A0A077Z3Z2_TRITR Loading...

Homeobox protein otx5

AlphaFold DB , UniProt , Accession A0A077Z3Z2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M47.1Very low52.6Low253 Ų253139.2 Ų139.2100%1.24684%0.843SS**  0111.90-63.6172179.100106
2A45.8Very low53.1Low94 Ų94137 Ų13778%0.77783%0.834SS**  cis-142.2136.18.400000105.7
3A44.6Very low52.4Low104 Ų104145.3 Ų145.386%0.8684%0.844SS**  59.393.563.700000113.9
4A56.8Low51.6Low102 Ų102149.3 Ų149.384%0.84384%0.84SS**  trans-144.797.4151.400000108.5
5A53.7Low51.3Low81 Ų81146.8 Ų146.867%0.66984%0.836SS**  trans-79.3136.3170.700000109.5L7A5-L7 HydrophobicContact CB-CD1 4Å
6Y56.5Low51.6Low238 Ų238141.9 Ų141.993%0.93381%0.812SS**  trans-111.6104.6153.2-96.1-89.5000107.5
7L58.7Low51.2Low143 Ų143136.9 Ų136.975%0.74980%0.798SS**  trans-70.1166.2169.4-9773.3000110.7A5A5-L7 HydrophobicContact CB-CD1 4Å
8K54.3Low51.3Low202 Ų202138.7 Ų138.788%0.87880%0.797SS**  trans91.6122.2144.9-139157.5177.6162.70113.2
9A51.4Low51.1Low85 Ų85140.1 Ų140.170%0.70280%0.795SS**  cis-150.1144.329.600000111.1
10A51.8Low50.7Low99 Ų99144.9 Ų144.982%0.81880%0.802SS**  trans-66.313016300000109.6
11T57.6Low50.7Low130 Ų130141.5 Ų141.580%0.79879%0.793SS**  trans-115.5120.7151.147.70000107.5
12P59.2Low51Low113 Ų113137.3 Ų137.373%0.73477%0.774SS**  trans-69.5148.1-178.930-32000109.9Y14P12-Y14 PolarHBondContact O-N 3.16Å
13Y43.6Very low50.9Low245 Ų245140.5 Ų140.596%0.96178%0.778SS**  trans-52.5101.7166.5-107.6-102.8000109
14Y41.2Very low51.1Low201 Ų201139.7 Ų139.779%0.78877%0.772SS**  trans-89.6105168.7-176.9-109000107.2P12 P16P12-Y14 PolarHBondContact O-N 3.16Å; Y14-P16 VanDerWaalsContact CD1-CD 3.41Å; Y14-P16 HydrophobicContact CD1-CG 3.82Å; Y14-P16 HydrophobicContact CD2-CG 4.45Å; Y14-P16 HydrophobicContact CE1-CG 3.17Å; Y14-P16 HydrophobicContact CE2-CG 3.89Å; Y14-P16 HydrophobicContact CG-CG 4.42Å; Y14-P16 WeakPolarHBondContact OH-CG 3.23Å
15S47.8Very low50.6Low112 Ų112138.2 Ų138.278%0.78377%0.766SS**  trans-98.4119.6164179.10000107.7
16P55.1Low50.6Low69 Ų69142.8 Ų142.845%0.44878%0.776SS.*  trans-129.3139.4139.10.820.8000111.1Y14Y14-P16 VanDerWaalsContact CD1-CD 3.41Å; Y14-P16 HydrophobicContact CD1-CG 3.82Å; Y14-P16 HydrophobicContact CD2-CG 4.45Å; Y14-P16 HydrophobicContact CE1-CG 3.17Å; Y14-P16 HydrophobicContact CE2-CG 3.89Å; Y14-P16 HydrophobicContact CG-CG 4.42Å; Y14-P16 WeakPolarHBondContact OH-CG 3.23Å
17G45Very low50.5Low56 Ų56137 Ų13758%0.57777%0.766SS**  trans-71.6-149.7176.800000114.2
18H53.3Low50Low170 Ų170137.5 Ų137.579%0.78777%0.769SS**  trans80.9130.8-170-39.2-69.6000111.5
19H47.9Very low50.2Low164 Ų164135.9 Ų135.976%0.75976%0.764SS**  cis-179.7118.610.428.8-137.2000106.7
20Y42Very low50.4Low237 Ų237136.8 Ų136.893%0.92976%0.763SS**  trans-119.876.1134.854.8-94.9000105.6
21A51.1Low50.4Low73 Ų73139.4 Ų139.460%0.60377%0.768SS**  trans-78.7145163.300000108.1
22L53.1Low50.2Low165 Ų165137.7 Ų137.786%0.86476%0.761SS**  trans76.5107.1164.3-57.7148.7000113.5
23N43.8Very low49.7Very low161 Ų161136 Ų13686%0.86176%0.757SS**  -136.2134.661.9-156.612.6000112.9
24A49.8Very low50.2Low87 Ų87134.7 Ų134.772%0.71976%0.757SS**  trans-71135.4-173.300000112.3
25G46.6Very low50.8Low71 Ų71128.6 Ų128.673%0.73275%0.748SS**  trans-161.875.5170.800000108.3V27G25-V27 PolarHBondContact O-N 3.47Å
26M52.2Low50.9Low177 Ų177129.4 Ų129.487%0.87275%0.753SS**  trans-59.5118.1-179.8-60.7162.590.900110.1
27V55.3Low50.5Low118 Ų118129.1 Ų129.172%0.71576%0.763SS**  trans-149.8109.7147.7-97.10000107.3G25 H29G25-V27 PolarHBondContact O-N 3.47Å; V27-H29 PolarHBondContact O-N 3.4Å
28D48.9Very low51.1Low152 Ų152134.1 Ų134.181%0.81378%0.777SS**  trans-55.4111.3-178.6-57.5-89000112
29H57.8Low51.7Low168 Ų168133.6 Ų133.678%0.77878%0.779SS**  trans-109.1111.9160.5-72.5-56.3000108.3V27 V31V27-H29 PolarHBondContact O-N 3.4Å; H29-V31 PolarHBondContact O-N 3.48Å
30P55.5Low52.6Low104 Ų104131.6 Ų131.668%0.67578%0.781SS**  trans-62.1125.6-176.325.2-33.3000109.4S32P30-S32 PolarHBondContact O-N 3.5Å
31V50.9Low53.7Low154 Ų154131.5 Ų131.593%0.93378%0.779SS**  trans-66.566.1158.260.60000108.3H29H29-V31 PolarHBondContact O-N 3.48Å
32S54.6Low54.8Low94 Ų94137.8 Ų137.866%0.65779%0.792SS**  trans-99.8101.4175.1-77.90000108.6P30P30-S32 PolarHBondContact O-N 3.5Å
33A47.4Very low56.1Low77 Ų77137.5 Ų137.564%0.63679%0.786SS**  trans49.591.8132.600000115.8A35A33-A35 HydrophobicContact CB-CB 3.98Å; A33-A35 PolarHBondContact O-N 3.05Å
34F54.1Low58Low219 Ų219138.9 Ų138.996%0.96178%0.78SS**  trans-69.656.9144.245.2-89.1000109.3
35A54.5Low59.6Low73 Ų73145.2 Ų145.260%0.60379%0.785SS**  trans-80.5112.1164.600000107.3A33A33-A35 HydrophobicContact CB-CB 3.98Å; A33-A35 PolarHBondContact O-N 3.05Å
36S49.7Very low61.7Low128 Ų128148.5 Ų148.590%0.89578%0.781SS**  trans34.3100.3142.9-57.60000117.7
37G47.1Very low63.7Low64 Ų64149.5 Ų149.566%0.6678%0.775SS**  trans177.485.5165.500000114.9L39G37-L39 PolarHBondContact O-N 2.9Å
38N58.5Low65.5Low161 Ų161145.4 Ų145.486%0.86175%0.751SS**  trans59.547.2148.4-63.911.9000120.4P40N38-P40 WeakPolarHBondContact O-CD 3.3Å
39L65.6Low67.8Low158 Ų158144 Ų14483%0.82775%0.748SS**  trans-68.8126.8152.5-74.498.9000108.6G37 R41G37-L39 PolarHBondContact O-N 2.9Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.28Å
40P66.4Low69.7Low123 Ų123138.6 Ų138.680%0.79972%0.722SS**  trans-63.298.9175.325.6-32000107.9N38 K42N38-P40 WeakPolarHBondContact O-CD 3.3Å; P40-K42 PolarHBondContact O-N 2.96Å
41R65Low71.7Confident235 Ų235136.3 Ų136.389%0.88771%0.709SS**  trans-53.8117.6173.3-70.8-176-70.2169.6-2.5106.5L39 Q43L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.28Å; R41-Q43 PolarHBondContact O-N 2.82Å
42K73.5Confident74Confident204 Ų204136.8 Ų136.889%0.88769%0.694SS**  trans-38112.9176.3-113.492.4167.4-172.40108.4P40 R44P40-K42 PolarHBondContact O-N 2.96Å; K42-R44 PolarHBondContact O-N 3.07Å
43Q80.7Confident76.1Confident159 Ų159135.3 Ų135.374%0.74369%0.687SS**  trans-58.6113178.6-177.665.423.600107.5R41 R45R41-Q43 PolarHBondContact O-N 2.82Å; Q43-R45 PolarHBondContact O-N 3.09Å
44R84.4Confident78.5Confident190 Ų190133.4 Ų133.472%0.71767%0.665SS**PPolyproline II helixtrans-63.1129.8177.8179.6170.8174.2-110.46.2107.8K42 E46K42-R44 PolarHBondContact O-N 3.07Å; R44-E46 PolarHBondContact O-N 3.11Å
45R83.4Confident80.6Confident221 Ų221125 Ų12583%0.83463%0.63SS**PPolyproline II helixtrans-57.1136.3176.3-73.6179-178.8179.2-0.3110.1Q43Q43-R45 PolarHBondContact O-N 3.09Å
46E90.7Very high82.7Confident139 Ų139124.9 Ų124.965%0.6562%0.619SS**PPolyproline II helixtrans-58.1139.1178.4-59.8-52.6145.100111.6R44 R86R44-E46 PolarHBondContact O-N 3.11Å; E46-R86 PolarHBondContact O-NH2 3.43Å
47R92.7Very high85Confident198 Ų198121.2 Ų121.275%0.74759%0.589SS**PPolyproline II helixtrans-90.8129.6-179.8-176.2178.8-177.1-1762.1109.4
48T95Very high87.5Confident33 Ų33118.1 Ų118.120%0.20256%0.557CS.*PPolyproline II helixtrans-77.1131.1172.4-49.90000110.8F50 L82 R86T48-F50 HydrophobicContact CG2-CE1 4.26Å; T48-F50 HydrophobicContact CG2-CZ 4.26Å; T48-L82 HydrophobicContact CG2-CD1 4.09Å; T48-L82 HydrophobicContact CG2-CD2 3.6Å; T48-R86 WeakPolarHBondContact OG1-CD 3.4Å; T48-R86 WeakPolarHBondContact OG1-CG 3.4Å; T48-R86 PolarHBondContact OG1-NE 2.92Å
49T96.9Very high89.4Confident122 Ų122114.7 Ų114.775%0.74854%0.536SS*.  trans-106.2128.1166.4-590000108.1
50F97Very high91Very high55 Ų55110.1 Ų110.124%0.24152%0.517CS..  trans-91.1135.6-179.5-57.3-89.7000110.1T48 Q54 L55 L58 L82 W90T48-F50 HydrophobicContact CG2-CE1 4.26Å; T48-F50 HydrophobicContact CG2-CZ 4.26Å; F50-Q54 VanDerWaalsContact CA-OE1 3.31Å; F50-L55 HydrophobicContact CB-CD1 4.49Å; F50-L55 HydrophobicContact CB-CD2 3.72Å; F50-L55 HydrophobicContact CB-CG 3.85Å; F50-L55 HydrophobicContact CD2-CD2 4.5Å; F50-L55 HydrophobicContact CG-CD2 4.12Å; F50-L58 HydrophobicContact CD1-CD1 3.91Å; F50-L58 HydrophobicContact CE1-CD1 4.05Å; F50-L82 HydrophobicContact CD1-CD1 3.42Å; F50-L82 VanDerWaalsContact CD1-CD1 3.42Å; F50-L82 HydrophobicContact CE1-CD1 3.32Å; F50-L82 HydrophobicContact CZ-CD1 4.48Å; F50-W90 HydrophobicContact CE1-CB 4.41Å; F50-W90 AromaticContact CE1-CD1 3.98Å; F50-W90 HydrophobicContact CE1-CG 4.45Å; F50-W90 AromaticContact CE2-CD1 3.73Å; F50-W90 HydrophobicContact CZ-CB 3.99Å; F50-W90 AromaticContact CZ-CD1 3.66Å; F50-W90 HydrophobicContact CZ-CG 4.18Å
51S98.4Very high92.5Very high56 Ų56105.2 Ų105.239%0.39248%0.484SS..  trans-73.5163.4168.884.50000110.8A53 Q54 L55S51-A53 PolarHBondContact O-N 3.48Å; S51-Q54 PolarHBondContact O-N 3.31Å; S51-Q54 VanDerWaalsContact OG-CG 3.31Å; S51-Q54 WeakPolarHBondContact OG-CG 3.33Å; S51-Q54 PolarHBondContact OG-N 3.02Å; S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.36Å
52R98.3Very high94.1Very high164 Ų16494.6 Ų94.662%0.61944%0.444SS*.Hα-helixtrans-59.4-46.1178.7-177.365.8-158.9-172.78.4112.2Q54 L55 D56R52-Q54 VanDerWaalsContact C-N 3.29Å; R52-Q54 PolarHBondContact O-N 3.24Å; R52-L55 WeakPolarHBondContact O-CB 3.36Å; R52-L55 PolarHBondContact O-N 3.02Å; R52-L55 VanDerWaalsContact O-N 3.08Å; R52-D56 IonicContact CZ-OD1 2.83Å; R52-D56 VanDerWaalsContact CZ-OD1 3.27Å; R52-D56 IonicContact NE-OD1 3.27Å; R52-D56 PolarHBondContact NE-OD1 3.07Å; R52-D56 IonicContact NE-OD2 3.65Å; R52-D56 IonicContact NH2-OD1 3.01Å; R52-D56 PolarHBondContact NH2-OD1 3.12Å; R52-D56 PolarHBondContact O-N 3.49Å
53A98.3Very high95.3Very high62 Ų6288.1 Ų88.151%0.51244%0.435SS..Hα-helixtrans-60.3-37.7178.200000112.6S51 D56 I57S51-A53 PolarHBondContact O-N 3.48Å; A53-D56 PolarHBondContact O-N 3.27Å; A53-I57 WeakPolarHBondContact O-CG1 3.41Å; A53-I57 PolarHBondContact O-N 2.75Å
54Q98.5Very high96.1Very high37 Ų3790 Ų9017%0.17344%0.435CS..Hα-helixtrans-65.7-42175-65.4173.2-28.200111.3F50 S51 R52 I57 L58 I80F50-Q54 VanDerWaalsContact CA-OE1 3.31Å; S51-Q54 PolarHBondContact O-N 3.31Å; S51-Q54 VanDerWaalsContact OG-CG 3.31Å; S51-Q54 WeakPolarHBondContact OG-CG 3.33Å; S51-Q54 PolarHBondContact OG-N 3.02Å; R52-Q54 VanDerWaalsContact C-N 3.29Å; R52-Q54 PolarHBondContact O-N 3.24Å; Q54-I57 PolarHBondContact O-N 3.21Å; Q54-L58 WeakPolarHBondContact O-CB 3.27Å; Q54-L58 VanDerWaalsContact O-CG 3.26Å; Q54-L58 WeakPolarHBondContact O-CG 3.46Å; Q54-L58 PolarHBondContact O-N 2.79Å; Q54-I80 HydrophobicContact CB-CB 4.4Å; Q54-I80 HydrophobicContact CG-CB 4.05Å; Q54-I80 PolarHBondContact NE2-O 2.94Å
55L98.6Very high96.8Very high44 Ų4483.2 Ų83.223%0.2342%0.415CS..Hα-helixtrans-63.1-42.2176.4-68.3173.7000111.9F50 S51 R52 I57 L58 E59F50-L55 HydrophobicContact CB-CD1 4.49Å; F50-L55 HydrophobicContact CB-CD2 3.72Å; F50-L55 HydrophobicContact CB-CG 3.85Å; F50-L55 HydrophobicContact CD2-CD2 4.5Å; F50-L55 HydrophobicContact CG-CD2 4.12Å; S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.36Å; R52-L55 WeakPolarHBondContact O-CB 3.36Å; R52-L55 PolarHBondContact O-N 3.02Å; R52-L55 VanDerWaalsContact O-N 3.08Å; L55-I57 VanDerWaalsContact C-N 3.31Å; L55-I57 PolarHBondContact O-N 2.75Å; L55-L58 PolarHBondContact O-N 3.15Å; L55-E59 WeakPolarHBondContact O-CB 3.41Å; L55-E59 WeakPolarHBondContact O-CG 3.38Å; L55-E59 PolarHBondContact O-N 3.07Å
56D98.5Very high97.5Very high70 Ų7077 Ų7737%0.37440%0.395SS..Hα-helixtrans-62.3-39.4179.7-63.1-35000111.4R52 A53 S60R52-D56 IonicContact CZ-OD1 2.83Å; R52-D56 VanDerWaalsContact CZ-OD1 3.27Å; R52-D56 IonicContact NE-OD1 3.27Å; R52-D56 PolarHBondContact NE-OD1 3.07Å; R52-D56 IonicContact NE-OD2 3.65Å; R52-D56 IonicContact NH2-OD1 3.01Å; R52-D56 PolarHBondContact NH2-OD1 3.12Å; R52-D56 PolarHBondContact O-N 3.49Å; A53-D56 PolarHBondContact O-N 3.27Å; D56-S60 WeakPolarHBondContact O-CB 3.24Å; D56-S60 PolarHBondContact O-N 3.12Å
57I98.4Very high97.8Very high50 Ų5078 Ų7826%0.25639%0.394SS..Hα-helixtrans-65.5-47.2174.2-65166.4000111A53 Q54 L55 E59 S60 I61 L76 K79 I80A53-I57 WeakPolarHBondContact O-CG1 3.41Å; A53-I57 PolarHBondContact O-N 2.75Å; Q54-I57 PolarHBondContact O-N 3.21Å; L55-I57 VanDerWaalsContact C-N 3.31Å; L55-I57 PolarHBondContact O-N 2.75Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 2.93Å; I57-S60 WeakPolarHBondContact O-CB 3.19Å; I57-S60 PolarHBondContact O-N 3.39Å; I57-I61 PolarHBondContact O-N 3.22Å; I57-I61 VanDerWaalsContact O-N 3.11Å; I57-L76 HydrophobicContact CG2-CD2 3.89Å; I57-K79 HydrophobicContact CG2-CD 4.39Å; I57-I80 HydrophobicContact CB-CG2 4.17Å; I57-I80 HydrophobicContact CD1-CG2 3.97Å; I57-I80 HydrophobicContact CG2-CG2 3.95Å
58L98.7Very high98.1Very high0 Ų068.9 Ų68.90%036%0.361CS..Hα-helixtrans-61.6-41.6179.3-73.5167.2000111.7F50 Q54 L55 I61 F62 I80 V87 W90 F91F50-L58 HydrophobicContact CD1-CD1 3.91Å; F50-L58 HydrophobicContact CE1-CD1 4.05Å; Q54-L58 WeakPolarHBondContact O-CB 3.27Å; Q54-L58 VanDerWaalsContact O-CG 3.26Å; Q54-L58 WeakPolarHBondContact O-CG 3.46Å; Q54-L58 PolarHBondContact O-N 2.79Å; L55-L58 PolarHBondContact O-N 3.15Å; L58-I61 PolarHBondContact O-N 3.37Å; L58-F62 WeakPolarHBondContact O-CB 3.34Å; L58-F62 PolarHBondContact O-N 3.34Å; L58-I80 HydrophobicContact CD1-CD1 4.05Å; L58-I80 HydrophobicContact CD2-CD1 3.85Å; L58-I80 HydrophobicContact CG-CD1 3.99Å; L58-V87 HydrophobicContact CD2-CG1 4.15Å; L58-W90 HydrophobicContact CB-CD2 4.09Å; L58-W90 HydrophobicContact CB-CE3 4.02Å; L58-W90 HydrophobicContact CB-CH2 3.57Å; L58-W90 HydrophobicContact CB-CZ2 3.6Å; L58-W90 HydrophobicContact CB-CZ3 3.78Å; L58-W90 HydrophobicContact CD1-CD2 3.87Å; L58-W90 HydrophobicContact CD1-CE3 4.44Å; L58-W90 HydrophobicContact CD1-CG 3.95Å; L58-W90 HydrophobicContact CD1-CZ2 4.42Å; L58-W90 HydrophobicContact CD2-CD2 4.29Å; L58-W90 HydrophobicContact CD2-CE3 4.08Å; L58-W90 HydrophobicContact CD2-CZ3 4.47Å; L58-W90 HydrophobicContact CG-CD2 4.32Å; L58-W90 HydrophobicContact CG-CE3 4.42Å; L58-F91 HydrophobicContact CD2-CE2 3.99Å
59E98.6Very high98.3Very high88 Ų8872.1 Ų72.141%0.41138%0.377SS..Hα-helixtrans-69-36.8176.1-72.7-172.6-177.300112.3L55 I57 I61 F62 G63 W90L55-E59 WeakPolarHBondContact O-CB 3.41Å; L55-E59 WeakPolarHBondContact O-CG 3.38Å; L55-E59 PolarHBondContact O-N 3.07Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 2.93Å; E59-I61 PolarHBondContact O-N 3.34Å; E59-F62 WeakPolarHBondContact O-CB 3.44Å; E59-F62 PolarHBondContact O-N 3.36Å; E59-G63 PolarHBondContact O-N 3.3Å; E59-W90 HydrophobicContact CG-CH2 4.13Å; E59-W90 HydrophobicContact CG-CZ2 4.07Å
60S98.4Very high98.3Very high63 Ų6369.1 Ų69.144%0.44136%0.356SS..Hα-helixtrans-58.2-45.9173.2-1770000111.8D56 I57 G63 R64D56-S60 WeakPolarHBondContact O-CB 3.24Å; D56-S60 PolarHBondContact O-N 3.12Å; I57-S60 WeakPolarHBondContact O-CB 3.19Å; I57-S60 PolarHBondContact O-N 3.39Å; S60-G63 PolarHBondContact O-N 3.41Å; S60-R64 PolarHBondContact O-N 2.95Å
61I98.4Very high98.4Very high19 Ų1973.8 Ų73.810%0.09738%0.376CS..Hα-helixtrans-70.4-38.8175.8-59.4-54.9000111.7I57 L58 E59 G63 R64 T65 L72 L76 F91I57-I61 PolarHBondContact O-N 3.22Å; I57-I61 VanDerWaalsContact O-N 3.11Å; L58-I61 PolarHBondContact O-N 3.37Å; E59-I61 PolarHBondContact O-N 3.34Å; I61-G63 PolarHBondContact O-N 2.84Å; I61-R64 CarbonylContact O-C 3.46Å; I61-R64 WeakPolarHBondContact O-CA 3.44Å; I61-R64 WeakPolarHBondContact O-CB 3.46Å; I61-R64 PolarHBondContact O-N 3.48Å; I61-T65 HydrophobicContact CG2-CG2 4.19Å; I61-T65 PolarHBondContact O-N 3.5Å; I61-L72 HydrophobicContact CG2-CD2 4.02Å; I61-L76 HydrophobicContact CB-CD1 4.14Å; I61-L76 HydrophobicContact CD1-CD2 4.34Å; I61-L76 HydrophobicContact CG1-CD1 3.93Å; I61-L76 HydrophobicContact CG1-CD2 3.5Å; I61-L76 HydrophobicContact CG1-CG 4.22Å; I61-L76 HydrophobicContact CG2-CD1 4Å; I61-F91 HydrophobicContact CB-CZ 4.19Å; I61-F91 HydrophobicContact CG2-CE1 4.49Å; I61-F91 HydrophobicContact CG2-CZ 3.95Å
62F98.6Very high98.4Very high13 Ų1373.6 Ų73.66%0.05737%0.37CS..Hα-helixtrans-56.1-38.5174.8-170.6-95.5000111.6L58 E59 R64 T65 H66 W90 F91 R94 R95 A98L58-F62 WeakPolarHBondContact O-CB 3.34Å; L58-F62 PolarHBondContact O-N 3.34Å; E59-F62 WeakPolarHBondContact O-CB 3.44Å; E59-F62 PolarHBondContact O-N 3.36Å; F62-R64 PolarHBondContact O-N 3.04Å; F62-T65 WeakPolarHBondContact CA-O 3.21Å; F62-T65 CarbonylContact O-C 3.6Å; F62-T65 PolarHBondContact O-N 2.96Å; F62-H66 AromaticContact CD1-CD2 3.59Å; F62-H66 AromaticContact CD1-NE2 3.75Å; F62-H66 AromaticContact CD2-CD2 3.77Å; F62-H66 AromaticContact CE1-CD2 3.27Å; F62-H66 WeakPolarHBondContact CE1-CD2 3.44Å; F62-H66 AromaticContact CE1-NE2 3.24Å; F62-H66 WeakPolarHBondContact CE1-NE2 3.31Å; F62-H66 HydrophobicContact CE2-CB 4.03Å; F62-H66 AromaticContact CE2-CD2 3.46Å; F62-H66 VanDerWaalsContact CE2-CD2 3.46Å; F62-H66 WeakPolarHBondContact CE2-CD2 3.37Å; F62-H66 AromaticContact CE2-CG 3.88Å; F62-H66 AromaticContact CG-CD2 3.83Å; F62-H66 HydrophobicContact CZ-CB 4.36Å; F62-H66 AromaticContact CZ-CD2 3.19Å; F62-H66 WeakPolarHBondContact CZ-CD2 3.3Å; F62-H66 AromaticContact CZ-CG 3.75Å; F62-H66 AromaticContact CZ-NE2 3.52Å; F62-H66 PolarHBondContact O-CD2 3.46Å; F62-W90 HydrophobicContact CB-CH2 4.22Å; F62-W90 HydrophobicContact CB-CZ3 4.26Å; F62-W90 HydrophobicContact CD2-CZ3 4.37Å; F62-F91 HydrophobicContact CB-CE1 4.18Å; F62-F91 AromaticContact CD2-CD1 3.94Å; F62-F91 HydrophobicContact CD2-CD1 3.94Å; F62-F91 AromaticContact CD2-CE1 3.97Å; F62-F91 HydrophobicContact CD2-CE1 3.97Å; F62-R94 HydrophobicContact CD1-CG 4.08Å; F62-R94 HydrophobicContact CD2-CB 4.23Å; F62-R94 HydrophobicContact CD2-CG 3.5Å; F62-R94 HydrophobicContact CE1-CG 3.99Å; F62-R94 HydrophobicContact CE2-CB 4.03Å; F62-R94 HydrophobicContact CE2-CG 3.41Å; F62-R94 VanDerWaalsContact CE2-CG 3.41Å; F62-R94 HydrophobicContact CG-CG 3.85Å; F62-R94 HydrophobicContact CZ-CG 3.67Å; F62-R95 HydrophobicContact CE2-CG 3.98Å; F62-A98 HydrophobicContact CZ-CB 4.21Å
63G98.4Very high98.4Very high67 Ų6767.8 Ų67.869%0.69135%0.349SS*.Hα-helixtrans-63-24.8173.600000114.6E59 S60 I61E59-G63 PolarHBondContact O-N 3.3Å; S60-G63 PolarHBondContact O-N 3.41Å; I61-G63 PolarHBondContact O-N 2.84Å
64R98.1Very high98.4Very high199 Ų19969.2 Ų69.275%0.75135%0.345SS*.Hα-helixtrans-88.5-43.6175.6-60.9178.2-175.1-180-1112.2S60 I61 F62S60-R64 PolarHBondContact O-N 2.95Å; I61-R64 CarbonylContact O-C 3.46Å; I61-R64 WeakPolarHBondContact O-CA 3.44Å; I61-R64 WeakPolarHBondContact O-CB 3.46Å; I61-R64 PolarHBondContact O-N 3.48Å; F62-R64 PolarHBondContact O-N 3.04Å
65T98.3Very high98.4Very high48 Ų4873.3 Ų73.329%0.29436%0.364SS..  trans-151.3133.1177.8178.70000111.6I61 F62 Y67 P68 L72I61-T65 HydrophobicContact CG2-CG2 4.19Å; I61-T65 PolarHBondContact O-N 3.5Å; F62-T65 WeakPolarHBondContact CA-O 3.21Å; F62-T65 CarbonylContact O-C 3.6Å; F62-T65 PolarHBondContact O-N 2.96Å; T65-Y67 VanDerWaalsContact C-N 3.32Å; T65-Y67 PolarHBondContact OG1-N 3.31Å; T65-Y67 VanDerWaalsContact OG1-N 3.15Å; T65-Y67 PolarHBondContact OG1-O 3.35Å; T65-P68 HydrophobicContact CG2-CB 4.3Å; T65-L72 HydrophobicContact CG2-CD2 3.92Å
66H98.2Very high98.4Very high90 Ų9071.5 Ų71.542%0.41735%0.354SS..SBendtrans-79.8-16173.1-61.4159.6000113F62 R95F62-H66 AromaticContact CD1-CD2 3.59Å; F62-H66 AromaticContact CD1-NE2 3.75Å; F62-H66 AromaticContact CD2-CD2 3.77Å; F62-H66 AromaticContact CE1-CD2 3.27Å; F62-H66 WeakPolarHBondContact CE1-CD2 3.44Å; F62-H66 AromaticContact CE1-NE2 3.24Å; F62-H66 WeakPolarHBondContact CE1-NE2 3.31Å; F62-H66 HydrophobicContact CE2-CB 4.03Å; F62-H66 AromaticContact CE2-CD2 3.46Å; F62-H66 VanDerWaalsContact CE2-CD2 3.46Å; F62-H66 WeakPolarHBondContact CE2-CD2 3.37Å; F62-H66 AromaticContact CE2-CG 3.88Å; F62-H66 AromaticContact CG-CD2 3.83Å; F62-H66 HydrophobicContact CZ-CB 4.36Å; F62-H66 AromaticContact CZ-CD2 3.19Å; F62-H66 WeakPolarHBondContact CZ-CD2 3.3Å; F62-H66 AromaticContact CZ-CG 3.75Å; F62-H66 AromaticContact CZ-NE2 3.52Å; F62-H66 PolarHBondContact O-CD2 3.46Å; H66-R95 HydrophobicContact CB-CG 4.28Å; H66-R95 WeakPolarHBondContact O-CD 3.37Å; H66-R95 PolarHBondContact O-NH1 3.27Å
67Y98.6Very high98.4Very high159 Ų15968.6 Ų68.662%0.62434%0.34SS*.SBendtrans-128.373.7-175.5-62.2-84.5000109.6T65T65-Y67 VanDerWaalsContact C-N 3.32Å; T65-Y67 PolarHBondContact OG1-N 3.31Å; T65-Y67 VanDerWaalsContact OG1-N 3.15Å; T65-Y67 PolarHBondContact OG1-O 3.35Å
68P98Very high98.4Very high7 Ų773.3 Ų73.35%0.04537%0.365CS..  trans-66.4137.6177.129-36.3000110.6T65 L72 R73 F91T65-P68 HydrophobicContact CG2-CB 4.3Å; P68-L72 HydrophobicContact CB-CB 4.27Å; P68-L72 HydrophobicContact CB-CD2 3.72Å; P68-L72 HydrophobicContact CB-CG 4Å; P68-R73 HydrophobicContact CB-CG 3.9Å; P68-R73 HydrophobicContact CG-CG 3.72Å; P68-R73 PolarHBondContact O-NH1 3.23Å; P68-F91 HydrophobicContact CG-CD1 3.71Å; P68-F91 HydrophobicContact CG-CD2 3.86Å; P68-F91 HydrophobicContact CG-CE1 3.7Å; P68-F91 HydrophobicContact CG-CE2 3.87Å; P68-F91 HydrophobicContact CG-CG 3.8Å; P68-F91 HydrophobicContact CG-CZ 3.8Å
69D98.5Very high98.4Very high101 Ų10180.2 Ų80.254%0.5440%0.395SS..  trans-70.1167.8174.7-169.923.2000112F71 L72 R73D69-F71 VanDerWaalsContact C-N 3.34Å; D69-F71 PolarHBondContact O-N 2.95Å; D69-L72 PolarHBondContact O-N 2.98Å; D69-R73 WeakPolarHBondContact O-CG 3.38Å; D69-R73 PolarHBondContact O-N 3.39Å
70I98.4Very high98.4Very high59 Ų5976.5 Ų76.530%0.30338%0.378SS..Hα-helixtrans-52.2-49.4-178.6-174.460.5000112L72 R73 E74 E84I70-L72 PolarHBondContact O-N 3.18Å; I70-R73 PolarHBondContact O-N 2.99Å; I70-R73 VanDerWaalsContact O-N 3.12Å; I70-E74 HydrophobicContact CD1-CG 4.35Å; I70-E74 WeakPolarHBondContact O-CG 3.38Å; I70-E74 PolarHBondContact O-N 3.37Å; I70-E84 HydrophobicContact CD1-CG 4.39Å
71F98.3Very high98.3Very high153 Ų15376.7 Ų76.767%0.67139%0.389SS*.Hα-helixtrans-61.8-42.7-179.2-61.8-67.2000112.4D69 R73 E74 E75D69-F71 VanDerWaalsContact C-N 3.34Å; D69-F71 PolarHBondContact O-N 2.95Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.01Å; F71-E74 PolarHBondContact O-N 3.47Å; F71-E75 PolarHBondContact O-N 3.38Å
72L98.4Very high98.3Very high52 Ų5277 Ų7727%0.27239%0.391SS..Hα-helixtrans-67.1-35.3177.5-179.258000111.5I61 T65 P68 D69 I70 L76I61-L72 HydrophobicContact CG2-CD2 4.02Å; T65-L72 HydrophobicContact CG2-CD2 3.92Å; P68-L72 HydrophobicContact CB-CB 4.27Å; P68-L72 HydrophobicContact CB-CD2 3.72Å; P68-L72 HydrophobicContact CB-CG 4Å; D69-L72 PolarHBondContact O-N 2.98Å; I70-L72 PolarHBondContact O-N 3.18Å; L72-L76 HydrophobicContact CG-CD1 4.47Å; L72-L76 WeakPolarHBondContact O-CB 3.23Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 3.38Å
73R98.7Very high98.2Very high43 Ų4380 Ų8016%0.16241%0.412CS..Hα-helixtrans-68.2-39.6175.3-68.2-165.4-52.4-87.31.4111.8P68 D69 I70 F71 L76 A77 E84 V87P68-R73 HydrophobicContact CB-CG 3.9Å; P68-R73 HydrophobicContact CG-CG 3.72Å; P68-R73 PolarHBondContact O-NH1 3.23Å; D69-R73 WeakPolarHBondContact O-CG 3.38Å; D69-R73 PolarHBondContact O-N 3.39Å; I70-R73 PolarHBondContact O-N 2.99Å; I70-R73 VanDerWaalsContact O-N 3.12Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.01Å; R73-L76 PolarHBondContact O-N 2.8Å; R73-A77 VanDerWaalsContact O-CB 3.23Å; R73-A77 WeakPolarHBondContact O-CB 3.44Å; R73-A77 PolarHBondContact O-N 3.48Å; R73-E84 HydrophobicContact CB-CG 4.09Å; R73-E84 IonicContact CZ-OE1 3.4Å; R73-E84 IonicContact NE-OE1 2.75Å; R73-E84 PolarHBondContact NE-OE1 3.4Å; R73-E84 IonicContact NH2-OE1 3.12Å; R73-E84 PolarHBondContact NH2-OE1 3.03Å; R73-E84 VanDerWaalsContact NH2-OE1 3.12Å; R73-V87 HydrophobicContact CB-CG1 4.37Å; R73-V87 HydrophobicContact CG-CG1 4.34Å
74E98.7Very high98.2Very high91 Ų9179 Ų7943%0.42539%0.389SS..Hα-helixtrans-65.8-44.9176.1-71.2177.3161.900111.8I70 F71 L76 A77 L78 E84I70-E74 HydrophobicContact CD1-CG 4.35Å; I70-E74 WeakPolarHBondContact O-CG 3.38Å; I70-E74 PolarHBondContact O-N 3.37Å; F71-E74 PolarHBondContact O-N 3.47Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.95Å; E74-A77 WeakPolarHBondContact O-CB 3.5Å; E74-A77 PolarHBondContact O-N 2.91Å; E74-L78 WeakPolarHBondContact O-CG 3.45Å; E74-L78 PolarHBondContact O-N 3.32Å; E74-E84 HydrophobicContact CG-CG 4.24Å
75E98.5Very high98.2Very high123 Ų12372.2 Ų72.258%0.57537%0.372SS*.Hα-helixtrans-58.1-45.1174.2-171.9-169.2167.100111.3F71 L78 K79F71-E75 PolarHBondContact O-N 3.38Å; E75-L78 PolarHBondContact O-N 2.89Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 3.45Å
76L98.3Very high98.2Very high7 Ų773.2 Ų73.24%0.03737%0.371CS..Hα-helixtrans-63.7-43.2176.6-75.7171.9000112.7I57 I61 L72 R73 E74 L78 K79 I80 V87 F91I57-L76 HydrophobicContact CG2-CD2 3.89Å; I61-L76 HydrophobicContact CB-CD1 4.14Å; I61-L76 HydrophobicContact CD1-CD2 4.34Å; I61-L76 HydrophobicContact CG1-CD1 3.93Å; I61-L76 HydrophobicContact CG1-CD2 3.5Å; I61-L76 HydrophobicContact CG1-CG 4.22Å; I61-L76 HydrophobicContact CG2-CD1 4Å; L72-L76 HydrophobicContact CG-CD1 4.47Å; L72-L76 WeakPolarHBondContact O-CB 3.23Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 3.38Å; R73-L76 PolarHBondContact O-N 2.8Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.95Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 2.95Å; L76-K79 PolarHBondContact O-N 3.09Å; L76-K79 VanDerWaalsContact O-N 3.15Å; L76-I80 VanDerWaalsContact O-CG1 3.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.25Å; L76-I80 PolarHBondContact O-N 2.84Å; L76-V87 HydrophobicContact CB-CG1 4.37Å; L76-V87 HydrophobicContact CD1-CG1 4.34Å; L76-F91 HydrophobicContact CD1-CE2 4.02Å; L76-F91 HydrophobicContact CD1-CZ 4.23Å
77A98.6Very high98.2Very high8 Ų869 Ų697%0.06635%0.351CS..Hα-helixtrans-56.6-46.8179.200000111R73 E74 G81 L82 E84 V87R73-A77 VanDerWaalsContact O-CB 3.23Å; R73-A77 WeakPolarHBondContact O-CB 3.44Å; R73-A77 PolarHBondContact O-N 3.48Å; E74-A77 WeakPolarHBondContact O-CB 3.5Å; E74-A77 PolarHBondContact O-N 2.91Å; A77-G81 PolarHBondContact O-N 3.07Å; A77-L82 CarbonylContact C-O 3.55Å; A77-L82 WeakPolarHBondContact CA-O 3.35Å; A77-L82 VanDerWaalsContact CB-O 3.23Å; A77-L82 WeakPolarHBondContact CB-O 3.19Å; A77-L82 PolarHBondContact O-N 2.91Å; A77-L82 VanDerWaalsContact O-O 3.12Å; A77-E84 HydrophobicContact CB-CB 4.36Å; A77-V87 HydrophobicContact CB-CG2 4.04Å
78L98.4Very high98.2Very high150 Ų15066 Ų6679%0.78534%0.343SS*.Hα-helixtrans-61.3-47.4173.7-66.4173.9000111.5E74 E75 L76 I80 G81E74-L78 WeakPolarHBondContact O-CG 3.45Å; E74-L78 PolarHBondContact O-N 3.32Å; E75-L78 PolarHBondContact O-N 2.89Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 2.95Å; L78-I80 VanDerWaalsContact C-N 3.33Å; L78-I80 PolarHBondContact O-N 3.46Å; L78-G81 PolarHBondContact O-N 3.24Å
79K98Very high98.2Very high144 Ų14468.5 Ų68.563%0.62636%0.358SS*.Hα-helixtrans-61.6-36.5-177.6-174.2169.7-175.1167.60113.8I57 E75 L76I57-K79 HydrophobicContact CG2-CD 4.39Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 3.45Å; L76-K79 PolarHBondContact O-N 3.09Å; L76-K79 VanDerWaalsContact O-N 3.15Å
80I97.9Very high98.2Very high11 Ų1164.9 Ų64.96%0.05634%0.337CS..Hα-helixtrans-101.1-0.4-17774.2-174.1000113.6Q54 I57 L58 L76 L78 L82 V87Q54-I80 HydrophobicContact CB-CB 4.4Å; Q54-I80 HydrophobicContact CG-CB 4.05Å; Q54-I80 PolarHBondContact NE2-O 2.94Å; I57-I80 HydrophobicContact CB-CG2 4.17Å; I57-I80 HydrophobicContact CD1-CG2 3.97Å; I57-I80 HydrophobicContact CG2-CG2 3.95Å; L58-I80 HydrophobicContact CD1-CD1 4.05Å; L58-I80 HydrophobicContact CD2-CD1 3.85Å; L58-I80 HydrophobicContact CG-CD1 3.99Å; L76-I80 VanDerWaalsContact O-CG1 3.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.25Å; L76-I80 PolarHBondContact O-N 2.84Å; L78-I80 VanDerWaalsContact C-N 3.33Å; L78-I80 PolarHBondContact O-N 3.46Å; I80-L82 HydrophobicContact CD1-CB 4.32Å; I80-L82 HydrophobicContact CD1-CD1 3.78Å; I80-L82 HydrophobicContact CD1-CG 4.28Å; I80-L82 HydrophobicContact CG1-CB 3.96Å; I80-L82 HydrophobicContact CG1-CD1 3.98Å; I80-L82 HydrophobicContact CG1-CG 3.93Å; I80-V87 HydrophobicContact CD1-CG2 3.96Å
81G98Very high98.3Very high66 Ų6662.1 Ų62.168%0.6832%0.322SS*.THydrogen-bonded Turntrans67.437.1178.800000113.8A77 L78A77-G81 PolarHBondContact O-N 3.07Å; L78-G81 PolarHBondContact O-N 3.24Å
82L97.2Very high98.3Very high26 Ų2660.7 Ų60.714%0.13632%0.316CS..SBendtrans-125.5154.2179.1-66-179.8000110.9T48 F50 A77 I80 R86T48-L82 HydrophobicContact CG2-CD1 4.09Å; T48-L82 HydrophobicContact CG2-CD2 3.6Å; F50-L82 HydrophobicContact CD1-CD1 3.42Å; F50-L82 VanDerWaalsContact CD1-CD1 3.42Å; F50-L82 HydrophobicContact CE1-CD1 3.32Å; F50-L82 HydrophobicContact CZ-CD1 4.48Å; A77-L82 CarbonylContact C-O 3.55Å; A77-L82 WeakPolarHBondContact CA-O 3.35Å; A77-L82 VanDerWaalsContact CB-O 3.23Å; A77-L82 WeakPolarHBondContact CB-O 3.19Å; A77-L82 PolarHBondContact O-N 2.91Å; A77-L82 VanDerWaalsContact O-O 3.12Å; I80-L82 HydrophobicContact CD1-CB 4.32Å; I80-L82 HydrophobicContact CD1-CD1 3.78Å; I80-L82 HydrophobicContact CD1-CG 4.28Å; I80-L82 HydrophobicContact CG1-CB 3.96Å; I80-L82 HydrophobicContact CG1-CD1 3.98Å; I80-L82 HydrophobicContact CG1-CG 3.93Å; L82-R86 HydrophobicContact CB-CB 4.44Å
83P97.8Very high98.3Very high76 Ų7662.8 Ų62.849%0.49433%0.328SS..  trans-61.7144.6170.4-20.931.8000111.7S85 R86 V87P83-S85 PolarHBondContact O-N 3.47Å; P83-S85 VanDerWaalsContact O-N 3.09Å; P83-R86 HydrophobicContact CB-CG 4.23Å; P83-R86 HydrophobicContact CG-CG 4.16Å; P83-R86 WeakPolarHBondContact O-CB 3.41Å; P83-R86 PolarHBondContact O-N 2.89Å; P83-V87 PolarHBondContact O-N 3.26Å
84E98.4Very high98.3Very high45 Ų4563.6 Ų63.621%0.2133%0.331CS..Hα-helixtrans-46.7-43.8174.2-177-78.317100111.2I70 R73 E74 A77 R86 V87 Q88I70-E84 HydrophobicContact CD1-CG 4.39Å; R73-E84 HydrophobicContact CB-CG 4.09Å; R73-E84 IonicContact CZ-OE1 3.4Å; R73-E84 IonicContact NE-OE1 2.75Å; R73-E84 PolarHBondContact NE-OE1 3.4Å; R73-E84 IonicContact NH2-OE1 3.12Å; R73-E84 PolarHBondContact NH2-OE1 3.03Å; R73-E84 VanDerWaalsContact NH2-OE1 3.12Å; E74-E84 HydrophobicContact CG-CG 4.24Å; A77-E84 HydrophobicContact CB-CB 4.36Å; E84-R86 PolarHBondContact O-N 3.47Å; E84-R86 VanDerWaalsContact O-N 3.07Å; E84-V87 CarbonylContact O-C 3.43Å; E84-V87 WeakPolarHBondContact O-CA 3.37Å; E84-V87 VanDerWaalsContact O-CB 3.31Å; E84-V87 WeakPolarHBondContact O-CB 3.29Å; E84-V87 PolarHBondContact O-N 3.11Å; E84-Q88 PolarHBondContact O-N 3.38Å
85S97.7Very high98.3Very high57 Ų5761.8 Ų61.840%0.39932%0.32SS..Hα-helixtrans-58.7-30.1-177.662.20000112.7P83 V89P83-S85 PolarHBondContact O-N 3.47Å; P83-S85 VanDerWaalsContact O-N 3.09Å; S85-V89 WeakPolarHBondContact O-CB 3.36Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.06Å
86R98Very high98.2Very high70 Ų7057.2 Ų57.226%0.26430%0.303SS..Hα-helixtrans-75.4-37.1176.3-59.1-56.7173.2155.32111.7E46 T48 L82 P83 E84 W90E46-R86 PolarHBondContact O-NH2 3.43Å; T48-R86 WeakPolarHBondContact OG1-CD 3.4Å; T48-R86 WeakPolarHBondContact OG1-CG 3.4Å; T48-R86 PolarHBondContact OG1-NE 2.92Å; L82-R86 HydrophobicContact CB-CB 4.44Å; P83-R86 HydrophobicContact CB-CG 4.23Å; P83-R86 HydrophobicContact CG-CG 4.16Å; P83-R86 WeakPolarHBondContact O-CB 3.41Å; P83-R86 PolarHBondContact O-N 2.89Å; E84-R86 PolarHBondContact O-N 3.47Å; E84-R86 VanDerWaalsContact O-N 3.07Å; R86-W90 VanDerWaalsContact O-CB 3.29Å; R86-W90 WeakPolarHBondContact O-CB 3.23Å; R86-W90 PolarHBondContact O-N 2.89Å
87V98.5Very high98.2Very high0 Ų062.4 Ų62.40%033%0.325CS..Hα-helixtrans-62.4-49.3170.1-177.90000109.8L58 R73 L76 A77 I80 P83 E84 V89 W90 F91L58-V87 HydrophobicContact CD2-CG1 4.15Å; R73-V87 HydrophobicContact CB-CG1 4.37Å; R73-V87 HydrophobicContact CG-CG1 4.34Å; L76-V87 HydrophobicContact CB-CG1 4.37Å; L76-V87 HydrophobicContact CD1-CG1 4.34Å; A77-V87 HydrophobicContact CB-CG2 4.04Å; I80-V87 HydrophobicContact CD1-CG2 3.96Å; P83-V87 PolarHBondContact O-N 3.26Å; E84-V87 CarbonylContact O-C 3.43Å; E84-V87 WeakPolarHBondContact O-CA 3.37Å; E84-V87 VanDerWaalsContact O-CB 3.31Å; E84-V87 WeakPolarHBondContact O-CB 3.29Å; E84-V87 PolarHBondContact O-N 3.11Å; V87-V89 PolarHBondContact O-N 3.49Å; V87-W90 WeakPolarHBondContact O-CB 3.3Å; V87-W90 PolarHBondContact O-N 3.22Å; V87-W90 VanDerWaalsContact O-N 3.14Å; V87-F91 HydrophobicContact CG1-CD2 3.71Å; V87-F91 HydrophobicContact CG1-CE2 3.7Å; V87-F91 WeakPolarHBondContact O-CD2 3.48Å; V87-F91 PolarHBondContact O-N 3.14Å
88Q98.4Very high98.2Very high97 Ų9763.4 Ų63.445%0.45333%0.333SS..Hα-helixtrans-55.9-49.2177.4180172.9-74.900112.2E84 W90 F91 K92E84-Q88 PolarHBondContact O-N 3.38Å; Q88-W90 VanDerWaalsContact C-N 3.33Å; Q88-W90 PolarHBondContact O-N 3.31Å; Q88-F91 PolarHBondContact O-N 2.94Å; Q88-K92 PolarHBondContact O-N 2.92Å
89V98.3Very high98.1Very high60 Ų6062.7 Ų62.736%0.36432%0.32SS..Hα-helixtrans-64-39.3178171.50000111.2S85 V87 K92 N93S85-V89 WeakPolarHBondContact O-CB 3.36Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.06Å; V87-V89 PolarHBondContact O-N 3.49Å; V89-K92 PolarHBondContact O-N 3.41Å; V89-N93 VanDerWaalsContact O-CG 3.31Å; V89-N93 PolarHBondContact O-N 3.03Å
90W98.6Very high98Very high24 Ų2461.3 Ų61.39%0.09132%0.316CS..Hα-helixtrans-60.4-49.9175.9-175.598.7000111.4F50 L58 E59 F62 R86 V87 Q88 K92 N93 R94F50-W90 HydrophobicContact CE1-CB 4.41Å; F50-W90 AromaticContact CE1-CD1 3.98Å; F50-W90 HydrophobicContact CE1-CG 4.45Å; F50-W90 AromaticContact CE2-CD1 3.73Å; F50-W90 HydrophobicContact CZ-CB 3.99Å; F50-W90 AromaticContact CZ-CD1 3.66Å; F50-W90 HydrophobicContact CZ-CG 4.18Å; L58-W90 HydrophobicContact CB-CD2 4.09Å; L58-W90 HydrophobicContact CB-CE3 4.02Å; L58-W90 HydrophobicContact CB-CH2 3.57Å; L58-W90 HydrophobicContact CB-CZ2 3.6Å; L58-W90 HydrophobicContact CB-CZ3 3.78Å; L58-W90 HydrophobicContact CD1-CD2 3.87Å; L58-W90 HydrophobicContact CD1-CE3 4.44Å; L58-W90 HydrophobicContact CD1-CG 3.95Å; L58-W90 HydrophobicContact CD1-CZ2 4.42Å; L58-W90 HydrophobicContact CD2-CD2 4.29Å; L58-W90 HydrophobicContact CD2-CE3 4.08Å; L58-W90 HydrophobicContact CD2-CZ3 4.47Å; L58-W90 HydrophobicContact CG-CD2 4.32Å; L58-W90 HydrophobicContact CG-CE3 4.42Å; E59-W90 HydrophobicContact CG-CH2 4.13Å; E59-W90 HydrophobicContact CG-CZ2 4.07Å; F62-W90 HydrophobicContact CB-CH2 4.22Å; F62-W90 HydrophobicContact CB-CZ3 4.26Å; F62-W90 HydrophobicContact CD2-CZ3 4.37Å; R86-W90 VanDerWaalsContact O-CB 3.29Å; R86-W90 WeakPolarHBondContact O-CB 3.23Å; R86-W90 PolarHBondContact O-N 2.89Å; V87-W90 WeakPolarHBondContact O-CB 3.3Å; V87-W90 PolarHBondContact O-N 3.22Å; V87-W90 VanDerWaalsContact O-N 3.14Å; Q88-W90 VanDerWaalsContact C-N 3.33Å; Q88-W90 PolarHBondContact O-N 3.31Å; W90-K92 VanDerWaalsContact C-N 3.32Å; W90-K92 PolarHBondContact O-N 2.87Å; W90-N93 PolarHBondContact O-N 3.02Å; W90-R94 HydrophobicContact CD2-CB 4.47Å; W90-R94 HydrophobicContact CE3-CB 4.16Å; W90-R94 HydrophobicContact CH2-CB 4.09Å; W90-R94 HydrophobicContact CH2-CG 3.79Å; W90-R94 HydrophobicContact CZ2-CB 4.42Å; W90-R94 HydrophobicContact CZ2-CG 4.3Å; W90-R94 HydrophobicContact CZ3-CB 3.96Å; W90-R94 HydrophobicContact CZ3-CG 4.01Å; W90-R94 WeakPolarHBondContact O-CB 3.26Å; W90-R94 PolarHBondContact O-N 3.4Å
91F98.8Very high97.8Very high1 Ų164.6 Ų64.60%0.00433%0.331CS..Hα-helixtrans-61.7-39.5178.4-88.7-87.3000111.9L58 I61 F62 P68 L76 V87 Q88 R94 R95L58-F91 HydrophobicContact CD2-CE2 3.99Å; I61-F91 HydrophobicContact CB-CZ 4.19Å; I61-F91 HydrophobicContact CG2-CE1 4.49Å; I61-F91 HydrophobicContact CG2-CZ 3.95Å; F62-F91 HydrophobicContact CB-CE1 4.18Å; F62-F91 AromaticContact CD2-CD1 3.94Å; F62-F91 HydrophobicContact CD2-CD1 3.94Å; F62-F91 AromaticContact CD2-CE1 3.97Å; F62-F91 HydrophobicContact CD2-CE1 3.97Å; P68-F91 HydrophobicContact CG-CD1 3.71Å; P68-F91 HydrophobicContact CG-CD2 3.86Å; P68-F91 HydrophobicContact CG-CE1 3.7Å; P68-F91 HydrophobicContact CG-CE2 3.87Å; P68-F91 HydrophobicContact CG-CG 3.8Å; P68-F91 HydrophobicContact CG-CZ 3.8Å; L76-F91 HydrophobicContact CD1-CE2 4.02Å; L76-F91 HydrophobicContact CD1-CZ 4.23Å; V87-F91 HydrophobicContact CG1-CD2 3.71Å; V87-F91 HydrophobicContact CG1-CE2 3.7Å; V87-F91 WeakPolarHBondContact O-CD2 3.48Å; V87-F91 PolarHBondContact O-N 3.14Å; Q88-F91 PolarHBondContact O-N 2.94Å; F91-R94 PolarHBondContact O-N 3.22Å; F91-R95 WeakPolarHBondContact O-CB 3.43Å; F91-R95 WeakPolarHBondContact O-CG 3.33Å; F91-R95 PolarHBondContact O-N 2.95Å
92K98.5Very high97.6Very high124 Ų12463.8 Ų63.854%0.53932%0.318SS..Hα-helixtrans-58.7-49.1174-173.217769.4176.20111.6Q88 V89 W90 R95 A96Q88-K92 PolarHBondContact O-N 2.92Å; V89-K92 PolarHBondContact O-N 3.41Å; W90-K92 VanDerWaalsContact C-N 3.32Å; W90-K92 PolarHBondContact O-N 2.87Å; K92-R95 PolarHBondContact O-N 3.15Å; K92-A96 PolarHBondContact O-N 2.91Å
93N98.5Very high97.3Very high96 Ų9669.3 Ų69.351%0.51334%0.343SS..Hα-helixtrans-66.9-39.2179.5-69.8-11.5000111.8V89 W90 A96 K97V89-N93 VanDerWaalsContact O-CG 3.31Å; V89-N93 PolarHBondContact O-N 3.03Å; W90-N93 PolarHBondContact O-N 3.02Å; N93-A96 WeakPolarHBondContact O-CB 3.4Å; N93-A96 PolarHBondContact O-N 3.45Å; N93-K97 PolarHBondContact O-N 3.02Å
94R98.6Very high96.7Very high60 Ų6073.1 Ų73.123%0.22636%0.355CS..Hα-helixtrans-64-41.5177.9-176.565.2-168.989.5-4.3111.9F62 W90 F91 K97 A98F62-R94 HydrophobicContact CD1-CG 4.08Å; F62-R94 HydrophobicContact CD2-CB 4.23Å; F62-R94 HydrophobicContact CD2-CG 3.5Å; F62-R94 HydrophobicContact CE1-CG 3.99Å; F62-R94 HydrophobicContact CE2-CB 4.03Å; F62-R94 HydrophobicContact CE2-CG 3.41Å; F62-R94 VanDerWaalsContact CE2-CG 3.41Å; F62-R94 HydrophobicContact CG-CG 3.85Å; F62-R94 HydrophobicContact CZ-CG 3.67Å; W90-R94 HydrophobicContact CD2-CB 4.47Å; W90-R94 HydrophobicContact CE3-CB 4.16Å; W90-R94 HydrophobicContact CH2-CB 4.09Å; W90-R94 HydrophobicContact CH2-CG 3.79Å; W90-R94 HydrophobicContact CZ2-CB 4.42Å; W90-R94 HydrophobicContact CZ2-CG 4.3Å; W90-R94 HydrophobicContact CZ3-CB 3.96Å; W90-R94 HydrophobicContact CZ3-CG 4.01Å; W90-R94 WeakPolarHBondContact O-CB 3.26Å; W90-R94 PolarHBondContact O-N 3.4Å; F91-R94 PolarHBondContact O-N 3.22Å; R94-K97 PolarHBondContact O-N 3.03Å; R94-A98 PolarHBondContact O-N 3.4Å
95R98.5Very high95.8Very high53 Ų5379.3 Ų79.320%0.238%0.381CS..Hα-helixtrans-63.6-41.2172-73-165.1-61.2-925.8112.2F62 H66 F91 K92 K97 A98 R99F62-R95 HydrophobicContact CE2-CG 3.98Å; H66-R95 HydrophobicContact CB-CG 4.28Å; H66-R95 WeakPolarHBondContact O-CD 3.37Å; H66-R95 PolarHBondContact O-NH1 3.27Å; F91-R95 WeakPolarHBondContact O-CB 3.43Å; F91-R95 WeakPolarHBondContact O-CG 3.33Å; F91-R95 PolarHBondContact O-N 2.95Å; K92-R95 PolarHBondContact O-N 3.15Å; R95-K97 PolarHBondContact O-N 3.46Å; R95-A98 PolarHBondContact O-N 3.45Å; R95-R99 PolarHBondContact O-N 3Å
96A98.5Very high94.6Very high26 Ų2683.2 Ų83.222%0.21540%0.397CS..Hα-helixtrans-59.6-46.5175.300000111.4K92 N93 A98 R99 Q100K92-A96 PolarHBondContact O-N 2.91Å; N93-A96 WeakPolarHBondContact O-CB 3.4Å; N93-A96 PolarHBondContact O-N 3.45Å; A96-A98 PolarHBondContact O-N 2.81Å; A96-R99 PolarHBondContact O-N 3.22Å; A96-Q100 WeakPolarHBondContact O-CG 3.48Å; A96-Q100 PolarHBondContact O-N 2.97Å
97K98Very high93Very high116 Ų11681.6 Ų81.650%0.50440%0.403SS..Hα-helixtrans-61.8-40.7175.3-170.5177.1-178.3-1780112.3N93 R94 R95 R99 Q100 Q101N93-K97 PolarHBondContact O-N 3.02Å; R94-K97 PolarHBondContact O-N 3.03Å; R95-K97 PolarHBondContact O-N 3.46Å; K97-R99 PolarHBondContact O-N 3.21Å; K97-Q100 PolarHBondContact O-N 2.95Å; K97-Q101 VanDerWaalsContact O-CG 3.3Å; K97-Q101 WeakPolarHBondContact O-CG 3.41Å; K97-Q101 PolarHBondContact O-N 3.36Å
98A97.3Very high91.1Very high29 Ų2987.5 Ų87.524%0.2444%0.441CS..Hα-helixtrans-61.4-42.917700000112.1F62 R94 R95 A96 Q101 A102F62-A98 HydrophobicContact CZ-CB 4.21Å; R94-A98 PolarHBondContact O-N 3.4Å; R95-A98 PolarHBondContact O-N 3.45Å; A96-A98 PolarHBondContact O-N 2.81Å; A98-Q101 PolarHBondContact O-N 3.41Å; A98-A102 PolarHBondContact O-N 2.93Å
99R97.1Very high89.1Confident135 Ų13592.5 Ų92.551%0.50946%0.461SS..Hα-helixtrans-65.1-40.5175.2-67.8-167.7-55.3-89.81.6112.5R95 A96 K97 Q101 A102 Q103R95-R99 PolarHBondContact O-N 3Å; A96-R99 PolarHBondContact O-N 3.22Å; K97-R99 PolarHBondContact O-N 3.21Å; R99-Q101 VanDerWaalsContact C-N 3.32Å; R99-Q101 PolarHBondContact O-N 2.77Å; R99-A102 PolarHBondContact O-N 3.04Å; R99-Q103 WeakPolarHBondContact O-CG 3.44Å; R99-Q103 PolarHBondContact O-N 3.37Å; R99-Q103 VanDerWaalsContact O-N 3.11Å
100Q95.6Very high86.9Confident115 Ų11598.6 Ų98.654%0.53748%0.483SS..Hα-helixtrans-61.9-41.1175.5-70.6168.23.900111.7A96 K97 Q103 Q104A96-Q100 WeakPolarHBondContact O-CG 3.48Å; A96-Q100 PolarHBondContact O-N 2.97Å; K97-Q100 PolarHBondContact O-N 2.95Å; Q100-Q103 PolarHBondContact O-N 2.82Å; Q100-Q104 WeakPolarHBondContact O-CG 3.42Å; Q100-Q104 PolarHBondContact O-N 3.43Å
101Q94.1Very high84.5Confident81 Ų81100.8 Ų100.838%0.37951%0.513SS..Hα-helixtrans-67.4-33.2177.4-73173.6-12.300112.9K97 A98 R99K97-Q101 VanDerWaalsContact O-CG 3.3Å; K97-Q101 WeakPolarHBondContact O-CG 3.41Å; K97-Q101 PolarHBondContact O-N 3.36Å; A98-Q101 PolarHBondContact O-N 3.41Å; R99-Q101 VanDerWaalsContact C-N 3.32Å; R99-Q101 PolarHBondContact O-N 2.77Å
102A93.2Very high82.3Confident49 Ų49110 Ų11041%0.40556%0.555SS.*Hα-helixtrans-67.3-46.7174.100000111.3A98 R99 Q104 K105 D106A98-A102 PolarHBondContact O-N 2.93Å; R99-A102 PolarHBondContact O-N 3.04Å; A102-Q104 VanDerWaalsContact C-N 3.26Å; A102-Q104 PolarHBondContact O-N 3.35Å; A102-K105 PolarHBondContact O-N 3.34Å; A102-D106 PolarHBondContact O-N 3.4Å
103Q90Very high80Confident141 Ų141109 Ų10966%0.65957%0.565SS**Hα-helixtrans-62.3-30.2179.2-68.9175.221.400113.6R99 Q100 K105 G107R99-Q103 WeakPolarHBondContact O-CG 3.44Å; R99-Q103 PolarHBondContact O-N 3.37Å; R99-Q103 VanDerWaalsContact O-N 3.11Å; Q100-Q103 PolarHBondContact O-N 2.82Å; Q103-K105 VanDerWaalsContact C-N 3.3Å; Q103-G107 PolarHBondContact O-N 3.25Å
104Q86.1Confident77.5Confident157 Ų157112.7 Ų112.773%0.73458%0.584SS**Hα-helixtrans-71.5-24.7175.9-73.9177.9-2.600113.2Q100 A102Q100-Q104 WeakPolarHBondContact O-CG 3.42Å; Q100-Q104 PolarHBondContact O-N 3.43Å; A102-Q104 VanDerWaalsContact C-N 3.26Å; A102-Q104 PolarHBondContact O-N 3.35Å
105K79.8Confident74.9Confident175 Ų175113.5 Ų113.576%0.76161%0.612SS**Hα-helixtrans-81.1-28.2177.7-68.5-178.6178.4-171.30112.5A102 Q103A102-K105 PolarHBondContact O-N 3.34Å; Q103-K105 VanDerWaalsContact C-N 3.3Å
106D71.4Confident72.3Confident138 Ų138115 Ų11574%0.73864%0.643SS**SBendtrans-97.38.4179.6-56.9-40.3000112.9A102A102-D106 PolarHBondContact O-N 3.4Å
107G65.5Low69.9Low37 Ų37119.4 Ų119.438%0.38167%0.672SS.*SBendtrans-61.4142.316800000110.3Q103 K109Q103-G107 PolarHBondContact O-N 3.25Å; G107-K109 PolarHBondContact O-N 2.94Å
108P59.1Low67.6Low123 Ų123118.5 Ų118.580%0.79968%0.681SS**  trans-59.2113.2-164.525.1-33000109.3K110P108-K110 PolarHBondContact O-N 3.46Å
109K56Low65Low202 Ų202126.1 Ų126.188%0.87871%0.711SS**  trans-54.3100.1153.3-71.2-176.8179.3175.80104.9G107 G111G107-K109 PolarHBondContact O-N 2.94Å; K109-G111 PolarHBondContact O-N 2.83Å; K109-G111 VanDerWaalsContact O-N 3.07Å
110K52.7Low62.6Low189 Ų189123.4 Ų123.482%0.82273%0.726SS**  trans-48.2120.8164-87.4-175.3171.9-174.90105.9P108 E112P108-K110 PolarHBondContact O-N 3.46Å; K110-E112 PolarHBondContact O-N 3.08Å; K110-E112 VanDerWaalsContact O-N 3.09Å
111G47.6Very low60.4Low70 Ų70123 Ų12372%0.72274%0.736SS**  trans-61.1109.3170.600000108.6K109K109-G111 PolarHBondContact O-N 2.83Å; K109-G111 VanDerWaalsContact O-N 3.07Å
112E52.8Low58.2Low193 Ų193128.9 Ų128.990%0.90276%0.76SS**  trans-99.183.9148.1-98.8161.27900105.8K110K110-E112 PolarHBondContact O-N 3.08Å; K110-E112 VanDerWaalsContact O-N 3.09Å
113S50.8Low55.9Low105 Ų105135.8 Ų135.873%0.73478%0.781SS**  trans-79.9125159.6420000108.4
114D44.9Very low53.9Low172 Ų172134.7 Ų134.792%0.9279%0.789SS**  trans76.8118.7141.8-155.340.9000119.1
115G45.1Very low52.4Low78 Ų78132.6 Ų132.680%0.80479%0.791SS**  trans143.797.9163.600000115.2
116G43.8Very low51.3Low83 Ų83130.1 Ų130.186%0.85679%0.793SS**  trans152.487.215700000117.2
117S47Very low50Low119 Ų119127.9 Ų127.983%0.83279%0.794SS**  trans-63.6162.8173.8-54.30000116.2
118S49.8Very low49.5Very low98 Ų98133 Ų13369%0.68582%0.818SS**  trans69.6111148.4-95.50000121.5
119E42.7Very low49.1Very low188 Ų188133 Ų13388%0.87982%0.816SS**  71.1111.2107.1-152.4165.9179.300119
120G46.2Very low49.2Very low79 Ų79129.1 Ų129.181%0.81481%0.811SS**  trans-177.997.617100000114.4
121S49.8Very low48.7Very low107 Ų107124.8 Ų124.875%0.74880%0.801SS**  trans-70.4166.2178.5-67.60000115.2
122K47.9Very low49.6Very low204 Ų204129.4 Ų129.489%0.88781%0.807SS**  trans95.1145.4155.9-53164.5-173.7174.60114.8
123K45.4Very low49.3Very low193 Ų193129.6 Ų129.684%0.83980%0.8SS**  cis170.6123.9-12.3170.3173.8-178.4177.20103.9
124S48Very low49.2Very low118 Ų118132.6 Ų132.683%0.82580%0.802SS**  trans153.3121142.859.40000114.6
125S54.6Low49.6Very low113 Ų113130 Ų13079%0.7979%0.794SS**  trans-85.4172.8161.6-46.80000111.1
126P57.2Low49.4Very low123 Ų123131.7 Ų131.780%0.79979%0.794SS**  -146.3139.98329.8-7.9000114.7
127A43.9Very low49.7Very low91 Ų91133.1 Ų133.175%0.75279%0.788SS**  67.8118.49000000117
128T54.7Low49.8Very low146 Ų146136 Ų13690%0.89679%0.788SS**  -172.2133.3129.6-57.70000110.5
129T50.3Low49.5Very low122 Ų122139.9 Ų139.975%0.74880%0.796SS**  trans-124.5162.9179.33.30000108.5
130P57.2Low49.9Very low120 Ų120140.5 Ų140.578%0.77980%0.799SS**  -148.9150.582.630.9-8.4000114.3
131T43.5Very low49.8Very low99 Ų99146.1 Ų146.161%0.60780%0.801SS**  74116.662.5-58.10000117.3R133T131-R133 HydrophobicContact CG2-CG 4.42Å
132I65.2Low49.7Very low166 Ų166149.4 Ų149.485%0.85180%0.802SS**  trans-172.4104.8145.5-93.6153.2000106.5
133R47.2Very low49.7Very low198 Ų198148.6 Ų148.675%0.74780%0.798SS**  71.5100.572.6-71.1-175.3-175-111.13.7115T131T131-R133 HydrophobicContact CG2-CG 4.42Å
134Q50Low49.5Very low168 Ų168148 Ų14879%0.78580%0.799SS**  86.616494.3-93.2-170.4-1700115.3
135P51.7Low49.7Very low116 Ų116147.2 Ų147.275%0.75379%0.79SS**  cis-140.2179.7-30.637.4-16.3000116.1
136S41.2Very low49.6Very low115 Ų115148.8 Ų148.880%0.80479%0.789SS**  trans-65.9169177-55.10000116.9
137P50.9Low49.2Very low113 Ų113149 Ų14973%0.73479%0.788SS**  -158.5155.699.239.2-18.3000120.1
138Q47.5Very low49.6Very low178 Ų178149.2 Ų149.283%0.83279%0.79SS**  trans55.8117.3134.9-64.7174.1-16.300125.3
139Q44.1Very low49.2Very low181 Ų181151.4 Ų151.485%0.84679%0.79SS**  34.6124.2129.4-66.1177.8-4.100121.4
140Q52.1Low49.5Very low201 Ų201154 Ų15494%0.93980%0.796SS**  trans-161.1133.5130.3-107.9168.924.600113.7
141K42.6Very low49.3Very low197 Ų197156.7 Ų156.786%0.85780%0.798SS**  trans-60.6146.9173.8-71167.5169.1173.20112.5
142K48.2Very low50Low175 Ų175160.1 Ų160.176%0.76181%0.809SS**  166.7123.3115.3-91.9170.7-179.3175.30113.7
143K47.7Very low49.8Very low187 Ų187157.7 Ų157.781%0.81380%0.804SS**  trans76.6116.5131.7-59.4176.7-179.1-164.20120.5
144E41.7Very low50.3Low182 Ų182153.8 Ų153.885%0.8581%0.807SS**  trans-61-174.2158.6-50.3-160.1134.900112.7
145P51.3Low50.8Low100 Ų100155.5 Ų155.565%0.64981%0.808SS**  cis-148.6-171.312.235.6-9.4000117.9
146L54.4Low50.8Low147 Ų147154.3 Ų154.377%0.7781%0.808SS**  trans103.3108.9150-64.3156.1000119.2
147T46.8Very low51.4Low127 Ų127158.5 Ų158.578%0.77981%0.807SS**  70.4107.1119.7-51.50000119
148A53.2Low51.1Low95 Ų95158.2 Ų158.279%0.78581%0.808SS**  -167.2108.1127.400000110
149Q46.2Very low51.2Low192 Ų192156.1 Ų156.190%0.89781%0.807SS**  trans-68134.7162.4-73.2-172.8-26.300109.3
150M57Low51.6Low178 Ų178153.1 Ų153.188%0.87780%0.802SS**  trans-14993.3158.4-117.1153.770.100111.1
151Q52.2Low51.2Low175 Ų175148.9 Ų148.982%0.81880%0.795SS**  trans23.2118135.3-151.777.51500118.6
152M57.9Low51.4Low172 Ų172145.4 Ų145.485%0.84779%0.79SS**  trans-109.5130.9161.1-63.2-72.1-7600108.9
153P61.8Low51.2Low114 Ų114143.4 Ų143.474%0.7479%0.792SS**  trans-91.8126.6172.431.7-27.1000111.4
154S58.3Low51.4Low117 Ų117139.1 Ų139.182%0.81879%0.786SS**  trans-79.6124.316862.90000110.3
155Y60.4Low51.8Low204 Ų204137.3 Ų137.380%0.878%0.782SS**  trans-90.1110165.445.1-90.5000109.2
156A51.1Low51.6Low90 Ų90140.3 Ų140.374%0.74479%0.793SS**  trans-82.3125.8164.100000108.4S158A156-S158 PolarHBondContact O-N 3.01Å
157Y53.5Low51Low203 Ų203138.5 Ų138.580%0.79679%0.792SS**  trans-85.8105.3166.729.5-90000108.2T159Y157-T159 PolarHBondContact O-N 3.34Å
158S44.3Very low51.2Low107 Ų107139.3 Ų139.375%0.74880%0.798SS**  trans-70.4121.1170.1-64.60000110.2A156 T160A156-S158 PolarHBondContact O-N 3.01Å; S158-T160 PolarHBondContact O-N 2.82Å
159T49.5Very low50.6Low134 Ų134143.5 Ų143.582%0.82280%0.803SS**  trans-76.2109.4166.9-41.80000108.5Y157Y157-T159 PolarHBondContact O-N 3.34Å
160T52.6Low50.5Low119 Ų119139.8 Ų139.873%0.7380%0.798SS**  trans-93.6104.5166.242.40000109.3S158 T162S158-T160 PolarHBondContact O-N 2.82Å; T160-T162 PolarHBondContact O-N 3.46Å
161S44.6Very low50.2Low112 Ų112137.9 Ų137.978%0.78380%0.797SS**  trans-74110.3162.341.90000109.3
162T46.5Very low49.7Very low123 Ų123137.7 Ų137.776%0.75580%0.8SS**  trans-114.6106.6168.2-52.10000109.2T160T160-T162 PolarHBondContact O-N 3.46Å
163T44Very low49.3Very low133 Ų133133 Ų13382%0.81679%0.789SS**  trans-71121.2164.2-56.60000108.9
164S51.5Low48.3Very low97 Ų97132 Ų13268%0.67879%0.79SS**  trans-157.1108147.9520000112.1
165N50.1Low47.5Very low144 Ų144138 Ų13877%0.7780%0.795SS**  trans-18.6123147.941-50.4000116.9
166N46.8Very low46.8Very low163 Ų163135.2 Ų135.287%0.87279%0.794SS**  trans-153.3135131.7-133.5-1000112.4
167S43Very low47.1Very low109 Ų109137 Ų13776%0.76280%0.797SS**  trans-78.3134.7-173.1-52.90000112.3
168T49.8Very low46.6Very low145 Ų145131.8 Ų131.889%0.8979%0.787SS**  trans-157.6128.314338.30000109.6
169M40.5Very low46.5Very low182 Ų182135 Ų13590%0.89779%0.792SS**  trans-63.3147.5-171.8-55.8176.379.400113.5
170S45.8Very low46.4Very low115 Ų115133.3 Ų133.380%0.80479%0.792SS**  trans-169.897.7141.3-80.70000111.2
171T49.7Very low46.1Very low138 Ų138135.3 Ų135.385%0.84779%0.793SS**  trans36105.9146.4-30.30000120
172I41.8Very low45.8Very low170 Ų170136.5 Ų136.587%0.87279%0.786SS**  trans-99113.5157.9-29.1173.1000106.8
173A49.6Very low45.5Very low75 Ų75137.6 Ų137.662%0.6279%0.788SS**  trans-90.8100.2170.700000109
174A40.3Very low45.5Very low93 Ų93134.3 Ų134.377%0.76978%0.78SS**  trans-73.6122.8167.500000109.4
175W42.9Very low45.2Very low242 Ų242138.9 Ų138.992%0.91779%0.79SS**  trans-99.5105.3167.2-73.462.7000107.7
176N44.2Very low44.7Very low145 Ų145140.1 Ų140.178%0.77579%0.794SS**  trans-114.8105.8175.2-161.310.2000106.8
177P57Low44.5Very low127 Ų127136.8 Ų136.883%0.82579%0.789SS**  trans-9996.1167.829.3-17.6000108.5
178T44.7Very low44.4Very low95 Ų95139.5 Ų139.558%0.58379%0.79SS**  trans-95.1135.5164.3-148.30000108.6
179M41.1Very low43.6Very low173 Ų173139.2 Ų139.285%0.85278%0.782SS**  trans65.599.5156.9-51.3-178-154.900118.6
180A47.6Very low43.5Very low100 Ų100138.7 Ų138.783%0.82678%0.78SS**  trans-170.3128.5134.900000112.1
181H46.3Very low43Very low160 Ų160141.5 Ų141.574%0.74178%0.778SS**  trans68.1102.6157.7-115.4-109.4000118.3
182E37.4Very low42.4Very low137 Ų137144.2 Ų144.264%0.6478%0.778SS**  80.4116.976-177.7-175.1140.300113.6
183N41.7Very low41.9Very low147 Ų147143.6 Ų143.679%0.78678%0.777SS**  trans66.3106.4159-74.7-46.9000120.3
184G43.3Very low41.2Very low63 Ų63143.4 Ų143.465%0.64978%0.782SS**  118.5107.3123.400000118.7
185Q46.2Very low40.9Very low193 Ų193146.5 Ų146.590%0.90279%0.786SS**  trans75.2100.3141-55.2172.146.500116.3
186M39.4Very low40.7Very low170 Ų170139.9 Ų139.984%0.83778%0.777SS**  63.291.368.2-156.8179.3-158.600114.2
187A43Very low40.6Very low93 Ų93139.8 Ų139.877%0.76978%0.781SS**  trans-168.895147.700000107.5
188Q40.1Very low39.9Very low167 Ų167143.3 Ų143.378%0.7878%0.783SS**  61.9105.492.1-70.3-169.58.300115.2
189N33.1Very low39.4Very low138 Ų138145.3 Ų145.374%0.73880%0.795SS**  trans4119.7147.9-67.610.7000117.9
190M37.2Very low39.2Very low171 Ų171141.1 Ų141.184%0.84279%0.789SS**  trans-137.194.2145.9-77.5-77.4-15000108.4F192M190-F192 HydrophobicContact SD-CE2 4.38Å
191F35.6Very low38.6Very low175 Ų175144.7 Ų144.777%0.76879%0.788SS**  trans-73.8120160.8-78.7-97.4000108.1
192F37.2Very low38Very low195 Ų195141.8 Ų141.886%0.85579%0.786SS**  trans-140.9107.3152.7-85.3-74.2000111.2M190M190-F192 HydrophobicContact SD-CE2 4.38Å
193N31Very low37.9Very low156 Ų156145.6 Ų145.683%0.83480%0.796SS**  trans-67.3128.5162.5-178.323.7000108.9
194G36.1Very low37.8Very low71 Ų71142.5 Ų142.573%0.73279%0.791SS**  trans-143.170.8-178.200000111.5S196G194-S196 PolarHBondContact O-N 2.79Å
195N34.4Very low37.8Very low158 Ų158146 Ų14685%0.84580%0.8SS**  trans-64.6119.2159.7-106.26.5000108.5
196S39Very low37.5Very low104 Ų104142.9 Ų142.973%0.72780%0.799SS**  trans-136.4103.6159.8-95.10000109.6G194G194-S196 PolarHBondContact O-N 2.79Å
197V41.3Very low37.7Very low143 Ų143139.5 Ų139.587%0.86780%0.799SS**  trans-61.2127.7158.8-78.40000108.7
198K42.2Very low37.7Very low200 Ų200141.8 Ų141.887%0.8780%0.798SS**  trans-122.7105.3165.7-72-169.7177.6-171.50109
199T33.6Very low38.1Very low137 Ų137141.9 Ų141.984%0.8480%0.798SS**  trans-86.2126.5159.4-67.10000107.8
200A38Very low38.5Very low86 Ų86139.4 Ų139.471%0.71179%0.792SS**  trans-174.7107.4155.800000106.7
201Q35.4Very low38.7Very low174 Ų174139.7 Ų139.781%0.81379%0.791SS**  75.6120.483.7-81.3-172.6-19.100114.5
202S32.3Very low38.7Very low100 Ų100134.8 Ų134.870%0.69979%0.79SS**  trans65139.1153.339.40000116.5
203Y36.1Very low39.1Very low216 Ų216132.5 Ų132.585%0.84779%0.785SS**  cis-167.7158.448.429.6-100.5000112.2
204A40.3Very low39.4Very low82 Ų82135.6 Ų135.668%0.67879%0.787SS**  trans72101.4142.800000120.3
205T42.7Very low39.7Very low137 Ų137139.5 Ų139.584%0.8479%0.789SS**  67.7114.396.329.10000116.6
206S39.8Very low40Very low128 Ų128140.6 Ų140.690%0.89579%0.789SS**  -168.1132.5122.1-79.40000110.8
207A42.4Very low40Very low99 Ų99141 Ų14182%0.81879%0.792SS**  trans-97142.7-17400000111.8
208N44Very low40.1Very low141 Ų141137.2 Ų137.275%0.75478%0.782SS**  trans-165110.3148.9-139.6-82.8000107.3
209Q47.9Very low40.1Very low168 Ų168138.7 Ų138.779%0.78578%0.784SS**  48.6125.498.2-115.9177.421.100111.7
210S41.4Very low40.9Very low86 Ų86136.6 Ų136.660%0.60178%0.78SS**  cis176.6162.43.734.50000107.8
211Q41.4Very low41.6Very low177 Ų177137.7 Ų137.783%0.82778%0.78SS**  trans79.3111.9156.2-44.3-14712.500118.8
212G37.3Very low42.4Very low73 Ų73137.5 Ų137.575%0.75378%0.782SS**  trans-121.5109.9146.500000108.2
213I45.1Very low43Very low147 Ų147136.5 Ų136.575%0.75479%0.788SS**  trans-125.4115.8161.8-67.3-74.5000105.8
214Y36.9Very low43.4Very low221 Ų221129.6 Ų129.687%0.86778%0.782SS**  trans-77.8129.8169-83.5-99000109.1
215I41.3Very low43.9Very low153 Ų153131.6 Ų131.679%0.78579%0.789SS**  trans176.3125.1131.146.8174.6000108.6
216H40.9Very low44.2Very low181 Ų181133.3 Ų133.384%0.83879%0.787SS**  169.7127.8111.4-140.670.5000110.4
217S40.7Very low44.8Very low112 Ų112132.1 Ų132.178%0.78377%0.774SS**  trans-74.1136.5167.4-179.60000109.2
218G42.3Very low45.3Very low64 Ų64137.6 Ų137.666%0.6678%0.775SS**  trans175.288.3176.600000113.4
219Y42.9Very low45.5Very low231 Ų231140.8 Ų140.891%0.90678%0.778SS**  trans25.7125.1152.6-74-92.9000121.2
220A49.2Very low45.8Very low92 Ų92135.9 Ų135.976%0.7677%0.773SS**  trans-63.1168.3167.800000113.6
221P54.2Low46.5Very low110 Ų110138 Ų13871%0.71478%0.784SS**  -148.4141.5108.927.6-6.4000117.3
222I51.7Low46.9Very low169 Ų169135.9 Ų135.987%0.86779%0.786SS**  73.2119.8123.9-56.9169.7000120.3
223G45.7Very low47.4Very low80 Ų80135.9 Ų135.983%0.82579%0.786SS**  trans105.6118.4155.500000113.2
224G42.6Very low47.9Very low70 Ų70135.2 Ų135.272%0.72279%0.788SS**  cis173.3151.25.300000105.4
225P51.5Low48.5Very low125 Ų125130.7 Ų130.781%0.81278%0.779SS**  trans-92.9143.5-160.534.9-31.8000113.3
226H48.2Very low49.1Very low173 Ų173134.5 Ų134.580%0.80178%0.784SS**  trans-113.3109.1161.6-167.4-95.4000109.3
227V54.3Low49.6Very low102 Ų102133.1 Ų133.162%0.61878%0.78SS**  trans-93.8127.2174.5175.40000107.6Y229V227-Y229 HydrophobicContact CG1-CD2 3.66Å; V227-Y229 HydrophobicContact CG1-CE2 3.74Å
228Y52.9Low50.2Low214 Ų214136 Ų13684%0.83978%0.78SS**  trans-126.5123.3160.9-152.3-93.6000109.3
229Y47.9Very low50.4Low208 Ų208141.9 Ų141.982%0.81679%0.791SS**  trans-84.2152.7-175.6-95.8-101.3000112.3V227V227-Y229 HydrophobicContact CG1-CD2 3.66Å; V227-Y229 HydrophobicContact CG1-CE2 3.74Å
230G52.6Low50.7Low66 Ų66142.9 Ų142.968%0.6879%0.793SS**  trans128.5155.4145.800000116
231P57.2Low50.5Low129 Ų129143.2 Ų143.284%0.83879%0.79SS**  -124170.6-68.223.4-5.1000112.2
232P49Very low50.2Low133 Ų133143.4 Ų143.486%0.86479%0.794SS**  trans-91.7157.1-166.536.5-32.9000114
233G49.1Very low50Low73 Ų73141.5 Ų141.575%0.75379%0.79SS**  trans112.9105.3158.100000115
234V54.6Low49.9Very low134 Ų134142.1 Ų142.181%0.81279%0.787SS**  trans-154.6133132.9-80.10000109.2
235D49.4Very low50.4Low126 Ų126144.7 Ų144.767%0.67479%0.791SS**  trans-60.2140179.5-158.3-74.7000112.2M237D235-M237 VanDerWaalsContact OD1-CB 3.3Å; D235-M237 WeakPolarHBondContact OD1-CB 3.31Å; D235-M237 PolarHBondContact OD1-N 3.44Å
236W54.3Low50Low232 Ų232143.4 Ų143.488%0.87979%0.791SS**  trans-125.229.8169.4-82.7100.1000111.9H238W236-H238 PolarHBondContact O-N 3.06Å
237M52Low49.8Very low153 Ų153139.4 Ų139.475%0.75479%0.788SS**  trans-81.653.6173.7-163152.976.200112.3D235D235-M237 VanDerWaalsContact OD1-CB 3.3Å; D235-M237 WeakPolarHBondContact OD1-CB 3.31Å; D235-M237 PolarHBondContact OD1-N 3.44Å
238H53.4Low49.2Very low172 Ų172143.5 Ų143.580%0.79680%0.803SS**  trans-149.9140.9163.2-82.3-86.1000111.1W236W236-H238 PolarHBondContact O-N 3.06Å
239Q45.8Very low48.8Very low187 Ų187137.8 Ų137.887%0.87480%0.8SS**  trans99.474.9156.6-148.81584400118.3
240W48.5Very low48.7Very low253 Ų253134.8 Ų134.896%0.95880%0.803SS**  trans-136.364.2134.256.818.4000110.2
241S44.6Very low48.2Very low99 Ų99135.3 Ų135.369%0.69281%0.808SS**SBendtrans-136.4120.8163.8-64.70000106.6
242S48.3Very low48.1Very low114 Ų114137.5 Ų137.580%0.79781%0.81SS**  trans46.7119.9157.3-58.60000117.9
243T48.8Very low49Very low128 Ų128136.9 Ų136.979%0.78581%0.805SS**  160.7116.7112.4-67.20000108.4
244A43.1Very low49.5Very low93 Ų93139.6 Ų139.677%0.76981%0.81SS**PPolyproline II helixtrans-70.1132.8163.800000108.9
245P53.2Low49Very low124 Ų124141.4 Ų141.481%0.80582%0.815SS**PPolyproline II helixtrans-84.6118.6168.329.7-28.1000110.7
246A41.8Very low48.8Very low98 Ų98138.8 Ų138.881%0.8182%0.817SS**PPolyproline II helixtrans-63.9148.1153.200000110.7
247A44.6Very low48.3Very low89 Ų89131.7 Ų131.774%0.73680%0.803SS**  trans175.8109.6150.500000107.8
248M42.8Very low48.2Very low189 Ų189129 Ų12993%0.93181%0.806SS**  69.4102.786-64.8-92.8-176.400112.8
249A44.5Very low47.7Very low94 Ų94130.3 Ų130.378%0.77781%0.805SS**  trans173.887.715000000109.4
250V46.1Very low48Very low145 Ų145125.6 Ų125.688%0.87980%0.798SS**  53.8108.2106.6-170.80000114.4
251G41.1Very low47.9Very low77 Ų77121.3 Ų121.379%0.79479%0.794SS**  trans-164.293.6169.800000111.3
252M54.8Low47.9Very low175 Ų175121 Ų12186%0.86280%0.798SS**PPolyproline II helixtrans-68.6141.5-178.9-61.1154.275.500112.2
253P67.2Low47.7Very low119 Ų119120.4 Ų120.477%0.77380%0.799SS**PPolyproline II helixtrans-92.3151156.232.8-29.7000111.8
254P59.8Low47.7Very low130 Ų130119.2 Ų119.284%0.84480%0.802SS**PPolyproline II helixtrans-80.8149-165.332.2-34.4000114.3
255N45.6Very low48Very low173 Ų173119.1 Ų119.193%0.92580%0.802SS**  trans-45.9140.4167.4-112.4-32.5000113.9
256G44.2Very low47.8Very low70 Ų70118.5 Ų118.572%0.72281%0.807SS**  trans177.461.6172.500000115.1
257S45Very low48.4Very low83 Ų83118.5 Ų118.558%0.5881%0.807SS**  trans25.2111.2140.1161.10000118.3Y259S257-Y259 VanDerWaalsContact OG-CE2 3.23Å; S257-Y259 WeakPolarHBondContact OG-CE2 3.41Å; S257-Y259 PolarHBondContact OG-OH 3.25Å
258A48.8Very low49Very low98 Ų98119.7 Ų119.781%0.8181%0.807SS**  -168.9149.4128.300000110.7
259Y43.5Very low49.7Very low198 Ų198116.7 Ų116.778%0.77680%0.799SS**  trans-112.2176.8-153.1-43.1-95.6000110.6S257S257-Y259 VanDerWaalsContact OG-CE2 3.23Å; S257-Y259 WeakPolarHBondContact OG-CE2 3.41Å; S257-Y259 PolarHBondContact OG-OH 3.25Å
260A50.7Low49.7Very low88 Ų88122.4 Ų122.473%0.72780%0.802SS**  trans88.1103.1164.200000115.3
261N46.6Very low50.3Low164 Ų164123.6 Ų123.688%0.87780%0.798SS**  75.1133.768.8-84.3-37.3000114.9
262A45.7Very low50.9Low93 Ų93124.5 Ų124.577%0.76979%0.79SS**  trans96.8110.1144.500000118.4
263A44.2Very low50.7Low101 Ų101124.2 Ų124.284%0.83579%0.787SS**  89.8111.2120.500000118.5
264A48.3Very low49.9Very low102 Ų102126.3 Ų126.384%0.84379%0.791SS**  trans141.9142.6135.600000108.5
265A50.4Low49.6Very low92 Ų92123.9 Ų123.976%0.7678%0.782SS**  cis-178.5160-1400000104
266A49Very low49.4Very low110 Ų110125.4 Ų125.491%0.90978%0.776SS**  trans83.8113.2164.200000118.4
267A53.4Low50.2Low98 Ų98127.4 Ų127.481%0.8178%0.776SS**  trans-116.5-169.2174.300000108.9
268P56.8Low50.9Low115 Ų115134.2 Ų134.275%0.74779%0.791SS**  -126170.8-117.933.3-12000114.7
269T59Low51.4Low125 Ų125138.8 Ų138.877%0.76779%0.793SS**  trans-161.8150.3159.6-36.60000114.4
270Y44.3Very low52Low215 Ų215136.3 Ų136.384%0.84379%0.791SS**  trans8992.2168.1-72.2-82.9000117.1
271H58.9Low52Low169 Ų169140.3 Ų140.378%0.78280%0.795SS**  82.8121.569.6-158.578.6000114.5
272P52.6Low52.1Low97 Ų97141.3 Ų141.363%0.6380%0.795SS**  trans-100.9169.2-173.540.1-33.3000113.3
273Q50.9Low52.6Low169 Ų169141.7 Ų141.779%0.7980%0.798SS**  trans149114.5147.8-79.8-89.432.100109.8
274N50.2Low53.1Low163 Ų163142 Ų14287%0.87280%0.8SS**  trans-147.597.6152.9-132.9-2.7000109.1
275A53.7Low53.7Low78 Ų78145.6 Ų145.665%0.64583%0.83SS**  trans-85.5130.3170.300000108.8
276Y41.1Very low53.8Low206 Ų206148.3 Ų148.381%0.80883%0.833SS**  trans-79.4132.3167-75.3-85.7000109.6
277P61.2Low54.1Low111 Ų111150.3 Ų150.372%0.72183%0.829SS**  -145.9124.6118.832.6-15.4000113.1
278Y59.1Low54.1Low226 Ų226153.2 Ų153.289%0.88683%0.83SS**  trans-88.9110.1166.3-88.8-84.6000110
279F60.7Low54Low194 Ų194155.4 Ų155.485%0.85184%0.835SS**  trans-84.2152.4167.1-121.7-94.4000110.6
280I54.7Low53.6Low146 Ų146157.3 Ų157.375%0.74984%0.839SS**  trans-62.6138.6-177-66.8174.8000113.4
281Q51.2Low54.3Low173 Ų173153.5 Ų153.581%0.80884%0.839SS**  trans-167.7150.5138.1-145.190.451.300112.3
282Q49.6Very low53.9Low185 Ų185152.4 Ų152.486%0.86484%0.843SS**  trans90.2107.3160.1-70.8170.64.700118.7
283A55Low54Low101 Ų101156.6 Ų156.684%0.83586%0.86SS**  -156.8129105.900000109.6
284A54Low54.3Low107 Ų107155.6 Ų155.688%0.88487%0.865SS**  trans-78.1136.3167.600000109.5
285A61.2Low54.7Low177 Ų177154.9 Ų154.9100%1.46387%0.865SS**  trans-163.50149.100000107.6

Retrieved 285 of 285 residues in 47.5 ms (Link to these results)