G288 VanDerWaalsContact C-N 3.32Å; E286-G288 PolarHBondContact O-N 3.32Å; E286-Y293 HydrophobicContact CB-CD2 3.95Å; E286-Y293 HydrophobicContact CB-CE2 4.24Å; E286-Y293 HydrophobicContact CG-CD2 4.3Å
287H84.2Confident91.8Very high186 Ų18660.5 Ų60.586%0.86136%0.356SS*.G310 helixtrans-83.2-3.8-176.6-55.2-50.2000114.5F285F285-H287 VanDerWaalsContact C-N 3.33Å; F285-H287 PolarHBondContact O-N 3.1Å
288G77.3Confident91.4Very high66 Ų6660.9 Ų60.968%0.6836%0.357SS*.G310 helixtrans-83.3-8.8-17800000114.8F285 E286 E290F285-G288 PolarHBondContact O-N 3.25Å; E286-G288 VanDerWaalsContact C-N 3.32Å; E286-G288 PolarHBondContact O-N 3.32Å; G288-E290 PolarHBondContact O-N 3.49Å; G288-E290 VanDerWaalsContact O-N 3.12Å
289G80.8Confident90.9Very high75 Ų7562.8 Ų62.877%0.77337%0.371SS*.SBendtrans73.6-9179.100000115.9
290E89.1Confident90.9Very high117 Ų11762.9 Ų62.955%0.54737%0.368SS..SBendtrans-85.9-24.7179.3-175.6168.7-158.900113.5G288G288-E290 PolarHBondContact O-N 3.49Å; G288-E290 VanDerWaalsContact O-N 3.12Å
291F96.8Very high90.5Very high20 Ų2059.5 Ų59.59%0.08835%0.348CS..  trans-114.4135.8-175.2-64.8-84000111.9L263 L266 I271 K272 I274 F285 Y293L263-F291 HydrophobicContact CD2-CE2 3.69Å; L263-F291 HydrophobicContact CD2-CZ 3.78Å; L266-F291 HydrophobicContact CB-CE1 4.02Å; L266-F291 HydrophobicContact CB-CZ 4.19Å; L266-F291 HydrophobicContact CD1-CE1 3.85Å; L266-F291 HydrophobicContact CD1-CZ 3.96Å; L266-F291 HydrophobicContact CG-CE1 4.42Å; I271-F291 VanDerWaalsContact O-CE1 3.27Å; I271-F291 WeakPolarHBondContact O-CE1 3.37Å; K272-F291 CarbonylContact O-C 3.58Å; K272-F291 VanDerWaalsContact O-CA 3.28Å; K272-F291 WeakPolarHBondContact O-CA 3.33Å; I274-F291 HydrophobicContact CD1-CD1 3.7Å; I274-F291 HydrophobicContact CD1-CE1 4.16Å; I274-F291 HydrophobicContact CD1-CG 4.33Å; I274-F291 HydrophobicContact CG1-CD1 4.35Å; F285-F291 HydrophobicContact CB-CD2 3.39Å; F285-F291 HydrophobicContact CB-CE2 3.76Å; F285-F291 HydrophobicContact CB-CG 4.15Å; F285-F291 HydrophobicContact CD2-CD2 4.39Å; F285-F291 HydrophobicContact CD2-CE2 4.12Å; F285-F291 HydrophobicContact CD2-CZ 4.43Å; F285-F291 HydrophobicContact CG-CD2 4.19Å; F285-F291 HydrophobicContact CG-CE2 4.08Å; F291-Y293 HydrophobicContact CB-CD2 3.91Å; F291-Y293 HydrophobicContact CB-CE2 3.44Å; F291-Y293 VanDerWaalsContact CB-CE2 3.44Å; F291-Y293 HydrophobicContact CG-CE2 4.23Å
292T97.9Very high89.3Confident61 Ų6163.2 Ų63.237%0.37436%0.36SS..EExtended strand (participates in β ladder)trans-97.1121168.4-53.20000108.6K272 Y273 I274 F316K272-T292 PolarHBondContact O-N 2.9Å; Y273-T292 WeakPolarHBondContact CA-O 3.32Å; Y273-T292 HydrophobicContact CD1-CG2 4.09Å; Y273-T292 HydrophobicContact CE1-CG2 3.78Å; I274-T292 PolarHBondContact N-O 3.45Å; T292-F316 HydrophobicContact CG2-CE2 3.99Å; T292-F316 HydrophobicContact CG2-CZ 4.41Å
293Y98.3Very high88.3Confident27 Ų2761.8 Ų61.811%0.10635%0.352CS..EExtended strand (participates in β ladder)trans-105.7149.4178.2-79.2-98.2000111.8I274 N283 F285 E286 F291I274-Y293 HydrophobicContact CB-CD1 3.74Å; I274-Y293 HydrophobicContact CB-CE1 3.6Å; I274-Y293 HydrophobicContact CB-CG 4.37Å; I274-Y293 HydrophobicContact CD1-CE1 3.84Å; I274-Y293 HydrophobicContact CD1-CE2 4.17Å; I274-Y293 VanDerWaalsContact CD1-OH 3.3Å; I274-Y293 WeakPolarHBondContact CD1-OH 3.21Å; I274-Y293 HydrophobicContact CG1-CE1 4.29Å; I274-Y293 HydrophobicContact CG2-CD1 3.86Å; I274-Y293 HydrophobicContact CG2-CE1 3.53Å; I274-Y293 WeakPolarHBondContact O-CA 3.3Å; N283-Y293 HydrophobicContact CB-CD1 3.44Å; N283-Y293 VanDerWaalsContact CB-CD1 3.44Å; N283-Y293 HydrophobicContact CB-CD2 4.28Å; N283-Y293 HydrophobicContact CB-CE1 3.6Å; N283-Y293 HydrophobicContact CB-CE2 4.42Å; N283-Y293 HydrophobicContact CB-CG 3.79Å; N283-Y293 WeakPolarHBondContact OD1-CD1 3.04Å; F285-Y293 HydrophobicContact CB-CE2 4.26Å; F285-Y293 WeakPolarHBondContact CD2-OH 3.24Å; F285-Y293 PolarHBondContact N-OH 2.9Å; E286-Y293 HydrophobicContact CB-CD2 3.95Å; E286-Y293 HydrophobicContact CB-CE2 4.24Å; E286-Y293 HydrophobicContact CG-CD2 4.3Å; F291-Y293 HydrophobicContact CB-CD2 3.91Å; F291-Y293 HydrophobicContact CB-CE2 3.44Å; F291-Y293 VanDerWaalsContact CB-CE2 3.44Å; F291-Y293 HydrophobicContact CG-CE2 4.23Å
294K98.4Very high87.8Confident59 Ų5963.3 Ų63.326%0.25736%0.358SS..EExtended strand (participates in β ladder)trans-135132.8158171.7178.1-91.2-69.50107.8I274 L275 N276 E312 F316I274-K294 PolarHBondContact O-N 3.26Å; L275-K294 WeakPolarHBondContact CA-O 3.48Å; L275-K294 HydrophobicContact CD1-CB 3.83Å; L275-K294 HydrophobicContact CD1-CD 3.79Å; L275-K294 HydrophobicContact CD1-CG 3.66Å; N276-K294 PolarHBondContact N-O 3.29Å; K294-E312 IonicContact NZ-OE1 2.82Å; K294-E312 PolarHBondContact NZ-OE1 2.88Å; K294-E312 IonicContact NZ-OE2 3.94Å; K294-F316 HydrophobicContact CB-CD1 4.17Å; K294-F316 HydrophobicContact CB-CD2 3.67Å; K294-F316 HydrophobicContact CB-CE1 4.06Å; K294-F316 HydrophobicContact CB-CE2 3.54Å; K294-F316 HydrophobicContact CB-CG 3.97Å; K294-F316 HydrophobicContact CB-CZ 3.74Å; K294-F316 HydrophobicContact CD-CB 3.82Å; K294-F316 HydrophobicContact CD-CD2 4.04Å; K294-F316 HydrophobicContact CD-CG 3.9Å; K294-F316 HydrophobicContact CG-CD2 4.49Å
295Q98.3Very high87.7Confident73 Ų7364.2 Ų64.234%0.34136%0.356SS..EExtended strand (participates in β ladder)trans-111128.3176.1-170.7173.713.600110.2N276 T278 L281N276-Q295 HydrophobicContact CB-CB 4.49Å; N276-Q295 HydrophobicContact CB-CG 4.3Å; N276-Q295 CarbonylContact O-C 3.13Å; N276-Q295 WeakPolarHBondContact O-CA 3.16Å; T278-Q295 WeakPolarHBondContact O-CG 3.27Å; T278-Q295 PolarHBondContact O-NE2 2.97Å; L281-Q295 PolarHBondContact O-NE2 2.92Å
296I98.3Very high87.9Confident0 Ų062.1 Ų62.10%035%0.347CS..  trans-109.4103.4169.9-67.3169.2000106.3L275 N276 V277 T278 I298 L306 F309 A313L275-I296 HydrophobicContact CD1-CD1 3.87Å; L275-I296 HydrophobicContact CD1-CG1 4.23Å; N276-I296 PolarHBondContact O-N 2.93Å; V277-I296 CarbonylContact C-O 3.38Å; V277-I296 WeakPolarHBondContact CA-O 3.48Å; V277-I296 HydrophobicContact CG1-CB 4.29Å; V277-I296 HydrophobicContact CG1-CG2 4.21Å; T278-I296 PolarHBondContact N-O 3.17Å; I296-I298 HydrophobicContact CG2-CB 4.34Å; I296-I298 HydrophobicContact CG2-CG1 3.83Å; I296-I298 PolarHBondContact O-N 2.96Å; I296-L306 HydrophobicContact CG2-CD1 4Å; I296-F309 HydrophobicContact CD1-CB 3.95Å; I296-F309 HydrophobicContact CG1-CB 4.29Å; I296-F309 HydrophobicContact CG1-CD1 4.49Å; I296-F309 HydrophobicContact CG2-CB 3.81Å; I296-F309 HydrophobicContact CG2-CD1 4.08Å; I296-F309 HydrophobicContact CG2-CD2 3.8Å; I296-F309 HydrophobicContact CG2-CE2 4.41Å; I296-F309 HydrophobicContact CG2-CG 3.62Å; I296-A313 HydrophobicContact CD1-CB 3.72Å
297P95.9Very high88.3Confident72 Ų7259.6 Ų59.647%0.46834%0.339SS..  trans-80.364.6-167.833.1-36.6000112.6P279P279-P297 HydrophobicContact CB-CB 4.11Å
298I90.3Very high88.9Confident7 Ų756.4 Ų56.44%0.03633%0.325CS..  trans-110.1125-178.2-71.9-65.6000111.8P279 I296 Q304 L306 F309 R337 F374P279-I298 WeakPolarHBondContact CD-O 3.39Å; I296-I298 HydrophobicContact CG2-CB 4.34Å; I296-I298 HydrophobicContact CG2-CG1 3.83Å; I296-I298 PolarHBondContact O-N 2.96Å; I298-Q304 HydrophobicContact CD1-CB 4.25Å; I298-Q304 HydrophobicContact CG2-CB 3.93Å; I298-Q304 HydrophobicContact CG2-CG 4.35Å; I298-L306 HydrophobicContact CB-CD1 4.12Å; I298-L306 HydrophobicContact CG1-CD1 4Å; I298-L306 HydrophobicContact CG2-CB 4.29Å; I298-L306 HydrophobicContact CG2-CD1 4.09Å; I298-F309 HydrophobicContact CD1-CD2 4.3Å; I298-F309 HydrophobicContact CD1-CE2 3.8Å; I298-F309 HydrophobicContact CG1-CD2 3.98Å; I298-F309 HydrophobicContact CG1-CE2 3.86Å; I298-R337 HydrophobicContact CG2-CG 4.43Å; I298-R337 WeakPolarHBondContact O-CD 3.36Å; I298-R337 PolarHBondContact O-NH1 2.75Å; I298-R337 VanDerWaalsContact O-NH1 3.08Å; I298-F374 HydrophobicContact CG2-CE1 4.35Å; I298-F374 HydrophobicContact CG2-CZ 3.89Å
299S83Confident89.9Confident41 Ų4155.4 Ų55.429%0.28730%0.302SS..  trans-74.7158.9171.2630000111.2H301 Q304S299-H301 PolarHBondContact O-N 3.09Å; S299-Q304 VanDerWaalsContact OG-CD 3.3Å; S299-Q304 WeakPolarHBondContact OG-CG 3.13Å
300D84.2Confident90.8Very high61 Ų6151.9 Ų51.933%0.32627%0.265SS..SBendtrans-83.861.3-179.1-140.1-30.5000110.9S336 R337 F374D300-S336 WeakPolarHBondContact OD1-CB 3.36Å; D300-S336 PolarHBondContact OD1-OG 3.15Å; D300-S336 WeakPolarHBondContact OD2-CB 3.12Å; D300-R337 HydrophobicContact CB-CG 4.32Å; D300-R337 VanDerWaalsContact CB-NE 3.33Å; D300-R337 IonicContact OD2-CZ 3.23Å; D300-R337 IonicContact OD2-NE 3.67Å; D300-R337 PolarHBondContact OD2-NE 2.98Å; D300-R337 IonicContact OD2-NH2 2.75Å; D300-F374 WeakPolarHBondContact OD1-CE2 3.42Å
301H77.3Confident91.2Very high53 Ų5350.2 Ų50.225%0.24527%0.265CS..SBendtrans-133.7151.2-165-169.3-99.1000111.8S299 S303 Q304S299-H301 PolarHBondContact O-N 3.09Å; H301-S303 PolarHBondContact ND1-N 3.2Å; H301-S303 PolarHBondContact ND1-OG 3.05Å; H301-S303 PolarHBondContact O-N 3.26Å; H301-Q304 HydrophobicContact CB-CG 3.97Å; H301-Q304 WeakPolarHBondContact O-CB 3.33Å; H301-Q304 PolarHBondContact O-N 3.38Å
302W63.9Low91.3Very high113 Ų11352.5 Ų52.543%0.42828%0.275SS..THydrogen-bonded Turntrans-67.3-23.9-175.162.5-99000113.2Q304 F372 N373W302-Q304 VanDerWaalsContact C-N 3.27Å; W302-Q304 PolarHBondContact O-N 3.14Å; W302-F372 HydrophobicContact CB-CE1 3.93Å; W302-F372 HydrophobicContact CB-CE2 4.4Å; W302-F372 HydrophobicContact CB-CZ 3.54Å; W302-F372 HydrophobicContact CG-CZ 4.37Å; W302-N373 HydrophobicContact CB-CB 4.21Å; W302-N373 PolarHBondContact O-ND2 3.08Å; W302-N373 PolarHBondContact O-OD1 3.13Å
303S70.8Confident91.3Very high65 Ų6549.6 Ų49.646%0.45526%0.258SS..THydrogen-bonded Turntrans-80.9-5.617968.40000114H301H301-S303 PolarHBondContact ND1-N 3.2Å; H301-S303 PolarHBondContact ND1-OG 3.05Å; H301-S303 PolarHBondContact O-N 3.26Å
304Q85.1Confident91.4Very high51 Ų5148.6 Ų48.624%0.23825%0.254CS..  trans-88.9134.5-171.3-63.1-64.2-66.500111.4I298 S299 H301 W302 N373 F374 Q377I298-Q304 HydrophobicContact CD1-CB 4.25Å; I298-Q304 HydrophobicContact CG2-CB 3.93Å; I298-Q304 HydrophobicContact CG2-CG 4.35Å; S299-Q304 VanDerWaalsContact OG-CD 3.3Å; S299-Q304 WeakPolarHBondContact OG-CG 3.13Å; H301-Q304 HydrophobicContact CB-CG 3.97Å; H301-Q304 WeakPolarHBondContact O-CB 3.33Å; H301-Q304 PolarHBondContact O-N 3.38Å; W302-Q304 VanDerWaalsContact C-N 3.27Å; W302-Q304 PolarHBondContact O-N 3.14Å; Q304-N373 PolarHBondContact O-ND2 3.23Å; Q304-F374 HydrophobicContact CB-CE1 4.11Å; Q304-F374 HydrophobicContact CB-CZ 4.22Å; Q304-Q377 PolarHBondContact O-NE2 3.05Å
305N90.5Very high91.4Very high69 Ų6949.5 Ų49.537%0.36927%0.268SS..  trans-95.4100.8170.6-177.5-10.4000109.3S307 Q308N305-S307 PolarHBondContact OD1-N 2.69Å; N305-S307 PolarHBondContact OD1-OG 3.47Å; N305-Q308 WeakPolarHBondContact O-CG 3.21Å; N305-Q308 PolarHBondContact O-NE2 2.91Å; N305-Q308 PolarHBondContact OD1-N 2.92Å; N305-Q308 VanDerWaalsContact OD1-N 3.14Å
306L97.1Very high91.4Very high0 Ų046.5 Ų46.50%025%0.254CS..  trans-88.9-28.3176.5-17755.2000111.7V277 I296 I298 Q308 F309 F310 R337 T340 V341 F374V277-L306 HydrophobicContact CG1-CD1 3.84Å; I296-L306 HydrophobicContact CG2-CD1 4Å; I298-L306 HydrophobicContact CB-CD1 4.12Å; I298-L306 HydrophobicContact CG1-CD1 4Å; I298-L306 HydrophobicContact CG2-CB 4.29Å; I298-L306 HydrophobicContact CG2-CD1 4.09Å; L306-Q308 VanDerWaalsContact C-N 3.28Å; L306-Q308 PolarHBondContact O-N 2.77Å; L306-F309 PolarHBondContact O-N 3.03Å; L306-F310 HydrophobicContact CG-CE1 4.04Å; L306-R337 HydrophobicContact CD2-CB 4.45Å; L306-T340 HydrophobicContact CD2-CG2 3.91Å; L306-V341 HydrophobicContact CD1-CG2 4.14Å; L306-V341 HydrophobicContact CD2-CG2 4.24Å; L306-V341 HydrophobicContact CG-CG2 4.36Å; L306-F374 HydrophobicContact CB-CD1 3.77Å; L306-F374 HydrophobicContact CB-CE1 3.56Å; L306-F374 HydrophobicContact CB-CZ 4.3Å; L306-F374 HydrophobicContact CD2-CD1 4.15Å; L306-F374 HydrophobicContact CD2-CD2 4.38Å; L306-F374 HydrophobicContact CD2-CE1 4.13Å; L306-F374 HydrophobicContact CD2-CE2 4.36Å; L306-F374 HydrophobicContact CD2-CG 4.29Å; L306-F374 HydrophobicContact CD2-CZ 4.24Å
307S97.1Very high91.4Very high35 Ų3546.5 Ų46.525%0.24525%0.254CS..G310 helixtrans-63.7-30.4-177.356.60000114.1N305 F309 F310N305-S307 PolarHBondContact OD1-N 2.69Å; N305-S307 PolarHBondContact OD1-OG 3.47Å; S307-F309 PolarHBondContact O-N 3.39Å; S307-F309 VanDerWaalsContact O-N 3.07Å; S307-F310 VanDerWaalsContact CA-CE2 3.49Å; S307-F310 VanDerWaalsContact CB-CE2 3.41Å; S307-F310 WeakPolarHBondContact O-CB 3.41Å; S307-F310 WeakPolarHBondContact O-CG 3.38Å; S307-F310 PolarHBondContact O-N 2.76Å
308Q97.3Very high91.5Very high119 Ų11945 Ų4556%0.55624%0.242SC*.G310 helixtrans-57.2-23.7172.971.3-175.9-40.500113.1N305 L306N305-Q308 WeakPolarHBondContact O-CG 3.21Å; N305-Q308 PolarHBondContact O-NE2 2.91Å; N305-Q308 PolarHBondContact OD1-N 2.92Å; N305-Q308 VanDerWaalsContact OD1-N 3.14Å; L306-Q308 VanDerWaalsContact C-N 3.28Å; L306-Q308 PolarHBondContact O-N 2.77Å
309F98.6Very high91.9Very high45 Ų4548.2 Ų48.220%0.19726%0.257CS..G310 helixtrans-96.3-2.7179.1-60.5-79.1000113.7I296 I298 L306 S307 E312 A313I296-F309 HydrophobicContact CD1-CB 3.95Å; I296-F309 HydrophobicContact CG1-CB 4.29Å; I296-F309 HydrophobicContact CG1-CD1 4.49Å; I296-F309 HydrophobicContact CG2-CB 3.81Å; I296-F309 HydrophobicContact CG2-CD1 4.08Å; I296-F309 HydrophobicContact CG2-CD2 3.8Å; I296-F309 HydrophobicContact CG2-CE2 4.41Å; I296-F309 HydrophobicContact CG2-CG 3.62Å; I298-F309 HydrophobicContact CD1-CD2 4.3Å; I298-F309 HydrophobicContact CD1-CE2 3.8Å; I298-F309 HydrophobicContact CG1-CD2 3.98Å; I298-F309 HydrophobicContact CG1-CE2 3.86Å; L306-F309 PolarHBondContact O-N 3.03Å; S307-F309 PolarHBondContact O-N 3.39Å; S307-F309 VanDerWaalsContact O-N 3.07Å; F309-E312 HydrophobicContact CB-CG 4.15Å; F309-E312 HydrophobicContact CD1-CG 4.26Å; F309-E312 WeakPolarHBondContact O-CG 3.42Å; F309-E312 PolarHBondContact O-N 3.24Å; F309-A313 WeakPolarHBondContact O-CB 3.37Å; F309-A313 PolarHBondContact O-N 2.9Å
310F98.6Very high92.7Very high1 Ų146.3 Ų46.30%0.00424%0.243CC..Hα-helixtrans-56-45.1178.5-65.9-18.6000112.8L306 S307 E312 A313 I314 T340 A344 L378 F381L306-F310 HydrophobicContact CG-CE1 4.04Å; S307-F310 VanDerWaalsContact CA-CE2 3.49Å; S307-F310 VanDerWaalsContact CB-CE2 3.41Å; S307-F310 WeakPolarHBondContact O-CB 3.41Å; S307-F310 WeakPolarHBondContact O-CG 3.38Å; S307-F310 PolarHBondContact O-N 2.76Å; F310-E312 PolarHBondContact O-N 3.47Å; F310-A313 PolarHBondContact O-N 3.05Å; F310-I314 HydrophobicContact CB-CD1 4.19Å; F310-I314 VanDerWaalsContact O-CB 3.28Å; F310-I314 WeakPolarHBondContact O-CB 3.24Å; F310-I314 WeakPolarHBondContact O-CD1 3.32Å; F310-I314 WeakPolarHBondContact O-CG1 3.44Å; F310-I314 PolarHBondContact O-N 2.76Å; F310-T340 HydrophobicContact CE1-CG2 4.02Å; F310-T340 HydrophobicContact CZ-CG2 3.86Å; F310-A344 HydrophobicContact CD1-CB 3.85Å; F310-A344 HydrophobicContact CD2-CB 3.85Å; F310-A344 HydrophobicContact CE1-CB 3.91Å; F310-A344 HydrophobicContact CE2-CB 3.92Å; F310-A344 HydrophobicContact CG-CB 3.83Å; F310-A344 HydrophobicContact CZ-CB 3.95Å; F310-L378 HydrophobicContact CE2-CD2 4.12Å; F310-L378 HydrophobicContact CZ-CD2 3.91Å; F310-L378 HydrophobicContact CZ-CG 4.47Å; F310-F381 HydrophobicContact CB-CE2 4.43Å; F310-F381 HydrophobicContact CB-CZ 4.41Å; F310-F381 HydrophobicContact CD2-CB 4.12Å; F310-F381 AromaticContact CD2-CD1 3.85Å; F310-F381 HydrophobicContact CD2-CD1 3.85Å; F310-F381 AromaticContact CD2-CD2 3.8Å; F310-F381 HydrophobicContact CD2-CD2 3.8Å; F310-F381 HydrophobicContact CD2-CE1 4.15Å; F310-F381 HydrophobicContact CD2-CE2 4.12Å; F310-F381 AromaticContact CD2-CG 3.65Å; F310-F381 HydrophobicContact CD2-CG 3.65Å; F310-F381 HydrophobicContact CD2-CZ 4.28Å; F310-F381 HydrophobicContact CE2-CB 3.9Å; F310-F381 HydrophobicContact CE2-CD1 4.09Å; F310-F381 HydrophobicContact CE2-CD2 4.44Å; F310-F381 AromaticContact CE2-CG 3.9Å; F310-F381 HydrophobicContact CE2-CG 3.9Å
311P98.3Very high93.3Very high83 Ų8346 Ų4654%0.53924%0.238SC..Hα-helixtrans-58.7-44.3-179.7-25.635.9000113.2S315P311-S315 WeakPolarHBondContact O-CB 3.32Å; P311-S315 PolarHBondContact O-N 2.68Å
312E98.3Very high94.3Very high67 Ų6748 Ų4831%0.31326%0.257SS..Hα-helixtrans-73.8-34.7-179.663.6159.5-95.400113.2K294 F309 F310 F316K294-E312 IonicContact NZ-OE1 2.82Å; K294-E312 PolarHBondContact NZ-OE1 2.88Å; K294-E312 IonicContact NZ-OE2 3.94Å; F309-E312 HydrophobicContact CB-CG 4.15Å; F309-E312 HydrophobicContact CD1-CG 4.26Å; F309-E312 WeakPolarHBondContact O-CG 3.42Å; F309-E312 PolarHBondContact O-N 3.24Å; F310-E312 PolarHBondContact O-N 3.47Å; E312-F316 WeakPolarHBondContact O-CB 3.39Å; E312-F316 PolarHBondContact O-N 3.1Å
313A98.8Very high95.9Very high0 Ų048.3 Ų48.30%026%0.262CS..Hα-helixtrans-64.5-45.4175.200000110.9L275 I296 F309 F310 F316 I317 V341L275-A313 HydrophobicContact CD2-CB 3.89Å; I296-A313 HydrophobicContact CD1-CB 3.72Å; F309-A313 WeakPolarHBondContact O-CB 3.37Å; F309-A313 PolarHBondContact O-N 2.9Å; F310-A313 PolarHBondContact O-N 3.05Å; A313-F316 PolarHBondContact O-N 3.24Å; A313-I317 VanDerWaalsContact O-CG1 3.28Å; A313-I317 WeakPolarHBondContact O-CG1 3.44Å; A313-I317 PolarHBondContact O-N 2.98Å; A313-V341 HydrophobicContact CB-CG1 3.62Å
314I98.8Very high97.2Very high7 Ų752.6 Ų52.64%0.03627%0.272CS..Hα-helixtrans-66.4-43.7-179-68.5169.6000110.4F310 F316 I317 D318 Y345 Q348 F381F310-I314 HydrophobicContact CB-CD1 4.19Å; F310-I314 VanDerWaalsContact O-CB 3.28Å; F310-I314 WeakPolarHBondContact O-CB 3.24Å; F310-I314 WeakPolarHBondContact O-CD1 3.32Å; F310-I314 WeakPolarHBondContact O-CG1 3.44Å; F310-I314 PolarHBondContact O-N 2.76Å; I314-F316 VanDerWaalsContact C-N 3.34Å; I314-F316 PolarHBondContact O-N 3.29Å; I314-I317 PolarHBondContact O-N 2.96Å; I314-D318 WeakPolarHBondContact O-CB 3.18Å; I314-D318 PolarHBondContact O-N 2.79Å; I314-Y345 HydrophobicContact CB-CD2 4.16Å; I314-Y345 HydrophobicContact CG1-CD2 4.02Å; I314-Y345 HydrophobicContact CG2-CD2 3.87Å; I314-Y345 HydrophobicContact CG2-CE2 4.15Å; I314-Q348 HydrophobicContact CD1-CB 4.06Å; I314-F381 HydrophobicContact CD1-CE1 4.46Å; I314-F381 HydrophobicContact CD1-CZ 4.1Å
315S98.8Very high97.8Very high78 Ų7851.1 Ų51.155%0.54527%0.267SS..Hα-helixtrans-58.8-44.6174.7-179.80000112P311 D318 E319P311-S315 WeakPolarHBondContact O-CB 3.32Å; P311-S315 PolarHBondContact O-N 2.68Å; S315-D318 PolarHBondContact O-N 3.18Å; S315-E319 WeakPolarHBondContact O-CB 3.47Å; S315-E319 PolarHBondContact O-N 3.41Å
316F98.8Very high98.2Very high10 Ų1047.9 Ų47.94%0.04425%0.25CC..Hα-helixtrans-64.7-41.4178.2-175.7-99.6000112.9Y273 L275 T292 K294 E312 A313 I314 E319 A320 V327Y273-F316 HydrophobicContact CD1-CD2 4.24Å; Y273-F316 AromaticContact CD1-CE1 3.98Å; Y273-F316 HydrophobicContact CD1-CE1 3.98Å; Y273-F316 AromaticContact CD1-CE2 3.66Å; Y273-F316 HydrophobicContact CD1-CE2 3.66Å; Y273-F316 AromaticContact CD1-CZ 3.53Å; Y273-F316 HydrophobicContact CD1-CZ 3.53Å; Y273-F316 HydrophobicContact CE1-CE2 4.12Å; Y273-F316 HydrophobicContact CE1-CZ 4.41Å; Y273-F316 HydrophobicContact CG-CZ 4.27Å; L275-F316 HydrophobicContact CB-CD1 3.95Å; L275-F316 HydrophobicContact CB-CE1 3.9Å; L275-F316 HydrophobicContact CD1-CD1 4.14Å; L275-F316 HydrophobicContact CG-CD1 4.44Å; T292-F316 HydrophobicContact CG2-CE2 3.99Å; T292-F316 HydrophobicContact CG2-CZ 4.41Å; K294-F316 HydrophobicContact CB-CD1 4.17Å; K294-F316 HydrophobicContact CB-CD2 3.67Å; K294-F316 HydrophobicContact CB-CE1 4.06Å; K294-F316 HydrophobicContact CB-CE2 3.54Å; K294-F316 HydrophobicContact CB-CG 3.97Å; K294-F316 HydrophobicContact CB-CZ 3.74Å; K294-F316 HydrophobicContact CD-CB 3.82Å; K294-F316 HydrophobicContact CD-CD2 4.04Å; K294-F316 HydrophobicContact CD-CG 3.9Å; K294-F316 HydrophobicContact CG-CD2 4.49Å; E312-F316 WeakPolarHBondContact O-CB 3.39Å; E312-F316 PolarHBondContact O-N 3.1Å; A313-F316 PolarHBondContact O-N 3.24Å; I314-F316 VanDerWaalsContact C-N 3.34Å; I314-F316 PolarHBondContact O-N 3.29Å; F316-E319 PolarHBondContact O-N 3.04Å; F316-A320 PolarHBondContact O-N 3.16Å; F316-V327 HydrophobicContact CD1-CG2 4.36Å; F316-V327 HydrophobicContact CE1-CG2 4.16Å
317I98.8Very high98.3Very high0 Ų047.9 Ų47.90%025%0.25CC..Hα-helixtrans-63.6-45.7175-67.7163.2000110.4L252 L275 A313 I314 E319 A320 R321 V327 V329 V341 Y345L252-I317 HydrophobicContact CD1-CG2 3.94Å; L252-I317 HydrophobicContact CD2-CG2 4.49Å; L275-I317 HydrophobicContact CD2-CD1 4.23Å; L275-I317 HydrophobicContact CD2-CG1 4.28Å; A313-I317 VanDerWaalsContact O-CG1 3.28Å; A313-I317 WeakPolarHBondContact O-CG1 3.44Å; A313-I317 PolarHBondContact O-N 2.98Å; I314-I317 PolarHBondContact O-N 2.96Å; I317-E319 VanDerWaalsContact C-N 3.34Å; I317-E319 PolarHBondContact O-N 2.92Å; I317-A320 PolarHBondContact O-N 2.85Å; I317-R321 HydrophobicContact CG2-CG 4.28Å; I317-R321 VanDerWaalsContact O-CG 3.29Å; I317-R321 WeakPolarHBondContact O-CG 3.34Å; I317-R321 PolarHBondContact O-N 2.91Å; I317-V327 HydrophobicContact CB-CG1 4.47Å; I317-V327 HydrophobicContact CG1-CG1 4.49Å; I317-V327 HydrophobicContact CG1-CG2 4.44Å; I317-V327 HydrophobicContact CG2-CG1 4.01Å; I317-V329 HydrophobicContact CD1-CG2 3.79Å; I317-V329 HydrophobicContact CG1-CG2 3.99Å; I317-V341 HydrophobicContact CD1-CG1 4.18Å; I317-Y345 HydrophobicContact CB-CD2 3.87Å; I317-Y345 HydrophobicContact CB-CE2 3.77Å; I317-Y345 HydrophobicContact CD1-CD2 3.96Å; I317-Y345 HydrophobicContact CD1-CG 4.06Å; I317-Y345 HydrophobicContact CG2-CD1 4.16Å; I317-Y345 HydrophobicContact CG2-CD2 3.65Å; I317-Y345 HydrophobicContact CG2-CE1 3.86Å; I317-Y345 HydrophobicContact CG2-CE2 3.33Å; I317-Y345 HydrophobicContact CG2-CG 4.06Å; I317-Y345 VanDerWaalsContact CG2-CZ 3.44Å
318D98.3Very high98.4Very high41 Ų4146.2 Ų46.222%0.21924%0.238CC..Hα-helixtrans-63.9-38.3178.9-95-8000112.4I314 S315 A320 R321 S322 Y345 K349I314-D318 WeakPolarHBondContact O-CB 3.18Å; I314-D318 PolarHBondContact O-N 2.79Å; S315-D318 PolarHBondContact O-N 3.18Å; D318-A320 PolarHBondContact O-N 3.35Å; D318-R321 PolarHBondContact O-N 2.87Å; D318-S322 VanDerWaalsContact O-CB 3.23Å; D318-S322 WeakPolarHBondContact O-CB 3.26Å; D318-S322 PolarHBondContact O-N 3.36Å; D318-S322 PolarHBondContact O-OG 2.98Å; D318-Y345 WeakPolarHBondContact OD1-CE2 3.5Å; D318-Y345 PolarHBondContact OD1-OH 2.99Å; D318-K349 VanDerWaalsContact CG-NZ 3.31Å; D318-K349 WeakPolarHBondContact OD1-CE 3.45Å; D318-K349 IonicContact OD1-NZ 3.9Å; D318-K349 PolarHBondContact OD1-NZ 3.31Å; D318-K349 IonicContact OD2-NZ 3.9Å; D318-K349 PolarHBondContact OD2-NZ 3.01Å
319E98.5Very high98.4Very high74 Ų7440.5 Ų40.535%0.34621%0.212SC..Hα-helixtrans-56.5-51.6175.4-169.1-163.5142.300110.9Y273 S315 F316 I317 S322 K323Y273-E319 HydrophobicContact CE1-CG 4.36Å; Y273-E319 WeakPolarHBondContact CE1-OE1 3.48Å; Y273-E319 PolarHBondContact OH-OE1 3.43Å; S315-E319 WeakPolarHBondContact O-CB 3.47Å; S315-E319 PolarHBondContact O-N 3.41Å; F316-E319 PolarHBondContact O-N 3.04Å; I317-E319 VanDerWaalsContact C-N 3.34Å; I317-E319 PolarHBondContact O-N 2.92Å; E319-S322 PolarHBondContact O-N 3.29Å; E319-S322 PolarHBondContact O-OG 2.8Å; E319-K323 WeakPolarHBondContact O-CG 3.41Å; E319-K323 PolarHBondContact O-N 3.47Å; E319-K323 IonicContact OE1-NZ 2.72Å; E319-K323 PolarHBondContact OE1-NZ 2.73Å
320A98.4Very high98.4Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-61-49.117900000111.9Y273 F316 I317 D318 S322 K323 K324 C325 V327Y273-A320 HydrophobicContact CD1-CB 3.76Å; Y273-A320 HydrophobicContact CD2-CB 3.7Å; Y273-A320 HydrophobicContact CE1-CB 4.33Å; Y273-A320 HydrophobicContact CE2-CB 4.28Å; Y273-A320 HydrophobicContact CG-CB 3.43Å; Y273-A320 VanDerWaalsContact CG-CB 3.43Å; F316-A320 PolarHBondContact O-N 3.16Å; I317-A320 PolarHBondContact O-N 2.85Å; D318-A320 PolarHBondContact O-N 3.35Å; A320-S322 PolarHBondContact O-N 3.43Å; A320-K323 PolarHBondContact O-N 3Å; A320-K324 PolarHBondContact O-N 3.48Å; A320-C325 CarbonylContact C-O 3.55Å; A320-C325 PolarHBondContact O-N 2.86Å; A320-V327 HydrophobicContact CB-CB 3.67Å; A320-V327 HydrophobicContact CB-CG1 4Å
321R98.2Very high98.3Very high56 Ų5638.4 Ų38.421%0.21120%0.202CC..Hα-helixtrans-66.7-35.5-176.9-66.6-175.774.7-142.8-5112.5P250 I317 D318 K323 K324 V327 Y345P250-R321 PolarHBondContact O-NE 3.11Å; P250-R321 PolarHBondContact O-NH2 3.44Å; I317-R321 HydrophobicContact CG2-CG 4.28Å; I317-R321 VanDerWaalsContact O-CG 3.29Å; I317-R321 WeakPolarHBondContact O-CG 3.34Å; I317-R321 PolarHBondContact O-N 2.91Å; D318-R321 PolarHBondContact O-N 2.87Å; R321-K323 PolarHBondContact O-N 3.49Å; R321-K324 PolarHBondContact O-N 2.89Å; R321-V327 HydrophobicContact CG-CG1 4.27Å; R321-Y345 WeakPolarHBondContact CD-OH 3.3Å; R321-Y345 PolarHBondContact NH1-OH 2.88Å
322S97.8Very high97.9Very high93 Ų9339.3 Ų39.365%0.6520%0.202SC*.Hα-helixtrans-62.4-32176.173.80000112.4D318 E319 A320 K324D318-S322 VanDerWaalsContact O-CB 3.23Å; D318-S322 WeakPolarHBondContact O-CB 3.26Å; D318-S322 PolarHBondContact O-N 3.36Å; D318-S322 PolarHBondContact O-OG 2.98Å; E319-S322 PolarHBondContact O-N 3.29Å; E319-S322 PolarHBondContact O-OG 2.8Å; A320-S322 PolarHBondContact O-N 3.43Å; S322-K324 VanDerWaalsContact C-N 3.26Å; S322-K324 PolarHBondContact O-N 2.77Å
323K97.7Very high97.4Very high121 Ų12138.7 Ų38.753%0.52621%0.208SC..THydrogen-bonded Turntrans-84.45.1174.8-63.8169.5-179.3173.50113.1Y273 E319 A320 R321 C325Y273-K323 PolarHBondContact OH-NZ 3.36Å; E319-K323 WeakPolarHBondContact O-CG 3.41Å; E319-K323 PolarHBondContact O-N 3.47Å; E319-K323 IonicContact OE1-NZ 2.72Å; E319-K323 PolarHBondContact OE1-NZ 2.73Å; A320-K323 PolarHBondContact O-N 3Å; R321-K323 PolarHBondContact O-N 3.49Å; K323-C325 HydrophobicContact CB-CB 4.37Å; K323-C325 PolarHBondContact O-N 3.34Å
324K97.8Very high97.1Very high155 Ų15538.7 Ų38.767%0.67421%0.208SC*.THydrogen-bonded Turntrans52.636.9-172.3-59.7179.2-177.3176.30112.1Y251 A320 R321 S322Y251-K324 WeakPolarHBondContact CD1-O 3.15Å; Y251-K324 HydrophobicContact CE1-CB 4.01Å; Y251-K324 WeakPolarHBondContact CE1-O 3.44Å; Y251-K324 HydrophobicContact CE2-CB 4.02Å; Y251-K324 HydrophobicContact CE2-CG 4.13Å; A320-K324 PolarHBondContact O-N 3.48Å; R321-K324 PolarHBondContact O-N 2.89Å; S322-K324 VanDerWaalsContact C-N 3.26Å; S322-K324 PolarHBondContact O-N 2.77Å
325C97.7Very high96.8Very high19 Ų1940.9 Ų40.913%0.12822%0.219CC..  trans-110.3137.5179-1710000109.8Y251 K272 Y273 A320 K323 V327Y251-C325 WeakPolarHBondContact CB-O 3.49Å; K272-C325 WeakPolarHBondContact CB-SG 3.41Å; Y273-C325 HydrophobicContact CD2-CB 4.44Å; A320-C325 CarbonylContact C-O 3.55Å; A320-C325 PolarHBondContact O-N 2.86Å; K323-C325 HydrophobicContact CB-CB 4.37Å; K323-C325 PolarHBondContact O-N 3.34Å; C325-V327 PolarHBondContact O-N 2.85Å
326G98.4Very high96.7Very high1 Ų137.4 Ų37.41%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-65.2133.4179.700000111.8Y251 G270 I271 K272 Y273Y251-G326 WeakPolarHBondContact O-CA 3.07Å; G270-G326 WeakPolarHBondContact O-CA 3.42Å; G270-G326 PolarHBondContact O-N 3.45Å; I271-G326 WeakPolarHBondContact CA-O 3.42Å; K272-G326 PolarHBondContact N-O 3.38Å; Y273-G326 PolarHBondContact N-O 3.11Å; Y273-G326 VanDerWaalsContact N-O 3.12Å
327V98.8Very high96.7Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-113.5130.8166.955.90000110.8Y251 L252 Y253 Y273 F316 I317 A320 R321 C325Y251-V327 WeakPolarHBondContact O-CG1 3.31Å; Y251-V327 PolarHBondContact O-N 3.13Å; L252-V327 HydrophobicContact CD1-CG1 3.9Å; Y253-V327 PolarHBondContact N-O 3.22Å; Y273-V327 CarbonylContact O-C 3.51Å; Y273-V327 VanDerWaalsContact O-CA 3.26Å; Y273-V327 WeakPolarHBondContact O-CA 3.49Å; F316-V327 HydrophobicContact CD1-CG2 4.36Å; F316-V327 HydrophobicContact CE1-CG2 4.16Å; I317-V327 HydrophobicContact CB-CG1 4.47Å; I317-V327 HydrophobicContact CG1-CG1 4.49Å; I317-V327 HydrophobicContact CG1-CG2 4.44Å; I317-V327 HydrophobicContact CG2-CG1 4.01Å; A320-V327 HydrophobicContact CB-CB 3.67Å; A320-V327 HydrophobicContact CB-CG1 4Å; R321-V327 HydrophobicContact CG-CG1 4.27Å; C325-V327 PolarHBondContact O-N 2.85Å
328L98.8Very high96.7Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-100.2117.5170175.663.6000109.6P245 Y253 D259 L266 I271 Y273 L275 H330P245-L328 HydrophobicContact CB-CD1 3.72Å; P245-L328 HydrophobicContact CG-CD1 4.21Å; Y253-L328 WeakPolarHBondContact O-CA 3.42Å; D259-L328 HydrophobicContact CB-CD2 4.25Å; L266-L328 HydrophobicContact CD2-CD2 3.91Å; I271-L328 HydrophobicContact CD1-CB 4.31Å; I271-L328 HydrophobicContact CG2-CB 3.79Å; Y273-L328 PolarHBondContact O-N 3.26Å; L275-L328 PolarHBondContact N-O 3.07Å; L328-H330 HydrophobicContact CD2-CB 4.48Å; L328-H330 HydrophobicContact CG-CB 4.24Å
329V98.9Very high96.7Very high0 Ų035.8 Ų35.80%019%0.186CC..EExtended strand (participates in β ladder)trans-94.8116.7167.2-172.10000107.8L252 Y253 G255 L275 V277 I317 V341L252-V329 HydrophobicContact CD1-CG2 3.8Å; Y253-V329 PolarHBondContact O-N 2.97Å; G255-V329 PolarHBondContact N-O 3.48Å; G255-V329 VanDerWaalsContact N-O 3.09Å; L275-V329 HydrophobicContact CB-CG1 4.48Å; L275-V329 HydrophobicContact CB-CG2 4.29Å; L275-V329 HydrophobicContact CD2-CG1 4.09Å; L275-V329 HydrophobicContact CD2-CG2 4.18Å; L275-V329 HydrophobicContact CG-CG1 4.42Å; V277-V329 HydrophobicContact CG2-CG1 4.16Å; I317-V329 HydrophobicContact CD1-CG2 3.79Å; I317-V329 HydrophobicContact CG1-CG2 3.99Å; V329-V341 HydrophobicContact CG1-CB 4.28Å; V329-V341 HydrophobicContact CG1-CG1 4.09Å
330H98.6Very high96.7Very high2 Ų232.2 Ų32.21%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-133.9157.7-178.784.492.1000112.8G255 S260 L275 N276 V277 L328 S338G255-H330 WeakPolarHBondContact O-CA 3.42Å; S260-H330 WeakPolarHBondContact CB-NE2 3.49Å; S260-H330 PolarHBondContact OG-CE1 3.09Å; L275-H330 PolarHBondContact O-N 2.89Å; N276-H330 WeakPolarHBondContact CB-NE2 3.42Å; V277-H330 PolarHBondContact N-O 3Å; L328-H330 HydrophobicContact CD2-CB 4.48Å; L328-H330 HydrophobicContact CG-CB 4.24Å; H330-S338 VanDerWaalsContact C-CB 3.49Å
331C96.5Very high96.7Very high0 Ų032.3 Ų32.30%017%0.17CC..  trans-130.4-151.7163.267.80000108.2C256 A257 T278 G334 R337 S338C256-C331 CarbonylContact C-O 3.31Å; A257-C331 PolarHBondContact N-O 3.42Å; T278-C331 HydrophobicContact CG2-CB 4.02Å; C331-G334 PolarHBondContact SG-N 3.15Å; C331-R337 HydrophobicContact CB-CB 3.87Å; C331-S338 PolarHBondContact SG-OG 3.4Å
332L90.3Very high96.8Very high102 Ų10229.6 Ų29.653%0.53416%0.16SC..SBendtrans-67.9-61.5176.2-178.661.1000111.9C256 A257 L281C256-L332 WeakPolarHBondContact CB-O 3.38Å; A257-L332 HydrophobicContact CB-CD1 4.16Å; A257-L332 PolarHBondContact N-O 3.27Å; L281-L332 HydrophobicContact CD1-CB 4.47Å; L281-L332 HydrophobicContact CD1-CD1 4.15Å; L281-L332 HydrophobicContact CD2-CD1 4.31Å
333A87.1Confident96.8Very high53 Ų5325.2 Ų25.244%0.43813%0.129SC..SBendtrans-96.9-14-174.500000114.1I335A333-I335 VanDerWaalsContact C-N 3.35Å; A333-I335 HydrophobicContact CB-CB 4.37Å; A333-I335 HydrophobicContact CB-CD1 3.95Å; A333-I335 HydrophobicContact CB-CG1 4.1Å
334G93Very high96.9Very high0 Ų019.4 Ų19.40%010%0.104CC..SBendtrans68.630.4-173.400000113.7G255 C331 S338 K365G255-G334 WeakPolarHBondContact O-CA 3.47Å; C331-G334 PolarHBondContact SG-N 3.15Å; G334-S338 WeakPolarHBondContact CA-OG 3.31Å; G334-K365 WeakPolarHBondContact O-CE 3.19Å
335I92.4Very high96.9Very high53 Ų5312 Ų1227%0.2727%0.071SC..SBendtrans-116-38.5-172-68.6173.8000112.8A333 V339 N367 S369A333-I335 VanDerWaalsContact C-N 3.35Å; A333-I335 HydrophobicContact CB-CB 4.37Å; A333-I335 HydrophobicContact CB-CD1 3.95Å; A333-I335 HydrophobicContact CB-CG1 4.1Å; I335-V339 WeakPolarHBondContact O-CG2 3.38Å; I335-N367 WeakPolarHBondContact CG2-O 3.07Å; I335-S369 CarbonylContact O-C 3.36Å; I335-S369 VanDerWaalsContact O-C 3.31Å; I335-S369 PolarHBondContact O-N 2.99Å
336S95.8Very high97Very high6 Ų611.1 Ų11.14%0.0427%0.065CC..SBendtrans-117.9-84.4-172.6169.90000112.3D300 S338 V339 T340 S369 N371 F374D300-S336 WeakPolarHBondContact OD1-CB 3.36Å; D300-S336 PolarHBondContact OD1-OG 3.15Å; D300-S336 WeakPolarHBondContact OD2-CB 3.12Å; S336-S338 PolarHBondContact O-N 3.21Å; S336-V339 CarbonylContact O-C 3.43Å; S336-V339 WeakPolarHBondContact O-CA 2.94Å; S336-V339 VanDerWaalsContact O-CB 3.28Å; S336-V339 WeakPolarHBondContact O-CB 3.47Å; S336-V339 PolarHBondContact O-N 3.21Å; S336-T340 PolarHBondContact O-N 2.99Å; S336-T340 PolarHBondContact O-OG1 3.33Å; S336-T340 VanDerWaalsContact O-OG1 3.08Å; S336-S369 WeakPolarHBondContact CB-O 3.22Å; S336-N371 PolarHBondContact OG-N 3.17Å; S336-F374 WeakPolarHBondContact OG-CD2 3.1Å
337R98.6Very high97Very high16 Ų1611.1 Ų11.16%0.067%0.065CC..Hα-helixtrans-48.3-53.4-175.8-70.4164.6-75.5176.5-4.8116.2V277 I298 D300 L306 C331 V339 T340 V341 F374V277-R337 HydrophobicContact CB-CB 4.24Å; V277-R337 HydrophobicContact CG1-CB 3.85Å; V277-R337 WeakPolarHBondContact O-CD 3.29Å; I298-R337 HydrophobicContact CG2-CG 4.43Å; I298-R337 WeakPolarHBondContact O-CD 3.36Å; I298-R337 PolarHBondContact O-NH1 2.75Å; I298-R337 VanDerWaalsContact O-NH1 3.08Å; D300-R337 HydrophobicContact CB-CG 4.32Å; D300-R337 VanDerWaalsContact CB-NE 3.33Å; D300-R337 IonicContact OD2-CZ 3.23Å; D300-R337 IonicContact OD2-NE 3.67Å; D300-R337 PolarHBondContact OD2-NE 2.98Å; D300-R337 IonicContact OD2-NH2 2.75Å; L306-R337 HydrophobicContact CD2-CB 4.45Å; C331-R337 HydrophobicContact CB-CB 3.87Å; R337-V339 VanDerWaalsContact C-N 3.28Å; R337-V339 PolarHBondContact O-N 3.04Å; R337-T340 WeakPolarHBondContact O-CB 3.43Å; R337-T340 PolarHBondContact O-N 3.32Å; R337-V341 PolarHBondContact O-N 3.34Å; R337-V341 VanDerWaalsContact O-N 3.14Å; R337-F374 HydrophobicContact CG-CD2 4.46Å; R337-F374 HydrophobicContact CG-CE2 3.58Å; R337-F374 HydrophobicContact CG-CZ 4.08Å
338S98.6Very high96.9Very high0 Ų015.1 Ų15.10%08%0.084CC..Hα-helixtrans-67.6-30.3179.854.60000112.7L254 H330 C331 G334 S336 T342L254-S338 WeakPolarHBondContact CD1-OG 3.21Å; H330-S338 VanDerWaalsContact C-CB 3.49Å; C331-S338 PolarHBondContact SG-OG 3.4Å; G334-S338 WeakPolarHBondContact CA-OG 3.31Å; S336-S338 PolarHBondContact O-N 3.21Å; S338-T342 WeakPolarHBondContact O-CB 3.31Å; S338-T342 PolarHBondContact O-N 2.79Å; S338-T342 VanDerWaalsContact O-N 3.08Å; S338-T342 PolarHBondContact O-OG1 3.11Å
339V98.8Very high96.9Very high0 Ų019.9 Ų19.90%010%0.104CC..Hα-helixtrans-66-48.3172174.50000109.7L254 I335 S336 R337 V341 T342 V343 V361 I368 P370L254-V339 HydrophobicContact CD1-CG2 4.29Å; L254-V339 HydrophobicContact CD2-CG2 3.88Å; I335-V339 WeakPolarHBondContact O-CG2 3.38Å; S336-V339 CarbonylContact O-C 3.43Å; S336-V339 WeakPolarHBondContact O-CA 2.94Å; S336-V339 VanDerWaalsContact O-CB 3.28Å; S336-V339 WeakPolarHBondContact O-CB 3.47Å; S336-V339 PolarHBondContact O-N 3.21Å; R337-V339 VanDerWaalsContact C-N 3.28Å; R337-V339 PolarHBondContact O-N 3.04Å; V339-V341 VanDerWaalsContact C-N 3.33Å; V339-V341 PolarHBondContact O-N 2.96Å; V339-T342 CarbonylContact O-C 3.46Å; V339-T342 WeakPolarHBondContact O-CA 3.4Å; V339-T342 WeakPolarHBondContact O-CB 3.37Å; V339-T342 PolarHBondContact O-N 2.89Å; V339-V343 HydrophobicContact CG1-CG2 4.06Å; V339-V343 WeakPolarHBondContact O-CG2 3.38Å; V339-V343 PolarHBondContact O-N 3.36Å; V339-V361 HydrophobicContact CG1-CG1 4.38Å; V339-I368 HydrophobicContact CB-CB 4.5Å; V339-I368 HydrophobicContact CB-CG2 4.37Å; V339-I368 HydrophobicContact CG1-CB 3.89Å; V339-I368 HydrophobicContact CG1-CD1 3.99Å; V339-I368 HydrophobicContact CG1-CG2 3.98Å; V339-I368 HydrophobicContact CG2-CB 3.9Å; V339-I368 HydrophobicContact CG2-CG2 3.44Å; V339-I368 VanDerWaalsContact CG2-CG2 3.44Å; V339-P370 HydrophobicContact CB-CG 4.29Å; V339-P370 HydrophobicContact CG1-CG 3.75Å
340T98.8Very high96.8Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-53.9-50.1179.1-51.30000111.3L306 F310 S336 R337 T342 V343 A344 F374 L378L306-T340 HydrophobicContact CD2-CG2 3.91Å; F310-T340 HydrophobicContact CE1-CG2 4.02Å; F310-T340 HydrophobicContact CZ-CG2 3.86Å; S336-T340 PolarHBondContact O-N 2.99Å; S336-T340 PolarHBondContact O-OG1 3.33Å; S336-T340 VanDerWaalsContact O-OG1 3.08Å; R337-T340 WeakPolarHBondContact O-CB 3.43Å; R337-T340 PolarHBondContact O-N 3.32Å; T340-T342 VanDerWaalsContact C-N 3.3Å; T340-T342 PolarHBondContact O-N 3.39Å; T340-V343 PolarHBondContact O-N 2.74Å; T340-A344 WeakPolarHBondContact O-CB 3.46Å; T340-A344 PolarHBondContact O-N 3.33Å; T340-F374 HydrophobicContact CG2-CB 3.76Å; T340-F374 HydrophobicContact CG2-CG 4.35Å; T340-F374 WeakPolarHBondContact OG1-CB 3.5Å; T340-L378 HydrophobicContact CG2-CD1 3.82Å; T340-L378 HydrophobicContact CG2-CD2 4.06Å; T340-L378 HydrophobicContact CG2-CG 3.8Å
341V98.9Very high96.7Very high1 Ų129.3 Ų29.31%0.00615%0.153CC..Hα-helixtrans-60.7-40.6176.9171.50000111.7L275 V277 L306 A313 I317 V329 R337 V339 Y345L275-V341 HydrophobicContact CD2-CG1 3.92Å; V277-V341 HydrophobicContact CG1-CG2 4.25Å; V277-V341 HydrophobicContact CG2-CG2 4.13Å; L306-V341 HydrophobicContact CD1-CG2 4.14Å; L306-V341 HydrophobicContact CD2-CG2 4.24Å; L306-V341 HydrophobicContact CG-CG2 4.36Å; A313-V341 HydrophobicContact CB-CG1 3.62Å; I317-V341 HydrophobicContact CD1-CG1 4.18Å; V329-V341 HydrophobicContact CG1-CB 4.28Å; V329-V341 HydrophobicContact CG1-CG1 4.09Å; R337-V341 PolarHBondContact O-N 3.34Å; R337-V341 VanDerWaalsContact O-N 3.14Å; V339-V341 VanDerWaalsContact C-N 3.33Å; V339-V341 PolarHBondContact O-N 2.96Å; V341-Y345 WeakPolarHBondContact O-CB 3.41Å; V341-Y345 PolarHBondContact O-N 2.99Å
342T98.9Very high96.6Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-65.6-41.9178.3-59.40000111.8I248 L252 S338 V339 T340 Y345 L346 V361I248-T342 HydrophobicContact CB-CG2 4.36Å; I248-T342 HydrophobicContact CG1-CG2 4.05Å; I248-T342 HydrophobicContact CG2-CG2 3.87Å; L252-T342 HydrophobicContact CD2-CG2 4.48Å; S338-T342 WeakPolarHBondContact O-CB 3.31Å; S338-T342 PolarHBondContact O-N 2.79Å; S338-T342 VanDerWaalsContact O-N 3.08Å; S338-T342 PolarHBondContact O-OG1 3.11Å; V339-T342 CarbonylContact O-C 3.46Å; V339-T342 WeakPolarHBondContact O-CA 3.4Å; V339-T342 WeakPolarHBondContact O-CB 3.37Å; V339-T342 PolarHBondContact O-N 2.89Å; T340-T342 VanDerWaalsContact C-N 3.3Å; T340-T342 PolarHBondContact O-N 3.39Å; T342-Y345 WeakPolarHBondContact O-CB 3.23Å; T342-Y345 PolarHBondContact O-N 3.33Å; T342-L346 WeakPolarHBondContact O-CG 3.47Å; T342-L346 PolarHBondContact O-N 3.21Å; T342-V361 HydrophobicContact CG2-CG2 4.09Å
343V98.8Very high96.9Very high0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-65-47.6177172.30000110.2V339 T340 Y345 L346 M347 L354 A357 V361 L378V339-V343 HydrophobicContact CG1-CG2 4.06Å; V339-V343 WeakPolarHBondContact O-CG2 3.38Å; V339-V343 PolarHBondContact O-N 3.36Å; T340-V343 PolarHBondContact O-N 2.74Å; V343-Y345 VanDerWaalsContact C-N 3.26Å; V343-Y345 PolarHBondContact O-N 3.26Å; V343-L346 PolarHBondContact O-N 3.13Å; V343-M347 HydrophobicContact CG1-CG 4.4Å; V343-M347 HydrophobicContact CG1-SD 3.9Å; V343-M347 WeakPolarHBondContact O-CG 3.33Å; V343-M347 PolarHBondContact O-N 2.93Å; V343-L354 HydrophobicContact CG1-CD1 3.71Å; V343-A357 HydrophobicContact CG1-CB 3.88Å; V343-V361 HydrophobicContact CG2-CB 4.5Å; V343-V361 HydrophobicContact CG2-CG2 3.98Å; V343-L378 HydrophobicContact CB-CD1 4.2Å; V343-L378 HydrophobicContact CB-CD2 4.41Å; V343-L378 HydrophobicContact CG1-CD1 3.94Å; V343-L378 HydrophobicContact CG1-CD2 4.16Å
344A98.8Very high97.4Very high0 Ų024.3 Ų24.30%012%0.12CC..Hα-helixtrans-55.8-42.3174.500000112F310 T340 L346 M347 Q348 L378 F381F310-A344 HydrophobicContact CD1-CB 3.85Å; F310-A344 HydrophobicContact CD2-CB 3.85Å; F310-A344 HydrophobicContact CE1-CB 3.91Å; F310-A344 HydrophobicContact CE2-CB 3.92Å; F310-A344 HydrophobicContact CG-CB 3.83Å; F310-A344 HydrophobicContact CZ-CB 3.95Å; T340-A344 WeakPolarHBondContact O-CB 3.46Å; T340-A344 PolarHBondContact O-N 3.33Å; A344-L346 PolarHBondContact O-N 2.94Å; A344-M347 PolarHBondContact O-N 3.39Å; A344-Q348 PolarHBondContact O-N 3.49Å; A344-L378 HydrophobicContact CB-CD2 3.8Å; A344-F381 HydrophobicContact CB-CD1 4.04Å; A344-F381 HydrophobicContact CB-CE1 3.86Å
345Y98.9Very high97.5Very high0 Ų028.3 Ų28.30%014%0.142CC..Hα-helixtrans-60.1-45.1175.1179-96000112.6L249 L252 I314 I317 D318 R321 V341 T342 V343 K349L249-Y345 HydrophobicContact CD1-CE1 4.26Å; L252-Y345 HydrophobicContact CD2-CD1 3.65Å; L252-Y345 HydrophobicContact CD2-CE1 3.84Å; I314-Y345 HydrophobicContact CB-CD2 4.16Å; I314-Y345 HydrophobicContact CG1-CD2 4.02Å; I314-Y345 HydrophobicContact CG2-CD2 3.87Å; I314-Y345 HydrophobicContact CG2-CE2 4.15Å; I317-Y345 HydrophobicContact CB-CD2 3.87Å; I317-Y345 HydrophobicContact CB-CE2 3.77Å; I317-Y345 HydrophobicContact CD1-CD2 3.96Å; I317-Y345 HydrophobicContact CD1-CG 4.06Å; I317-Y345 HydrophobicContact CG2-CD1 4.16Å; I317-Y345 HydrophobicContact CG2-CD2 3.65Å; I317-Y345 HydrophobicContact CG2-CE1 3.86Å; I317-Y345 HydrophobicContact CG2-CE2 3.33Å; I317-Y345 HydrophobicContact CG2-CG 4.06Å; I317-Y345 VanDerWaalsContact CG2-CZ 3.44Å; D318-Y345 WeakPolarHBondContact OD1-CE2 3.5Å; D318-Y345 PolarHBondContact OD1-OH 2.99Å; R321-Y345 WeakPolarHBondContact CD-OH 3.3Å; R321-Y345 PolarHBondContact NH1-OH 2.88Å; V341-Y345 WeakPolarHBondContact O-CB 3.41Å; V341-Y345 PolarHBondContact O-N 2.99Å; T342-Y345 WeakPolarHBondContact O-CB 3.23Å; T342-Y345 PolarHBondContact O-N 3.33Å; V343-Y345 VanDerWaalsContact C-N 3.26Å; V343-Y345 PolarHBondContact O-N 3.26Å; Y345-K349 HydrophobicContact CD1-CB 4.47Å; Y345-K349 HydrophobicContact CE1-CB 4.07Å; Y345-K349 HydrophobicContact CE1-CG 4.2Å; Y345-K349 HydrophobicContact CE2-CB 4.26Å; Y345-K349 HydrophobicContact CE2-CG 4.4Å; Y345-K349 WeakPolarHBondContact O-CB 3.5Å; Y345-K349 PolarHBondContact O-N 3.39Å
346L98.7Very high97.6Very high0 Ų029.6 Ų29.60%015%0.149CC..Hα-helixtrans-65.4-42.1178.4-67175.1000111.8I248 L249 T342 V343 A344 Q348 M350 L352 A357 F360 V361I248-L346 HydrophobicContact CG2-CD1 4.06Å; I248-L346 HydrophobicContact CG2-CD2 4.3Å; L249-L346 HydrophobicContact CD1-CD2 3.57Å; L249-L346 HydrophobicContact CG-CD2 4.05Å; T342-L346 WeakPolarHBondContact O-CG 3.47Å; T342-L346 PolarHBondContact O-N 3.21Å; V343-L346 PolarHBondContact O-N 3.13Å; A344-L346 PolarHBondContact O-N 2.94Å; L346-Q348 PolarHBondContact O-N 3.25Å; L346-M350 HydrophobicContact CD2-SD 3.67Å; L346-M350 WeakPolarHBondContact O-CA 3.45Å; L346-M350 WeakPolarHBondContact O-CB 3.2Å; L346-M350 PolarHBondContact O-N 3.49Å; L346-L352 HydrophobicContact CB-CD1 4.44Å; L346-A357 HydrophobicContact CB-CB 3.99Å; L346-F360 HydrophobicContact CD1-CB 4.5Å; L346-F360 HydrophobicContact CD1-CD1 3.64Å; L346-F360 HydrophobicContact CD1-CE1 4.27Å; L346-F360 HydrophobicContact CD1-CG 4.36Å; L346-F360 HydrophobicContact CD2-CE1 4.49Å; L346-V361 HydrophobicContact CD1-CG2 3.5Å; L346-V361 VanDerWaalsContact CD1-CG2 3.5Å
347M98.5Very high97.8Very high0 Ų029.3 Ų29.30%015%0.147CC..Hα-helixtrans-57.3-51.8176.6-65.8162.964.800111V343 A344 N351 L352 L354 A357 L378 F381 E382 L385 L387V343-M347 HydrophobicContact CG1-CG 4.4Å; V343-M347 HydrophobicContact CG1-SD 3.9Å; V343-M347 WeakPolarHBondContact O-CG 3.33Å; V343-M347 PolarHBondContact O-N 2.93Å; A344-M347 PolarHBondContact O-N 3.39Å; M347-N351 WeakPolarHBondContact O-CA 3.28Å; M347-N351 PolarHBondContact O-N 2.9Å; M347-L352 VanDerWaalsContact CA-O 3.31Å; M347-L352 WeakPolarHBondContact CA-O 3.33Å; M347-L352 WeakPolarHBondContact CB-O 3.43Å; M347-L352 WeakPolarHBondContact CG-O 3.37Å; M347-L352 PolarHBondContact O-N 3.42Å; M347-L354 HydrophobicContact CE-CB 4.17Å; M347-L354 HydrophobicContact SD-CB 4.33Å; M347-L354 HydrophobicContact SD-CD1 4.03Å; M347-A357 HydrophobicContact CG-CB 3.62Å; M347-L378 HydrophobicContact SD-CD2 4Å; M347-F381 HydrophobicContact CE-CD1 4.02Å; M347-F381 HydrophobicContact SD-CD1 4.38Å; M347-E382 HydrophobicContact CE-CB 3.48Å; M347-E382 VanDerWaalsContact CE-CB 3.48Å; M347-E382 HydrophobicContact CE-CG 4.02Å; M347-L385 HydrophobicContact CB-CD1 3.97Å; M347-L387 HydrophobicContact CB-CD1 4.35Å
348Q98.1Very high97.7Very high84 Ų8431 Ų3139%0.39315%0.154SC..Hα-helixtrans-71.2-41.2-178.3-174.9170.5-13.600112.8I314 A344 L346 F381 L385I314-Q348 HydrophobicContact CD1-CB 4.06Å; A344-Q348 PolarHBondContact O-N 3.49Å; L346-Q348 PolarHBondContact O-N 3.25Å; Q348-F381 HydrophobicContact CB-CE1 4.4Å; Q348-F381 HydrophobicContact CB-CZ 4.24Å; Q348-L385 HydrophobicContact CB-CD1 4.15Å; Q348-L385 HydrophobicContact CB-CD2 4.4Å; Q348-L385 HydrophobicContact CG-CD2 4.22Å
349K97.6Very high97.6Very high101 Ų10134.6 Ų34.644%0.43917%0.173SC..Hα-helixtrans-82.9-29.1-171.7-167.262171.3-167.60113.8D318 Y345D318-K349 VanDerWaalsContact CG-NZ 3.31Å; D318-K349 WeakPolarHBondContact OD1-CE 3.45Å; D318-K349 IonicContact OD1-NZ 3.9Å; D318-K349 PolarHBondContact OD1-NZ 3.31Å; D318-K349 IonicContact OD2-NZ 3.9Å; D318-K349 PolarHBondContact OD2-NZ 3.01Å; Y345-K349 HydrophobicContact CD1-CB 4.47Å; Y345-K349 HydrophobicContact CE1-CB 4.07Å; Y345-K349 HydrophobicContact CE1-CG 4.2Å; Y345-K349 HydrophobicContact CE2-CB 4.26Å; Y345-K349 HydrophobicContact CE2-CG 4.4Å; Y345-K349 WeakPolarHBondContact O-CB 3.5Å; Y345-K349 PolarHBondContact O-N 3.39Å
350M96.9Very high97.5Very high77 Ų7736.6 Ų36.638%0.37918%0.182SC..Hα-helixtrans-115.85.9-175.6-61.5178.158.600112.8L249 L346 L352L249-M350 HydrophobicContact CD1-SD 3.83Å; L249-M350 HydrophobicContact CD2-SD 4.04Å; L346-M350 HydrophobicContact CD2-SD 3.67Å; L346-M350 WeakPolarHBondContact O-CA 3.45Å; L346-M350 WeakPolarHBondContact O-CB 3.2Å; L346-M350 PolarHBondContact O-N 3.49Å; M350-L352 HydrophobicContact CB-CD1 4.11Å; M350-L352 HydrophobicContact CB-CG 3.84Å; M350-L352 HydrophobicContact CE-CD1 4.22Å; M350-L352 PolarHBondContact O-N 3.2Å; M350-L352 HydrophobicContact SD-CD1 4.46Å
351N96.3Very high97.5Very high123 Ų12336.6 Ų36.666%0.65818%0.182SC*.  trans52.839.2-177.7-61.693.4000112.3M347 L387M347-N351 WeakPolarHBondContact O-CA 3.28Å; M347-N351 PolarHBondContact O-N 2.9Å; N351-L387 HydrophobicContact CB-CD2 4.33Å
352L96.1Very high97.3Very high38 Ų3840 Ų4020%0.19920%0.196CC..  trans-90.2139.5178.9-66.6-179.3000110.4L346 M347 M350 D356 A357 L387L346-L352 HydrophobicContact CB-CD1 4.44Å; M347-L352 VanDerWaalsContact CA-O 3.31Å; M347-L352 WeakPolarHBondContact CA-O 3.33Å; M347-L352 WeakPolarHBondContact CB-O 3.43Å; M347-L352 WeakPolarHBondContact CG-O 3.37Å; M347-L352 PolarHBondContact O-N 3.42Å; M350-L352 HydrophobicContact CB-CD1 4.11Å; M350-L352 HydrophobicContact CB-CG 3.84Å; M350-L352 HydrophobicContact CE-CD1 4.22Å; M350-L352 PolarHBondContact O-N 3.2Å; M350-L352 HydrophobicContact SD-CD1 4.46Å; L352-D356 HydrophobicContact CB-CB 4.17Å; L352-D356 HydrophobicContact CD2-CB 4.22Å; L352-A357 HydrophobicContact CB-CB 4.03Å; L352-A357 HydrophobicContact CD1-CB 4.46Å; L352-L387 VanDerWaalsContact O-CD1 3.3Å; L352-L387 WeakPolarHBondContact O-CD1 2.99Å
353S96.5Very high97.1Very high8 Ų848.5 Ų48.56%0.05623%0.228CC..  trans-56.2159.8165.870.90000110.6N355 D356 A357 E382S353-N355 PolarHBondContact O-N 2.94Å; S353-D356 PolarHBondContact O-N 3.37Å; S353-D356 WeakPolarHBondContact OG-CB 3.45Å; S353-D356 PolarHBondContact OG-N 2.89Å; S353-D356 PolarHBondContact OG-OD2 2.94Å; S353-A357 VanDerWaalsContact O-CB 3.28Å; S353-A357 WeakPolarHBondContact O-CB 3.23Å; S353-A357 PolarHBondContact O-N 3.48Å; S353-E382 WeakPolarHBondContact CA-OE1 2.87Å; S353-E382 VanDerWaalsContact CB-OE1 3.24Å; S353-E382 WeakPolarHBondContact CB-OE1 3.31Å
354L96.9Very high96.9Very high4 Ų452.5 Ų52.52%0.02125%0.246CC..Hα-helixtrans-54.4-45.8173.9171.255000110.6V343 M347 A357 Y358 M375 L378 L379 E382V343-L354 HydrophobicContact CG1-CD1 3.71Å; M347-L354 HydrophobicContact CE-CB 4.17Å; M347-L354 HydrophobicContact SD-CB 4.33Å; M347-L354 HydrophobicContact SD-CD1 4.03Å; L354-A357 PolarHBondContact O-N 3.46Å; L354-Y358 WeakPolarHBondContact O-CB 3.3Å; L354-Y358 PolarHBondContact O-N 3.04Å; L354-M375 HydrophobicContact CD1-SD 4.13Å; L354-M375 HydrophobicContact CD2-SD 3.95Å; L354-M375 HydrophobicContact CG-SD 4.38Å; L354-L378 HydrophobicContact CD1-CB 3.66Å; L354-L378 HydrophobicContact CD1-CD1 3.89Å; L354-L378 HydrophobicContact CD1-CG 4.28Å; L354-L378 HydrophobicContact CD2-CB 4.04Å; L354-L378 HydrophobicContact CG-CB 4.48Å; L354-L379 HydrophobicContact CD2-CB 4.37Å; L354-L379 HydrophobicContact CD2-CD2 3.5Å; L354-L379 VanDerWaalsContact CD2-CD2 3.5Å; L354-L379 HydrophobicContact CD2-CG 3.56Å; L354-E382 HydrophobicContact CB-CG 4.49Å; L354-E382 WeakPolarHBondContact CB-OE2 3.19Å; L354-E382 PolarHBondContact N-OE1 3.45Å
355N94.1Very high96.6Very high84 Ų8453 Ų5345%0.44925%0.248SC..Hα-helixtrans-60.1-49.3179.6-69.3-41.1000111.3S353 A357 Y358 D359 S389S353-N355 PolarHBondContact O-N 2.94Å; N355-A357 PolarHBondContact O-N 2.84Å; N355-Y358 PolarHBondContact O-N 3.35Å; N355-D359 WeakPolarHBondContact O-CB 3.2Å; N355-D359 PolarHBondContact O-N 2.89Å; N355-S389 PolarHBondContact ND2-OG 3.36Å; N355-S389 VanDerWaalsContact ND2-OG 3.17Å
356D96Very high96.2Very high80 Ų8057.7 Ų57.743%0.42828%0.281SS..Hα-helixtrans-64.6-42.4-180-68.1-45.3000112.2L352 S353 F360L352-D356 HydrophobicContact CB-CB 4.17Å; L352-D356 HydrophobicContact CD2-CB 4.22Å; S353-D356 PolarHBondContact O-N 3.37Å; S353-D356 WeakPolarHBondContact OG-CB 3.45Å; S353-D356 PolarHBondContact OG-N 2.89Å; S353-D356 PolarHBondContact OG-OD2 2.94Å; D356-F360 VanDerWaalsContact O-CB 3.23Å; D356-F360 WeakPolarHBondContact O-CB 3.5Å; D356-F360 PolarHBondContact O-N 2.85Å
357A98.1Very high95.5Very high0 Ų061.5 Ų61.50%030%0.301CS..Hα-helixtrans-66.5-43.5178.500000111.6V343 L346 M347 L352 S353 L354 N355 F360 V361V343-A357 HydrophobicContact CG1-CB 3.88Å; L346-A357 HydrophobicContact CB-CB 3.99Å; M347-A357 HydrophobicContact CG-CB 3.62Å; L352-A357 HydrophobicContact CB-CB 4.03Å; L352-A357 HydrophobicContact CD1-CB 4.46Å; S353-A357 VanDerWaalsContact O-CB 3.28Å; S353-A357 WeakPolarHBondContact O-CB 3.23Å; S353-A357 PolarHBondContact O-N 3.48Å; L354-A357 PolarHBondContact O-N 3.46Å; N355-A357 PolarHBondContact O-N 2.84Å; A357-F360 WeakPolarHBondContact O-CB 3.37Å; A357-F360 PolarHBondContact O-N 3.32Å; A357-V361 WeakPolarHBondContact O-CG2 3.29Å; A357-V361 PolarHBondContact O-N 3.27Å
358Y97.3Very high95.2Very high52 Ų5261.6 Ų61.620%0.20430%0.302CS..Hα-helixtrans-61.9-49.4175.9-179.2-94.4000111.1L354 N355 F360 V361 K362 I368 P370 M375L354-Y358 WeakPolarHBondContact O-CB 3.3Å; L354-Y358 PolarHBondContact O-N 3.04Å; N355-Y358 PolarHBondContact O-N 3.35Å; Y358-F360 VanDerWaalsContact C-N 3.3Å; Y358-F360 PolarHBondContact O-N 3.4Å; Y358-V361 PolarHBondContact O-N 2.87Å; Y358-V361 VanDerWaalsContact O-N 3.14Å; Y358-K362 HydrophobicContact CE1-CB 4.46Å; Y358-K362 HydrophobicContact CE1-CD 4.45Å; Y358-K362 WeakPolarHBondContact O-CB 3.48Å; Y358-K362 PolarHBondContact O-N 3.31Å; Y358-I368 HydrophobicContact CD2-CD1 4Å; Y358-I368 HydrophobicContact CE1-CD1 4.45Å; Y358-I368 HydrophobicContact CE2-CD1 3.68Å; Y358-I368 HydrophobicContact CE2-CG1 4.18Å; Y358-P370 HydrophobicContact CE2-CG 4.1Å; Y358-M375 HydrophobicContact CD2-CE 3.83Å; Y358-M375 HydrophobicContact CE2-CE 3.76Å
359D96.4Very high94.7Very high74 Ų7461.1 Ų61.140%0.39631%0.307SS..Hα-helixtrans-65-35179.7-81-9.6000112.3N355 V361 K362 R363N355-D359 WeakPolarHBondContact O-CB 3.2Å; N355-D359 PolarHBondContact O-N 2.89Å; D359-V361 VanDerWaalsContact C-N 3.33Å; D359-V361 PolarHBondContact O-N 2.83Å; D359-K362 PolarHBondContact O-N 3.14Å; D359-R363 WeakPolarHBondContact O-CG 3.42Å; D359-R363 PolarHBondContact O-N 3.25Å
360F97.6Very high94.3Very high43 Ų4356.9 Ų56.919%0.18929%0.29CS..Hα-helixtrans-57.6-46.1172.5-176.2-83.1000111.6I248 L249 L346 D356 A357 Y358 K364I248-F360 HydrophobicContact CG2-CD1 4.26Å; I248-F360 HydrophobicContact CG2-CE1 3.85Å; I248-F360 VanDerWaalsContact O-CE1 3.32Å; I248-F360 WeakPolarHBondContact O-CE1 3.28Å; L249-F360 HydrophobicContact CD2-CE1 4.22Å; L249-F360 HydrophobicContact CD2-CZ 3.86Å; L346-F360 HydrophobicContact CD1-CB 4.5Å; L346-F360 HydrophobicContact CD1-CD1 3.64Å; L346-F360 HydrophobicContact CD1-CE1 4.27Å; L346-F360 HydrophobicContact CD1-CG 4.36Å; L346-F360 HydrophobicContact CD2-CE1 4.49Å; D356-F360 VanDerWaalsContact O-CB 3.23Å; D356-F360 WeakPolarHBondContact O-CB 3.5Å; D356-F360 PolarHBondContact O-N 2.85Å; A357-F360 WeakPolarHBondContact O-CB 3.37Å; A357-F360 PolarHBondContact O-N 3.32Å; Y358-F360 VanDerWaalsContact C-N 3.3Å; Y358-F360 PolarHBondContact O-N 3.4Å; F360-K364 HydrophobicContact CE1-CD 4.1Å
361V98Very high93.8Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-70.5-40.3176.3-175.20000110.6I248 L254 V339 T342 V343 L346 A357 Y358 D359 R363 K364 K365 I368I248-V361 HydrophobicContact CD1-CG1 4.06Å; I248-V361 HydrophobicContact CG2-CG2 4.45Å; L254-V361 HydrophobicContact CD2-CG1 3.84Å; V339-V361 HydrophobicContact CG1-CG1 4.38Å; T342-V361 HydrophobicContact CG2-CG2 4.09Å; V343-V361 HydrophobicContact CG2-CB 4.5Å; V343-V361 HydrophobicContact CG2-CG2 3.98Å; L346-V361 HydrophobicContact CD1-CG2 3.5Å; L346-V361 VanDerWaalsContact CD1-CG2 3.5Å; A357-V361 WeakPolarHBondContact O-CG2 3.29Å; A357-V361 PolarHBondContact O-N 3.27Å; Y358-V361 PolarHBondContact O-N 2.87Å; Y358-V361 VanDerWaalsContact O-N 3.14Å; D359-V361 VanDerWaalsContact C-N 3.33Å; D359-V361 PolarHBondContact O-N 2.83Å; V361-R363 PolarHBondContact O-N 2.53Å; V361-K364 CarbonylContact O-C 3.41Å; V361-K364 PolarHBondContact O-N 3Å; V361-K364 VanDerWaalsContact O-N 3.08Å; V361-K365 PolarHBondContact O-N 3.33Å; V361-I368 HydrophobicContact CB-CD1 3.92Å; V361-I368 HydrophobicContact CG1-CD1 3.89Å; V361-I368 HydrophobicContact CG1-CG2 3.92Å
362K94.3Very high92.8Very high71 Ų7156.3 Ų56.331%0.30928%0.282SS..Hα-helixtrans-60-42.6-178.9-169.565.4165.1-174.30112.7Y358 D359 K364 K365 S366 I368Y358-K362 HydrophobicContact CE1-CB 4.46Å; Y358-K362 HydrophobicContact CE1-CD 4.45Å; Y358-K362 WeakPolarHBondContact O-CB 3.48Å; Y358-K362 PolarHBondContact O-N 3.31Å; D359-K362 PolarHBondContact O-N 3.14Å; K362-K364 PolarHBondContact O-N 3.03Å; K362-K365 CarbonylContact O-C 3.58Å; K362-K365 PolarHBondContact O-N 3.11Å; K362-S366 WeakPolarHBondContact CE-O 3.44Å; K362-S366 PolarHBondContact NZ-O 3.39Å; K362-S366 WeakPolarHBondContact O-CA 3.41Å; K362-S366 PolarHBondContact O-N 3.21Å; K362-I368 HydrophobicContact CB-CD1 3.91Å; K362-I368 HydrophobicContact CB-CG1 4.29Å; K362-I368 HydrophobicContact CD-CD1 4.03Å; K362-I368 HydrophobicContact CD-CG1 3.46Å; K362-I368 VanDerWaalsContact CD-CG1 3.46Å; K362-I368 PolarHBondContact NZ-O 3.32Å
363R95.3Very high92.3Very high179 Ų17956.1 Ų56.168%0.67528%0.281SS*.Hα-helixtrans-61.8-30.4176.4-75.3-172.7-64.6-91.31.5112.7D359 V361D359-R363 WeakPolarHBondContact O-CG 3.42Å; D359-R363 PolarHBondContact O-N 3.25Å; V361-R363 PolarHBondContact O-N 2.53Å
364K95.5Very high92.2Very high84 Ų8455.8 Ų55.837%0.36528%0.279SS..Hα-helixtrans-87.9-30.1177.5-66.1-172.5164.6-1510113V246 Q247 I248 F360 V361 K362V246-K364 HydrophobicContact CG1-CB 3.95Å; Q247-K364 WeakPolarHBondContact O-CD 3.22Å; Q247-K364 PolarHBondContact O-NZ 3.2Å; I248-K364 HydrophobicContact CD1-CB 4.27Å; I248-K364 HydrophobicContact CD1-CD 4.24Å; I248-K364 PolarHBondContact O-NZ 2.9Å; F360-K364 HydrophobicContact CE1-CD 4.1Å; V361-K364 CarbonylContact O-C 3.41Å; V361-K364 PolarHBondContact O-N 3Å; V361-K364 VanDerWaalsContact O-N 3.08Å; K362-K364 PolarHBondContact O-N 3.03Å
365K90.9Very high92.1Very high11 Ų1158 Ų585%0.04829%0.29CS..  trans-141.896.7-179-177.2170166.158.70110.1F244 V246 L254 G334 V361 K362 N367 I368F244-K365 HydrophobicContact CE1-CD 4.49Å; V246-K365 HydrophobicContact CG2-CB 4.4Å; V246-K365 HydrophobicContact CG2-CD 4.26Å; L254-K365 HydrophobicContact CD2-CD 3.84Å; L254-K365 HydrophobicContact CG-CD 4.37Å; G334-K365 WeakPolarHBondContact O-CE 3.19Å; V361-K365 PolarHBondContact O-N 3.33Å; K362-K365 CarbonylContact O-C 3.58Å; K362-K365 PolarHBondContact O-N 3.11Å; K365-N367 VanDerWaalsContact C-N 3.25Å; K365-N367 WeakPolarHBondContact CE-OD1 3.36Å; K365-N367 VanDerWaalsContact CG-OD1 3.25Å; K365-N367 WeakPolarHBondContact CG-OD1 3.49Å; K365-N367 PolarHBondContact NZ-OD1 2.8Å; K365-N367 PolarHBondContact O-N 3.23Å; K365-I368 HydrophobicContact CB-CG2 3.97Å; K365-I368 HydrophobicContact CD-CG2 3.92Å; K365-I368 HydrophobicContact CG-CG2 3.78Å; K365-I368 WeakPolarHBondContact O-CG2 3.29Å; K365-I368 PolarHBondContact O-N 3.48Å
366S90.2Very high91.5Very high99 Ų9955.3 Ų55.369%0.69228%0.282SS*.THydrogen-bonded Turntrans-66.7-21.7-172.359.70000114.6K362K362-S366 WeakPolarHBondContact CE-O 3.44Å; K362-S366 PolarHBondContact NZ-O 3.39Å; K362-S366 WeakPolarHBondContact O-CA 3.41Å; K362-S366 PolarHBondContact O-N 3.21Å
367N85Confident91.5Very high80 Ų8052.3 Ų52.343%0.42827%0.265SS..THydrogen-bonded Turntrans-93.514.3-178.476.4-29.4000114.5I335 K365I335-N367 WeakPolarHBondContact CG2-O 3.07Å; K365-N367 VanDerWaalsContact C-N 3.25Å; K365-N367 WeakPolarHBondContact CE-OD1 3.36Å; K365-N367 VanDerWaalsContact CG-OD1 3.25Å; K365-N367 WeakPolarHBondContact CG-OD1 3.49Å; K365-N367 PolarHBondContact NZ-OD1 2.8Å; K365-N367 PolarHBondContact O-N 3.23Å
368I92.3Very high91.4Very high1 Ų152.3 Ų52.31%0.00527%0.265CS..  trans-64.1142.7171.166.8169.2000111.2V339 Y358 V361 K362 K365V339-I368 HydrophobicContact CB-CB 4.5Å; V339-I368 HydrophobicContact CB-CG2 4.37Å; V339-I368 HydrophobicContact CG1-CB 3.89Å; V339-I368 HydrophobicContact CG1-CD1 3.99Å; V339-I368 HydrophobicContact CG1-CG2 3.98Å; V339-I368 HydrophobicContact CG2-CB 3.9Å; V339-I368 HydrophobicContact CG2-CG2 3.44Å; V339-I368 VanDerWaalsContact CG2-CG2 3.44Å; Y358-I368 HydrophobicContact CD2-CD1 4Å; Y358-I368 HydrophobicContact CE1-CD1 4.45Å; Y358-I368 HydrophobicContact CE2-CD1 3.68Å; Y358-I368 HydrophobicContact CE2-CG1 4.18Å; V361-I368 HydrophobicContact CB-CD1 3.92Å; V361-I368 HydrophobicContact CG1-CD1 3.89Å; V361-I368 HydrophobicContact CG1-CG2 3.92Å; K362-I368 HydrophobicContact CB-CD1 3.91Å; K362-I368 HydrophobicContact CB-CG1 4.29Å; K362-I368 HydrophobicContact CD-CD1 4.03Å; K362-I368 HydrophobicContact CD-CG1 3.46Å; K362-I368 VanDerWaalsContact CD-CG1 3.46Å; K362-I368 PolarHBondContact NZ-O 3.32Å; K365-I368 HydrophobicContact CB-CG2 3.97Å; K365-I368 HydrophobicContact CD-CG2 3.92Å; K365-I368 HydrophobicContact CG-CG2 3.78Å; K365-I368 WeakPolarHBondContact O-CG2 3.29Å; K365-I368 PolarHBondContact O-N 3.48Å
369S87.1Confident91.2Very high74 Ų7454 Ų5452%0.51728%0.277SS..  trans-16477.3179-1730000109.6I335 S336I335-S369 CarbonylContact O-C 3.36Å; I335-S369 VanDerWaalsContact O-C 3.31Å; I335-S369 PolarHBondContact O-N 2.99Å; S336-S369 WeakPolarHBondContact CB-O 3.22Å
370P89.1Confident90.9Very high12 Ų1254.3 Ų54.38%0.07828%0.279CS..  trans-49.7141.8165.8-2435.4000111.4V339 Y358 M375V339-P370 HydrophobicContact CB-CG 4.29Å; V339-P370 HydrophobicContact CG1-CG 3.75Å; Y358-P370 HydrophobicContact CE2-CG 4.1Å; P370-M375 HydrophobicContact CB-CE 4.21Å; P370-M375 HydrophobicContact CG-CE 4.12Å
371N85.8Confident90.9Very high40 Ų4053.4 Ų53.421%0.21428%0.275CS..  trans-61151.2170.8-171.414000110.6S336 N373 F374 M375S336-N371 PolarHBondContact OG-N 3.17Å; N371-N373 VanDerWaalsContact C-N 3.26Å; N371-N373 PolarHBondContact O-N 3.5Å; N371-F374 HydrophobicContact CB-CD2 4.04Å; N371-F374 HydrophobicContact CB-CE2 4.49Å; N371-F374 WeakPolarHBondContact O-CB 3.22Å; N371-F374 PolarHBondContact O-N 3.37Å; N371-M375 PolarHBondContact O-N 3.31Å
372F75.5Confident90.8Very high148 Ų14854 Ų5465%0.64928%0.278SS*.Hα-helixtrans-55.5-39.8-176.272.9-93.2000112.5W302 F374 M375 G376W302-F372 HydrophobicContact CB-CE1 3.93Å; W302-F372 HydrophobicContact CB-CE2 4.4Å; W302-F372 HydrophobicContact CB-CZ 3.54Å; W302-F372 HydrophobicContact CG-CZ 4.37Å; F372-F374 VanDerWaalsContact C-N 3.34Å; F372-F374 PolarHBondContact O-N 2.71Å; F372-M375 WeakPolarHBondContact O-CB 3.33Å; F372-M375 PolarHBondContact O-N 3.13Å; F372-M375 VanDerWaalsContact O-N 3.16Å; F372-G376 PolarHBondContact O-N 3.39Å
373N85.5Confident90.7Very high35 Ų3559.1 Ų59.119%0.18730%0.295CS..Hα-helixtrans-61.9-42.2176.7169.152.7000111.7W302 Q304 N371 M375 G376 Q377W302-N373 HydrophobicContact CB-CB 4.21Å; W302-N373 PolarHBondContact O-ND2 3.08Å; W302-N373 PolarHBondContact O-OD1 3.13Å; Q304-N373 PolarHBondContact O-ND2 3.23Å; N371-N373 VanDerWaalsContact C-N 3.26Å; N371-N373 PolarHBondContact O-N 3.5Å; N373-M375 VanDerWaalsContact C-N 3.31Å; N373-M375 PolarHBondContact O-N 3.03Å; N373-G376 PolarHBondContact O-N 2.78Å; N373-Q377 VanDerWaalsContact CG-NE2 3.34Å; N373-Q377 PolarHBondContact ND2-NE2 3.28Å; N373-Q377 WeakPolarHBondContact O-CG 3.34Å; N373-Q377 PolarHBondContact O-N 3.17Å; N373-Q377 PolarHBondContact OD1-NE2 3.22Å; N373-Q377 VanDerWaalsContact OD1-NE2 3.09Å
374F95.6Very high90.8Very high0 Ų055.8 Ų55.80%030%0.295CS..Hα-helixtrans-69.5-30.6175.7-64-29.7000112.5I298 D300 Q304 L306 S336 R337 T340 N371 F372 Q377 L378I298-F374 HydrophobicContact CG2-CE1 4.35Å; I298-F374 HydrophobicContact CG2-CZ 3.89Å; D300-F374 WeakPolarHBondContact OD1-CE2 3.42Å; Q304-F374 HydrophobicContact CB-CE1 4.11Å; Q304-F374 HydrophobicContact CB-CZ 4.22Å; L306-F374 HydrophobicContact CB-CD1 3.77Å; L306-F374 HydrophobicContact CB-CE1 3.56Å; L306-F374 HydrophobicContact CB-CZ 4.3Å; L306-F374 HydrophobicContact CD2-CD1 4.15Å; L306-F374 HydrophobicContact CD2-CD2 4.38Å; L306-F374 HydrophobicContact CD2-CE1 4.13Å; L306-F374 HydrophobicContact CD2-CE2 4.36Å; L306-F374 HydrophobicContact CD2-CG 4.29Å; L306-F374 HydrophobicContact CD2-CZ 4.24Å; S336-F374 WeakPolarHBondContact OG-CD2 3.1Å; R337-F374 HydrophobicContact CG-CD2 4.46Å; R337-F374 HydrophobicContact CG-CE2 3.58Å; R337-F374 HydrophobicContact CG-CZ 4.08Å; T340-F374 HydrophobicContact CG2-CB 3.76Å; T340-F374 HydrophobicContact CG2-CG 4.35Å; T340-F374 WeakPolarHBondContact OG1-CB 3.5Å; N371-F374 HydrophobicContact CB-CD2 4.04Å; N371-F374 HydrophobicContact CB-CE2 4.49Å; N371-F374 WeakPolarHBondContact O-CB 3.22Å; N371-F374 PolarHBondContact O-N 3.37Å; F372-F374 VanDerWaalsContact C-N 3.34Å; F372-F374 PolarHBondContact O-N 2.71Å; F374-Q377 PolarHBondContact O-N 3.14Å; F374-L378 WeakPolarHBondContact O-CG 3.26Å; F374-L378 PolarHBondContact O-N 3.39Å
375M95.3Very high90.7Very high50 Ų5054.4 Ų54.425%0.24629%0.291CS..Hα-helixtrans-65.2-42.8170.4-166.560.569.400111.4L354 Y358 P370 N371 F372 N373 Q377 L378 L379L354-M375 HydrophobicContact CD1-SD 4.13Å; L354-M375 HydrophobicContact CD2-SD 3.95Å; L354-M375 HydrophobicContact CG-SD 4.38Å; Y358-M375 HydrophobicContact CD2-CE 3.83Å; Y358-M375 HydrophobicContact CE2-CE 3.76Å; P370-M375 HydrophobicContact CB-CE 4.21Å; P370-M375 HydrophobicContact CG-CE 4.12Å; N371-M375 PolarHBondContact O-N 3.31Å; F372-M375 WeakPolarHBondContact O-CB 3.33Å; F372-M375 PolarHBondContact O-N 3.13Å; F372-M375 VanDerWaalsContact O-N 3.16Å; N373-M375 VanDerWaalsContact C-N 3.31Å; N373-M375 PolarHBondContact O-N 3.03Å; M375-Q377 VanDerWaalsContact C-N 3.35Å; M375-Q377 PolarHBondContact O-N 3.27Å; M375-L378 WeakPolarHBondContact O-CB 3.49Å; M375-L378 PolarHBondContact O-N 2.85Å; M375-L378 HydrophobicContact SD-CD1 4.37Å; M375-L379 PolarHBondContact O-N 3.27Å
376G81.7Confident90.7Very high28 Ų2857.1 Ų57.129%0.28932%0.323SS..Hα-helixtrans-58.6-44.4172.500000112.7F372 N373 L378 L379 D380F372-G376 PolarHBondContact O-N 3.39Å; N373-G376 PolarHBondContact O-N 2.78Å; G376-L378 VanDerWaalsContact C-N 3.29Å; G376-L378 PolarHBondContact O-N 2.88Å; G376-L379 WeakPolarHBondContact O-CB 3.29Å; G376-L379 PolarHBondContact O-N 3Å; G376-L379 VanDerWaalsContact O-N 3.16Å; G376-D380 PolarHBondContact O-N 2.9Å
377Q94.4Very high90.6Very high17 Ų1754 Ų548%0.07930%0.298CS..Hα-helixtrans-63.7-32.7175.5-74.7172.834.200113.5Q304 N373 F374 M375 F381Q304-Q377 PolarHBondContact O-NE2 3.05Å; N373-Q377 VanDerWaalsContact CG-NE2 3.34Å; N373-Q377 PolarHBondContact ND2-NE2 3.28Å; N373-Q377 WeakPolarHBondContact O-CG 3.34Å; N373-Q377 PolarHBondContact O-N 3.17Å; N373-Q377 PolarHBondContact OD1-NE2 3.22Å; N373-Q377 VanDerWaalsContact OD1-NE2 3.09Å; F374-Q377 PolarHBondContact O-N 3.14Å; M375-Q377 VanDerWaalsContact C-N 3.35Å; M375-Q377 PolarHBondContact O-N 3.27Å; Q377-F381 VanDerWaalsContact O-CB 3.3Å; Q377-F381 WeakPolarHBondContact O-CB 3.49Å; Q377-F381 PolarHBondContact O-N 3.07Å
378L97Very high90.1Very high0 Ų054.6 Ų54.60%031%0.308CS..Hα-helixtrans-70.8-38.2173-74.5169.3000111.9F310 T340 V343 A344 M347 L354 F374 M375 G376 F381 E382F310-L378 HydrophobicContact CE2-CD2 4.12Å; F310-L378 HydrophobicContact CZ-CD2 3.91Å; F310-L378 HydrophobicContact CZ-CG 4.47Å; T340-L378 HydrophobicContact CG2-CD1 3.82Å; T340-L378 HydrophobicContact CG2-CD2 4.06Å; T340-L378 HydrophobicContact CG2-CG 3.8Å; V343-L378 HydrophobicContact CB-CD1 4.2Å; V343-L378 HydrophobicContact CB-CD2 4.41Å; V343-L378 HydrophobicContact CG1-CD1 3.94Å; V343-L378 HydrophobicContact CG1-CD2 4.16Å; A344-L378 HydrophobicContact CB-CD2 3.8Å; M347-L378 HydrophobicContact SD-CD2 4Å; L354-L378 HydrophobicContact CD1-CB 3.66Å; L354-L378 HydrophobicContact CD1-CD1 3.89Å; L354-L378 HydrophobicContact CD1-CG 4.28Å; L354-L378 HydrophobicContact CD2-CB 4.04Å; L354-L378 HydrophobicContact CG-CB 4.48Å; F374-L378 WeakPolarHBondContact O-CG 3.26Å; F374-L378 PolarHBondContact O-N 3.39Å; M375-L378 WeakPolarHBondContact O-CB 3.49Å; M375-L378 PolarHBondContact O-N 2.85Å; M375-L378 HydrophobicContact SD-CD1 4.37Å; G376-L378 VanDerWaalsContact C-N 3.29Å; G376-L378 PolarHBondContact O-N 2.88Å; L378-F381 PolarHBondContact O-N 3.18Å; L378-E382 PolarHBondContact O-N 3.15Å
379L92.4Very high88.7Confident87 Ų8754.8 Ų54.846%0.45531%0.31SS..Hα-helixtrans-61.4-44.9173.3-74.4164.3000111.3L354 M375 G376 F381 E382 R383L354-L379 HydrophobicContact CD2-CB 4.37Å; L354-L379 HydrophobicContact CD2-CD2 3.5Å; L354-L379 VanDerWaalsContact CD2-CD2 3.5Å; L354-L379 HydrophobicContact CD2-CG 3.56Å; M375-L379 PolarHBondContact O-N 3.27Å; G376-L379 WeakPolarHBondContact O-CB 3.29Å; G376-L379 PolarHBondContact O-N 3Å; G376-L379 VanDerWaalsContact O-N 3.16Å; L379-F381 VanDerWaalsContact C-N 3.32Å; L379-F381 PolarHBondContact O-N 2.95Å; L379-E382 WeakPolarHBondContact O-CB 3.48Å; L379-E382 PolarHBondContact O-N 3.22Å; L379-R383 PolarHBondContact O-N 3.27Å
380D89.9Confident87.2Confident82 Ų8257.5 Ų57.544%0.43933%0.325SS..Hα-helixtrans-63.9-40.2175-72.9-33.8000111.3G376 R383 T384G376-D380 PolarHBondContact O-N 2.9Å; D380-R383 WeakPolarHBondContact O-CB 3.37Å; D380-R383 PolarHBondContact O-N 3.01Å; D380-R383 IonicContact OD1-CZ 3.11Å; D380-R383 IonicContact OD1-NH1 2.77Å; D380-R383 PolarHBondContact OD1-NH1 2.85Å; D380-R383 IonicContact OD1-NH2 3.26Å; D380-T384 WeakPolarHBondContact O-CG2 3.42Å; D380-T384 PolarHBondContact O-N 2.88Å
381F97.4Very high85.4Confident24 Ų2461.2 Ų61.211%0.10535%0.351CS..Hα-helixtrans-63.5-40.8176.1-174.3-121.4000112.6F310 I314 A344 M347 Q348 Q377 L378 L379 R383 T384 L385F310-F381 HydrophobicContact CB-CE2 4.43Å; F310-F381 HydrophobicContact CB-CZ 4.41Å; F310-F381 HydrophobicContact CD2-CB 4.12Å; F310-F381 AromaticContact CD2-CD1 3.85Å; F310-F381 HydrophobicContact CD2-CD1 3.85Å; F310-F381 AromaticContact CD2-CD2 3.8Å; F310-F381 HydrophobicContact CD2-CD2 3.8Å; F310-F381 HydrophobicContact CD2-CE1 4.15Å; F310-F381 HydrophobicContact CD2-CE2 4.12Å; F310-F381 AromaticContact CD2-CG 3.65Å; F310-F381 HydrophobicContact CD2-CG 3.65Å; F310-F381 HydrophobicContact CD2-CZ 4.28Å; F310-F381 HydrophobicContact CE2-CB 3.9Å; F310-F381 HydrophobicContact CE2-CD1 4.09Å; F310-F381 HydrophobicContact CE2-CD2 4.44Å; F310-F381 AromaticContact CE2-CG 3.9Å; F310-F381 HydrophobicContact CE2-CG 3.9Å; I314-F381 HydrophobicContact CD1-CE1 4.46Å; I314-F381 HydrophobicContact CD1-CZ 4.1Å; A344-F381 HydrophobicContact CB-CD1 4.04Å; A344-F381 HydrophobicContact CB-CE1 3.86Å; M347-F381 HydrophobicContact CE-CD1 4.02Å; M347-F381 HydrophobicContact SD-CD1 4.38Å; Q348-F381 HydrophobicContact CB-CE1 4.4Å; Q348-F381 HydrophobicContact CB-CZ 4.24Å; Q377-F381 VanDerWaalsContact O-CB 3.3Å; Q377-F381 WeakPolarHBondContact O-CB 3.49Å; Q377-F381 PolarHBondContact O-N 3.07Å; L378-F381 PolarHBondContact O-N 3.18Å; L379-F381 VanDerWaalsContact C-N 3.32Å; L379-F381 PolarHBondContact O-N 2.95Å; F381-R383 VanDerWaalsContact C-N 3.28Å; F381-R383 PolarHBondContact O-N 3.03Å; F381-T384 WeakPolarHBondContact CD2-OG1 3.5Å; F381-T384 PolarHBondContact O-N 3.21Å; F381-T384 VanDerWaalsContact O-N 3.09Å; F381-T384 PolarHBondContact O-OG1 2.83Å; F381-L385 HydrophobicContact CD1-CD1 3.99Å; F381-L385 HydrophobicContact CE1-CD1 3.58Å; F381-L385 HydrophobicContact CE1-CG 4.24Å; F381-L385 HydrophobicContact CE2-CD1 4.48Å; F381-L385 HydrophobicContact CE2-CD2 4.25Å; F381-L385 HydrophobicContact CE2-CG 4.28Å; F381-L385 HydrophobicContact CZ-CD1 3.87Å; F381-L385 HydrophobicContact CZ-CD2 4.07Å; F381-L385 HydrophobicContact CZ-CG 4.11Å; F381-L385 WeakPolarHBondContact O-CG 3.3Å; F381-L385 PolarHBondContact O-N 3.34Å
382E96.8Very high83.7Confident13 Ų1363.9 Ų63.96%0.06137%0.365CS..Hα-helixtrans-54.7-45.9172.9-168.8176.2-148.200111.4M347 S353 L354 L378 L379 T384 L385 G386 L387M347-E382 HydrophobicContact CE-CB 3.48Å; M347-E382 VanDerWaalsContact CE-CB 3.48Å; M347-E382 HydrophobicContact CE-CG 4.02Å; S353-E382 WeakPolarHBondContact CA-OE1 2.87Å; S353-E382 VanDerWaalsContact CB-OE1 3.24Å; S353-E382 WeakPolarHBondContact CB-OE1 3.31Å; L354-E382 HydrophobicContact CB-CG 4.49Å; L354-E382 WeakPolarHBondContact CB-OE2 3.19Å; L354-E382 PolarHBondContact N-OE1 3.45Å; L378-E382 PolarHBondContact O-N 3.15Å; L379-E382 WeakPolarHBondContact O-CB 3.48Å; L379-E382 PolarHBondContact O-N 3.22Å; E382-T384 VanDerWaalsContact C-N 3.34Å; E382-T384 PolarHBondContact O-N 3.37Å; E382-L385 PolarHBondContact O-N 3.16Å; E382-L385 VanDerWaalsContact O-N 3.14Å; E382-G386 PolarHBondContact O-N 3.02Å; E382-L387 HydrophobicContact CG-CB 3.83Å; E382-L387 PolarHBondContact O-N 3.25Å
383R92.9Very high82Confident178 Ų17864.6 Ų64.667%0.67238%0.376SS*.Hα-helixtrans-60.2-42.4175.8-166.1-172.3-60.7123.55.8111.7L379 D380 F381 L385 G386L379-R383 PolarHBondContact O-N 3.27Å; D380-R383 WeakPolarHBondContact O-CB 3.37Å; D380-R383 PolarHBondContact O-N 3.01Å; D380-R383 IonicContact OD1-CZ 3.11Å; D380-R383 IonicContact OD1-NH1 2.77Å; D380-R383 PolarHBondContact OD1-NH1 2.85Å; D380-R383 IonicContact OD1-NH2 3.26Å; F381-R383 VanDerWaalsContact C-N 3.28Å; F381-R383 PolarHBondContact O-N 3.03Å; R383-L385 VanDerWaalsContact C-N 3.26Å; R383-L385 PolarHBondContact O-N 3.38Å; R383-G386 PolarHBondContact O-N 3.24Å; R383-G386 VanDerWaalsContact O-N 3.14Å
384T96Very high80.1Confident109 Ų10971.3 Ų71.367%0.66941%0.405SS*.Hα-helixtrans-66-28.1177.466.70000113.5D380 F381 E382 G386D380-T384 WeakPolarHBondContact O-CG2 3.42Å; D380-T384 PolarHBondContact O-N 2.88Å; F381-T384 WeakPolarHBondContact CD2-OG1 3.5Å; F381-T384 PolarHBondContact O-N 3.21Å; F381-T384 VanDerWaalsContact O-N 3.09Å; F381-T384 PolarHBondContact O-OG1 2.83Å; E382-T384 VanDerWaalsContact C-N 3.34Å; E382-T384 PolarHBondContact O-N 3.37Å; T384-G386 VanDerWaalsContact C-N 3.29Å
385L94.4Very high77.3Confident55 Ų5574.7 Ų74.729%0.28843%0.433SS..Hα-helixtrans-81.5-8.5176.1-65.6178.5000112.9M347 Q348 F381 E382 R383 L387M347-L385 HydrophobicContact CB-CD1 3.97Å; Q348-L385 HydrophobicContact CB-CD1 4.15Å; Q348-L385 HydrophobicContact CB-CD2 4.4Å; Q348-L385 HydrophobicContact CG-CD2 4.22Å; F381-L385 HydrophobicContact CD1-CD1 3.99Å; F381-L385 HydrophobicContact CE1-CD1 3.58Å; F381-L385 HydrophobicContact CE1-CG 4.24Å; F381-L385 HydrophobicContact CE2-CD1 4.48Å; F381-L385 HydrophobicContact CE2-CD2 4.25Å; F381-L385 HydrophobicContact CE2-CG 4.28Å; F381-L385 HydrophobicContact CZ-CD1 3.87Å; F381-L385 HydrophobicContact CZ-CD2 4.07Å; F381-L385 HydrophobicContact CZ-CG 4.11Å; F381-L385 WeakPolarHBondContact O-CG 3.3Å; F381-L385 PolarHBondContact O-N 3.34Å; E382-L385 PolarHBondContact O-N 3.16Å; E382-L385 VanDerWaalsContact O-N 3.14Å; R383-L385 VanDerWaalsContact C-N 3.26Å; R383-L385 PolarHBondContact O-N 3.38Å; L385-L387 VanDerWaalsContact C-N 3.26Å; L385-L387 HydrophobicContact CB-CD1 3.8Å; L385-L387 HydrophobicContact CB-CG 3.79Å; L385-L387 HydrophobicContact CD1-CD1 3.78Å; L385-L387 HydrophobicContact CG-CD1 4.48Å; L385-L387 PolarHBondContact O-N 2.8Å
386G91Very high74.8Confident68 Ų6878 Ų7870%0.70146%0.458SS*.THydrogen-bonded Turntrans66.528-175.700000113.1E382 R383 T384E382-G386 PolarHBondContact O-N 3.02Å; R383-G386 PolarHBondContact O-N 3.24Å; R383-G386 VanDerWaalsContact O-N 3.14Å; T384-G386 VanDerWaalsContact C-N 3.29Å
387L86.9Confident73.3Confident34 Ų3482.1 Ų82.118%0.17848%0.483CS..  trans-89.9139.2176.4-59.2172.4000108.6M347 N351 L352 E382 L385M347-L387 HydrophobicContact CB-CD1 4.35Å; N351-L387 HydrophobicContact CB-CD2 4.33Å; L352-L387 VanDerWaalsContact O-CD1 3.3Å; L352-L387 WeakPolarHBondContact O-CD1 2.99Å; E382-L387 HydrophobicContact CG-CB 3.83Å; E382-L387 PolarHBondContact O-N 3.25Å; L385-L387 VanDerWaalsContact C-N 3.26Å; L385-L387 HydrophobicContact CB-CD1 3.8Å; L385-L387 HydrophobicContact CB-CG 3.79Å; L385-L387 HydrophobicContact CD1-CD1 3.78Å; L385-L387 HydrophobicContact CG-CD1 4.48Å; L385-L387 PolarHBondContact O-N 2.8Å
388S74.4Confident70.8Confident91 Ų9189.6 Ų89.664%0.63652%0.518SS*.  trans-126.5136.1177.857.20000109.7
389S64Low68.4Low6 Ų696.5 Ų96.54%0.04255%0.55CS.*  trans-76.9144.7172.5-73.20000109.4N355 C391 D392N355-S389 PolarHBondContact ND2-OG 3.36Å; N355-S389 VanDerWaalsContact ND2-OG 3.17Å; S389-C391 VanDerWaalsContact CB-SG 3.55Å; S389-C391 PolarHBondContact O-N 3.48Å; S389-D392 PolarHBondContact N-OD2 3.27Å; S389-D392 WeakPolarHBondContact O-CB 3.22Å; S389-D392 PolarHBondContact O-N 3.08Å
390P55.7Low66.3Low130 Ų13098.7 Ų98.784%0.84456%0.562SS**THydrogen-bonded Turntrans-58.9-13.8176.7-2433000114.7
391C50.2Low64.5Low91 Ų91100.6 Ų100.662%0.61556%0.564SS**THydrogen-bonded Turntrans-89.9-2.2174.5500000114.2S389 N393S389-C391 VanDerWaalsContact CB-SG 3.55Å; S389-C391 PolarHBondContact O-N 3.48Å; C391-N393 PolarHBondContact O-N 3.27Å
392D49.7Very low62.1Low95 Ų95105.6 Ų105.651%0.50859%0.586SS.*  trans-75.788.8170.6-72.7-40.3000109.4S389 H394S389-D392 PolarHBondContact N-OD2 3.27Å; S389-D392 WeakPolarHBondContact O-CB 3.22Å; S389-D392 PolarHBondContact O-N 3.08Å; D392-H394 PolarHBondContact O-N 3Å
393N41.6Very low59.6Low163 Ų163108 Ų10887%0.87260%0.604SS**  trans-68.724.1169.6-80.8-46.1000113.4C391 A395C391-N393 PolarHBondContact O-N 3.27Å; N393-A395 VanDerWaalsContact C-N 3.35Å; N393-A395 PolarHBondContact O-N 3.39Å; N393-A395 VanDerWaalsContact O-N 3.14Å
394H45.1Very low57.5Low176 Ų176102.5 Ų102.582%0.81559%0.59SS**  trans-85.384.7170.1-124.8-78000108.5D392D392-H394 PolarHBondContact O-N 3Å
395A35.7Very low55.2Low71 Ų71103.7 Ų103.759%0.58760%0.6SS**  trans-54.8134.816400000108.7N393 S397N393-A395 VanDerWaalsContact C-N 3.35Å; N393-A395 PolarHBondContact O-N 3.39Å; N393-A395 VanDerWaalsContact O-N 3.14Å; A395-S397 PolarHBondContact O-N 3.39Å
396P44.3Very low53.1Low119 Ų119106.9 Ų106.977%0.77362%0.622SS**SBendtrans-70.9121.8175.327.6-29.3000108.7
397S49.6Very low51.1Low116 Ų116108.9 Ų108.981%0.81162%0.616SS**  trans62.682.6167.444.40000117.5A395A395-S397 PolarHBondContact O-N 3.39Å
398E41.3Very low49.5Very low174 Ų174116.4 Ų116.481%0.81365%0.65SS**  trans-106.5126.3143.1-75.7-162.8159.800109.1L400E398-L400 PolarHBondContact O-N 3.44Å
399Q46.5Very low48.1Very low144 Ų144116.8 Ų116.867%0.67365%0.645SS**  trans-60.2119.9173.8-80.1173.7-23.900109Y401Q399-Y401 HydrophobicContact CB-CE2 3.93Å; Q399-Y401 WeakPolarHBondContact O-CD2 3.11Å; Q399-Y401 VanDerWaalsContact O-CE2 3.22Å; Q399-Y401 WeakPolarHBondContact O-CE2 3.45Å; Q399-Y401 PolarHBondContact O-N 3.19Å; Q399-Y401 PolarHBondContact OE1-OH 3.11Å; Q399-Y401 VanDerWaalsContact OE1-OH 3.08Å
400L48.6Very low47.2Very low134 Ų134122.1 Ų122.170%0.70267%0.673SS**  trans-75.3122.6177.9-65.8171000109.5E398 L413E398-L400 PolarHBondContact O-N 3.44Å; L400-L413 HydrophobicContact CB-CD1 4.37Å; L400-L413 PolarHBondContact O-N 2.98Å
401Y51.8Low47.1Very low121 Ų121121.8 Ų121.848%0.47566%0.658SS.*EExtended strand (participates in β ladder)trans-106.8144.5172.4-60.1-88.8000109.5Q399 F411 P412Q399-Y401 HydrophobicContact CB-CE2 3.93Å; Q399-Y401 WeakPolarHBondContact O-CD2 3.11Å; Q399-Y401 VanDerWaalsContact O-CE2 3.22Å; Q399-Y401 WeakPolarHBondContact O-CE2 3.45Å; Q399-Y401 PolarHBondContact O-N 3.19Å; Q399-Y401 PolarHBondContact OE1-OH 3.11Å; Q399-Y401 VanDerWaalsContact OE1-OH 3.08Å; Y401-F411 WeakPolarHBondContact CA-O 3.34Å; Y401-P412 HydrophobicContact CD1-CB 3.96Å; Y401-P412 HydrophobicContact CE1-CB 3.66Å; Y401-P412 HydrophobicContact CE1-CG 4.32Å
402F46.5Very low47Very low130 Ų130120.9 Ų120.957%0.5765%0.651SS**EExtended strand (participates in β ladder)trans-115.1140.3170.1-171.6-97.5000110.6T404 F411F402-T404 HydrophobicContact CD1-CG2 4.31Å; F402-T404 HydrophobicContact CE1-CG2 4.04Å; F402-F411 PolarHBondContact N-O 2.79Å; F402-F411 PolarHBondContact O-N 3.17Å
403S45.9Very low46.9Very low63 Ų63122.1 Ų122.144%0.44166%0.657SS.*EExtended strand (participates in β ladder)trans-114.3133.3175.2-610000109.4L410S403-L410 WeakPolarHBondContact OG-CD2 3.24Å
404T47.3Very low46.9Very low63 Ų63121 Ų12139%0.38765%0.651SS.*EExtended strand (participates in β ladder)trans-88.3153.2175.6560000111.3F402 T406F402-T404 HydrophobicContact CD1-CG2 4.31Å; F402-T404 HydrophobicContact CE1-CG2 4.04Å; T404-T406 PolarHBondContact O-N 3.23Å
405P49.7Very low46.9Very low133 Ų133119.3 Ų119.386%0.86465%0.653SS**THydrogen-bonded Turntrans-67.6-8.2-173.3-18.531.5000115.1
406T50Low47Very low123 Ų123123.9 Ų123.976%0.75567%0.667SS**THydrogen-bonded Turntrans-121.62.2-171.134.80000115.2T404T404-T406 PolarHBondContact O-N 3.23Å
407N48.6Very low46.8Very low110 Ų110127 Ų12759%0.58867%0.671SS**EExtended strand (participates in β ladder)trans-157.7133.3166.3-95.9-65.6000111.4N409N407-N409 PolarHBondContact O-N 3.39Å
408H52.2Low46.1Very low192 Ų192127.4 Ų127.489%0.88967%0.674SS**EExtended strand (participates in β ladder)trans-70.126.6-179.1-77.7-70000115.2
409N45.9Very low45.9Very low98 Ų98129 Ų12952%0.52470%0.696SS.*EExtended strand (participates in β ladder)trans-89125.4175.5-68.2-40000110N407 F411N407-N409 PolarHBondContact O-N 3.39Å; N409-F411 HydrophobicContact CB-CE2 3.8Å; N409-F411 HydrophobicContact CB-CZ 3.88Å; N409-F411 WeakPolarHBondContact O-CD2 3.46Å; N409-F411 WeakPolarHBondContact O-CE2 3.38Å
410L45.8Very low45.9Very low119 Ų119128.3 Ų128.362%0.62370%0.697SS**EExtended strand (participates in β ladder)trans-83.8123.5176.3-70.6163.9000109.6S403S403-L410 WeakPolarHBondContact OG-CD2 3.24Å
411F53.2Low45.8Very low123 Ų123127.9 Ų127.954%0.53970%0.697SS.*EExtended strand (participates in β ladder)trans-112.4125.9176.5-62.4-82.8000110.8Y401 F402 N409Y401-F411 WeakPolarHBondContact CA-O 3.34Å; F402-F411 PolarHBondContact N-O 2.79Å; F402-F411 PolarHBondContact O-N 3.17Å; N409-F411 HydrophobicContact CB-CE2 3.8Å; N409-F411 HydrophobicContact CB-CZ 3.88Å; N409-F411 WeakPolarHBondContact O-CD2 3.46Å; N409-F411 WeakPolarHBondContact O-CE2 3.38Å
412P47.4Very low45.4Very low71 Ų71128.3 Ų128.346%0.46171%0.709SS.*EExtended strand (participates in β ladder)trans-70.6133.9173.823.2-27.7000111.2Y401 N414Y401-P412 HydrophobicContact CD1-CB 3.96Å; Y401-P412 HydrophobicContact CE1-CB 3.66Å; Y401-P412 HydrophobicContact CE1-CG 4.32Å; P412-N414 PolarHBondContact O-N 3.06Å
413L47.1Very low45.4Very low122 Ų122128.2 Ų128.264%0.63972%0.717SS**  trans-79.199.3168.6-84.2156.3000109.2L400 T415L400-L413 HydrophobicContact CB-CD1 4.37Å; L400-L413 PolarHBondContact O-N 2.98Å; L413-T415 PolarHBondContact O-N 3.41Å
414N43.4Very low45.3Very low139 Ų139132.3 Ų132.374%0.74373%0.734SS**  trans-76.3121.7166.4-75.7-21.4000109P412 L416P412-N414 PolarHBondContact O-N 3.06Å; N414-L416 PolarHBondContact O-N 3.29Å
415T44.2Very low45.2Very low140 Ų140136.9 Ų136.986%0.85976%0.758SS**  trans-55.1118.9165.110.40000108.9L413 E417L413-T415 PolarHBondContact O-N 3.41Å; T415-E417 PolarHBondContact O-N 3.43Å; T415-E417 VanDerWaalsContact O-N 3.07Å
416L37.6Very low44.9Very low167 Ų167137.2 Ų137.287%0.87475%0.75SS**  trans-53.5112.5171.9-81.6150.6000109.4N414 S418N414-L416 PolarHBondContact O-N 3.29Å; L416-S418 PolarHBondContact O-N 2.88Å
417E39.5Very low44.5Very low186 Ų186138.3 Ų138.387%0.86975%0.75SS**  trans-59.9122.3157.3-84.6-179.6137.900107.6T415 T419T415-E417 PolarHBondContact O-N 3.43Å; T415-E417 VanDerWaalsContact O-N 3.07Å; E417-T419 PolarHBondContact O-N 3.05Å
418S35.9Very low44.2Very low123 Ų123140.7 Ų140.786%0.8676%0.763SS**  trans-71.5116.1166.4-61.20000108.1L416L416-S418 PolarHBondContact O-N 2.88Å
419T37.7Very low43.4Very low208 Ų208136 Ų136100%1.27675%0.752SS**  trans-89.20154.747.50000110.2E417E417-T419 PolarHBondContact O-N 3.05Å

Retrieved 419 of 419 residues in 122.6 ms (Link to these results)