A0A077Z1N7_TRITR Loading...

Probable 39S ribosomal protein L35, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z1N7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 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
1M45.6Very low47.4Very low227 Ų227166.5 Ų166.5100%1.11883%0.829SS**  0300-58.3-63-150.100112.6
2S40.3Very low46.6Very low102 Ų102168.8 Ų168.871%0.71383%0.831SS**  47.2122.759.279.50000115.4
3V56.8Low46Very low132 Ų132171.5 Ų171.580%0.884%0.835SS**SBendtrans86.1-19.5152.5-1120000124.7
4L48.4Very low45.3Very low155 Ų155176.5 Ų176.581%0.81284%0.841SS**SBendtrans-100.9-32.8-172.9-87.8160.4000117.3A6L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 2.66Å
5F47.2Very low44.7Very low196 Ų196178.8 Ų178.886%0.8685%0.847SS**G310 helixtrans-79.5-11.9-177.2-107-91000114.9K7F5-K7 VanDerWaalsContact C-N 3.29Å; F5-K7 PolarHBondContact O-N 3.34Å
6A54.5Low44.4Very low83 Ų83173.7 Ų173.769%0.68684%0.836SS**G310 helixtrans-80.5-4.7179.500000114.1L4L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 2.66Å
7K51.7Low44Very low176 Ų176172.9 Ų172.977%0.76584%0.836SS**G310 helixtrans-98.3-9.1-176.9-139.4166.1-175.5177.60114.3F5F5-K7 VanDerWaalsContact C-N 3.29Å; F5-K7 PolarHBondContact O-N 3.34Å
8L43.7Very low43.7Very low158 Ų158172 Ų17283%0.82784%0.835SS**THydrogen-bonded Turntrans-94.72.7180-137.786.2000114.8
9R45.7Very low43.3Very low238 Ų238175.5 Ų175.590%0.89884%0.839SS**THydrogen-bonded Turntrans-96.98.2178.4-106.2-178.3169.4-171.8-2.9114.7
10K46.6Very low43.2Very low177 Ų177174 Ų17477%0.7783%0.834SS**SBendtrans-101.28.2-176.8-70.3-173.1177.3-177.40115.3
11H40.5Very low43Very low187 Ų187169.9 Ų169.987%0.86682%0.824SS**SBendtrans-124.115.2-176-89-15.4000116.8
12F38.7Very low43.1Very low195 Ų195165 Ų16586%0.85581%0.806SS**SBendtrans-112.26.6-178.1-119.4-89.3000116.6
13F38.5Very low43.3Very low203 Ų203165 Ų16589%0.8979%0.791SS**SBendtrans-142.470-176.8-98.6-90.6000111.9
14R36.7Very low42.6Very low242 Ų242168.2 Ų168.291%0.91379%0.794SS**  trans-155.739.1162.3-117.7178.5-177.7-167.40.3112.7S16R14-S16 PolarHBondContact O-N 2.82Å; R14-S16 VanDerWaalsContact O-N 3.08Å
15F36.3Very low42.4Very low211 Ų211167.4 Ų167.493%0.92579%0.785SS**  trans-74.391.4147.4-98.7-87.8000105.8L17F15-L17 PolarHBondContact O-N 3.42Å
16S39.8Very low42.5Very low97 Ų97161 Ų16168%0.67877%0.769SS**  trans-52.1111.4163.153.60000106.2R14 L18R14-S16 PolarHBondContact O-N 2.82Å; R14-S16 VanDerWaalsContact O-N 3.08Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.73Å
17L37.5Very low42.3Very low160 Ų160168.7 Ų168.784%0.83878%0.78SS**  trans-44.7106.3163.5-67.5162.5000105.5F15 R19F15-L17 PolarHBondContact O-N 3.42Å; L17-R19 PolarHBondContact O-N 3.04Å
18L38.9Very low42.5Very low157 Ų157162.5 Ų162.582%0.82276%0.755SS**  trans-53.798.2156.8-80.5164.1000102.9S16 I20S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.73Å; L18-I20 PolarHBondContact O-N 3.31Å
19R35.4Very low43.2Very low238 Ų238156.9 Ų156.990%0.89873%0.728SS**  trans-61.586.1166.7-93.7-175.8172.1-175.6-0.4103.9L17 S21L17-R19 PolarHBondContact O-N 3.04Å; R19-S21 PolarHBondContact O-N 2.72Å
20I40.9Very low43.7Very low146 Ų146152.3 Ų152.375%0.74972%0.717SS**  trans-59.199.3153.7-60.6166.8000102L18 V22L18-I20 PolarHBondContact O-N 3.31Å; I20-V22 PolarHBondContact O-N 3.23Å
21S39Very low44.2Very low88 Ų88152.3 Ų152.362%0.61571%0.712SS**  trans-59.999.1168.9670000104.5R19 R23R19-S21 PolarHBondContact O-N 2.72Å; S21-R23 PolarHBondContact O-N 3Å
22V49.1Very low45.2Very low123 Ų123148 Ų14875%0.74569%0.692SS**  trans-57.799164175.30000103.4I20 K24I20-V22 PolarHBondContact O-N 3.23Å; V22-K24 VanDerWaalsContact C-N 3.26Å; V22-K24 PolarHBondContact O-N 3.38Å
23R42.9Very low46.2Very low104 Ų104147.9 Ų147.939%0.39269%0.687SS.*  trans-62.798179.5-72.8-173.7177-175.71.7104.8S21 H25 D52S21-R23 PolarHBondContact O-N 3Å; R23-H25 VanDerWaalsContact C-N 3.27Å; R23-H25 PolarHBondContact O-N 3.02Å; R23-H25 PolarHBondContact O-ND1 3.32Å; R23-H25 VanDerWaalsContact O-ND1 3.15Å; R23-D52 IonicContact NH1-OD1 3.96Å
24K42.2Very low47.6Very low198 Ų198144.6 Ų144.686%0.86168%0.675SS**  trans-53.9104.2165.8-64-171-178.2-176.20104.1V22 A26V22-K24 VanDerWaalsContact C-N 3.26Å; V22-K24 PolarHBondContact O-N 3.38Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 3.45Å
25H44.6Very low49.6Very low138 Ų138136.9 Ų136.964%0.63965%0.65SS**  trans-54.6110165.3-7136.5000102.9R23 R27R23-H25 VanDerWaalsContact C-N 3.27Å; R23-H25 PolarHBondContact O-N 3.02Å; R23-H25 PolarHBondContact O-ND1 3.32Å; R23-H25 VanDerWaalsContact O-ND1 3.15Å; H25-R27 PolarHBondContact O-N 3.44Å
26A48.5Very low51.7Low63 Ų63131.6 Ų131.652%0.52162%0.624SS.*  trans-55.7119.8168.900000103.7K24 I28K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 3.45Å; A26-I28 HydrophobicContact CB-CD1 4.3Å; A26-I28 HydrophobicContact CB-CG1 3.69Å; A26-I28 WeakPolarHBondContact O-CG1 3.28Å; A26-I28 PolarHBondContact O-N 3.17Å
27R52Low53.7Low244 Ų244133.1 Ų133.192%0.92162%0.619SS**  trans-66.876.3164.8-76.3-170.2-69.3170.6-2.8105.3H25 P29H25-R27 PolarHBondContact O-N 3.44Å; R27-P29 WeakPolarHBondContact O-CD 3.33Å
28I56.2Low55.8Low46 Ų46126.2 Ų126.224%0.23658%0.584CS.*  trans-68.7119.4177.3-58.3157.7000103.4A26 H30 E32A26-I28 HydrophobicContact CB-CD1 4.3Å; A26-I28 HydrophobicContact CB-CG1 3.69Å; A26-I28 WeakPolarHBondContact O-CG1 3.28Å; A26-I28 PolarHBondContact O-N 3.17Å; I28-H30 PolarHBondContact O-N 3.44Å; I28-E32 HydrophobicContact CG2-CB 4.07Å
29P56.6Low57.9Low40 Ų40125 Ų12526%0.2659%0.586SS.*  trans-57.8135.8176.121.4-28.2000108.8R27 W31 E32R27-P29 WeakPolarHBondContact O-CD 3.33Å; P29-W31 HydrophobicContact CB-CD2 3.51Å; P29-W31 HydrophobicContact CB-CE3 3.78Å; P29-W31 HydrophobicContact CB-CG 4.2Å; P29-W31 HydrophobicContact CB-CH2 3.52Å; P29-W31 HydrophobicContact CB-CZ2 3.22Å; P29-W31 HydrophobicContact CB-CZ3 3.78Å; P29-W31 HydrophobicContact CG-CD2 4.39Å; P29-W31 HydrophobicContact CG-CZ2 3.94Å; P29-W31 PolarHBondContact O-N 2.82Å; P29-E32 HydrophobicContact CG-CB 4.19Å; P29-E32 PolarHBondContact O-N 2.68Å
30H57.1Low60.2Low141 Ų141122 Ų12265%0.65358%0.582SS**THydrogen-bonded Turntrans-61.4-11.1-172.470.574.2000113.7I28 Y33I28-H30 PolarHBondContact O-N 3.44Å; H30-Y33 WeakPolarHBondContact O-CE2 3.39Å; H30-Y33 PolarHBondContact O-OH 3.11Å
31W57.7Low62Low178 Ų178118.9 Ų118.967%0.67457%0.567SS**THydrogen-bonded Turntrans-86.5-11.7176.85782.4000113.9P29 Y33P29-W31 HydrophobicContact CB-CD2 3.51Å; P29-W31 HydrophobicContact CB-CE3 3.78Å; P29-W31 HydrophobicContact CB-CG 4.2Å; P29-W31 HydrophobicContact CB-CH2 3.52Å; P29-W31 HydrophobicContact CB-CZ2 3.22Å; P29-W31 HydrophobicContact CB-CZ3 3.78Å; P29-W31 HydrophobicContact CG-CD2 4.39Å; P29-W31 HydrophobicContact CG-CZ2 3.94Å; P29-W31 PolarHBondContact O-N 2.82Å; W31-Y33 VanDerWaalsContact C-N 3.32Å; W31-Y33 WeakPolarHBondContact O-CD2 3.4Å; W31-Y33 PolarHBondContact O-N 3.47Å
32E59.9Low64.1Low95 Ų95117.1 Ų117.144%0.44456%0.563SS.*  trans-84.675.4-178.6-158.3173.4-175.700110.9I28 P29 H34I28-E32 HydrophobicContact CG2-CB 4.07Å; P29-E32 HydrophobicContact CG-CB 4.19Å; P29-E32 PolarHBondContact O-N 2.68Å; E32-H34 PolarHBondContact O-N 2.76Å; E32-H34 VanDerWaalsContact O-N 3.09Å
33Y60.2Low65.6Low194 Ų194115.3 Ų115.376%0.76154%0.543SS*.  trans-8240.5177.5-62-75000113H30 W31H30-Y33 WeakPolarHBondContact O-CE2 3.39Å; H30-Y33 PolarHBondContact O-OH 3.11Å; W31-Y33 VanDerWaalsContact C-N 3.32Å; W31-Y33 WeakPolarHBondContact O-CD2 3.4Å; W31-Y33 PolarHBondContact O-N 3.47Å
34H68.5Low67.5Low134 Ų134112.7 Ų112.762%0.6253%0.534SS*.PPolyproline II helixtrans-96.1132.8-174.5-64-93.9000112.1E32 R36E32-H34 PolarHBondContact O-N 2.76Å; E32-H34 VanDerWaalsContact O-N 3.09Å; H34-R36 PolarHBondContact O-N 2.91Å
35I78.5Confident69.5Low79 Ų79104.9 Ų104.941%0.40550%0.503SS..PPolyproline II helixtrans-65.6121.1164.7-62.5171.6000107.1F37 K44I35-F37 HydrophobicContact CB-CE2 4.32Å; I35-F37 HydrophobicContact CG2-CE2 3.83Å; I35-F37 HydrophobicContact CG2-CZ 3.92Å; I35-K44 HydrophobicContact CG2-CD 3.98Å; I35-K44 HydrophobicContact CG2-CG 3.89Å
36R79.7Confident71.4Confident100 Ų10098.7 Ų98.738%0.37748%0.475SS..EExtended strand (participates in β ladder)trans-85.3143.4-177.7-64.5-176.5-176166.63.7111.2H34 K44 V45H34-R36 PolarHBondContact O-N 2.91Å; R36-K44 CarbonylContact O-C 3.58Å; R36-K44 WeakPolarHBondContact O-CA 3.25Å; R36-V45 HydrophobicContact CB-CB 4.04Å; R36-V45 PolarHBondContact O-N 3.35Å
37F82.6Confident73.2Confident129 Ų12997 Ų9757%0.56646%0.459SS*.EExtended strand (participates in β ladder)trans-123143.3170.3-64.4-88.8000109.1I35 G42 R43 K44I35-F37 HydrophobicContact CB-CE2 4.32Å; I35-F37 HydrophobicContact CG2-CE2 3.83Å; I35-F37 HydrophobicContact CG2-CZ 3.92Å; F37-G42 WeakPolarHBondContact CD1-O 3.3Å; F37-R43 CarbonylContact C-O 3.51Å; F37-R43 VanDerWaalsContact CA-O 3.28Å; F37-R43 WeakPolarHBondContact CA-O 3.05Å; F37-K44 HydrophobicContact CD1-CB 4.26Å; F37-K44 HydrophobicContact CE1-CB 4.06Å
38S80.9Confident74.7Confident16 Ų1690 Ų9011%0.11244%0.435CS..  trans-67.8131.1172.6-178.80000108.4E40 G42 R43S38-E40 PolarHBondContact O-N 3.12Å; S38-G42 WeakPolarHBondContact O-CA 3.13Å; S38-G42 PolarHBondContact O-N 3.4Å; S38-R43 PolarHBondContact N-O 3.03Å
39P82.6Confident76.2Confident131 Ų13190.2 Ų90.285%0.85144%0.437SS*.THydrogen-bonded Turntrans-67.9-26.2176.627.7-33.8000112.4
40E83.6Confident77.8Confident175 Ų17588.6 Ų88.682%0.81843%0.426SS*.THydrogen-bonded Turntrans-80.1-51.8-178.5-63175.9-179.900111.3S38S38-E40 PolarHBondContact O-N 3.12Å
41D80.1Confident79.4Confident80 Ų8083.7 Ų83.743%0.42841%0.405SS..THydrogen-bonded Turntrans-94.7-14.9-174-56.9-64.2000113.7R43 S149D41-R43 HydrophobicContact CB-CB 4.08Å; D41-R43 HydrophobicContact CB-CG 3.76Å; D41-R43 PolarHBondContact O-N 3.13Å; D41-S149 WeakPolarHBondContact OD2-CB 3.37Å
42G81.7Confident80.9Confident52 Ų5279.8 Ų79.854%0.53640%0.397SS..  trans646.4-16800000114F37 S38F37-G42 WeakPolarHBondContact CD1-O 3.3Å; S38-G42 WeakPolarHBondContact O-CA 3.13Å; S38-G42 PolarHBondContact O-N 3.4Å
43R81Confident82.5Confident85 Ų8583.2 Ų83.232%0.32141%0.406SS..PPolyproline II helixtrans-83.6150.4-176.6-63.6-177.9-165.8-173.93.9111.3F37 S38 D41 V45 E147F37-R43 CarbonylContact C-O 3.51Å; F37-R43 VanDerWaalsContact CA-O 3.28Å; F37-R43 WeakPolarHBondContact CA-O 3.05Å; S38-R43 PolarHBondContact N-O 3.03Å; D41-R43 HydrophobicContact CB-CB 4.08Å; D41-R43 HydrophobicContact CB-CG 3.76Å; D41-R43 PolarHBondContact O-N 3.13Å; R43-V45 PolarHBondContact O-N 2.82Å; R43-E147 WeakPolarHBondContact CD-O 3.25Å; R43-E147 PolarHBondContact NH1-O 3.06Å
44K82.6Confident84.1Confident48 Ų4876.4 Ų76.421%0.20938%0.38CS..EExtended strand (participates in β ladder)trans-64127.6177.7-178.8178.6174.3-168.20110.6I35 R36 F37 K100 V102I35-K44 HydrophobicContact CG2-CD 3.98Å; I35-K44 HydrophobicContact CG2-CG 3.89Å; R36-K44 CarbonylContact O-C 3.58Å; R36-K44 WeakPolarHBondContact O-CA 3.25Å; F37-K44 HydrophobicContact CD1-CB 4.26Å; F37-K44 HydrophobicContact CE1-CB 4.06Å; K44-K100 WeakPolarHBondContact CE-O 3.46Å; K44-K100 VanDerWaalsContact NZ-C 3.3Å; K44-K100 PolarHBondContact NZ-O 3.43Å; K44-V102 PolarHBondContact NZ-O 3.18Å
45V84.1Confident85.3Confident35 Ų3573.8 Ų73.821%0.21237%0.367CS..EExtended strand (participates in β ladder)trans-94.2124174177.30000108.4R36 R43R36-V45 HydrophobicContact CB-CB 4.04Å; R36-V45 PolarHBondContact O-N 3.35Å; R43-V45 PolarHBondContact O-N 2.82Å
46P85.5Confident86Confident7 Ų772 Ų725%0.04536%0.355CS..PPolyproline II helixtrans-66.5145178.730.1-37.1000111.2K48 L51 E148P46-K48 PolarHBondContact O-N 3.06Å; P46-L51 HydrophobicContact CB-CD1 4.16Å; P46-L51 HydrophobicContact CG-CD1 4.21Å; P46-E148 WeakPolarHBondContact CG-OE2 3.46Å
47C85.9Confident86.6Confident29 Ų2967.5 Ų67.520%0.19634%0.338CS..  trans-68.2113171.1-173.50000110.3D49 V50 L51 L101C47-D49 VanDerWaalsContact C-N 3.29Å; C47-D49 PolarHBondContact O-N 3.37Å; C47-V50 HydrophobicContact CB-CB 4.4Å; C47-V50 HydrophobicContact CB-CG2 3.91Å; C47-V50 WeakPolarHBondContact O-CB 3.34Å; C47-V50 PolarHBondContact O-N 3.08Å; C47-V50 VanDerWaalsContact O-N 3.12Å; C47-L51 PolarHBondContact O-N 3.45Å; C47-L101 HydrophobicContact CB-CB 4.11Å; C47-L101 PolarHBondContact N-O 3.2Å
48K83.4Confident86.8Confident97 Ų9763.9 Ų63.942%0.42233%0.325SS..Hα-helixtrans-60.7-37.1-178.8-67.3-175.5179.6-179.20112.4P46 V50 L51 D52P46-K48 PolarHBondContact O-N 3.06Å; K48-V50 PolarHBondContact O-N 3.01Å; K48-L51 PolarHBondContact O-N 3.03Å; K48-D52 PolarHBondContact O-N 3.43Å
49D88Confident87Confident49 Ų4964.7 Ų64.726%0.26233%0.33SS..Hα-helixtrans-59.8-31.6177.4-67.5-48.5000112.8C47 R53C47-D49 VanDerWaalsContact C-N 3.29Å; C47-D49 PolarHBondContact O-N 3.37Å; D49-R53 WeakPolarHBondContact O-CB 3.31Å; D49-R53 VanDerWaalsContact O-CG 3.25Å; D49-R53 WeakPolarHBondContact O-CG 3.09Å; D49-R53 PolarHBondContact O-N 3.22Å
50V91Very high87.3Confident6 Ų659.4 Ų59.44%0.03630%0.298CS..Hα-helixtrans-69.6-46.1175.8175.40000110.4C47 K48 D52 R53 F54 W62 L98 L101 V102C47-V50 HydrophobicContact CB-CB 4.4Å; C47-V50 HydrophobicContact CB-CG2 3.91Å; C47-V50 WeakPolarHBondContact O-CB 3.34Å; C47-V50 PolarHBondContact O-N 3.08Å; C47-V50 VanDerWaalsContact O-N 3.12Å; K48-V50 PolarHBondContact O-N 3.01Å; V50-D52 VanDerWaalsContact C-N 3.3Å; V50-D52 PolarHBondContact O-N 3.12Å; V50-R53 PolarHBondContact O-N 3.33Å; V50-F54 HydrophobicContact CG1-CD2 4.27Å; V50-F54 WeakPolarHBondContact O-CB 3.46Å; V50-F54 PolarHBondContact O-N 3.35Å; V50-W62 HydrophobicContact CG1-CH2 3.99Å; V50-W62 HydrophobicContact CG1-CZ3 3.99Å; V50-L98 HydrophobicContact CB-CD2 4.37Å; V50-L98 HydrophobicContact CG1-CB 4.49Å; V50-L98 HydrophobicContact CG1-CD2 3.69Å; V50-L98 HydrophobicContact CG2-CD2 3.78Å; V50-L101 HydrophobicContact CG2-CB 4.13Å; V50-L101 HydrophobicContact CG2-CD1 3.84Å; V50-V102 HydrophobicContact CB-CG2 3.91Å; V50-V102 HydrophobicContact CG1-CG2 3.42Å; V50-V102 VanDerWaalsContact CG1-CG2 3.42Å
51L89.1Confident87.6Confident39 Ų3953.4 Ų53.420%0.20427%0.271CS..Hα-helixtrans-64.7-35.5-179.6-61.3177.3000112.3P46 C47 K48 V102 W106P46-L51 HydrophobicContact CB-CD1 4.16Å; P46-L51 HydrophobicContact CG-CD1 4.21Å; C47-L51 PolarHBondContact O-N 3.45Å; K48-L51 PolarHBondContact O-N 3.03Å; L51-V102 HydrophobicContact CD2-CG1 4.14Å; L51-V102 HydrophobicContact CD2-CG2 4.42Å; L51-W106 HydrophobicContact CD1-CD2 4.16Å; L51-W106 HydrophobicContact CD1-CH2 4.2Å; L51-W106 HydrophobicContact CD1-CZ2 3.66Å; L51-W106 HydrophobicContact CD2-CB 4.36Å; L51-W106 HydrophobicContact CD2-CD2 3.53Å; L51-W106 HydrophobicContact CD2-CE3 3.81Å; L51-W106 HydrophobicContact CD2-CG 3.76Å; L51-W106 HydrophobicContact CD2-CZ2 4.49Å; L51-W106 HydrophobicContact CD2-CZ3 4.4Å
52D89.9Confident88.3Confident95 Ų9549.8 Ų49.851%0.50825%0.251SS..Hα-helixtrans-77.5-27.5-178-66.9-18.3000112.5R23 K48 V50R23-D52 IonicContact NH1-OD1 3.96Å; K48-D52 PolarHBondContact O-N 3.43Å; V50-D52 VanDerWaalsContact C-N 3.3Å; V50-D52 PolarHBondContact O-N 3.12Å
53R92.8Very high88.9Confident167 Ų16748.1 Ų48.163%0.6323%0.23SC*.Hα-helixtrans-106.2-27.7-172.6-62.4177.7-168.9-147.15114.8D49 V50D49-R53 WeakPolarHBondContact O-CB 3.31Å; D49-R53 VanDerWaalsContact O-CG 3.25Å; D49-R53 WeakPolarHBondContact O-CG 3.09Å; D49-R53 PolarHBondContact O-N 3.22Å; V50-R53 PolarHBondContact O-N 3.33Å
54F95.1Very high89.6Confident52 Ų5247.4 Ų47.423%0.22823%0.228CC..EExtended strand (participates in β ladder)trans-121.2140.7-172.8-57.8-97.7000111.1V50 W62 I63 R64 L98V50-F54 HydrophobicContact CG1-CD2 4.27Å; V50-F54 WeakPolarHBondContact O-CB 3.46Å; V50-F54 PolarHBondContact O-N 3.35Å; F54-W62 HydrophobicContact CB-CE3 3.56Å; F54-W62 HydrophobicContact CB-CZ3 3.99Å; F54-I63 WeakPolarHBondContact CA-O 2.75Å; F54-R64 HydrophobicContact CD1-CB 3.72Å; F54-R64 HydrophobicContact CE1-CB 3.8Å; F54-R64 HydrophobicContact CE1-CG 4.4Å; F54-L98 HydrophobicContact CD1-CD1 3.94Å; F54-L98 HydrophobicContact CD2-CD2 4.21Å; F54-L98 HydrophobicContact CE1-CD1 4.18Å; F54-L98 HydrophobicContact CE2-CD2 4.18Å; F54-L98 HydrophobicContact CG-CD1 4.26Å; F54-L98 HydrophobicContact CG-CD2 4.48Å; F54-L98 HydrophobicContact CZ-CD2 4.41Å
55K93.6Very high90.2Very high79 Ų7946.6 Ų46.634%0.34323%0.229SC..EExtended strand (participates in β ladder)trans-104.6130.2172.1175.573.4173.7-166.80109.3W62 I63 D115K55-W62 WeakPolarHBondContact O-CA 3.23Å; K55-I63 PolarHBondContact N-O 2.88Å; K55-I63 PolarHBondContact O-N 3.19Å; K55-D115 IonicContact NZ-OD2 3.74Å
56R92.6Very high90.7Very high41 Ų4146.6 Ų46.616%0.15523%0.229CC..EExtended strand (participates in β ladder)trans-88.3132.3173.9-178.359167.4-154.8-11.8110.2G60 M61 W62 D99R56-G60 VanDerWaalsContact CZ-CA 3.46Å; R56-G60 PolarHBondContact NH1-O 3.38Å; R56-M61 WeakPolarHBondContact CD-O 3.08Å; R56-W62 HydrophobicContact CB-CD2 4.27Å; R56-W62 HydrophobicContact CB-CE3 3.9Å; R56-W62 HydrophobicContact CB-CH2 3.85Å; R56-W62 HydrophobicContact CB-CZ2 4.2Å; R56-W62 HydrophobicContact CB-CZ3 3.71Å; R56-W62 HydrophobicContact CG-CH2 4.41Å; R56-W62 HydrophobicContact CG-CZ2 4.31Å; R56-D99 IonicContact CZ-OD1 3.08Å; R56-D99 IonicContact CZ-OD2 3.43Å; R56-D99 VanDerWaalsContact NH1-CG 3.32Å; R56-D99 IonicContact NH1-OD1 2.67Å; R56-D99 PolarHBondContact NH1-OD1 3.31Å; R56-D99 IonicContact NH1-OD2 3.17Å; R56-D99 PolarHBondContact NH1-OD2 3.44Å; R56-D99 VanDerWaalsContact NH1-OD2 3.17Å; R56-D99 VanDerWaalsContact NH2-CG 3.34Å; R56-D99 IonicContact NH2-OD1 3.18Å; R56-D99 PolarHBondContact NH2-OD1 3.33Å; R56-D99 IonicContact NH2-OD2 2.82Å; R56-D99 PolarHBondContact NH2-OD2 2.63Å
57L91.8Very high91.1Very high5 Ų551.4 Ų51.43%0.02626%0.26CS..  trans-97158167.2-55.299.6000111.7T59 G60 M61 I63 Y120L57-T59 PolarHBondContact O-N 3.1Å; L57-G60 PolarHBondContact O-N 2.82Å; L57-M61 HydrophobicContact CD1-CB 3.89Å; L57-M61 WeakPolarHBondContact CD1-O 3.07Å; L57-M61 PolarHBondContact N-O 2.8Å; L57-I63 HydrophobicContact CD1-CB 4.36Å; L57-I63 HydrophobicContact CD1-CD1 3.3Å; L57-I63 HydrophobicContact CD1-CG1 3.45Å; L57-I63 VanDerWaalsContact CD1-CG1 3.45Å; L57-I63 HydrophobicContact CD2-CD1 3.77Å; L57-I63 HydrophobicContact CG-CD1 3.88Å; L57-Y120 VanDerWaalsContact CD2-CB 3.43Å; L57-Y120 WeakPolarHBondContact CD2-O 3.22Å
58N88.5Confident91.5Very high53 Ų5351.6 Ų51.628%0.28327%0.266SS..THydrogen-bonded Turntrans-63.7-25.5179.3-62.6-14.1000112.6G60 P109 K110 N121N58-G60 PolarHBondContact O-N 3.47Å; N58-G60 VanDerWaalsContact O-N 3.13Å; N58-P109 HydrophobicContact CB-CB 4.37Å; N58-P109 VanDerWaalsContact OD1-CA 3.28Å; N58-P109 WeakPolarHBondContact OD1-CA 3.41Å; N58-K110 PolarHBondContact ND2-O 3.07Å; N58-K110 PolarHBondContact OD1-N 3.26Å; N58-N121 HydrophobicContact CB-CB 3.9Å; N58-N121 PolarHBondContact N-OD1 2.89Å; N58-N121 VanDerWaalsContact N-OD1 3.12Å
59T85.1Confident91.9Very high34 Ų3450.9 Ų50.921%0.20926%0.261CS..THydrogen-bonded Turntrans-65.1-12.4174.465.80000114L57 M61 Y120 N121 R123L57-T59 PolarHBondContact O-N 3.1Å; T59-M61 HydrophobicContact CG2-CE 4.23Å; T59-M61 VanDerWaalsContact OG1-CE 3.23Å; T59-M61 WeakPolarHBondContact OG1-CE 3.48Å; T59-M61 PolarHBondContact OG1-N 3.11Å; T59-Y120 WeakPolarHBondContact CG2-O 3.35Å; T59-N121 WeakPolarHBondContact CG2-O 3.31Å; T59-N121 PolarHBondContact N-O 3.13Å; T59-R123 HydrophobicContact CG2-CG 3.58Å
60G87Confident92.2Very high19 Ų1954.2 Ų54.220%0.19628%0.279CS..SBendtrans88.515.1-172.700000114.7R56 L57 N58R56-G60 VanDerWaalsContact CZ-CA 3.46Å; R56-G60 PolarHBondContact NH1-O 3.38Å; L57-G60 PolarHBondContact O-N 2.82Å; N58-G60 PolarHBondContact O-N 3.47Å; N58-G60 VanDerWaalsContact O-N 3.13Å
61M90.8Very high92.4Very high50 Ų5057.8 Ų57.825%0.24630%0.3CS..  trans-94.2155.5174-66.2-173.8-75.300110.1R56 L57 T59 R123R56-M61 WeakPolarHBondContact CD-O 3.08Å; L57-M61 HydrophobicContact CD1-CB 3.89Å; L57-M61 WeakPolarHBondContact CD1-O 3.07Å; L57-M61 PolarHBondContact N-O 2.8Å; T59-M61 HydrophobicContact CG2-CE 4.23Å; T59-M61 VanDerWaalsContact OG1-CE 3.23Å; T59-M61 WeakPolarHBondContact OG1-CE 3.48Å; T59-M61 PolarHBondContact OG1-N 3.11Å; M61-R123 HydrophobicContact CE-CG 4.3Å; M61-R123 PolarHBondContact SD-NH2 3.31Å
62W94Very high92.7Very high3 Ų362.5 Ų62.51%0.01132%0.319CS..EExtended strand (participates in β ladder)trans-112.7136.8169.8-69.591.7000109.4V50 F54 K55 R56 T89 C90 L98 D99 V102V50-W62 HydrophobicContact CG1-CH2 3.99Å; V50-W62 HydrophobicContact CG1-CZ3 3.99Å; F54-W62 HydrophobicContact CB-CE3 3.56Å; F54-W62 HydrophobicContact CB-CZ3 3.99Å; K55-W62 WeakPolarHBondContact O-CA 3.23Å; R56-W62 HydrophobicContact CB-CD2 4.27Å; R56-W62 HydrophobicContact CB-CE3 3.9Å; R56-W62 HydrophobicContact CB-CH2 3.85Å; R56-W62 HydrophobicContact CB-CZ2 4.2Å; R56-W62 HydrophobicContact CB-CZ3 3.71Å; R56-W62 HydrophobicContact CG-CH2 4.41Å; R56-W62 HydrophobicContact CG-CZ2 4.31Å; W62-T89 WeakPolarHBondContact O-CA 3.4Å; W62-C90 HydrophobicContact CB-CB 4.04Å; W62-C90 PolarHBondContact O-N 2.81Å; W62-L98 HydrophobicContact CB-CD1 3.76Å; W62-L98 HydrophobicContact CD2-CB 4.08Å; W62-L98 HydrophobicContact CD2-CD1 3.79Å; W62-L98 HydrophobicContact CE3-CD1 4.4Å; W62-L98 HydrophobicContact CG-CB 4.29Å; W62-L98 HydrophobicContact CG-CD1 3.5Å; W62-L98 HydrophobicContact CZ2-CB 3.99Å; W62-D99 PolarHBondContact NE1-OD1 3.42Å; W62-V102 HydrophobicContact CH2-CB 4.37Å; W62-V102 HydrophobicContact CH2-CG1 4.48Å; W62-V102 HydrophobicContact CH2-CG2 3.88Å; W62-V102 HydrophobicContact CZ2-CB 4.48Å; W62-V102 HydrophobicContact CZ2-CG2 4.25Å
63I95.5Very high92.9Very high18 Ų1861.9 Ų61.99%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-107.2138.8172.7-71.5164.4000108.7F54 K55 L57 H87 T89 Y117F54-I63 WeakPolarHBondContact CA-O 2.75Å; K55-I63 PolarHBondContact N-O 2.88Å; K55-I63 PolarHBondContact O-N 3.19Å; L57-I63 HydrophobicContact CD1-CB 4.36Å; L57-I63 HydrophobicContact CD1-CD1 3.3Å; L57-I63 HydrophobicContact CD1-CG1 3.45Å; L57-I63 VanDerWaalsContact CD1-CG1 3.45Å; L57-I63 HydrophobicContact CD2-CD1 3.77Å; L57-I63 HydrophobicContact CG-CD1 3.88Å; I63-H87 HydrophobicContact CG2-CB 3.67Å; I63-T89 HydrophobicContact CG1-CG2 4.46Å; I63-Y117 HydrophobicContact CD1-CD1 4.06Å; I63-Y117 HydrophobicContact CD1-CE1 4.18Å
64R95.7Very high93Very high70 Ų7063 Ų6326%0.26432%0.315SS..EExtended strand (participates in β ladder)trans-128.2160.1171.161.5169.8-175.170.62.1111.3F54 N66 H87 V88F54-R64 HydrophobicContact CD1-CB 3.72Å; F54-R64 HydrophobicContact CE1-CB 3.8Å; F54-R64 HydrophobicContact CE1-CG 4.4Å; R64-N66 PolarHBondContact NH1-OD1 3.32Å; R64-H87 WeakPolarHBondContact O-CA 3.26Å; R64-H87 PolarHBondContact O-ND1 3.48Å; R64-V88 PolarHBondContact N-O 3.42Å; R64-V88 PolarHBondContact O-N 3.35Å
65A95.5Very high93Very high30 Ų3065.9 Ų65.925%0.24833%0.333CS..EExtended strand (participates in β ladder)trans-79.3157.2161.900000110.5R69A65-R69 VanDerWaalsContact CB-NH1 3.29Å
66N95Very high93.1Very high36 Ų3664.5 Ų64.519%0.19333%0.327CS..PPolyproline II helixtrans-70.4134.3168.6-77.1-30.9000110.7R64 S83 V88R64-N66 PolarHBondContact NH1-OD1 3.32Å; N66-S83 PolarHBondContact ND2-O 2.64Å; N66-S83 VanDerWaalsContact ND2-O 3.13Å; N66-V88 WeakPolarHBondContact OD1-CG2 3.12Å
67P93.4Very high93.3Very high108 Ų10868.3 Ų68.370%0.70135%0.35SS*.THydrogen-bonded Turntrans-63.8144.3179.227.9-34.2000110.3R69P67-R69 VanDerWaalsContact C-N 3.27Å; P67-R69 PolarHBondContact O-N 3.04Å
68G93.3Very high93.5Very high32 Ų3274.6 Ų74.633%0.3338%0.379SS..THydrogen-bonded Turntrans71.911.2176.300000115.8N70 T71 K76 W80G68-N70 PolarHBondContact O-N 3.03Å; G68-T71 WeakPolarHBondContact CA-OG1 3.4Å; G68-T71 PolarHBondContact O-N 3.18Å; G68-T71 PolarHBondContact O-OG1 3.1Å; G68-K76 PolarHBondContact O-NZ 3.18Å; G68-W80 WeakPolarHBondContact O-CH2 3.4Å
69R93.2Very high93.8Very high82 Ų8276.4 Ų76.431%0.30939%0.394SS..THydrogen-bonded Turntrans-53.5-28.317963.6169-174.6-163.41115.1A65 P67 R73 S84A65-R69 VanDerWaalsContact CB-NH1 3.29Å; P67-R69 VanDerWaalsContact C-N 3.27Å; P67-R69 PolarHBondContact O-N 3.04Å; R69-R73 PolarHBondContact O-NH1 3.45Å; R69-S84 VanDerWaalsContact CB-O 3.22Å; R69-S84 WeakPolarHBondContact CB-O 3.36Å
70N93.1Very high94.3Very high120 Ų12079.4 Ų79.464%0.64240%0.402SS*.THydrogen-bonded Turntrans-104.4-5.8-178.9-66.52.8000113.4G68G68-N70 PolarHBondContact O-N 3.03Å
71T95.2Very high94.7Very high80 Ų8079.5 Ų79.549%0.49140%0.398SS..SBendtrans-89.8140.5-176.561.20000110.6G68 R73 K76G68-T71 WeakPolarHBondContact CA-OG1 3.4Å; G68-T71 PolarHBondContact O-N 3.18Å; G68-T71 PolarHBondContact O-OG1 3.1Å; T71-R73 PolarHBondContact O-N 2.76Å; T71-K76 WeakPolarHBondContact O-CE 3.42Å; T71-K76 PolarHBondContact O-NZ 3.17Å; T71-K76 PolarHBondContact OG1-NZ 2.85Å
72K95.4Very high94.9Very high138 Ų13881.2 Ų81.260%0.641%0.411SS*.SBendtrans46.239.9169-62.6-179.2176.7-175.10114.3Y74 L75 K76K72-Y74 HydrophobicContact CB-CE1 4.48Å; K72-Y74 PolarHBondContact O-N 3.17Å; K72-L75 HydrophobicContact CB-CD1 4.22Å; K72-L75 HydrophobicContact CD-CD1 4.18Å; K72-L75 HydrophobicContact CG-CD1 4.44Å; K72-L75 PolarHBondContact O-N 3.41Å; K72-L75 VanDerWaalsContact O-N 3.13Å; K72-K76 WeakPolarHBondContact O-CG 3.17Å
73R94.9Very high95Very high82 Ų8283.8 Ų83.831%0.30943%0.43SS..G310 helixtrans-59.1-35.9-174.6-71.6-176.269.191.2-1.1112.5R69 T71 L75 K76 L81R69-R73 PolarHBondContact O-NH1 3.45Å; T71-R73 PolarHBondContact O-N 2.76Å; R73-L75 PolarHBondContact O-N 2.97Å; R73-L75 VanDerWaalsContact O-N 3.14Å; R73-K76 PolarHBondContact O-N 3Å; R73-K76 VanDerWaalsContact O-N 3.13Å; R73-L81 HydrophobicContact CB-CD2 3.71Å; R73-L81 HydrophobicContact CG-CD2 3.92Å; R73-L81 PolarHBondContact NH2-O 3.02Å
74Y94.2Very high95Very high190 Ų19083.1 Ų83.175%0.74543%0.427SS*.G310 helixtrans-63.5-16.5178.968.6-85.7000115K72K72-Y74 HydrophobicContact CB-CE1 4.48Å; K72-Y74 PolarHBondContact O-N 3.17Å
75L96.4Very high94.9Very high113 Ų11384.2 Ų84.259%0.59244%0.437SS*.G310 helixtrans-96.6-2.5178.3-67.4173.3000113.2K72 R73K72-L75 HydrophobicContact CB-CD1 4.22Å; K72-L75 HydrophobicContact CD-CD1 4.18Å; K72-L75 HydrophobicContact CG-CD1 4.44Å; K72-L75 PolarHBondContact O-N 3.41Å; K72-L75 VanDerWaalsContact O-N 3.13Å; R73-L75 PolarHBondContact O-N 2.97Å; R73-L75 VanDerWaalsContact O-N 3.14Å
76K95.8Very high94.9Very high51 Ų5188 Ų8822%0.22245%0.45CS..SBendtrans-111.6147.2-167.1-60.8178.9-173.3175.60110.3G68 T71 K72 R73 W80 L81G68-K76 PolarHBondContact O-NZ 3.18Å; T71-K76 WeakPolarHBondContact O-CE 3.42Å; T71-K76 PolarHBondContact O-NZ 3.17Å; T71-K76 PolarHBondContact OG1-NZ 2.85Å; K72-K76 WeakPolarHBondContact O-CG 3.17Å; R73-K76 PolarHBondContact O-N 3Å; R73-K76 VanDerWaalsContact O-N 3.13Å; K76-W80 HydrophobicContact CB-CD2 4.21Å; K76-W80 HydrophobicContact CB-CE3 3.78Å; K76-W80 HydrophobicContact CB-CZ3 4.46Å; K76-W80 HydrophobicContact CD-CD2 3.67Å; K76-W80 HydrophobicContact CD-CE3 3.17Å; K76-W80 HydrophobicContact CD-CH2 3.51Å; K76-W80 HydrophobicContact CD-CZ2 3.89Å; K76-W80 HydrophobicContact CD-CZ3 3.09Å; K76-W80 HydrophobicContact CG-CD2 4.4Å; K76-W80 HydrophobicContact CG-CE3 4.06Å; K76-W80 HydrophobicContact CG-CZ3 4.37Å; K76-W80 VanDerWaalsContact NZ-CZ3 3.34Å; K76-L81 HydrophobicContact CB-CD2 4.14Å; K76-L81 HydrophobicContact CB-CG 4.48Å
77D96.1Very high94.9Very high121 Ų12190.7 Ų90.765%0.64746%0.461SS*.  trans-66.2148.6179.7-51.3-37.1000111.8P79 W80 L81D77-P79 HydrophobicContact CB-CG 4.13Å; D77-W80 WeakPolarHBondContact O-CA 3.38Å; D77-W80 VanDerWaalsContact O-CB 3.29Å; D77-W80 WeakPolarHBondContact O-CB 3.45Å; D77-W80 PolarHBondContact O-N 3.48Å; D77-L81 WeakPolarHBondContact O-CG 3.29Å; D77-L81 PolarHBondContact O-N 3.05Å
78E95.6Very high95Very high136 Ų13687.7 Ų87.764%0.63644%0.441SS*.Hα-helixtrans-48.1-48.9176.2-69.8-57.8141.800114.9W80 L81 T82E78-W80 PolarHBondContact O-N 3Å; E78-L81 WeakPolarHBondContact O-CB 3.03Å; E78-L81 PolarHBondContact O-N 2.67Å; E78-T82 PolarHBondContact O-N 3.26Å; E78-T82 VanDerWaalsContact O-N 3.1Å; E78-T82 PolarHBondContact O-OG1 3.31Å
79P95.9Very high95.1Very high92 Ų9290.2 Ų90.260%0.59745%0.45SS*.Hα-helixtrans-61.5-31.5178.323.5-35.5000113.2D77 S83D77-P79 HydrophobicContact CB-CG 4.13Å; P79-S83 WeakPolarHBondContact O-CB 3.41Å; P79-S83 PolarHBondContact O-N 3.42Å; P79-S83 VanDerWaalsContact O-N 3.09Å; P79-S83 PolarHBondContact O-OG 2.86Å
80W95.1Very high95.1Very high97 Ų9787 Ų8737%0.36744%0.439SS..Hα-helixtrans-70.4-40.7174.5-171.1100.1000110.6G68 K76 D77 E78 T82 S83 S84G68-W80 WeakPolarHBondContact O-CH2 3.4Å; K76-W80 HydrophobicContact CB-CD2 4.21Å; K76-W80 HydrophobicContact CB-CE3 3.78Å; K76-W80 HydrophobicContact CB-CZ3 4.46Å; K76-W80 HydrophobicContact CD-CD2 3.67Å; K76-W80 HydrophobicContact CD-CE3 3.17Å; K76-W80 HydrophobicContact CD-CH2 3.51Å; K76-W80 HydrophobicContact CD-CZ2 3.89Å; K76-W80 HydrophobicContact CD-CZ3 3.09Å; K76-W80 HydrophobicContact CG-CD2 4.4Å; K76-W80 HydrophobicContact CG-CE3 4.06Å; K76-W80 HydrophobicContact CG-CZ3 4.37Å; K76-W80 VanDerWaalsContact NZ-CZ3 3.34Å; D77-W80 WeakPolarHBondContact O-CA 3.38Å; D77-W80 VanDerWaalsContact O-CB 3.29Å; D77-W80 WeakPolarHBondContact O-CB 3.45Å; D77-W80 PolarHBondContact O-N 3.48Å; E78-W80 PolarHBondContact O-N 3Å; W80-T82 VanDerWaalsContact C-N 3.31Å; W80-T82 PolarHBondContact O-N 3.01Å; W80-S83 PolarHBondContact O-N 3.36Å; W80-S84 VanDerWaalsContact CH2-CB 3.46Å; W80-S84 VanDerWaalsContact CZ3-CB 3.42Å; W80-S84 VanDerWaalsContact CZ3-OG 3.25Å; W80-S84 WeakPolarHBondContact CZ3-OG 3.44Å; W80-S84 WeakPolarHBondContact O-CB 3.46Å; W80-S84 PolarHBondContact O-N 2.97Å; W80-S84 PolarHBondContact O-OG 2.83Å
81L95.4Very high95.1Very high20 Ų2084.4 Ų84.411%0.10543%0.428CS..Hα-helixtrans-60.4-39.5178.3-68.1177.5000112.4R73 K76 D77 E78 S84 L85R73-L81 HydrophobicContact CB-CD2 3.71Å; R73-L81 HydrophobicContact CG-CD2 3.92Å; R73-L81 PolarHBondContact NH2-O 3.02Å; K76-L81 HydrophobicContact CB-CD2 4.14Å; K76-L81 HydrophobicContact CB-CG 4.48Å; D77-L81 WeakPolarHBondContact O-CG 3.29Å; D77-L81 PolarHBondContact O-N 3.05Å; E78-L81 WeakPolarHBondContact O-CB 3.03Å; E78-L81 PolarHBondContact O-N 2.67Å; L81-S84 PolarHBondContact O-OG 3.04Å; L81-S84 VanDerWaalsContact O-OG 3.06Å; L81-L85 WeakPolarHBondContact O-CG 3.41Å
82T95.2Very high94.7Very high87 Ų8784.9 Ų84.953%0.53443%0.432SS..Hα-helixtrans-72.2-50.9175.8-48.20000111.8E78 W80 S84 L85E78-T82 PolarHBondContact O-N 3.26Å; E78-T82 VanDerWaalsContact O-N 3.1Å; E78-T82 PolarHBondContact O-OG1 3.31Å; W80-T82 VanDerWaalsContact C-N 3.31Å; W80-T82 PolarHBondContact O-N 3.01Å; T82-S84 VanDerWaalsContact C-N 3.3Å; T82-S84 PolarHBondContact O-N 3.23Å; T82-L85 PolarHBondContact O-N 2.98Å
83S95.3Very high94.4Very high57 Ų5784 Ų8440%0.39943%0.433SS..Hα-helixtrans-65.7-32.1-176-55.80000112.8N66 P79 W80 L85 Q86N66-S83 PolarHBondContact ND2-O 2.64Å; N66-S83 VanDerWaalsContact ND2-O 3.13Å; P79-S83 WeakPolarHBondContact O-CB 3.41Å; P79-S83 PolarHBondContact O-N 3.42Å; P79-S83 VanDerWaalsContact O-N 3.09Å; P79-S83 PolarHBondContact O-OG 2.86Å; W80-S83 PolarHBondContact O-N 3.36Å; S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 PolarHBondContact O-N 2.75Å; S83-Q86 WeakPolarHBondContact O-CB 3.33Å; S83-Q86 PolarHBondContact O-N 2.95Å
84S94.8Very high94.3Very high4 Ų483.7 Ų83.73%0.02844%0.435CS..THydrogen-bonded Turntrans-67.6-24.117966.40000114R69 W80 L81 T82 Q86R69-S84 VanDerWaalsContact CB-O 3.22Å; R69-S84 WeakPolarHBondContact CB-O 3.36Å; W80-S84 VanDerWaalsContact CH2-CB 3.46Å; W80-S84 VanDerWaalsContact CZ3-CB 3.42Å; W80-S84 VanDerWaalsContact CZ3-OG 3.25Å; W80-S84 WeakPolarHBondContact CZ3-OG 3.44Å; W80-S84 WeakPolarHBondContact O-CB 3.46Å; W80-S84 PolarHBondContact O-N 2.97Å; W80-S84 PolarHBondContact O-OG 2.83Å; L81-S84 PolarHBondContact O-OG 3.04Å; L81-S84 VanDerWaalsContact O-OG 3.06Å; T82-S84 VanDerWaalsContact C-N 3.3Å; T82-S84 PolarHBondContact O-N 3.23Å; S84-Q86 VanDerWaalsContact C-N 3.28Å
85L94.9Very high94.2Very high92 Ų9275.1 Ų75.148%0.48240%0.403SS..THydrogen-bonded Turntrans-76.5-20.1177.9-67.4175000112.4L81 T82 S83L81-L85 WeakPolarHBondContact O-CG 3.41Å; T82-L85 PolarHBondContact O-N 2.98Å; S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 PolarHBondContact O-N 2.75Å
86Q95.5Very high93.7Very high110 Ų11073.2 Ų73.251%0.51439%0.391SS..SBendtrans-68.5146.1-177.5-60.9174.7-11.800112S83 S84S83-Q86 WeakPolarHBondContact O-CB 3.33Å; S83-Q86 PolarHBondContact O-N 2.95Å; S84-Q86 VanDerWaalsContact C-N 3.28Å
87H95.4Very high93.4Very high93 Ų9375.1 Ų75.143%0.43140%0.402SS..EExtended strand (participates in β ladder)trans-85.7131.6169.9-79.2-66000109.8I63 R64 Y117I63-H87 HydrophobicContact CG2-CB 3.67Å; R64-H87 WeakPolarHBondContact O-CA 3.26Å; R64-H87 PolarHBondContact O-ND1 3.48Å; H87-Y117 PolarHBondContact CD2-OH 2.8Å; H87-Y117 PolarHBondContact NE2-OH 2.76Å
88V94.8Very high93.2Very high45 Ų4569.9 Ų69.927%0.27338%0.375SS..EExtended strand (participates in β ladder)trans-117.2140.6-175.3-178.50000109.5R64 N66R64-V88 PolarHBondContact N-O 3.42Å; R64-V88 PolarHBondContact O-N 3.35Å; N66-V88 WeakPolarHBondContact OD1-CG2 3.12Å
89T94.5Very high92.9Very high85 Ų8565 Ų6552%0.52135%0.353SS..EExtended strand (participates in β ladder)trans-76.3140.8172.953.50000111.2W62 I63W62-T89 WeakPolarHBondContact O-CA 3.4Å; I63-T89 HydrophobicContact CG1-CG2 4.46Å
90C93.3Very high92.4Very high13 Ų1366.6 Ų66.69%0.08835%0.35CS..PPolyproline II helixtrans-70.1155.8174.5-73.30000112.7W62 E94W62-C90 HydrophobicContact CB-CB 4.04Å; W62-C90 PolarHBondContact O-N 2.81Å; C90-E94 VanDerWaalsContact CA-OE2 3.29Å; C90-E94 WeakPolarHBondContact CA-OE2 3.42Å; C90-E94 HydrophobicContact CB-CB 3.98Å; C90-E94 VanDerWaalsContact CB-OE2 3.26Å; C90-E94 WeakPolarHBondContact CB-OE2 3.42Å
91T92.6Very high92.1Very high67 Ų6764.3 Ų64.341%0.41135%0.345SS..PPolyproline II helixtrans-66.6158.6172.765.80000110.9I93 E94 C95T91-I93 VanDerWaalsContact C-N 3.26Å; T91-I93 PolarHBondContact O-N 3.08Å; T91-E94 WeakPolarHBondContact CG2-OE1 3.4Å; T91-E94 PolarHBondContact N-OE2 3.39Å; T91-E94 WeakPolarHBondContact O-CB 3.49Å; T91-E94 PolarHBondContact O-N 3.42Å; T91-E94 WeakPolarHBondContact OG1-CB 3.28Å; T91-E94 WeakPolarHBondContact OG1-CG 3.47Å; T91-E94 PolarHBondContact OG1-N 3.07Å; T91-E94 PolarHBondContact OG1-OE1 2.94Å; T91-C95 PolarHBondContact O-N 3.4Å; T91-C95 PolarHBondContact O-SG 3.22Å
92P88.6Confident91.7Very high89 Ų8963.3 Ų63.358%0.57834%0.34SS*.Hα-helixtrans-59.3-36.1179.4-25.835000113.4C95 Q96P92-C95 PolarHBondContact O-N 3.25Å; P92-Q96 WeakPolarHBondContact O-CG 3.26Å; P92-Q96 PolarHBondContact O-N 2.9Å
93I88.6Confident91.2Very high120 Ų12060 Ų6062%0.61532%0.32SS*.Hα-helixtrans-67.6-46.5178-63.3170.8000110.3T91 C95 Q96 I97T91-I93 VanDerWaalsContact C-N 3.26Å; T91-I93 PolarHBondContact O-N 3.08Å; I93-C95 VanDerWaalsContact C-N 3.29Å; I93-C95 PolarHBondContact O-N 3.28Å; I93-Q96 WeakPolarHBondContact O-CB 3.42Å; I93-Q96 PolarHBondContact O-N 3.08Å; I93-Q96 VanDerWaalsContact O-N 3.15Å; I93-I97 HydrophobicContact CG2-CD1 4.19Å; I93-I97 WeakPolarHBondContact O-CG1 3.47Å; I93-I97 PolarHBondContact O-N 3.15Å
94E91.9Very high90.5Very high75 Ų7563 Ų6335%0.3532%0.323SS..Hα-helixtrans-55.7-46.3173.2-74.4157.9-145.800110.9C90 T91 Q96 I97 L98C90-E94 VanDerWaalsContact CA-OE2 3.29Å; C90-E94 WeakPolarHBondContact CA-OE2 3.42Å; C90-E94 HydrophobicContact CB-CB 3.98Å; C90-E94 VanDerWaalsContact CB-OE2 3.26Å; C90-E94 WeakPolarHBondContact CB-OE2 3.42Å; T91-E94 WeakPolarHBondContact CG2-OE1 3.4Å; T91-E94 PolarHBondContact N-OE2 3.39Å; T91-E94 WeakPolarHBondContact O-CB 3.49Å; T91-E94 PolarHBondContact O-N 3.42Å; T91-E94 WeakPolarHBondContact OG1-CB 3.28Å; T91-E94 WeakPolarHBondContact OG1-CG 3.47Å; T91-E94 PolarHBondContact OG1-N 3.07Å; T91-E94 PolarHBondContact OG1-OE1 2.94Å; E94-Q96 VanDerWaalsContact C-N 3.29Å; E94-Q96 PolarHBondContact O-N 2.93Å; E94-I97 PolarHBondContact O-N 3.32Å; E94-I97 VanDerWaalsContact O-N 3.08Å; E94-L98 VanDerWaalsContact O-CG 3.29Å; E94-L98 WeakPolarHBondContact O-CG 3.29Å; E94-L98 PolarHBondContact O-N 3.36Å
95C91.8Very high89.9Confident10 Ų1063.7 Ų63.77%0.06833%0.325CS..Hα-helixtrans-57.9-41.8178.1-66.70000112T91 P92 I93 I97 L98 D99T91-C95 PolarHBondContact O-N 3.4Å; T91-C95 PolarHBondContact O-SG 3.22Å; P92-C95 PolarHBondContact O-N 3.25Å; I93-C95 VanDerWaalsContact C-N 3.29Å; I93-C95 PolarHBondContact O-N 3.28Å; C95-I97 VanDerWaalsContact C-N 3.35Å; C95-I97 PolarHBondContact O-N 3.06Å; C95-L98 PolarHBondContact O-N 3.39Å; C95-D99 WeakPolarHBondContact O-CB 3.45Å; C95-D99 PolarHBondContact O-N 2.89Å
96Q86.3Confident89.4Confident74 Ų7461.5 Ų61.535%0.34631%0.311SS..Hα-helixtrans-63.9-38.2176-70.6-179.313.800112.6P92 I93 E94 K100 F134P92-Q96 WeakPolarHBondContact O-CG 3.26Å; P92-Q96 PolarHBondContact O-N 2.9Å; I93-Q96 WeakPolarHBondContact O-CB 3.42Å; I93-Q96 PolarHBondContact O-N 3.08Å; I93-Q96 VanDerWaalsContact O-N 3.15Å; E94-Q96 VanDerWaalsContact C-N 3.29Å; E94-Q96 PolarHBondContact O-N 2.93Å; Q96-K100 WeakPolarHBondContact O-CG 3.46Å; Q96-K100 PolarHBondContact O-N 2.94Å; Q96-F134 PolarHBondContact NE2-O 3.09Å
97I90.1Very high89Confident90 Ų9059 Ų5946%0.46230%0.299SS..Hα-helixtrans-67.1-47.2176.8-65.5167.7000110.1I93 E94 C95 D99 K100 L101I93-I97 HydrophobicContact CG2-CD1 4.19Å; I93-I97 WeakPolarHBondContact O-CG1 3.47Å; I93-I97 PolarHBondContact O-N 3.15Å; E94-I97 PolarHBondContact O-N 3.32Å; E94-I97 VanDerWaalsContact O-N 3.08Å; C95-I97 VanDerWaalsContact C-N 3.35Å; C95-I97 PolarHBondContact O-N 3.06Å; I97-D99 VanDerWaalsContact C-N 3.3Å; I97-D99 PolarHBondContact O-N 2.95Å; I97-K100 CarbonylContact O-C 3.58Å; I97-K100 WeakPolarHBondContact O-CA 3.48Å; I97-K100 WeakPolarHBondContact O-CB 3.41Å; I97-K100 PolarHBondContact O-N 3.4Å; I97-L101 HydrophobicContact CG2-CD1 4.18Å; I97-L101 WeakPolarHBondContact O-CG 3.29Å; I97-L101 PolarHBondContact O-N 3.07Å
98L91.2Very high88.4Confident12 Ų1258.6 Ų58.66%0.06329%0.294CS..Hα-helixtrans-60.6-39.9179.4-64.7171.6000111.6V50 F54 W62 E94 C95 K100 L101 V102V50-L98 HydrophobicContact CB-CD2 4.37Å; V50-L98 HydrophobicContact CG1-CB 4.49Å; V50-L98 HydrophobicContact CG1-CD2 3.69Å; V50-L98 HydrophobicContact CG2-CD2 3.78Å; F54-L98 HydrophobicContact CD1-CD1 3.94Å; F54-L98 HydrophobicContact CD2-CD2 4.21Å; F54-L98 HydrophobicContact CE1-CD1 4.18Å; F54-L98 HydrophobicContact CE2-CD2 4.18Å; F54-L98 HydrophobicContact CG-CD1 4.26Å; F54-L98 HydrophobicContact CG-CD2 4.48Å; F54-L98 HydrophobicContact CZ-CD2 4.41Å; W62-L98 HydrophobicContact CB-CD1 3.76Å; W62-L98 HydrophobicContact CD2-CB 4.08Å; W62-L98 HydrophobicContact CD2-CD1 3.79Å; W62-L98 HydrophobicContact CE3-CD1 4.4Å; W62-L98 HydrophobicContact CG-CB 4.29Å; W62-L98 HydrophobicContact CG-CD1 3.5Å; W62-L98 HydrophobicContact CZ2-CB 3.99Å; E94-L98 VanDerWaalsContact O-CG 3.29Å; E94-L98 WeakPolarHBondContact O-CG 3.29Å; E94-L98 PolarHBondContact O-N 3.36Å; C95-L98 PolarHBondContact O-N 3.39Å; L98-K100 PolarHBondContact O-N 3.26Å; L98-L101 PolarHBondContact O-N 3.45Å; L98-V102 WeakPolarHBondContact O-CG2 3.16Å; L98-V102 PolarHBondContact O-N 3.12Å
99D89.7Confident88.1Confident34 Ų3460.3 Ų60.318%0.18231%0.306CS..Hα-helixtrans-64.7-28.2175.5-71.7-1000112.7R56 W62 C95 I97 V102 Q107R56-D99 IonicContact CZ-OD1 3.08Å; R56-D99 IonicContact CZ-OD2 3.43Å; R56-D99 VanDerWaalsContact NH1-CG 3.32Å; R56-D99 IonicContact NH1-OD1 2.67Å; R56-D99 PolarHBondContact NH1-OD1 3.31Å; R56-D99 IonicContact NH1-OD2 3.17Å; R56-D99 PolarHBondContact NH1-OD2 3.44Å; R56-D99 VanDerWaalsContact NH1-OD2 3.17Å; R56-D99 VanDerWaalsContact NH2-CG 3.34Å; R56-D99 IonicContact NH2-OD1 3.18Å; R56-D99 PolarHBondContact NH2-OD1 3.33Å; R56-D99 IonicContact NH2-OD2 2.82Å; R56-D99 PolarHBondContact NH2-OD2 2.63Å; W62-D99 PolarHBondContact NE1-OD1 3.42Å; C95-D99 WeakPolarHBondContact O-CB 3.45Å; C95-D99 PolarHBondContact O-N 2.89Å; I97-D99 VanDerWaalsContact C-N 3.3Å; I97-D99 PolarHBondContact O-N 2.95Å; D99-V102 VanDerWaalsContact O-O 3.04Å; D99-Q107 PolarHBondContact O-NE2 2.96Å
100K86.4Confident87.7Confident125 Ų12558.7 Ų58.754%0.54329%0.291SS..Hα-helixtrans-79.2-22.9172.2-68.9171.1-172.1176.10112.9K44 Q96 I97 L98K44-K100 WeakPolarHBondContact CE-O 3.46Å; K44-K100 VanDerWaalsContact NZ-C 3.3Å; K44-K100 PolarHBondContact NZ-O 3.43Å; Q96-K100 WeakPolarHBondContact O-CG 3.46Å; Q96-K100 PolarHBondContact O-N 2.94Å; I97-K100 CarbonylContact O-C 3.58Å; I97-K100 WeakPolarHBondContact O-CA 3.48Å; I97-K100 WeakPolarHBondContact O-CB 3.41Å; I97-K100 PolarHBondContact O-N 3.4Å; L98-K100 PolarHBondContact O-N 3.26Å
101L88Confident87.6Confident48 Ų4866.4 Ų66.425%0.25132%0.32SS..Hα-helixtrans-87.5-28.7178.1-67.9176000113.1C47 V50 I97 L98C47-L101 HydrophobicContact CB-CB 4.11Å; C47-L101 PolarHBondContact N-O 3.2Å; V50-L101 HydrophobicContact CG2-CB 4.13Å; V50-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CD1 4.18Å; I97-L101 WeakPolarHBondContact O-CG 3.29Å; I97-L101 PolarHBondContact O-N 3.07Å; L98-L101 PolarHBondContact O-N 3.45Å
102V86.9Confident87.5Confident0 Ų067.7 Ų67.70%032%0.32CS..SBendtrans-99.5144.2-178.1-178.40000109.8K44 V50 L51 W62 L98 D99 W106 Q107K44-V102 PolarHBondContact NZ-O 3.18Å; V50-V102 HydrophobicContact CB-CG2 3.91Å; V50-V102 HydrophobicContact CG1-CG2 3.42Å; V50-V102 VanDerWaalsContact CG1-CG2 3.42Å; L51-V102 HydrophobicContact CD2-CG1 4.14Å; L51-V102 HydrophobicContact CD2-CG2 4.42Å; W62-V102 HydrophobicContact CH2-CB 4.37Å; W62-V102 HydrophobicContact CH2-CG1 4.48Å; W62-V102 HydrophobicContact CH2-CG2 3.88Å; W62-V102 HydrophobicContact CZ2-CB 4.48Å; W62-V102 HydrophobicContact CZ2-CG2 4.25Å; L98-V102 WeakPolarHBondContact O-CG2 3.16Å; L98-V102 PolarHBondContact O-N 3.12Å; D99-V102 VanDerWaalsContact O-O 3.04Å; V102-W106 HydrophobicContact CG1-CB 3.31Å; V102-W106 VanDerWaalsContact CG1-CD1 3.47Å; V102-W106 HydrophobicContact CG1-CG 3.55Å; V102-Q107 PolarHBondContact O-NE2 2.88Å
103S84.1Confident87.8Confident17 Ų1769.8 Ų69.812%0.11933%0.331CS..  trans-84.9168.9177151.80000111.6F105 W106 E148S103-F105 PolarHBondContact O-N 2.71Å; S103-W106 PolarHBondContact O-N 3.36Å; S103-E148 VanDerWaalsContact C-OE1 3.31Å; S103-E148 VanDerWaalsContact CA-OE1 3.26Å; S103-E148 WeakPolarHBondContact CA-OE1 3.47Å; S103-E148 VanDerWaalsContact CB-CD 3.44Å; S103-E148 WeakPolarHBondContact CB-OE1 3.35Å; S103-E148 VanDerWaalsContact OG-CD 3.26Å; S103-E148 WeakPolarHBondContact OG-CG 3.38Å; S103-E148 PolarHBondContact OG-OE1 2.95Å
104R80.3Confident88.1Confident121 Ų12171.4 Ų71.446%0.45734%0.341SS..G310 helixtrans-65.4-21.5-166.8-69.2-179.1171.3-142.7-9.6113.1W106 Q107 R108R104-W106 VanDerWaalsContact C-N 3.32Å; R104-W106 PolarHBondContact O-N 3.18Å; R104-Q107 PolarHBondContact O-N 2.84Å; R104-R108 PolarHBondContact O-N 3.01Å
105F82.9Confident88.1Confident18 Ų1869.4 Ų69.48%0.07933%0.333CS..G310 helixtrans-54.4-48.4175.3177.8-110.5000112.3S103 Q107 R108 E148 E151 F155S103-F105 PolarHBondContact O-N 2.71Å; F105-Q107 PolarHBondContact O-N 2.72Å; F105-R108 WeakPolarHBondContact O-CB 3.34Å; F105-R108 WeakPolarHBondContact O-CG 3.39Å; F105-R108 PolarHBondContact O-N 3.09Å; F105-E148 HydrophobicContact CB-CG 4.2Å; F105-E148 VanDerWaalsContact CB-OE1 3.29Å; F105-E148 WeakPolarHBondContact CB-OE1 3.47Å; F105-E151 HydrophobicContact CB-CG 4.36Å; F105-E151 VanDerWaalsContact CB-OE1 3.25Å; F105-E151 WeakPolarHBondContact CB-OE1 3.5Å; F105-E151 HydrophobicContact CD1-CG 4.05Å; F105-E151 HydrophobicContact CD2-CG 3.66Å; F105-E151 WeakPolarHBondContact CD2-OE1 3.25Å; F105-E151 WeakPolarHBondContact CD2-OE2 3.34Å; F105-E151 HydrophobicContact CE1-CG 4.17Å; F105-E151 HydrophobicContact CE2-CB 4.33Å; F105-E151 VanDerWaalsContact CE2-CD 3.48Å; F105-E151 HydrophobicContact CE2-CG 3.79Å; F105-E151 WeakPolarHBondContact CE2-OE2 3.46Å; F105-E151 HydrophobicContact CG-CG 3.77Å; F105-E151 VanDerWaalsContact CG-OE1 3.3Å; F105-E151 WeakPolarHBondContact CG-OE1 3.44Å; F105-E151 HydrophobicContact CZ-CB 4.33Å; F105-E151 HydrophobicContact CZ-CG 4.02Å; F105-F155 HydrophobicContact CE1-CD2 4.49Å; F105-F155 AromaticContact CE1-CE2 3.95Å; F105-F155 HydrophobicContact CE1-CE2 3.95Å; F105-F155 AromaticContact CZ-CD2 3.78Å; F105-F155 HydrophobicContact CZ-CD2 3.78Å; F105-F155 AromaticContact CZ-CE2 3.43Å; F105-F155 HydrophobicContact CZ-CE2 3.43Å; F105-F155 VanDerWaalsContact CZ-CE2 3.43Å
106W85.6Confident88.2Confident45 Ų4577 Ų7717%0.1737%0.367CS..G310 helixtrans-75.5-13.4-178.9-56.995000113.8L51 V102 S103 R104 R108 E148 F154L51-W106 HydrophobicContact CD1-CD2 4.16Å; L51-W106 HydrophobicContact CD1-CH2 4.2Å; L51-W106 HydrophobicContact CD1-CZ2 3.66Å; L51-W106 HydrophobicContact CD2-CB 4.36Å; L51-W106 HydrophobicContact CD2-CD2 3.53Å; L51-W106 HydrophobicContact CD2-CE3 3.81Å; L51-W106 HydrophobicContact CD2-CG 3.76Å; L51-W106 HydrophobicContact CD2-CZ2 4.49Å; L51-W106 HydrophobicContact CD2-CZ3 4.4Å; V102-W106 HydrophobicContact CG1-CB 3.31Å; V102-W106 VanDerWaalsContact CG1-CD1 3.47Å; V102-W106 HydrophobicContact CG1-CG 3.55Å; S103-W106 PolarHBondContact O-N 3.36Å; R104-W106 VanDerWaalsContact C-N 3.32Å; R104-W106 PolarHBondContact O-N 3.18Å; W106-R108 VanDerWaalsContact C-N 3.35Å; W106-E148 PolarHBondContact NE1-OE1 3.07Å; W106-E148 PolarHBondContact NE1-OE2 2.99Å; W106-F154 HydrophobicContact CH2-CB 4.46Å; W106-F154 HydrophobicContact CH2-CD1 4.38Å; W106-F154 HydrophobicContact CH2-CD2 4.15Å; W106-F154 HydrophobicContact CH2-CE2 4.5Å; W106-F154 HydrophobicContact CH2-CG 4.09Å; W106-F154 HydrophobicContact CZ2-CD2 4.08Å; W106-F154 HydrophobicContact CZ2-CE2 4.25Å; W106-F154 HydrophobicContact CZ2-CG 4.48Å
107Q85.5Confident88.5Confident58 Ų5875.9 Ų75.927%0.27136%0.36SS..G310 helixtrans-87.6-8.2176.9-59.8176.620.200112.2D99 V102 R104 F105D99-Q107 PolarHBondContact O-NE2 2.96Å; V102-Q107 PolarHBondContact O-NE2 2.88Å; R104-Q107 PolarHBondContact O-N 2.84Å; F105-Q107 PolarHBondContact O-N 2.72Å
108R83.8Confident88.6Confident84 Ų8476.7 Ų76.732%0.31736%0.362SS..SBendtrans-66.7144.6177.1-62177.4-169.7163.412.9109.9R104 F105 W106 K110 E151R104-R108 PolarHBondContact O-N 3.01Å; F105-R108 WeakPolarHBondContact O-CB 3.34Å; F105-R108 WeakPolarHBondContact O-CG 3.39Å; F105-R108 PolarHBondContact O-N 3.09Å; W106-R108 VanDerWaalsContact C-N 3.35Å; R108-K110 PolarHBondContact O-N 2.99Å; R108-E151 IonicContact NH2-OE1 3.66Å
109P88.2Confident88.6Confident82 Ų8279.8 Ų79.853%0.53239%0.389SS..  trans-63134.8172.127.5-33.3000109.9N58 Y111N58-P109 HydrophobicContact CB-CB 4.37Å; N58-P109 VanDerWaalsContact OD1-CA 3.28Å; N58-P109 WeakPolarHBondContact OD1-CA 3.41Å; P109-Y111 HydrophobicContact CB-CE2 4.37Å
110K86Confident88.6Confident50 Ų5085 Ų8522%0.21741%0.408CS..  trans-120.8143.9176.4-57.1-169.2-176.5-165.40109.5N58 R108 F112N58-K110 PolarHBondContact ND2-O 3.07Å; N58-K110 PolarHBondContact OD1-N 3.26Å; R108-K110 PolarHBondContact O-N 2.99Å; K110-F112 HydrophobicContact CB-CD2 4.34Å; K110-F112 HydrophobicContact CB-CE2 3.73Å; K110-F112 HydrophobicContact CB-CZ 3.96Å; K110-F112 HydrophobicContact CD-CE2 3.95Å; K110-F112 HydrophobicContact CD-CZ 3.58Å; K110-F112 HydrophobicContact CG-CE2 4.48Å; K110-F112 HydrophobicContact CG-CZ 4.37Å
111Y90.9Very high88.7Confident175 Ų17580.1 Ų80.169%0.68639%0.387SS*.  trans-126.4109.3175.4-58.4-82.2000106.7P109P109-Y111 HydrophobicContact CB-CE2 4.37Å
112F91.2Very high88.6Confident94 Ų9482.1 Ų82.141%0.41240%0.401SS..  trans-105.9149.8176.4-60.1-68.9000108.6K110 D114 D115K110-F112 HydrophobicContact CB-CD2 4.34Å; K110-F112 HydrophobicContact CB-CE2 3.73Å; K110-F112 HydrophobicContact CB-CZ 3.96Å; K110-F112 HydrophobicContact CD-CE2 3.95Å; K110-F112 HydrophobicContact CD-CZ 3.58Å; K110-F112 HydrophobicContact CG-CE2 4.48Å; K110-F112 HydrophobicContact CG-CZ 4.37Å; F112-D114 PolarHBondContact O-N 2.92Å; F112-D115 HydrophobicContact CB-CB 4.31Å
113V95Very high88.3Confident134 Ų13487.8 Ų87.881%0.81242%0.423SS*.THydrogen-bonded Turntrans-67.2130.8171.3-174.60000108D115V113-D115 PolarHBondContact O-N 3.48Å
114D94.3Very high88.3Confident153 Ų15393.7 Ų93.782%0.81845%0.448SS*.THydrogen-bonded Turntrans58.639.6178.8-53.1-35.5000115.7F112 Q116F112-D114 PolarHBondContact O-N 2.92Å; D114-Q116 PolarHBondContact O-N 2.87Å
115D91.6Very high88.3Confident34 Ų3494 Ų9418%0.18247%0.469CS..  trans-73.7117.7174.4-167-8.3000111.8K55 F112 V113 Y117 E118K55-D115 IonicContact NZ-OD2 3.74Å; F112-D115 HydrophobicContact CB-CB 4.31Å; V113-D115 PolarHBondContact O-N 3.48Å; D115-Y117 PolarHBondContact O-N 3.15Å; D115-Y117 PolarHBondContact OD1-N 2.78Å; D115-E118 HydrophobicContact CB-CB 4.4Å; D115-E118 WeakPolarHBondContact O-CB 3.34Å; D115-E118 PolarHBondContact O-N 2.76Å; D115-E118 VanDerWaalsContact O-N 3.1Å
116Q93.7Very high87.7Confident168 Ų16898.3 Ų98.379%0.78549%0.492SS*.THydrogen-bonded Turntrans-56-23174.6-62.8177.7-26.700113.5D114D114-Q116 PolarHBondContact O-N 2.87Å
117Y92.7Very high86.5Confident51 Ų51102.9 Ų102.920%0.252%0.519CS..THydrogen-bonded Turntrans-98.42.4-178-63.5-77.5000114.7I63 H87 D115 A119 Y120I63-Y117 HydrophobicContact CD1-CD1 4.06Å; I63-Y117 HydrophobicContact CD1-CE1 4.18Å; H87-Y117 PolarHBondContact CD2-OH 2.8Å; H87-Y117 PolarHBondContact NE2-OH 2.76Å; D115-Y117 PolarHBondContact O-N 3.15Å; D115-Y117 PolarHBondContact OD1-N 2.78Å; Y117-A119 VanDerWaalsContact C-N 3.31Å; Y117-A119 PolarHBondContact O-N 3.29Å; Y117-Y120 HydrophobicContact CD1-CD2 4.18Å; Y117-Y120 PolarHBondContact O-N 2.82Å
118E91.9Very high85.1Confident107 Ų107102.2 Ų102.250%0.553%0.528SS..G310 helixtrans-56.1-43.6-172.4-175.4171.4-160.100113D115 Y120 N121D115-E118 HydrophobicContact CB-CB 4.4Å; D115-E118 WeakPolarHBondContact O-CB 3.34Å; D115-E118 PolarHBondContact O-N 2.76Å; D115-E118 VanDerWaalsContact O-N 3.1Å; E118-Y120 PolarHBondContact O-N 3.34Å; E118-Y120 VanDerWaalsContact O-N 3.08Å; E118-N121 VanDerWaalsContact O-CB 3.31Å; E118-N121 WeakPolarHBondContact O-CB 3.42Å; E118-N121 PolarHBondContact O-N 3.25Å
119A91.6Very high83.2Confident77 Ų77104.5 Ų104.564%0.63655%0.551SS**G310 helixtrans-58.4-24.7179.200000113.7Y117Y117-A119 VanDerWaalsContact C-N 3.31Å; Y117-A119 PolarHBondContact O-N 3.29Å
120Y90.8Very high81.1Confident145 Ų145110.3 Ų110.357%0.56957%0.568SS**G310 helixtrans-92.3-3.3-178.9-53-72.7000113.5L57 T59 Y117 E118 V122L57-Y120 VanDerWaalsContact CD2-CB 3.43Å; L57-Y120 WeakPolarHBondContact CD2-O 3.22Å; T59-Y120 WeakPolarHBondContact CG2-O 3.35Å; Y117-Y120 HydrophobicContact CD1-CD2 4.18Å; Y117-Y120 PolarHBondContact O-N 2.82Å; E118-Y120 PolarHBondContact O-N 3.34Å; E118-Y120 VanDerWaalsContact O-N 3.08Å; Y120-V122 PolarHBondContact O-N 2.89Å
121N87.7Confident79.4Confident21 Ų21110.3 Ų110.311%0.11258%0.578CS.*SBendtrans-72.2-15.4179.3-79.4-33.9000113.6N58 T59 E118N58-N121 HydrophobicContact CB-CB 3.9Å; N58-N121 PolarHBondContact N-OD1 2.89Å; N58-N121 VanDerWaalsContact N-OD1 3.12Å; T59-N121 WeakPolarHBondContact CG2-O 3.31Å; T59-N121 PolarHBondContact N-O 3.13Å; E118-N121 VanDerWaalsContact O-CB 3.31Å; E118-N121 WeakPolarHBondContact O-CB 3.42Å; E118-N121 PolarHBondContact O-N 3.25Å
122V85.1Confident77.2Confident91 Ų91105 Ų10555%0.55257%0.565SS**SBendtrans-117.5138.9176.5179.60000109.1Y120Y120-V122 PolarHBondContact O-N 2.89Å
123R81.8Confident75Confident118 Ų118106 Ų10645%0.44558%0.582SS.*  trans-94.9117.6170.3-59.6-165.5-173.4166.8-7.1108.9T59 M61 I126T59-R123 HydrophobicContact CG2-CG 3.58Å; M61-R123 HydrophobicContact CE-CG 4.3Å; M61-R123 PolarHBondContact SD-NH2 3.31Å; R123-I126 HydrophobicContact CB-CD1 4.16Å
124H83.9Confident72.8Confident142 Ų142108 Ų10866%0.65758%0.58SS**  trans-84.6149.1171.8-58.6-76000110.2I126H124-I126 PolarHBondContact O-N 2.96Å; H124-I126 VanDerWaalsContact O-N 3.12Å
125S79.9Confident70.7Confident128 Ų128104.9 Ų104.990%0.89556%0.559SS**SBendtrans64.913169.7-45.20000117.4
126I71.5Confident68.7Low108 Ų108108.2 Ų108.255%0.55458%0.58SS**  trans-109.3104173-55.3174.7000108R123 H124 G128R123-I126 HydrophobicContact CB-CD1 4.16Å; H124-I126 PolarHBondContact O-N 2.96Å; H124-I126 VanDerWaalsContact O-N 3.12Å; I126-G128 PolarHBondContact O-N 3.24Å
127D59Low66.6Low141 Ų141107.8 Ų107.875%0.75457%0.572SS**  trans-63.2107.8171.7-62.3-28.9000108.4T129D127-T129 PolarHBondContact O-N 3.43Å
128G56.4Low64.6Low43 Ų43109.8 Ų109.844%0.44359%0.591SS.*THydrogen-bonded Turntrans-64.716.5-169.100000116.4I126 R137I126-G128 PolarHBondContact O-N 3.24Å; G128-R137 PolarHBondContact O-NH2 3.33Å
129T44.9Very low62.5Low132 Ų132114.7 Ų114.781%0.8161%0.605SS**THydrogen-bonded Turntrans-96.6-17.5-173.2-38.20000113D127 A131D127-T129 PolarHBondContact O-N 3.43Å; T129-A131 VanDerWaalsContact C-N 3.35Å; T129-A131 PolarHBondContact O-N 2.89Å
130K43.8Very low60.4Low205 Ų205116.9 Ų116.989%0.89162%0.616SS**  trans-9457.5170.8-63.2-171.7-175.7179.30111.8S132K130-S132 PolarHBondContact O-N 2.72Å; K130-S132 VanDerWaalsContact O-N 3.11Å
131A49.2Very low58.2Low50 Ų50118.2 Ų118.241%0.41362%0.619SS.*  trans-66.9110.1161.500000107.1T129T129-A131 VanDerWaalsContact C-N 3.35Å; T129-A131 PolarHBondContact O-N 2.89Å
132S44.6Very low56.2Low62 Ų62129.1 Ų129.143%0.43466%0.659SS.*  trans-44.3137.2165.1161.30000108.7K130 F134 F135K130-S132 PolarHBondContact O-N 2.72Å; K130-S132 VanDerWaalsContact O-N 3.11Å; S132-F134 PolarHBondContact O-N 2.98Å; S132-F134 PolarHBondContact OG-N 3.21Å; S132-F135 CarbonylContact O-C 3.57Å; S132-F135 WeakPolarHBondContact O-CA 3.29Å; S132-F135 PolarHBondContact O-N 3Å
133P45.9Very low54.5Low116 Ų116130.3 Ų130.375%0.75366%0.657SS**THydrogen-bonded Turntrans-57.8-19.7-178.620.8-30.8000112.9
134F49Very low53.1Low176 Ų176132 Ų13277%0.77267%0.674SS**THydrogen-bonded Turntrans-76.3-22.5173.1-61.4-73.4000113.7Q96 S132 V136Q96-F134 PolarHBondContact NE2-O 3.09Å; S132-F134 PolarHBondContact O-N 2.98Å; S132-F134 PolarHBondContact OG-N 3.21Å; F134-V136 PolarHBondContact O-N 3.34Å
135F50.1Low51.6Low87 Ų87130.4 Ų130.438%0.38267%0.67SS.*  trans-95.770.9174.8-164.6-99.2000109.5S132 R137S132-F135 CarbonylContact O-C 3.57Å; S132-F135 WeakPolarHBondContact O-CA 3.29Å; S132-F135 PolarHBondContact O-N 3Å; F135-R137 HydrophobicContact CE1-CG 4.48Å; F135-R137 PolarHBondContact O-N 3.1Å
136V49.5Very low50.4Low104 Ų104129.8 Ų129.863%0.6366%0.656SS**  trans-60.8104.2165.1-178.20000106.3F134 P138F134-V136 PolarHBondContact O-N 3.34Å; V136-P138 VanDerWaalsContact O-N 3.11Å
137R49.7Very low49.9Very low160 Ų160129.1 Ų129.160%0.60465%0.65SS**  trans-44.8125.8164.9-75.6-176.6173.4-128.55.1105.9G128 F135 R139G128-R137 PolarHBondContact O-NH2 3.33Å; F135-R137 HydrophobicContact CE1-CG 4.48Å; F135-R137 PolarHBondContact O-N 3.1Å; R137-R139 VanDerWaalsContact C-N 3.35Å; R137-R139 PolarHBondContact O-N 3.4Å
138P50.4Low50Low92 Ų92122.7 Ų122.760%0.59762%0.616SS**  trans-55.3110.6171.719.9-28.2000105.8V136 S140V136-P138 VanDerWaalsContact O-N 3.11Å; P138-S140 PolarHBondContact O-N 3.01Å
139R47.1Very low50.1Low210 Ų210122.5 Ų122.579%0.79261%0.607SS**  trans-44.6121.4-179.6-84.8177.5-93.2174.8-6.6106.3R137 R141R137-R139 VanDerWaalsContact C-N 3.35Å; R137-R139 PolarHBondContact O-N 3.4Å; R139-R141 PolarHBondContact O-N 3Å
140S47Very low50.9Low124 Ų124116.9 Ų116.987%0.86757%0.573SS**  trans-63.967.2166.3-173.30000107.8P138 R142P138-S140 PolarHBondContact O-N 3.01Å; S140-R142 PolarHBondContact O-N 3.06Å
141R45.2Very low51.7Low172 Ų172108 Ų10865%0.64954%0.535SS*.  trans-76.3111.8164.5-160-171.1-131.7-175.710.5103R139 K143R139-R141 PolarHBondContact O-N 3Å; R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 HydrophobicContact CB-CG 4.01Å; R141-K143 HydrophobicContact CG-CG 4.01Å; R141-K143 PolarHBondContact O-N 3.46Å
142R47Very low52.2Low251 Ų251114.1 Ų114.195%0.94755%0.552SS**  trans-48.9100.1160.5-75.8178.2143.5170.8-6106.1S140S140-R142 PolarHBondContact O-N 3.06Å
143K47.7Very low53.1Low115 Ų115117.5 Ų117.550%0.556%0.561SS.*  trans-116.3130.2174.6-66.9-165.7-173.2179.90105.7R141 L145R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 HydrophobicContact CB-CG 4.01Å; R141-K143 HydrophobicContact CG-CG 4.01Å; R141-K143 PolarHBondContact O-N 3.46Å; K143-L145 PolarHBondContact O-N 3Å
144L52.6Low53.7Low154 Ų154115.6 Ų115.681%0.80654%0.541SS*.  trans-37.7131.6176.2-67.7157.1000109.8L146L144-L146 HydrophobicContact CB-CD1 4.11Å; L144-L146 PolarHBondContact O-N 2.95Å
145L53.6Low53.9Low109 Ų109116 Ų11657%0.57154%0.543SS*.  trans-68.270.9-177.7-153.8155.9000107.9K143 E147K143-L145 PolarHBondContact O-N 3Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 HydrophobicContact CD2-CG 3.55Å; L145-E147 PolarHBondContact O-N 3.29Å
146L55.1Low54.1Low115 Ų115117.4 Ų117.460%0.60255%0.551SS**  trans-76.695.2169.4-84.7116000106.5L144L144-L146 HydrophobicContact CB-CD1 4.11Å; L144-L146 PolarHBondContact O-N 2.95Å
147E59.4Low54.3Low93 Ų93118.1 Ų118.144%0.43555%0.546SS..  trans-49.6138.9175.3-62.1175.4164.300110.1R43 L145 E151R43-E147 WeakPolarHBondContact CD-O 3.25Å; R43-E147 PolarHBondContact NH1-O 3.06Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 HydrophobicContact CD2-CG 3.55Å; L145-E147 PolarHBondContact O-N 3.29Å; E147-E151 VanDerWaalsContact CA-CD 3.46Å; E147-E151 WeakPolarHBondContact CA-OE1 3.11Å; E147-E151 HydrophobicContact CB-CG 4.4Å; E147-E151 VanDerWaalsContact CB-OE2 3.31Å; E147-E151 WeakPolarHBondContact CB-OE2 3.38Å; E147-E151 WeakPolarHBondContact CG-OE2 3.16Å
148E61Low54.5Low7 Ų7115.8 Ų115.83%0.03354%0.543CS..  trans-62.4148.8169.9-60.9165.1-169.400109.8P46 S103 F105 W106 T150 E151P46-E148 WeakPolarHBondContact CG-OE2 3.46Å; S103-E148 VanDerWaalsContact C-OE1 3.31Å; S103-E148 VanDerWaalsContact CA-OE1 3.26Å; S103-E148 WeakPolarHBondContact CA-OE1 3.47Å; S103-E148 VanDerWaalsContact CB-CD 3.44Å; S103-E148 WeakPolarHBondContact CB-OE1 3.35Å; S103-E148 VanDerWaalsContact OG-CD 3.26Å; S103-E148 WeakPolarHBondContact OG-CG 3.38Å; S103-E148 PolarHBondContact OG-OE1 2.95Å; F105-E148 HydrophobicContact CB-CG 4.2Å; F105-E148 VanDerWaalsContact CB-OE1 3.29Å; F105-E148 WeakPolarHBondContact CB-OE1 3.47Å; W106-E148 PolarHBondContact NE1-OE1 3.07Å; W106-E148 PolarHBondContact NE1-OE2 2.99Å; E148-T150 WeakPolarHBondContact CB-OG1 3.48Å; E148-T150 PolarHBondContact O-N 3.13Å; E148-T150 PolarHBondContact OE2-OG1 2.87Å; E148-T150 VanDerWaalsContact OE2-OG1 3.11Å; E148-E151 HydrophobicContact CB-CG 3.83Å; E148-E151 HydrophobicContact CG-CG 4.5Å; E148-E151 VanDerWaalsContact N-CD 3.27Å; E148-E151 PolarHBondContact N-OE1 3Å; E148-E151 PolarHBondContact O-N 3.5Å; E148-E151 VanDerWaalsContact O-N 3.1Å
149S59.4Low54.8Low38 Ų38117.2 Ų117.227%0.26654%0.54SS..THydrogen-bonded Turntrans-55.4-23.3168.657.60000112.3D41D41-S149 WeakPolarHBondContact OD2-CB 3.37Å
150T62.7Low55.3Low15 Ų15111.4 Ų111.49%0.09252%0.524CS..THydrogen-bonded Turntrans-88.9-8.1-179.350.10000115.2E148 K152 Q153 F154E148-T150 WeakPolarHBondContact CB-OG1 3.48Å; E148-T150 PolarHBondContact O-N 3.13Å; E148-T150 PolarHBondContact OE2-OG1 2.87Å; E148-T150 VanDerWaalsContact OE2-OG1 3.11Å; T150-K152 VanDerWaalsContact C-N 3.31Å; T150-K152 PolarHBondContact O-N 3.13Å; T150-Q153 PolarHBondContact O-N 2.69Å; T150-F154 WeakPolarHBondContact O-CD2 3.42Å
151E59.4Low55.8Low19 Ų19110.5 Ų110.59%0.08950%0.501CS..G310 helixtrans-60.7-40.5-174.1-65.6-173.2-169.900112.3F105 R108 E147 E148 Q153 F154F105-E151 HydrophobicContact CB-CG 4.36Å; F105-E151 VanDerWaalsContact CB-OE1 3.25Å; F105-E151 WeakPolarHBondContact CB-OE1 3.5Å; F105-E151 HydrophobicContact CD1-CG 4.05Å; F105-E151 HydrophobicContact CD2-CG 3.66Å; F105-E151 WeakPolarHBondContact CD2-OE1 3.25Å; F105-E151 WeakPolarHBondContact CD2-OE2 3.34Å; F105-E151 HydrophobicContact CE1-CG 4.17Å; F105-E151 HydrophobicContact CE2-CB 4.33Å; F105-E151 VanDerWaalsContact CE2-CD 3.48Å; F105-E151 HydrophobicContact CE2-CG 3.79Å; F105-E151 WeakPolarHBondContact CE2-OE2 3.46Å; F105-E151 HydrophobicContact CG-CG 3.77Å; F105-E151 VanDerWaalsContact CG-OE1 3.3Å; F105-E151 WeakPolarHBondContact CG-OE1 3.44Å; F105-E151 HydrophobicContact CZ-CB 4.33Å; F105-E151 HydrophobicContact CZ-CG 4.02Å; R108-E151 IonicContact NH2-OE1 3.66Å; E147-E151 VanDerWaalsContact CA-CD 3.46Å; E147-E151 WeakPolarHBondContact CA-OE1 3.11Å; E147-E151 HydrophobicContact CB-CG 4.4Å; E147-E151 VanDerWaalsContact CB-OE2 3.31Å; E147-E151 WeakPolarHBondContact CB-OE2 3.38Å; E147-E151 WeakPolarHBondContact CG-OE2 3.16Å; E148-E151 HydrophobicContact CB-CG 3.83Å; E148-E151 HydrophobicContact CG-CG 4.5Å; E148-E151 VanDerWaalsContact N-CD 3.27Å; E148-E151 PolarHBondContact N-OE1 3Å; E148-E151 PolarHBondContact O-N 3.5Å; E148-E151 VanDerWaalsContact O-N 3.1Å; E151-Q153 PolarHBondContact O-N 3.26Å; E151-F154 PolarHBondContact O-N 3.14Å
152K59.4Low56.6Low178 Ų178106.1 Ų106.177%0.77449%0.491SS*.G310 helixtrans-63.2-10.4-179.9-62.2-177.9179.9177.70115T150T150-K152 VanDerWaalsContact C-N 3.31Å; T150-K152 PolarHBondContact O-N 3.13Å
153Q63Low57.3Low133 Ų13395 Ų9562%0.62146%0.456SS*.G310 helixtrans-91-17.7-179.9-66.1-175.5-8.700113T150 E151T150-Q153 PolarHBondContact O-N 2.69Å; E151-Q153 PolarHBondContact O-N 3.26Å
154F58.9Low58.1Low76 Ų7693.3 Ų93.333%0.33345%0.452SS..THydrogen-bonded Turntrans-115.5-5.2-170.3-65.9-82.4000113.8W106 T150 E151W106-F154 HydrophobicContact CH2-CB 4.46Å; W106-F154 HydrophobicContact CH2-CD1 4.38Å; W106-F154 HydrophobicContact CH2-CD2 4.15Å; W106-F154 HydrophobicContact CH2-CE2 4.5Å; W106-F154 HydrophobicContact CH2-CG 4.09Å; W106-F154 HydrophobicContact CZ2-CD2 4.08Å; W106-F154 HydrophobicContact CZ2-CE2 4.25Å; W106-F154 HydrophobicContact CZ2-CG 4.48Å; T150-F154 WeakPolarHBondContact O-CD2 3.42Å; E151-F154 PolarHBondContact O-N 3.14Å
155F53.1Low58.6Low183 Ų18387.8 Ų87.880%0.80342%0.42SS*.  trans-139.40170.8-64.7-84.5000108.4F105F105-F155 HydrophobicContact CE1-CD2 4.49Å; F105-F155 AromaticContact CE1-CE2 3.95Å; F105-F155 HydrophobicContact CE1-CE2 3.95Å; F105-F155 AromaticContact CZ-CD2 3.78Å; F105-F155 HydrophobicContact CZ-CD2 3.78Å; F105-F155 AromaticContact CZ-CE2 3.43Å; F105-F155 HydrophobicContact CZ-CE2 3.43Å; F105-F155 VanDerWaalsContact CZ-CE2 3.43Å

Retrieved 155 of 155 residues in 381.6 ms (Link to these results)