A0A087Y1I2_POEFO Loading...

DNA-binding protein inhibitor ID-4

AlphaFold DB , UniProt , Accession A0A087Y1I2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 132 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.4Low55.4Low248 Ų248166.4 Ų166.4100%1.22285%0.852SS**  0114.80-69.1170.9161.300107.8
2K49.9Very low55Low204 Ų204169.6 Ų169.689%0.88786%0.856SS**PPolyproline II helixtrans-102.1122.4175.7-83.1-179.9152.3-165.90107.8
3A66.9Low54.6Low107 Ų107164.5 Ų164.588%0.88486%0.855SS**PPolyproline II helixtrans-74124174.800000109.3
4I59.4Low53.8Low160 Ų160157.6 Ų157.682%0.82184%0.844SS**PPolyproline II helixtrans-94.9117.2175.1-60.5170.3000106.1
5S56.5Low53.9Low106 Ų106154.3 Ų154.374%0.74185%0.847SS**PPolyproline II helixtrans-74133.7177.9-152.40000110
6P66.1Low53.2Low126 Ų126149.1 Ų149.182%0.81884%0.84SS**PPolyproline II helixtrans-62.5143.9-174.5-25.534.7000115.2
7V51.2Low52.6Low137 Ų137151.9 Ų151.983%0.8384%0.842SS**PPolyproline II helixtrans-90122.2175.9174.20000110.8
8R56.3Low52.5Low223 Ų223149.4 Ų149.484%0.84284%0.837SS**  trans64.1149.5142.5-151.6173.2-165.5-108.43.1122.2
9S47.4Very low51.9Low80 Ų80149.7 Ų149.756%0.55984%0.836SS**  trans99.9138155.5-145.30000111.4
10F47.1Very low51.7Low188 Ų188150.7 Ų150.783%0.82583%0.834SS**  cis-161.2157.845.3-16.4-88.9000109.2
11R56.5Low51.9Low251 Ų251148.5 Ų148.595%0.94783%0.828SS**  trans-55.1136.3-177.7-65.6-170.6-73.6-108.22.2113.7
12K50.4Low51.6Low205 Ų205143 Ų14389%0.89180%0.803SS**  trans-119.7105.7152.4-173.2164.6178.3173.20108.3
13A50.2Low51.8Low103 Ų103136.9 Ų136.985%0.85180%0.799SS**  trans-69.8125.2166.900000108.3
14G43.2Very low50.9Low68 Ų68136.3 Ų136.370%0.70178%0.78SS**  trans-149.9109.517300000107.4G16G14-G16 PolarHBondContact O-N 3.2Å
15A54.7Low50.7Low108 Ų108134.6 Ų134.689%0.89378%0.782SS**  trans-44.1118-174.500000113.4
16G42.8Very low50.6Low71 Ų71139.6 Ų139.673%0.73278%0.784SS**  trans-135.2125163.700000106.7G14G14-G16 PolarHBondContact O-N 3.2Å
17F43.1Very low49.6Very low198 Ų198137.7 Ų137.787%0.86877%0.774SS**  trans-65.7152.7-169-79.8-108.8000113
18S50.2Low49.4Very low107 Ų107141 Ų14175%0.74878%0.778SS**  trans67.383160.343.80000118.5
19D42.6Very low49.3Very low154 Ų154134.5 Ų134.582%0.82476%0.763SS**  trans-117.178.7144.4-158.3-69.4000107.6S21D19-S21 PolarHBondContact O-N 2.66Å; D19-S21 PolarHBondContact OD1-N 2.74Å
20H47.4Very low49.4Very low170 Ų170137 Ų13779%0.78778%0.777SS**  trans-78.891.9156.9-78.8-69.4000106.2L22H20-L22 VanDerWaalsContact C-N 3.29Å; H20-L22 PolarHBondContact O-N 2.96Å
21S54.8Low49.7Very low104 Ų104133.1 Ų133.173%0.72777%0.769SS**  trans-39.297.7152-1730000109.5D19D19-S21 PolarHBondContact O-N 2.66Å; D19-S21 PolarHBondContact OD1-N 2.74Å
22L46.2Very low49.6Very low132 Ų132127.9 Ų127.969%0.69176%0.759SS**  trans-105.290.2160.9-70.6178.7000105.3H20 I24H20-L22 VanDerWaalsContact C-N 3.29Å; H20-L22 PolarHBondContact O-N 2.96Å; L22-I24 HydrophobicContact CB-CD1 3.98Å; L22-I24 HydrophobicContact CB-CG1 4.09Å; L22-I24 HydrophobicContact CD1-CD1 4.1Å; L22-I24 HydrophobicContact CD2-CD1 4.41Å; L22-I24 HydrophobicContact CG-CD1 4.39Å; L22-I24 PolarHBondContact O-N 3.38Å
23G54.4Low50.3Low77 Ų77122.6 Ų122.679%0.79474%0.741SS**  trans-56.780.4150.600000108.5
24I47.9Very low50.9Low95 Ų95122.9 Ų122.949%0.48773%0.734SS.*  trans-117.489.2163.2-59.1168.6000104L22 R26L22-I24 HydrophobicContact CB-CD1 3.98Å; L22-I24 HydrophobicContact CB-CG1 4.09Å; L22-I24 HydrophobicContact CD1-CD1 4.1Å; L22-I24 HydrophobicContact CD2-CD1 4.41Å; L22-I24 HydrophobicContact CG-CD1 4.39Å; L22-I24 PolarHBondContact O-N 3.38Å; I24-R26 HydrophobicContact CG2-CB 3.79Å; I24-R26 HydrophobicContact CG2-CG 3.51Å; I24-R26 PolarHBondContact O-N 3.46Å
25S56.8Low52Low123 Ų123124.6 Ų124.686%0.8673%0.726SS**  trans-57.975.9152.51770000107.6S27S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact O-N 3.05Å; S25-S27 VanDerWaalsContact O-N 3.14Å
26R53.3Low52.5Low211 Ų211122.8 Ų122.880%0.79671%0.707SS**  trans-82.991.1169.1-113.4171.2174.9169.4-4.4105.7I24 K28I24-R26 HydrophobicContact CG2-CB 3.79Å; I24-R26 HydrophobicContact CG2-CG 3.51Å; I24-R26 PolarHBondContact O-N 3.46Å; R26-K28 PolarHBondContact O-N 3.16Å; R26-K28 VanDerWaalsContact O-N 3.08Å
27S45Very low53.6Low87 Ų87122.5 Ų122.561%0.60869%0.689SS**  trans-24112.115546.40000110.3S25 T29S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact O-N 3.05Å; S25-S27 VanDerWaalsContact O-N 3.14Å; S27-T29 PolarHBondContact O-N 3.3Å
28K47.1Very low54.8Low207 Ų207118 Ų11890%0.967%0.673SS**  trans-6284.6168.9-171.3170.2-176.8174.20107.4R26R26-K28 PolarHBondContact O-N 3.16Å; R26-K28 VanDerWaalsContact O-N 3.08Å
29T53.7Low56.1Low86 Ų86122.5 Ų122.553%0.52868%0.675SS.*  trans-77.1124.5162.847.10000106.3S27 V31S27-T29 PolarHBondContact O-N 3.3Å; T29-V31 PolarHBondContact O-N 3.05Å
30P50.2Low58.2Low131 Ų131118.1 Ų118.185%0.85165%0.651SS**THydrogen-bonded Turntrans-75.833.5-169.631.7-36.3000113.8
31V53.4Low60.4Low108 Ų108115 Ų11566%0.65564%0.639SS**THydrogen-bonded Turntrans-114.9-0.8-164.7-61.60000115.7T29T29-V31 PolarHBondContact O-N 3.05Å
32D53.6Low62.2Low141 Ų141114.3 Ų114.375%0.75463%0.627SS**  trans-135.244.4-169.5-79.1-69.7000115
33D66.1Low64.4Low94 Ų94111 Ų11150%0.50361%0.61SS.*  trans-109103.4158.1-175.653.9000109L35 S36D33-L35 PolarHBondContact O-N 2.65Å; D33-L35 VanDerWaalsContact O-N 3.08Å; D33-S36 WeakPolarHBondContact O-CA 3.39Å; D33-S36 WeakPolarHBondContact O-CB 3.06Å; D33-S36 PolarHBondContact O-N 3.4Å; D33-S36 PolarHBondContact OD2-N 2.88Å
34P61.8Low66.3Low108 Ų108108.7 Ų108.770%0.70158%0.581SS**THydrogen-bonded Turntrans-57-25.9-178.6-25.433.6000113.3
35L66.6Low68.5Low105 Ų105106.7 Ų106.755%0.5557%0.568SS.*THydrogen-bonded Turntrans-82.7-20.3176.8-56.4-177.7000112.6D33 L37 L38 Y39D33-L35 PolarHBondContact O-N 2.65Å; D33-L35 VanDerWaalsContact O-N 3.08Å; L35-L37 PolarHBondContact O-N 3.05Å; L35-L38 HydrophobicContact CB-CD1 4.4Å; L35-L38 HydrophobicContact CD2-CD1 3.66Å; L35-L38 VanDerWaalsContact O-CB 3.28Å; L35-L38 WeakPolarHBondContact O-CB 3.4Å; L35-L38 PolarHBondContact O-N 3.25Å; L35-Y39 WeakPolarHBondContact O-CD2 3.49Å
36S66.8Low70.2Confident69 Ų69104 Ų10448%0.48355%0.549SS..G310 helixtrans-57.6-32173.6-172.40000111.6D33 L38 Y39D33-S36 WeakPolarHBondContact O-CA 3.39Å; D33-S36 WeakPolarHBondContact O-CB 3.06Å; D33-S36 PolarHBondContact O-N 3.4Å; D33-S36 PolarHBondContact OD2-N 2.88Å; S36-L38 PolarHBondContact O-N 3.48Å; S36-Y39 PolarHBondContact O-N 3.38Å
37L65.2Low72.2Confident66 Ų6698.1 Ų98.135%0.34653%0.529SS..G310 helixtrans-61.5-32.1175.6-149.578.3000112.3L35 Y39 N40 D43 C44 K47L35-L37 PolarHBondContact O-N 3.05Å; L37-Y39 VanDerWaalsContact C-N 3.26Å; L37-Y39 PolarHBondContact O-N 3.47Å; L37-N40 PolarHBondContact O-N 2.94Å; L37-N40 VanDerWaalsContact O-O 3.05Å; L37-D43 HydrophobicContact CD1-CB 3.46Å; L37-D43 VanDerWaalsContact CD1-CB 3.46Å; L37-D43 HydrophobicContact CG-CB 3.74Å; L37-C44 PolarHBondContact O-SG 3.49Å; L37-C44 VanDerWaalsContact O-SG 3.36Å; L37-K47 HydrophobicContact CD2-CB 3.78Å; L37-K47 HydrophobicContact CD2-CD 4.42Å; L37-K47 HydrophobicContact CD2-CG 4Å
38L67.7Low74.6Confident104 Ų10496.2 Ų96.255%0.54551%0.512SS..G310 helixtrans-71.8-20-178.6-61.9171.3000112.9L35 S36 N40 M41L35-L38 HydrophobicContact CB-CD1 4.4Å; L35-L38 HydrophobicContact CD2-CD1 3.66Å; L35-L38 VanDerWaalsContact O-CB 3.28Å; L35-L38 WeakPolarHBondContact O-CB 3.4Å; L35-L38 PolarHBondContact O-N 3.25Å; S36-L38 PolarHBondContact O-N 3.48Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-M41 WeakPolarHBondContact O-CE 3.47Å
39Y77.3Confident76.9Confident201 Ų20188.2 Ų88.279%0.78848%0.477SS*.G310 helixtrans-79.5-16.1177.8-68.3-74.6000113L35 S36 L37L35-Y39 WeakPolarHBondContact O-CD2 3.49Å; S36-Y39 PolarHBondContact O-N 3.38Å; L37-Y39 VanDerWaalsContact C-N 3.26Å; L37-Y39 PolarHBondContact O-N 3.47Å
40N87.6Confident78.8Confident61 Ų6189.9 Ų89.933%0.32648%0.479SS..  trans-121.2109.5175.9179.116.6000111.1L37 L38 N42 D43 C44L37-N40 PolarHBondContact O-N 2.94Å; L37-N40 VanDerWaalsContact O-O 3.05Å; L38-N40 VanDerWaalsContact C-N 3.32Å; N40-N42 PolarHBondContact O-N 3.4Å; N40-N42 VanDerWaalsContact O-N 3.11Å; N40-N42 PolarHBondContact OD1-N 2.84Å; N40-D43 HydrophobicContact CB-CB 4.38Å; N40-D43 WeakPolarHBondContact CB-OD2 3.49Å; N40-D43 PolarHBondContact ND2-OD1 2.99Å; N40-D43 PolarHBondContact ND2-OD2 3.41Å; N40-D43 PolarHBondContact O-N 3Å; N40-C44 PolarHBondContact O-N 2.82Å
41M92.9Very high81.1Confident106 Ų10688.3 Ų88.352%0.52246%0.463SS..Hα-helixtrans-57.8-31.5-178-69.2-62.198.500113.8L38 D43 C44 Y45L38-M41 WeakPolarHBondContact O-CE 3.47Å; M41-D43 VanDerWaalsContact C-N 3.29Å; M41-D43 PolarHBondContact O-N 3.47Å; M41-C44 WeakPolarHBondContact O-CB 3.33Å; M41-C44 PolarHBondContact O-N 3.32Å; M41-Y45 WeakPolarHBondContact O-CD2 3.46Å; M41-Y45 PolarHBondContact O-N 3.04Å
42N92.3Very high83.1Confident88 Ų8883.4 Ų83.447%0.47143%0.433SS..Hα-helixtrans-70.3-29.1-179.8-63.5-38.8000112.5N40 Y45 S46 K63N40-N42 PolarHBondContact O-N 3.4Å; N40-N42 VanDerWaalsContact O-N 3.11Å; N40-N42 PolarHBondContact OD1-N 2.84Å; N42-Y45 PolarHBondContact O-N 3.25Å; N42-S46 PolarHBondContact O-N 3.48Å; N42-S46 PolarHBondContact O-OG 3.14Å; N42-K63 PolarHBondContact OD1-NZ 3.04Å
43D92.3Very high85.1Confident63 Ų6381.7 Ų81.734%0.33743%0.43SS..Hα-helixtrans-74.7-35.1178-60.4-19.3000110.6L37 N40 M41 Y45 S46 K47L37-D43 HydrophobicContact CD1-CB 3.46Å; L37-D43 VanDerWaalsContact CD1-CB 3.46Å; L37-D43 HydrophobicContact CG-CB 3.74Å; N40-D43 HydrophobicContact CB-CB 4.38Å; N40-D43 WeakPolarHBondContact CB-OD2 3.49Å; N40-D43 PolarHBondContact ND2-OD1 2.99Å; N40-D43 PolarHBondContact ND2-OD2 3.41Å; N40-D43 PolarHBondContact O-N 3Å; M41-D43 VanDerWaalsContact C-N 3.29Å; M41-D43 PolarHBondContact O-N 3.47Å; D43-Y45 PolarHBondContact O-N 3.4Å; D43-S46 PolarHBondContact O-N 2.91Å; D43-K47 PolarHBondContact O-N 3.34Å
44C94Very high86.5Confident29 Ų2980.4 Ų80.420%0.19643%0.428CS..Hα-helixtrans-56.4-49.2169.2-64.20000111.4L37 N40 M41 S46 K47 L48L37-C44 PolarHBondContact O-SG 3.49Å; L37-C44 VanDerWaalsContact O-SG 3.36Å; N40-C44 PolarHBondContact O-N 2.82Å; M41-C44 WeakPolarHBondContact O-CB 3.33Å; M41-C44 PolarHBondContact O-N 3.32Å; C44-S46 VanDerWaalsContact C-N 3.31Å; C44-S46 PolarHBondContact O-N 3.41Å; C44-K47 PolarHBondContact O-N 3.19Å; C44-L48 VanDerWaalsContact O-CG 3.3Å; C44-L48 WeakPolarHBondContact O-CG 3.38Å; C44-L48 PolarHBondContact O-N 2.92Å
45Y94.8Very high88.1Confident52 Ų5275.5 Ų75.520%0.20440%0.396CS..Hα-helixtrans-61.4-39.8177.2-72.5-70.8000112.3M41 N42 D43 K47 L48 K49 K63 I66 L67M41-Y45 WeakPolarHBondContact O-CD2 3.46Å; M41-Y45 PolarHBondContact O-N 3.04Å; N42-Y45 PolarHBondContact O-N 3.25Å; D43-Y45 PolarHBondContact O-N 3.4Å; Y45-K47 VanDerWaalsContact C-N 3.31Å; Y45-K47 PolarHBondContact O-N 2.89Å; Y45-L48 HydrophobicContact CD1-CD1 4.32Å; Y45-L48 PolarHBondContact O-N 3.23Å; Y45-K49 WeakPolarHBondContact O-CG 3.22Å; Y45-K49 PolarHBondContact O-N 3.11Å; Y45-K49 VanDerWaalsContact O-N 3.11Å; Y45-K63 HydrophobicContact CD1-CB 4.44Å; Y45-K63 HydrophobicContact CD1-CG 4.24Å; Y45-K63 HydrophobicContact CD2-CD 4.16Å; Y45-K63 HydrophobicContact CD2-CG 4.12Å; Y45-K63 HydrophobicContact CE1-CB 3.81Å; Y45-K63 HydrophobicContact CE1-CD 4.47Å; Y45-K63 HydrophobicContact CE1-CG 3.93Å; Y45-K63 HydrophobicContact CE2-CB 4.46Å; Y45-K63 HydrophobicContact CE2-CD 3.61Å; Y45-K63 HydrophobicContact CE2-CG 3.86Å; Y45-K63 HydrophobicContact CG-CG 4.35Å; Y45-I66 HydrophobicContact CD1-CB 4.22Å; Y45-I66 HydrophobicContact CD1-CD1 4Å; Y45-I66 HydrophobicContact CD1-CG2 3.88Å; Y45-I66 HydrophobicContact CG-CD1 4.45Å; Y45-L67 HydrophobicContact CE1-CD2 4.2Å; Y45-L67 HydrophobicContact CE1-CG 4.26Å
46S93.1Very high89.4Confident67 Ų6772.2 Ų72.247%0.46938%0.381SS..Hα-helixtrans-61.6-41.7176.4-57.70000111.3N42 D43 C44 L48 K49 E50N42-S46 PolarHBondContact O-N 3.48Å; N42-S46 PolarHBondContact O-OG 3.14Å; D43-S46 PolarHBondContact O-N 2.91Å; C44-S46 VanDerWaalsContact C-N 3.31Å; C44-S46 PolarHBondContact O-N 3.41Å; S46-L48 PolarHBondContact O-N 3.34Å; S46-K49 WeakPolarHBondContact O-CB 3.46Å; S46-K49 PolarHBondContact O-N 3.5Å; S46-E50 PolarHBondContact O-N 3.35Å
47K94.3Very high90.6Very high88 Ų8875.1 Ų75.138%0.38339%0.387SS..Hα-helixtrans-66.7-37.1176.1-167.266.2-172.1168.60113.1L37 D43 C44 Y45 K49 E50 L51L37-K47 HydrophobicContact CD2-CB 3.78Å; L37-K47 HydrophobicContact CD2-CD 4.42Å; L37-K47 HydrophobicContact CD2-CG 4Å; D43-K47 PolarHBondContact O-N 3.34Å; C44-K47 PolarHBondContact O-N 3.19Å; Y45-K47 VanDerWaalsContact C-N 3.31Å; Y45-K47 PolarHBondContact O-N 2.89Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 3.1Å; K47-E50 WeakPolarHBondContact CD-OE2 3.26Å; K47-E50 IonicContact NZ-OE2 3.88Å; K47-E50 PolarHBondContact NZ-OE2 3.24Å; K47-E50 WeakPolarHBondContact O-CB 3.33Å; K47-E50 PolarHBondContact O-N 3.03Å; K47-E50 VanDerWaalsContact O-N 3.11Å; K47-L51 HydrophobicContact CG-CD1 4.02Å; K47-L51 HydrophobicContact CG-CG 4.43Å; K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 3.29Å; K47-L51 VanDerWaalsContact O-N 3.08Å
48L95.8Very high91.8Very high47 Ų4779.5 Ų79.525%0.24641%0.411CS..Hα-helixtrans-61.4-37.8174.1-66.1168.8000111.4C44 Y45 S46 E50 L51 V52 I66 V70C44-L48 VanDerWaalsContact O-CG 3.3Å; C44-L48 WeakPolarHBondContact O-CG 3.38Å; C44-L48 PolarHBondContact O-N 2.92Å; Y45-L48 HydrophobicContact CD1-CD1 4.32Å; Y45-L48 PolarHBondContact O-N 3.23Å; S46-L48 PolarHBondContact O-N 3.34Å; L48-E50 VanDerWaalsContact C-N 3.26Å; L48-E50 PolarHBondContact O-N 3.08Å; L48-L51 PolarHBondContact O-N 3.42Å; L48-V52 WeakPolarHBondContact O-CB 3.35Å; L48-V52 WeakPolarHBondContact O-CG2 3.26Å; L48-V52 PolarHBondContact O-N 3.21Å; L48-I66 HydrophobicContact CB-CG2 3.87Å; L48-I66 HydrophobicContact CD1-CG2 4.06Å; L48-V70 HydrophobicContact CB-CG2 4.04Å; L48-V70 HydrophobicContact CD1-CG2 4.16Å; L48-V70 HydrophobicContact CD2-CG1 4.29Å; L48-V70 HydrophobicContact CD2-CG2 3.78Å; L48-V70 HydrophobicContact CG-CG2 4.19Å
49K95Very high92.8Very high39 Ų3979.4 Ų79.417%0.1741%0.406CS..Hα-helixtrans-64.6-27.6174.3-61.6-177.676.5-172.80113.5Y45 S46 K47 I55 P56 Q57 K59 I66Y45-K49 WeakPolarHBondContact O-CG 3.22Å; Y45-K49 PolarHBondContact O-N 3.11Å; Y45-K49 VanDerWaalsContact O-N 3.11Å; S46-K49 WeakPolarHBondContact O-CB 3.46Å; S46-K49 PolarHBondContact O-N 3.5Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 3.1Å; K49-I55 HydrophobicContact CB-CG2 4.25Å; K49-I55 HydrophobicContact CG-CG2 3.86Å; K49-P56 WeakPolarHBondContact CE-O 3.35Å; K49-P56 PolarHBondContact NZ-O 3.34Å; K49-Q57 PolarHBondContact NZ-O 3.02Å; K49-Q57 PolarHBondContact O-NE2 3.37Å; K49-K59 PolarHBondContact NZ-O 3.05Å; K49-I66 HydrophobicContact CD-CD1 4.38Å; K49-I66 HydrophobicContact CG-CD1 4.14Å
50E95.2Very high93.5Very high121 Ų12177.8 Ų77.857%0.56541%0.411SS*.Hα-helixtrans-78.2-37.3175.3-66.5-178170.600112.3S46 K47 L48S46-E50 PolarHBondContact O-N 3.35Å; K47-E50 WeakPolarHBondContact CD-OE2 3.26Å; K47-E50 IonicContact NZ-OE2 3.88Å; K47-E50 PolarHBondContact NZ-OE2 3.24Å; K47-E50 WeakPolarHBondContact O-CB 3.33Å; K47-E50 PolarHBondContact O-N 3.03Å; K47-E50 VanDerWaalsContact O-N 3.11Å; L48-E50 VanDerWaalsContact C-N 3.26Å; L48-E50 PolarHBondContact O-N 3.08Å
51L96.5Very high93.8Very high98 Ų9876 Ų7651%0.51340%0.402SS..Hα-helixtrans-84.5-27.1-172.6-67.4175.1000113.9K47 L48 P53 Y73K47-L51 HydrophobicContact CG-CD1 4.02Å; K47-L51 HydrophobicContact CG-CG 4.43Å; K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 3.29Å; K47-L51 VanDerWaalsContact O-N 3.08Å; L48-L51 PolarHBondContact O-N 3.42Å; L51-P53 WeakPolarHBondContact O-CD 3.49Å; L51-Y73 WeakPolarHBondContact O-CE1 3.23Å
52V97Very high94Very high4 Ų473.9 Ų73.92%0.02440%0.398CS..  trans-100.6112.2-176-176.50000110.7L48 S54 I55 H69 V70 Y73L48-V52 WeakPolarHBondContact O-CB 3.35Å; L48-V52 WeakPolarHBondContact O-CG2 3.26Å; L48-V52 PolarHBondContact O-N 3.21Å; V52-S54 VanDerWaalsContact C-N 3.27Å; V52-S54 WeakPolarHBondContact CG1-OG 3.48Å; V52-S54 PolarHBondContact O-N 3Å; V52-I55 HydrophobicContact CB-CD1 3.62Å; V52-I55 HydrophobicContact CB-CG1 3.81Å; V52-I55 HydrophobicContact CG1-CD1 3.88Å; V52-I55 HydrophobicContact CG1-CG1 3.71Å; V52-I55 HydrophobicContact CG2-CD1 4.05Å; V52-I55 PolarHBondContact O-N 3.01Å; V52-I55 VanDerWaalsContact O-N 3.14Å; V52-H69 HydrophobicContact CG1-CB 4.13Å; V52-V70 HydrophobicContact CG2-CB 4.47Å; V52-V70 HydrophobicContact CG2-CG2 3.69Å; V52-Y73 HydrophobicContact CB-CD1 4.42Å; V52-Y73 HydrophobicContact CG1-CD1 4.37Å; V52-Y73 HydrophobicContact CG1-CG 4.14Å; V52-Y73 HydrophobicContact CG2-CD1 3.92Å; V52-Y73 HydrophobicContact CG2-CG 4.46Å
53P96Very high94.2Very high105 Ų10574.9 Ų74.968%0.68240%0.398SS*.THydrogen-bonded Turntrans-63-27.5-172.8-23.933.7000115.1L51 I55 Y73L51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-I55 VanDerWaalsContact C-N 3.29Å; P53-I55 PolarHBondContact O-N 3.03Å; P53-Y73 HydrophobicContact CG-CE2 4.08Å
54S94.8Very high94.5Very high67 Ų6777.5 Ų77.547%0.46941%0.409SS..THydrogen-bonded Turntrans-77.3-14.5-178.9570000113.3V52 P56 H69V52-S54 VanDerWaalsContact C-N 3.27Å; V52-S54 WeakPolarHBondContact CG1-OG 3.48Å; V52-S54 PolarHBondContact O-N 3Å; S54-P56 WeakPolarHBondContact O-CD 3.46Å; S54-H69 PolarHBondContact OG-ND1 3.21Å
55I96.1Very high94.7Very high6 Ų679 Ų793%0.03141%0.413CS..SBendtrans-88120.1-177.2-54.7179.3000110.3K49 V52 P53 Q57 V61 I66 H69 V70K49-I55 HydrophobicContact CB-CG2 4.25Å; K49-I55 HydrophobicContact CG-CG2 3.86Å; V52-I55 HydrophobicContact CB-CD1 3.62Å; V52-I55 HydrophobicContact CB-CG1 3.81Å; V52-I55 HydrophobicContact CG1-CD1 3.88Å; V52-I55 HydrophobicContact CG1-CG1 3.71Å; V52-I55 HydrophobicContact CG2-CD1 4.05Å; V52-I55 PolarHBondContact O-N 3.01Å; V52-I55 VanDerWaalsContact O-N 3.14Å; P53-I55 VanDerWaalsContact C-N 3.29Å; P53-I55 PolarHBondContact O-N 3.03Å; I55-Q57 PolarHBondContact O-N 3.26Å; I55-V61 HydrophobicContact CG2-CG2 4.23Å; I55-I66 HydrophobicContact CD1-CB 4.37Å; I55-I66 HydrophobicContact CD1-CG1 4.49Å; I55-I66 HydrophobicContact CD1-CG2 3.93Å; I55-I66 HydrophobicContact CG2-CG1 4.46Å; I55-H69 HydrophobicContact CD1-CB 3.7Å; I55-H69 HydrophobicContact CG1-CB 3.42Å; I55-H69 VanDerWaalsContact CG1-CB 3.42Å; I55-V70 HydrophobicContact CD1-CG2 4.42Å
56P93.9Very high94.8Very high36 Ų3676.8 Ų76.823%0.23441%0.405CS..  trans-71.4127.8178.124.7-31.8000112.3K49 S54 K59 V61K49-P56 WeakPolarHBondContact CE-O 3.35Å; K49-P56 PolarHBondContact NZ-O 3.34Å; S54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-K59 HydrophobicContact CB-CD 3.75Å; P56-K59 HydrophobicContact CB-CG 3.82Å; P56-K59 HydrophobicContact CG-CD 3.28Å; P56-K59 HydrophobicContact CG-CG 3.56Å; P56-V61 HydrophobicContact CG-CG2 3.98Å
57Q90.9Very high95.1Very high129 Ų12977.1 Ų77.160%0.60340%0.401SS*.SBendtrans-80.4-35.7-173.1-65.6-179.5-15.900113.2K49 I55 K59K49-Q57 PolarHBondContact NZ-O 3.02Å; K49-Q57 PolarHBondContact O-NE2 3.37Å; I55-Q57 PolarHBondContact O-N 3.26Å; Q57-K59 PolarHBondContact O-N 3.45Å
58N89.6Confident95.3Very high159 Ų15977.6 Ų77.685%0.8541%0.405SS*.SBendtrans-87.33.8-174.564.3-7.1000114.8
59K89.7Confident95.4Very high102 Ų10277.6 Ų77.644%0.44340%0.404SS..SBendtrans-121.3157.4176.583.9-175.7-154-1650111.7K49 P56 Q57 V61 E65K49-K59 PolarHBondContact NZ-O 3.05Å; P56-K59 HydrophobicContact CB-CD 3.75Å; P56-K59 HydrophobicContact CB-CG 3.82Å; P56-K59 HydrophobicContact CG-CD 3.28Å; P56-K59 HydrophobicContact CG-CG 3.56Å; Q57-K59 PolarHBondContact O-N 3.45Å; K59-V61 HydrophobicContact CD-CG2 4.44Å; K59-V61 HydrophobicContact CG-CG2 3.79Å; K59-E65 IonicContact NZ-OE1 3.5Å
60N91.9Very high95.5Very high167 Ų16776.7 Ų76.789%0.89340%0.402SS*.  trans-74.1123.7168.8-66.9-53.4000108.8
61V94.8Very high95.7Very high23 Ų2375.7 Ų75.714%0.13940%0.399CS..  trans-120.5137.5179.1-175.60000106.8I55 P56 K59 E65 I66I55-V61 HydrophobicContact CG2-CG2 4.23Å; P56-V61 HydrophobicContact CG-CG2 3.98Å; K59-V61 HydrophobicContact CD-CG2 4.44Å; K59-V61 HydrophobicContact CG-CG2 3.79Å; V61-E65 HydrophobicContact CG1-CB 3.72Å; V61-E65 HydrophobicContact CG1-CG 3.62Å; V61-I66 HydrophobicContact CB-CD1 4.39Å; V61-I66 HydrophobicContact CB-CG1 4.04Å; V61-I66 HydrophobicContact CG1-CG1 3.71Å
62S97.1Very high95.8Very high62 Ų6275.1 Ų75.143%0.43440%0.396SS..  trans-66.9152179.2750000110.8M64 E65 I66S62-M64 PolarHBondContact O-N 3.11Å; S62-E65 PolarHBondContact O-N 2.89Å; S62-E65 VanDerWaalsContact O-N 3.17Å; S62-E65 VanDerWaalsContact OG-CB 3.23Å; S62-E65 WeakPolarHBondContact OG-CB 3.32Å; S62-E65 PolarHBondContact OG-N 3.42Å; S62-E65 VanDerWaalsContact OG-N 3.09Å; S62-I66 WeakPolarHBondContact O-CG1 3.32Å; S62-I66 PolarHBondContact O-N 3.47Å
63K96.4Very high95.8Very high108 Ų10878.5 Ų78.547%0.4741%0.409SS..Hα-helixtrans-55.3-38.7175.5-70.1-179.3175.9-179.80111.4N42 Y45 I66 L67N42-K63 PolarHBondContact OD1-NZ 3.04Å; Y45-K63 HydrophobicContact CD1-CB 4.44Å; Y45-K63 HydrophobicContact CD1-CG 4.24Å; Y45-K63 HydrophobicContact CD2-CD 4.16Å; Y45-K63 HydrophobicContact CD2-CG 4.12Å; Y45-K63 HydrophobicContact CE1-CB 3.81Å; Y45-K63 HydrophobicContact CE1-CD 4.47Å; Y45-K63 HydrophobicContact CE1-CG 3.93Å; Y45-K63 HydrophobicContact CE2-CB 4.46Å; Y45-K63 HydrophobicContact CE2-CD 3.61Å; Y45-K63 HydrophobicContact CE2-CG 3.86Å; Y45-K63 HydrophobicContact CG-CG 4.35Å; K63-I66 PolarHBondContact O-N 3.48Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.39Å; K63-L67 PolarHBondContact O-N 3.33Å; K63-L67 VanDerWaalsContact O-N 3.07Å
64M98.1Very high95.9Very high118 Ų11877.5 Ų77.558%0.58140%0.397SS*.Hα-helixtrans-64-47.2177.9-17563.7-168.900112.2S62 I66 L67 Q68S62-M64 PolarHBondContact O-N 3.11Å; M64-I66 VanDerWaalsContact C-N 3.31Å; M64-I66 PolarHBondContact O-N 3.37Å; M64-L67 PolarHBondContact O-N 3.23Å; M64-L67 VanDerWaalsContact O-N 3.12Å; M64-Q68 HydrophobicContact CE-CG 4.16Å; M64-Q68 WeakPolarHBondContact O-CG 3.45Å; M64-Q68 PolarHBondContact O-N 2.93Å
65E97.8Very high96.1Very high60 Ų6078.2 Ų78.228%0.2840%0.395SS..Hα-helixtrans-64.4-37.3179.1-175.3-178.3162.100111.2K59 V61 S62 L67 Q68 H69K59-E65 IonicContact NZ-OE1 3.5Å; V61-E65 HydrophobicContact CG1-CB 3.72Å; V61-E65 HydrophobicContact CG1-CG 3.62Å; S62-E65 PolarHBondContact O-N 2.89Å; S62-E65 VanDerWaalsContact O-N 3.17Å; S62-E65 VanDerWaalsContact OG-CB 3.23Å; S62-E65 WeakPolarHBondContact OG-CB 3.32Å; S62-E65 PolarHBondContact OG-N 3.42Å; S62-E65 VanDerWaalsContact OG-N 3.09Å; E65-L67 PolarHBondContact O-N 3.14Å; E65-Q68 PolarHBondContact O-N 3.12Å; E65-H69 PolarHBondContact O-CD2 3.19Å; E65-H69 PolarHBondContact O-N 2.77Å; E65-H69 VanDerWaalsContact O-N 3.12Å
66I97.4Very high96.1Very high7 Ų782.9 Ų82.94%0.03642%0.42CS..Hα-helixtrans-58.7-47.8170.9-66.6170000110.7Y45 L48 K49 I55 V61 S62 K63 M64 Q68 H69 V70Y45-I66 HydrophobicContact CD1-CB 4.22Å; Y45-I66 HydrophobicContact CD1-CD1 4Å; Y45-I66 HydrophobicContact CD1-CG2 3.88Å; Y45-I66 HydrophobicContact CG-CD1 4.45Å; L48-I66 HydrophobicContact CB-CG2 3.87Å; L48-I66 HydrophobicContact CD1-CG2 4.06Å; K49-I66 HydrophobicContact CD-CD1 4.38Å; K49-I66 HydrophobicContact CG-CD1 4.14Å; I55-I66 HydrophobicContact CD1-CB 4.37Å; I55-I66 HydrophobicContact CD1-CG1 4.49Å; I55-I66 HydrophobicContact CD1-CG2 3.93Å; I55-I66 HydrophobicContact CG2-CG1 4.46Å; V61-I66 HydrophobicContact CB-CD1 4.39Å; V61-I66 HydrophobicContact CB-CG1 4.04Å; V61-I66 HydrophobicContact CG1-CG1 3.71Å; S62-I66 WeakPolarHBondContact O-CG1 3.32Å; S62-I66 PolarHBondContact O-N 3.47Å; K63-I66 PolarHBondContact O-N 3.48Å; M64-I66 VanDerWaalsContact C-N 3.31Å; M64-I66 PolarHBondContact O-N 3.37Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.47Å; I66-H69 PolarHBondContact O-N 2.9Å; I66-V70 HydrophobicContact CG2-CG2 4.29Å; I66-V70 WeakPolarHBondContact O-CG2 3.48Å; I66-V70 PolarHBondContact O-N 3.45Å
67L98.2Very high96.2Very high73 Ų7384.6 Ų84.638%0.38243%0.427SS..Hα-helixtrans-63.7-37.7-179-67.6176.2000112.5Y45 K63 M64 E65 V70 I71Y45-L67 HydrophobicContact CE1-CD2 4.2Å; Y45-L67 HydrophobicContact CE1-CG 4.26Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.39Å; K63-L67 PolarHBondContact O-N 3.33Å; K63-L67 VanDerWaalsContact O-N 3.07Å; M64-L67 PolarHBondContact O-N 3.23Å; M64-L67 VanDerWaalsContact O-N 3.12Å; E65-L67 PolarHBondContact O-N 3.14Å; L67-V70 PolarHBondContact O-N 2.95Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.14Å; L67-I71 PolarHBondContact O-N 3.5Å
68Q98.5Very high96.5Very high98 Ų9883.9 Ų83.946%0.45842%0.424SS..Hα-helixtrans-61.2-51.2175.4-72174.6-32.900111.4M64 E65 I66 V70 I71 D72M64-Q68 HydrophobicContact CE-CG 4.16Å; M64-Q68 WeakPolarHBondContact O-CG 3.45Å; M64-Q68 PolarHBondContact O-N 2.93Å; E65-Q68 PolarHBondContact O-N 3.12Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.47Å; Q68-V70 PolarHBondContact O-N 3.25Å; Q68-I71 PolarHBondContact O-N 3.34Å; Q68-I71 VanDerWaalsContact O-N 3.11Å; Q68-D72 PolarHBondContact O-N 3.42Å
69H98.2Very high96.7Very high47 Ų4781.3 Ų81.322%0.21841%0.409CS..Hα-helixtrans-60.4-33.9177.3-75.1-58.9000113.3V52 S54 I55 E65 I66 Y73V52-H69 HydrophobicContact CG1-CB 4.13Å; S54-H69 PolarHBondContact OG-ND1 3.21Å; I55-H69 HydrophobicContact CD1-CB 3.7Å; I55-H69 HydrophobicContact CG1-CB 3.42Å; I55-H69 VanDerWaalsContact CG1-CB 3.42Å; E65-H69 PolarHBondContact O-CD2 3.19Å; E65-H69 PolarHBondContact O-N 2.77Å; E65-H69 VanDerWaalsContact O-N 3.12Å; I66-H69 PolarHBondContact O-N 2.9Å; H69-Y73 VanDerWaalsContact O-CB 3.32Å; H69-Y73 WeakPolarHBondContact O-CB 3.46Å; H69-Y73 PolarHBondContact O-N 2.9Å
70V98.3Very high97Very high21 Ų2179.5 Ų79.513%0.12741%0.413CS..Hα-helixtrans-67.6-41.7175.7171.10000111.5L48 V52 I55 I66 L67 Q68 Y73 I74L48-V70 HydrophobicContact CB-CG2 4.04Å; L48-V70 HydrophobicContact CD1-CG2 4.16Å; L48-V70 HydrophobicContact CD2-CG1 4.29Å; L48-V70 HydrophobicContact CD2-CG2 3.78Å; L48-V70 HydrophobicContact CG-CG2 4.19Å; V52-V70 HydrophobicContact CG2-CB 4.47Å; V52-V70 HydrophobicContact CG2-CG2 3.69Å; I55-V70 HydrophobicContact CD1-CG2 4.42Å; I66-V70 HydrophobicContact CG2-CG2 4.29Å; I66-V70 WeakPolarHBondContact O-CG2 3.48Å; I66-V70 PolarHBondContact O-N 3.45Å; L67-V70 PolarHBondContact O-N 2.95Å; Q68-V70 PolarHBondContact O-N 3.25Å; V70-Y73 PolarHBondContact O-N 3.11Å; V70-I74 HydrophobicContact CG1-CD1 3.82Å; V70-I74 HydrophobicContact CG1-CG1 4.49Å; V70-I74 VanDerWaalsContact O-CG1 3.28Å; V70-I74 WeakPolarHBondContact O-CG1 3.23Å; V70-I74 PolarHBondContact O-N 3.43Å
71I98.3Very high97.1Very high99 Ų9976.6 Ų76.651%0.50840%0.397SS..Hα-helixtrans-60.9-51176.6-68.9163000109.7L67 Q68 Y73 I74 L75L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.14Å; L67-I71 PolarHBondContact O-N 3.5Å; Q68-I71 PolarHBondContact O-N 3.34Å; Q68-I71 VanDerWaalsContact O-N 3.11Å; I71-Y73 VanDerWaalsContact C-N 3.31Å; I71-Y73 PolarHBondContact O-N 3.37Å; I71-I74 PolarHBondContact O-N 3.03Å; I71-L75 HydrophobicContact CG2-CD1 3.89Å; I71-L75 HydrophobicContact CG2-CG 4.42Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 3.23Å
72D98.1Very high96.8Very high86 Ų8679.7 Ų79.746%0.4641%0.412SS..Hα-helixtrans-58.4-45.1180-65.2-23000111.3Q68 I74 L75 D76Q68-D72 PolarHBondContact O-N 3.42Å; D72-I74 PolarHBondContact O-N 3.17Å; D72-L75 PolarHBondContact O-N 3.23Å; D72-D76 PolarHBondContact O-N 2.98Å
73Y98.4Very high95.8Very high76 Ų7680 Ų8030%0.29841%0.414SS..Hα-helixtrans-63.9-39.4179.2-176-126000113.1L51 V52 P53 H69 V70 I71 L77L51-Y73 WeakPolarHBondContact O-CE1 3.23Å; V52-Y73 HydrophobicContact CB-CD1 4.42Å; V52-Y73 HydrophobicContact CG1-CD1 4.37Å; V52-Y73 HydrophobicContact CG1-CG 4.14Å; V52-Y73 HydrophobicContact CG2-CD1 3.92Å; V52-Y73 HydrophobicContact CG2-CG 4.46Å; P53-Y73 HydrophobicContact CG-CE2 4.08Å; H69-Y73 VanDerWaalsContact O-CB 3.32Å; H69-Y73 WeakPolarHBondContact O-CB 3.46Å; H69-Y73 PolarHBondContact O-N 2.9Å; V70-Y73 PolarHBondContact O-N 3.11Å; I71-Y73 VanDerWaalsContact C-N 3.31Å; I71-Y73 PolarHBondContact O-N 3.37Å; Y73-L77 HydrophobicContact CD1-CD1 3.98Å; Y73-L77 HydrophobicContact CD2-CD1 4.39Å; Y73-L77 HydrophobicContact CD2-CG 4.23Å; Y73-L77 HydrophobicContact CE1-CD1 3.6Å; Y73-L77 HydrophobicContact CE1-CG 4.4Å; Y73-L77 HydrophobicContact CE2-CD1 4.01Å; Y73-L77 HydrophobicContact CE2-CD2 4.06Å; Y73-L77 HydrophobicContact CE2-CG 3.92Å; Y73-L77 HydrophobicContact CG-CD1 4.38Å; Y73-L77 WeakPolarHBondContact O-CB 3.37Å; Y73-L77 VanDerWaalsContact O-CG 3.23Å; Y73-L77 WeakPolarHBondContact O-CG 3.28Å; Y73-L77 PolarHBondContact O-N 3.07Å
74I98.2Very high94.4Very high84 Ų8478 Ų7843%0.43141%0.414SS..Hα-helixtrans-64.4-43.4175.4-70.5168000110.5V70 I71 D72 L77 Q78V70-I74 HydrophobicContact CG1-CD1 3.82Å; V70-I74 HydrophobicContact CG1-CG1 4.49Å; V70-I74 VanDerWaalsContact O-CG1 3.28Å; V70-I74 WeakPolarHBondContact O-CG1 3.23Å; V70-I74 PolarHBondContact O-N 3.43Å; I71-I74 PolarHBondContact O-N 3.03Å; D72-I74 PolarHBondContact O-N 3.17Å; I74-L77 PolarHBondContact O-N 3.44Å; I74-Q78 HydrophobicContact CG2-CG 4.39Å; I74-Q78 WeakPolarHBondContact O-CB 3.43Å; I74-Q78 VanDerWaalsContact O-CG 3.26Å; I74-Q78 WeakPolarHBondContact O-CG 3.2Å; I74-Q78 PolarHBondContact O-N 2.99Å
75L97.8Very high92.6Very high82 Ų8279.1 Ų79.143%0.42942%0.422SS..Hα-helixtrans-63-45178.8-66.9172.1000111.3I71 D72 L77 Q78 I79I71-L75 HydrophobicContact CG2-CD1 3.89Å; I71-L75 HydrophobicContact CG2-CG 4.42Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 3.23Å; D72-L75 PolarHBondContact O-N 3.23Å; L75-L77 PolarHBondContact O-N 3.45Å; L75-Q78 WeakPolarHBondContact O-CB 3.3Å; L75-Q78 PolarHBondContact O-N 3.09Å; L75-I79 WeakPolarHBondContact O-CG1 3.31Å; L75-I79 PolarHBondContact O-N 3.46Å
76D96.8Very high90.7Very high104 Ų10482.5 Ų82.556%0.55644%0.438SS*.Hα-helixtrans-61-44.9176.9-74.2-15.5000111.8D72 Q78 I79 A80D72-D76 PolarHBondContact O-N 2.98Å; D76-Q78 VanDerWaalsContact C-N 3.34Å; D76-Q78 PolarHBondContact O-N 3.12Å; D76-I79 PolarHBondContact O-N 3.47Å; D76-A80 WeakPolarHBondContact O-CB 3.44Å; D76-A80 PolarHBondContact O-N 3.27Å
77L96.9Very high88.4Confident71 Ų7189.3 Ų89.337%0.37247%0.469SS..Hα-helixtrans-63-40.3176.3-73.1178.1000112Y73 I74 L75 A80 L81Y73-L77 HydrophobicContact CD1-CD1 3.98Å; Y73-L77 HydrophobicContact CD2-CD1 4.39Å; Y73-L77 HydrophobicContact CD2-CG 4.23Å; Y73-L77 HydrophobicContact CE1-CD1 3.6Å; Y73-L77 HydrophobicContact CE1-CG 4.4Å; Y73-L77 HydrophobicContact CE2-CD1 4.01Å; Y73-L77 HydrophobicContact CE2-CD2 4.06Å; Y73-L77 HydrophobicContact CE2-CG 3.92Å; Y73-L77 HydrophobicContact CG-CD1 4.38Å; Y73-L77 WeakPolarHBondContact O-CB 3.37Å; Y73-L77 VanDerWaalsContact O-CG 3.23Å; Y73-L77 WeakPolarHBondContact O-CG 3.28Å; Y73-L77 PolarHBondContact O-N 3.07Å; I74-L77 PolarHBondContact O-N 3.44Å; L75-L77 PolarHBondContact O-N 3.45Å; L77-A80 PolarHBondContact O-N 3.26Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 2.97Å
78Q95.8Very high86Confident114 Ų11490.8 Ų90.853%0.53348%0.483SS..Hα-helixtrans-60.8-44.1176.4-76.9174.7-9.900111.4I74 L75 D76 L81 D82I74-Q78 HydrophobicContact CG2-CG 4.39Å; I74-Q78 WeakPolarHBondContact O-CB 3.43Å; I74-Q78 VanDerWaalsContact O-CG 3.26Å; I74-Q78 WeakPolarHBondContact O-CG 3.2Å; I74-Q78 PolarHBondContact O-N 2.99Å; L75-Q78 WeakPolarHBondContact O-CB 3.3Å; L75-Q78 PolarHBondContact O-N 3.09Å; D76-Q78 VanDerWaalsContact C-N 3.34Å; D76-Q78 PolarHBondContact O-N 3.12Å; Q78-L81 PolarHBondContact O-N 3.22Å; Q78-D82 VanDerWaalsContact O-CB 3.26Å; Q78-D82 WeakPolarHBondContact O-CB 3.44Å; Q78-D82 PolarHBondContact O-N 2.99Å
79I95.1Very high83.6Confident106 Ų10690.2 Ų90.254%0.54450%0.495SS..Hα-helixtrans-64.7-44.9178.1-64.3161.7000111.2L75 D76 L81 D82 S83L75-I79 WeakPolarHBondContact O-CG1 3.31Å; L75-I79 PolarHBondContact O-N 3.46Å; D76-I79 PolarHBondContact O-N 3.47Å; I79-L81 VanDerWaalsContact C-N 3.35Å; I79-L81 PolarHBondContact O-N 3.05Å; I79-D82 PolarHBondContact O-N 3.48Å; I79-S83 WeakPolarHBondContact O-CB 3.02Å; I79-S83 PolarHBondContact O-N 3.46Å; I79-S83 PolarHBondContact O-OG 3.34Å
80A94.6Very high81.2Confident63 Ų6392.5 Ų92.552%0.52152%0.522SS..Hα-helixtrans-62.9-42.3179.800000111.8D76 L77 S84D76-A80 WeakPolarHBondContact O-CB 3.44Å; D76-A80 PolarHBondContact O-N 3.27Å; L77-A80 PolarHBondContact O-N 3.26Å; A80-S84 PolarHBondContact O-N 3.41Å
81L94.6Very high78.8Confident107 Ų107101.7 Ų101.756%0.5655%0.554SS**Hα-helixtrans-70.6-45.1177.9-69.9172.5000111.7L77 Q78 I79 S83 S84 L85L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 2.97Å; Q78-L81 PolarHBondContact O-N 3.22Å; I79-L81 VanDerWaalsContact C-N 3.35Å; I79-L81 PolarHBondContact O-N 3.05Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.4Å; L81-S84 WeakPolarHBondContact O-CB 3.14Å; L81-S84 PolarHBondContact O-N 3.26Å; L81-S84 PolarHBondContact O-OG 3.4Å; L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 2.79Å
82D89Confident76.2Confident87 Ų87103.3 Ų103.347%0.46557%0.571SS.*Hα-helixtrans-61.7-39.9-179.9-168.458000112Q78 I79 S84 L85 H86Q78-D82 VanDerWaalsContact O-CB 3.26Å; Q78-D82 WeakPolarHBondContact O-CB 3.44Å; Q78-D82 PolarHBondContact O-N 2.99Å; I79-D82 PolarHBondContact O-N 3.48Å; D82-S84 VanDerWaalsContact C-N 3.3Å; D82-S84 PolarHBondContact O-N 3.4Å; D82-L85 PolarHBondContact O-N 2.85Å; D82-H86 WeakPolarHBondContact O-CB 3.34Å; D82-H86 PolarHBondContact O-N 2.87Å; D82-H86 PolarHBondContact O-ND1 2.94Å; D82-H86 IonicContact OD1-CE1 2.77Å; D82-H86 PolarHBondContact OD1-CE1 3.03Å; D82-H86 IonicContact OD1-ND1 3.25Å; D82-H86 PolarHBondContact OD1-ND1 3.08Å; D82-H86 IonicContact OD2-CE1 3.1Å; D82-H86 IonicContact OD2-ND1 3.4Å; D82-H86 PolarHBondContact OD2-ND1 3.46Å
83S75.5Confident73.9Confident68 Ų68102 Ų10248%0.47658%0.579SS.*Hα-helixtrans-63.3-35.7173.9-56.70000112.5I79 L81 H87I79-S83 WeakPolarHBondContact O-CB 3.02Å; I79-S83 PolarHBondContact O-N 3.46Å; I79-S83 PolarHBondContact O-OG 3.34Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.4Å; S83-H87 PolarHBondContact O-CD2 3.34Å; S83-H87 PolarHBondContact O-N 3.45Å
84S67.5Low71.3Confident66 Ų66107 Ų10746%0.46261%0.605SS.*Hα-helixtrans-72.5-30.4178.576.90000113.2A80 L81 D82A80-S84 PolarHBondContact O-N 3.41Å; L81-S84 WeakPolarHBondContact O-CB 3.14Å; L81-S84 PolarHBondContact O-N 3.26Å; L81-S84 PolarHBondContact O-OG 3.4Å; D82-S84 VanDerWaalsContact C-N 3.3Å; D82-S84 PolarHBondContact O-N 3.4Å
85L60.6Low69.1Low142 Ų142109.1 Ų109.174%0.74363%0.626SS**Hα-helixtrans-82.1-23.8176.4-61.7-171.6000112.8L81 D82L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 2.79Å; D82-L85 PolarHBondContact O-N 2.85Å
86H56.9Low66.9Low132 Ų132109 Ų10961%0.61164%0.637SS**SBendtrans-87.60.8176.9-76.998.5000114.7D82 P88D82-H86 WeakPolarHBondContact O-CB 3.34Å; D82-H86 PolarHBondContact O-N 2.87Å; D82-H86 PolarHBondContact O-ND1 2.94Å; D82-H86 IonicContact OD1-CE1 2.77Å; D82-H86 PolarHBondContact OD1-CE1 3.03Å; D82-H86 IonicContact OD1-ND1 3.25Å; D82-H86 PolarHBondContact OD1-ND1 3.08Å; D82-H86 IonicContact OD2-CE1 3.1Å; D82-H86 IonicContact OD2-ND1 3.4Å; D82-H86 PolarHBondContact OD2-ND1 3.46Å; H86-P88 WeakPolarHBondContact O-CD 3.28Å; H86-P88 VanDerWaalsContact O-N 3.11Å
87H49.4Very low65Low149 Ų149110 Ų11069%0.6965%0.652SS**SBendtrans-66.6107.3157.8-83.3-77000107.3S83 A89S83-H87 PolarHBondContact O-CD2 3.34Å; S83-H87 PolarHBondContact O-N 3.45Å; H87-A89 PolarHBondContact O-N 3.38Å
88P47.1Very low63.2Low105 Ų105117.5 Ų117.568%0.68268%0.676SS**  trans-63.8117.7165.310.36.5000103.4H86 A90H86-P88 WeakPolarHBondContact O-CD 3.28Å; H86-P88 VanDerWaalsContact O-N 3.11Å; P88-A90 PolarHBondContact O-N 3.36Å
89A48.7Very low61.4Low86 Ų86118.6 Ų118.671%0.71169%0.691SS**  trans-47.7102.6145.400000104.4H87 R91H87-A89 PolarHBondContact O-N 3.38Å; A89-R91 PolarHBondContact O-N 3.27Å
90A47.2Very low59.7Low94 Ų94117.9 Ų117.978%0.77769%0.693SS**  trans-65.283.6-177.300000106.5P88 P92P88-A90 PolarHBondContact O-N 3.36Å; A90-P92 WeakPolarHBondContact O-CD 3.49Å
91R48.3Very low57.7Low214 Ų214122.6 Ų122.681%0.80871%0.708SS**  trans-78113159.6-70.9-174.673.3154.32.2104.5A89 G93A89-R91 PolarHBondContact O-N 3.27Å; R91-G93 PolarHBondContact O-N 3.35Å
92P43.1Very low56Low133 Ų133122 Ų12286%0.86471%0.709SS**SBendtrans-70.3118.7173.128.4-26.6000106.9A90A90-P92 WeakPolarHBondContact O-CD 3.49Å
93G49.5Very low54.5Low60 Ų60121.2 Ų121.262%0.61972%0.715SS**  trans100.587167.300000115R91R91-G93 PolarHBondContact O-N 3.35Å
94Q45.2Very low53.7Low181 Ų181124.1 Ų124.185%0.84672%0.724SS**  trans-165.395.7135.8-106.615877.500110.2A96Q94-A96 PolarHBondContact O-N 3.29Å; Q94-A96 VanDerWaalsContact O-N 3.16Å
95S52.5Low53.2Low127 Ų127126 Ų12689%0.88873%0.729SS**  trans-65.199.515949.60000109
96A50.9Low53.2Low80 Ų80123 Ų12366%0.66172%0.717SS**  trans-10997.9162.500000107.9Q94 R98Q94-A96 PolarHBondContact O-N 3.29Å; Q94-A96 VanDerWaalsContact O-N 3.16Å; A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.78Å
97S55.5Low53.1Low124 Ų124121.3 Ų121.387%0.86771%0.713SS**  trans-51.993.616544.10000110
98R60.1Low53.6Low229 Ų229120 Ų12086%0.86471%0.709SS**  trans-95.6112.6165.7-74.6-170.8153.1-162.5-6.7107.8A96A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.78Å
99T58.3Low53.9Low138 Ų138118.9 Ų118.985%0.84770%0.704SS**  trans-57.6129.116826.40000109.4
100P58.5Low54.4Low90 Ų90120.4 Ų120.458%0.58470%0.699SS**  trans-73.3141.6-178.328.7-33.4000111.1T102 A103P100-T102 PolarHBondContact O-N 3.23Å; P100-A103 PolarHBondContact O-N 3.11Å
101L52.7Low54.7Low162 Ų162123.1 Ų123.185%0.84870%0.7SS**THydrogen-bonded Turntrans-56.3-7.7176.7-79.4159.8000114.3A103L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.84Å
102T60.3Low55Low94 Ų94117.8 Ų117.858%0.57770%0.695SS**THydrogen-bonded Turntrans-62.2-28.9179.3-33.60000113.5P100 L104 N105P100-T102 PolarHBondContact O-N 3.23Å; T102-L104 VanDerWaalsContact C-N 3.33Å; T102-L104 PolarHBondContact O-N 3.44Å; T102-N105 PolarHBondContact O-N 2.75Å
103A56.4Low55.4Low71 Ų71118.6 Ų118.659%0.58769%0.692SS**Hα-helixtrans-62.5-35.2-176.300000113.5P100 L101P100-A103 PolarHBondContact O-N 3.11Å; L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.84Å
104L59.1Low55.3Low129 Ų129124.4 Ų124.468%0.67570%0.703SS**Hα-helixtrans-84.5-11.6-179.3-62.3-177.8000113.7T102T102-L104 VanDerWaalsContact C-N 3.33Å; T102-L104 PolarHBondContact O-N 3.44Å
105N57.6Low55Low106 Ų106121.7 Ų121.757%0.56770%0.704SS**Hα-helixtrans-84.6-26.5179.7-158.16.5000111.7T102 D107 I108T102-N105 PolarHBondContact O-N 2.75Å; N105-D107 VanDerWaalsContact C-N 3.33Å; N105-D107 PolarHBondContact O-N 2.76Å; N105-I108 PolarHBondContact O-N 3.14Å
106T60.6Low54.6Low80 Ų80121 Ų12149%0.49170%0.696SS.*Hα-helixtrans-66.2-34.8177.7-52.60000112.3I108 S109 I110T106-I108 VanDerWaalsContact C-N 3.29Å; T106-I108 PolarHBondContact O-N 3.08Å; T106-S109 PolarHBondContact O-N 2.93Å; T106-I110 HydrophobicContact CG2-CG1 4.36Å; T106-I110 VanDerWaalsContact O-CG1 3.31Å; T106-I110 WeakPolarHBondContact O-CG1 3.14Å; T106-I110 PolarHBondContact O-N 3.19Å
107D55Low53.9Low96 Ų96126 Ų12651%0.51371%0.706SS.*Hα-helixtrans-66.3-30-178.5-64.5-39.8000112.9N105 I110 L111N105-D107 VanDerWaalsContact C-N 3.33Å; N105-D107 PolarHBondContact O-N 2.76Å; D107-I110 PolarHBondContact O-N 3.38Å; D107-L111 PolarHBondContact O-N 3.19Å
108I58.1Low53.1Low121 Ų121129.1 Ų129.162%0.62170%0.704SS**Hα-helixtrans-68.5-37.7177.6-61.7179.5000111N105 T106N105-I108 PolarHBondContact O-N 3.14Å; T106-I108 VanDerWaalsContact C-N 3.29Å; T106-I108 PolarHBondContact O-N 3.08Å
109S55.3Low52.2Low82 Ų82124.1 Ų124.157%0.57370%0.701SS**Hα-helixtrans-74-29.5177.7-72.60000113.4T106T106-S109 PolarHBondContact O-N 2.93Å
110I58.5Low51.6Low117 Ų117122.6 Ų122.660%0.670%0.696SS**Hα-helixtrans-72.8-34-177.7-64.6-79.6000111.6T106 D107 S112T106-I110 HydrophobicContact CG2-CG1 4.36Å; T106-I110 VanDerWaalsContact O-CG1 3.31Å; T106-I110 WeakPolarHBondContact O-CG1 3.14Å; T106-I110 PolarHBondContact O-N 3.19Å; D107-I110 PolarHBondContact O-N 3.38Å; I110-S112 PolarHBondContact O-N 2.62Å
111L53.6Low50.6Low151 Ų151126.9 Ų126.979%0.79171%0.709SS**THydrogen-bonded Turntrans-68.9-18.6179.2-72.8163.4000113.9D107D107-L111 PolarHBondContact O-N 3.19Å
112S53.3Low49.9Very low102 Ų102125.1 Ų125.171%0.71370%0.699SS**THydrogen-bonded Turntrans-87.2-3.7-174.8-167.30000114.5I110I110-S112 PolarHBondContact O-N 2.62Å
113L52.3Low49Very low151 Ų151130.7 Ų130.779%0.79171%0.71SS**  trans-110.464.3-177.5-68.2170.8000111
114Q47.8Very low48.4Very low182 Ų182133.4 Ų133.485%0.8572%0.719SS**  trans-142.671.2165.4-154.3148.2-2.700111.8
115S38.2Very low47.5Very low124 Ų124133.2 Ų133.287%0.86772%0.719SS**  trans-120.2115.6150.6-87.20000107.9
116P44.1Very low47Very low113 Ų113135.9 Ų135.973%0.73473%0.733SS**  trans-85.2136.8175.632.6-29.8000111.4
117E36.3Very low46.5Very low185 Ų185135.3 Ų135.386%0.86473%0.733SS**  trans70.1101.5137.9-138.714895.700119.8
118F39.1Very low46Very low189 Ų189141.2 Ų141.283%0.82975%0.747SS**  trans-70.3155.9152.6-95.8-90.4000110.2
119P42.2Very low45.5Very low123 Ų123141 Ų14180%0.79975%0.752SS**  -126.6133.9124.56.214.5000113
120S44Very low45.1Very low107 Ų107145.9 Ų145.975%0.74877%0.771SS**  trans-62.6137.1164.2-53.30000111.5
121E37.5Very low44.4Very low180 Ų180151.4 Ų151.484%0.84178%0.784SS**  trans175.6141.4155.7-83.7-131.3103.600104.6
122L38.6Very low43.9Very low124 Ų124158.9 Ų158.965%0.64980%0.802SS**  cis179.2135.810.3173.495.4000104.3
123R40.8Very low43.5Very low211 Ų211161.7 Ų161.780%0.79681%0.806SS**  trans66.1126.8152.4-75.1168.694.6158.510.8121.7
124T45.5Very low43Very low128 Ų128162.3 Ų162.379%0.78581%0.807SS**  12.7117.9121.4-58.80000116.6
125D39.8Very low42.7Very low126 Ų126161.2 Ų161.267%0.67480%0.804SS**  -165.8127119.8-163.9-116.5000111.2S127D125-S127 WeakPolarHBondContact OD1-CB 3.44Å; D125-S127 PolarHBondContact OD1-OG 3.28Å
126D47.1Very low43Very low161 Ų161163.4 Ų163.486%0.86180%0.801SS**  trans-85.9103.3166.7-169.3-58.7000106.5
127S48.7Very low42.9Very low69 Ų69166.5 Ų166.548%0.48381%0.805SS.*  trans-166.3140.2161.260.90000115.3D125D125-S127 WeakPolarHBondContact OD1-CB 3.44Å; D125-S127 PolarHBondContact OD1-OG 3.28Å
128R44.9Very low43.4Very low219 Ų219165.3 Ų165.383%0.82680%0.801SS**  trans96.895.3147.3-72.2162.4-161.4-152.36.1119.8
129T48.3Very low43.7Very low116 Ų116163.6 Ų163.671%0.71280%0.799SS**  49.896.5114.757.20000117.2R131T129-R131 PolarHBondContact O-N 2.98Å
130L46.9Very low43.8Very low186 Ų186166.7 Ų166.797%0.97480%0.799SS**  trans-72.985.8152.6-139.889.4000108.3
131R43.1Very low43.8Very low232 Ų232171.7 Ų171.788%0.87580%0.803SS**  trans-85.7111.5150.9-77.4-155.5173.1-167.2-0.5106.9T129T129-R131 PolarHBondContact O-N 2.98Å
132R44.3Very low44.4Very low308 Ų308170.9 Ų170.9100%1.16280%0.8SS**  172.70119.1-165.3170.2-166146.60.8109.9

Retrieved 132 of 132 residues in 128.9 ms (Link to these results)