A0A087Y7T5_POEFO Loading...

Potassium voltage-gated channel, Isk-related family, member 4

AlphaFold DB , UniProt , Accession A0A087Y7T5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 229 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
1M35.3Very low42.4Very low231 Ų231145.5 Ų145.5100%1.13879%0.792SS**  0107.80-79.1162.8155.500108.2L3M1-L3 PolarHBondContact O-N 3.01Å
2T33.6Very low42.9Very low132 Ų132146.2 Ų146.281%0.8179%0.791SS**  trans-85.594.2178.7-28.30000107.7K4T2-K4 VanDerWaalsContact C-N 3.34Å; T2-K4 PolarHBondContact O-N 3.21Å
3L39Very low42.8Very low162 Ų162143.6 Ų143.685%0.84879%0.789SS**  trans-66.196.8168.1-82.295.2000108.1M1 G5M1-L3 PolarHBondContact O-N 3.01Å; L3-G5 VanDerWaalsContact C-N 3.32Å; L3-G5 PolarHBondContact O-N 3.03Å
4K44.6Very low42.7Very low191 Ų191141.9 Ų141.983%0.8379%0.785SS**  trans-86.385.3159.6-73.7-178176.9172.10107.2T2 L6T2-K4 VanDerWaalsContact C-N 3.34Å; T2-K4 PolarHBondContact O-N 3.21Å; K4-L6 PolarHBondContact O-N 3.31Å; K4-L6 VanDerWaalsContact O-N 3.09Å
5G40.5Very low42.9Very low68 Ų68147.5 Ų147.570%0.70179%0.789SS**  trans-67.598166.400000109.2L3 C7L3-G5 VanDerWaalsContact C-N 3.32Å; L3-G5 PolarHBondContact O-N 3.03Å; G5-C7 PolarHBondContact O-N 3.09Å
6L44.3Very low42.9Very low146 Ų146146.2 Ų146.276%0.76479%0.788SS**  trans-82.697167.7-165.872000107.5K4 I8K4-L6 PolarHBondContact O-N 3.31Å; K4-L6 VanDerWaalsContact O-N 3.09Å; L6-I8 HydrophobicContact CD2-CD1 3.55Å; L6-I8 HydrophobicContact CD2-CG1 4.24Å; L6-I8 HydrophobicContact CG-CD1 3.96Å; L6-I8 HydrophobicContact CG-CG1 4.08Å; L6-I8 PolarHBondContact O-N 2.97Å
7C42.8Very low42.5Very low130 Ų130146 Ų14688%0.87879%0.785SS**  trans-68.996.1172.6-74.10000109.8G5G5-C7 PolarHBondContact O-N 3.09Å
8I47Very low42.5Very low116 Ų116144.5 Ų144.560%0.59579%0.785SS**  trans-115.3104.7163.3-59.3169.8000107L6L6-I8 HydrophobicContact CD2-CD1 3.55Å; L6-I8 HydrophobicContact CD2-CG1 4.24Å; L6-I8 HydrophobicContact CG-CD1 3.96Å; L6-I8 HydrophobicContact CG-CG1 4.08Å; L6-I8 PolarHBondContact O-N 2.97Å
9N42.5Very low42.2Very low145 Ų145146.7 Ų146.778%0.77579%0.786SS**THydrogen-bonded Turntrans52.566.2162.5-63.1-44.8000117.3F11N9-F11 PolarHBondContact O-N 3.22Å
10N49.8Very low41.7Very low147 Ų147145.8 Ų145.879%0.78679%0.788SS**THydrogen-bonded Turntrans57.415.4151-103.7-96.5000118
11F47.4Very low41.6Very low133 Ų133145.7 Ų145.758%0.58378%0.783SS**  trans-117.4111.5169.8-131.7-96.6000109N9 C13 F93N9-F11 PolarHBondContact O-N 3.22Å; F11-C13 PolarHBondContact O-N 3.28Å; F11-C13 VanDerWaalsContact O-N 3.08Å; F11-F93 HydrophobicContact CZ-CD2 4.3Å; F11-F93 HydrophobicContact CZ-CE2 4.44Å
12I48.5Very low41.7Very low153 Ų153145.5 Ų145.579%0.78577%0.769SS**  trans-68.3104.8175.4-67.1166000107.3V14I12-V14 HydrophobicContact CG2-CG2 3.85Å; I12-V14 PolarHBondContact O-N 2.95Å
13C41.1Very low41.6Very low113 Ų113143 Ų14376%0.76477%0.769SS**  trans-84.898.6164.2-86.50000108.5F11 R15F11-C13 PolarHBondContact O-N 3.28Å; F11-C13 VanDerWaalsContact O-N 3.08Å; C13-R15 PolarHBondContact O-N 3.37Å
14V41.4Very low41.5Very low120 Ų120143.8 Ų143.873%0.72777%0.769SS**  trans-71.195.3164.8-175.90000107.4I12 V16I12-V14 HydrophobicContact CG2-CG2 3.85Å; I12-V14 PolarHBondContact O-N 2.95Å; V14-V16 HydrophobicContact CG1-CG2 4.28Å
15R46.5Very low40.9Very low225 Ų225143.5 Ų143.585%0.84977%0.771SS**  trans-91104.1164-104.1-167-177.7137.50.2108.4C13C13-R15 PolarHBondContact O-N 3.37Å
16V41.7Very low40.7Very low127 Ų127145.2 Ų145.277%0.7777%0.772SS**  trans-72.1121.2159.4177.80000107V14V14-V16 HydrophobicContact CG1-CG2 4.28Å
17L37.4Very low40.8Very low143 Ų143145.4 Ų145.475%0.74977%0.773SS**  trans-123131.8167.9-133.589.9000109.2
18P41Very low40.4Very low119 Ų119145.2 Ų145.277%0.77377%0.768SS**  trans-80.2160.1-17832.7-32.3000112.8
19K37.5Very low40.5Very low187 Ų187144.7 Ų144.781%0.81378%0.781SS**  trans-49.1164.8-174-117.3-166.7-178.5176.50117
20P32.9Very low40.3Very low127 Ų127144.2 Ų144.283%0.82578%0.778SS**  -129.6168.1128.136.1-24.3000114.1
21Q39.2Very low40.5Very low144 Ų144143.3 Ų143.367%0.67378%0.778SS**  trans-110.6161.6-162.1-142.1-14553.400112.6
22R36.7Very low40.5Very low227 Ų227141.3 Ų141.386%0.85777%0.774SS**  trans94.1126.3143.2-150.8-178.4-63.7159.8-2.4119.6
23G31.5Very low40.8Very low79 Ų79139.3 Ų139.381%0.81477%0.77SS**  trans161.8111158.800000114.4
24Q36.5Very low41.4Very low179 Ų179141.5 Ų141.584%0.83677%0.77SS**  trans-76.6164.8177.9-72.7173.7-14.100114.1
25Q33.2Very low42Very low185 Ų185143.6 Ų143.686%0.86477%0.769SS**  trans129.3111.3146.4-72.5165.978.400110.5
26S35.1Very low42.6Very low104 Ų104137.4 Ų137.473%0.72775%0.753SS**  110.1115.764.7164.90000109.5
27L48.2Very low43.9Very low151 Ų151138.3 Ų138.379%0.79175%0.747SS**  trans59.8107.1141-148.490.4000118.8
28T34.5Very low45.2Very low126 Ų126137.3 Ų137.377%0.77374%0.738SS**  166.8141.810441.80000109D30T28-D30 PolarHBondContact O-N 2.92Å
29A48.4Very low46.6Very low104 Ų104140.5 Ų140.586%0.8674%0.735SS**  trans-59.9114.6174.500000110.6
30D38.2Very low48.3Very low136 Ų136137.2 Ų137.273%0.72772%0.722SS**  trans-141130.2151.9-145.4-26.6000107.6T28 D32T28-D30 PolarHBondContact O-N 2.92Å; D30-D32 VanDerWaalsContact C-N 3.3Å; D30-D32 PolarHBondContact O-N 2.99Å
31T54.4Low50.2Low128 Ų128135.7 Ų135.779%0.78571%0.707SS**  trans-88.578-166.1-37.70000107.5
32D46.5Very low51.9Low91 Ų91132.7 Ų132.749%0.48770%0.695SS.*  trans-78.6129.9178-85.8-45.3000110.7D30 Q34 F35D30-D32 VanDerWaalsContact C-N 3.3Å; D30-D32 PolarHBondContact O-N 2.99Å; D32-Q34 PolarHBondContact O-N 3.49Å; D32-F35 PolarHBondContact O-N 2.88Å
33P55.7Low53.7Low110 Ų110128.5 Ų128.571%0.71468%0.683SS**Hα-helixtrans-62.4-7.2176.525.3-33.6000113.6
34Q52.4Low55.8Low160 Ų160129.4 Ų129.475%0.74867%0.666SS**Hα-helixtrans-76.5-28.1173.1-162.7176.42400112.6D32 H38D32-Q34 PolarHBondContact O-N 3.49Å; Q34-H38 PolarHBondContact O-N 3.35Å
35F55.3Low57.4Low163 Ų163125.6 Ų125.672%0.71565%0.649SS**Hα-helixtrans-74.9-34.5-179.4-114.9-89.8000112.2D32 H38 R39D32-F35 PolarHBondContact O-N 2.88Å; F35-H38 PolarHBondContact O-N 2.81Å; F35-R39 WeakPolarHBondContact O-CB 3.37Å; F35-R39 PolarHBondContact O-N 3.08Å
36D58.3Low59.1Low95 Ų95120.7 Ų120.751%0.50863%0.629SS.*Hα-helixtrans-65.2-40.5175.4-88.4-35.3000111.6H38 R39 E40D36-H38 VanDerWaalsContact C-N 3.3Å; D36-H38 PolarHBondContact O-N 2.98Å; D36-R39 PolarHBondContact O-N 2.88Å; D36-E40 WeakPolarHBondContact O-CB 3.28Å; D36-E40 PolarHBondContact O-N 3.2Å
37F68.8Low60.5Low147 Ų147123 Ų12365%0.64562%0.622SS**Hα-helixtrans-65.4-35176.3-158.6-96.4000112.4L41F37-L41 HydrophobicContact CD1-CD1 3.7Å; F37-L41 HydrophobicContact CD1-CG 4.23Å; F37-L41 HydrophobicContact CE1-CD1 3.72Å; F37-L41 HydrophobicContact CE1-CG 4.13Å; F37-L41 WeakPolarHBondContact O-CB 3.45Å; F37-L41 WeakPolarHBondContact O-CG 3.13Å; F37-L41 PolarHBondContact O-N 3.41Å
38H66.1Low61.1Low122 Ų122121.3 Ų121.357%0.56561%0.613SS**Hα-helixtrans-73-31.3176.5-153.3-68.8000112.1Q34 F35 D36 L42Q34-H38 PolarHBondContact O-N 3.35Å; F35-H38 PolarHBondContact O-N 2.81Å; D36-H38 VanDerWaalsContact C-N 3.3Å; D36-H38 PolarHBondContact O-N 2.98Å; H38-L42 WeakPolarHBondContact O-CB 2.9Å; H38-L42 PolarHBondContact O-N 3.03Å
39R69.9Low62.5Low185 Ų185120.3 Ų120.370%0.69860%0.599SS**Hα-helixtrans-72.1-38.8172.5-165.3-176.8-168.5-1493.4111.7F35 D36 L42 K43F35-R39 WeakPolarHBondContact O-CB 3.37Å; F35-R39 PolarHBondContact O-N 3.08Å; D36-R39 PolarHBondContact O-N 2.88Å; R39-L42 PolarHBondContact O-N 3Å; R39-K43 WeakPolarHBondContact O-CB 3.43Å; R39-K43 PolarHBondContact O-N 3.38Å
40E72Confident63.1Low119 Ų119120.9 Ų120.956%0.55659%0.588SS**Hα-helixtrans-64.5-41.9173.1-148.876.1-157.500110.6D36 K43 E44D36-E40 WeakPolarHBondContact O-CB 3.28Å; D36-E40 PolarHBondContact O-N 3.2Å; E40-K43 PolarHBondContact O-N 3.31Å; E40-E44 WeakPolarHBondContact O-CB 3.49Å; E40-E44 PolarHBondContact O-N 2.9Å
41L73.9Confident63.9Low95 Ų95117.4 Ų117.450%0.49757%0.574SS.*Hα-helixtrans-65.1-38174-86.1167.9000112.8F37 K43 E44 M45F37-L41 HydrophobicContact CD1-CD1 3.7Å; F37-L41 HydrophobicContact CD1-CG 4.23Å; F37-L41 HydrophobicContact CE1-CD1 3.72Å; F37-L41 HydrophobicContact CE1-CG 4.13Å; F37-L41 WeakPolarHBondContact O-CB 3.45Å; F37-L41 WeakPolarHBondContact O-CG 3.13Å; F37-L41 PolarHBondContact O-N 3.41Å; L41-K43 VanDerWaalsContact C-N 3.35Å; L41-E44 PolarHBondContact O-N 2.94Å; L41-M45 VanDerWaalsContact O-CB 3.25Å; L41-M45 WeakPolarHBondContact O-CB 3.15Å; L41-M45 PolarHBondContact O-N 3.32Å
42L73.6Confident63.9Low81 Ų81114.9 Ų114.942%0.42456%0.559SS.*Hα-helixtrans-66-41.1174.8-124.1145.5000110.8H38 R39 M45 D46H38-L42 WeakPolarHBondContact O-CB 2.9Å; H38-L42 PolarHBondContact O-N 3.03Å; R39-L42 PolarHBondContact O-N 3Å; L42-M45 HydrophobicContact CD2-CE 4.4Å; L42-M45 HydrophobicContact CG-CE 4.43Å; L42-M45 PolarHBondContact O-N 2.8Å; L42-D46 WeakPolarHBondContact O-CB 3.44Å; L42-D46 PolarHBondContact O-N 2.75Å
43K75.8Confident64.1Low139 Ų139112.1 Ų112.160%0.60455%0.549SS*.Hα-helixtrans-66.2-37175.5-168178.3-179.4-177.20112.4R39 E40 L41 R47R39-K43 WeakPolarHBondContact O-CB 3.43Å; R39-K43 PolarHBondContact O-N 3.38Å; E40-K43 PolarHBondContact O-N 3.31Å; L41-K43 VanDerWaalsContact C-N 3.35Å; K43-R47 VanDerWaalsContact O-CB 3.27Å; K43-R47 WeakPolarHBondContact O-CB 3.39Å; K43-R47 PolarHBondContact O-N 2.64Å
44E74.9Confident64Low98 Ų98109 Ų10946%0.45853%0.532SS..Hα-helixtrans-75.4-33.4176.7-159.262.9-166.400111.7E40 L41 R47 L48E40-E44 WeakPolarHBondContact O-CB 3.49Å; E40-E44 PolarHBondContact O-N 2.9Å; L41-E44 PolarHBondContact O-N 2.94Å; E44-R47 PolarHBondContact O-N 2.81Å; E44-R47 IonicContact OE1-CZ 3.99Å; E44-R47 IonicContact OE1-NE 3.26Å; E44-R47 PolarHBondContact OE1-NE 3.45Å; E44-R47 IonicContact OE1-NH2 3.96Å; E44-R47 PolarHBondContact OE1-NH2 3.35Å; E44-R47 IonicContact OE2-CZ 3.52Å; E44-R47 IonicContact OE2-NE 3.21Å; E44-R47 PolarHBondContact OE2-NE 3.3Å; E44-R47 IonicContact OE2-NH2 2.88Å; E44-L48 VanDerWaalsContact O-CB 3.31Å; E44-L48 WeakPolarHBondContact O-CB 3.43Å; E44-L48 PolarHBondContact O-N 3.38Å
45M71.1Confident64Low99 Ų99103.9 Ų103.949%0.48851%0.514SS..Hα-helixtrans-65.7-46.7171.4-17017769.600111.2L41 L42 R47 L48 E49L41-M45 VanDerWaalsContact O-CB 3.25Å; L41-M45 WeakPolarHBondContact O-CB 3.15Å; L41-M45 PolarHBondContact O-N 3.32Å; L42-M45 HydrophobicContact CD2-CE 4.4Å; L42-M45 HydrophobicContact CG-CE 4.43Å; L42-M45 PolarHBondContact O-N 2.8Å; M45-R47 VanDerWaalsContact C-N 3.27Å; M45-R47 PolarHBondContact O-N 3.49Å; M45-L48 CarbonylContact O-C 3.56Å; M45-L48 WeakPolarHBondContact O-CB 2.99Å; M45-L48 PolarHBondContact O-N 2.84Å; M45-L48 VanDerWaalsContact O-N 3.09Å; M45-E49 WeakPolarHBondContact O-CG 3.37Å; M45-E49 PolarHBondContact O-N 3.5Å
46D68.4Low63.8Low82 Ų82102.3 Ų102.344%0.43951%0.509SS..Hα-helixtrans-60.2-37.2173.3-82.7-36.3000111.4L42 E49 N50L42-D46 WeakPolarHBondContact O-CB 3.44Å; L42-D46 PolarHBondContact O-N 2.75Å; D46-E49 PolarHBondContact O-N 2.86Å; D46-N50 WeakPolarHBondContact O-CB 3.12Å; D46-N50 PolarHBondContact O-N 3.36Å; D46-N50 PolarHBondContact O-ND2 2.75Å; D46-N50 VanDerWaalsContact O-ND2 3.17Å
47R65Low63.5Low152 Ų152106 Ų10657%0.57452%0.516SS*.Hα-helixtrans-69.7-34.6176.3-158.9172.284.2108.74.5111.9K43 E44 M45 S51K43-R47 VanDerWaalsContact O-CB 3.27Å; K43-R47 WeakPolarHBondContact O-CB 3.39Å; K43-R47 PolarHBondContact O-N 2.64Å; E44-R47 PolarHBondContact O-N 2.81Å; E44-R47 IonicContact OE1-CZ 3.99Å; E44-R47 IonicContact OE1-NE 3.26Å; E44-R47 PolarHBondContact OE1-NE 3.45Å; E44-R47 IonicContact OE1-NH2 3.96Å; E44-R47 PolarHBondContact OE1-NH2 3.35Å; E44-R47 IonicContact OE2-CZ 3.52Å; E44-R47 IonicContact OE2-NE 3.21Å; E44-R47 PolarHBondContact OE2-NE 3.3Å; E44-R47 IonicContact OE2-NH2 2.88Å; M45-R47 VanDerWaalsContact C-N 3.27Å; M45-R47 PolarHBondContact O-N 3.49Å; R47-S51 WeakPolarHBondContact O-CB 3.08Å; R47-S51 PolarHBondContact O-N 3.43Å; R47-S51 PolarHBondContact O-OG 3.43Å
48L61.2Low62.7Low115 Ų115104.9 Ų104.960%0.60252%0.516SS*.Hα-helixtrans-73.2-35.8175.2-166.773000111.6E44 M45 S51 T52E44-L48 VanDerWaalsContact O-CB 3.31Å; E44-L48 WeakPolarHBondContact O-CB 3.43Å; E44-L48 PolarHBondContact O-N 3.38Å; M45-L48 CarbonylContact O-C 3.56Å; M45-L48 WeakPolarHBondContact O-CB 2.99Å; M45-L48 PolarHBondContact O-N 2.84Å; M45-L48 VanDerWaalsContact O-N 3.09Å; L48-S51 CarbonylContact O-C 3.59Å; L48-S51 PolarHBondContact O-N 2.84Å; L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 2.87Å
49E61.9Low61.8Low105 Ų105106 Ų10649%0.49152%0.519SS..Hα-helixtrans-67-42.4173.2-74171.8124.100111M45 D46 S51 T52 A53M45-E49 WeakPolarHBondContact O-CG 3.37Å; M45-E49 PolarHBondContact O-N 3.5Å; D46-E49 PolarHBondContact O-N 2.86Å; E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 2.92Å; E49-T52 WeakPolarHBondContact O-CB 3.25Å; E49-T52 PolarHBondContact O-N 3.31Å; E49-T52 VanDerWaalsContact O-N 3.09Å; E49-A53 PolarHBondContact O-N 2.85Å
50N61.2Low60.7Low116 Ų116100.5 Ų100.562%0.6251%0.509SS*.Hα-helixtrans-64.2-31.5170.9-69.9-25000112.6D46 A54D46-N50 WeakPolarHBondContact O-CB 3.12Å; D46-N50 PolarHBondContact O-N 3.36Å; D46-N50 PolarHBondContact O-ND2 2.75Å; D46-N50 VanDerWaalsContact O-ND2 3.17Å; N50-A54 PolarHBondContact O-N 3.49Å
51S55.5Low59.6Low63 Ų6399.7 Ų99.744%0.44151%0.509SS..Hα-helixtrans-77.3-25.5173.3-580000112.4R47 L48 E49 A54 S55R47-S51 WeakPolarHBondContact O-CB 3.08Å; R47-S51 PolarHBondContact O-N 3.43Å; R47-S51 PolarHBondContact O-OG 3.43Å; L48-S51 CarbonylContact O-C 3.59Å; L48-S51 PolarHBondContact O-N 2.84Å; E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 2.92Å; S51-A54 CarbonylContact O-C 3.59Å; S51-A54 PolarHBondContact O-N 3.44Å; S51-S55 VanDerWaalsContact O-CB 3.23Å; S51-S55 WeakPolarHBondContact O-CB 3.04Å; S51-S55 PolarHBondContact O-N 3.27Å
52T54.2Low58.2Low76 Ų7698.6 Ų98.647%0.46651%0.513SS..Hα-helixtrans-71.9-38.6171-55.70000109.7L48 E49 A54 S55 E56L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 2.87Å; E49-T52 WeakPolarHBondContact O-CB 3.25Å; E49-T52 PolarHBondContact O-N 3.31Å; E49-T52 VanDerWaalsContact O-N 3.09Å; T52-A54 VanDerWaalsContact C-N 3.34Å; T52-S55 CarbonylContact O-C 3.46Å; T52-S55 PolarHBondContact O-N 2.82Å; T52-E56 WeakPolarHBondContact O-CB 3.21Å; T52-E56 WeakPolarHBondContact O-CG 3.42Å; T52-E56 PolarHBondContact O-N 2.82Å
53A51.8Low57Low33 Ų33100.3 Ų100.327%0.27352%0.519SS..Hα-helixtrans-66.2-33.5169.600000112.5E49 R57E49-A53 PolarHBondContact O-N 2.85Å; A53-R57 WeakPolarHBondContact O-CB 3.38Å; A53-R57 WeakPolarHBondContact O-CG 3.43Å; A53-R57 PolarHBondContact O-N 3.19Å
54A53.3Low55.6Low44 Ų4496.3 Ų96.336%0.36451%0.508SS..Hα-helixtrans-73.8-34.1172.400000112.5N50 S51 T52 R57 L58N50-A54 PolarHBondContact O-N 3.49Å; S51-A54 CarbonylContact O-C 3.59Å; S51-A54 PolarHBondContact O-N 3.44Å; T52-A54 VanDerWaalsContact C-N 3.34Å; A54-R57 PolarHBondContact O-N 3.17Å; A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 WeakPolarHBondContact O-CG 3.46Å; A54-L58 PolarHBondContact O-N 3.14Å
55S51.3Low54.4Low52 Ų5295.6 Ų95.636%0.36452%0.519SS..Hα-helixtrans-68.9-44.5172.4-172.70000110.2S51 T52 R57 L58 F59S51-S55 VanDerWaalsContact O-CB 3.23Å; S51-S55 WeakPolarHBondContact O-CB 3.04Å; S51-S55 PolarHBondContact O-N 3.27Å; T52-S55 CarbonylContact O-C 3.46Å; T52-S55 PolarHBondContact O-N 2.82Å; S55-R57 VanDerWaalsContact C-N 3.26Å; S55-R57 PolarHBondContact O-N 2.73Å; S55-L58 CarbonylContact O-C 3.57Å; S55-L58 PolarHBondContact O-N 2.86Å; S55-F59 VanDerWaalsContact O-CB 3.32Å; S55-F59 WeakPolarHBondContact O-CB 3.16Å; S55-F59 WeakPolarHBondContact O-CD2 3.48Å; S55-F59 PolarHBondContact O-N 2.77Å; S55-F59 WeakPolarHBondContact OG-CD2 3.4Å; S55-F59 WeakPolarHBondContact OG-CE2 3.44Å
56E50.9Low53.3Low131 Ų13193.7 Ų93.761%0.61252%0.519SS*.Hα-helixtrans-59.2-37.2171.1-83.9-17412900111.2T52 S60T52-E56 WeakPolarHBondContact O-CB 3.21Å; T52-E56 WeakPolarHBondContact O-CG 3.42Å; T52-E56 PolarHBondContact O-N 2.82Å; E56-S60 WeakPolarHBondContact O-CB 3.31Å; E56-S60 PolarHBondContact O-N 3.09Å; E56-S60 PolarHBondContact O-OG 3.38Å
57R52.2Low52.4Low173 Ų17391.8 Ų91.865%0.65351%0.51SS*.Hα-helixtrans-69-42.3173.2-74.9171.8-171.8165.74.6112.8A53 A54 S55 S60 D61A53-R57 WeakPolarHBondContact O-CB 3.38Å; A53-R57 WeakPolarHBondContact O-CG 3.43Å; A53-R57 PolarHBondContact O-N 3.19Å; A54-R57 PolarHBondContact O-N 3.17Å; S55-R57 VanDerWaalsContact C-N 3.26Å; S55-R57 PolarHBondContact O-N 2.73Å; R57-S60 CarbonylContact O-C 3.5Å; R57-S60 PolarHBondContact O-N 3.48Å; R57-D61 WeakPolarHBondContact O-CB 3.24Å; R57-D61 PolarHBondContact O-N 3.21Å
58L51.8Low51.5Low123 Ų12392.5 Ų92.564%0.64452%0.52SS*.Hα-helixtrans-69.7-34.1175.3-75.9170.9000112.9A54 S55 D61 A62A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 WeakPolarHBondContact O-CG 3.46Å; A54-L58 PolarHBondContact O-N 3.14Å; S55-L58 CarbonylContact O-C 3.57Å; S55-L58 PolarHBondContact O-N 2.86Å; L58-D61 PolarHBondContact O-N 3.47Å; L58-A62 WeakPolarHBondContact O-CB 3.27Å; L58-A62 PolarHBondContact O-N 2.86Å
59F48.7Very low50.9Low146 Ų14691.8 Ų91.864%0.6453%0.525SS*.Hα-helixtrans-68.6-40.7169.4-88.1-78.5000109.9S55 D61 E63S55-F59 VanDerWaalsContact O-CB 3.32Å; S55-F59 WeakPolarHBondContact O-CB 3.16Å; S55-F59 WeakPolarHBondContact O-CD2 3.48Å; S55-F59 PolarHBondContact O-N 2.77Å; S55-F59 WeakPolarHBondContact OG-CD2 3.4Å; S55-F59 WeakPolarHBondContact OG-CE2 3.44Å; F59-D61 VanDerWaalsContact C-N 3.29Å; F59-D61 PolarHBondContact O-N 3.34Å; F59-E63 WeakPolarHBondContact O-CA 3.33Å; F59-E63 WeakPolarHBondContact O-CB 3.36Å; F59-E63 PolarHBondContact O-N 2.82Å
60S46.3Very low50.5Low69 Ų6992.2 Ų92.248%0.48353%0.527SS..Hα-helixtrans-66.5-28173.7-60.40000112.8E56 R57 S64E56-S60 WeakPolarHBondContact O-CB 3.31Å; E56-S60 PolarHBondContact O-N 3.09Å; E56-S60 PolarHBondContact O-OG 3.38Å; R57-S60 CarbonylContact O-C 3.5Å; R57-S60 PolarHBondContact O-N 3.48Å; S60-S64 WeakPolarHBondContact O-CA 3.29Å; S60-S64 WeakPolarHBondContact O-CB 3.33Å; S60-S64 PolarHBondContact O-N 3.21Å; S60-S64 PolarHBondContact O-OG 2.87Å
61D48.6Very low49.8Very low102 Ų10289.7 Ų89.755%0.54552%0.522SS..Hα-helixtrans-84.9-34.7178-74.2-32.3000112.6R57 L58 F59 S64 A65R57-D61 WeakPolarHBondContact O-CB 3.24Å; R57-D61 PolarHBondContact O-N 3.21Å; L58-D61 PolarHBondContact O-N 3.47Å; F59-D61 VanDerWaalsContact C-N 3.29Å; F59-D61 PolarHBondContact O-N 3.34Å; D61-S64 VanDerWaalsContact CA-OG 3.31Å; D61-S64 WeakPolarHBondContact CA-OG 3.25Å; D61-S64 PolarHBondContact O-OG 3.26Å; D61-A65 PolarHBondContact O-N 2.88Å
62A44.8Very low49.5Very low71 Ų7191.4 Ų91.459%0.58754%0.54SS*.Hα-helixtrans-74.1-33.2169.400000111.4L58L58-A62 WeakPolarHBondContact O-CB 3.27Å; L58-A62 PolarHBondContact O-N 2.86Å
63E47.8Very low49.5Very low118 Ų11894.6 Ų94.655%0.55154%0.544SS*.Hα-helixtrans-71.1-40.2170.6-173.9168.7133.800109.6F59 A65 A66 V67F59-E63 WeakPolarHBondContact O-CA 3.33Å; F59-E63 WeakPolarHBondContact O-CB 3.36Å; F59-E63 PolarHBondContact O-N 2.82Å; E63-A65 VanDerWaalsContact C-N 3.33Å; E63-A65 PolarHBondContact O-N 3.49Å; E63-A66 CarbonylContact O-C 3.44Å; E63-A66 WeakPolarHBondContact O-CA 3.39Å; E63-A66 PolarHBondContact O-N 2.96Å; E63-V67 HydrophobicContact CB-CG2 4.4Å; E63-V67 HydrophobicContact CG-CB 4.08Å; E63-V67 HydrophobicContact CG-CG2 3.24Å; E63-V67 WeakPolarHBondContact O-CA 3.12Å; E63-V67 WeakPolarHBondContact O-CB 3.31Å; E63-V67 WeakPolarHBondContact O-CG2 3.45Å; E63-V67 PolarHBondContact O-N 2.91Å
64S47.1Very low49.9Very low55 Ų55101.5 Ų101.539%0.38557%0.57SS.*Hα-helixtrans-62.5-36.5178.668.60000112.7S60 D61 A66 V67 E68S60-S64 WeakPolarHBondContact O-CA 3.29Å; S60-S64 WeakPolarHBondContact O-CB 3.33Å; S60-S64 PolarHBondContact O-N 3.21Å; S60-S64 PolarHBondContact O-OG 2.87Å; D61-S64 VanDerWaalsContact CA-OG 3.31Å; D61-S64 WeakPolarHBondContact CA-OG 3.25Å; D61-S64 PolarHBondContact O-OG 3.26Å; S64-A66 VanDerWaalsContact C-N 3.26Å; S64-A66 PolarHBondContact O-N 2.97Å; S64-V67 PolarHBondContact O-N 3.13Å; S64-E68 WeakPolarHBondContact O-CB 3.42Å; S64-E68 PolarHBondContact O-N 3.43Å
65A49.6Very low50.3Low82 Ų82103.2 Ų103.268%0.67859%0.592SS**Hα-helixtrans-67.4-24.4173.700000113.7D61 E63D61-A65 PolarHBondContact O-N 2.88Å; E63-A65 VanDerWaalsContact C-N 3.33Å; E63-A65 PolarHBondContact O-N 3.49Å
66A47.9Very low50.9Low59 Ų59104.5 Ų104.549%0.48860%0.595SS.*Hα-helixtrans-95.4-27.9174.200000113.1E63 S64 S69E63-A66 CarbonylContact O-C 3.44Å; E63-A66 WeakPolarHBondContact O-CA 3.39Å; E63-A66 PolarHBondContact O-N 2.96Å; S64-A66 VanDerWaalsContact C-N 3.26Å; S64-A66 PolarHBondContact O-N 2.97Å; A66-S69 PolarHBondContact O-OG 3.34Å
67V49Very low51.9Low43 Ų4399.9 Ų99.926%0.26158%0.583SS.*Hα-helixtrans-95.7-11.9-173.7170.70000112.2E63 S64 S69 Q70 A71E63-V67 HydrophobicContact CB-CG2 4.4Å; E63-V67 HydrophobicContact CG-CB 4.08Å; E63-V67 HydrophobicContact CG-CG2 3.24Å; E63-V67 WeakPolarHBondContact O-CA 3.12Å; E63-V67 WeakPolarHBondContact O-CB 3.31Å; E63-V67 WeakPolarHBondContact O-CG2 3.45Å; E63-V67 PolarHBondContact O-N 2.91Å; S64-V67 PolarHBondContact O-N 3.13Å; V67-S69 PolarHBondContact O-N 3.42Å; V67-S69 VanDerWaalsContact O-N 3.12Å; V67-Q70 HydrophobicContact CG1-CB 4.27Å; V67-Q70 CarbonylContact O-C 3.44Å; V67-Q70 WeakPolarHBondContact O-CA 3.11Å; V67-Q70 PolarHBondContact O-N 2.88Å; V67-A71 PolarHBondContact O-N 2.89Å
68E45.7Very low53Low166 Ų16697.4 Ų97.478%0.77658%0.582SS**THydrogen-bonded Turntrans-63.2-15.4165.1-166.7152.7-158.400111.8S64S64-E68 WeakPolarHBondContact O-CB 3.42Å; S64-E68 PolarHBondContact O-N 3.43Å
69S49.3Very low54.5Low100 Ų10093.4 Ų93.470%0.69957%0.567SS**THydrogen-bonded Turntrans-84-16.6165.275.70000114.7A66 V67A66-S69 PolarHBondContact O-OG 3.34Å; V67-S69 PolarHBondContact O-N 3.42Å; V67-S69 VanDerWaalsContact O-N 3.12Å
70Q53.1Low56.2Low114 Ų11490.6 Ų90.653%0.53355%0.553SS.*THydrogen-bonded Turntrans-108-13.2-176.6-66.8-172.1-80.400114.3V67 A72 R73V67-Q70 HydrophobicContact CG1-CB 4.27Å; V67-Q70 CarbonylContact O-C 3.44Å; V67-Q70 WeakPolarHBondContact O-CA 3.11Å; V67-Q70 PolarHBondContact O-N 2.88Å; Q70-A72 PolarHBondContact O-N 2.83Å; Q70-R73 PolarHBondContact O-N 3.45Å
71A46.8Very low58.1Low63 Ų6391.9 Ų91.952%0.52155%0.554SS.*THydrogen-bonded Turntrans-61.9-9.117500000113.7V67 R73V67-A71 PolarHBondContact O-N 2.89Å; A71-R73 VanDerWaalsContact C-N 3.27Å; A71-R73 PolarHBondContact O-N 3.26Å
72A48.9Very low60Low100 Ų10095 Ų9583%0.82656%0.559SS**THydrogen-bonded Turntrans-81.32.6169.800000114.1Q70Q70-A72 PolarHBondContact O-N 2.83Å
73R54.3Low62Low143 Ų14396 Ų9654%0.5455%0.554SS.*  trans-12335.8-171.8-141.7173.9-177.9-163.21.7113.3Q70 A71 G75 Y80Q70-R73 PolarHBondContact O-N 3.45Å; A71-R73 VanDerWaalsContact C-N 3.27Å; A71-R73 PolarHBondContact O-N 3.26Å; R73-G75 PolarHBondContact O-N 3.02Å; R73-Y80 PolarHBondContact NH2-OH 3.37Å
74E60.5Low63.9Low178 Ų17895.5 Ų95.583%0.83255%0.554SS**THydrogen-bonded Turntrans-57.499.1175.1-151.593.8166.100110.4
75G62.7Low66Low80 Ų8098.1 Ų98.183%0.82556%0.563SS**THydrogen-bonded Turntrans147.8-2617300000115.4R73R73-G75 PolarHBondContact O-N 3.02Å
76N63.7Low68Low79 Ų7998.4 Ų98.442%0.42256%0.556SS.*THydrogen-bonded Turntrans-125.66.4-178.8-153.669000114.1N78 A79 Y80N76-N78 VanDerWaalsContact C-N 3.3Å; N76-N78 PolarHBondContact O-N 3.06Å; N76-A79 PolarHBondContact O-N 3.18Å; N76-Y80 HydrophobicContact CB-CD2 4.35Å; N76-Y80 HydrophobicContact CB-CE2 3.9Å; N76-Y80 WeakPolarHBondContact ND2-CE2 3.4Å; N76-Y80 WeakPolarHBondContact O-CD2 3.2Å; N76-Y80 PolarHBondContact O-N 2.8Å
77G70.3Confident70Confident34 Ų34100.9 Ų100.935%0.35156%0.559SS.*Hα-helixtrans-56-40.5-178.100000113.2A79 Y80 L81G77-A79 PolarHBondContact O-N 3.06Å; G77-Y80 PolarHBondContact O-N 2.95Å; G77-Y80 VanDerWaalsContact O-N 3.17Å; G77-L81 WeakPolarHBondContact O-CG 3.39Å; G77-L81 PolarHBondContact O-N 3.17Å
78N77.2Confident72.1Confident120 Ų120102.2 Ų102.264%0.64257%0.57SS**Hα-helixtrans-60.7-42.9-179.6-65.7-20.6000112.6N76 Y80 L81 Y82N76-N78 VanDerWaalsContact C-N 3.3Å; N76-N78 PolarHBondContact O-N 3.06Å; N78-Y80 VanDerWaalsContact C-N 3.34Å; N78-Y80 PolarHBondContact O-N 3.09Å; N78-L81 WeakPolarHBondContact O-CB 3.37Å; N78-L81 PolarHBondContact O-N 2.76Å; N78-Y82 HydrophobicContact CB-CE2 4.44Å; N78-Y82 WeakPolarHBondContact O-CD2 2.94Å; N78-Y82 PolarHBondContact O-N 2.96Å
79A83.3Confident74.3Confident39 Ų39101.3 Ų101.332%0.32256%0.564SS.*Hα-helixtrans-63.5-40.6177.400000111.9N76 G77 Y82 I83N76-A79 PolarHBondContact O-N 3.18Å; G77-A79 PolarHBondContact O-N 3.06Å; A79-Y82 PolarHBondContact O-N 3.5Å; A79-I83 WeakPolarHBondContact O-CD1 3.06Å; A79-I83 VanDerWaalsContact O-CG1 3.25Å; A79-I83 WeakPolarHBondContact O-CG1 3.42Å; A79-I83 PolarHBondContact O-N 3.41Å
80Y83.5Confident76.4Confident87 Ų87103 Ų10334%0.34156%0.556SS.*Hα-helixtrans-65.6-38.9174.3-67.3-68.1000111.9R73 N76 G77 N78 Y82 I83 L84R73-Y80 PolarHBondContact NH2-OH 3.37Å; N76-Y80 HydrophobicContact CB-CD2 4.35Å; N76-Y80 HydrophobicContact CB-CE2 3.9Å; N76-Y80 WeakPolarHBondContact ND2-CE2 3.4Å; N76-Y80 WeakPolarHBondContact O-CD2 3.2Å; N76-Y80 PolarHBondContact O-N 2.8Å; G77-Y80 PolarHBondContact O-N 2.95Å; G77-Y80 VanDerWaalsContact O-N 3.17Å; N78-Y80 VanDerWaalsContact C-N 3.34Å; N78-Y80 PolarHBondContact O-N 3.09Å; Y80-Y82 PolarHBondContact O-N 2.86Å; Y80-I83 HydrophobicContact CD1-CD1 4.49Å; Y80-I83 PolarHBondContact O-N 3.48Å; Y80-L84 WeakPolarHBondContact O-CB 3.46Å; Y80-L84 WeakPolarHBondContact O-CG 3.49Å; Y80-L84 PolarHBondContact O-N 2.88Å
81L85.8Confident78.2Confident96 Ų9699.4 Ų99.450%0.50355%0.549SS..Hα-helixtrans-60.8-43173.9-66.9174.4000111.5G77 N78 I83 L84 I85G77-L81 WeakPolarHBondContact O-CG 3.39Å; G77-L81 PolarHBondContact O-N 3.17Å; N78-L81 WeakPolarHBondContact O-CB 3.37Å; N78-L81 PolarHBondContact O-N 2.76Å; L81-I83 PolarHBondContact O-N 2.73Å; L81-L84 PolarHBondContact O-N 3.39Å; L81-I85 WeakPolarHBondContact O-CB 3.45Å; L81-I85 WeakPolarHBondContact O-CD1 3.34Å; L81-I85 WeakPolarHBondContact O-CG1 3.22Å; L81-I85 PolarHBondContact O-N 3.23Å
82Y88.6Confident80.3Confident168 Ų168101.1 Ų101.166%0.65955%0.553SS**Hα-helixtrans-60.9-44.7173.6-73.1-69.1000112.1N78 A79 Y80 L84 I85 V86N78-Y82 HydrophobicContact CB-CE2 4.44Å; N78-Y82 WeakPolarHBondContact O-CD2 2.94Å; N78-Y82 PolarHBondContact O-N 2.96Å; A79-Y82 PolarHBondContact O-N 3.5Å; Y80-Y82 PolarHBondContact O-N 2.86Å; Y82-L84 PolarHBondContact O-N 3.34Å; Y82-I85 PolarHBondContact O-N 3.49Å; Y82-V86 WeakPolarHBondContact O-CB 3.45Å; Y82-V86 WeakPolarHBondContact O-CG2 3.37Å; Y82-V86 PolarHBondContact O-N 2.97Å
83I87.1Confident82.4Confident92 Ų92100.5 Ų100.547%0.47253%0.531SS..Hα-helixtrans-62.4-44.3177.5-65.6162.2000110.5A79 Y80 L81 V86 M87A79-I83 WeakPolarHBondContact O-CD1 3.06Å; A79-I83 VanDerWaalsContact O-CG1 3.25Å; A79-I83 WeakPolarHBondContact O-CG1 3.42Å; A79-I83 PolarHBondContact O-N 3.41Å; Y80-I83 HydrophobicContact CD1-CD1 4.49Å; Y80-I83 PolarHBondContact O-N 3.48Å; L81-I83 PolarHBondContact O-N 2.73Å; I83-V86 PolarHBondContact O-N 3.32Å; I83-M87 HydrophobicContact CG2-CG 4.12Å; I83-M87 WeakPolarHBondContact O-CB 3.37Å; I83-M87 VanDerWaalsContact O-CG 3.22Å; I83-M87 WeakPolarHBondContact O-CG 3.15Å; I83-M87 PolarHBondContact O-N 3.43Å
84L88.1Confident84Confident107 Ų10796.9 Ų96.956%0.5652%0.522SS*.Hα-helixtrans-63.4-43.5178.8-72.5170.9000111.9Y80 L81 Y82 S88Y80-L84 WeakPolarHBondContact O-CB 3.46Å; Y80-L84 WeakPolarHBondContact O-CG 3.49Å; Y80-L84 PolarHBondContact O-N 2.88Å; L81-L84 PolarHBondContact O-N 3.39Å; Y82-L84 PolarHBondContact O-N 3.34Å; L84-S88 WeakPolarHBondContact O-CB 3.49Å; L84-S88 PolarHBondContact O-N 2.88Å
85I89.7Confident85.2Confident111 Ų11191.5 Ų91.557%0.56950%0.503SS*.Hα-helixtrans-63.4-44.4177-67162.4000110.3L81 Y82 F89L81-I85 WeakPolarHBondContact O-CB 3.45Å; L81-I85 WeakPolarHBondContact O-CD1 3.34Å; L81-I85 WeakPolarHBondContact O-CG1 3.22Å; L81-I85 PolarHBondContact O-N 3.23Å; Y82-I85 PolarHBondContact O-N 3.49Å; I85-F89 VanDerWaalsContact O-CB 3.25Å; I85-F89 WeakPolarHBondContact O-CB 3.42Å; I85-F89 PolarHBondContact O-N 3.2Å
86V92.3Very high86.4Confident88 Ų8889.1 Ų89.153%0.53348%0.479SS..Hα-helixtrans-68.3-45.6-179.1174.40000111.6Y82 I83 F89 Y90Y82-V86 WeakPolarHBondContact O-CB 3.45Å; Y82-V86 WeakPolarHBondContact O-CG2 3.37Å; Y82-V86 PolarHBondContact O-N 2.97Å; I83-V86 PolarHBondContact O-N 3.32Å; V86-F89 PolarHBondContact O-N 3.29Å; V86-Y90 WeakPolarHBondContact O-CB 3.19Å; V86-Y90 PolarHBondContact O-N 3.42Å
87M90.2Very high87.5Confident111 Ų11189 Ų8955%0.54748%0.478SS..Hα-helixtrans-65.3-40.7177.7-68.7-60.6101.900111.7I83 Y90 G91I83-M87 HydrophobicContact CG2-CG 4.12Å; I83-M87 WeakPolarHBondContact O-CB 3.37Å; I83-M87 VanDerWaalsContact O-CG 3.22Å; I83-M87 WeakPolarHBondContact O-CG 3.15Å; I83-M87 PolarHBondContact O-N 3.43Å; M87-Y90 PolarHBondContact O-N 2.72Å; M87-G91 PolarHBondContact O-N 2.98Å
88S92.4Very high88.1Confident71 Ų7192.4 Ų92.450%0.49749%0.486SS..Hα-helixtrans-65.4-47.6176.3178.80000111.5L84 Y90 G91 V92L84-S88 WeakPolarHBondContact O-CB 3.49Å; L84-S88 PolarHBondContact O-N 2.88Å; S88-Y90 VanDerWaalsContact C-N 3.27Å; S88-Y90 PolarHBondContact O-N 3.29Å; S88-G91 PolarHBondContact O-N 2.91Å; S88-G91 VanDerWaalsContact O-N 3.13Å; S88-V92 WeakPolarHBondContact O-CG2 3.17Å; S88-V92 PolarHBondContact O-N 3.3Å
89F92.9Very high88.2Confident147 Ų14790.8 Ų90.865%0.64548%0.477SS*.Hα-helixtrans-58.4-42.7176.5-179.8-101000111.2I85 V86 F93I85-F89 VanDerWaalsContact O-CB 3.25Å; I85-F89 WeakPolarHBondContact O-CB 3.42Å; I85-F89 PolarHBondContact O-N 3.2Å; V86-F89 PolarHBondContact O-N 3.29Å; F89-F93 WeakPolarHBondContact O-CB 3.45Å; F89-F93 PolarHBondContact O-N 2.71Å
90Y92.6Very high88.3Confident136 Ų13690.7 Ų90.753%0.53348%0.48SS..Hα-helixtrans-62.2-44.7175.2-176.6-107.6000112.2V86 M87 S88 F93 L94V86-Y90 WeakPolarHBondContact O-CB 3.19Å; V86-Y90 PolarHBondContact O-N 3.42Å; M87-Y90 PolarHBondContact O-N 2.72Å; S88-Y90 VanDerWaalsContact C-N 3.27Å; S88-Y90 PolarHBondContact O-N 3.29Å; Y90-F93 PolarHBondContact O-N 2.74Å; Y90-L94 HydrophobicContact CD1-CD1 3.81Å; Y90-L94 HydrophobicContact CD1-CG 4.42Å; Y90-L94 HydrophobicContact CD2-CD1 4.48Å; Y90-L94 HydrophobicContact CD2-CG 4.39Å; Y90-L94 HydrophobicContact CE1-CD1 3.26Å; Y90-L94 HydrophobicContact CE1-CG 4.16Å; Y90-L94 HydrophobicContact CE2-CD1 4Å; Y90-L94 HydrophobicContact CE2-CD2 4.35Å; Y90-L94 HydrophobicContact CE2-CG 4.11Å; Y90-L94 HydrophobicContact CG-CD1 4.39Å; Y90-L94 WeakPolarHBondContact O-CB 3.23Å; Y90-L94 VanDerWaalsContact O-CG 3.29Å; Y90-L94 WeakPolarHBondContact O-CG 3.38Å; Y90-L94 PolarHBondContact O-N 3.46Å
91G91.5Very high88Confident37 Ų3792.9 Ų92.938%0.38149%0.488SS..Hα-helixtrans-63.4-47.8177.300000113.1M87 S88 F93 C95M87-G91 PolarHBondContact O-N 2.98Å; S88-G91 PolarHBondContact O-N 2.91Å; S88-G91 VanDerWaalsContact O-N 3.13Å; G91-F93 VanDerWaalsContact C-N 3.35Å; G91-C95 WeakPolarHBondContact O-CB 3.38Å; G91-C95 PolarHBondContact O-N 3Å
92V90.8Very high87.2Confident100 Ų10092.1 Ų92.161%0.60648%0.481SS*.Hα-helixtrans-66.6-38177.4176.20000111S88 G96S88-V92 WeakPolarHBondContact O-CG2 3.17Å; S88-V92 PolarHBondContact O-N 3.3Å; V92-G96 WeakPolarHBondContact O-CA 3.48Å; V92-G96 PolarHBondContact O-N 3.22Å
93F92.5Very high86.2Confident87 Ų8792.1 Ų92.138%0.38248%0.48SS..Hα-helixtrans-65-50.5176.7177.2-101.9000111.2F11 F89 Y90 G91 C95 G96 I97F11-F93 HydrophobicContact CZ-CD2 4.3Å; F11-F93 HydrophobicContact CZ-CE2 4.44Å; F89-F93 WeakPolarHBondContact O-CB 3.45Å; F89-F93 PolarHBondContact O-N 2.71Å; Y90-F93 PolarHBondContact O-N 2.74Å; G91-F93 VanDerWaalsContact C-N 3.35Å; F93-C95 PolarHBondContact O-N 3.22Å; F93-G96 PolarHBondContact O-N 3.39Å; F93-I97 HydrophobicContact CD1-CD1 4.43Å; F93-I97 HydrophobicContact CD2-CG2 4.36Å; F93-I97 HydrophobicContact CE1-CD1 4.02Å; F93-I97 HydrophobicContact CE1-CG2 4.25Å; F93-I97 HydrophobicContact CE2-CG2 3.96Å; F93-I97 HydrophobicContact CZ-CG2 3.9Å; F93-I97 WeakPolarHBondContact O-CG1 3.18Å; F93-I97 WeakPolarHBondContact O-CG2 3.16Å; F93-I97 PolarHBondContact O-N 2.98Å
94L88.7Confident85.1Confident67 Ų6792.4 Ų92.435%0.35149%0.49SS..Hα-helixtrans-59.2-47.8176-75.4-176.1000111.3Y90 G96 I97 M98Y90-L94 HydrophobicContact CD1-CD1 3.81Å; Y90-L94 HydrophobicContact CD1-CG 4.42Å; Y90-L94 HydrophobicContact CD2-CD1 4.48Å; Y90-L94 HydrophobicContact CD2-CG 4.39Å; Y90-L94 HydrophobicContact CE1-CD1 3.26Å; Y90-L94 HydrophobicContact CE1-CG 4.16Å; Y90-L94 HydrophobicContact CE2-CD1 4Å; Y90-L94 HydrophobicContact CE2-CD2 4.35Å; Y90-L94 HydrophobicContact CE2-CG 4.11Å; Y90-L94 HydrophobicContact CG-CD1 4.39Å; Y90-L94 WeakPolarHBondContact O-CB 3.23Å; Y90-L94 VanDerWaalsContact O-CG 3.29Å; Y90-L94 WeakPolarHBondContact O-CG 3.38Å; Y90-L94 PolarHBondContact O-N 3.46Å; L94-G96 VanDerWaalsContact C-N 3.32Å; L94-G96 PolarHBondContact O-N 3.44Å; L94-I97 HydrophobicContact CD2-CD1 4.04Å; L94-I97 WeakPolarHBondContact O-CG1 3.36Å; L94-I97 PolarHBondContact O-N 3.26Å; L94-M98 VanDerWaalsContact O-CB 3.24Å; L94-M98 WeakPolarHBondContact O-CB 3.25Å; L94-M98 PolarHBondContact O-N 3.37Å
95C86.2Confident83.8Confident64 Ų6494.7 Ų94.743%0.43250%0.495SS..Hα-helixtrans-59.7-44.2175.5-172.20000110.9G91 F93 M98 L99G91-C95 WeakPolarHBondContact O-CB 3.38Å; G91-C95 PolarHBondContact O-N 3Å; F93-C95 PolarHBondContact O-N 3.22Å; C95-M98 PolarHBondContact O-N 3.47Å; C95-L99 WeakPolarHBondContact O-CB 3.32Å; C95-L99 WeakPolarHBondContact O-CD1 3.35Å; C95-L99 PolarHBondContact O-N 3.46Å
96G87.3Confident82.5Confident31 Ų3193.2 Ų93.232%0.3248%0.483SS..Hα-helixtrans-63.4-43.4179.500000113.5V92 F93 L94 G100V92-G96 WeakPolarHBondContact O-CA 3.48Å; V92-G96 PolarHBondContact O-N 3.22Å; F93-G96 PolarHBondContact O-N 3.39Å; L94-G96 VanDerWaalsContact C-N 3.32Å; L94-G96 PolarHBondContact O-N 3.44Å; G96-G100 WeakPolarHBondContact O-CA 3.32Å; G96-G100 PolarHBondContact O-N 3.34Å
97I87.4Confident80.7Confident76 Ų7698.3 Ų98.339%0.3950%0.498SS..Hα-helixtrans-72.3-33.6175.266.1177.4000111.5F93 L94 G100 Y101F93-I97 HydrophobicContact CD1-CD1 4.43Å; F93-I97 HydrophobicContact CD2-CG2 4.36Å; F93-I97 HydrophobicContact CE1-CD1 4.02Å; F93-I97 HydrophobicContact CE1-CG2 4.25Å; F93-I97 HydrophobicContact CE2-CG2 3.96Å; F93-I97 HydrophobicContact CZ-CG2 3.9Å; F93-I97 WeakPolarHBondContact O-CG1 3.18Å; F93-I97 WeakPolarHBondContact O-CG2 3.16Å; F93-I97 PolarHBondContact O-N 2.98Å; L94-I97 HydrophobicContact CD2-CD1 4.04Å; L94-I97 WeakPolarHBondContact O-CG1 3.36Å; L94-I97 PolarHBondContact O-N 3.26Å; I97-G100 PolarHBondContact O-N 2.98Å; I97-Y101 WeakPolarHBondContact O-CB 3.44Å; I97-Y101 PolarHBondContact O-N 3.34Å
98M82.3Confident79Confident105 Ų105102 Ų10252%0.51751%0.514SS..Hα-helixtrans-67.9-49.5176.3-142.9-173.16800110.2L94 C95 G100 Y101 F102L94-M98 VanDerWaalsContact O-CB 3.24Å; L94-M98 WeakPolarHBondContact O-CB 3.25Å; L94-M98 PolarHBondContact O-N 3.37Å; C95-M98 PolarHBondContact O-N 3.47Å; M98-G100 VanDerWaalsContact C-N 3.34Å; M98-G100 PolarHBondContact O-N 3.21Å; M98-Y101 PolarHBondContact O-N 3Å; M98-F102 HydrophobicContact CE-CD2 4.4Å; M98-F102 HydrophobicContact CE-CE2 3.93Å; M98-F102 HydrophobicContact CG-CD2 4.07Å; M98-F102 HydrophobicContact CG-CE2 3.7Å; M98-F102 WeakPolarHBondContact O-CB 2.88Å; M98-F102 WeakPolarHBondContact O-CD2 3.37Å; M98-F102 PolarHBondContact O-N 2.88Å; M98-F102 HydrophobicContact SD-CE2 4.21Å
99L79.3Confident77.2Confident87 Ų87107.8 Ų107.846%0.45553%0.53SS..Hα-helixtrans-66.4-35.7175-87.668.1000111.4C95 R103C95-L99 WeakPolarHBondContact O-CB 3.32Å; C95-L99 WeakPolarHBondContact O-CD1 3.35Å; C95-L99 PolarHBondContact O-N 3.46Å; L99-R103 WeakPolarHBondContact O-CB 2.98Å; L99-R103 WeakPolarHBondContact O-CG 3.32Å; L99-R103 PolarHBondContact O-N 3.17Å
100G85.4Confident75.3Confident37 Ų37111.8 Ų111.838%0.38154%0.541SS..Hα-helixtrans-62.7-46.2173.400000111.5G96 I97 M98 R103 S104G96-G100 WeakPolarHBondContact O-CA 3.32Å; G96-G100 PolarHBondContact O-N 3.34Å; I97-G100 PolarHBondContact O-N 2.98Å; M98-G100 VanDerWaalsContact C-N 3.34Å; M98-G100 PolarHBondContact O-N 3.21Å; G100-R103 PolarHBondContact O-N 3.39Å; G100-S104 WeakPolarHBondContact O-CB 3.06Å; G100-S104 PolarHBondContact O-N 2.8Å
101Y76.5Confident73.4Confident132 Ų132113.1 Ų113.152%0.51855%0.545SS..Hα-helixtrans-62.9-47.9174.9175.5-106.2000111.6I97 M98 R103 S104 K105I97-Y101 WeakPolarHBondContact O-CB 3.44Å; I97-Y101 PolarHBondContact O-N 3.34Å; M98-Y101 PolarHBondContact O-N 3Å; Y101-R103 PolarHBondContact O-N 3.39Å; Y101-S104 PolarHBondContact O-N 2.63Å; Y101-K105 HydrophobicContact CE1-CD 4.29Å; Y101-K105 HydrophobicContact CE2-CD 4.27Å; Y101-K105 VanDerWaalsContact O-CB 3.28Å; Y101-K105 WeakPolarHBondContact O-CB 3.22Å; Y101-K105 PolarHBondContact O-N 3.25Å; Y101-K105 PolarHBondContact OH-NZ 2.76Å
102F69.8Low71.7Confident81 Ų81117.3 Ų117.336%0.35556%0.557SS.*Hα-helixtrans-64.5-40176.6-78.1-64000112.1M98 R106M98-F102 HydrophobicContact CE-CD2 4.4Å; M98-F102 HydrophobicContact CE-CE2 3.93Å; M98-F102 HydrophobicContact CG-CD2 4.07Å; M98-F102 HydrophobicContact CG-CE2 3.7Å; M98-F102 WeakPolarHBondContact O-CB 2.88Å; M98-F102 WeakPolarHBondContact O-CD2 3.37Å; M98-F102 PolarHBondContact O-N 2.88Å; M98-F102 HydrophobicContact SD-CE2 4.21Å; F102-R106 WeakPolarHBondContact O-CB 3.05Å; F102-R106 PolarHBondContact O-N 2.73Å
103R67.5Low69.8Low167 Ų167118.9 Ų118.963%0.6356%0.562SS**Hα-helixtrans-70.4-35.2177.1-73.3176.777.3169.14.3112.1L99 G100 Y101L99-R103 WeakPolarHBondContact O-CB 2.98Å; L99-R103 WeakPolarHBondContact O-CG 3.32Å; L99-R103 PolarHBondContact O-N 3.17Å; G100-R103 PolarHBondContact O-N 3.39Å; Y101-R103 PolarHBondContact O-N 3.39Å
104S64.7Low68.1Low98 Ų98117.8 Ų117.869%0.68556%0.56SS**Hα-helixtrans-71.8-39.5177.7-164.50000111.5G100 Y101G100-S104 WeakPolarHBondContact O-CB 3.06Å; G100-S104 PolarHBondContact O-N 2.8Å; Y101-S104 PolarHBondContact O-N 2.63Å
105K60.7Low66.6Low155 Ų155119.1 Ų119.167%0.67456%0.563SS**Hα-helixtrans-81.4-11.7177-151.9175.9-172.2178.80113.8Y101Y101-K105 HydrophobicContact CE1-CD 4.29Å; Y101-K105 HydrophobicContact CE2-CD 4.27Å; Y101-K105 VanDerWaalsContact O-CB 3.28Å; Y101-K105 WeakPolarHBondContact O-CB 3.22Å; Y101-K105 PolarHBondContact O-N 3.25Å; Y101-K105 PolarHBondContact OH-NZ 2.76Å
106R60.8Low65.2Low80 Ų80121 Ų12130%0.30257%0.572SS.*THydrogen-bonded Turntrans-11035-178.4-162-166.3-154.1132.97.8113F102 R111F102-R106 WeakPolarHBondContact O-CB 3.05Å; F102-R106 PolarHBondContact O-N 2.73Å; R106-R111 PolarHBondContact NH2-O 3.42Å
107K55.6Low63.6Low195 Ų195128 Ų12885%0.84859%0.589SS**SBendtrans-95-2.1175.9-116.9-174.6-180-178.70115.8
108E55.2Low62.1Low190 Ų190129.1 Ų129.189%0.88860%0.595SS**SBendtrans-109.2-25.6-178.3-167.2156.3177.400116.3
109K52.9Low60.9Low191 Ų191127.6 Ų127.683%0.8359%0.592SS**SBendtrans-144108.7-179.4-140.5157.4-179171.40111.9
110R52.8Low59.4Low232 Ų232128.9 Ų128.988%0.87560%0.595SS**  trans-4.5145.3171.8-68.8-177.6-179.5172.50.2117.7
111R53.9Low57.9Low163 Ų163133.4 Ų133.462%0.61561%0.606SS**  trans119.269.1141.8-59-143.5-92.1-168.13.5116R106 N113 I114R106-R111 PolarHBondContact NH2-O 3.42Å; R111-N113 PolarHBondContact O-N 2.78Å; R111-I114 HydrophobicContact CB-CD1 3.59Å; R111-I114 HydrophobicContact CB-CG1 3.9Å; R111-I114 HydrophobicContact CG-CD1 4.19Å; R111-I114 PolarHBondContact O-N 3.38Å
112I56Low56.7Low125 Ų125133.2 Ų133.264%0.64161%0.61SS**THydrogen-bonded Turntrans-64-22.4163.4-51.6152.9000110.6I114 F115I112-I114 PolarHBondContact O-N 2.9Å; I112-I114 VanDerWaalsContact O-N 3.14Å; I112-F115 PolarHBondContact O-N 2.87Å
113N51.2Low55.8Low134 Ų134135.2 Ų135.272%0.71762%0.621SS**Hα-helixtrans-65.6-10.5174.1-161.1-92.4000114.7R111R111-N113 PolarHBondContact O-N 2.78Å
114I57Low54.8Low64 Ų64134.2 Ų134.233%0.32862%0.623SS.*Hα-helixtrans-84.7-30.6174-70.3168.5000112.1R111 I112 R117 L118R111-I114 HydrophobicContact CB-CD1 3.59Å; R111-I114 HydrophobicContact CB-CG1 3.9Å; R111-I114 HydrophobicContact CG-CD1 4.19Å; R111-I114 PolarHBondContact O-N 3.38Å; I112-I114 PolarHBondContact O-N 2.9Å; I112-I114 VanDerWaalsContact O-N 3.14Å; I114-R117 CarbonylContact O-C 3.51Å; I114-R117 WeakPolarHBondContact O-CB 3.48Å; I114-R117 PolarHBondContact O-N 3.46Å; I114-R117 VanDerWaalsContact O-N 3.17Å; I114-L118 HydrophobicContact CG2-CD1 4.21Å; I114-L118 PolarHBondContact O-N 2.84Å
115F56.8Low54.2Low95 Ų95139.9 Ų139.942%0.41763%0.63SS.*Hα-helixtrans-74.8-37-174.6-137.6-91.6000111.2I112 R117 L118 V119I112-F115 PolarHBondContact O-N 2.87Å; F115-R117 VanDerWaalsContact C-N 3.27Å; F115-R117 PolarHBondContact O-N 3.31Å; F115-L118 PolarHBondContact O-N 3.4Å; F115-V119 HydrophobicContact CD1-CG2 4.13Å; F115-V119 HydrophobicContact CE1-CG2 4.41Å; F115-V119 WeakPolarHBondContact O-CB 3.31Å; F115-V119 VanDerWaalsContact O-CG2 3.31Å; F115-V119 WeakPolarHBondContact O-CG2 3.37Å; F115-V119 PolarHBondContact O-N 2.97Å
116T55.3Low53.5Low103 Ų103140.4 Ų140.463%0.63263%0.634SS**Hα-helixtrans-65-31.6168.1-43.30000111.8H120T116-H120 WeakPolarHBondContact O-CB 3.11Å; T116-H120 PolarHBondContact O-N 2.62Å
117R54.3Low52.5Low179 Ų179146.8 Ų146.868%0.67566%0.658SS**Hα-helixtrans-74.3-29.7173.8-175.4-179.6157.9154.5-0.8113I114 F115 E121I114-R117 CarbonylContact O-C 3.51Å; I114-R117 WeakPolarHBondContact O-CB 3.48Å; I114-R117 PolarHBondContact O-N 3.46Å; I114-R117 VanDerWaalsContact O-N 3.17Å; F115-R117 VanDerWaalsContact C-N 3.27Å; F115-R117 PolarHBondContact O-N 3.31Å; R117-E121 PolarHBondContact O-N 3.32Å
118L55.4Low52.3Low98 Ų98140.2 Ų140.251%0.51365%0.646SS.*Hα-helixtrans-80.8-41.5177.5-124.677.7000112I114 F115 H120 E121 E122I114-L118 HydrophobicContact CG2-CD1 4.21Å; I114-L118 PolarHBondContact O-N 2.84Å; F115-L118 PolarHBondContact O-N 3.4Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-E121 WeakPolarHBondContact O-CB 3.42Å; L118-E121 PolarHBondContact O-N 3.32Å; L118-E122 PolarHBondContact O-N 2.73Å
119V57.2Low52Low73 Ų73135.9 Ų135.944%0.44264%0.643SS.*Hα-helixtrans-65.3-37172.91730000110.4F115 E121 E122 E123F115-V119 HydrophobicContact CD1-CG2 4.13Å; F115-V119 HydrophobicContact CE1-CG2 4.41Å; F115-V119 WeakPolarHBondContact O-CB 3.31Å; F115-V119 VanDerWaalsContact O-CG2 3.31Å; F115-V119 WeakPolarHBondContact O-CG2 3.37Å; F115-V119 PolarHBondContact O-N 2.97Å; V119-E121 VanDerWaalsContact C-N 3.28Å; V119-E121 PolarHBondContact O-N 3.34Å; V119-E122 PolarHBondContact O-N 3.34Å; V119-E123 PolarHBondContact O-N 2.91Å
120H49.4Very low51.6Low115 Ų115134.8 Ų134.853%0.53265%0.645SS.*Hα-helixtrans-66.3-28.9170.9-172.4-5.8000112.5T116 L118 Q124T116-H120 WeakPolarHBondContact O-CB 3.11Å; T116-H120 PolarHBondContact O-N 2.62Å; L118-H120 VanDerWaalsContact C-N 3.3Å; H120-Q124 PolarHBondContact O-N 3.5Å
121E53Low51.6Low132 Ų132128.9 Ų128.962%0.61764%0.637SS**Hα-helixtrans-74.8-29.9175-147.8-153.2-176.700112.7R117 L118 V119 R125R117-E121 PolarHBondContact O-N 3.32Å; L118-E121 WeakPolarHBondContact O-CB 3.42Å; L118-E121 PolarHBondContact O-N 3.32Å; V119-E121 VanDerWaalsContact C-N 3.28Å; V119-E121 PolarHBondContact O-N 3.34Å; E121-R125 PolarHBondContact O-N 3.37Å
122E52.1Low51Low127 Ų127129.2 Ų129.259%0.59364%0.643SS**Hα-helixtrans-68.1-43174.7-169.9175.3-153.300111.3L118 V119 Q124 R125 E126L118-E122 PolarHBondContact O-N 2.73Å; V119-E122 PolarHBondContact O-N 3.34Å; E122-Q124 VanDerWaalsContact C-N 3.32Å; E122-Q124 PolarHBondContact O-N 3.03Å; E122-R125 WeakPolarHBondContact O-CB 3.37Å; E122-R125 PolarHBondContact O-N 2.98Å; E122-E126 PolarHBondContact O-N 3.04Å
123E51Low50.5Low124 Ų124130.9 Ų130.958%0.57965%0.645SS**Hα-helixtrans-66-31.4176.1-163.1-175140.200112.7V119 R125V119-E123 PolarHBondContact O-N 2.91Å; E123-R125 PolarHBondContact O-N 3.47Å
124Q45.1Very low50.2Low145 Ų145133 Ų13368%0.67865%0.651SS**Hα-helixtrans-68.6-18.6172.3-82.3-89-49.200113.1H120 E122H120-Q124 PolarHBondContact O-N 3.5Å; E122-Q124 VanDerWaalsContact C-N 3.32Å; E122-Q124 PolarHBondContact O-N 3.03Å
125R53.4Low49.2Very low218 Ų218135.4 Ų135.482%0.82367%0.673SS**Hα-helixtrans-91.6-26.7-174.1-130.8-179.7-179.8-172.8-0.4113.3E121 E122 E123E121-R125 PolarHBondContact O-N 3.37Å; E122-R125 WeakPolarHBondContact O-CB 3.37Å; E122-R125 PolarHBondContact O-N 2.98Å; E123-R125 PolarHBondContact O-N 3.47Å
126E45.8Very low48.4Very low165 Ų165135.3 Ų135.377%0.77169%0.69SS**Hα-helixtrans-86.3-16.6178.1-72.4-176135.200113.5E122E122-E126 PolarHBondContact O-N 3.04Å
127W40.1Very low47.7Very low214 Ų214136 Ų13681%0.81170%0.696SS**THydrogen-bonded Turntrans-96.519178.3-74109.1000116.5
128G50.8Low46.8Very low57 Ų57136 Ų13659%0.58870%0.701SS**  trans69.712415600000118.3
129A49.4Very low46.3Very low99 Ų99137 Ų13782%0.81871%0.714SS**  trans62.683.5143.900000119.2
130L44.3Very low45.2Very low168 Ų168138 Ų13888%0.8873%0.73SS**  -148.4111.9128.9-162.469.2000110.7
131P51.7Low44.7Very low108 Ų108138.9 Ų138.970%0.70174%0.743SS**  trans-76.2163.6169.933.6-30.7000109
132K41.5Very low44Very low171 Ų171139.2 Ų139.274%0.74375%0.754SS**  trans98.4105.2144-148.358172.2-161.90115.5
133K45.1Very low43.1Very low160 Ų160138.9 Ų138.970%0.69677%0.766SS**  trans104.5118.3135.1-69.5165.3-179.2-174.50117.6
134H45Very low42.5Very low179 Ų179136.1 Ų136.183%0.82977%0.771SS**  trans45.198.2138.6-66-87.7000116.7
135S37.3Very low42.1Very low114 Ų114137.1 Ų137.180%0.79778%0.78SS**  171.494.4121.844.20000109.8P137S135-P137 WeakPolarHBondContact O-CD 3.2Å
136A39.3Very low41.4Very low93 Ų93137.6 Ų137.677%0.76978%0.781SS**  trans-97.6106.5147.200000106.3
137P41.6Very low40.9Very low118 Ų118133.9 Ų133.977%0.76678%0.779SS**  trans-91.995.6159.926.4-12.9000107.1S135S135-P137 WeakPolarHBondContact O-CD 3.2Å
138F34.6Very low41Very low179 Ų179132.7 Ų132.779%0.78579%0.785SS**  trans-77.3135.4153.3-95.5-81000107.9A140F138-A140 PolarHBondContact O-N 2.84Å
139P44Very low40.1Very low119 Ų119138.6 Ų138.677%0.77380%0.797SS**  trans-82.9120.5-168.933-30.3000109.5
140A35.2Very low39.5Very low94 Ų94139.7 Ų139.778%0.77779%0.793SS**  trans-138.794.8161.100000107.4F138F138-A140 PolarHBondContact O-N 2.84Å
141T37.9Very low38.9Very low133 Ų133136.7 Ų136.782%0.81679%0.787SS**  trans-31134.7162.320.60000114.6
142V39Very low38.6Very low139 Ų139139.4 Ų139.484%0.84279%0.794SS**  trans78.399.4152.2-173.10000116.9
143S33.3Very low38.9Very low120 Ų120137.4 Ų137.484%0.83980%0.799SS**  -175.3124.9110.1-165.20000109.3
144G38.3Very low38.6Very low66 Ų66139.4 Ų139.468%0.6881%0.808SS**  trans-85.7175.9-171.200000115.3
145L36.5Very low38.3Very low166 Ų166136.6 Ų136.687%0.86981%0.807SS**  trans105.6109.5155.8-61.8169.7000118.2
146R38.4Very low38.3Very low227 Ų227134.5 Ų134.586%0.85780%0.804SS**  trans82.9100.8137.9-54.7-101.2-90172.4-5116.1
147A35Very low38Very low88 Ų88137.9 Ų137.973%0.72781%0.809SS**  67.810482.100000114.8
148M42.1Very low38Very low189 Ų189141.1 Ų141.193%0.93181%0.813SS**  trans43.289.5136.6-147.5167-172.300117.9
149Q33.5Very low38Very low181 Ų181134.7 Ų134.785%0.84680%0.798SS**  trans-147.1115.5147.2-79.1-162.412.500106.1
150V35.4Very low37.7Very low121 Ų121136 Ų13673%0.73380%0.798SS**  59114.476.3-179.80000111.8
151S31.5Very low37.8Very low106 Ų106139.7 Ų139.774%0.74180%0.799SS**  trans87127.8155.8-59.30000120.4
152L45.4Very low37.9Very low164 Ų164139.2 Ų139.286%0.85980%0.801SS**  trans-47.1157.1165.6-72.775.8000112.9
153P48.4Very low37.8Very low129 Ų129136 Ų13684%0.83880%0.796SS**  trans-133.3106.3142.233.7-17000111.1
154F38.8Very low38Very low202 Ų202134.3 Ų134.389%0.88679%0.79SS**  trans-122.1118.9143.2-164.8-99.5000107.8
155C38.3Very low38Very low120 Ų120138.7 Ų138.781%0.81180%0.797SS**  trans-94.7138.4-176-174.20000109.3
156G38.4Very low38Very low71 Ų71138.9 Ų138.973%0.73279%0.786SS**  trans166.6100.4167.800000114.2
157N32.8Very low37.7Very low163 Ų163135 Ų13587%0.87278%0.777SS**  trans-49.6139.9174.1-86.1-51.2000114.5
158H40.5Very low37.7Very low186 Ų186138.3 Ų138.386%0.86178%0.778SS**  162.4117.2104.4-154.3-94.3000112.6
159G35Very low37.6Very low45 Ų45132.7 Ų132.746%0.46477%0.768SS.*  trans48.1106.714500000123.3
160N37.7Very low37.7Very low147 Ų147134 Ų13479%0.78677%0.771SS**  trans61.4142.2144.4-47.9-15.7000114
161H38.4Very low38Very low170 Ų170135.4 Ų135.479%0.78777%0.774SS**  -171.213960.7-14-85.1000107.7
162S39.1Very low39Very low123 Ų123135.7 Ų135.786%0.8677%0.773SS**  trans7.6138153.357.90000122.4
163G36Very low38.4Very low71 Ų71133.7 Ų133.773%0.73277%0.772SS**  trans138.787.7148.400000112.6
164A38.3Very low38.3Very low86 Ų86132.5 Ų132.571%0.71177%0.765SS**  86.4121.884.600000113.3
165L38.9Very low38.8Very low158 Ų158131 Ų13183%0.82777%0.765SS**  trans64.2142.2146.8-67161000117.4
166R36.5Very low39Very low170 Ų170130.1 Ų130.164%0.64277%0.767SS**  cis172.1151.7-20-120.1-15874.7104-6.2104.2
167H31.7Very low39.2Very low144 Ų144131.4 Ų131.467%0.66776%0.763SS**  trans64.4147.8153.1-110.25.6000116.4
168E35.8Very low40Very low159 Ų159128.6 Ų128.674%0.74376%0.762SS**  cis-157.2146.321.8-165.3-179.2169.700107.3
169G38.4Very low40.4Very low70 Ų70127.6 Ų127.672%0.72276%0.763SS**  trans-86.3125.5171.700000110.4
170F36.5Very low41.1Very low208 Ų208130.8 Ų130.891%0.91278%0.776SS**  trans-156.1128.9147-157.5-102.5000108.2
171L41.4Very low41.7Very low152 Ų152128.2 Ų128.280%0.79678%0.776SS**  trans-76.7-166-176.6-63.4163.7000110.7
172P52Low42.2Very low112 Ų112129.1 Ų129.173%0.72778%0.78SS**  -129.5151.1-90.738-20000113
173S32.3Very low42.5Very low121 Ų121132.6 Ų132.685%0.84678%0.783SS**  trans-173.9159.1161.7-109.80000113.6
174P47.3Very low42.7Very low105 Ų105133.8 Ų133.868%0.68278%0.78SS**  -123.2176.1-121.635-15.1000113.1
175L48.5Very low42.9Very low171 Ų171134.8 Ų134.890%0.89578%0.782SS**  trans69.986.6164.9-55.2170.4000116.7
176A43.6Very low43.2Very low101 Ų101133.9 Ų133.984%0.83578%0.783SS**  trans-151102.8151.900000111.1
177C41.5Very low43.4Very low98 Ų98131.4 Ų131.466%0.66279%0.792SS**  trans28.493.7155.1-157.80000118.8L179 C180C177-L179 VanDerWaalsContact C-N 3.33Å; C177-L179 PolarHBondContact O-N 2.75Å; C177-C180 VanDerWaalsContact SG-SG 3.61Å
178A49.8Very low44.1Very low103 Ų103130.2 Ų130.285%0.85180%0.799SS**THydrogen-bonded Turntrans-9225.1169.500000113.8
179L48.5Very low44.8Very low166 Ų166130.7 Ų130.787%0.86981%0.806SS**THydrogen-bonded Turntrans-13026.7177.1-69.6-178.9000114C177C177-L179 VanDerWaalsContact C-N 3.33Å; C177-L179 PolarHBondContact O-N 2.75Å
180C49.8Very low44.6Very low111 Ų111133.4 Ų133.475%0.7581%0.813SS**  trans-129.749.1173.8-68.40000112.8C177C177-C180 VanDerWaalsContact SG-SG 3.61Å
181A50.3Low44.7Very low94 Ų94128.9 Ų128.978%0.77781%0.807SS**  trans-131.393.1162.800000107.6
182E48.8Very low44.9Very low188 Ų188127.1 Ų127.188%0.87981%0.807SS**SBendtrans173.6127.2140.3-78-122.5147.800108.8
183Q45.6Very low44.3Very low196 Ų196125.7 Ų125.792%0.91681%0.805SS**  trans82.7134.8-178.4-53.8-1629.200116.8
184S40.8Very low44.5Very low97 Ų97125.5 Ų125.568%0.67879%0.794SS**  cis-171.3131.8-14-174.80000106.5
185S43.6Very low44.4Very low106 Ų106126.9 Ų126.974%0.74180%0.801SS**  trans49.1112.5137.7-45.50000123
186V45.1Very low44.2Very low140 Ų140128.3 Ų128.385%0.84880%0.795SS**  trans-6.4144.1147.8-110.40000121.5
187S40.7Very low44.2Very low118 Ų118131.9 Ų131.983%0.82580%0.799SS**  trans115.1135.9152.7-50.80000113.6
188S46.7Very low44.2Very low119 Ų119132.9 Ų132.983%0.83280%0.802SS**  cis-167164.46.952.70000109.8
189L49.7Very low44.3Very low169 Ų169134.6 Ų134.689%0.88580%0.795SS**  trans-63.8145-176.3-60.5154.9000116.7
190C33.1Very low44.3Very low127 Ų127135.3 Ų135.386%0.85879%0.794SS**  trans153.8107.7142.3-87.80000110.2
191S40.1Very low44.4Very low113 Ų113138.6 Ų138.679%0.7980%0.799SS**  82.4125.182.6-167.50000115.5
192S44.7Very low44.5Very low114 Ų114143.1 Ų143.180%0.79780%0.804SS**  trans76.7132.3153.9-172.80000117.6
193A38.9Very low44.4Very low83 Ų83143.4 Ų143.469%0.68681%0.805SS**  cis-167.2158.5-0.100000110.2
194D37.3Very low44.2Very low116 Ų116138.5 Ų138.562%0.6280%0.798SS**  trans59.4111142.1-148.750.2000119.4R196D194-R196 IonicContact OD1-NE 3.46Å; D194-R196 PolarHBondContact OD1-NE 2.73Å
195T45.1Very low44Very low135 Ų135141.2 Ų141.283%0.82881%0.805SS**  -157.3118.1103.745.40000109.4
196R44.1Very low43.7Very low201 Ų201141.7 Ų141.776%0.75881%0.808SS**  trans-51.1134.6168.7-57.4152.7-174.6-98.4-0.3110.8D194D194-R196 IonicContact OD1-NE 3.46Å; D194-R196 PolarHBondContact OD1-NE 2.73Å
197L44.3Very low43.3Very low176 Ų176138.7 Ų138.792%0.92181%0.805SS**  -143.3106.8129.4-101.3172.1000107.7
198T42.1Very low42.9Very low119 Ų119137.5 Ų137.573%0.7380%0.803SS**  trans-60136.8-176.6-400000110.6
199I51.3Low42.4Very low139 Ų139137.6 Ų137.671%0.71380%0.798SS**  trans-64.9125.1158.9-65.4157.1000107.1E201I199-E201 HydrophobicContact CG2-CG 4.09Å
200E47.9Very low41.8Very low180 Ų180138 Ų13884%0.84180%0.796SS**  trans-117.995.8150-82.7-173.8132.200107.1
201E52.5Low41.8Very low181 Ų181138.7 Ų138.785%0.84679%0.786SS**  trans-65.2113.9144.1-71.7176.9119.300105.8I199I199-E201 HydrophobicContact CG2-CG 4.09Å
202E53Low42.3Very low189 Ų189139 Ų13988%0.88379%0.785SS**  trans-104.595.4171.7-158.2-175.1159.500107.9
203E45.6Very low41.8Very low193 Ų193141.5 Ų141.590%0.90279%0.785SS**  trans-136.1100.7160-158.2179.3-154.300107.8
204A42.1Very low41.4Very low94 Ų94141.6 Ų141.678%0.77779%0.785SS**  trans152.7132.2135.100000113.8
205D36.5Very low41.3Very low154 Ų154142.6 Ų142.682%0.82479%0.791SS**  trans90.497.3144.3-157.828.8000119.8
206S38.2Very low40.9Very low115 Ų115143.3 Ų143.380%0.80479%0.789SS**  169.8127.2109.949.70000112.3
207G36.8Very low40.5Very low77 Ų77143.5 Ų143.579%0.79480%0.795SS**  trans124.791.1154.200000118.2
208A32.3Very low39.9Very low94 Ų94140 Ų14078%0.77779%0.792SS**  trans69.3101.1137.600000121.3
209V36Very low39.7Very low120 Ų120138.3 Ų138.373%0.72779%0.79SS**  66.5110120.6176.70000119
210E37Very low39.4Very low178 Ų178140.4 Ų140.483%0.83280%0.797SS**  trans61.4144.6140.8-61.6-179.9168.700118
211E33.3Very low39.1Very low141 Ų141136.5 Ų136.566%0.65980%0.795SS**  cis-170.4153.9-0.2171.2-173.2131.300103.9
212P48.6Very low38.6Very low119 Ų119136.8 Ų136.877%0.77380%0.796SS**  trans-94.9110.7179.933.7-26.2000112.2
213E35.2Very low37.9Very low168 Ų168133.2 Ų133.279%0.78579%0.792SS**  trans-154144.5166-86-149.4116.800116
214A31.6Very low38.1Very low84 Ų84129.4 Ų129.469%0.69479%0.787SS**  trans69.5110.6142.400000122
215N34.3Very low38.2Very low138 Ų138127.8 Ų127.874%0.73878%0.78SS**  21.8117.4110.8-159.3-35.2000117.1
216L36.2Very low38.9Very low150 Ų150128.5 Ų128.579%0.78578%0.783SS**  162.3109.1124.6-84168.3000112
217K35.2Very low39.9Very low204 Ų204130.5 Ų130.589%0.88779%0.785SS**  31.8104.4127-155.3-172.9-170.9-161.70119
218A33.4Very low41.1Very low104 Ų104132.5 Ų132.586%0.8679%0.787SS**  trans171.7141.3142.200000106.6
219A37.3Very low41.6Very low83 Ų83135.4 Ų135.469%0.68683%0.826SS**  cis-159.8151.426.800000110.4
220Q43.8Very low41.9Very low183 Ų183136.2 Ų136.286%0.85583%0.831SS**  trans58.190.6143.9-67.8-178.8-59.700119.1
221A42.8Very low42.2Very low98 Ų98133.9 Ų133.981%0.8183%0.831SS**  trans-93.6108.1138.500000107.2S223A221-S223 PolarHBondContact O-N 3.12Å
222E41.3Very low42.7Very low186 Ų186133.6 Ų133.687%0.86984%0.84SS**  trans-30.1118.1162.644.6-128.166.700114.8
223S39.2Very low42.3Very low114 Ų114134.4 Ų134.480%0.79784%0.844SS**  trans-95.4122.7169.6172.30000109.3A221A221-S223 PolarHBondContact O-N 3.12Å
224S49.9Very low42.8Very low114 Ų114132.3 Ų132.380%0.79785%0.848SS**  trans-43.6155.1164.853.90000115.9
225G44.2Very low43.5Very low60 Ų60135.5 Ų135.562%0.61986%0.858SS**  trans117.371.2141.100000116.6D227G225-D227 PolarHBondContact O-N 2.82Å
226D49.8Very low44.2Very low168 Ų168135.4 Ų135.490%0.89887%0.867SS**  trans-20.4116.6138.220-53.5000114.4
227D59.9Low44.8Very low158 Ų158134.2 Ų134.285%0.84587%0.873SS**  trans-143.5149163.7-16214.6000111.3G225G225-D227 PolarHBondContact O-N 2.82Å
228S62.6Low45.6Very low118 Ų118128.4 Ų128.483%0.82587%0.872SS**  trans-81.8154.4-157.6-55.50000114.6
229G43.1Very low46.7Very low155 Ų155130.6 Ų130.6100%1.59887%0.873SS**  trans-172.30167.500000112.3

Retrieved 229 of 229 residues in 823.5 ms (Link to these results)