A0A060XUF6_ONCMY Loading...

SURF1-like protein

Probably involved in the biogenesis of the COX complex.

AlphaFold DB , UniProt , Accession A0A060XUF6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523312, Length 303 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.2Very low39.6Very low254 Ų254131 Ų131100%1.25178%0.781SS**  0112.60-80.5-179.8164.600107.9
2G43.9Very low39.5Very low79 Ų79126.3 Ų126.381%0.81477%0.768SS**  trans145.368.5-177.400000112.6
3S38.7Very low39.3Very low117 Ų117130.5 Ų130.582%0.81877%0.769SS**SBendtrans-165.333.6162.4-165.80000113.6
4L37.8Very low39.2Very low148 Ų148127.5 Ų127.578%0.77575%0.753SS**SBendtrans-124.2-4.9177.6-94155.3000114.5
5T43.4Very low38.8Very low128 Ų128128.1 Ų128.179%0.78575%0.75SS**SBendtrans-91.4-9.6-175.5-27.50000114
6V39.9Very low38.5Very low127 Ų127131.6 Ų131.677%0.7775%0.753SS**SBendtrans-94.3-19.3-173.7-177.30000113.6F8V6-F8 PolarHBondContact O-N 3.1Å
7M37.1Very low38.2Very low167 Ų167133.6 Ų133.682%0.82376%0.757SS**SBendtrans-76.4-20.8-178.3-83.2-103.2-146.500114.5
8F37.8Very low38.1Very low175 Ų175134.5 Ų134.577%0.76876%0.758SS**SBendtrans-84.9-18.8-178.2-84.7-80.5000114.2V6V6-F8 PolarHBondContact O-N 3.1Å
9A37.9Very low37.9Very low73 Ų73137.4 Ų137.460%0.60376%0.761SS**THydrogen-bonded Turntrans-80.6-20.6-17800000114
10C33Very low37.9Very low101 Ų101137.9 Ų137.968%0.68276%0.762SS**THydrogen-bonded Turntrans-86.8-19.1-175.7-143.50000113.7
11S39.6Very low37.7Very low72 Ų72138 Ų13850%0.50376%0.762SS.*Hα-helixtrans-81-27.2-178.1-169.90000113.5T14S11-T14 PolarHBondContact O-OG1 3.2Å
12A38.2Very low37Very low75 Ų75132 Ų13262%0.6275%0.745SS**Hα-helixtrans-77.7-22.9-175.400000114.1
13K37.8Very low36.5Very low180 Ų180136.2 Ų136.278%0.78374%0.743SS**Hα-helixtrans-84.9-25.6-179.1-77.2-177176.6-179.40113.6
14T37.2Very low36.2Very low89 Ų89135 Ų13555%0.54674%0.74SS.*Hα-helixtrans-78.7-27-179.335.20000113.4S11 K16S11-T14 PolarHBondContact O-OG1 3.2Å; T14-K16 VanDerWaalsContact C-N 3.3Å; T14-K16 PolarHBondContact O-N 3.32Å
15L34.1Very low35.9Very low136 Ų136135.1 Ų135.171%0.71274%0.74SS**THydrogen-bonded Turntrans-72.4-18.5176.8-98.3112.4000114.5
16K33.9Very low35.4Very low184 Ų184139.8 Ų139.880%0.875%0.745SS**THydrogen-bonded Turntrans-82.9-17-179.7-134.2173.4-175.31790113.4T14T14-K16 VanDerWaalsContact C-N 3.3Å; T14-K16 PolarHBondContact O-N 3.32Å
17M32.3Very low35Very low167 Ų167143.1 Ų143.182%0.82375%0.749SS**SBendtrans-90.3-12-177.7-97.3-163.779.500115.4
18I36.7Very low34.6Very low149 Ų149144.1 Ų144.176%0.76475%0.749SS**SBendtrans-94.2-5.3-173.8-60.2175.3000112.6
19K34.4Very low34.4Very low190 Ų190147.9 Ų147.983%0.82676%0.758SS**SBendtrans-84.5-6.5-175.8-159.6173.3177.3-176.10115
20N38Very low34Very low146 Ų146150.7 Ų150.778%0.78177%0.768SS**SBendtrans-118.418.4-163.2-117.535.9000118.1
21N34.5Very low34.2Very low140 Ų140154 Ų15475%0.74978%0.778SS**  trans-141.592.1174-90.1-19.8000112.6
22S31.8Very low33.9Very low129 Ų129158.6 Ų158.690%0.90280%0.796SS**  trans-131.883.2161.4-63.90000108.5A24S22-A24 PolarHBondContact O-N 3.36Å
23H32.7Very low33.7Very low168 Ų168160.2 Ų160.278%0.77880%0.8SS**  trans-74.1121.5166-79.9-82.1000109I25H23-I25 PolarHBondContact O-N 3.18Å
24A31.7Very low33.7Very low91 Ų91163.3 Ų163.375%0.75281%0.807SS**  trans-66.4124.217300000110.2S22S22-A24 PolarHBondContact O-N 3.36Å
25I32.8Very low33.4Very low150 Ų150167 Ų16777%0.76982%0.823SS**  trans-110.9109171.3-57.9178.6000107.8H23H23-I25 PolarHBondContact O-N 3.18Å
26Y31.4Very low33.5Very low227 Ų227165.5 Ų165.589%0.8982%0.821SS**  trans-79.6125.3170.4-98.9-97.9000109.7
27F32.3Very low33.5Very low196 Ų196164 Ų16486%0.8682%0.821SS**  trans-96110172.7-132.2-89.2000110.3
28K29.3Very low33.3Very low189 Ų189164.7 Ų164.782%0.82282%0.819SS**  trans-69.6128.2168.8-97.7-177.6175-177.70109.3T30K28-T30 PolarHBondContact O-N 3.18Å
29R32.3Very low33Very low254 Ų254166.6 Ų166.696%0.95882%0.822SS**  trans-75.1116.3169-109.9177.7175.2177.6-1.2109.1
30T30.9Very low33Very low132 Ų132166.4 Ų166.481%0.8182%0.824SS**  trans-107.9118.4170.5-31.20000108.7K28K28-T30 PolarHBondContact O-N 3.18Å
31L36.3Very low32.7Very low171 Ų171165 Ų16590%0.89583%0.825SS**  trans-67.5132.8170.9-77.9146.3000109.7
32L33.7Very low32.7Very low167 Ų167167.3 Ų167.387%0.87483%0.832SS**  trans-106.8140.6167.5-90.2162.2000110.1
33P33.2Very low32.7Very low109 Ų109164.8 Ų164.871%0.70883%0.826SS**  trans-90.2160.8-171.436.4-33.2000113.2
34R39.2Very low32.6Very low245 Ų245165.6 Ų165.693%0.92583%0.827SS**  trans-68.6144172.1-69.1176.6171.8177.6-3.4111.6
35L30.5Very low32.7Very low168 Ų168167.8 Ų167.888%0.8884%0.836SS**  trans-136.3158.3156.5-106.6116.1000111.1
36P36.2Very low32.7Very low103 Ų103165.9 Ų165.967%0.66983%0.826SS**  trans-112.9160-146.340.2-30000116
37L32.4Very low32.9Very low153 Ų153163.2 Ų163.280%0.80183%0.827SS**  trans29.2153.2138.6-113.3117.8000123.8
38F30.1Very low32.9Very low181 Ų181162.7 Ų162.779%0.79483%0.825SS**  trans85.1135.9174.7-84.4-90.1000115.6
39K30.2Very low33Very low190 Ų190156.5 Ų156.583%0.82682%0.815SS**  cis-159.1139.727.3-165.8161.5-170-1770110.1
40Q34.3Very low33.5Very low186 Ų186156.1 Ų156.187%0.86981%0.813SS**  trans-78.6130.7171-167.117412.200109
41S30.4Very low33.8Very low115 Ų115157.5 Ų157.580%0.80482%0.815SS**  trans-130.7122.4161.572.10000109.5
42E35Very low34.3Very low190 Ų190154.7 Ų154.789%0.88881%0.81SS**  trans-63155.2170.6-62.8-173.5141.200111.9
43G31.5Very low34.7Very low75 Ų75150.5 Ų150.577%0.77379%0.794SS**  trans128.3111.6145.800000115.9
44K30.3Very low35.5Very low185 Ų185149.7 Ų149.780%0.80479%0.791SS**  trans92.295.4147-136.9165.2-173.5173.60117I46K44-I46 HydrophobicContact CG-CG1 4.18Å; K44-I46 PolarHBondContact O-N 3.05Å
45C33.6Very low35.9Very low138 Ų138143.4 Ų143.493%0.93278%0.78SS**  trans-57.7111.8153.6-76.20000109.3
46I33.8Very low36.7Very low110 Ų110138.2 Ų138.256%0.56476%0.761SS**  trans-115.7108.3161.4-57.6178.5000105.7K44 F48K44-I46 HydrophobicContact CG-CG1 4.18Å; K44-I46 PolarHBondContact O-N 3.05Å; I46-F48 VanDerWaalsContact C-N 3.29Å; I46-F48 HydrophobicContact CB-CD2 4.38Å; I46-F48 HydrophobicContact CG2-CD2 3.57Å; I46-F48 HydrophobicContact CG2-CE2 3.66Å; I46-F48 PolarHBondContact O-N 3.37Å
47N35.3Very low37.1Very low170 Ų170136.3 Ų136.391%0.90975%0.754SS**  trans-61.893.1166.1-91.1-26.2000108
48F32.8Very low37.9Very low186 Ų186132.9 Ų132.982%0.81674%0.743SS**  trans-82.6119.6162.9-101.2-84.7000108.5I46I46-F48 VanDerWaalsContact C-N 3.29Å; I46-F48 HydrophobicContact CB-CD2 4.38Å; I46-F48 HydrophobicContact CG2-CD2 3.57Å; I46-F48 HydrophobicContact CG2-CE2 3.66Å; I46-F48 PolarHBondContact O-N 3.37Å
49G30.5Very low39Very low59 Ų59127 Ų12761%0.60873%0.727SS**  trans-47.1140179.800000112.4L51G49-L51 VanDerWaalsContact C-N 3.28Å; G49-L51 PolarHBondContact O-N 2.83Å
50R43Very low40.3Very low245 Ų245120 Ų12093%0.92571%0.706SS**  trans-55.887.2170-162.8-176.8-147.9-169.75.5109.4
51L37Very low41.5Very low162 Ų162119.3 Ų119.385%0.84870%0.7SS**  trans-82.3111.7157-96.5102.9000107.3G49 S53G49-L51 VanDerWaalsContact C-N 3.28Å; G49-L51 PolarHBondContact O-N 2.83Å; L51-S53 PolarHBondContact O-N 3.37Å
52S46.5Very low43.1Very low112 Ų112115.9 Ų115.978%0.78368%0.683SS**  trans-50.4104.3171.6-63.20000110.9S54S52-S54 VanDerWaalsContact C-N 3.35Å; S52-S54 PolarHBondContact O-N 3.02Å
53S42.3Very low44.9Very low79 Ų79113.1 Ų113.155%0.55267%0.67SS**  trans-72.291.2163.5-73.10000108.9L51 T55 A56 A57L51-S53 PolarHBondContact O-N 3.37Å; S53-T55 PolarHBondContact O-N 3.35Å; S53-A56 PolarHBondContact O-N 3.2Å; S53-A56 VanDerWaalsContact O-N 3.14Å; S53-A57 PolarHBondContact O-N 2.99Å
54S50.7Low47Very low92 Ų92113.7 Ų113.764%0.64366%0.655SS**Hα-helixtrans-56.8-30169.558.20000111.6S52 S58S52-S54 VanDerWaalsContact C-N 3.35Å; S52-S54 PolarHBondContact O-N 3.02Å; S54-S58 WeakPolarHBondContact O-CB 3.42Å; S54-S58 PolarHBondContact O-N 2.87Å
55T46.5Very low49.4Very low113 Ų113107.5 Ų107.569%0.69364%0.635SS**Hα-helixtrans-70.8-38174.9-39.60000113S53 S58 A59S53-T55 PolarHBondContact O-N 3.35Å; T55-S58 PolarHBondContact O-N 3.34Å; T55-A59 WeakPolarHBondContact O-CB 3.29Å; T55-A59 PolarHBondContact O-N 3.36Å
56A47.3Very low51.9Low59 Ų59107.4 Ų107.449%0.48862%0.619SS.*Hα-helixtrans-72.9-36.5176.500000111.9S53 A59 A60S53-A56 PolarHBondContact O-N 3.2Å; S53-A56 VanDerWaalsContact O-N 3.14Å; A56-A59 PolarHBondContact O-N 2.92Å; A56-A60 VanDerWaalsContact O-CB 3.28Å; A56-A60 WeakPolarHBondContact O-CB 3.3Å; A56-A60 PolarHBondContact O-N 3.34Å
57A46.6Very low54.4Low63 Ų63105.5 Ų105.552%0.52161%0.61SS.*Hα-helixtrans-68.3-34.5173.500000112.4S53 K61S53-A57 PolarHBondContact O-N 2.99Å; A57-K61 WeakPolarHBondContact O-CB 3.38Å; A57-K61 PolarHBondContact O-N 3.39Å; A57-K61 VanDerWaalsContact O-N 3.1Å
58S49.2Very low56.9Low81 Ų81100.5 Ų100.557%0.56658%0.58SS**Hα-helixtrans-71-40.6173.6179.50000112.5S54 T55 K61 G62S54-S58 WeakPolarHBondContact O-CB 3.42Å; S54-S58 PolarHBondContact O-N 2.87Å; T55-S58 PolarHBondContact O-N 3.34Å; S58-K61 PolarHBondContact O-N 2.7Å; S58-G62 PolarHBondContact O-N 2.95Å
59A52.8Low59.6Low56 Ų56100.1 Ų100.146%0.46357%0.573SS.*Hα-helixtrans-64.6-44.7175.100000111.4T55 A56 K61 G62 E63T55-A59 WeakPolarHBondContact O-CB 3.29Å; T55-A59 PolarHBondContact O-N 3.36Å; A56-A59 PolarHBondContact O-N 2.92Å; A59-K61 PolarHBondContact O-N 3.21Å; A59-G62 PolarHBondContact O-N 3.29Å; A59-G62 VanDerWaalsContact O-N 3.14Å; A59-E63 PolarHBondContact O-N 3.02Å
60A56.2Low62.5Low45 Ų45101.3 Ų101.337%0.37257%0.565SS.*Hα-helixtrans-62.1-38.1175.900000112.9A56 G62 E63 D64A56-A60 VanDerWaalsContact O-CB 3.28Å; A56-A60 WeakPolarHBondContact O-CB 3.3Å; A56-A60 PolarHBondContact O-N 3.34Å; A60-G62 VanDerWaalsContact C-N 3.33Å; A60-G62 PolarHBondContact O-N 2.88Å; A60-E63 PolarHBondContact O-N 2.92Å; A60-D64 WeakPolarHBondContact O-CB 3.5Å; A60-D64 PolarHBondContact O-N 2.96Å
61K60Low64.8Low170 Ų17092.5 Ų92.574%0.73954%0.536SS*.Hα-helixtrans-63.9-36.4173.8-108.5-176.5176.4-179.80112.8A57 S58 A59 S65A57-K61 WeakPolarHBondContact O-CB 3.38Å; A57-K61 PolarHBondContact O-N 3.39Å; A57-K61 VanDerWaalsContact O-N 3.1Å; S58-K61 PolarHBondContact O-N 2.7Å; A59-K61 PolarHBondContact O-N 3.21Å; K61-S65 WeakPolarHBondContact O-CB 3.43Å; K61-S65 PolarHBondContact O-N 3.01Å; K61-S65 VanDerWaalsContact O-N 3.13Å
62G64.9Low67.4Low44 Ų4487 Ų8745%0.45451%0.507SS..Hα-helixtrans-68.6-44.2176.600000112.4S58 A59 A60 S65 F66S58-G62 PolarHBondContact O-N 2.95Å; A59-G62 PolarHBondContact O-N 3.29Å; A59-G62 VanDerWaalsContact O-N 3.14Å; A60-G62 VanDerWaalsContact C-N 3.33Å; A60-G62 PolarHBondContact O-N 2.88Å; G62-S65 PolarHBondContact O-N 3.08Å; G62-F66 WeakPolarHBondContact O-CB 3.01Å; G62-F66 PolarHBondContact O-N 2.87Å
63E71.5Confident69.6Low132 Ų13286.4 Ų86.462%0.61750%0.495SS*.Hα-helixtrans-64.7-41.4176.1-71.9-176.8146.800112.4A59 A60 S65 F66 L67A59-E63 PolarHBondContact O-N 3.02Å; A60-E63 PolarHBondContact O-N 2.92Å; E63-S65 PolarHBondContact O-N 3.4Å; E63-F66 PolarHBondContact O-N 3.39Å; E63-L67 WeakPolarHBondContact O-CB 3.3Å; E63-L67 VanDerWaalsContact O-CG 3.29Å; E63-L67 WeakPolarHBondContact O-CG 3.32Å; E63-L67 PolarHBondContact O-N 3.4Å
64D75.5Confident72.1Confident86 Ų8686.3 Ų86.346%0.4649%0.488SS..Hα-helixtrans-65.3-37.4175.4-85.8-21.2000112.4A60 K68A60-D64 WeakPolarHBondContact O-CB 3.5Å; A60-D64 PolarHBondContact O-N 2.96Å; D64-K68 WeakPolarHBondContact O-CB 3.38Å; D64-K68 WeakPolarHBondContact O-CD 3.32Å; D64-K68 WeakPolarHBondContact O-CG 3.16Å; D64-K68 PolarHBondContact O-N 3.41Å
65S81.7Confident74.2Confident55 Ų5582.3 Ų82.339%0.38546%0.459SS..Hα-helixtrans-66.7-45.1174.6-168.90000111.2K61 G62 E63 K68 W69K61-S65 WeakPolarHBondContact O-CB 3.43Å; K61-S65 PolarHBondContact O-N 3.01Å; K61-S65 VanDerWaalsContact O-N 3.13Å; G62-S65 PolarHBondContact O-N 3.08Å; E63-S65 PolarHBondContact O-N 3.4Å; S65-K68 WeakPolarHBondContact O-CB 3.28Å; S65-K68 PolarHBondContact O-N 2.77Å; S65-W69 PolarHBondContact O-N 2.59Å
66F86.2Confident76.5Confident136 Ų13681.1 Ų81.160%0.59645%0.452SS*.Hα-helixtrans-60.7-47176.2177.6-102.1000112G62 E63 K68 W69 L70G62-F66 WeakPolarHBondContact O-CB 3.01Å; G62-F66 PolarHBondContact O-N 2.87Å; E63-F66 PolarHBondContact O-N 3.39Å; F66-K68 VanDerWaalsContact C-N 3.32Å; F66-K68 PolarHBondContact O-N 3.34Å; F66-W69 PolarHBondContact O-N 2.77Å; F66-L70 HydrophobicContact CE1-CD2 4.02Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 VanDerWaalsContact O-CB 3.27Å; F66-L70 WeakPolarHBondContact O-CB 3.48Å; F66-L70 PolarHBondContact O-N 3.35Å
67L86.3Confident78.8Confident70 Ų7081.6 Ų81.637%0.36645%0.448SS..Hα-helixtrans-62.8-35.9177-74.8166.4000112.6E63 L71E63-L67 WeakPolarHBondContact O-CB 3.3Å; E63-L67 VanDerWaalsContact O-CG 3.29Å; E63-L67 WeakPolarHBondContact O-CG 3.32Å; E63-L67 PolarHBondContact O-N 3.4Å; L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.11Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.78Å
68K87.6Confident81.1Confident66 Ų6679 Ų7929%0.28743%0.427SS..Hα-helixtrans-58.2-51.7173.9-79.2167.3-169.3-175.50111.4D64 S65 F66 L72 W294 F298D64-K68 WeakPolarHBondContact O-CB 3.38Å; D64-K68 WeakPolarHBondContact O-CD 3.32Å; D64-K68 WeakPolarHBondContact O-CG 3.16Å; D64-K68 PolarHBondContact O-N 3.41Å; S65-K68 WeakPolarHBondContact O-CB 3.28Å; S65-K68 PolarHBondContact O-N 2.77Å; F66-K68 VanDerWaalsContact C-N 3.32Å; F66-K68 PolarHBondContact O-N 3.34Å; K68-L72 PolarHBondContact O-N 2.77Å; K68-W294 PolarHBondContact O-NE1 3.47Å; K68-F298 HydrophobicContact CB-CE1 4.47Å; K68-F298 HydrophobicContact CB-CE2 4.41Å; K68-F298 HydrophobicContact CB-CZ 4.32Å; K68-F298 HydrophobicContact CD-CD1 3.93Å; K68-F298 HydrophobicContact CD-CE1 4.21Å; K68-F298 HydrophobicContact CD-CG 4.32Å; K68-F298 HydrophobicContact CG-CB 4.33Å; K68-F298 HydrophobicContact CG-CD1 3.33Å; K68-F298 HydrophobicContact CG-CD2 3.9Å; K68-F298 HydrophobicContact CG-CE1 3.31Å; K68-F298 HydrophobicContact CG-CE2 3.89Å; K68-F298 HydrophobicContact CG-CG 3.61Å; K68-F298 HydrophobicContact CG-CZ 3.58Å
69W89.3Confident83.3Confident177 Ų17780.5 Ų80.567%0.6742%0.423SS*.Hα-helixtrans-71-38.5-179-68.3112.2000112.3S65 F66 L71 L72 L73S65-W69 PolarHBondContact O-N 2.59Å; F66-W69 PolarHBondContact O-N 2.77Å; W69-L71 PolarHBondContact O-N 3.5Å; W69-L72 HydrophobicContact CE3-CD2 4.14Å; W69-L72 HydrophobicContact CZ3-CD2 4.1Å; W69-L72 WeakPolarHBondContact O-CB 3.27Å; W69-L72 PolarHBondContact O-N 2.83Å; W69-L73 PolarHBondContact O-N 2.81Å
70L91Very high85.4Confident84 Ų8479.7 Ų79.744%0.4442%0.42SS..Hα-helixtrans-60.7-44.4175.9-177.366.2000111.7F66 L72 L73F66-L70 HydrophobicContact CE1-CD2 4.02Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 VanDerWaalsContact O-CB 3.27Å; F66-L70 WeakPolarHBondContact O-CB 3.48Å; F66-L70 PolarHBondContact O-N 3.35Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 2.84Å; L70-L73 VanDerWaalsContact O-CB 3.24Å; L70-L73 WeakPolarHBondContact O-CB 3.34Å; L70-L73 PolarHBondContact O-N 2.98Å
71L90.7Very high87.2Confident60 Ų6080.8 Ų80.831%0.31442%0.419SS..Hα-helixtrans-71.8-25.1178.9-72.5170.2000113L67 W69 L73 I74 P75 F298L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.11Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.78Å; W69-L71 PolarHBondContact O-N 3.5Å; L71-L73 PolarHBondContact O-N 2.79Å; L71-I74 HydrophobicContact CD2-CD1 4.19Å; L71-I74 PolarHBondContact O-N 3.42Å; L71-P75 VanDerWaalsContact O-CD 3.25Å; L71-P75 WeakPolarHBondContact O-CD 3.35Å; L71-F298 HydrophobicContact CB-CE2 4.49Å; L71-F298 HydrophobicContact CD1-CE2 3.82Å; L71-F298 HydrophobicContact CD1-CZ 3.94Å
72L92.1Very high88.8Confident46 Ų4672.7 Ų72.724%0.24138%0.384CS..Hα-helixtrans-69.5-22173.9-161.794.1000112.3K68 W69 L70 I74 P75 V76 W294K68-L72 PolarHBondContact O-N 2.77Å; W69-L72 HydrophobicContact CE3-CD2 4.14Å; W69-L72 HydrophobicContact CZ3-CD2 4.1Å; W69-L72 WeakPolarHBondContact O-CB 3.27Å; W69-L72 PolarHBondContact O-N 2.83Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 2.84Å; L72-I74 PolarHBondContact O-N 3.24Å; L72-P75 WeakPolarHBondContact O-CD 3.46Å; L72-P75 VanDerWaalsContact O-CG 3.28Å; L72-P75 WeakPolarHBondContact O-CG 3.26Å; L72-V76 HydrophobicContact CD2-CG2 4.49Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.38Å; L72-V76 PolarHBondContact O-N 3.24Å; L72-W294 HydrophobicContact CD1-CD2 3.69Å; L72-W294 VanDerWaalsContact CD1-CE2 3.41Å; L72-W294 HydrophobicContact CD1-CE3 3.99Å; L72-W294 HydrophobicContact CD1-CG 4.29Å; L72-W294 HydrophobicContact CD1-CH2 3.88Å; L72-W294 HydrophobicContact CD1-CZ2 3.54Å; L72-W294 HydrophobicContact CD1-CZ3 4.08Å
73L94.2Very high90.3Very high101 Ų10172.5 Ų72.553%0.52937%0.374SS..Hα-helixtrans-61.6-32177.1-170.368.4000112.2W69 L70 L71 V76 T77W69-L73 PolarHBondContact O-N 2.81Å; L70-L73 VanDerWaalsContact O-CB 3.24Å; L70-L73 WeakPolarHBondContact O-CB 3.34Å; L70-L73 PolarHBondContact O-N 2.98Å; L71-L73 PolarHBondContact O-N 2.79Å; L73-V76 PolarHBondContact O-N 2.89Å; L73-T77 HydrophobicContact CD1-CG2 4.22Å; L73-T77 HydrophobicContact CG-CG2 4.09Å; L73-T77 WeakPolarHBondContact O-CB 3.34Å; L73-T77 VanDerWaalsContact O-CG2 3.23Å; L73-T77 WeakPolarHBondContact O-CG2 3.42Å; L73-T77 PolarHBondContact O-N 3.45Å; L73-T77 PolarHBondContact O-OG1 2.83Å
74I93.2Very high91.3Very high77 Ų7772.8 Ų72.840%0.39537%0.369SS..Hα-helixtrans-65.1-54.3-177.8-55.9173.3000112.1L71 L72 V76 T77 T78 T290L71-I74 HydrophobicContact CD2-CD1 4.19Å; L71-I74 PolarHBondContact O-N 3.42Å; L72-I74 PolarHBondContact O-N 3.24Å; I74-V76 VanDerWaalsContact C-N 3.31Å; I74-V76 PolarHBondContact O-N 3.44Å; I74-T77 PolarHBondContact O-N 3.18Å; I74-T77 PolarHBondContact O-OG1 2.74Å; I74-T78 WeakPolarHBondContact O-CG2 3.38Å; I74-T78 PolarHBondContact O-N 3.49Å; I74-T78 PolarHBondContact O-OG1 3.33Å; I74-T290 HydrophobicContact CG2-CG2 3.79Å
75P94.6Very high92.1Very high8 Ų869.7 Ų69.75%0.05235%0.352CS..Hα-helixtrans-63.4-36175.721.4-31.4000112.6L71 L72 T78 F79 S291L71-P75 VanDerWaalsContact O-CD 3.25Å; L71-P75 WeakPolarHBondContact O-CD 3.35Å; L72-P75 WeakPolarHBondContact O-CD 3.46Å; L72-P75 VanDerWaalsContact O-CG 3.28Å; L72-P75 WeakPolarHBondContact O-CG 3.26Å; P75-T78 WeakPolarHBondContact CA-OG1 3.36Å; P75-T78 PolarHBondContact O-OG1 2.63Å; P75-T78 VanDerWaalsContact O-OG1 3.13Å; P75-F79 VanDerWaalsContact O-CB 3.23Å; P75-F79 WeakPolarHBondContact O-CB 3.46Å; P75-F79 PolarHBondContact O-N 2.9Å; P75-S291 WeakPolarHBondContact CB-OG 3.33Å
76V95.4Very high92.6Very high87 Ų8769.2 Ų69.253%0.52735%0.347SS..Hα-helixtrans-62.6-47.2176.8172.60000111.6L72 L73 I74 G80L72-V76 HydrophobicContact CD2-CG2 4.49Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.38Å; L72-V76 PolarHBondContact O-N 3.24Å; L73-V76 PolarHBondContact O-N 2.89Å; I74-V76 VanDerWaalsContact C-N 3.31Å; I74-V76 PolarHBondContact O-N 3.44Å; V76-G80 PolarHBondContact O-N 3.02Å
77T95.1Very high92.9Very high69 Ų6969.4 Ų69.442%0.42335%0.348SS..Hα-helixtrans-67.3-43.4179.549.40000111.9L73 I74 F79 G80 L81L73-T77 HydrophobicContact CD1-CG2 4.22Å; L73-T77 HydrophobicContact CG-CG2 4.09Å; L73-T77 WeakPolarHBondContact O-CB 3.34Å; L73-T77 VanDerWaalsContact O-CG2 3.23Å; L73-T77 WeakPolarHBondContact O-CG2 3.42Å; L73-T77 PolarHBondContact O-N 3.45Å; L73-T77 PolarHBondContact O-OG1 2.83Å; I74-T77 PolarHBondContact O-N 3.18Å; I74-T77 PolarHBondContact O-OG1 2.74Å; T77-F79 PolarHBondContact O-N 3.44Å; T77-G80 PolarHBondContact O-N 3.3Å; T77-L81 WeakPolarHBondContact O-CG 3.42Å; T77-L81 PolarHBondContact O-N 2.76Å
78T95.5Very high93Very high10 Ų1070.9 Ų70.96%0.06135%0.348CS..Hα-helixtrans-66.9-35.1177.853.30000112.7I74 P75 L81 G82 W283 L286 C287I74-T78 WeakPolarHBondContact O-CG2 3.38Å; I74-T78 PolarHBondContact O-N 3.49Å; I74-T78 PolarHBondContact O-OG1 3.33Å; P75-T78 WeakPolarHBondContact CA-OG1 3.36Å; P75-T78 PolarHBondContact O-OG1 2.63Å; P75-T78 VanDerWaalsContact O-OG1 3.13Å; T78-L81 PolarHBondContact O-N 2.79Å; T78-G82 PolarHBondContact O-N 2.84Å; T78-W283 HydrophobicContact CG2-CE3 3.86Å; T78-W283 HydrophobicContact CG2-CZ3 4Å; T78-L286 HydrophobicContact CG2-CB 4.17Å; T78-C287 VanDerWaalsContact OG1-CA 3.3Å; T78-C287 WeakPolarHBondContact OG1-CA 3.49Å; T78-C287 WeakPolarHBondContact OG1-CB 3.44Å
79F95.9Very high93.1Very high111 Ų11171.1 Ų71.149%0.48735%0.347SS..Hα-helixtrans-63-44.1170.1-175.4-96.2000112.3P75 T77 G82 T83 Y284P75-F79 VanDerWaalsContact O-CB 3.23Å; P75-F79 WeakPolarHBondContact O-CB 3.46Å; P75-F79 PolarHBondContact O-N 2.9Å; T77-F79 PolarHBondContact O-N 3.44Å; F79-G82 PolarHBondContact O-N 3.35Å; F79-T83 WeakPolarHBondContact O-CB 3.46Å; F79-T83 PolarHBondContact O-N 3.08Å; F79-T83 PolarHBondContact O-OG1 3.17Å; F79-Y284 HydrophobicContact CD2-CD1 4.2Å; F79-Y284 AromaticContact CD2-CE1 3.77Å; F79-Y284 HydrophobicContact CD2-CE1 3.77Å; F79-Y284 AromaticContact CE2-CE1 3.9Å; F79-Y284 HydrophobicContact CE2-CE1 3.9Å
80G95.8Very high93.1Very high39 Ų3967.6 Ų67.640%0.40234%0.338SS..Hα-helixtrans-60.1-44.317500000112.4V76 T77 T83 W84V76-G80 PolarHBondContact O-N 3.02Å; T77-G80 PolarHBondContact O-N 3.3Å; G80-T83 PolarHBondContact O-N 3.5Å; G80-W84 WeakPolarHBondContact O-CB 3.21Å; G80-W84 PolarHBondContact O-N 2.82Å
81L95Very high93Very high69 Ų6969.8 Ų69.836%0.36134%0.341SS..Hα-helixtrans-64.7-42.4175.4-70.1172000112T77 T78 W84 Q85 W283T77-L81 WeakPolarHBondContact O-CG 3.42Å; T77-L81 PolarHBondContact O-N 2.76Å; T78-L81 PolarHBondContact O-N 2.79Å; L81-W84 PolarHBondContact O-N 3.28Å; L81-Q85 VanDerWaalsContact O-CG 3.28Å; L81-Q85 WeakPolarHBondContact O-CG 3.47Å; L81-Q85 PolarHBondContact O-N 3.42Å; L81-W283 HydrophobicContact CB-CD2 3.77Å; L81-W283 HydrophobicContact CB-CE3 4.01Å; L81-W283 HydrophobicContact CB-CG 4.06Å; L81-W283 HydrophobicContact CD1-CD2 4.19Å; L81-W283 HydrophobicContact CD1-CE3 3.8Å; L81-W283 HydrophobicContact CD1-CH2 3.52Å; L81-W283 HydrophobicContact CD1-CZ2 3.92Å; L81-W283 HydrophobicContact CD1-CZ3 3.45Å; L81-W283 VanDerWaalsContact CD1-CZ3 3.45Å
82G94.4Very high92.8Very high0 Ų068.6 Ų68.60%033%0.333CS..Hα-helixtrans-58.8-47.6174.100000112.1T78 F79 W84 Q85 V86T78-G82 PolarHBondContact O-N 2.84Å; F79-G82 PolarHBondContact O-N 3.35Å; G82-W84 VanDerWaalsContact C-N 3.34Å; G82-W84 PolarHBondContact O-N 2.97Å; G82-Q85 PolarHBondContact O-N 3.37Å; G82-V86 WeakPolarHBondContact O-CG2 3.47Å; G82-V86 PolarHBondContact O-N 2.82Å; G82-V86 VanDerWaalsContact O-N 3.11Å
83T94.5Very high92.5Very high39 Ų3969.7 Ų69.724%0.23934%0.338CS..Hα-helixtrans-62-41.9177.3-57.40000111.8F79 G80 Q85 V86 K87 Y284F79-T83 WeakPolarHBondContact O-CB 3.46Å; F79-T83 PolarHBondContact O-N 3.08Å; F79-T83 PolarHBondContact O-OG1 3.17Å; G80-T83 PolarHBondContact O-N 3.5Å; T83-Q85 VanDerWaalsContact C-N 3.35Å; T83-Q85 PolarHBondContact O-N 3.19Å; T83-V86 PolarHBondContact O-N 2.88Å; T83-K87 PolarHBondContact O-N 3.32Å; T83-K87 VanDerWaalsContact O-N 3.13Å; T83-Y284 WeakPolarHBondContact CA-OH 3.09Å; T83-Y284 PolarHBondContact N-OH 3.42Å; T83-Y284 PolarHBondContact OG1-OH 2.88Å
84W93.4Very high92.3Very high138 Ų13871.9 Ų71.952%0.52334%0.344SS..Hα-helixtrans-61.6-42.4175.7177.281.5000111.8G80 L81 G82 V86 K87 R88G80-W84 WeakPolarHBondContact O-CB 3.21Å; G80-W84 PolarHBondContact O-N 2.82Å; L81-W84 PolarHBondContact O-N 3.28Å; G82-W84 VanDerWaalsContact C-N 3.34Å; G82-W84 PolarHBondContact O-N 2.97Å; W84-V86 VanDerWaalsContact C-N 3.34Å; W84-V86 PolarHBondContact O-N 2.93Å; W84-K87 PolarHBondContact O-N 2.85Å; W84-R88 HydrophobicContact CH2-CG 4.37Å; W84-R88 HydrophobicContact CZ2-CG 4.27Å; W84-R88 WeakPolarHBondContact O-CB 3.43Å; W84-R88 PolarHBondContact O-N 3.25Å
85Q93.4Very high91.9Very high22 Ų2270.9 Ų70.910%0.10334%0.339CS..Hα-helixtrans-62.5-38.6177.3-68.9-73.8-300112.5L81 G82 T83 R88 R89 H276 I280L81-Q85 VanDerWaalsContact O-CG 3.28Å; L81-Q85 WeakPolarHBondContact O-CG 3.47Å; L81-Q85 PolarHBondContact O-N 3.42Å; G82-Q85 PolarHBondContact O-N 3.37Å; T83-Q85 VanDerWaalsContact C-N 3.35Å; T83-Q85 PolarHBondContact O-N 3.19Å; Q85-R88 PolarHBondContact O-N 3.46Å; Q85-R89 WeakPolarHBondContact O-CB 3.44Å; Q85-R89 PolarHBondContact O-N 2.59Å; Q85-H276 PolarHBondContact OE1-ND1 3.27Å; Q85-I280 HydrophobicContact CB-CD1 4.48Å; Q85-I280 HydrophobicContact CB-CG1 3.64Å
86V91.3Very high91.5Very high44 Ų4471.5 Ų71.527%0.26734%0.342SS..Hα-helixtrans-60.5-54.7174.4175.70000110.6G82 T83 W84 R88 R89 E90 I280 Y284G82-V86 WeakPolarHBondContact O-CG2 3.47Å; G82-V86 PolarHBondContact O-N 2.82Å; G82-V86 VanDerWaalsContact O-N 3.11Å; T83-V86 PolarHBondContact O-N 2.88Å; W84-V86 VanDerWaalsContact C-N 3.34Å; W84-V86 PolarHBondContact O-N 2.93Å; V86-R88 VanDerWaalsContact C-N 3.28Å; V86-R88 PolarHBondContact O-N 3.31Å; V86-R89 WeakPolarHBondContact O-CB 3.35Å; V86-R89 PolarHBondContact O-N 3.23Å; V86-R89 VanDerWaalsContact O-N 3.14Å; V86-E90 PolarHBondContact O-N 3.21Å; V86-I280 HydrophobicContact CB-CD1 4.46Å; V86-I280 HydrophobicContact CG2-CD1 3.81Å; V86-I280 HydrophobicContact CG2-CG1 3.92Å; V86-I280 HydrophobicContact CG2-CG2 4.15Å; V86-Y284 HydrophobicContact CG2-CE2 4.16Å
87K91.4Very high91Very high141 Ų14170 Ų7061%0.61334%0.338SS*.Hα-helixtrans-59.3-40.7179-70.7-176.9176.2-177.80111.9T83 W84 R89 E90 W91T83-K87 PolarHBondContact O-N 3.32Å; T83-K87 VanDerWaalsContact O-N 3.13Å; W84-K87 PolarHBondContact O-N 2.85Å; K87-R89 VanDerWaalsContact C-N 3.35Å; K87-E90 PolarHBondContact O-N 3.38Å; K87-W91 WeakPolarHBondContact O-CB 3.33Å; K87-W91 PolarHBondContact O-N 3.38Å
88R90.1Very high90.7Very high100 Ų10072.2 Ų72.238%0.37734%0.344SS..Hα-helixtrans-63.8-40.8178.2-172.963.5173.8178.4-0.1111.6W84 Q85 V86 K92W84-R88 HydrophobicContact CH2-CG 4.37Å; W84-R88 HydrophobicContact CZ2-CG 4.27Å; W84-R88 WeakPolarHBondContact O-CB 3.43Å; W84-R88 PolarHBondContact O-N 3.25Å; Q85-R88 PolarHBondContact O-N 3.46Å; V86-R88 VanDerWaalsContact C-N 3.28Å; V86-R88 PolarHBondContact O-N 3.31Å; R88-K92 WeakPolarHBondContact O-CB 3.33Å; R88-K92 PolarHBondContact O-N 2.63Å; R88-K92 VanDerWaalsContact O-N 3.08Å
89R88.4Confident90.1Very high72 Ų7273.1 Ų73.127%0.27235%0.348SS..Hα-helixtrans-63.1-47.6175.2-174.3-179.8176.9-87.3-0.1111.5Q85 V86 K87 K92 I93 H276Q85-R89 WeakPolarHBondContact O-CB 3.44Å; Q85-R89 PolarHBondContact O-N 2.59Å; V86-R89 WeakPolarHBondContact O-CB 3.35Å; V86-R89 PolarHBondContact O-N 3.23Å; V86-R89 VanDerWaalsContact O-N 3.14Å; K87-R89 VanDerWaalsContact C-N 3.35Å; R89-K92 WeakPolarHBondContact O-CB 3.06Å; R89-K92 PolarHBondContact O-N 3.04Å; R89-I93 HydrophobicContact CG-CD1 3.9Å; R89-I93 VanDerWaalsContact NH1-CD1 3.33Å; R89-I93 WeakPolarHBondContact O-CG1 3.11Å; R89-I93 PolarHBondContact O-N 3.05Å; R89-H276 HydrophobicContact CB-CB 3.68Å; R89-H276 HydrophobicContact CG-CB 3.85Å
90E89.3Confident89.5Confident102 Ų10274.6 Ų74.648%0.47735%0.35SS..Hα-helixtrans-60.8-47179-72179.4172.400112.2V86 K87 K92 I93 K94V86-E90 PolarHBondContact O-N 3.21Å; K87-E90 PolarHBondContact O-N 3.38Å; E90-K92 VanDerWaalsContact C-N 3.27Å; E90-K92 PolarHBondContact O-N 3.05Å; E90-I93 PolarHBondContact O-N 3.22Å; E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 3.46Å
91W88.8Confident89Confident131 Ų13175.8 Ų75.850%0.49635%0.352SS..Hα-helixtrans-54.9-45.6174.3169.671.8000111.5K87 K94 L95K87-W91 WeakPolarHBondContact O-CB 3.33Å; K87-W91 PolarHBondContact O-N 3.38Å; W91-K94 PolarHBondContact O-N 3.42Å; W91-L95 HydrophobicContact CH2-CD2 4.39Å; W91-L95 HydrophobicContact CZ2-CD2 4.3Å; W91-L95 PolarHBondContact O-N 2.9Å
92K86.4Confident88.5Confident35 Ų3574.9 Ų74.915%0.15235%0.348CS..Hα-helixtrans-64.8-41179.7-170.7175.7-171.7167.50112.6R88 R89 E90 L95 I96 L272 R273R88-K92 WeakPolarHBondContact O-CB 3.33Å; R88-K92 PolarHBondContact O-N 2.63Å; R88-K92 VanDerWaalsContact O-N 3.08Å; R89-K92 WeakPolarHBondContact O-CB 3.06Å; R89-K92 PolarHBondContact O-N 3.04Å; E90-K92 VanDerWaalsContact C-N 3.27Å; E90-K92 PolarHBondContact O-N 3.05Å; K92-L95 PolarHBondContact O-N 3.47Å; K92-I96 HydrophobicContact CG-CD1 4.3Å; K92-I96 VanDerWaalsContact O-CG1 3.3Å; K92-I96 WeakPolarHBondContact O-CG1 3.32Å; K92-I96 PolarHBondContact O-N 3.48Å; K92-L272 HydrophobicContact CD-CB 4.45Å; K92-L272 HydrophobicContact CG-CD1 4.16Å; K92-R273 PolarHBondContact NZ-O 3.25Å
93I86.9Confident87.9Confident68 Ų6876 Ų7635%0.34936%0.355SS..Hα-helixtrans-64.2-43.6177-71.2168.3000110.5R89 E90 L95 I96 A97R89-I93 HydrophobicContact CG-CD1 3.9Å; R89-I93 VanDerWaalsContact NH1-CD1 3.33Å; R89-I93 WeakPolarHBondContact O-CG1 3.11Å; R89-I93 PolarHBondContact O-N 3.05Å; E90-I93 PolarHBondContact O-N 3.22Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.22Å; I93-I96 PolarHBondContact O-N 2.91Å; I93-A97 WeakPolarHBondContact O-CB 3.49Å; I93-A97 PolarHBondContact O-N 2.9Å
94K89.1Confident87.3Confident147 Ų14778.6 Ų78.664%0.63937%0.374SS*.Hα-helixtrans-60-44.5176.2-72177.3-179.6179.30111.6E90 W91 I96 A97 E98E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 3.46Å; W91-K94 PolarHBondContact O-N 3.42Å; K94-I96 PolarHBondContact O-N 3.3Å; K94-A97 WeakPolarHBondContact O-CB 3.26Å; K94-A97 PolarHBondContact O-N 2.91Å; K94-E98 PolarHBondContact O-N 3.44Å
95L86.2Confident87Confident56 Ų5675.1 Ų75.129%0.29337%0.368SS..Hα-helixtrans-61.7-43176.5-176.364.5000112.4W91 K92 I93 A97 E98 L99W91-L95 HydrophobicContact CH2-CD2 4.39Å; W91-L95 HydrophobicContact CZ2-CD2 4.3Å; W91-L95 PolarHBondContact O-N 2.9Å; K92-L95 PolarHBondContact O-N 3.47Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.22Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 2.94Å; L95-E98 PolarHBondContact O-N 2.88Å; L95-L99 HydrophobicContact CG-CD1 4.45Å; L95-L99 WeakPolarHBondContact O-CG 3.29Å; L95-L99 PolarHBondContact O-N 3.29Å
96I84.9Confident86.8Confident22 Ų2281.9 Ų81.911%0.11340%0.4CS..Hα-helixtrans-63.3-41.5175.4-66.6165.1000110.7K92 I93 K94 E98 L99 R100 L272K92-I96 HydrophobicContact CG-CD1 4.3Å; K92-I96 VanDerWaalsContact O-CG1 3.3Å; K92-I96 WeakPolarHBondContact O-CG1 3.32Å; K92-I96 PolarHBondContact O-N 3.48Å; I93-I96 PolarHBondContact O-N 2.91Å; K94-I96 PolarHBondContact O-N 3.3Å; I96-E98 VanDerWaalsContact C-N 3.35Å; I96-L99 PolarHBondContact O-N 3.46Å; I96-R100 HydrophobicContact CG2-CG 4.29Å; I96-R100 WeakPolarHBondContact O-CB 3.25Å; I96-R100 VanDerWaalsContact O-CG 3.28Å; I96-R100 WeakPolarHBondContact O-CG 3.29Å; I96-R100 PolarHBondContact O-N 3.45Å; I96-L272 HydrophobicContact CD1-CB 4.09Å; I96-L272 HydrophobicContact CD1-CD1 4.18Å; I96-L272 HydrophobicContact CG1-CB 4.47Å; I96-L272 HydrophobicContact CG1-CD1 3.75Å; I96-L272 HydrophobicContact CG1-CG 4.47Å
97A86.3Confident86.8Confident55 Ų5582.2 Ų82.246%0.45540%0.403SS..Hα-helixtrans-64.2-40.9179.600000111.8I93 K94 L95 R100 S101I93-A97 WeakPolarHBondContact O-CB 3.49Å; I93-A97 PolarHBondContact O-N 2.9Å; K94-A97 WeakPolarHBondContact O-CB 3.26Å; K94-A97 PolarHBondContact O-N 2.91Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 2.94Å; A97-R100 PolarHBondContact O-N 3.38Å; A97-S101 PolarHBondContact O-N 2.96Å
98E87Confident86.8Confident116 Ų11678.1 Ų78.154%0.54239%0.387SS..Hα-helixtrans-63.4-48.6174-177.5177.2-166.400111.8K94 L95 I96 R100 S101 L102K94-E98 PolarHBondContact O-N 3.44Å; L95-E98 PolarHBondContact O-N 2.88Å; I96-E98 VanDerWaalsContact C-N 3.35Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 3.25Å; E98-S101 PolarHBondContact O-N 2.62Å; E98-S101 PolarHBondContact O-OG 3.1Å; E98-L102 WeakPolarHBondContact O-CG 3.39Å; E98-L102 PolarHBondContact O-N 3.16Å; E98-L102 VanDerWaalsContact O-N 3.13Å
99L84.4Confident86.9Confident28 Ų2878.4 Ų78.415%0.14740%0.402CS..Hα-helixtrans-61.3-41.4176.5-69.2174.5000111.8L95 I96 S101 L102 T103 Y122 V270L95-L99 HydrophobicContact CG-CD1 4.45Å; L95-L99 WeakPolarHBondContact O-CG 3.29Å; L95-L99 PolarHBondContact O-N 3.29Å; I96-L99 PolarHBondContact O-N 3.46Å; L99-S101 PolarHBondContact O-N 3.22Å; L99-L102 PolarHBondContact O-N 3.25Å; L99-T103 WeakPolarHBondContact O-CG2 3.41Å; L99-T103 PolarHBondContact O-N 3.22Å; L99-T103 PolarHBondContact O-OG1 2.67Å; L99-T103 VanDerWaalsContact O-OG1 3.09Å; L99-Y122 HydrophobicContact CD2-CD1 4.14Å; L99-Y122 HydrophobicContact CD2-CD2 3.5Å; L99-Y122 VanDerWaalsContact CD2-CD2 3.5Å; L99-Y122 HydrophobicContact CD2-CE1 4.36Å; L99-Y122 HydrophobicContact CD2-CE2 3.77Å; L99-Y122 HydrophobicContact CD2-CG 3.71Å; L99-V270 HydrophobicContact CB-CG1 3.69Å
100R83.4Confident86.9Confident143 Ų14375.3 Ų75.354%0.5439%0.391SS..Hα-helixtrans-60.4-45.1175.9-79.7178.9177.9178.8-3111.7I96 A97 E98 L102 T103 S104 V270I96-R100 HydrophobicContact CG2-CG 4.29Å; I96-R100 WeakPolarHBondContact O-CB 3.25Å; I96-R100 VanDerWaalsContact O-CG 3.28Å; I96-R100 WeakPolarHBondContact O-CG 3.29Å; I96-R100 PolarHBondContact O-N 3.45Å; A97-R100 PolarHBondContact O-N 3.38Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 3.25Å; R100-L102 VanDerWaalsContact C-N 3.33Å; R100-L102 PolarHBondContact O-N 2.86Å; R100-T103 WeakPolarHBondContact CA-OG1 3.24Å; R100-T103 CarbonylContact O-C 3.58Å; R100-T103 PolarHBondContact O-N 3.22Å; R100-T103 PolarHBondContact O-OG1 2.9Å; R100-S104 WeakPolarHBondContact O-CB 3.21Å; R100-S104 PolarHBondContact O-N 2.83Å; R100-S104 PolarHBondContact O-OG 3.36Å; R100-S104 VanDerWaalsContact O-OG 3.06Å; R100-V270 HydrophobicContact CG-CG1 4.01Å
101S84.8Confident86.7Confident63 Ų6371.4 Ų71.444%0.44137%0.374SS..Hα-helixtrans-60.2-45.2179.671.50000111A97 E98 L99 T103 S104 V105A97-S101 PolarHBondContact O-N 2.96Å; E98-S101 PolarHBondContact O-N 2.62Å; E98-S101 PolarHBondContact O-OG 3.1Å; L99-S101 PolarHBondContact O-N 3.22Å; S101-T103 VanDerWaalsContact C-N 3.32Å; S101-T103 PolarHBondContact O-N 2.89Å; S101-S104 PolarHBondContact O-N 2.99Å; S101-S104 VanDerWaalsContact O-N 3.09Å; S101-V105 WeakPolarHBondContact O-CG2 3.3Å; S101-V105 PolarHBondContact O-N 3.03Å
102L83.9Confident85.9Confident50 Ų5071 Ų7126%0.26238%0.38SS..Hα-helixtrans-59.8-40.4176.3-62.7173.6000112.6E98 L99 R100 S104 Y122E98-L102 WeakPolarHBondContact O-CG 3.39Å; E98-L102 PolarHBondContact O-N 3.16Å; E98-L102 VanDerWaalsContact O-N 3.13Å; L99-L102 PolarHBondContact O-N 3.25Å; R100-L102 VanDerWaalsContact C-N 3.33Å; R100-L102 PolarHBondContact O-N 2.86Å; L102-S104 VanDerWaalsContact C-N 3.29Å; L102-S104 PolarHBondContact O-N 3.39Å; L102-Y122 CarbonylContact C-O 3.42Å
103T82.3Confident85.6Confident24 Ų2472.9 Ų72.915%0.14739%0.392CS..THydrogen-bonded Turntrans-80.7-1.9177.759.40000114.5L99 R100 S101 Y122 R124 V211 V270L99-T103 WeakPolarHBondContact O-CG2 3.41Å; L99-T103 PolarHBondContact O-N 3.22Å; L99-T103 PolarHBondContact O-OG1 2.67Å; L99-T103 VanDerWaalsContact O-OG1 3.09Å; R100-T103 WeakPolarHBondContact CA-OG1 3.24Å; R100-T103 CarbonylContact O-C 3.58Å; R100-T103 PolarHBondContact O-N 3.22Å; R100-T103 PolarHBondContact O-OG1 2.9Å; S101-T103 VanDerWaalsContact C-N 3.32Å; S101-T103 PolarHBondContact O-N 2.89Å; T103-Y122 WeakPolarHBondContact CG2-O 3.29Å; T103-R124 WeakPolarHBondContact O-CD 3.47Å; T103-V211 HydrophobicContact CG2-CG1 4.45Å; T103-V270 HydrophobicContact CG2-CG2 4.23Å
104S82.4Confident85Confident94 Ų9474 Ų7466%0.65740%0.404SS*.THydrogen-bonded Turntrans-111.8-9.5177.9-650000113.3R100 S101 L102R100-S104 WeakPolarHBondContact O-CB 3.21Å; R100-S104 PolarHBondContact O-N 2.83Å; R100-S104 PolarHBondContact O-OG 3.36Å; R100-S104 VanDerWaalsContact O-OG 3.06Å; S101-S104 PolarHBondContact O-N 2.99Å; S101-S104 VanDerWaalsContact O-N 3.09Å; L102-S104 VanDerWaalsContact C-N 3.29Å; L102-S104 PolarHBondContact O-N 3.39Å
105V85.8Confident84.3Confident64 Ų6473 Ų7339%0.38841%0.405SS..SBendtrans-65.7150.4175.2-172.80000110.6S101 R124S101-V105 WeakPolarHBondContact O-CG2 3.3Å; S101-V105 PolarHBondContact O-N 3.03Å; V105-R124 WeakPolarHBondContact O-CD 3.49Å
106E88.8Confident84.2Confident165 Ų16575.4 Ų75.477%0.77141%0.414SS*.PPolyproline II helixtrans-51.7138.9171.7-70.9-172.5171.400111.9I108E106-I108 PolarHBondContact O-N 3.44Å
107P91.3Very high84.1Confident51 Ų5174.8 Ų74.833%0.33141%0.411SS..PPolyproline II helixtrans-63134178.8-19.331.4000111.7R124 K126 V209P107-R124 WeakPolarHBondContact CA-O 3.44Å; P107-R124 HydrophobicContact CB-CB 4.22Å; P107-R124 HydrophobicContact CG-CB 4.28Å; P107-K126 HydrophobicContact CB-CB 4.09Å; P107-V209 HydrophobicContact CB-CG1 4.08Å; P107-V209 HydrophobicContact CG-CG1 3.61Å; P107-V209 HydrophobicContact CG-CG2 4.3Å
108I91.7Very high84Confident54 Ų5476.7 Ų76.728%0.27741%0.414SS..EExtended strand (participates in β ladder)trans-95.1157.6170.662.9172.6000110.3E106 L120 R124 V125 K126E106-I108 PolarHBondContact O-N 3.44Å; I108-L120 HydrophobicContact CD1-CD1 4.08Å; I108-L120 HydrophobicContact CD1-CD2 3.97Å; I108-R124 PolarHBondContact N-O 3.46Å; I108-R124 VanDerWaalsContact N-O 3.11Å; I108-V125 HydrophobicContact CG1-CG1 4.01Å; I108-V125 CarbonylContact O-C 3.5Å; I108-V125 WeakPolarHBondContact O-CA 3.45Å; I108-K126 PolarHBondContact O-N 2.79Å
109P92.1Very high84Confident106 Ų10677.7 Ų77.769%0.68842%0.423SS*.EExtended strand (participates in β ladder)trans-59.5145.1166.926.2-34.3000110.2P111P109-P111 WeakPolarHBondContact O-CD 3.4Å
110L88.4Confident84.1Confident8 Ų877.3 Ų77.34%0.04242%0.421CS..PPolyproline II helixtrans-64.7121.1176.3178.271.3000109.7L117 V125 V127 L176 I180 V212 I249 I251L110-L117 HydrophobicContact CD1-CD1 3.82Å; L110-V125 HydrophobicContact CB-CB 4.49Å; L110-V125 HydrophobicContact CD1-CG1 4.42Å; L110-V125 HydrophobicContact CD1-CG2 4.32Å; L110-V127 HydrophobicContact CB-CG1 3.52Å; L110-V127 HydrophobicContact CD2-CG1 3.75Å; L110-V127 HydrophobicContact CG-CG1 4.25Å; L110-L176 HydrophobicContact CB-CD1 4.13Å; L110-L176 HydrophobicContact CD2-CD1 3.79Å; L110-L176 HydrophobicContact CG-CD1 4.16Å; L110-I180 HydrophobicContact CD2-CD1 4.06Å; L110-I180 HydrophobicContact CD2-CG2 4.27Å; L110-V212 HydrophobicContact CD1-CG2 4.49Å; L110-I249 HydrophobicContact CD1-CG2 3.98Å; L110-I249 HydrophobicContact CD2-CD1 4.47Å; L110-I249 HydrophobicContact CD2-CG2 4.03Å; L110-I251 HydrophobicContact CD1-CD1 4.37Å; L110-I251 HydrophobicContact CD2-CD1 4.44Å
111P85.4Confident84.4Confident20 Ų2073.6 Ų73.613%0.1341%0.41CS..PPolyproline II helixtrans-71.9153.1174.930.8-36.7000111.3P109 E116 L120P109-P111 WeakPolarHBondContact O-CD 3.4Å; P111-E116 HydrophobicContact CB-CB 4.33Å; P111-E116 VanDerWaalsContact CB-OE2 3.29Å; P111-E116 WeakPolarHBondContact CB-OE2 3.37Å; P111-E116 HydrophobicContact CG-CB 4.27Å; P111-L120 HydrophobicContact CG-CD1 3.44Å; P111-L120 VanDerWaalsContact CG-CD1 3.44Å
112I73.1Confident84.6Confident122 Ų12272.7 Ų72.763%0.62640%0.397SS*.SBendtrans-82.7-27.9179.3-60.1166.6000111P114 L176I112-P114 WeakPolarHBondContact O-CD 3.36Å; I112-L176 HydrophobicContact CD1-CD2 3.95Å; I112-L176 HydrophobicContact CG1-CD2 3.72Å
113D79.8Confident85Confident74 Ų7473.3 Ų73.340%0.39640%0.396SS..  trans-76.2120.2-175.8-176.613.8000112.2L115 E116 L117D113-L115 PolarHBondContact O-N 2.84Å; D113-L115 PolarHBondContact OD1-N 3.22Å; D113-L115 WeakPolarHBondContact OD2-CB 3.43Å; D113-E116 HydrophobicContact CB-CB 4.27Å; D113-E116 HydrophobicContact CB-CG 4.03Å; D113-E116 PolarHBondContact O-N 3.46Å; D113-L117 PolarHBondContact O-N 2.77Å
114P72.9Confident85.5Confident91 Ų9174.6 Ų74.659%0.59140%0.398SS*.Hα-helixtrans-58.4-28.9174.6-24.334.7000113.9I112 L117 N118I112-P114 WeakPolarHBondContact O-CD 3.36Å; P114-L117 PolarHBondContact O-N 3.03Å; P114-N118 PolarHBondContact O-N 2.98Å; P114-N118 PolarHBondContact O-ND2 3.28Å
115L75.8Confident86Confident126 Ų12670.1 Ų70.166%0.6637%0.367SS*.Hα-helixtrans-69.5-40.3-180-137.294.4000111.4D113 L117D113-L115 PolarHBondContact O-N 2.84Å; D113-L115 PolarHBondContact OD1-N 3.22Å; D113-L115 WeakPolarHBondContact OD2-CB 3.43Å; L115-L117 VanDerWaalsContact C-N 3.32Å
116E83.4Confident86.5Confident107 Ų10771.2 Ų71.250%0.537%0.366SS..Hα-helixtrans-64.4-39.3173.5-67.8-174176.900111.1P111 D113 N118 N119 L120P111-E116 HydrophobicContact CB-CB 4.33Å; P111-E116 VanDerWaalsContact CB-OE2 3.29Å; P111-E116 WeakPolarHBondContact CB-OE2 3.37Å; P111-E116 HydrophobicContact CG-CB 4.27Å; D113-E116 HydrophobicContact CB-CB 4.27Å; D113-E116 HydrophobicContact CB-CG 4.03Å; D113-E116 PolarHBondContact O-N 3.46Å; E116-N118 VanDerWaalsContact C-N 3.29Å; E116-N118 PolarHBondContact O-N 3.27Å; E116-N119 PolarHBondContact O-N 3Å; E116-L120 WeakPolarHBondContact O-CG 3.49Å; E116-L120 PolarHBondContact O-N 2.73Å
117L83.3Confident86.8Confident10 Ų1063.7 Ų63.75%0.05233%0.331CS..Hα-helixtrans-60.4-35.7-178.6-164.772000113.4L110 D113 P114 L115 N119 L120 V212 I249L110-L117 HydrophobicContact CD1-CD1 3.82Å; D113-L117 PolarHBondContact O-N 2.77Å; P114-L117 PolarHBondContact O-N 3.03Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L117-N119 PolarHBondContact O-N 3.18Å; L117-L120 PolarHBondContact O-N 3.01Å; L117-V212 HydrophobicContact CD1-CG1 3.69Å; L117-V212 HydrophobicContact CD1-CG2 4.02Å; L117-V212 HydrophobicContact CG-CG1 4Å; L117-I249 HydrophobicContact CD1-CG2 4.37Å; L117-I249 HydrophobicContact CD2-CB 4.08Å; L117-I249 HydrophobicContact CD2-CD1 4.35Å; L117-I249 HydrophobicContact CD2-CG1 3.72Å; L117-I249 HydrophobicContact CD2-CG2 3.9Å
118N84.1Confident87Confident95 Ų9566.1 Ų66.151%0.50833%0.334SS..Hα-helixtrans-62-28.3176.2-74.9-47.7000113P114 E116 L120P114-N118 PolarHBondContact O-N 2.98Å; P114-N118 PolarHBondContact O-ND2 3.28Å; E116-N118 VanDerWaalsContact C-N 3.29Å; E116-N118 PolarHBondContact O-N 3.27Å; N118-L120 VanDerWaalsContact C-N 3.3Å
119N85.8Confident87.2Confident137 Ų13763.6 Ų63.673%0.73332%0.321SS*.THydrogen-bonded Turntrans-86.6-3.3176.8-62.9-42.8000112.9E116 L117E116-N119 PolarHBondContact O-N 3Å; L117-N119 PolarHBondContact O-N 3.18Å
120L87.1Confident87.4Confident19 Ų1962.1 Ų62.110%0.09931%0.305CS..THydrogen-bonded Turntrans-103.312-177.2-65.6-179.3000113.4I108 P111 E116 L117 N118 Y122 R123 V212I108-L120 HydrophobicContact CD1-CD1 4.08Å; I108-L120 HydrophobicContact CD1-CD2 3.97Å; P111-L120 HydrophobicContact CG-CD1 3.44Å; P111-L120 VanDerWaalsContact CG-CD1 3.44Å; E116-L120 WeakPolarHBondContact O-CG 3.49Å; E116-L120 PolarHBondContact O-N 2.73Å; L117-L120 PolarHBondContact O-N 3.01Å; N118-L120 VanDerWaalsContact C-N 3.3Å; L120-Y122 PolarHBondContact O-N 3.49Å; L120-R123 HydrophobicContact CB-CB 4.12Å; L120-R123 HydrophobicContact CB-CG 4.3Å; L120-R123 HydrophobicContact CD2-CB 4.08Å; L120-R123 HydrophobicContact CD2-CG 3.81Å; L120-R123 VanDerWaalsContact O-CB 3.25Å; L120-R123 WeakPolarHBondContact O-CB 3.4Å; L120-R123 PolarHBondContact O-N 3.29Å; L120-V212 HydrophobicContact CB-CB 4.5Å; L120-V212 HydrophobicContact CB-CG1 4.41Å; L120-V212 WeakPolarHBondContact O-CB 3.27Å
121E89.7Confident87.8Confident65 Ų6562.2 Ų62.230%0.30431%0.305SS..THydrogen-bonded Turntrans-54.9130.3174.5-158.9-175.2-176.400110.5R123 R213 L214E121-R123 PolarHBondContact O-N 3.01Å; E121-R213 IonicContact OE1-NE 3.13Å; E121-L214 HydrophobicContact CB-CD1 4.11Å; E121-L214 HydrophobicContact CB-CG 4.1Å; E121-L214 HydrophobicContact CG-CD1 4.37Å; E121-L214 HydrophobicContact CG-CG 4.04Å
122Y89.4Confident88.3Confident44 Ų4463.8 Ų63.817%0.17331%0.312CS..THydrogen-bonded Turntrans71.41.4-173.7-53.9-82.5000116.4L99 L102 T103 L120 V211 V212 R213 T268L99-Y122 HydrophobicContact CD2-CD1 4.14Å; L99-Y122 HydrophobicContact CD2-CD2 3.5Å; L99-Y122 VanDerWaalsContact CD2-CD2 3.5Å; L99-Y122 HydrophobicContact CD2-CE1 4.36Å; L99-Y122 HydrophobicContact CD2-CE2 3.77Å; L99-Y122 HydrophobicContact CD2-CG 3.71Å; L102-Y122 CarbonylContact C-O 3.42Å; T103-Y122 WeakPolarHBondContact CG2-O 3.29Å; L120-Y122 PolarHBondContact O-N 3.49Å; Y122-V211 VanDerWaalsContact CA-CG1 3.45Å; Y122-V212 PolarHBondContact N-O 2.79Å; Y122-R213 PolarHBondContact OH-NH2 3.49Å; Y122-T268 HydrophobicContact CD1-CG2 4.27Å; Y122-T268 HydrophobicContact CE1-CG2 4.34Å
123R91.4Very high89.3Confident63 Ų6359.4 Ų59.424%0.23829%0.289CS..  trans-80.1143.5172.5-66.7-65.7-59.7-86.8-1.6111.5L120 E121 V211 V212L120-R123 HydrophobicContact CB-CB 4.12Å; L120-R123 HydrophobicContact CB-CG 4.3Å; L120-R123 HydrophobicContact CD2-CB 4.08Å; L120-R123 HydrophobicContact CD2-CG 3.81Å; L120-R123 VanDerWaalsContact O-CB 3.25Å; L120-R123 WeakPolarHBondContact O-CB 3.4Å; L120-R123 PolarHBondContact O-N 3.29Å; E121-R123 PolarHBondContact O-N 3.01Å; R123-V211 WeakPolarHBondContact O-CA 3.46Å; R123-V212 PolarHBondContact O-N 3.25Å
124R93Very high90Very high52 Ų5260.8 Ų60.820%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-78.2131.5173.3-72.6174.462.9116.910.5110.4T103 V105 P107 I108 G210 V211 D254T103-R124 WeakPolarHBondContact O-CD 3.47Å; V105-R124 WeakPolarHBondContact O-CD 3.49Å; P107-R124 WeakPolarHBondContact CA-O 3.44Å; P107-R124 HydrophobicContact CB-CB 4.22Å; P107-R124 HydrophobicContact CG-CB 4.28Å; I108-R124 PolarHBondContact N-O 3.46Å; I108-R124 VanDerWaalsContact N-O 3.11Å; R124-G210 CarbonylContact C-O 3.56Å; R124-G210 WeakPolarHBondContact CA-O 3.34Å; R124-V211 HydrophobicContact CG-CG2 4.21Å; R124-D254 IonicContact CZ-OD2 3.62Å; R124-D254 IonicContact NH1-OD2 2.8Å; R124-D254 PolarHBondContact NH1-OD2 2.9Å; R124-D254 IonicContact NH2-OD2 3.72Å; R124-D254 PolarHBondContact NH2-OD2 3.11Å
125V93.8Very high91Very high0 Ų059.8 Ų59.80%029%0.292CS..EExtended strand (participates in β ladder)trans-127.4153.4174.9-630000110.7I108 L110 V209 G210 V212 I251I108-V125 HydrophobicContact CG1-CG1 4.01Å; I108-V125 CarbonylContact O-C 3.5Å; I108-V125 WeakPolarHBondContact O-CA 3.45Å; L110-V125 HydrophobicContact CB-CB 4.49Å; L110-V125 HydrophobicContact CD1-CG1 4.42Å; L110-V125 HydrophobicContact CD1-CG2 4.32Å; V125-V209 WeakPolarHBondContact O-CA 3.37Å; V125-G210 PolarHBondContact N-O 2.92Å; V125-G210 PolarHBondContact O-N 3.07Å; V125-V212 HydrophobicContact CB-CG2 4.3Å; V125-V212 HydrophobicContact CG1-CG2 3.58Å; V125-V212 HydrophobicContact CG2-CG2 3.69Å; V125-I251 HydrophobicContact CG2-CD1 3.54Å; V125-I251 HydrophobicContact CG2-CG1 4.02Å; V125-I251 HydrophobicContact CG2-CG2 4.29Å
126K95.2Very high92Very high87 Ų8754.1 Ų54.138%0.37826%0.262SS..EExtended strand (participates in β ladder)trans-116.4135.4173.4-173178.2-179.3-1760109.8P107 I108 D207 L208 V209P107-K126 HydrophobicContact CB-CB 4.09Å; I108-K126 PolarHBondContact O-N 2.79Å; K126-D207 WeakPolarHBondContact CE-OD2 3.19Å; K126-D207 IonicContact NZ-OD2 3.78Å; K126-D207 PolarHBondContact NZ-OD2 2.81Å; K126-L208 WeakPolarHBondContact CA-O 3.44Å; K126-V209 HydrophobicContact CB-CG2 4.33Å; K126-V209 HydrophobicContact CD-CG2 4.48Å; K126-V209 HydrophobicContact CG-CG2 4.1Å
127V95.1Very high92.6Very high6 Ų649.2 Ų49.24%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-138.3151.9173.5-64.10000110L110 F171 I180 L208 I251L110-V127 HydrophobicContact CB-CG1 3.52Å; L110-V127 HydrophobicContact CD2-CG1 3.75Å; L110-V127 HydrophobicContact CG-CG1 4.25Å; V127-F171 HydrophobicContact CB-CE1 4.26Å; V127-F171 HydrophobicContact CG2-CD1 4.13Å; V127-F171 HydrophobicContact CG2-CE1 3.64Å; V127-F171 HydrophobicContact CG2-CZ 4.43Å; V127-I180 HydrophobicContact CG1-CD1 4.48Å; V127-I180 HydrophobicContact CG2-CD1 4.35Å; V127-L208 HydrophobicContact CG2-CB 3.93Å; V127-L208 HydrophobicContact CG2-CD2 3.9Å; V127-L208 HydrophobicContact CG2-CG 4.17Å; V127-L208 PolarHBondContact N-O 3.24Å; V127-L208 PolarHBondContact O-N 2.94Å; V127-I251 HydrophobicContact CG1-CD1 4.34Å; V127-I251 HydrophobicContact CG2-CD1 4.41Å
128R96.1Very high93.3Very high103 Ų10350.1 Ų50.139%0.38924%0.242SC..EExtended strand (participates in β ladder)trans-118142.9172.4-179.6179-67.5177.4-1.6110.3C173 S174 D175 E205 V206 D207R128-C173 CarbonylContact O-C 3.51Å; R128-C173 WeakPolarHBondContact O-CA 3.12Å; R128-S174 PolarHBondContact O-N 2.97Å; R128-D175 WeakPolarHBondContact CB-OD2 3.05Å; R128-E205 HydrophobicContact CG-CG 3.76Å; R128-E205 WeakPolarHBondContact CG-OE1 3.36Å; R128-V206 WeakPolarHBondContact CA-O 3.49Å; R128-D207 IonicContact CZ-OD1 3.17Å; R128-D207 IonicContact NE-OD1 3.02Å; R128-D207 PolarHBondContact NE-OD1 2.78Å; R128-D207 IonicContact NH2-OD1 2.7Å; R128-D207 PolarHBondContact NH2-OD1 3.35Å; R128-D207 IonicContact NH2-OD2 2.81Å; R128-D207 PolarHBondContact NH2-OD2 3.12Å
129G96.1Very high93.9Very high0 Ų045.8 Ų45.80%022%0.218CC..EExtended strand (participates in β ladder)trans162.6-167-174.500000113.9F171 Y172 E205 V206G129-F171 VanDerWaalsContact N-CZ 3.29Å; G129-F171 WeakPolarHBondContact O-CE2 3.28Å; G129-F171 WeakPolarHBondContact O-CZ 3.33Å; G129-Y172 WeakPolarHBondContact CA-O 3.37Å; G129-E205 CarbonylContact O-C 3.58Å; G129-E205 WeakPolarHBondContact O-CA 3.49Å; G129-V206 PolarHBondContact N-O 3.42Å; G129-V206 PolarHBondContact O-N 3.18Å
130H96.4Very high94.3Very high75 Ų7540.5 Ų40.535%0.34719%0.19SC..EExtended strand (participates in β ladder)trans-129.3156.8179.558.8-90.5000111.4F171 Y172H130-F171 WeakPolarHBondContact O-CA 3.5Å; H130-F171 WeakPolarHBondContact O-CD2 3.43Å; H130-Y172 AromaticContact CE1-CD1 3.36Å; H130-Y172 WeakPolarHBondContact CE1-CD1 3.4Å; H130-Y172 AromaticContact CE1-CG 3.88Å; H130-Y172 PolarHBondContact N-O 3.17Å; H130-Y172 AromaticContact ND1-CD1 3.98Å; H130-Y172 PolarHBondContact O-N 2.91Å
131Y96.5Very high94.5Very high11 Ų1144 Ų444%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-87.4139.5179.8-68.9-75.2000111.5H133 T169 F171 V182 R184 V202 V206 I259Y131-H133 VanDerWaalsContact CB-CE1 3.44Å; Y131-H133 WeakPolarHBondContact CB-CE1 3.26Å; Y131-H133 AromaticContact CG-CE1 3.95Å; Y131-H133 PolarHBondContact O-N 3.31Å; Y131-T169 HydrophobicContact CD1-CG2 3.93Å; Y131-T169 HydrophobicContact CG-CG2 4.37Å; Y131-F171 HydrophobicContact CD1-CB 4.33Å; Y131-F171 AromaticContact CD1-CD2 3.59Å; Y131-F171 HydrophobicContact CD1-CD2 3.59Å; Y131-F171 HydrophobicContact CD1-CE2 4.42Å; Y131-F171 HydrophobicContact CD1-CG 4.44Å; Y131-F171 HydrophobicContact CD2-CD2 4.28Å; Y131-F171 HydrophobicContact CD2-CE2 4.38Å; Y131-F171 HydrophobicContact CE1-CB 4.47Å; Y131-F171 AromaticContact CE1-CD2 3.6Å; Y131-F171 HydrophobicContact CE1-CD2 3.6Å; Y131-F171 HydrophobicContact CE1-CE2 4.24Å; Y131-F171 HydrophobicContact CE1-CG 4.4Å; Y131-F171 HydrophobicContact CE2-CD2 4.29Å; Y131-F171 HydrophobicContact CE2-CE2 4.21Å; Y131-F171 AromaticContact CG-CD2 3.94Å; Y131-F171 HydrophobicContact CG-CD2 3.94Å; Y131-F171 HydrophobicContact CG-CE2 4.48Å; Y131-F171 AromaticContact CZ-CD2 3.95Å; Y131-V182 HydrophobicContact CE1-CB 4.13Å; Y131-V182 HydrophobicContact CE1-CG1 4Å; Y131-R184 HydrophobicContact CD1-CG 4.28Å; Y131-R184 HydrophobicContact CE1-CG 3.67Å; Y131-V202 HydrophobicContact CD2-CG2 4.31Å; Y131-V206 HydrophobicContact CD2-CG2 4.29Å; Y131-V206 HydrophobicContact CE2-CG2 3.71Å; Y131-I259 HydrophobicContact CE2-CD1 4.01Å
132D96.1Very high94.5Very high52 Ų5244.4 Ų44.428%0.27821%0.213SC..  trans-91.590.8163.8-179.22.4000109.8S134 Q135 T169 P170D132-S134 PolarHBondContact O-N 2.84Å; D132-S134 WeakPolarHBondContact OD1-CB 3.32Å; D132-S134 PolarHBondContact OD1-N 3.47Å; D132-S134 PolarHBondContact OD1-OG 2.93Å; D132-Q135 PolarHBondContact O-N 2.71Å; D132-Q135 PolarHBondContact OD2-NE2 2.93Å; D132-T169 WeakPolarHBondContact O-CG2 3.26Å; D132-P170 HydrophobicContact CB-CB 4.27Å; D132-P170 PolarHBondContact N-O 2.84Å
133H94.9Very high94.5Very high30 Ų3045.1 Ų45.114%0.13923%0.225CC..G310 helixtrans-68-10.9179.8-68.1-53.4000114.3Y131 Q135 E136 R184 Q201 V202 D203Y131-H133 VanDerWaalsContact CB-CE1 3.44Å; Y131-H133 WeakPolarHBondContact CB-CE1 3.26Å; Y131-H133 AromaticContact CG-CE1 3.95Å; Y131-H133 PolarHBondContact O-N 3.31Å; H133-Q135 VanDerWaalsContact C-N 3.31Å; H133-E136 IonicContact CE1-OE1 3.16Å; H133-E136 IonicContact CG-OE1 2.73Å; H133-E136 IonicContact ND1-OE1 3.06Å; H133-E136 PolarHBondContact ND1-OE1 3.31Å; H133-R184 PolarHBondContact CE1-NH1 2.88Å; H133-R184 PolarHBondContact ND1-NH1 2.88Å; H133-Q201 PolarHBondContact CE1-OE1 3.05Å; H133-Q201 PolarHBondContact ND1-OE1 3Å; H133-V202 PolarHBondContact NE2-N 3.18Å; H133-V202 PolarHBondContact NE2-O 2.83Å; H133-D203 IonicContact CD2-OD1 3.2Å
134S93.9Very high94.3Very high104 Ų10443.8 Ų43.873%0.72722%0.224SC*.G310 helixtrans-75.4-23.3178.676.20000112.7D132D132-S134 PolarHBondContact O-N 2.84Å; D132-S134 WeakPolarHBondContact OD1-CB 3.32Å; D132-S134 PolarHBondContact OD1-N 3.47Å; D132-S134 PolarHBondContact OD1-OG 2.93Å
135Q94.7Very high93.8Very high69 Ų6942.7 Ų42.732%0.32222%0.223SC..G310 helixtrans-114.631.8-173.8-63-167.887.400113.1D132 H133 M137 P170 T244D132-Q135 PolarHBondContact O-N 2.71Å; D132-Q135 PolarHBondContact OD2-NE2 2.93Å; H133-Q135 VanDerWaalsContact C-N 3.31Å; Q135-M137 PolarHBondContact O-N 2.86Å; Q135-P170 HydrophobicContact CB-CG 3.83Å; Q135-P170 VanDerWaalsContact O-CD 3.28Å; Q135-P170 WeakPolarHBondContact O-CD 3.16Å; Q135-T244 HydrophobicContact CB-CG2 4.34Å
136E95.8Very high93.1Very high7 Ų746 Ų463%0.03324%0.241CC..  trans-64.1136.2177.4-67.8-171.8162.300112.1H133 Y138 V167 V168 T169 R184 R197 Q201 N230H133-E136 IonicContact CE1-OE1 3.16Å; H133-E136 IonicContact CG-OE1 2.73Å; H133-E136 IonicContact ND1-OE1 3.06Å; H133-E136 PolarHBondContact ND1-OE1 3.31Å; E136-Y138 PolarHBondContact OE2-OH 3.35Å; E136-V167 HydrophobicContact CB-CG1 4.32Å; E136-V167 HydrophobicContact CG-CG1 4.33Å; E136-V168 CarbonylContact C-O 3.53Å; E136-V168 WeakPolarHBondContact CA-O 3.34Å; E136-T169 HydrophobicContact CG-CG2 3.84Å; E136-T169 WeakPolarHBondContact CG-OG1 3.39Å; E136-R184 IonicContact OE1-NH1 2.83Å; E136-R184 PolarHBondContact OE1-NH1 3.45Å; E136-R184 VanDerWaalsContact OE1-NH1 3.17Å; E136-R197 IonicContact OE1-NH1 3.37Å; E136-R197 PolarHBondContact OE1-NH1 2.86Å; E136-R197 VanDerWaalsContact OE1-NH1 3.08Å; E136-R197 IonicContact OE2-CZ 2.73Å; E136-R197 IonicContact OE2-NH1 3.52Å; E136-R197 PolarHBondContact OE2-NH1 3.18Å; E136-R197 IonicContact OE2-NH2 3.58Å; E136-R197 PolarHBondContact OE2-NH2 2.78Å; E136-Q201 PolarHBondContact OE1-NE2 3.4Å; E136-Q201 PolarHBondContact OE1-OE1 3.18Å; E136-Q201 PolarHBondContact OE2-NE2 3.48Å; E136-N230 PolarHBondContact O-ND2 3Å
137M97.1Very high91.8Very high4 Ų446.1 Ų46.12%0.0225%0.25CS..EExtended strand (participates in β ladder)trans-115.7144.8177.8-67.7175.3-74.700111.3Q135 V168 L181 N230 W232 M240 T244Q135-M137 PolarHBondContact O-N 2.86Å; M137-V168 HydrophobicContact CB-CB 4.22Å; M137-V168 HydrophobicContact CE-CG1 4Å; M137-V168 PolarHBondContact N-O 3.19Å; M137-V168 PolarHBondContact O-N 2.92Å; M137-L181 HydrophobicContact CE-CD2 3.55Å; M137-N230 VanDerWaalsContact CA-OD1 3.3Å; M137-N230 WeakPolarHBondContact CA-OD1 3.36Å; M137-W232 HydrophobicContact CG-CZ2 4.32Å; M137-W232 HydrophobicContact SD-CH2 4.32Å; M137-W232 HydrophobicContact SD-CZ2 3.61Å; M137-M240 HydrophobicContact CE-CB 4.02Å; M137-M240 HydrophobicContact CE-CG 4.2Å; M137-M240 HydrophobicContact SD-CB 3.98Å; M137-M240 HydrophobicContact SD-CG 3.79Å; M137-T244 HydrophobicContact CE-CG2 3.55Å; M137-T244 HydrophobicContact SD-CG2 4.01Å
138Y97.1Very high90.6Very high30 Ų3052 Ų5212%0.11828%0.277CS..EExtended strand (participates in β ladder)trans-116.8114.8-174.5-53.7-71.2000111.9E136 L140 V167 I192 P194 R197 W232E136-Y138 PolarHBondContact OE2-OH 3.35Å; Y138-L140 WeakPolarHBondContact O-CD2 3.07Å; Y138-V167 HydrophobicContact CD1-CG2 4.2Å; Y138-V167 HydrophobicContact CE1-CG1 4.23Å; Y138-V167 HydrophobicContact CE1-CG2 4.18Å; Y138-I192 HydrophobicContact CD1-CG2 3.69Å; Y138-I192 HydrophobicContact CD2-CG2 4.39Å; Y138-I192 HydrophobicContact CE1-CG2 3.84Å; Y138-I192 WeakPolarHBondContact CE1-O 3.42Å; Y138-I192 HydrophobicContact CG-CG2 3.97Å; Y138-P194 WeakPolarHBondContact OH-CD 3.35Å; Y138-P194 WeakPolarHBondContact OH-CG 3.47Å; Y138-R197 PolarHBondContact OH-NH2 2.87Å; Y138-W232 WeakPolarHBondContact O-CB 3.24Å; Y138-W232 PolarHBondContact O-N 2.91Å
139I96.3Very high89.5Confident3 Ų349.3 Ų49.32%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-91.4115.8171.2-52.6176000109.1R142 A165 N166 V168 W232 R235 M240I139-R142 HydrophobicContact CG2-CG 4.4Å; I139-R142 VanDerWaalsContact O-CG 3.29Å; I139-R142 WeakPolarHBondContact O-CG 3.43Å; I139-A165 CarbonylContact O-C 3.48Å; I139-A165 VanDerWaalsContact O-CA 3.25Å; I139-A165 WeakPolarHBondContact O-CA 3.32Å; I139-N166 HydrophobicContact CB-CB 4.33Å; I139-N166 PolarHBondContact N-O 3.36Å; I139-N166 PolarHBondContact O-N 3.21Å; I139-V168 HydrophobicContact CD1-CG2 3.69Å; I139-V168 HydrophobicContact CG1-CG2 4.03Å; I139-W232 CarbonylContact C-O 3.53Å; I139-W232 VanDerWaalsContact CA-O 3.26Å; I139-W232 WeakPolarHBondContact CA-O 3.29Å; I139-W232 HydrophobicContact CB-CB 4.45Å; I139-W232 HydrophobicContact CG1-CB 3.95Å; I139-R235 HydrophobicContact CD1-CB 4.42Å; I139-M240 HydrophobicContact CD1-CE 4.03Å; I139-M240 HydrophobicContact CG1-CE 4.09Å
140L94.2Very high88.4Confident26 Ų2650.9 Ų50.914%0.13628%0.276CS..EExtended strand (participates in β ladder)trans-147.2154.1-176.561.1124.1000113.6Y138 A165 W232 H233Y138-L140 WeakPolarHBondContact O-CD2 3.07Å; L140-A165 HydrophobicContact CB-CB 4.08Å; L140-A165 HydrophobicContact CD2-CB 4.44Å; L140-W232 PolarHBondContact N-O 3.47Å; L140-H233 PolarHBondContact O-ND1 3.3Å
141P92.1Very high86.9Confident93 Ų9350.7 Ų50.760%0.60429%0.287SS*.EExtended strand (participates in β ladder)cis-76.4141-4.831.4-33.8000112.2T163P141-T163 WeakPolarHBondContact CB-OG1 3.33Å
142R90.5Very high85.6Confident73 Ų7359.1 Ų59.128%0.27532%0.319SS..EExtended strand (participates in β ladder)trans-124.4153.9169.5-66.4-63.4-168.3-171.94.5110.1I139 T163 G164 N166 E216I139-R142 HydrophobicContact CG2-CG 4.4Å; I139-R142 VanDerWaalsContact O-CG 3.29Å; I139-R142 WeakPolarHBondContact O-CG 3.43Å; R142-T163 CarbonylContact O-C 3.43Å; R142-T163 WeakPolarHBondContact O-CA 3.41Å; R142-G164 PolarHBondContact N-O 2.98Å; R142-G164 CarbonylContact O-C 3.41Å; R142-G164 PolarHBondContact O-N 3.1Å; R142-N166 HydrophobicContact CG-CB 4.27Å; R142-E216 IonicContact NH2-OE1 2.63Å; R142-E216 IonicContact NH2-OE2 2.9Å
143S87.9Confident84.3Confident60 Ų6059.4 Ų59.442%0.4232%0.319SS..  trans-115.3148171.3-68.60000108.1V145 D162S143-V145 PolarHBondContact O-N 2.84Å; S143-D162 WeakPolarHBondContact CA-O 3.39Å; S143-D162 WeakPolarHBondContact CB-O 3.36Å; S143-D162 PolarHBondContact OG-O 2.72Å
144P87.1Confident82.7Confident34 Ų3460.6 Ų60.622%0.22133%0.333CS..  trans-62.8132-179.324.9-29.8000109.6D146 D162 Y186P144-D146 PolarHBondContact O-N 3.02Å; P144-D162 WeakPolarHBondContact CD-O 3.4Å; P144-D162 HydrophobicContact CG-CB 4.21Å; P144-Y186 HydrophobicContact CB-CD1 3.72Å; P144-Y186 HydrophobicContact CB-CD2 4.38Å; P144-Y186 HydrophobicContact CB-CE1 3.74Å; P144-Y186 HydrophobicContact CB-CE2 4.41Å; P144-Y186 HydrophobicContact CB-CG 4.04Å; P144-Y186 HydrophobicContact CG-CD1 4.45Å; P144-Y186 HydrophobicContact CG-CE1 3.98Å
145V82.6Confident80.9Confident30 Ų3057.1 Ų57.118%0.18231%0.314CS..  trans-81.3113.4168.2-178.80000107.3S143 R269S143-V145 PolarHBondContact O-N 2.84Å; V145-R269 HydrophobicContact CG2-CB 4.25Å
146D79.3Confident79.4Confident69 Ų6958.9 Ų58.937%0.36932%0.323SS..  trans-127.8110172.7173.3-16.2000107.3P144 E148 K149 E150P144-D146 PolarHBondContact O-N 3.02Å; D146-E148 PolarHBondContact O-N 2.92Å; D146-E148 PolarHBondContact OD1-N 3.47Å; D146-K149 HydrophobicContact CB-CB 3.72Å; D146-K149 PolarHBondContact O-N 2.84Å; D146-K149 PolarHBondContact OD1-N 3.46Å; D146-K149 VanDerWaalsContact OD1-N 3.12Å; D146-E150 WeakPolarHBondContact O-CB 3.39Å; D146-E150 VanDerWaalsContact O-CG 3.26Å; D146-E150 WeakPolarHBondContact O-CG 3.25Å; D146-E150 PolarHBondContact O-N 3.06Å
147P68.5Low77.4Confident89 Ų8967 Ų6758%0.57837%0.365SS*.Hα-helixtrans-56.3-35.9-177.7-26.134.3000114.1A151P147-A151 WeakPolarHBondContact O-CB 3.43Å; P147-A151 PolarHBondContact O-N 3.03Å; P147-A151 VanDerWaalsContact O-N 3.1Å
148E69.3Low75.3Confident129 Ų12971 Ų7160%0.60339%0.393SS*.Hα-helixtrans-73.1-45.4179.5-66.5-169-175.900110.8D146 A151 R152D146-E148 PolarHBondContact O-N 2.92Å; D146-E148 PolarHBondContact OD1-N 3.47Å; E148-A151 PolarHBondContact O-N 2.99Å; E148-R152 WeakPolarHBondContact O-CG 3.43Å; E148-R152 PolarHBondContact O-N 3.11Å; E148-R152 VanDerWaalsContact O-N 3.07Å; E148-R152 IonicContact OE2-NH2 3.34Å
149K73.2Confident73.3Confident48 Ų4874.4 Ų74.421%0.20942%0.422CS..Hα-helixtrans-63.3-43.5176.9-168.4-179.2-174.7-174.50111.2D146 A151 R152 E153 S160 D162D146-K149 HydrophobicContact CB-CB 3.72Å; D146-K149 PolarHBondContact O-N 2.84Å; D146-K149 PolarHBondContact OD1-N 3.46Å; D146-K149 VanDerWaalsContact OD1-N 3.12Å; K149-A151 VanDerWaalsContact C-N 3.32Å; K149-A151 PolarHBondContact O-N 3.37Å; K149-R152 PolarHBondContact O-N 2.83Å; K149-E153 WeakPolarHBondContact CE-OE1 3.41Å; K149-E153 HydrophobicContact CG-CG 4.32Å; K149-E153 WeakPolarHBondContact CG-OE1 3.49Å; K149-E153 WeakPolarHBondContact O-CB 3.11Å; K149-E153 WeakPolarHBondContact O-CG 3.36Å; K149-E153 PolarHBondContact O-N 2.91Å; K149-S160 VanDerWaalsContact CE-CB 3.49Å; K149-S160 VanDerWaalsContact CE-OG 3.23Å; K149-S160 WeakPolarHBondContact CE-OG 3.15Å; K149-S160 PolarHBondContact NZ-OG 3.27Å; K149-S160 VanDerWaalsContact NZ-OG 3.08Å; K149-D162 IonicContact NZ-OD2 3.87Å; K149-D162 PolarHBondContact NZ-OD2 3.06Å
150E72.4Confident71.5Confident32 Ų3275.7 Ų75.715%0.1543%0.431CS..Hα-helixtrans-64.3-35.7177.9-74.3-168.9144.900112.9D146 A154 R269 T271D146-E150 WeakPolarHBondContact O-CB 3.39Å; D146-E150 VanDerWaalsContact O-CG 3.26Å; D146-E150 WeakPolarHBondContact O-CG 3.25Å; D146-E150 PolarHBondContact O-N 3.06Å; E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.01Å; E150-R269 IonicContact OE1-CZ 3.94Å; E150-R269 IonicContact OE1-NE 3.65Å; E150-R269 PolarHBondContact OE1-NE 3.47Å; E150-R269 IonicContact OE1-NH2 3.7Å; E150-R269 PolarHBondContact OE1-NH2 3.14Å; E150-R269 IonicContact OE2-NE 3.98Å; E150-T271 PolarHBondContact OE2-OG1 3.48Å
151A66.6Low69.9Low72 Ų7278.1 Ų78.160%0.59546%0.462SS*.Hα-helixtrans-67.3-38.9173.800000111.9P147 E148 K149 A154P147-A151 WeakPolarHBondContact O-CB 3.43Å; P147-A151 PolarHBondContact O-N 3.03Å; P147-A151 VanDerWaalsContact O-N 3.1Å; E148-A151 PolarHBondContact O-N 2.99Å; K149-A151 VanDerWaalsContact C-N 3.32Å; K149-A151 PolarHBondContact O-N 3.37Å; A151-A154 WeakPolarHBondContact O-CB 3.48Å
152R69.1Low69.1Low187 Ų18777.6 Ų77.671%0.70645%0.454SS*.Hα-helixtrans-71.8-37.9177.3-69.7175.6-174.3176.17.9113.1E148 K149 A154 Q156E148-R152 WeakPolarHBondContact O-CG 3.43Å; E148-R152 PolarHBondContact O-N 3.11Å; E148-R152 VanDerWaalsContact O-N 3.07Å; E148-R152 IonicContact OE2-NH2 3.34Å; K149-R152 PolarHBondContact O-N 2.83Å; R152-A154 VanDerWaalsContact C-N 3.34Å; R152-Q156 PolarHBondContact O-NE2 3.15Å
153E68.2Low69Low59 Ų5976.8 Ų76.828%0.27646%0.458SS..Hα-helixtrans-88.1-2.3-179.2-66.6-179.2-173.800112.5K149 G155 Q156 S160K149-E153 WeakPolarHBondContact CE-OE1 3.41Å; K149-E153 HydrophobicContact CG-CG 4.32Å; K149-E153 WeakPolarHBondContact CG-OE1 3.49Å; K149-E153 WeakPolarHBondContact O-CB 3.11Å; K149-E153 WeakPolarHBondContact O-CG 3.36Å; K149-E153 PolarHBondContact O-N 2.91Å; E153-G155 PolarHBondContact O-N 3.15Å; E153-Q156 PolarHBondContact O-N 3.26Å; E153-S160 PolarHBondContact OE2-OG 3.47Å; E153-S160 VanDerWaalsContact OE2-OG 3.06Å
154A60.7Low69.3Low54 Ų5474.1 Ų74.145%0.44644%0.439SS..THydrogen-bonded Turntrans-57.4114.217500000110.3E150 A151 R152E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.01Å; A151-A154 WeakPolarHBondContact O-CB 3.48Å; R152-A154 VanDerWaalsContact C-N 3.34Å
155G57.2Low69.7Low31 Ų3172.5 Ų72.532%0.3243%0.429SS..THydrogen-bonded Turntrans103.9-14.7-17900000114.9E153 R273 E275E153-G155 PolarHBondContact O-N 3.15Å; G155-R273 PolarHBondContact O-NH2 2.98Å; G155-E275 WeakPolarHBondContact CA-OE1 3.26Å; G155-E275 PolarHBondContact N-OE1 3.37Å
156Q62.3Low70.3Confident107 Ų10771.7 Ų71.750%0.542%0.424SS..  trans-77144.8175.4-60-175.930.300110.8R152 E153 S158 R273R152-Q156 PolarHBondContact O-NE2 3.15Å; E153-Q156 PolarHBondContact O-N 3.26Å; Q156-S158 VanDerWaalsContact C-N 3.34Å; Q156-R273 PolarHBondContact O-NH1 3.1Å
157L53.2Low71.2Confident176 Ų17668.4 Ų68.492%0.92141%0.406SS*.SBendtrans-82.1-17.2175.3-82.6159.4000112.1
158S54Low72.6Confident88 Ų8864.2 Ų64.262%0.61538%0.378SS*.  trans-87.1110.4-179.9-43.60000109.3Q156 S160Q156-S158 VanDerWaalsContact C-N 3.34Å; S158-S160 PolarHBondContact O-N 3.12Å
159S55.8Low73.9Confident102 Ų10258 Ų5871%0.71335%0.35SS*.  trans-70129.7161.964.60000107.6G161S159-G161 PolarHBondContact O-N 2.78Å
160S57.4Low75.1Confident31 Ų3155.8 Ų55.822%0.21734%0.34CS..  trans-47132.2166.737.10000110K149 E153 S158 D162K149-S160 VanDerWaalsContact CE-CB 3.49Å; K149-S160 VanDerWaalsContact CE-OG 3.23Å; K149-S160 WeakPolarHBondContact CE-OG 3.15Å; K149-S160 PolarHBondContact NZ-OG 3.27Å; K149-S160 VanDerWaalsContact NZ-OG 3.08Å; E153-S160 PolarHBondContact OE2-OG 3.47Å; E153-S160 VanDerWaalsContact OE2-OG 3.06Å; S158-S160 PolarHBondContact O-N 3.12Å; S160-D162 PolarHBondContact O-N 2.95Å
161G61Low76.2Confident76 Ų7654.2 Ų54.278%0.78433%0.333SS*.SBendtrans-68.98.3-171.600000115.1S159 T163S159-G161 PolarHBondContact O-N 2.78Å; G161-T163 PolarHBondContact O-N 3.28Å
162D75.1Confident77.7Confident82 Ų8255.4 Ų55.444%0.43932%0.322SS..  trans-76.995.5-178.5-59.5-42.8000109S143 P144 K149 S160S143-D162 WeakPolarHBondContact CA-O 3.39Å; S143-D162 WeakPolarHBondContact CB-O 3.36Å; S143-D162 PolarHBondContact OG-O 2.72Å; P144-D162 WeakPolarHBondContact CD-O 3.4Å; P144-D162 HydrophobicContact CG-CB 4.21Å; K149-D162 IonicContact NZ-OD2 3.87Å; K149-D162 PolarHBondContact NZ-OD2 3.06Å; S160-D162 PolarHBondContact O-N 2.95Å
163T88.2Confident78.9Confident57 Ų5746.5 Ų46.535%0.3529%0.289SS..  trans-105.3141172-166.70000110.5P141 R142 G161 R189P141-T163 WeakPolarHBondContact CB-OG1 3.33Å; R142-T163 CarbonylContact O-C 3.43Å; R142-T163 WeakPolarHBondContact O-CA 3.41Å; G161-T163 PolarHBondContact O-N 3.28Å; T163-R189 WeakPolarHBondContact O-CB 3.02Å; T163-R189 PolarHBondContact O-N 2.88Å
164G93.7Very high80.1Confident3 Ų346 Ų463%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-159.4-151.7-17900000110.6R142 V187R142-G164 PolarHBondContact N-O 2.98Å; R142-G164 CarbonylContact O-C 3.41Å; R142-G164 PolarHBondContact O-N 3.1Å; G164-V187 CarbonylContact C-O 3.56Å; G164-V187 WeakPolarHBondContact CA-O 3.4Å
165A95.5Very high81.5Confident0 Ų049 Ų490%030%0.3CS..EExtended strand (participates in β ladder)trans-135.2153179.700000110.4I139 L140 Y186 V187 I192I139-A165 CarbonylContact O-C 3.48Å; I139-A165 VanDerWaalsContact O-CA 3.25Å; I139-A165 WeakPolarHBondContact O-CA 3.32Å; L140-A165 HydrophobicContact CB-CB 4.08Å; L140-A165 HydrophobicContact CD2-CB 4.44Å; A165-Y186 CarbonylContact O-C 3.43Å; A165-Y186 WeakPolarHBondContact O-CA 3.28Å; A165-V187 HydrophobicContact CB-CG2 4.32Å; A165-V187 PolarHBondContact N-O 3.03Å; A165-V187 PolarHBondContact O-N 3.09Å; A165-I192 HydrophobicContact CB-CD1 3.95Å; A165-I192 HydrophobicContact CB-CG1 3.97Å
166N96.5Very high83Confident14 Ų1449.9 Ų49.98%0.07530%0.298CS..EExtended strand (participates in β ladder)trans-88.3132.8158.9-73.26.5000108.3I139 R142 N183 G185I139-N166 HydrophobicContact CB-CB 4.33Å; I139-N166 PolarHBondContact N-O 3.36Å; I139-N166 PolarHBondContact O-N 3.21Å; R142-N166 HydrophobicContact CG-CB 4.27Å; N166-N183 WeakPolarHBondContact CB-OD1 3.02Å; N166-N183 PolarHBondContact ND2-ND2 3.32Å; N166-G185 CarbonylContact C-O 3.58Å; N166-G185 VanDerWaalsContact CA-O 3.29Å; N166-G185 WeakPolarHBondContact CA-O 3.23Å
167V97.1Very high84.5Confident0 Ų047 Ų470%030%0.296CS..EExtended strand (participates in β ladder)trans-95.8113.5178.3-174.60000108.4E136 Y138 N183 R184 G185 V187 P263E136-V167 HydrophobicContact CB-CG1 4.32Å; E136-V167 HydrophobicContact CG-CG1 4.33Å; Y138-V167 HydrophobicContact CD1-CG2 4.2Å; Y138-V167 HydrophobicContact CE1-CG1 4.23Å; Y138-V167 HydrophobicContact CE1-CG2 4.18Å; V167-N183 PolarHBondContact O-OD1 2.86Å; V167-R184 PolarHBondContact O-N 3.42Å; V167-G185 PolarHBondContact N-O 2.73Å; V167-V187 HydrophobicContact CG2-CB 4.38Å; V167-V187 HydrophobicContact CG2-CG1 3.88Å; V167-V187 HydrophobicContact CG2-CG2 3.57Å; V167-P263 HydrophobicContact CB-CB 4.34Å; V167-P263 HydrophobicContact CB-CG 3.88Å; V167-P263 HydrophobicContact CG1-CG 4.38Å; V167-P263 HydrophobicContact CG2-CB 4.34Å; V167-P263 HydrophobicContact CG2-CG 3.88Å
168V97.8Very high86.5Confident0 Ų040.4 Ų40.40%026%0.261CS..EExtended strand (participates in β ladder)trans-98.5130.6172.5-176.40000107.8E136 M137 I139 L181 V182 N183 F250E136-V168 CarbonylContact C-O 3.53Å; E136-V168 WeakPolarHBondContact CA-O 3.34Å; M137-V168 HydrophobicContact CB-CB 4.22Å; M137-V168 HydrophobicContact CE-CG1 4Å; M137-V168 PolarHBondContact N-O 3.19Å; M137-V168 PolarHBondContact O-N 2.92Å; I139-V168 HydrophobicContact CD1-CG2 3.69Å; I139-V168 HydrophobicContact CG1-CG2 4.03Å; V168-L181 HydrophobicContact CG1-CB 4.21Å; V168-L181 HydrophobicContact CG1-CD2 4.46Å; V168-V182 CarbonylContact C-O 3.58Å; V168-V182 VanDerWaalsContact CA-O 3.3Å; V168-V182 WeakPolarHBondContact CA-O 3.21Å; V168-N183 HydrophobicContact CG2-CB 4.16Å; V168-F250 HydrophobicContact CG1-CD2 4.41Å; V168-F250 HydrophobicContact CG1-CE2 3.87Å; V168-F250 HydrophobicContact CG2-CE2 3.92Å; V168-F250 HydrophobicContact CG2-CZ 4.4Å
169T97.4Very high88.5Confident0 Ų038 Ų380%024%0.244CC..EExtended strand (participates in β ladder)trans-133.3133.7-177.6-51.60000108.4Y131 D132 E136 V182 R184Y131-T169 HydrophobicContact CD1-CG2 3.93Å; Y131-T169 HydrophobicContact CG-CG2 4.37Å; D132-T169 WeakPolarHBondContact O-CG2 3.26Å; E136-T169 HydrophobicContact CG-CG2 3.84Å; E136-T169 WeakPolarHBondContact CG-OG1 3.39Å; T169-V182 PolarHBondContact N-O 3.5Å; T169-V182 PolarHBondContact O-N 3.27Å; T169-R184 WeakPolarHBondContact OG1-CD 3.3Å
170P97.6Very high90.4Very high0 Ų033.2 Ų33.20%021%0.21CC..EExtended strand (participates in β ladder)trans-60.2141169.5-23.135.9000110.3D132 Q135 T179 I180 L181 T244D132-P170 HydrophobicContact CB-CB 4.27Å; D132-P170 PolarHBondContact N-O 2.84Å; Q135-P170 HydrophobicContact CB-CG 3.83Å; Q135-P170 VanDerWaalsContact O-CD 3.28Å; Q135-P170 WeakPolarHBondContact O-CD 3.16Å; P170-T179 HydrophobicContact CB-CG2 3.69Å; P170-I180 CarbonylContact C-O 3.56Å; P170-I180 WeakPolarHBondContact CA-O 3.38Å; P170-L181 HydrophobicContact CG-CD2 4.46Å; P170-T244 HydrophobicContact CG-CG2 3.63Å
171F97Very high92.3Very high0 Ų031.7 Ų31.70%020%0.199CC..EExtended strand (participates in β ladder)trans-132116.6-176.1-176.4-98.4000108.6V127 G129 H130 Y131 C173 T179 I180 V182 V206 L208V127-F171 HydrophobicContact CB-CE1 4.26Å; V127-F171 HydrophobicContact CG2-CD1 4.13Å; V127-F171 HydrophobicContact CG2-CE1 3.64Å; V127-F171 HydrophobicContact CG2-CZ 4.43Å; G129-F171 VanDerWaalsContact N-CZ 3.29Å; G129-F171 WeakPolarHBondContact O-CE2 3.28Å; G129-F171 WeakPolarHBondContact O-CZ 3.33Å; H130-F171 WeakPolarHBondContact O-CA 3.5Å; H130-F171 WeakPolarHBondContact O-CD2 3.43Å; Y131-F171 HydrophobicContact CD1-CB 4.33Å; Y131-F171 AromaticContact CD1-CD2 3.59Å; Y131-F171 HydrophobicContact CD1-CD2 3.59Å; Y131-F171 HydrophobicContact CD1-CE2 4.42Å; Y131-F171 HydrophobicContact CD1-CG 4.44Å; Y131-F171 HydrophobicContact CD2-CD2 4.28Å; Y131-F171 HydrophobicContact CD2-CE2 4.38Å; Y131-F171 HydrophobicContact CE1-CB 4.47Å; Y131-F171 AromaticContact CE1-CD2 3.6Å; Y131-F171 HydrophobicContact CE1-CD2 3.6Å; Y131-F171 HydrophobicContact CE1-CE2 4.24Å; Y131-F171 HydrophobicContact CE1-CG 4.4Å; Y131-F171 HydrophobicContact CE2-CD2 4.29Å; Y131-F171 HydrophobicContact CE2-CE2 4.21Å; Y131-F171 AromaticContact CG-CD2 3.94Å; Y131-F171 HydrophobicContact CG-CD2 3.94Å; Y131-F171 HydrophobicContact CG-CE2 4.48Å; Y131-F171 AromaticContact CZ-CD2 3.95Å; F171-C173 PolarHBondContact O-N 3.08Å; F171-T179 CarbonylContact O-C 3.55Å; F171-T179 WeakPolarHBondContact O-CA 3.45Å; F171-I180 HydrophobicContact CB-CG1 4.14Å; F171-I180 HydrophobicContact CD1-CD1 4.42Å; F171-I180 HydrophobicContact CD1-CG1 4.27Å; F171-I180 PolarHBondContact N-O 2.93Å; F171-I180 PolarHBondContact O-N 3.2Å; F171-V182 HydrophobicContact CB-CB 4.27Å; F171-V182 HydrophobicContact CB-CG2 3.51Å; F171-V182 HydrophobicContact CD1-CG2 4.42Å; F171-V182 HydrophobicContact CG-CG2 3.99Å; F171-V206 HydrophobicContact CE2-CG2 3.6Å; F171-V206 HydrophobicContact CZ-CG2 4.04Å; F171-L208 HydrophobicContact CZ-CB 4.28Å
172Y96.8Very high94Very high96 Ų9628.1 Ų28.138%0.37616%0.162SC..EExtended strand (participates in β ladder)trans-81.3113.2177179-97.2000109.1G129 H130 S174G129-Y172 WeakPolarHBondContact CA-O 3.37Å; H130-Y172 AromaticContact CE1-CD1 3.36Å; H130-Y172 WeakPolarHBondContact CE1-CD1 3.4Å; H130-Y172 AromaticContact CE1-CG 3.88Å; H130-Y172 PolarHBondContact N-O 3.17Å; H130-Y172 AromaticContact ND1-CD1 3.98Å; H130-Y172 PolarHBondContact O-N 2.91Å; Y172-S174 PolarHBondContact O-N 3.06Å
173C95.2Very high95.1Very high1 Ų124.4 Ų24.41%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-80.4107177.7-66.20000110.2R128 F171 D175 L176 G177 I178R128-C173 CarbonylContact O-C 3.51Å; R128-C173 WeakPolarHBondContact O-CA 3.12Å; F171-C173 PolarHBondContact O-N 3.08Å; C173-D175 VanDerWaalsContact C-N 3.27Å; C173-D175 PolarHBondContact O-N 2.7Å; C173-L176 HydrophobicContact CB-CB 4.07Å; C173-L176 HydrophobicContact CB-CD1 4.44Å; C173-L176 HydrophobicContact CB-CG 4.48Å; C173-L176 PolarHBondContact O-N 2.53Å; C173-G177 PolarHBondContact O-N 2.63Å; C173-I178 WeakPolarHBondContact CB-O 3.42Å; C173-I178 PolarHBondContact N-O 3.47Å
174S93.9Very high95.4Very high49 Ų4922 Ų2234%0.34313%0.127SC..THydrogen-bonded Turntrans-58.8-38.7179.4-56.20000112.6R128 Y172 L176 E205R128-S174 PolarHBondContact O-N 2.97Å; Y172-S174 PolarHBondContact O-N 3.06Å; S174-L176 VanDerWaalsContact C-N 3.34Å; S174-L176 PolarHBondContact O-N 3.46Å; S174-E205 WeakPolarHBondContact CB-OE1 3.42Å; S174-E205 PolarHBondContact OG-OE1 2.81Å
175D89.1Confident95.5Very high115 Ų11522 Ų2262%0.61513%0.126SC*.THydrogen-bonded Turntrans-70.1-29.9-177.3-60.3-34.1000113R128 C173R128-D175 WeakPolarHBondContact CB-OD2 3.05Å; C173-D175 VanDerWaalsContact C-N 3.27Å; C173-D175 PolarHBondContact O-N 2.7Å
176L89.8Confident95.5Very high51 Ų5122.5 Ų22.527%0.26713%0.128SC..THydrogen-bonded Turntrans-108.4-15.8-172.3-61.7176.5000113L110 I112 C173 S174 I178L110-L176 HydrophobicContact CB-CD1 4.13Å; L110-L176 HydrophobicContact CD2-CD1 3.79Å; L110-L176 HydrophobicContact CG-CD1 4.16Å; I112-L176 HydrophobicContact CD1-CD2 3.95Å; I112-L176 HydrophobicContact CG1-CD2 3.72Å; C173-L176 HydrophobicContact CB-CB 4.07Å; C173-L176 HydrophobicContact CB-CD1 4.44Å; C173-L176 HydrophobicContact CB-CG 4.48Å; C173-L176 PolarHBondContact O-N 2.53Å; S174-L176 VanDerWaalsContact C-N 3.34Å; S174-L176 PolarHBondContact O-N 3.46Å; L176-I178 HydrophobicContact CB-CD1 4.32Å; L176-I178 HydrophobicContact CB-CG1 3.79Å; L176-I178 HydrophobicContact CD1-CD1 4.29Å; L176-I178 HydrophobicContact CD1-CG1 4.45Å; L176-I178 PolarHBondContact O-N 3Å
177G93Very high95.4Very high45 Ų4522 Ų2246%0.46413%0.125SC..THydrogen-bonded Turntrans67.519.8-177.200000114.4C173C173-G177 PolarHBondContact O-N 2.63Å
178I94.3Very high95.3Very high38 Ų3824.7 Ų24.720%0.19514%0.143CC..EExtended strand (participates in β ladder)trans-121.8152.9-179.462.7171.2000110.9C173 L176 I180 E247 I249C173-I178 WeakPolarHBondContact CB-O 3.42Å; C173-I178 PolarHBondContact N-O 3.47Å; L176-I178 HydrophobicContact CB-CD1 4.32Å; L176-I178 HydrophobicContact CB-CG1 3.79Å; L176-I178 HydrophobicContact CD1-CD1 4.29Å; L176-I178 HydrophobicContact CD1-CG1 4.45Å; L176-I178 PolarHBondContact O-N 3Å; I178-I180 HydrophobicContact CD1-CG2 3.97Å; I178-I180 HydrophobicContact CG1-CG2 4.18Å; I178-E247 HydrophobicContact CB-CG 4.22Å; I178-E247 HydrophobicContact CD1-CG 4.32Å; I178-I249 HydrophobicContact CD1-CD1 3.94Å
179T95.9Very high95Very high39 Ų3933.7 Ų33.724%0.23918%0.177CC..EExtended strand (participates in β ladder)trans-95.8132170.7-57.30000109.6P170 F171 A246 E247P170-T179 HydrophobicContact CB-CG2 3.69Å; F171-T179 CarbonylContact O-C 3.55Å; F171-T179 WeakPolarHBondContact O-CA 3.45Å; T179-A246 HydrophobicContact CG2-CB 3.88Å; T179-A246 CarbonylContact O-C 3.56Å; T179-A246 WeakPolarHBondContact O-CA 3.32Å; T179-A246 WeakPolarHBondContact O-CB 3.45Å; T179-E247 PolarHBondContact O-N 3.35Å
180I95.8Very high94.8Very high0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-120.3171.3176.666.2171.2000110.8L110 V127 P170 F171 I178 V182 I249 I251L110-I180 HydrophobicContact CD2-CD1 4.06Å; L110-I180 HydrophobicContact CD2-CG2 4.27Å; V127-I180 HydrophobicContact CG1-CD1 4.48Å; V127-I180 HydrophobicContact CG2-CD1 4.35Å; P170-I180 CarbonylContact C-O 3.56Å; P170-I180 WeakPolarHBondContact CA-O 3.38Å; F171-I180 HydrophobicContact CB-CG1 4.14Å; F171-I180 HydrophobicContact CD1-CD1 4.42Å; F171-I180 HydrophobicContact CD1-CG1 4.27Å; F171-I180 PolarHBondContact N-O 2.93Å; F171-I180 PolarHBondContact O-N 3.2Å; I178-I180 HydrophobicContact CD1-CG2 3.97Å; I178-I180 HydrophobicContact CG1-CG2 4.18Å; I180-V182 HydrophobicContact CD1-CG2 4.18Å; I180-V182 HydrophobicContact CG1-CG2 4.17Å; I180-I249 HydrophobicContact CB-CB 4.06Å; I180-I249 HydrophobicContact CB-CG2 4.22Å; I180-I249 HydrophobicContact CG2-CB 3.77Å; I180-I249 HydrophobicContact CG2-CD1 4.14Å; I180-I249 HydrophobicContact CG2-CG1 4.39Å; I180-I249 HydrophobicContact CG2-CG2 3.96Å; I180-I251 HydrophobicContact CD1-CD1 3.48Å; I180-I251 VanDerWaalsContact CD1-CD1 3.48Å; I180-I251 HydrophobicContact CD1-CG1 4.26Å
181L97.3Very high94.6Very high0 Ų047.9 Ų47.90%024%0.238CC..EExtended strand (participates in β ladder)trans-97.5125.8175.4-62.1172.6000110.8M137 V168 P170 L237 M240 T244 A246 I249 F250 I251M137-L181 HydrophobicContact CE-CD2 3.55Å; V168-L181 HydrophobicContact CG1-CB 4.21Å; V168-L181 HydrophobicContact CG1-CD2 4.46Å; P170-L181 HydrophobicContact CG-CD2 4.46Å; L181-L237 HydrophobicContact CD1-CD2 4.15Å; L181-M240 HydrophobicContact CD1-CB 3.49Å; L181-M240 VanDerWaalsContact CD1-CB 3.49Å; L181-M240 HydrophobicContact CD1-SD 4.43Å; L181-T244 HydrophobicContact CD2-CG2 4.48Å; L181-A246 HydrophobicContact CD2-CB 3.91Å; L181-A246 HydrophobicContact CG-CB 4.05Å; L181-I249 WeakPolarHBondContact CB-O 3.25Å; L181-I249 PolarHBondContact N-O 3.48Å; L181-F250 HydrophobicContact CB-CB 4.41Å; L181-F250 HydrophobicContact CB-CD2 3.76Å; L181-F250 HydrophobicContact CB-CG 4.49Å; L181-F250 VanDerWaalsContact O-CA 3.24Å; L181-F250 WeakPolarHBondContact O-CA 3.3Å; L181-I251 PolarHBondContact O-N 3.02Å
182V97.4Very high94.5Very high0 Ų049.6 Ų49.60%025%0.247CC..EExtended strand (participates in β ladder)trans-119.6120.6177.7176.10000109.9Y131 V168 T169 F171 I180 R184 L208 I251 A253Y131-V182 HydrophobicContact CE1-CB 4.13Å; Y131-V182 HydrophobicContact CE1-CG1 4Å; V168-V182 CarbonylContact C-O 3.58Å; V168-V182 VanDerWaalsContact CA-O 3.3Å; V168-V182 WeakPolarHBondContact CA-O 3.21Å; T169-V182 PolarHBondContact N-O 3.5Å; T169-V182 PolarHBondContact O-N 3.27Å; F171-V182 HydrophobicContact CB-CB 4.27Å; F171-V182 HydrophobicContact CB-CG2 3.51Å; F171-V182 HydrophobicContact CD1-CG2 4.42Å; F171-V182 HydrophobicContact CG-CG2 3.99Å; I180-V182 HydrophobicContact CD1-CG2 4.18Å; I180-V182 HydrophobicContact CG1-CG2 4.17Å; V182-R184 HydrophobicContact CG1-CG 4.29Å; V182-R184 PolarHBondContact O-N 2.94Å; V182-L208 HydrophobicContact CB-CD2 4.14Å; V182-L208 HydrophobicContact CG1-CD1 4.42Å; V182-L208 HydrophobicContact CG1-CD2 3.52Å; V182-L208 HydrophobicContact CG2-CD2 3.49Å; V182-L208 VanDerWaalsContact CG2-CD2 3.49Å; V182-I251 CarbonylContact C-O 3.54Å; V182-I251 WeakPolarHBondContact CA-O 3.32Å; V182-A253 HydrophobicContact CG1-CB 4.38Å
183N97.4Very high94.3Very high4 Ų451.6 Ų51.62%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-79.2103.4163.2173.820.2000109.5N166 V167 V168 G185 F250 I251 D252 A253N166-N183 WeakPolarHBondContact CB-OD1 3.02Å; N166-N183 PolarHBondContact ND2-ND2 3.32Å; V167-N183 PolarHBondContact O-OD1 2.86Å; V168-N183 HydrophobicContact CG2-CB 4.16Å; N183-G185 PolarHBondContact O-N 3.49Å; N183-G185 VanDerWaalsContact OD1-CA 3.32Å; N183-G185 WeakPolarHBondContact OD1-CA 3.32Å; N183-G185 PolarHBondContact OD1-N 2.97Å; N183-F250 HydrophobicContact CB-CE1 4.01Å; N183-F250 HydrophobicContact CB-CE2 4.01Å; N183-F250 HydrophobicContact CB-CZ 3.34Å; N183-I251 PolarHBondContact N-O 3.34Å; N183-D252 WeakPolarHBondContact CB-OD1 3.47Å; N183-D252 PolarHBondContact ND2-OD1 3.32Å; N183-A253 WeakPolarHBondContact O-CB 3.4Å; N183-A253 PolarHBondContact O-N 3.44Å
184R95.9Very high94.2Very high8 Ų853.5 Ų53.53%0.0327%0.27CS..EExtended strand (participates in β ladder)trans-68.8-18.8178.2-60.2178.561.6-156.3-1.6112.3Y131 H133 E136 V167 T169 V182 G200 P263 G265Y131-R184 HydrophobicContact CD1-CG 4.28Å; Y131-R184 HydrophobicContact CE1-CG 3.67Å; H133-R184 PolarHBondContact CE1-NH1 2.88Å; H133-R184 PolarHBondContact ND1-NH1 2.88Å; E136-R184 IonicContact OE1-NH1 2.83Å; E136-R184 PolarHBondContact OE1-NH1 3.45Å; E136-R184 VanDerWaalsContact OE1-NH1 3.17Å; V167-R184 PolarHBondContact O-N 3.42Å; T169-R184 WeakPolarHBondContact OG1-CD 3.3Å; V182-R184 HydrophobicContact CG1-CG 4.29Å; V182-R184 PolarHBondContact O-N 2.94Å; R184-G200 PolarHBondContact NH2-O 3.28Å; R184-P263 HydrophobicContact CB-CB 3.96Å; R184-P263 HydrophobicContact CB-CG 4.02Å; R184-G265 PolarHBondContact O-N 3.45Å
185G95.1Very high94.1Very high1 Ų158.4 Ų58.41%0.0129%0.288CS..EExtended strand (participates in β ladder)trans116.3-158.3171.900000114N166 V167 N183 I264N166-G185 CarbonylContact C-O 3.58Å; N166-G185 VanDerWaalsContact CA-O 3.29Å; N166-G185 WeakPolarHBondContact CA-O 3.23Å; V167-G185 PolarHBondContact N-O 2.73Å; N183-G185 PolarHBondContact O-N 3.49Å; N183-G185 VanDerWaalsContact OD1-CA 3.32Å; N183-G185 WeakPolarHBondContact OD1-CA 3.32Å; N183-G185 PolarHBondContact OD1-N 2.97Å; G185-I264 CarbonylContact C-O 3.46Å; G185-I264 WeakPolarHBondContact CA-O 3.36Å
186Y95.6Very high94.3Very high12 Ų1256.2 Ų56.25%0.04728%0.278CS..EExtended strand (participates in β ladder)trans-86.3139.3-166.3171.3-95000112.9P144 A165 P188 P263 I264P144-Y186 HydrophobicContact CB-CD1 3.72Å; P144-Y186 HydrophobicContact CB-CD2 4.38Å; P144-Y186 HydrophobicContact CB-CE1 3.74Å; P144-Y186 HydrophobicContact CB-CE2 4.41Å; P144-Y186 HydrophobicContact CB-CG 4.04Å; P144-Y186 HydrophobicContact CG-CD1 4.45Å; P144-Y186 HydrophobicContact CG-CE1 3.98Å; A165-Y186 CarbonylContact O-C 3.43Å; A165-Y186 WeakPolarHBondContact O-CA 3.28Å; Y186-P188 HydrophobicContact CE1-CG 4.01Å; Y186-P263 WeakPolarHBondContact O-CA 3.42Å; Y186-I264 PolarHBondContact N-O 2.92Å; Y186-I264 PolarHBondContact O-N 2.95Å
187V95.1Very high94.5Very high3 Ų354.1 Ų54.12%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-127.7138.5165.6-65.40000110.9G164 A165 V167 K191 I192 P263G164-V187 CarbonylContact C-O 3.56Å; G164-V187 WeakPolarHBondContact CA-O 3.4Å; A165-V187 HydrophobicContact CB-CG2 4.32Å; A165-V187 PolarHBondContact N-O 3.03Å; A165-V187 PolarHBondContact O-N 3.09Å; V167-V187 HydrophobicContact CG2-CB 4.38Å; V167-V187 HydrophobicContact CG2-CG1 3.88Å; V167-V187 HydrophobicContact CG2-CG2 3.57Å; V187-K191 HydrophobicContact CB-CB 4.31Å; V187-I192 HydrophobicContact CG2-CG1 4.02Å; V187-P263 HydrophobicContact CG1-CB 3.75Å; V187-P263 HydrophobicContact CG1-CG 3.77Å
188P94Very high94.4Very high56 Ų5657.7 Ų57.736%0.36427%0.273SS..EExtended strand (participates in β ladder)trans-59.1155170-22.431.9000112Y186 K190 K191 I192Y186-P188 HydrophobicContact CE1-CG 4.01Å; P188-K190 PolarHBondContact O-N 3.49Å; P188-K191 WeakPolarHBondContact O-CA 3.2Å; P188-K191 PolarHBondContact O-N 3.19Å; P188-I192 PolarHBondContact O-N 3.04Å
189R92.5Very high94.1Very high190 Ų19064.4 Ų64.472%0.71730%0.301SS*.G310 helixtrans-50.7-34.7-179.2-171.8172.6177.3173.9-1.8114.8T163 K191 I192T163-R189 WeakPolarHBondContact O-CB 3.02Å; T163-R189 PolarHBondContact O-N 2.88Å; R189-K191 VanDerWaalsContact C-N 3.26Å; R189-K191 PolarHBondContact O-N 3.38Å; R189-I192 HydrophobicContact CG-CD1 4.32Å
190K92.6Very high93.7Very high193 Ų19362.6 Ų62.684%0.83929%0.29SS*.G310 helixtrans-71.9-17.4178.1-61.4-176.1-177.9179.70113.7P188P188-K190 PolarHBondContact O-N 3.49Å
191K93.4Very high93.5Very high104 Ų10463.8 Ų63.845%0.45230%0.295SS..G310 helixtrans-11212.6-175.4-68.4-169.7173.9-174.30114.4V187 P188 R189 T196 R197V187-K191 HydrophobicContact CB-CB 4.31Å; P188-K191 WeakPolarHBondContact O-CA 3.2Å; P188-K191 PolarHBondContact O-N 3.19Å; R189-K191 VanDerWaalsContact C-N 3.26Å; R189-K191 PolarHBondContact O-N 3.38Å; K191-T196 VanDerWaalsContact CA-OG1 3.26Å; K191-T196 WeakPolarHBondContact CA-OG1 3.34Å; K191-R197 PolarHBondContact O-NE 2.83Å
192I93.7Very high93.2Very high37 Ų3765.5 Ų65.519%0.1931%0.306CS..  trans-62.6-44.9179.1-68175.4000110.4Y138 A165 V187 P188 R189 R197Y138-I192 HydrophobicContact CD1-CG2 3.69Å; Y138-I192 HydrophobicContact CD2-CG2 4.39Å; Y138-I192 HydrophobicContact CE1-CG2 3.84Å; Y138-I192 WeakPolarHBondContact CE1-O 3.42Å; Y138-I192 HydrophobicContact CG-CG2 3.97Å; A165-I192 HydrophobicContact CB-CD1 3.95Å; A165-I192 HydrophobicContact CB-CG1 3.97Å; V187-I192 HydrophobicContact CG2-CG1 4.02Å; P188-I192 PolarHBondContact O-N 3.04Å; R189-I192 HydrophobicContact CG-CD1 4.32Å; I192-R197 PolarHBondContact O-NH2 3.22Å
193K92.9Very high92.8Very high138 Ų13871.7 Ų71.760%0.634%0.339SS*.SBendtrans-65.3132.6-178.5-68.1-173.6175.2-169.40111.6E195 T196K193-E195 VanDerWaalsContact C-N 3.28Å; K193-E195 PolarHBondContact O-N 3.43Å; K193-T196 HydrophobicContact CB-CG2 4.16Å; K193-T196 PolarHBondContact O-N 2.99Å; K193-T196 PolarHBondContact O-OG1 3.37Å
194P93.3Very high92.5Very high41 Ų4177.6 Ų77.627%0.26637%0.37SS..G310 helixtrans-52.4-43.2179.5-3037.5000113.8Y138 T196 R197 M198Y138-P194 WeakPolarHBondContact OH-CD 3.35Å; Y138-P194 WeakPolarHBondContact OH-CG 3.47Å; P194-T196 PolarHBondContact O-N 3.37Å; P194-R197 CarbonylContact O-C 3.58Å; P194-R197 WeakPolarHBondContact O-CG 3.46Å; P194-R197 PolarHBondContact O-N 3.09Å; P194-M198 PolarHBondContact O-N 3.2Å
195E92.5Very high92.4Very high152 Ų15282.3 Ų82.371%0.7139%0.393SS*.G310 helixtrans-54.6-28.4179.6-61.3163.8-134.700113.6K193 R197K193-E195 VanDerWaalsContact C-N 3.28Å; K193-E195 PolarHBondContact O-N 3.43Å; E195-R197 VanDerWaalsContact C-N 3.28Å; E195-R197 PolarHBondContact O-N 3.06Å
196T93.1Very high92.3Very high68 Ų6883.8 Ų83.842%0.41740%0.402SS..G310 helixtrans-84.9-2.8-178.864.80000113.4K191 K193 P194K191-T196 VanDerWaalsContact CA-OG1 3.26Å; K191-T196 WeakPolarHBondContact CA-OG1 3.34Å; K193-T196 HydrophobicContact CB-CG2 4.16Å; K193-T196 PolarHBondContact O-N 2.99Å; K193-T196 PolarHBondContact O-OG1 3.37Å; P194-T196 PolarHBondContact O-N 3.37Å
197R92.9Very high92.3Very high7 Ų786.8 Ų86.83%0.02642%0.418CS..G310 helixtrans-142.438.2-17658.6171.2160.288.65.1113E136 Y138 K191 I192 P194 E195 K199 G200 Q201E136-R197 IonicContact OE1-NH1 3.37Å; E136-R197 PolarHBondContact OE1-NH1 2.86Å; E136-R197 VanDerWaalsContact OE1-NH1 3.08Å; E136-R197 IonicContact OE2-CZ 2.73Å; E136-R197 IonicContact OE2-NH1 3.52Å; E136-R197 PolarHBondContact OE2-NH1 3.18Å; E136-R197 IonicContact OE2-NH2 3.58Å; E136-R197 PolarHBondContact OE2-NH2 2.78Å; Y138-R197 PolarHBondContact OH-NH2 2.87Å; K191-R197 PolarHBondContact O-NE 2.83Å; I192-R197 PolarHBondContact O-NH2 3.22Å; P194-R197 CarbonylContact O-C 3.58Å; P194-R197 WeakPolarHBondContact O-CG 3.46Å; P194-R197 PolarHBondContact O-N 3.09Å; E195-R197 VanDerWaalsContact C-N 3.28Å; E195-R197 PolarHBondContact O-N 3.06Å; R197-K199 PolarHBondContact O-N 3.45Å; R197-K199 VanDerWaalsContact O-N 3.1Å; R197-G200 PolarHBondContact O-N 3.13Å; R197-Q201 VanDerWaalsContact NH1-CD 3.28Å
198M90.8Very high92.3Very high121 Ų12186.7 Ų86.760%0.59642%0.418SS*.G310 helixtrans-51.2-36.2-178.1-65.6-56.7-62.200114.2P194 G200 Q201P194-M198 PolarHBondContact O-N 3.2Å; M198-G200 PolarHBondContact O-N 3.48Å; M198-G200 VanDerWaalsContact O-N 3.16Å; M198-Q201 PolarHBondContact O-N 2.8Å
199K89.6Confident92.4Very high179 Ų17985.1 Ų85.178%0.77841%0.407SS*.G310 helixtrans-60.4-25.3177.1-65.6-171178.3-172.60113.8R197R197-K199 PolarHBondContact O-N 3.45Å; R197-K199 VanDerWaalsContact O-N 3.1Å
200G87.3Confident92.5Very high0 Ų076.1 Ų76.10%037%0.373CS..G310 helixtrans-85.9-12.5175.200000113.9R184 R197 M198 V202R184-G200 PolarHBondContact NH2-O 3.28Å; R197-G200 PolarHBondContact O-N 3.13Å; M198-G200 PolarHBondContact O-N 3.48Å; M198-G200 VanDerWaalsContact O-N 3.16Å; G200-V202 PolarHBondContact O-N 3Å
201Q90.6Very high92.6Very high26 Ų2667.4 Ų67.412%0.12134%0.336CS..  trans-88.987.3-179.2-55.4-58.468.300108.3H133 E136 R197 M198H133-Q201 PolarHBondContact CE1-OE1 3.05Å; H133-Q201 PolarHBondContact ND1-OE1 3Å; E136-Q201 PolarHBondContact OE1-NE2 3.4Å; E136-Q201 PolarHBondContact OE1-OE1 3.18Å; E136-Q201 PolarHBondContact OE2-NE2 3.48Å; R197-Q201 VanDerWaalsContact NH1-CD 3.28Å; M198-Q201 PolarHBondContact O-N 2.8Å
202V91.4Very high92.6Very high35 Ų3562.5 Ų62.521%0.21232%0.315CS..  trans-96.8125.6-178.1-62.70000108.6Y131 H133 G200 V206 I259Y131-V202 HydrophobicContact CD2-CG2 4.31Å; H133-V202 PolarHBondContact NE2-N 3.18Å; H133-V202 PolarHBondContact NE2-O 2.83Å; G200-V202 PolarHBondContact O-N 3Å; V202-V206 HydrophobicContact CG2-CG1 4.01Å; V202-I259 HydrophobicContact CG1-CD1 4.43Å; V202-I259 HydrophobicContact CG1-CG2 3.82Å; V202-I259 HydrophobicContact CG2-CD1 3.44Å; V202-I259 VanDerWaalsContact CG2-CD1 3.44Å; V202-I259 HydrophobicContact CG2-CG1 4.4Å
203D89.4Confident92.6Very high131 Ų13162.3 Ų62.370%0.70131%0.312SS*.  trans-91.5-9.9179.1-59.8-40.4000112.1H133H133-D203 IonicContact CD2-OD1 3.2Å
204D90.8Very high92.6Very high127 Ų12757.6 Ų57.668%0.67929%0.293SS*.SBendtrans-75.4162.6179.4-62.3-47.8000112.7
205E93.6Very high92.6Very high108 Ų10859.3 Ų59.351%0.50530%0.303SS..  trans-69.5132.9173.7-159.5176.5-151.500111.2R128 G129 S174R128-E205 HydrophobicContact CG-CG 3.76Å; R128-E205 WeakPolarHBondContact CG-OE1 3.36Å; G129-E205 CarbonylContact O-C 3.58Å; G129-E205 WeakPolarHBondContact O-CA 3.49Å; S174-E205 WeakPolarHBondContact CB-OE1 3.42Å; S174-E205 PolarHBondContact OG-OE1 2.81Å
206V94.3Very high92.6Very high32 Ų3254.9 Ų54.919%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-126.7142.6-177.1-60.90000111.9R128 G129 Y131 F171 V202 L208R128-V206 WeakPolarHBondContact CA-O 3.49Å; G129-V206 PolarHBondContact N-O 3.42Å; G129-V206 PolarHBondContact O-N 3.18Å; Y131-V206 HydrophobicContact CD2-CG2 4.29Å; Y131-V206 HydrophobicContact CE2-CG2 3.71Å; F171-V206 HydrophobicContact CE2-CG2 3.6Å; F171-V206 HydrophobicContact CZ-CG2 4.04Å; V202-V206 HydrophobicContact CG2-CG1 4.01Å; V206-L208 PolarHBondContact O-N 3.1Å
207D94.8Very high92.5Very high74 Ų7459.2 Ų59.240%0.39630%0.301SS..EExtended strand (participates in β ladder)trans-82108.5165.5-87.5-2.5000108.8K126 R128K126-D207 WeakPolarHBondContact CE-OD2 3.19Å; K126-D207 IonicContact NZ-OD2 3.78Å; K126-D207 PolarHBondContact NZ-OD2 2.81Å; R128-D207 IonicContact CZ-OD1 3.17Å; R128-D207 IonicContact NE-OD1 3.02Å; R128-D207 PolarHBondContact NE-OD1 2.78Å; R128-D207 IonicContact NH2-OD1 2.7Å; R128-D207 PolarHBondContact NH2-OD1 3.35Å; R128-D207 IonicContact NH2-OD2 2.81Å; R128-D207 PolarHBondContact NH2-OD2 3.12Å
208L94.9Very high92.5Very high2 Ų264.3 Ų64.31%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-102.5127.5179.3173.266.6000110.3K126 V127 F171 V182 V206 A253K126-L208 WeakPolarHBondContact CA-O 3.44Å; V127-L208 HydrophobicContact CG2-CB 3.93Å; V127-L208 HydrophobicContact CG2-CD2 3.9Å; V127-L208 HydrophobicContact CG2-CG 4.17Å; V127-L208 PolarHBondContact N-O 3.24Å; V127-L208 PolarHBondContact O-N 2.94Å; F171-L208 HydrophobicContact CZ-CB 4.28Å; V182-L208 HydrophobicContact CB-CD2 4.14Å; V182-L208 HydrophobicContact CG1-CD1 4.42Å; V182-L208 HydrophobicContact CG1-CD2 3.52Å; V182-L208 HydrophobicContact CG2-CD2 3.49Å; V182-L208 VanDerWaalsContact CG2-CD2 3.49Å; V206-L208 PolarHBondContact O-N 3.1Å; L208-A253 HydrophobicContact CD1-CB 3.78Å
209V95.9Very high92.4Very high23 Ų2365.9 Ų65.914%0.13932%0.324CS..EExtended strand (participates in β ladder)trans-109.9135.3165.1179.30000108P107 V125 K126 D254 S257P107-V209 HydrophobicContact CB-CG1 4.08Å; P107-V209 HydrophobicContact CG-CG1 3.61Å; P107-V209 HydrophobicContact CG-CG2 4.3Å; V125-V209 WeakPolarHBondContact O-CA 3.37Å; K126-V209 HydrophobicContact CB-CG2 4.33Å; K126-V209 HydrophobicContact CD-CG2 4.48Å; K126-V209 HydrophobicContact CG-CG2 4.1Å; V209-D254 HydrophobicContact CG1-CB 4.44Å; V209-D254 WeakPolarHBondContact O-CB 3.12Å; V209-D254 PolarHBondContact O-N 3.32Å; V209-S257 PolarHBondContact N-OG 2.91Å; V209-S257 PolarHBondContact O-OG 3.46Å
210G94.4Very high92.4Very high1 Ų162.3 Ų62.31%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-160.1-179175.300000113.1R124 V125 I251 D252R124-G210 CarbonylContact C-O 3.56Å; R124-G210 WeakPolarHBondContact CA-O 3.34Å; V125-G210 PolarHBondContact N-O 2.92Å; V125-G210 PolarHBondContact O-N 3.07Å; G210-I251 VanDerWaalsContact C-CG2 3.45Å; G210-D252 CarbonylContact C-O 3.54Å; G210-D252 WeakPolarHBondContact CA-O 3.4Å
211V94.2Very high92.6Very high9 Ų972 Ų726%0.05536%0.362CS..EExtended strand (participates in β ladder)trans-107.1124.5-174.8-1800000109.2T103 Y122 R123 R124 R213 I251 D252 T268T103-V211 HydrophobicContact CG2-CG1 4.45Å; Y122-V211 VanDerWaalsContact CA-CG1 3.45Å; R123-V211 WeakPolarHBondContact O-CA 3.46Å; R124-V211 HydrophobicContact CG-CG2 4.21Å; V211-R213 PolarHBondContact O-N 3.2Å; V211-I251 WeakPolarHBondContact O-CA 3.27Å; V211-D252 PolarHBondContact N-O 2.9Å; V211-D252 PolarHBondContact O-N 3.49Å; V211-T268 HydrophobicContact CG1-CG2 4.41Å
212V94.1Very high92.5Very high1 Ų172.7 Ų72.71%0.00637%0.368CS..EExtended strand (participates in β ladder)trans-65.3132.2175.7173.40000109.5L110 L117 L120 Y122 R123 V125L110-V212 HydrophobicContact CD1-CG2 4.49Å; L117-V212 HydrophobicContact CD1-CG1 3.69Å; L117-V212 HydrophobicContact CD1-CG2 4.02Å; L117-V212 HydrophobicContact CG-CG1 4Å; L120-V212 HydrophobicContact CB-CB 4.5Å; L120-V212 HydrophobicContact CB-CG1 4.41Å; L120-V212 WeakPolarHBondContact O-CB 3.27Å; Y122-V212 PolarHBondContact N-O 2.79Å; R123-V212 PolarHBondContact O-N 3.25Å; V125-V212 HydrophobicContact CB-CG2 4.3Å; V125-V212 HydrophobicContact CG1-CG2 3.58Å; V125-V212 HydrophobicContact CG2-CG2 3.69Å
213R93.8Very high92.6Very high33 Ų3374.6 Ų74.613%0.12538%0.38CS..  trans-136139.3175.7-61.9-65.2-56.8-79.55.7110.6E121 Y122 V211 R235 F250 D252E121-R213 IonicContact OE1-NE 3.13Å; Y122-R213 PolarHBondContact OH-NH2 3.49Å; V211-R213 PolarHBondContact O-N 3.2Å; R213-R235 PolarHBondContact O-NH1 3.28Å; R213-F250 HydrophobicContact CB-CD1 4.01Å; R213-F250 HydrophobicContact CB-CE1 4.32Å; R213-F250 PolarHBondContact N-O 2.96Å; R213-D252 HydrophobicContact CG-CB 4.47Å; R213-D252 WeakPolarHBondContact CG-OD2 3.24Å; R213-D252 IonicContact NH1-OD2 3.94Å
214L92.8Very high92.9Very high39 Ų3973.4 Ų73.420%0.20437%0.371CS..PPolyproline II helixtrans-90.9162.4-178.4-55.8179.6000112.7E121 R235E121-L214 HydrophobicContact CB-CD1 4.11Å; E121-L214 HydrophobicContact CB-CG 4.1Å; E121-L214 HydrophobicContact CG-CD1 4.37Å; E121-L214 HydrophobicContact CG-CG 4.04Å; L214-R235 VanDerWaalsContact C-NH1 3.32Å; L214-R235 PolarHBondContact O-NH1 3.36Å; L214-R235 PolarHBondContact O-NH2 3.47Å
215T93.9Very high93.1Very high78 Ų7868.1 Ų68.148%0.47934%0.343SS..PPolyproline II helixtrans-50.8140.7179.9-163.40000112.7R235 L237T215-R235 PolarHBondContact OG1-O 3.24Å; T215-L237 PolarHBondContact OG1-N 3.32Å
216E92Very high93.2Very high58 Ų5865.2 Ų65.227%0.27133%0.33SS..PPolyproline II helixtrans-87.4130.8-179.2-74174.4-172.700111.1R142 R218 R235R142-E216 IonicContact NH2-OE1 2.63Å; R142-E216 IonicContact NH2-OE2 2.9Å; E216-R218 PolarHBondContact O-N 3.32Å; E216-R235 HydrophobicContact CB-CB 4.25Å; E216-R235 HydrophobicContact CG-CB 3.93Å; E216-R235 PolarHBondContact N-O 2.78Å; E216-R235 IonicContact OE1-CZ 2.86Å; E216-R235 IonicContact OE1-NE 3.08Å; E216-R235 PolarHBondContact OE1-NE 2.94Å; E216-R235 IonicContact OE1-NH2 2.91Å; E216-R235 PolarHBondContact OE1-NH2 3.45Å; E216-R235 PolarHBondContact OE2-N 2.83Å
217I90.8Very high93.3Very high159 Ų15966.4 Ų66.482%0.81534%0.337SS*.PPolyproline II helixtrans-72.2119.1167.5-56.7173.4000108.2K219I217-K219 PolarHBondContact O-N 2.99Å
218R92.3Very high93.2Very high114 Ų11470.6 Ų70.643%0.4336%0.36SS..PPolyproline II helixtrans-56.2123.4176.3-177.6-177.8164-138.3-9.9110.5E216 V222 Y234E216-R218 PolarHBondContact O-N 3.32Å; R218-V222 HydrophobicContact CG-CB 4.34Å; R218-V222 PolarHBondContact NE-O 3.44Å; R218-V222 PolarHBondContact NH2-O 3.22Å; R218-Y234 HydrophobicContact CB-CD1 4.32Å; R218-Y234 HydrophobicContact CB-CD2 4.31Å; R218-Y234 HydrophobicContact CB-CE1 4.08Å; R218-Y234 HydrophobicContact CB-CE2 4.07Å; R218-Y234 HydrophobicContact CB-CG 4.44Å; R218-Y234 HydrophobicContact CG-CD1 4.03Å; R218-Y234 HydrophobicContact CG-CE1 3.78Å
219K90.3Very high93.2Very high154 Ų15479.6 Ų79.667%0.6739%0.394SS*.PPolyproline II helixtrans-77.5151.4176.5-65.1179.6-177.2175.20110.9I217 F221 V222I217-K219 PolarHBondContact O-N 2.99Å; K219-F221 PolarHBondContact O-N 2.91Å; K219-V222 HydrophobicContact CB-CG2 3.9Å; K219-V222 PolarHBondContact O-N 3.36Å
220P89.9Confident93.2Very high105 Ų10580.8 Ų80.868%0.68240%0.399SS*.THydrogen-bonded Turntrans-52.2141.9168.5-24.234.2000110.5V222P220-V222 PolarHBondContact O-N 3.39Å
221F89.7Confident93.2Very high204 Ų20486.4 Ų86.490%0.89542%0.42SS*.THydrogen-bonded Turntrans69.52.6-179.6-44.3-76.8000116.7K219K219-F221 PolarHBondContact O-N 2.91Å
222V90.1Very high93.3Very high40 Ų4086 Ų8624%0.24242%0.418CS..PPolyproline II helixtrans-81.9130.3164.5179.70000108.3R218 K219 P220 H233 Y234R218-V222 HydrophobicContact CG-CB 4.34Å; R218-V222 PolarHBondContact NE-O 3.44Å; R218-V222 PolarHBondContact NH2-O 3.22Å; K219-V222 HydrophobicContact CB-CG2 3.9Å; K219-V222 PolarHBondContact O-N 3.36Å; P220-V222 PolarHBondContact O-N 3.39Å; V222-H233 HydrophobicContact CG1-CB 3.84Å; V222-Y234 HydrophobicContact CG1-CD1 4.04Å
223P93.1Very high93.4Very high74 Ų7488.1 Ų88.148%0.48143%0.427SS..PPolyproline II helixtrans-61.9159.7175.4-19.231.1000112.2
224Q94.5Very high93.4Very high106 Ų10687.3 Ų87.350%0.49543%0.425SS..PPolyproline II helixtrans-70.1148172.8-165.664.320.700109.8H233 Y234Q224-H233 PolarHBondContact O-CD2 3.08Å; Q224-Y234 PolarHBondContact NE2-OH 3.47Å
225N96Very high93.5Very high17 Ų1785.8 Ų85.89%0.09142%0.416CS..PPolyproline II helixtrans-59.1139.5173.8-67.5-28.2000110.9W232 H233 Y234 D236N225-W232 HydrophobicContact CB-CD2 4.42Å; N225-W232 HydrophobicContact CB-CE3 3.77Å; N225-W232 HydrophobicContact CB-CZ3 4.2Å; N225-H233 PolarHBondContact OD1-N 2.87Å; N225-Y234 PolarHBondContact ND2-O 3.26Å; N225-Y234 WeakPolarHBondContact OD1-CD1 3.47Å; N225-Y234 PolarHBondContact OD1-N 3.41Å; N225-Y234 PolarHBondContact OD1-O 3.38Å; N225-D236 WeakPolarHBondContact ND2-CB 3.47Å
226D95.9Very high93.6Very high46 Ų4683.1 Ų83.125%0.24640%0.399CS..BIsolated β-bridgetrans-10794.3177.5179.6-14.8000107.9R229 N230 R231D226-R229 WeakPolarHBondContact OD1-CB 3.36Å; D226-R229 PolarHBondContact OD1-N 3.14Å; D226-R229 VanDerWaalsContact OD2-CD 3.29Å; D226-R229 WeakPolarHBondContact OD2-CD 3.23Å; D226-R229 WeakPolarHBondContact OD2-CG 3.37Å; D226-N230 PolarHBondContact O-N 3Å; D226-R231 HydrophobicContact CB-CB 4.25Å; D226-R231 PolarHBondContact N-O 3.35Å; D226-R231 PolarHBondContact O-N 2.91Å
227V95.2Very high93.8Very high57 Ų5780.8 Ų80.835%0.34539%0.388SS..THydrogen-bonded Turntrans-68.1-43.2-174.9-179.50000110.7R229 N230 W232 T239 V243V227-R229 VanDerWaalsContact C-N 3.31Å; V227-R229 PolarHBondContact O-N 3.24Å; V227-N230 PolarHBondContact O-N 3.4Å; V227-W232 HydrophobicContact CG2-CH2 4.06Å; V227-W232 HydrophobicContact CG2-CZ2 4.32Å; V227-T239 HydrophobicContact CG2-CG2 3.83Å; V227-V243 HydrophobicContact CG1-CG2 3.53Å
228D94.2Very high93.9Very high163 Ų16378 Ų7887%0.87237%0.372SS*.THydrogen-bonded Turntrans-62.5-37.9-176.5-59.3-35.1000112.3N230D228-N230 VanDerWaalsContact C-N 3.34Å
229R94.8Very high94.1Very high190 Ų19074.7 Ų74.772%0.71736%0.364SS*.THydrogen-bonded Turntrans-91.93.4176.2-59.2-171.7178159.7-5113.6D226 V227 R231D226-R229 WeakPolarHBondContact OD1-CB 3.36Å; D226-R229 PolarHBondContact OD1-N 3.14Å; D226-R229 VanDerWaalsContact OD2-CD 3.29Å; D226-R229 WeakPolarHBondContact OD2-CD 3.23Å; D226-R229 WeakPolarHBondContact OD2-CG 3.37Å; V227-R229 VanDerWaalsContact C-N 3.31Å; V227-R229 PolarHBondContact O-N 3.24Å; R229-R231 VanDerWaalsContact C-N 3.27Å; R229-R231 HydrophobicContact CB-CG 4.25Å; R229-R231 PolarHBondContact O-N 2.97Å
230N95.3Very high94.4Very high48 Ų4867.3 Ų67.326%0.25733%0.332SS..THydrogen-bonded Turntrans52.444.8-176.7-168.317.8000113.1E136 M137 D226 V227 D228 W232E136-N230 PolarHBondContact O-ND2 3Å; M137-N230 VanDerWaalsContact CA-OD1 3.3Å; M137-N230 WeakPolarHBondContact CA-OD1 3.36Å; D226-N230 PolarHBondContact O-N 3Å; V227-N230 PolarHBondContact O-N 3.4Å; D228-N230 VanDerWaalsContact C-N 3.34Å; N230-W232 PolarHBondContact OD1-NE1 3.07Å
231R95.3Very high94.7Very high120 Ų12062.7 Ų62.745%0.45330%0.303SS..EExtended strand (participates in β ladder)trans-117.9105.8179.3-69.1176.665.4112.51.9109.5D226 R229D226-R231 HydrophobicContact CB-CB 4.25Å; D226-R231 PolarHBondContact N-O 3.35Å; D226-R231 PolarHBondContact O-N 2.91Å; R229-R231 VanDerWaalsContact C-N 3.27Å; R229-R231 HydrophobicContact CB-CG 4.25Å; R229-R231 PolarHBondContact O-N 2.97Å
232W96.3Very high95Very high1 Ų162.1 Ų62.10%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-103.1138.8-178.1-56.479.1000109.6M137 Y138 I139 L140 N225 V227 N230 D236 T239 M240 V243M137-W232 HydrophobicContact CG-CZ2 4.32Å; M137-W232 HydrophobicContact SD-CH2 4.32Å; M137-W232 HydrophobicContact SD-CZ2 3.61Å; Y138-W232 WeakPolarHBondContact O-CB 3.24Å; Y138-W232 PolarHBondContact O-N 2.91Å; I139-W232 CarbonylContact C-O 3.53Å; I139-W232 VanDerWaalsContact CA-O 3.26Å; I139-W232 WeakPolarHBondContact CA-O 3.29Å; I139-W232 HydrophobicContact CB-CB 4.45Å; I139-W232 HydrophobicContact CG1-CB 3.95Å; L140-W232 PolarHBondContact N-O 3.47Å; N225-W232 HydrophobicContact CB-CD2 4.42Å; N225-W232 HydrophobicContact CB-CE3 3.77Å; N225-W232 HydrophobicContact CB-CZ3 4.2Å; V227-W232 HydrophobicContact CG2-CH2 4.06Å; V227-W232 HydrophobicContact CG2-CZ2 4.32Å; N230-W232 PolarHBondContact OD1-NE1 3.07Å; W232-D236 HydrophobicContact CZ3-CB 4.46Å; W232-T239 HydrophobicContact CH2-CG2 3.81Å; W232-T239 HydrophobicContact CZ3-CG2 3.96Å; W232-M240 HydrophobicContact CB-CE 4.07Å; W232-M240 HydrophobicContact CD2-CE 3.61Å; W232-M240 HydrophobicContact CD2-CG 4.29Å; W232-M240 HydrophobicContact CE3-CE 3.35Å; W232-M240 HydrophobicContact CE3-CG 3.77Å; W232-M240 HydrophobicContact CE3-SD 4.45Å; W232-M240 HydrophobicContact CG-CE 3.92Å; W232-M240 HydrophobicContact CH2-CB 4.28Å; W232-M240 HydrophobicContact CH2-CG 3.55Å; W232-M240 HydrophobicContact CZ2-CG 4.09Å; W232-M240 HydrophobicContact CZ3-CB 4.43Å; W232-M240 HydrophobicContact CZ3-CE 3.99Å; W232-M240 HydrophobicContact CZ3-CG 3.38Å; W232-V243 HydrophobicContact CH2-CG2 4.49Å
233H94.6Very high95.2Very high44 Ų4463.5 Ų63.520%0.20430%0.303CS..SBendtrans-106.8-29.5179-67.3-53.9000112.4L140 V222 Q224 N225L140-H233 PolarHBondContact O-ND1 3.3Å; V222-H233 HydrophobicContact CG1-CB 3.84Å; Q224-H233 PolarHBondContact O-CD2 3.08Å; N225-H233 PolarHBondContact OD1-N 2.87Å
234Y94.3Very high95.4Very high17 Ų1760.6 Ų60.67%0.06728%0.284CS..SBendtrans-143.7162.8176.663.5-84.8000109.4R218 V222 Q224 N225 D236R218-Y234 HydrophobicContact CB-CD1 4.32Å; R218-Y234 HydrophobicContact CB-CD2 4.31Å; R218-Y234 HydrophobicContact CB-CE1 4.08Å; R218-Y234 HydrophobicContact CB-CE2 4.07Å; R218-Y234 HydrophobicContact CB-CG 4.44Å; R218-Y234 HydrophobicContact CG-CD1 4.03Å; R218-Y234 HydrophobicContact CG-CE1 3.78Å; V222-Y234 HydrophobicContact CG1-CD1 4.04Å; Q224-Y234 PolarHBondContact NE2-OH 3.47Å; N225-Y234 PolarHBondContact ND2-O 3.26Å; N225-Y234 WeakPolarHBondContact OD1-CD1 3.47Å; N225-Y234 PolarHBondContact OD1-N 3.41Å; N225-Y234 PolarHBondContact OD1-O 3.38Å; Y234-D236 HydrophobicContact CD2-CB 4.22Å; Y234-D236 HydrophobicContact CE2-CB 3.71Å; Y234-D236 PolarHBondContact O-N 3.44Å; Y234-D236 PolarHBondContact OH-OD2 3.47Å
235R95.6Very high95.4Very high6 Ų658.8 Ų58.82%0.02329%0.293CS..  trans-82.9106.2-177.3178.2159.550.196.714111.1I139 R213 L214 T215 E216 L237 F250I139-R235 HydrophobicContact CD1-CB 4.42Å; R213-R235 PolarHBondContact O-NH1 3.28Å; L214-R235 VanDerWaalsContact C-NH1 3.32Å; L214-R235 PolarHBondContact O-NH1 3.36Å; L214-R235 PolarHBondContact O-NH2 3.47Å; T215-R235 PolarHBondContact OG1-O 3.24Å; E216-R235 HydrophobicContact CB-CB 4.25Å; E216-R235 HydrophobicContact CG-CB 3.93Å; E216-R235 PolarHBondContact N-O 2.78Å; E216-R235 IonicContact OE1-CZ 2.86Å; E216-R235 IonicContact OE1-NE 3.08Å; E216-R235 PolarHBondContact OE1-NE 2.94Å; E216-R235 IonicContact OE1-NH2 2.91Å; E216-R235 PolarHBondContact OE1-NH2 3.45Å; E216-R235 PolarHBondContact OE2-N 2.83Å; R235-L237 HydrophobicContact CG-CD2 3.61Å; R235-L237 HydrophobicContact CG-CG 4.33Å; R235-F250 VanDerWaalsContact CD-CE2 3.43Å; R235-F250 HydrophobicContact CG-CD2 4.31Å; R235-F250 HydrophobicContact CG-CE2 4.21Å; R235-F250 HydrophobicContact CG-CZ 4.37Å
236D95.9Very high95.3Very high23 Ų2358.4 Ų58.412%0.12329%0.293CS..  trans-114.392.5-179.9-170.5-42000108.4N225 W232 Y234 E238 T239 M240N225-D236 WeakPolarHBondContact ND2-CB 3.47Å; W232-D236 HydrophobicContact CZ3-CB 4.46Å; Y234-D236 HydrophobicContact CD2-CB 4.22Å; Y234-D236 HydrophobicContact CE2-CB 3.71Å; Y234-D236 PolarHBondContact O-N 3.44Å; Y234-D236 PolarHBondContact OH-OD2 3.47Å; D236-E238 VanDerWaalsContact C-N 3.31Å; D236-E238 PolarHBondContact O-N 3.46Å; D236-T239 PolarHBondContact O-N 3.4Å; D236-T239 WeakPolarHBondContact OD1-CB 3.5Å; D236-T239 PolarHBondContact OD1-N 2.88Å; D236-T239 PolarHBondContact OD1-OG1 3.48Å; D236-T239 PolarHBondContact OD2-OG1 2.99Å; D236-M240 VanDerWaalsContact O-CB 3.32Å; D236-M240 WeakPolarHBondContact O-CB 3.08Å; D236-M240 WeakPolarHBondContact O-CG 3.38Å; D236-M240 PolarHBondContact O-N 3.43Å
237L94.8Very high95.2Very high8 Ų861.2 Ų61.24%0.04230%0.304CS..Hα-helixtrans-66.4-34.3-170.6-60.6-172.4000112.6L181 T215 R235 A241 Q248 F250L181-L237 HydrophobicContact CD1-CD2 4.15Å; T215-L237 PolarHBondContact OG1-N 3.32Å; R235-L237 HydrophobicContact CG-CD2 3.61Å; R235-L237 HydrophobicContact CG-CG 4.33Å; L237-A241 WeakPolarHBondContact O-CB 3.29Å; L237-A241 PolarHBondContact O-N 2.86Å; L237-Q248 HydrophobicContact CB-CB 4.41Å; L237-F250 HydrophobicContact CD1-CB 3.81Å; L237-F250 HydrophobicContact CD2-CB 3.41Å; L237-F250 VanDerWaalsContact CD2-CB 3.41Å; L237-F250 HydrophobicContact CD2-CD2 3.7Å; L237-F250 HydrophobicContact CD2-CG 3.77Å; L237-F250 HydrophobicContact CG-CB 4.27Å
238E94.6Very high95.2Very high101 Ų10163.9 Ų63.947%0.47231%0.313SS..Hα-helixtrans-63.8-48.8177.9-174.7-174166.200110.8D236 R242D236-E238 VanDerWaalsContact C-N 3.31Å; D236-E238 PolarHBondContact O-N 3.46Å; E238-R242 WeakPolarHBondContact O-CB 3.41Å; E238-R242 PolarHBondContact O-N 3.21Å; E238-R242 IonicContact OE1-NH2 3.18Å; E238-R242 PolarHBondContact OE1-NH2 3.44Å
239T95.8Very high95.2Very high44 Ų4456.7 Ų56.727%0.2728%0.275SS..Hα-helixtrans-69.2-41.6-179.3-51.20000111.1V227 W232 D236 R242 V243V227-T239 HydrophobicContact CG2-CG2 3.83Å; W232-T239 HydrophobicContact CH2-CG2 3.81Å; W232-T239 HydrophobicContact CZ3-CG2 3.96Å; D236-T239 PolarHBondContact O-N 3.4Å; D236-T239 WeakPolarHBondContact OD1-CB 3.5Å; D236-T239 PolarHBondContact OD1-N 2.88Å; D236-T239 PolarHBondContact OD1-OG1 3.48Å; D236-T239 PolarHBondContact OD2-OG1 2.99Å; T239-R242 PolarHBondContact O-N 3.41Å; T239-V243 VanDerWaalsContact O-CG2 3.3Å; T239-V243 WeakPolarHBondContact O-CG2 3.28Å; T239-V243 PolarHBondContact O-N 2.95Å
240M96.6Very high95.2Very high0 Ų047.8 Ų47.80%024%0.241CC..Hα-helixtrans-62.7-47.6177.6-71.2176.2174.600111.6M137 I139 L181 W232 D236 R242 V243 T244M137-M240 HydrophobicContact CE-CB 4.02Å; M137-M240 HydrophobicContact CE-CG 4.2Å; M137-M240 HydrophobicContact SD-CB 3.98Å; M137-M240 HydrophobicContact SD-CG 3.79Å; I139-M240 HydrophobicContact CD1-CE 4.03Å; I139-M240 HydrophobicContact CG1-CE 4.09Å; L181-M240 HydrophobicContact CD1-CB 3.49Å; L181-M240 VanDerWaalsContact CD1-CB 3.49Å; L181-M240 HydrophobicContact CD1-SD 4.43Å; W232-M240 HydrophobicContact CB-CE 4.07Å; W232-M240 HydrophobicContact CD2-CE 3.61Å; W232-M240 HydrophobicContact CD2-CG 4.29Å; W232-M240 HydrophobicContact CE3-CE 3.35Å; W232-M240 HydrophobicContact CE3-CG 3.77Å; W232-M240 HydrophobicContact CE3-SD 4.45Å; W232-M240 HydrophobicContact CG-CE 3.92Å; W232-M240 HydrophobicContact CH2-CB 4.28Å; W232-M240 HydrophobicContact CH2-CG 3.55Å; W232-M240 HydrophobicContact CZ2-CG 4.09Å; W232-M240 HydrophobicContact CZ3-CB 4.43Å; W232-M240 HydrophobicContact CZ3-CE 3.99Å; W232-M240 HydrophobicContact CZ3-CG 3.38Å; D236-M240 VanDerWaalsContact O-CB 3.32Å; D236-M240 WeakPolarHBondContact O-CB 3.08Å; D236-M240 WeakPolarHBondContact O-CG 3.38Å; D236-M240 PolarHBondContact O-N 3.43Å; M240-R242 VanDerWaalsContact C-N 3.32Å; M240-R242 PolarHBondContact O-N 2.87Å; M240-V243 PolarHBondContact O-N 3.24Å; M240-T244 PolarHBondContact O-N 3.49Å; M240-T244 VanDerWaalsContact O-N 3.1Å; M240-T244 PolarHBondContact O-OG1 3.44Å; M240-T244 VanDerWaalsContact O-OG1 3.08Å
241A95.6Very high95.2Very high8 Ų845.5 Ų45.57%0.06623%0.229CC..Hα-helixtrans-57.2-44.2176.100000112L237 V243 T244 G245 A246 Q248L237-A241 WeakPolarHBondContact O-CB 3.29Å; L237-A241 PolarHBondContact O-N 2.86Å; A241-V243 VanDerWaalsContact C-N 3.29Å; A241-V243 PolarHBondContact O-N 3.25Å; A241-T244 PolarHBondContact O-N 3.38Å; A241-G245 WeakPolarHBondContact O-CA 3.49Å; A241-G245 PolarHBondContact O-N 3.29Å; A241-A246 WeakPolarHBondContact CA-O 3.36Å; A241-A246 WeakPolarHBondContact CB-O 3.27Å; A241-A246 PolarHBondContact O-N 2.83Å; A241-Q248 HydrophobicContact CB-CG 3.89Å
242R96.1Very high95.2Very high192 Ų19240.2 Ų40.273%0.72521%0.21SC*.Hα-helixtrans-62.3-36.3178.8-171.9180-64173.75.8112.8E238 T239 M240E238-R242 WeakPolarHBondContact O-CB 3.41Å; E238-R242 PolarHBondContact O-N 3.21Å; E238-R242 IonicContact OE1-NH2 3.18Å; E238-R242 PolarHBondContact OE1-NH2 3.44Å; T239-R242 PolarHBondContact O-N 3.41Å; M240-R242 VanDerWaalsContact C-N 3.32Å; M240-R242 PolarHBondContact O-N 2.87Å
243V95.5Very high95.2Very high69 Ų6940.3 Ų40.342%0.41821%0.211SC..Hα-helixtrans-73.2-37.9179.9172.30000111.2V227 W232 T239 M240 A241V227-V243 HydrophobicContact CG1-CG2 3.53Å; W232-V243 HydrophobicContact CH2-CG2 4.49Å; T239-V243 VanDerWaalsContact O-CG2 3.3Å; T239-V243 WeakPolarHBondContact O-CG2 3.28Å; T239-V243 PolarHBondContact O-N 2.95Å; M240-V243 PolarHBondContact O-N 3.24Å; A241-V243 VanDerWaalsContact C-N 3.29Å; A241-V243 PolarHBondContact O-N 3.25Å
244T95.6Very high95.1Very high13 Ų1339.8 Ų39.88%0.0821%0.209CC..Hα-helixtrans-100.3-11-171.562.10000114.9Q135 M137 P170 L181 M240 A241 A246Q135-T244 HydrophobicContact CB-CG2 4.34Å; M137-T244 HydrophobicContact CE-CG2 3.55Å; M137-T244 HydrophobicContact SD-CG2 4.01Å; P170-T244 HydrophobicContact CG-CG2 3.63Å; L181-T244 HydrophobicContact CD2-CG2 4.48Å; M240-T244 PolarHBondContact O-N 3.49Å; M240-T244 VanDerWaalsContact O-N 3.1Å; M240-T244 PolarHBondContact O-OG1 3.44Å; M240-T244 VanDerWaalsContact O-OG1 3.08Å; A241-T244 PolarHBondContact O-N 3.38Å; T244-A246 PolarHBondContact O-N 3.13Å; T244-A246 VanDerWaalsContact OG1-CB 3.27Å; T244-A246 WeakPolarHBondContact OG1-CB 3.29Å; T244-A246 PolarHBondContact OG1-N 3.14Å
245G95.2Very high94.9Very high67 Ų6744.1 Ų44.169%0.69123%0.233SC*.THydrogen-bonded Turntrans70.112.5-169.800000113.6A241A241-G245 WeakPolarHBondContact O-CA 3.49Å; A241-G245 PolarHBondContact O-N 3.29Å
246A95.2Very high94.7Very high9 Ų948.1 Ų48.17%0.07427%0.268CS..  trans-79.2158.9176.100000111.5T179 L181 A241 T244T179-A246 HydrophobicContact CG2-CB 3.88Å; T179-A246 CarbonylContact O-C 3.56Å; T179-A246 WeakPolarHBondContact O-CA 3.32Å; T179-A246 WeakPolarHBondContact O-CB 3.45Å; L181-A246 HydrophobicContact CD2-CB 3.91Å; L181-A246 HydrophobicContact CG-CB 4.05Å; A241-A246 WeakPolarHBondContact CA-O 3.36Å; A241-A246 WeakPolarHBondContact CB-O 3.27Å; A241-A246 PolarHBondContact O-N 2.83Å; T244-A246 PolarHBondContact O-N 3.13Å; T244-A246 VanDerWaalsContact OG1-CB 3.27Å; T244-A246 WeakPolarHBondContact OG1-CB 3.29Å; T244-A246 PolarHBondContact OG1-N 3.14Å
247E93.9Very high94.5Very high105 Ų10548.3 Ų48.349%0.49127%0.27SS..  trans-68.2157.9166.9-69.4-61157.900111.1I178 T179 I249I178-E247 HydrophobicContact CB-CG 4.22Å; I178-E247 HydrophobicContact CD1-CG 4.32Å; T179-E247 PolarHBondContact O-N 3.35Å; E247-I249 HydrophobicContact CB-CD1 4.27Å; E247-I249 HydrophobicContact CB-CG1 3.99Å; E247-I249 PolarHBondContact O-N 3.23Å
248Q93.8Very high94.4Very high113 Ų11350 Ų5053%0.52828%0.281SS..SBendtrans-74.439.3178.1-60.6-175.516.300112.9L237 A241L237-Q248 HydrophobicContact CB-CB 4.41Å; A241-Q248 HydrophobicContact CB-CG 3.89Å
249I93.9Very high94.2Very high13 Ų1346.6 Ų46.67%0.06727%0.266CS..  trans-107.9128.4179.8-54.8-173000107.6L110 L117 I178 I180 L181 E247L110-I249 HydrophobicContact CD1-CG2 3.98Å; L110-I249 HydrophobicContact CD2-CD1 4.47Å; L110-I249 HydrophobicContact CD2-CG2 4.03Å; L117-I249 HydrophobicContact CD1-CG2 4.37Å; L117-I249 HydrophobicContact CD2-CB 4.08Å; L117-I249 HydrophobicContact CD2-CD1 4.35Å; L117-I249 HydrophobicContact CD2-CG1 3.72Å; L117-I249 HydrophobicContact CD2-CG2 3.9Å; I178-I249 HydrophobicContact CD1-CD1 3.94Å; I180-I249 HydrophobicContact CB-CB 4.06Å; I180-I249 HydrophobicContact CB-CG2 4.22Å; I180-I249 HydrophobicContact CG2-CB 3.77Å; I180-I249 HydrophobicContact CG2-CD1 4.14Å; I180-I249 HydrophobicContact CG2-CG1 4.39Å; I180-I249 HydrophobicContact CG2-CG2 3.96Å; L181-I249 WeakPolarHBondContact CB-O 3.25Å; L181-I249 PolarHBondContact N-O 3.48Å; E247-I249 HydrophobicContact CB-CD1 4.27Å; E247-I249 HydrophobicContact CB-CG1 3.99Å; E247-I249 PolarHBondContact O-N 3.23Å
250F95.2Very high94Very high2 Ų249.8 Ų49.81%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-132.8132.9-178.8-178.2-78.7000112.9V168 L181 N183 R213 R235 L237 D252V168-F250 HydrophobicContact CG1-CD2 4.41Å; V168-F250 HydrophobicContact CG1-CE2 3.87Å; V168-F250 HydrophobicContact CG2-CE2 3.92Å; V168-F250 HydrophobicContact CG2-CZ 4.4Å; L181-F250 HydrophobicContact CB-CB 4.41Å; L181-F250 HydrophobicContact CB-CD2 3.76Å; L181-F250 HydrophobicContact CB-CG 4.49Å; L181-F250 VanDerWaalsContact O-CA 3.24Å; L181-F250 WeakPolarHBondContact O-CA 3.3Å; N183-F250 HydrophobicContact CB-CE1 4.01Å; N183-F250 HydrophobicContact CB-CE2 4.01Å; N183-F250 HydrophobicContact CB-CZ 3.34Å; R213-F250 HydrophobicContact CB-CD1 4.01Å; R213-F250 HydrophobicContact CB-CE1 4.32Å; R213-F250 PolarHBondContact N-O 2.96Å; R235-F250 VanDerWaalsContact CD-CE2 3.43Å; R235-F250 HydrophobicContact CG-CD2 4.31Å; R235-F250 HydrophobicContact CG-CE2 4.21Å; R235-F250 HydrophobicContact CG-CZ 4.37Å; L237-F250 HydrophobicContact CD1-CB 3.81Å; L237-F250 HydrophobicContact CD2-CB 3.41Å; L237-F250 VanDerWaalsContact CD2-CB 3.41Å; L237-F250 HydrophobicContact CD2-CD2 3.7Å; L237-F250 HydrophobicContact CD2-CG 3.77Å; L237-F250 HydrophobicContact CG-CB 4.27Å; F250-D252 VanDerWaalsContact CE1-OD1 3.26Å; F250-D252 WeakPolarHBondContact CE1-OD1 3.43Å
251I95.5Very high93.6Very high0 Ų051.7 Ų51.70%031%0.307CS..EExtended strand (participates in β ladder)trans-127.2129-179-57.8174.9000109.8L110 V125 V127 I180 L181 V182 N183 G210 V211L110-I251 HydrophobicContact CD1-CD1 4.37Å; L110-I251 HydrophobicContact CD2-CD1 4.44Å; V125-I251 HydrophobicContact CG2-CD1 3.54Å; V125-I251 HydrophobicContact CG2-CG1 4.02Å; V125-I251 HydrophobicContact CG2-CG2 4.29Å; V127-I251 HydrophobicContact CG1-CD1 4.34Å; V127-I251 HydrophobicContact CG2-CD1 4.41Å; I180-I251 HydrophobicContact CD1-CD1 3.48Å; I180-I251 VanDerWaalsContact CD1-CD1 3.48Å; I180-I251 HydrophobicContact CD1-CG1 4.26Å; L181-I251 PolarHBondContact O-N 3.02Å; V182-I251 CarbonylContact C-O 3.54Å; V182-I251 WeakPolarHBondContact CA-O 3.32Å; N183-I251 PolarHBondContact N-O 3.34Å; G210-I251 VanDerWaalsContact C-CG2 3.45Å; V211-I251 WeakPolarHBondContact O-CA 3.27Å
252D95.6Very high93.4Very high10 Ų1052 Ų525%0.05331%0.312CS..EExtended strand (participates in β ladder)trans-83.6115.6165.3-81.4-28.7000108.9N183 G210 V211 R213 F250 D254 T268N183-D252 WeakPolarHBondContact CB-OD1 3.47Å; N183-D252 PolarHBondContact ND2-OD1 3.32Å; G210-D252 CarbonylContact C-O 3.54Å; G210-D252 WeakPolarHBondContact CA-O 3.4Å; V211-D252 PolarHBondContact N-O 2.9Å; V211-D252 PolarHBondContact O-N 3.49Å; R213-D252 HydrophobicContact CG-CB 4.47Å; R213-D252 WeakPolarHBondContact CG-OD2 3.24Å; R213-D252 IonicContact NH1-OD2 3.94Å; F250-D252 VanDerWaalsContact CE1-OD1 3.26Å; F250-D252 WeakPolarHBondContact CE1-OD1 3.43Å; D252-D254 PolarHBondContact O-N 2.9Å; D252-T268 VanDerWaalsContact CB-OG1 3.24Å; D252-T268 WeakPolarHBondContact CB-OG1 3.46Å; D252-T268 PolarHBondContact OD2-OG1 2.88Å
253A95.5Very high93.3Very high3 Ų343 Ų433%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-58.2137.5179.200000111.2V182 N183 L208 G266V182-A253 HydrophobicContact CG1-CB 4.38Å; N183-A253 WeakPolarHBondContact O-CB 3.4Å; N183-A253 PolarHBondContact O-N 3.44Å; L208-A253 HydrophobicContact CD1-CB 3.78Å; A253-G266 PolarHBondContact O-N 2.99Å
254D93.1Very high93.2Very high32 Ų3243.5 Ų43.517%0.17128%0.277CS..  trans-70.2159174.8-165.312.8000110.7R124 V209 D252 A256 S257R124-D254 IonicContact CZ-OD2 3.62Å; R124-D254 IonicContact NH1-OD2 2.8Å; R124-D254 PolarHBondContact NH1-OD2 2.9Å; R124-D254 IonicContact NH2-OD2 3.72Å; R124-D254 PolarHBondContact NH2-OD2 3.11Å; V209-D254 HydrophobicContact CG1-CB 4.44Å; V209-D254 WeakPolarHBondContact O-CB 3.12Å; V209-D254 PolarHBondContact O-N 3.32Å; D252-D254 PolarHBondContact O-N 2.9Å; D254-A256 PolarHBondContact O-N 3.42Å; D254-S257 PolarHBondContact O-N 2.93Å
255L91.1Very high93.1Very high108 Ų10842.9 Ų42.957%0.56527%0.274SS*.G310 helixtrans-58.9-37.2177.9-176.763.5000111.3S257 T258 I264L255-S257 PolarHBondContact O-N 3.44Å; L255-T258 WeakPolarHBondContact O-CB 3.44Å; L255-T258 PolarHBondContact O-N 3.13Å; L255-T258 VanDerWaalsContact O-N 3.1Å; L255-T258 PolarHBondContact O-OG1 3.33Å; L255-I264 HydrophobicContact CD1-CG2 4.1Å
256A90.4Very high92.8Very high91 Ų9140.9 Ų40.975%0.75225%0.253SS*.G310 helixtrans-65.3-24177.900000113.8D254 T258D254-A256 PolarHBondContact O-N 3.42Å; A256-T258 VanDerWaalsContact C-N 3.27Å
257S91.6Very high92.5Very high26 Ų2641.2 Ų41.218%0.18225%0.253CS..G310 helixtrans-89.911.8175.5-65.60000112.8V209 D254 L255 I259V209-S257 PolarHBondContact N-OG 2.91Å; V209-S257 PolarHBondContact O-OG 3.46Å; D254-S257 PolarHBondContact O-N 2.93Å; L255-S257 PolarHBondContact O-N 3.44Å; S257-I259 PolarHBondContact O-N 3.41Å
258T92.6Very high92.1Very high43 Ų4337.1 Ų37.126%0.26424%0.235SC..PPolyproline II helixtrans-68.1124175.2-61.50000110.6L255 A256 G265L255-T258 WeakPolarHBondContact O-CB 3.44Å; L255-T258 PolarHBondContact O-N 3.13Å; L255-T258 VanDerWaalsContact O-N 3.1Å; L255-T258 PolarHBondContact O-OG1 3.33Å; A256-T258 VanDerWaalsContact C-N 3.27Å; T258-G265 PolarHBondContact OG1-N 3.14Å
259I91.6Very high91.2Very high31 Ų3139.1 Ų39.116%0.15924%0.238CC..PPolyproline II helixtrans-83.1125.7174.4-62156.3000109.1Y131 V202 S257 G261 G262Y131-I259 HydrophobicContact CE2-CD1 4.01Å; V202-I259 HydrophobicContact CG1-CD1 4.43Å; V202-I259 HydrophobicContact CG1-CG2 3.82Å; V202-I259 HydrophobicContact CG2-CD1 3.44Å; V202-I259 VanDerWaalsContact CG2-CD1 3.44Å; V202-I259 HydrophobicContact CG2-CG1 4.4Å; S257-I259 PolarHBondContact O-N 3.41Å; I259-G261 PolarHBondContact O-N 3.38Å; I259-G262 PolarHBondContact O-N 3.07Å
260P90.3Very high90.1Very high110 Ų11039.6 Ų39.671%0.71424%0.242SC*.THydrogen-bonded Turntrans-54.5126.5178.8-27.935.8000113.1G262P260-G262 VanDerWaalsContact C-N 3.27Å; P260-G262 PolarHBondContact O-N 3.49Å
261G88.6Confident88.6Confident41 Ų4141.6 Ų41.642%0.42325%0.254SS..THydrogen-bonded Turntrans83.2-4-177.400000115I259I259-G261 PolarHBondContact O-N 3.38Å
262G91.3Very high87.1Confident15 Ų1545.3 Ų45.316%0.15527%0.273CS..SBendtrans-97.1-166172.600000114.5I259 P260I259-G262 PolarHBondContact O-N 3.07Å; P260-G262 VanDerWaalsContact C-N 3.27Å; P260-G262 PolarHBondContact O-N 3.49Å
263P94.4Very high85.7Confident2 Ų251 Ų511%0.01329%0.294CS..  trans-59.1143.5170.9-21.133.7000112.3V167 R184 Y186 V187V167-P263 HydrophobicContact CB-CB 4.34Å; V167-P263 HydrophobicContact CB-CG 3.88Å; V167-P263 HydrophobicContact CG1-CG 4.38Å; V167-P263 HydrophobicContact CG2-CB 4.34Å; V167-P263 HydrophobicContact CG2-CG 3.88Å; R184-P263 HydrophobicContact CB-CB 3.96Å; R184-P263 HydrophobicContact CB-CG 4.02Å; Y186-P263 WeakPolarHBondContact O-CA 3.42Å; V187-P263 HydrophobicContact CG1-CB 3.75Å; V187-P263 HydrophobicContact CG1-CG 3.77Å
264I93.8Very high84.5Confident79 Ų7954 Ų5441%0.40531%0.309SS..BIsolated β-bridgetrans-89.4112.8-177.3-56.4171.6000109.4G185 Y186 L255 Q267G185-I264 CarbonylContact C-O 3.46Å; G185-I264 WeakPolarHBondContact CA-O 3.36Å; Y186-I264 PolarHBondContact N-O 2.92Å; Y186-I264 PolarHBondContact O-N 2.95Å; L255-I264 HydrophobicContact CD1-CG2 4.1Å; I264-Q267 VanDerWaalsContact O-CG 3.26Å; I264-Q267 WeakPolarHBondContact O-CG 3.25Å; I264-Q267 PolarHBondContact O-NE2 3.18Å; I264-Q267 VanDerWaalsContact O-NE2 3.15Å
265G92.7Very high83.7Confident1 Ų154.2 Ų54.21%0.0131%0.31CS..  trans-65.5-173.5177.500000113.7R184 T258 Q267R184-G265 PolarHBondContact O-N 3.45Å; T258-G265 PolarHBondContact OG1-N 3.14Å; G265-Q267 VanDerWaalsContact C-N 3.35Å; G265-Q267 PolarHBondContact O-N 2.94Å; G265-Q267 PolarHBondContact O-NE2 3.47Å
266G89.9Confident83.2Confident25 Ų2550.3 Ų50.326%0.25829%0.288SS..  trans72.125.1178.600000114.2A253 T268A253-G266 PolarHBondContact O-N 2.99Å; G266-T268 PolarHBondContact O-N 3.47Å
267Q87.8Confident82.9Confident16 Ų1650.4 Ų50.48%0.07527%0.274CS..  trans-82.18-175.8-58-56-59.200114.2I264 G265 R269I264-Q267 VanDerWaalsContact O-CG 3.26Å; I264-Q267 WeakPolarHBondContact O-CG 3.25Å; I264-Q267 PolarHBondContact O-NE2 3.18Å; I264-Q267 VanDerWaalsContact O-NE2 3.15Å; G265-Q267 VanDerWaalsContact C-N 3.35Å; G265-Q267 PolarHBondContact O-N 2.94Å; G265-Q267 PolarHBondContact O-NE2 3.47Å; Q267-R269 PolarHBondContact O-N 3.02Å; Q267-R269 VanDerWaalsContact O-N 3.15Å
268T84.7Confident82.6Confident19 Ų1954.7 Ų54.712%0.11729%0.292CS..  trans-71.9103.9173.5-55.80000109.8Y122 V211 D252 G266 V270Y122-T268 HydrophobicContact CD1-CG2 4.27Å; Y122-T268 HydrophobicContact CE1-CG2 4.34Å; V211-T268 HydrophobicContact CG1-CG2 4.41Å; D252-T268 VanDerWaalsContact CB-OG1 3.24Å; D252-T268 WeakPolarHBondContact CB-OG1 3.46Å; D252-T268 PolarHBondContact OD2-OG1 2.88Å; G266-T268 PolarHBondContact O-N 3.47Å; T268-V270 HydrophobicContact CG2-CG2 4.07Å; T268-V270 PolarHBondContact O-N 3.46Å; T268-V270 VanDerWaalsContact O-N 3.12Å
269R76.5Confident82.3Confident155 Ų15558.1 Ų58.159%0.58530%0.3SS*.  trans-74.6102.8178.3-163.8-176.9-158.6-173.711111.7V145 E150 Q267V145-R269 HydrophobicContact CG2-CB 4.25Å; E150-R269 IonicContact OE1-CZ 3.94Å; E150-R269 IonicContact OE1-NE 3.65Å; E150-R269 PolarHBondContact OE1-NE 3.47Å; E150-R269 IonicContact OE1-NH2 3.7Å; E150-R269 PolarHBondContact OE1-NH2 3.14Å; E150-R269 IonicContact OE2-NE 3.98Å; Q267-R269 PolarHBondContact O-N 3.02Å; Q267-R269 VanDerWaalsContact O-N 3.15Å
270V70.2Confident82.3Confident23 Ų2357.6 Ų57.614%0.13930%0.298CS..  trans-98.2-7.2174.8-171.80000112.1L99 R100 T103 T268L99-V270 HydrophobicContact CB-CG1 3.69Å; R100-V270 HydrophobicContact CG-CG1 4.01Å; T103-V270 HydrophobicContact CG2-CG2 4.23Å; T268-V270 HydrophobicContact CG2-CG2 4.07Å; T268-V270 PolarHBondContact O-N 3.46Å; T268-V270 VanDerWaalsContact O-N 3.12Å
271T63.8Low82.4Confident43 Ų4358.2 Ų58.226%0.26429%0.293SS..  trans-82.5138.7178.9610000110.5E150E150-T271 PolarHBondContact OE2-OG1 3.48Å
272L63.8Low82.6Confident79 Ų7959.5 Ų59.541%0.41429%0.292SS..  trans-123.2126.7170.3-67.6153.2000108.9K92 I96 N274K92-L272 HydrophobicContact CD-CB 4.45Å; K92-L272 HydrophobicContact CG-CD1 4.16Å; I96-L272 HydrophobicContact CD1-CB 4.09Å; I96-L272 HydrophobicContact CD1-CD1 4.18Å; I96-L272 HydrophobicContact CG1-CB 4.47Å; I96-L272 HydrophobicContact CG1-CD1 3.75Å; I96-L272 HydrophobicContact CG1-CG 4.47Å; L272-N274 PolarHBondContact O-N 3.35Å
273R66.2Low82.8Confident130 Ų13062 Ų6249%0.49130%0.297SS..  trans-51.3126.8178.1-179.7165.8163.5172.1-9.7111.9K92 G155 Q156 E275K92-R273 PolarHBondContact NZ-O 3.25Å; G155-R273 PolarHBondContact O-NH2 2.98Å; Q156-R273 PolarHBondContact O-NH1 3.1Å; R273-E275 HydrophobicContact CG-CG 4.18Å; R273-E275 WeakPolarHBondContact CG-OE1 3.34Å; R273-E275 IonicContact CZ-OE1 3.46Å; R273-E275 IonicContact NE-OE1 3.25Å; R273-E275 PolarHBondContact NE-OE1 3.42Å; R273-E275 IonicContact NH2-OE1 3.8Å
274N69.5Low82.9Confident64 Ų6465.7 Ų65.734%0.34231%0.311SS..  trans-119.780.5-170.5-171.210000112.8L272 H276L272-N274 PolarHBondContact O-N 3.35Å; N274-H276 VanDerWaalsContact C-N 3.3Å; N274-H276 PolarHBondContact OD1-CD2 2.96Å; N274-H276 PolarHBondContact OD1-N 3.48Å
275E76.8Confident82.9Confident38 Ų3863.8 Ų63.818%0.17831%0.312CS..  trans-87.61.3175-52.3-52.6152.800113.3G155 R273 M277 Q278 Y279G155-E275 WeakPolarHBondContact CA-OE1 3.26Å; G155-E275 PolarHBondContact N-OE1 3.37Å; R273-E275 HydrophobicContact CG-CG 4.18Å; R273-E275 WeakPolarHBondContact CG-OE1 3.34Å; R273-E275 IonicContact CZ-OE1 3.46Å; R273-E275 IonicContact NE-OE1 3.25Å; R273-E275 PolarHBondContact NE-OE1 3.42Å; R273-E275 IonicContact NH2-OE1 3.8Å; E275-M277 PolarHBondContact O-N 2.87Å; E275-M277 VanDerWaalsContact O-N 3.14Å; E275-Q278 PolarHBondContact O-N 3.13Å; E275-Q278 VanDerWaalsContact O-N 3.13Å; E275-Y279 HydrophobicContact CB-CD2 3.88Å; E275-Y279 HydrophobicContact CB-CE2 3.61Å; E275-Y279 HydrophobicContact CG-CE2 4.49Å; E275-Y279 VanDerWaalsContact O-CD2 3.25Å; E275-Y279 WeakPolarHBondContact O-CD2 3.21Å; E275-Y279 PolarHBondContact O-N 3.29Å
276H80.9Confident83Confident25 Ų2567.5 Ų67.512%0.11633%0.331CS..Hα-helixtrans-61.9-31.2-167.8-69.7-73.8000112.3Q85 R89 N274 Y279 I280Q85-H276 PolarHBondContact OE1-ND1 3.27Å; R89-H276 HydrophobicContact CB-CB 3.68Å; R89-H276 HydrophobicContact CG-CB 3.85Å; N274-H276 VanDerWaalsContact C-N 3.3Å; N274-H276 PolarHBondContact OD1-CD2 2.96Å; N274-H276 PolarHBondContact OD1-N 3.48Å; H276-Y279 PolarHBondContact O-N 3.34Å; H276-I280 WeakPolarHBondContact O-CB 3.28Å; H276-I280 VanDerWaalsContact O-CD1 3.29Å; H276-I280 WeakPolarHBondContact O-CD1 3.35Å; H276-I280 WeakPolarHBondContact O-CG1 3.12Å; H276-I280 PolarHBondContact O-N 3.29Å
277M83.6Confident83.3Confident93 Ų9367.1 Ų67.146%0.45832%0.324SS..Hα-helixtrans-63.7-44.1177.8-168.962.977.300112.2E275 Y279 I280 M281E275-M277 PolarHBondContact O-N 2.87Å; E275-M277 VanDerWaalsContact O-N 3.14Å; M277-Y279 PolarHBondContact O-N 3.01Å; M277-I280 PolarHBondContact O-N 2.69Å; M277-M281 HydrophobicContact CG-CE 4.43Å; M277-M281 WeakPolarHBondContact O-CG 3.18Å; M277-M281 PolarHBondContact O-N 2.67Å
278Q85.9Confident83.7Confident117 Ų11769.3 Ų69.355%0.54735%0.345SS..Hα-helixtrans-61-47.2176.7-175.8-179.9-0.600110.5E275 I280 M281 T282E275-Q278 PolarHBondContact O-N 3.13Å; E275-Q278 VanDerWaalsContact O-N 3.13Å; Q278-I280 PolarHBondContact O-N 2.92Å; Q278-M281 PolarHBondContact O-N 2.94Å; Q278-T282 PolarHBondContact O-N 3.2Å; Q278-T282 PolarHBondContact O-OG1 2.92Å; Q278-T282 VanDerWaalsContact O-OG1 3.07Å
279Y86.9Confident84.2Confident114 Ų11470.8 Ų70.845%0.44736%0.359SS..Hα-helixtrans-62.7-40.3177.1-71.4-64.7000112.8E275 H276 M277 M281 T282 W283E275-Y279 HydrophobicContact CB-CD2 3.88Å; E275-Y279 HydrophobicContact CB-CE2 3.61Å; E275-Y279 HydrophobicContact CG-CE2 4.49Å; E275-Y279 VanDerWaalsContact O-CD2 3.25Å; E275-Y279 WeakPolarHBondContact O-CD2 3.21Å; E275-Y279 PolarHBondContact O-N 3.29Å; H276-Y279 PolarHBondContact O-N 3.34Å; M277-Y279 PolarHBondContact O-N 3.01Å; Y279-M281 VanDerWaalsContact C-N 3.31Å; Y279-M281 PolarHBondContact O-N 2.85Å; Y279-T282 PolarHBondContact O-N 3.19Å; Y279-W283 PolarHBondContact O-N 2.93Å
280I91Very high85Confident20 Ų2064.9 Ų64.910%0.10334%0.34CS..Hα-helixtrans-56.6-47.9175.3-72.7160.2000110Q85 V86 H276 M277 Q278 T282 W283 Y284Q85-I280 HydrophobicContact CB-CD1 4.48Å; Q85-I280 HydrophobicContact CB-CG1 3.64Å; V86-I280 HydrophobicContact CB-CD1 4.46Å; V86-I280 HydrophobicContact CG2-CD1 3.81Å; V86-I280 HydrophobicContact CG2-CG1 3.92Å; V86-I280 HydrophobicContact CG2-CG2 4.15Å; H276-I280 WeakPolarHBondContact O-CB 3.28Å; H276-I280 VanDerWaalsContact O-CD1 3.29Å; H276-I280 WeakPolarHBondContact O-CD1 3.35Å; H276-I280 WeakPolarHBondContact O-CG1 3.12Å; H276-I280 PolarHBondContact O-N 3.29Å; M277-I280 PolarHBondContact O-N 2.69Å; Q278-I280 PolarHBondContact O-N 2.92Å; I280-T282 PolarHBondContact O-N 3.37Å; I280-W283 PolarHBondContact O-N 3.49Å; I280-Y284 HydrophobicContact CG2-CD2 3.63Å; I280-Y284 HydrophobicContact CG2-CE2 3.73Å; I280-Y284 WeakPolarHBondContact O-CD2 3.47Å; I280-Y284 PolarHBondContact O-N 3.13Å
281M91.9Very high86.1Confident124 Ų12466 Ų6661%0.61135%0.349SS*.Hα-helixtrans-62-43.1176.7-69.3-173.3-68.800112M277 Q278 Y279 G285M277-M281 HydrophobicContact CG-CE 4.43Å; M277-M281 WeakPolarHBondContact O-CG 3.18Å; M277-M281 PolarHBondContact O-N 2.67Å; Q278-M281 PolarHBondContact O-N 2.94Å; Y279-M281 VanDerWaalsContact C-N 3.31Å; Y279-M281 PolarHBondContact O-N 2.85Å; M281-G285 WeakPolarHBondContact O-CA 3.42Å; M281-G285 PolarHBondContact O-N 2.9Å
282T93.3Very high87.6Confident68 Ų6871 Ų7142%0.41736%0.364SS..Hα-helixtrans-61.2-48.9176.9-56.10000112Q278 Y279 I280 G285 L286Q278-T282 PolarHBondContact O-N 3.2Å; Q278-T282 PolarHBondContact O-OG1 2.92Å; Q278-T282 VanDerWaalsContact O-OG1 3.07Å; Y279-T282 PolarHBondContact O-N 3.19Å; I280-T282 PolarHBondContact O-N 3.37Å; T282-G285 PolarHBondContact O-N 3.41Å; T282-L286 HydrophobicContact CG2-CD1 4.13Å; T282-L286 WeakPolarHBondContact O-CB 3.47Å; T282-L286 WeakPolarHBondContact O-CG 3.35Å; T282-L286 PolarHBondContact O-N 2.85Å
283W95.4Very high88.9Confident67 Ų6773.5 Ų73.525%0.25438%0.375SS..Hα-helixtrans-68.2-43-176.5-70.7117.8000112.6T78 L81 Y279 I280 L286 C287T78-W283 HydrophobicContact CG2-CE3 3.86Å; T78-W283 HydrophobicContact CG2-CZ3 4Å; L81-W283 HydrophobicContact CB-CD2 3.77Å; L81-W283 HydrophobicContact CB-CE3 4.01Å; L81-W283 HydrophobicContact CB-CG 4.06Å; L81-W283 HydrophobicContact CD1-CD2 4.19Å; L81-W283 HydrophobicContact CD1-CE3 3.8Å; L81-W283 HydrophobicContact CD1-CH2 3.52Å; L81-W283 HydrophobicContact CD1-CZ2 3.92Å; L81-W283 HydrophobicContact CD1-CZ3 3.45Å; L81-W283 VanDerWaalsContact CD1-CZ3 3.45Å; Y279-W283 PolarHBondContact O-N 2.93Å; I280-W283 PolarHBondContact O-N 3.49Å; W283-L286 HydrophobicContact CE3-CD1 4.22Å; W283-L286 HydrophobicContact CZ3-CD1 4.27Å; W283-L286 PolarHBondContact O-N 2.89Å; W283-C287 WeakPolarHBondContact O-CB 3.3Å; W283-C287 PolarHBondContact O-N 3.04Å
284Y95.8Very high90.1Very high79 Ų7970.1 Ų70.131%0.3136%0.362SS..Hα-helixtrans-71.8-32.5175.5-71.8-47000112.8F79 T83 V86 I280 C287 A288F79-Y284 HydrophobicContact CD2-CD1 4.2Å; F79-Y284 AromaticContact CD2-CE1 3.77Å; F79-Y284 HydrophobicContact CD2-CE1 3.77Å; F79-Y284 AromaticContact CE2-CE1 3.9Å; F79-Y284 HydrophobicContact CE2-CE1 3.9Å; T83-Y284 WeakPolarHBondContact CA-OH 3.09Å; T83-Y284 PolarHBondContact N-OH 3.42Å; T83-Y284 PolarHBondContact OG1-OH 2.88Å; V86-Y284 HydrophobicContact CG2-CE2 4.16Å; I280-Y284 HydrophobicContact CG2-CD2 3.63Å; I280-Y284 HydrophobicContact CG2-CE2 3.73Å; I280-Y284 WeakPolarHBondContact O-CD2 3.47Å; I280-Y284 PolarHBondContact O-N 3.13Å; Y284-C287 WeakPolarHBondContact O-CB 3.44Å; Y284-C287 PolarHBondContact O-N 3.17Å; Y284-A288 WeakPolarHBondContact O-CB 3.44Å; Y284-A288 PolarHBondContact O-N 3.49Å
285G95.1Very high91.1Very high40 Ų4072.9 Ų72.941%0.41237%0.369SS..Hα-helixtrans-62.6-46.4171.600000112.3M281 T282 A288 A289M281-G285 WeakPolarHBondContact O-CA 3.42Å; M281-G285 PolarHBondContact O-N 2.9Å; T282-G285 PolarHBondContact O-N 3.41Å; G285-A288 PolarHBondContact O-N 2.99Å; G285-A289 WeakPolarHBondContact O-CB 3.49Å; G285-A289 PolarHBondContact O-N 3.04Å
286L94.6Very high91.7Very high79 Ų7972.6 Ų72.641%0.41437%0.373SS..Hα-helixtrans-62.2-42.1173.7-73.6173.3000111.7T78 T282 W283 A289 T290T78-L286 HydrophobicContact CG2-CB 4.17Å; T282-L286 HydrophobicContact CG2-CD1 4.13Å; T282-L286 WeakPolarHBondContact O-CB 3.47Å; T282-L286 WeakPolarHBondContact O-CG 3.35Å; T282-L286 PolarHBondContact O-N 2.85Å; W283-L286 HydrophobicContact CE3-CD1 4.22Å; W283-L286 HydrophobicContact CZ3-CD1 4.27Å; W283-L286 PolarHBondContact O-N 2.89Å; L286-A289 PolarHBondContact O-N 3.02Å; L286-T290 WeakPolarHBondContact O-CB 3.23Å; L286-T290 VanDerWaalsContact O-CG2 3.27Å; L286-T290 WeakPolarHBondContact O-CG2 3.3Å; L286-T290 PolarHBondContact O-N 3.5Å; L286-T290 PolarHBondContact O-OG1 2.99Å
287C95.9Very high92Very high16 Ų1676.2 Ų76.211%0.10839%0.388CS..Hα-helixtrans-58.4-48.4175178.40000111.3T78 W283 Y284 T290 S291T78-C287 VanDerWaalsContact OG1-CA 3.3Å; T78-C287 WeakPolarHBondContact OG1-CA 3.49Å; T78-C287 WeakPolarHBondContact OG1-CB 3.44Å; W283-C287 WeakPolarHBondContact O-CB 3.3Å; W283-C287 PolarHBondContact O-N 3.04Å; Y284-C287 WeakPolarHBondContact O-CB 3.44Å; Y284-C287 PolarHBondContact O-N 3.17Å; C287-T290 PolarHBondContact O-OG1 3.48Å; C287-S291 WeakPolarHBondContact O-CB 3.23Å; C287-S291 PolarHBondContact O-N 2.91Å; C287-S291 PolarHBondContact O-OG 2.81Å
288A95.6Very high92.1Very high62 Ų6272.6 Ų72.651%0.51237%0.37SS..Hα-helixtrans-64.3-47.118000000112Y284 G285 S291 Y292Y284-A288 WeakPolarHBondContact O-CB 3.44Å; Y284-A288 PolarHBondContact O-N 3.49Å; G285-A288 PolarHBondContact O-N 2.99Å; A288-S291 PolarHBondContact O-N 2.93Å; A288-Y292 WeakPolarHBondContact O-CB 3.44Å; A288-Y292 PolarHBondContact O-N 3.31Å
289A95Very high92Very high51 Ų5170.3 Ų70.342%0.42136%0.361SS..Hα-helixtrans-62.5-47.4179.700000111.9G285 L286 Y292 M293G285-A289 WeakPolarHBondContact O-CB 3.49Å; G285-A289 PolarHBondContact O-N 3.04Å; L286-A289 PolarHBondContact O-N 3.02Å; A289-Y292 PolarHBondContact O-N 3.26Å; A289-M293 VanDerWaalsContact O-CG 3.3Å; A289-M293 WeakPolarHBondContact O-CG 3.46Å; A289-M293 PolarHBondContact O-N 3.28Å
290T93.9Very high91.5Very high31 Ų3171.1 Ų71.119%0.1937%0.367CS..Hα-helixtrans-70.2-35.6-179.256.30000112.2I74 L286 C287 M293 W294I74-T290 HydrophobicContact CG2-CG2 3.79Å; L286-T290 WeakPolarHBondContact O-CB 3.23Å; L286-T290 VanDerWaalsContact O-CG2 3.27Å; L286-T290 WeakPolarHBondContact O-CG2 3.3Å; L286-T290 PolarHBondContact O-N 3.5Å; L286-T290 PolarHBondContact O-OG1 2.99Å; C287-T290 PolarHBondContact O-OG1 3.48Å; T290-M293 PolarHBondContact O-N 2.88Å; T290-W294 WeakPolarHBondContact O-CB 3.34Å; T290-W294 PolarHBondContact O-N 2.96Å
291S93.8Very high90.1Very high45 Ų4580 Ų8032%0.31540%0.399SS..Hα-helixtrans-63.1-43.4171.3-60.40000111.8P75 C287 A288 W294 Y295P75-S291 WeakPolarHBondContact CB-OG 3.33Å; C287-S291 WeakPolarHBondContact O-CB 3.23Å; C287-S291 PolarHBondContact O-N 2.91Å; C287-S291 PolarHBondContact O-OG 2.81Å; A288-S291 PolarHBondContact O-N 2.93Å; S291-W294 PolarHBondContact O-N 3.4Å; S291-Y295 WeakPolarHBondContact O-CB 3.4Å; S291-Y295 PolarHBondContact O-N 2.94Å
292Y94.1Very high88.4Confident150 Ų15080.2 Ų80.259%0.58840%0.401SS*.Hα-helixtrans-63.5-46.2176.9176.3-98000111.8A288 A289 W294 Y295 A296A288-Y292 WeakPolarHBondContact O-CB 3.44Å; A288-Y292 PolarHBondContact O-N 3.31Å; A289-Y292 PolarHBondContact O-N 3.26Å; Y292-W294 VanDerWaalsContact C-N 3.29Å; Y292-W294 PolarHBondContact O-N 2.91Å; Y292-Y295 PolarHBondContact O-N 3.33Å; Y292-A296 WeakPolarHBondContact O-CB 3.38Å; Y292-A296 PolarHBondContact O-N 2.99Å
293M91.8Very high86.1Confident130 Ų13085.2 Ų85.264%0.6443%0.431SS*.Hα-helixtrans-59.2-42.4176-71.917568.700111.7A289 T290 K297A289-M293 VanDerWaalsContact O-CG 3.3Å; A289-M293 WeakPolarHBondContact O-CG 3.46Å; A289-M293 PolarHBondContact O-N 3.28Å; T290-M293 PolarHBondContact O-N 2.88Å; M293-K297 VanDerWaalsContact O-CB 3.23Å; M293-K297 WeakPolarHBondContact O-CB 3.37Å; M293-K297 PolarHBondContact O-N 3.35Å
294W92.2Very high85.7Confident60 Ų6086.2 Ų86.223%0.22744%0.44CS..Hα-helixtrans-63.3-48176.5-175.594.6000111.6K68 L72 T290 S291 Y292 K297 F298 I299K68-W294 PolarHBondContact O-NE1 3.47Å; L72-W294 HydrophobicContact CD1-CD2 3.69Å; L72-W294 VanDerWaalsContact CD1-CE2 3.41Å; L72-W294 HydrophobicContact CD1-CE3 3.99Å; L72-W294 HydrophobicContact CD1-CG 4.29Å; L72-W294 HydrophobicContact CD1-CH2 3.88Å; L72-W294 HydrophobicContact CD1-CZ2 3.54Å; L72-W294 HydrophobicContact CD1-CZ3 4.08Å; T290-W294 WeakPolarHBondContact O-CB 3.34Å; T290-W294 PolarHBondContact O-N 2.96Å; S291-W294 PolarHBondContact O-N 3.4Å; Y292-W294 VanDerWaalsContact C-N 3.29Å; Y292-W294 PolarHBondContact O-N 2.91Å; W294-K297 PolarHBondContact O-N 3.44Å; W294-F298 AromaticContact CD1-CD2 3.63Å; W294-F298 AromaticContact CD1-CE2 3.77Å; W294-F298 HydrophobicContact CD2-CD2 4.22Å; W294-F298 AromaticContact CE2-CD2 3.95Å; W294-F298 AromaticContact CG-CD2 4Å; W294-F298 HydrophobicContact CG-CD2 4Å; W294-F298 HydrophobicContact CG-CE2 4.49Å; W294-F298 AromaticContact NE1-CD2 3.59Å; W294-F298 AromaticContact NE1-CE2 3.86Å; W294-F298 WeakPolarHBondContact O-CD2 3.33Å; W294-F298 PolarHBondContact O-N 2.85Å; W294-I299 HydrophobicContact CH2-CD1 4.31Å; W294-I299 HydrophobicContact CZ3-CD1 3.85Å; W294-I299 HydrophobicContact CZ3-CG1 4.18Å
295Y90.4Very high85.1Confident122 Ų12286.5 Ų86.548%0.47845%0.447SS..Hα-helixtrans-59.3-48176.7173.9-94.4000112S291 Y292 K297 I299 K300S291-Y295 WeakPolarHBondContact O-CB 3.4Å; S291-Y295 PolarHBondContact O-N 2.94Å; Y292-Y295 PolarHBondContact O-N 3.33Å; Y295-K297 VanDerWaalsContact C-N 3.34Å; Y295-K297 PolarHBondContact O-N 3.33Å; Y295-I299 HydrophobicContact CD2-CB 3.8Å; Y295-I299 HydrophobicContact CD2-CD1 3.99Å; Y295-I299 HydrophobicContact CD2-CG1 4.23Å; Y295-I299 HydrophobicContact CD2-CG2 4.04Å; Y295-I299 HydrophobicContact CE2-CB 3.87Å; Y295-I299 HydrophobicContact CE2-CD1 4.32Å; Y295-I299 HydrophobicContact CE2-CG2 3.57Å; Y295-I299 HydrophobicContact CG-CB 4.45Å; Y295-I299 WeakPolarHBondContact O-CA 2.95Å; Y295-I299 WeakPolarHBondContact O-CB 3.24Å; Y295-I299 PolarHBondContact O-N 3.02Å; Y295-K300 HydrophobicContact CE1-CB 4.49Å; Y295-K300 PolarHBondContact O-N 2.83Å
296A88.9Confident84.6Confident31 Ų3189.1 Ų89.126%0.25645%0.449SS..Hα-helixtrans-63.7-38.9179.600000112.2Y292Y292-A296 WeakPolarHBondContact O-CB 3.38Å; Y292-A296 PolarHBondContact O-N 2.99Å
297K87Confident84Confident101 Ų10189.7 Ų89.744%0.43945%0.451SS..Hα-helixtrans-72.6-40.7-178.7-174.5177.6178.9-176.70112.7M293 W294 Y295M293-K297 VanDerWaalsContact O-CB 3.23Å; M293-K297 WeakPolarHBondContact O-CB 3.37Å; M293-K297 PolarHBondContact O-N 3.35Å; W294-K297 PolarHBondContact O-N 3.44Å; Y295-K297 VanDerWaalsContact C-N 3.34Å; Y295-K297 PolarHBondContact O-N 3.33Å
298F85.8Confident83.2Confident18 Ų1894.3 Ų94.38%0.07947%0.472CS..Hα-helixtrans-113-22.1-167.3-63.7-61.3000115.2K68 L71 W294 I302K68-F298 HydrophobicContact CB-CE1 4.47Å; K68-F298 HydrophobicContact CB-CE2 4.41Å; K68-F298 HydrophobicContact CB-CZ 4.32Å; K68-F298 HydrophobicContact CD-CD1 3.93Å; K68-F298 HydrophobicContact CD-CE1 4.21Å; K68-F298 HydrophobicContact CD-CG 4.32Å; K68-F298 HydrophobicContact CG-CB 4.33Å; K68-F298 HydrophobicContact CG-CD1 3.33Å; K68-F298 HydrophobicContact CG-CD2 3.9Å; K68-F298 HydrophobicContact CG-CE1 3.31Å; K68-F298 HydrophobicContact CG-CE2 3.89Å; K68-F298 HydrophobicContact CG-CG 3.61Å; K68-F298 HydrophobicContact CG-CZ 3.58Å; L71-F298 HydrophobicContact CB-CE2 4.49Å; L71-F298 HydrophobicContact CD1-CE2 3.82Å; L71-F298 HydrophobicContact CD1-CZ 3.94Å; W294-F298 AromaticContact CD1-CD2 3.63Å; W294-F298 AromaticContact CD1-CE2 3.77Å; W294-F298 HydrophobicContact CD2-CD2 4.22Å; W294-F298 AromaticContact CE2-CD2 3.95Å; W294-F298 AromaticContact CG-CD2 4Å; W294-F298 HydrophobicContact CG-CD2 4Å; W294-F298 HydrophobicContact CG-CE2 4.49Å; W294-F298 AromaticContact NE1-CD2 3.59Å; W294-F298 AromaticContact NE1-CE2 3.86Å; W294-F298 WeakPolarHBondContact O-CD2 3.33Å; W294-F298 PolarHBondContact O-N 2.85Å; F298-I302 WeakPolarHBondContact O-CD1 3.4Å; F298-I302 VanDerWaalsContact O-CG1 3.24Å; F298-I302 WeakPolarHBondContact O-CG1 3.41Å
299I83.2Confident82.4Confident68 Ų6896.5 Ų96.535%0.34947%0.47SS..THydrogen-bonded Turntrans-106.3-49.3179-60.1-162.9000111W294 Y295 R301 I302 V303W294-I299 HydrophobicContact CH2-CD1 4.31Å; W294-I299 HydrophobicContact CZ3-CD1 3.85Å; W294-I299 HydrophobicContact CZ3-CG1 4.18Å; Y295-I299 HydrophobicContact CD2-CB 3.8Å; Y295-I299 HydrophobicContact CD2-CD1 3.99Å; Y295-I299 HydrophobicContact CD2-CG1 4.23Å; Y295-I299 HydrophobicContact CD2-CG2 4.04Å; Y295-I299 HydrophobicContact CE2-CB 3.87Å; Y295-I299 HydrophobicContact CE2-CD1 4.32Å; Y295-I299 HydrophobicContact CE2-CG2 3.57Å; Y295-I299 HydrophobicContact CG-CB 4.45Å; Y295-I299 WeakPolarHBondContact O-CA 2.95Å; Y295-I299 WeakPolarHBondContact O-CB 3.24Å; Y295-I299 PolarHBondContact O-N 3.02Å; I299-R301 PolarHBondContact O-N 3.14Å; I299-R301 VanDerWaalsContact O-N 3.14Å; I299-I302 PolarHBondContact O-N 3.46Å; I299-V303 PolarHBondContact O-N 2.95Å
300K76.7Confident81.5Confident132 Ų13299.7 Ų99.757%0.57447%0.473SS*.THydrogen-bonded Turntrans-63.9-20.8179.9-167.6178.4177.8-1790113.6Y295 V303Y295-K300 HydrophobicContact CE1-CB 4.49Å; Y295-K300 PolarHBondContact O-N 2.83Å; K300-V303 VanDerWaalsContact O-OXT 3.12Å
301R61.4Low80.6Confident205 Ų205105 Ų10577%0.77450%0.495SS*.THydrogen-bonded Turntrans-83.9-12.1173.4-89.5-175.5170.9-179.3-2.9114.3I299I299-R301 PolarHBondContact O-N 3.14Å; I299-R301 VanDerWaalsContact O-N 3.14Å
302I56.1Low79.5Confident129 Ų129110 Ų11066%0.66251%0.51SS*.THydrogen-bonded Turntrans-92.8-23-179.8-66.1-178.9000111.1F298 I299F298-I302 WeakPolarHBondContact O-CD1 3.4Å; F298-I302 VanDerWaalsContact O-CG1 3.24Å; F298-I302 WeakPolarHBondContact O-CG1 3.41Å; I299-I302 PolarHBondContact O-N 3.46Å
303V46.1Very low78.1Confident174 Ų174106.4 Ų106.4100%1.05550%0.503SS*.  trans-90.90168.9-176.10000109.1I299 K300I299-V303 PolarHBondContact O-N 2.95Å; K300-V303 VanDerWaalsContact O-OXT 3.12Å

Retrieved 303 of 303 residues in 787 ms (Link to these results)