CWC15_HUMAN Loading...

Spliceosome-associated protein CWC15 homolog

Involved in pre-mRNA splicing as component of the spliceosome1,2. Component of the PRP19-CDC5L complex that forms an integral part of the spliceosome and is required for activating pre-mRNA splicing. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs (Probable).

AlphaFold DB , UniProt , Accession Q9P013, Species HUMAN (Homo sapiens, Human), Gene CWC15, 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
1M76Confident89.3Confident244 Ų244135.8 Ų135.8100%1.20276%0.76SS**  0132.20-65.8-176.5-174.700108.2
2T82.7Confident89Confident132 Ų132133.4 Ų133.481%0.8177%0.771SS**  trans-85.3136.3-178520000111.5A4T2-A4 VanDerWaalsContact C-N 3.31Å; T2-A4 PolarHBondContact O-N 3.22Å
3T89Confident88.8Confident116 Ų116133.9 Ų133.971%0.71275%0.752SS**  trans-90.214.4179.853.80000113.9
4A91.8Very high88.4Confident78 Ų78129.9 Ų129.965%0.64576%0.756SS**  trans-70.9-37.7-175.600000113T2 R6T2-A4 VanDerWaalsContact C-N 3.31Å; T2-A4 PolarHBondContact O-N 3.22Å; A4-R6 PolarHBondContact O-N 2.97Å
5A92.8Very high87.6Confident97 Ų97124.3 Ų124.380%0.80274%0.736SS**  trans-76.9117.4174.600000109.7
6R90.1Very high86.3Confident190 Ų190129.4 Ų129.472%0.71774%0.739SS**  trans-119141.8178.7-62.7-172.6171.989.3-0.7109.9A4A4-R6 PolarHBondContact O-N 2.97Å
7P93.6Very high85.4Confident92 Ų92123.6 Ų123.660%0.59771%0.714SS**  trans-66153.8169.330.3-34.2000110.1F9P7-F9 HydrophobicContact CG-CD2 4.39Å; P7-F9 HydrophobicContact CG-CE1 4.27Å; P7-F9 HydrophobicContact CG-CE2 3.64Å; P7-F9 HydrophobicContact CG-CZ 3.57Å; P7-F9 PolarHBondContact O-N 3.27Å
8T92.5Very high84.3Confident133 Ų133129.2 Ų129.282%0.81673%0.729SS**  trans-81.6108.5174.1510000109.4
9F92.3Very high83.3Confident181 Ų181123.7 Ų123.779%0.79470%0.704SS**SBendtrans-87.6-41.1176.5-67.4-75.9000112.6P7P7-F9 HydrophobicContact CG-CD2 4.39Å; P7-F9 HydrophobicContact CG-CE1 4.27Å; P7-F9 HydrophobicContact CG-CE2 3.64Å; P7-F9 HydrophobicContact CG-CZ 3.57Å; P7-F9 PolarHBondContact O-N 3.27Å
10E90.7Very high82.6Confident127 Ų127123.3 Ų123.359%0.59370%0.695SS**SBendtrans-113.3131.9172.4-61.8-157.1138.300109.4R13E10-R13 IonicContact OE1-CZ 3.9Å; E10-R13 IonicContact OE1-NH1 3.57Å; E10-R13 IonicContact OE1-NH2 3.65Å; E10-R13 PolarHBondContact OE1-NH2 3.11Å; E10-R13 IonicContact OE2-CZ 3.81Å; E10-R13 IonicContact OE2-NH1 3.75Å; E10-R13 PolarHBondContact OE2-NH1 2.92Å; E10-R13 VanDerWaalsContact OE2-NH1 3.15Å; E10-R13 IonicContact OE2-NH2 3.61Å
11P91.3Very high82Confident104 Ų104120 Ų12068%0.67569%0.689SS**  trans-68.1153170.230.7-34.1000109.9R13P11-R13 PolarHBondContact O-N 3Å; P11-R13 VanDerWaalsContact O-N 3.15Å
12A85.8Confident81.7Confident107 Ų107113.1 Ų113.188%0.88466%0.657SS**  trans-58120.6172.400000109.8
13R85.6Confident81.1Confident140 Ų140114 Ų11453%0.52866%0.656SS.*  trans-88.3114.7176.9-66.8-177-176.8116.24.7108.6E10 P11E10-R13 IonicContact OE1-CZ 3.9Å; E10-R13 IonicContact OE1-NH1 3.57Å; E10-R13 IonicContact OE1-NH2 3.65Å; E10-R13 PolarHBondContact OE1-NH2 3.11Å; E10-R13 IonicContact OE2-CZ 3.81Å; E10-R13 IonicContact OE2-NH1 3.75Å; E10-R13 PolarHBondContact OE2-NH1 2.92Å; E10-R13 VanDerWaalsContact OE2-NH1 3.15Å; E10-R13 IonicContact OE2-NH2 3.61Å; P11-R13 PolarHBondContact O-N 3Å; P11-R13 VanDerWaalsContact O-N 3.15Å
14G83.4Confident80.4Confident78 Ų78113.6 Ų113.680%0.80466%0.658SS**THydrogen-bonded Turntrans-62.1136.7174.600000111.8
15G76.1Confident79.4Confident45 Ų45116.6 Ų116.646%0.46466%0.659SS.*THydrogen-bonded Turntrans84.97.8168.300000115.3E20G15-E20 PolarHBondContact N-OE2 3.03Å
16R67.9Low78.7Confident207 Ų207118.3 Ų118.378%0.78165%0.654SS**  trans-106.7-8.5172.8-61-152-159.4-996.7113.5E20R16-E20 PolarHBondContact N-OE2 2.92Å
17G69.6Low78.4Confident31 Ų31112.7 Ų112.732%0.3264%0.644SS.*SBendtrans-70.9149.7170.900000112.1G19 E20G17-G19 PolarHBondContact O-N 3.38Å; G17-E20 PolarHBondContact N-OE2 3.22Å; G17-E20 PolarHBondContact O-N 3.45Å
18K66.8Low77.9Confident223 Ų223117 Ų11797%0.9765%0.653SS**THydrogen-bonded Turntrans-60111.1173.3-173.3179.6179.9-1770108.9
19G65.7Low77.8Confident25 Ų25118.6 Ų118.626%0.25865%0.651SS.*THydrogen-bonded Turntrans98-5.9-178.700000115.8G17G17-G19 PolarHBondContact O-N 3.38Å
20E68.1Low77.7Confident115 Ų115118.8 Ų118.854%0.53765%0.648SS.*THydrogen-bonded Turntrans-81.2-22.7-178.5-66.9-177166.200113.9G15 R16 G17G15-E20 PolarHBondContact N-OE2 3.03Å; R16-E20 PolarHBondContact N-OE2 2.92Å; G17-E20 PolarHBondContact N-OE2 3.22Å; G17-E20 PolarHBondContact O-N 3.45Å
21G69.6Low77.8Confident55 Ų55115.3 Ų115.357%0.56764%0.638SS**SBendtrans-84.1-17.1174.900000113.8L23G21-L23 PolarHBondContact O-N 3.26Å
22D69.5Low78Confident99 Ų99115.2 Ų115.253%0.52964%0.639SS.*  trans-85.695.8-179.6-76.5-19.8000109.5S24 Q25D22-S24 PolarHBondContact O-N 2.69Å; D22-Q25 PolarHBondContact O-N 3.39Å
23L71.5Confident78.4Confident151 Ų151120.2 Ų120.279%0.79164%0.635SS**G310 helixtrans-55.8-14.6174.6-61.4176.7000113.1G21 Q25 L26G21-L23 PolarHBondContact O-N 3.26Å; L23-Q25 VanDerWaalsContact C-N 3.28Å; L23-Q25 PolarHBondContact O-N 3.03Å; L23-L26 WeakPolarHBondContact O-CB 3.45Å; L23-L26 PolarHBondContact O-N 3.32Å
24S73.5Confident78.8Confident108 Ų108118.4 Ų118.476%0.75564%0.636SS**G310 helixtrans-68.4-23175.965.90000113.7D22D22-S24 PolarHBondContact O-N 2.69Å
25Q71Confident79.3Confident140 Ų140120 Ų12065%0.65463%0.625SS**G310 helixtrans-93.61.5177.5-62.5-163.6-5.100113.5D22 L23 S27D22-Q25 PolarHBondContact O-N 3.39Å; L23-Q25 VanDerWaalsContact C-N 3.28Å; L23-Q25 PolarHBondContact O-N 3.03Å; Q25-S27 PolarHBondContact O-N 3.07Å; Q25-S27 VanDerWaalsContact O-N 3.11Å
26L77.1Confident80.2Confident134 Ų134123.4 Ų123.470%0.70264%0.64SS**  trans-67.4114.6-179.8-170.863.5000110.2L23L23-L26 WeakPolarHBondContact O-CB 3.45Å; L23-L26 PolarHBondContact O-N 3.32Å
27S83.8Confident81.5Confident71 Ų71117.5 Ų117.550%0.49763%0.63SS.*  trans-60.9138.8176.467.70000110.7Q25 Q29Q25-S27 PolarHBondContact O-N 3.07Å; Q25-S27 VanDerWaalsContact O-N 3.11Å; S27-Q29 PolarHBondContact O-N 2.97Å
28K85Confident82.7Confident184 Ų184124.5 Ų124.580%0.865%0.654SS**  trans-76.533.9175.6-60.1-178.3-179.1178.60113.2Y30K28-Y30 HydrophobicContact CB-CE2 4.45Å; K28-Y30 VanDerWaalsContact O-CD2 3.31Å; K28-Y30 WeakPolarHBondContact O-CD2 3.31Å; K28-Y30 WeakPolarHBondContact O-CE2 3.48Å
29Q90Very high84.1Confident165 Ų165119.4 Ų119.477%0.77164%0.642SS**PPolyproline II helixtrans-78.1122.8175.7-68.1-177.6-11.600108.3S27S27-Q29 PolarHBondContact O-N 2.97Å
30Y89.5Confident85.6Confident186 Ų186127 Ų12773%0.72967%0.668SS**PPolyproline II helixtrans-103.5130.5176-64.4-79.8000109.4K28K28-Y30 HydrophobicContact CB-CE2 4.45Å; K28-Y30 VanDerWaalsContact O-CD2 3.31Å; K28-Y30 WeakPolarHBondContact O-CD2 3.31Å; K28-Y30 WeakPolarHBondContact O-CE2 3.48Å
31S92.9Very high86.9Confident54 Ų54127.9 Ų127.938%0.37868%0.675SS.*PPolyproline II helixtrans-80.5155.7168.5-174.40000110.4R33 D34S31-R33 PolarHBondContact O-N 3.46Å; S31-R33 VanDerWaalsContact O-N 3.1Å; S31-R33 PolarHBondContact OG-N 3.1Å; S31-D34 VanDerWaalsContact CB-OD2 3.24Å; S31-D34 WeakPolarHBondContact CB-OD2 3.35Å; S31-D34 PolarHBondContact N-OD2 3.06Å; S31-D34 PolarHBondContact O-N 2.95Å
32S95.5Very high88.1Confident101 Ų101134.9 Ų134.971%0.70669%0.69SS**THydrogen-bonded Turntrans-57.8-23.5169.757.70000112.6
33R94.9Very high89.3Confident213 Ų213138.8 Ų138.880%0.80470%0.698SS**THydrogen-bonded Turntrans-79.2-19.1176.3-63.2169.266.790.3-1.8113.7S31 L35S31-R33 PolarHBondContact O-N 3.46Å; S31-R33 VanDerWaalsContact O-N 3.1Å; S31-R33 PolarHBondContact OG-N 3.1Å; R33-L35 VanDerWaalsContact C-N 3.33Å
34D93.1Very high90.4Very high102 Ų102139.4 Ų139.455%0.54569%0.69SS.*SBendtrans-89-6.1179.3-55-32.5000112.1S31S31-D34 VanDerWaalsContact CB-OD2 3.24Å; S31-D34 WeakPolarHBondContact CB-OD2 3.35Å; S31-D34 PolarHBondContact N-OD2 3.06Å; S31-D34 PolarHBondContact O-N 2.95Å
35L93.3Very high91.3Very high110 Ų110139.8 Ų139.858%0.57668%0.68SS**SBendtrans-59.4136.2172.8-66.2176.3000109.3R33 S37R33-L35 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.05Å
36P95Very high92.2Very high118 Ų118138.1 Ų138.177%0.76668%0.68SS**  trans-52.6113.1-178.4-28.935.4000112.1T39P36-T39 HydrophobicContact CB-CG2 4.09Å
37S95.3Very high92.9Very high83 Ų83137.7 Ų137.758%0.5868%0.683SS**  trans-136.4151.8175.6650000109.3L35 T39L35-S37 PolarHBondContact O-N 3.05Å; S37-T39 VanDerWaalsContact C-N 3.3Å; S37-T39 PolarHBondContact O-N 3.31Å
38H96.1Very high93.3Very high177 Ų177139.4 Ų139.482%0.81968%0.683SS**  trans50.845.1-176.3-59.2-75.9000114K40H38-K40 PolarHBondContact O-N 3.13Å
39T96.6Very high93.5Very high117 Ų117134.9 Ų134.972%0.71867%0.667SS**  trans-66.2-5.2-176.557.90000114.9P36 S37P36-T39 HydrophobicContact CB-CG2 4.09Å; S37-T39 VanDerWaalsContact C-N 3.3Å; S37-T39 PolarHBondContact O-N 3.31Å
40K96.6Very high93.6Very high183 Ų183127.5 Ų127.580%0.79664%0.635SS**SBendtrans-120.4119.5176.6-63.1-178.1-178.4179.50109.2H38H38-K40 PolarHBondContact O-N 3.13Å
41I95.6Very high93.6Very high135 Ų135122.6 Ų122.669%0.69263%0.626SS**PPolyproline II helixtrans-76136.6171.3-61.2173000108.3
42K95Very high93.4Very high201 Ų201125.2 Ų125.287%0.87463%0.632SS**PPolyproline II helixtrans-85.5127.5176.4-62179.6-177.7179.20109.4
43Y93.9Very high93.1Very high181 Ų181123.8 Ų123.871%0.7161%0.614SS**PPolyproline II helixtrans-96.8145.2171.6-61.5-87.3000110.1Q45Y43-Q45 PolarHBondContact O-N 3.34Å; Y43-Q45 PolarHBondContact O-NE2 3.09Å
44R94.4Very high92.9Very high164 Ų164116.2 Ų116.262%0.61959%0.591SS**PPolyproline II helixtrans-61125.2172-68.5179179.4-92.81.6108.8Q48 D49R44-Q48 PolarHBondContact NH1-O 3.21Å; R44-Q48 VanDerWaalsContact NH1-O 3.13Å; R44-D49 WeakPolarHBondContact CD-O 3.24Å
45Q92.7Very high92.8Very high116 Ų116120.1 Ų120.154%0.54260%0.598SS.*PPolyproline II helixtrans-75.4160.8173.9-59.3-57.7-6500109.8Y43 T47 Q48Y43-Q45 PolarHBondContact O-N 3.34Å; Y43-Q45 PolarHBondContact O-NE2 3.09Å; Q45-T47 PolarHBondContact O-N 3.39Å; Q45-Q48 HydrophobicContact CB-CG 4.45Å; Q45-Q48 PolarHBondContact O-N 3.48Å
46T90.6Very high92.6Very high106 Ų106121.4 Ų121.465%0.6561%0.606SS**THydrogen-bonded Turntrans-53.2135.3160.653.90000107.9E53T46-E53 WeakPolarHBondContact CA-OE1 3.39Å
47T91Very high92.4Very high125 Ų125121.1 Ų121.177%0.76759%0.59SS**THydrogen-bonded Turntrans81.55.6-168.687.90000117.2Q45 E53Q45-T47 PolarHBondContact O-N 3.39Å; T47-E53 WeakPolarHBondContact CA-OE2 3.42Å; T47-E53 PolarHBondContact N-OE1 3.47Å; T47-E53 PolarHBondContact N-OE2 2.93Å
48Q92Very high92.3Very high107 Ų107121.9 Ų121.950%0.559%0.587SS.*SBendtrans-120.742.3177.7-63-172.1-25.900112.8R44 Q45R44-Q48 PolarHBondContact NH1-O 3.21Å; R44-Q48 VanDerWaalsContact NH1-O 3.13Å; Q45-Q48 HydrophobicContact CB-CG 4.45Å; Q45-Q48 PolarHBondContact O-N 3.48Å
49D90.3Very high92.2Very high88 Ų88118.6 Ų118.647%0.47157%0.571SS.*  trans5849.7-171.2-52.3-50.5000110.9R44 V54R44-D49 WeakPolarHBondContact CD-O 3.24Å; D49-V54 HydrophobicContact CB-CG2 3.93Å
50A90.6Very high92.1Very high10 Ų10123.4 Ų123.48%0.08358%0.575CS.*  trans-58.4147169.900000109.2E52 E53 V54A50-E52 PolarHBondContact O-N 3.12Å; A50-E52 VanDerWaalsContact O-N 3.07Å; A50-E53 HydrophobicContact CB-CG 4.41Å; A50-E53 WeakPolarHBondContact O-CB 3.45Å; A50-E53 PolarHBondContact O-N 3.43Å; A50-V54 PolarHBondContact O-N 3.04Å; A50-V54 VanDerWaalsContact O-N 3.09Å
51P90.3Very high92Very high84 Ų84122.6 Ų122.655%0.54557%0.567SS.*Hα-helixtrans-57.6-31.4-173.222.7-34.1000113.3R55P51-R55 VanDerWaalsContact O-CG 3.32Å; P51-R55 WeakPolarHBondContact O-CG 3.32Å; P51-R55 PolarHBondContact O-N 2.65Å; P51-R55 VanDerWaalsContact O-N 3.12Å
52E88.6Confident91.9Very high109 Ų109119.4 Ų119.451%0.50955%0.55SS..Hα-helixtrans-70.3-35.6176.2-56.5-55.1157.400112.7A50 R55 N56A50-E52 PolarHBondContact O-N 3.12Å; A50-E52 VanDerWaalsContact O-N 3.07Å; E52-R55 IonicContact OE1-NH1 3.44Å; E52-R55 IonicContact OE2-NH1 3.59Å; E52-N56 PolarHBondContact O-N 3.09Å; E52-N56 PolarHBondContact O-ND2 2.98Å
53E89.7Confident91.9Very high71 Ų71114.4 Ų114.433%0.33253%0.532SS..Hα-helixtrans-69.6-40.7175.8-69.1166-161.700111.2T46 T47 A50 R55 N56 R57T46-E53 WeakPolarHBondContact CA-OE1 3.39Å; T47-E53 WeakPolarHBondContact CA-OE2 3.42Å; T47-E53 PolarHBondContact N-OE1 3.47Å; T47-E53 PolarHBondContact N-OE2 2.93Å; A50-E53 HydrophobicContact CB-CG 4.41Å; A50-E53 WeakPolarHBondContact O-CB 3.45Å; A50-E53 PolarHBondContact O-N 3.43Å; E53-R55 VanDerWaalsContact C-N 3.32Å; E53-R55 PolarHBondContact O-N 3.02Å; E53-N56 PolarHBondContact O-N 3.36Å; E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 2.67Å
54V91Very high92Very high53 Ų53110.2 Ų110.232%0.32152%0.519SS..Hα-helixtrans-62.4-40.3177.5171.30000110.8D49 A50 N56 R57 F59D49-V54 HydrophobicContact CB-CG2 3.93Å; A50-V54 PolarHBondContact O-N 3.04Å; A50-V54 VanDerWaalsContact O-N 3.09Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 3.45Å; V54-R57 PolarHBondContact O-N 3.15Å; V54-F59 HydrophobicContact CB-CZ 4.26Å; V54-F59 HydrophobicContact CG1-CE2 3.89Å; V54-F59 HydrophobicContact CG1-CZ 3.62Å; V54-F59 VanDerWaalsContact O-CE2 3.25Å; V54-F59 WeakPolarHBondContact O-CE2 3.48Å; V54-F59 WeakPolarHBondContact O-CZ 3.25Å
55R90.2Very high92Very high184 Ų184108.4 Ų108.469%0.69452%0.517SS*.Hα-helixtrans-65.1-35.6178-78172.6174.6175.8-2.9113.3P51 E52 E53 R57P51-R55 VanDerWaalsContact O-CG 3.32Å; P51-R55 WeakPolarHBondContact O-CG 3.32Å; P51-R55 PolarHBondContact O-N 2.65Å; P51-R55 VanDerWaalsContact O-N 3.12Å; E52-R55 IonicContact OE1-NH1 3.44Å; E52-R55 IonicContact OE2-NH1 3.59Å; E53-R55 VanDerWaalsContact C-N 3.32Å; E53-R55 PolarHBondContact O-N 3.02Å; R55-R57 VanDerWaalsContact C-N 3.26Å; R55-R57 PolarHBondContact O-N 3.14Å
56N89.9Confident92.2Very high137 Ų137112 Ų11273%0.73353%0.526SS*.THydrogen-bonded Turntrans-83.70.5-178.2-65.3-22.9000113.3E52 E53 V54E52-N56 PolarHBondContact O-N 3.09Å; E52-N56 PolarHBondContact O-ND2 2.98Å; E53-N56 PolarHBondContact O-N 3.36Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 3.45Å
57R90Very high92.4Very high113 Ų113112.7 Ų112.743%0.42652%0.522SS..  trans-101.2129.7-171.1-167.2167.5-176.5142.2-0112.4E53 V54 R55 F59 E62E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 2.67Å; V54-R57 PolarHBondContact O-N 3.15Å; R55-R57 VanDerWaalsContact C-N 3.26Å; R55-R57 PolarHBondContact O-N 3.14Å; R57-F59 HydrophobicContact CB-CE1 4.26Å; R57-F59 HydrophobicContact CB-CE2 4.39Å; R57-F59 HydrophobicContact CB-CZ 4.01Å; R57-F59 HydrophobicContact CG-CD1 4.39Å; R57-F59 HydrophobicContact CG-CE1 4.07Å; R57-F59 HydrophobicContact CG-CZ 4.33Å; R57-F59 PolarHBondContact O-N 3.27Å; R57-F59 VanDerWaalsContact O-N 3.09Å; R57-E62 IonicContact CZ-OE1 3.5Å; R57-E62 IonicContact CZ-OE2 3.53Å; R57-E62 VanDerWaalsContact CZ-OE2 3.23Å; R57-E62 IonicContact NE-OE1 2.78Å; R57-E62 IonicContact NE-OE2 2.67Å; R57-E62 PolarHBondContact NE-OE2 3.23Å; R57-E62 IonicContact NH2-OE1 3.6Å; R57-E62 PolarHBondContact NH2-OE1 2.93Å; R57-E62 IonicContact NH2-OE2 3.23Å; R57-E62 PolarHBondContact NH2-OE2 3.15Å
58D93.1Very high92.5Very high98 Ų98112.8 Ų112.852%0.52451%0.508SS..  trans-81.979.9175.3-64.4-33.7000111.9R60 R61 E62D58-R60 PolarHBondContact O-N 3.38Å; D58-R60 VanDerWaalsContact O-N 3.14Å; D58-R61 HydrophobicContact CB-CB 4.37Å; D58-R61 PolarHBondContact O-N 2.9Å; D58-R61 IonicContact OD2-CZ 3.04Å; D58-R61 IonicContact OD2-NH2 2.65Å; D58-E62 PolarHBondContact O-N 3.27Å
59F94.1Very high92.6Very high109 Ų109110.4 Ų110.448%0.47851%0.507SS..Hα-helixtrans-56.9-30.8-177.7-66.2-64.9000114.5V54 R57 L63V54-F59 HydrophobicContact CB-CZ 4.26Å; V54-F59 HydrophobicContact CG1-CE2 3.89Å; V54-F59 HydrophobicContact CG1-CZ 3.62Å; V54-F59 VanDerWaalsContact O-CE2 3.25Å; V54-F59 WeakPolarHBondContact O-CE2 3.48Å; V54-F59 WeakPolarHBondContact O-CZ 3.25Å; R57-F59 HydrophobicContact CB-CE1 4.26Å; R57-F59 HydrophobicContact CB-CE2 4.39Å; R57-F59 HydrophobicContact CB-CZ 4.01Å; R57-F59 HydrophobicContact CG-CD1 4.39Å; R57-F59 HydrophobicContact CG-CE1 4.07Å; R57-F59 HydrophobicContact CG-CZ 4.33Å; R57-F59 PolarHBondContact O-N 3.27Å; R57-F59 VanDerWaalsContact O-N 3.09Å; F59-L63 WeakPolarHBondContact O-CB 3.31Å; F59-L63 PolarHBondContact O-N 3.5Å
60R94.1Very high92.7Very high217 Ų217108.7 Ų108.782%0.81951%0.505SS*.Hα-helixtrans-63.2-48.8179.5-174.4-177.8178.6108.50.3111.6D58 E64D58-R60 PolarHBondContact O-N 3.38Å; D58-R60 VanDerWaalsContact O-N 3.14Å; R60-E64 PolarHBondContact O-N 3.37Å; R60-E64 VanDerWaalsContact O-N 3.15Å
61R94.7Very high92.8Very high166 Ų166110.3 Ų110.363%0.62652%0.518SS*.Hα-helixtrans-66.9-44.5-179-177.2-179.965.2-158.6-9.4111D58 E64 E65D58-R61 HydrophobicContact CB-CB 4.37Å; D58-R61 PolarHBondContact O-N 2.9Å; D58-R61 IonicContact OD2-CZ 3.04Å; D58-R61 IonicContact OD2-NH2 2.65Å; R61-E64 PolarHBondContact O-N 2.96Å; R61-E65 WeakPolarHBondContact O-CB 3.39Å; R61-E65 PolarHBondContact O-N 3.15Å
62E94.1Very high92.8Very high69 Ų69114.9 Ų114.932%0.32253%0.525SS..Hα-helixtrans-63.5-43.2179.6-178.8-174.7179.300112.4R57 D58 E64 E65 R66R57-E62 IonicContact CZ-OE1 3.5Å; R57-E62 IonicContact CZ-OE2 3.53Å; R57-E62 VanDerWaalsContact CZ-OE2 3.23Å; R57-E62 IonicContact NE-OE1 2.78Å; R57-E62 IonicContact NE-OE2 2.67Å; R57-E62 PolarHBondContact NE-OE2 3.23Å; R57-E62 IonicContact NH2-OE1 3.6Å; R57-E62 PolarHBondContact NH2-OE1 2.93Å; R57-E62 IonicContact NH2-OE2 3.23Å; R57-E62 PolarHBondContact NH2-OE2 3.15Å; D58-E62 PolarHBondContact O-N 3.27Å; E62-E64 VanDerWaalsContact C-N 3.34Å; E62-E64 PolarHBondContact O-N 3.44Å; E62-E65 PolarHBondContact O-N 2.97Å; E62-R66 VanDerWaalsContact O-CB 3.31Å; E62-R66 WeakPolarHBondContact O-CB 3.18Å; E62-R66 PolarHBondContact O-N 3.44Å
63L95.5Very high92.9Very high96 Ų96115.3 Ų115.350%0.50353%0.527SS..Hα-helixtrans-59.7-48.1177.1-177.4158.6000110.1F59 E65 R66 E67F59-L63 WeakPolarHBondContact O-CB 3.31Å; F59-L63 PolarHBondContact O-N 3.5Å; L63-E65 PolarHBondContact O-N 3.41Å; L63-R66 PolarHBondContact O-N 3.45Å; L63-E67 HydrophobicContact CD2-CG 3.96Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.48Å; L63-E67 WeakPolarHBondContact CD2-OE2 3.33Å; L63-E67 WeakPolarHBondContact O-CB 3.47Å; L63-E67 WeakPolarHBondContact O-CG 3.33Å; L63-E67 PolarHBondContact O-N 3Å
64E95.5Very high92.8Very high92 Ų92119.2 Ų119.243%0.4354%0.543SS..Hα-helixtrans-61.6-42.3179.4-168.3-169.915000112.2R60 R61 E62 E67 R68R60-E64 PolarHBondContact O-N 3.37Å; R60-E64 VanDerWaalsContact O-N 3.15Å; R61-E64 PolarHBondContact O-N 2.96Å; E62-E64 VanDerWaalsContact C-N 3.34Å; E62-E64 PolarHBondContact O-N 3.44Å; E64-E67 PolarHBondContact O-N 3.15Å; E64-R68 VanDerWaalsContact O-CB 3.29Å; E64-R68 WeakPolarHBondContact O-CB 3.32Å; E64-R68 PolarHBondContact O-N 3.48Å; E64-R68 IonicContact OE1-CZ 2.93Å; E64-R68 IonicContact OE1-NH1 3.7Å; E64-R68 IonicContact OE1-NH2 3.15Å; E64-R68 PolarHBondContact OE1-NH2 3.48Å
65E95Very high92.4Very high126 Ų126122.3 Ų122.359%0.58956%0.557SS**Hα-helixtrans-63.7-44.5176.3-175.5175.1-17000111.8R61 E62 L63 R68 A69R61-E65 WeakPolarHBondContact O-CB 3.39Å; R61-E65 PolarHBondContact O-N 3.15Å; E62-E65 PolarHBondContact O-N 2.97Å; L63-E65 PolarHBondContact O-N 3.41Å; E65-R68 PolarHBondContact O-N 3.47Å; E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 3.37Å
66R95.8Very high91.9Very high192 Ų192123.1 Ų123.173%0.72556%0.56SS**Hα-helixtrans-67.2-38.2178.9-171.5171.9174.180.12.9111.9E62 L63 A69 A70E62-R66 VanDerWaalsContact O-CB 3.31Å; E62-R66 WeakPolarHBondContact O-CB 3.18Å; E62-R66 PolarHBondContact O-N 3.44Å; L63-R66 PolarHBondContact O-N 3.45Å; R66-A69 PolarHBondContact O-N 2.92Å; R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 2.89Å
67E94.9Very high90.7Very high121 Ų121121.9 Ų121.957%0.56555%0.554SS**Hα-helixtrans-65.2-42.9172.7-76.1-174.8164.200111.5L63 E64 A69 A70 A71L63-E67 HydrophobicContact CD2-CG 3.96Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.48Å; L63-E67 WeakPolarHBondContact CD2-OE2 3.33Å; L63-E67 WeakPolarHBondContact O-CB 3.47Å; L63-E67 WeakPolarHBondContact O-CG 3.33Å; L63-E67 PolarHBondContact O-N 3Å; E64-E67 PolarHBondContact O-N 3.15Å; E67-A69 PolarHBondContact O-N 2.83Å; E67-A70 PolarHBondContact O-N 2.71Å; E67-A71 VanDerWaalsContact O-CB 3.26Å; E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.4Å
68R93.4Very high89.4Confident127 Ų127124.2 Ų124.248%0.47956%0.562SS.*Hα-helixtrans-61.5-42.8175.2-176177.7-71.1118.42111.6E64 E65 A71 R72E64-R68 VanDerWaalsContact O-CB 3.29Å; E64-R68 WeakPolarHBondContact O-CB 3.32Å; E64-R68 PolarHBondContact O-N 3.48Å; E64-R68 IonicContact OE1-CZ 2.93Å; E64-R68 IonicContact OE1-NH1 3.7Å; E64-R68 IonicContact OE1-NH2 3.15Å; E64-R68 PolarHBondContact OE1-NH2 3.48Å; E65-R68 PolarHBondContact O-N 3.47Å; R68-A71 PolarHBondContact O-N 2.89Å; R68-R72 WeakPolarHBondContact O-CG 3.26Å; R68-R72 PolarHBondContact O-N 3.04Å
69A93.9Very high87.5Confident56 Ų56124.6 Ų124.646%0.46357%0.57SS.*Hα-helixtrans-64.8-46.9175.800000112.1E65 R66 E67 A71 R72 E73E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 3.37Å; R66-A69 PolarHBondContact O-N 2.92Å; E67-A69 PolarHBondContact O-N 2.83Å; A69-A71 VanDerWaalsContact C-N 3.31Å; A69-A71 PolarHBondContact O-N 2.84Å; A69-R72 WeakPolarHBondContact O-CB 3.34Å; A69-R72 PolarHBondContact O-N 3.49Å; A69-R72 VanDerWaalsContact O-N 3.15Å; A69-E73 PolarHBondContact O-N 3.29Å
70A93.4Very high85.4Confident52 Ų52126.2 Ų126.243%0.4359%0.59SS.*Hα-helixtrans-62.8-3717700000112.2R66 E67 E73 K74R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 2.89Å; E67-A70 PolarHBondContact O-N 2.71Å; A70-E73 PolarHBondContact O-N 3.45Å; A70-K74 VanDerWaalsContact O-CB 3.28Å; A70-K74 WeakPolarHBondContact O-CB 3.48Å; A70-K74 PolarHBondContact O-N 3.2Å
71A91.9Very high83.5Confident45 Ų45123.6 Ų123.637%0.37258%0.58SS.*Hα-helixtrans-65.9-38.5174.400000111.9E67 R68 A69 N75E67-A71 VanDerWaalsContact O-CB 3.26Å; E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.4Å; R68-A71 PolarHBondContact O-N 2.89Å; A69-A71 VanDerWaalsContact C-N 3.31Å; A69-A71 PolarHBondContact O-N 2.84Å; A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 3.42Å; A71-N75 PolarHBondContact O-ND2 3.27Å
72R90.1Very high81.3Confident180 Ų180123.6 Ų123.668%0.67959%0.587SS**Hα-helixtrans-64.5-44.7174.6-74.3174.7178.2-150.5-0.1111.8R68 A69 N75 R76R68-R72 WeakPolarHBondContact O-CG 3.26Å; R68-R72 PolarHBondContact O-N 3.04Å; A69-R72 WeakPolarHBondContact O-CB 3.34Å; A69-R72 PolarHBondContact O-N 3.49Å; A69-R72 VanDerWaalsContact O-N 3.15Å; R72-N75 PolarHBondContact O-N 2.97Å; R72-R76 PolarHBondContact O-N 3.1Å
73E89.9Confident78.8Confident118 Ų118129.7 Ų129.755%0.55162%0.615SS**Hα-helixtrans-62.7-48176.6-172.4178.2-17000111.3A69 A70 N75 R76 D77A69-E73 PolarHBondContact O-N 3.29Å; A70-E73 PolarHBondContact O-N 3.45Å; E73-N75 VanDerWaalsContact C-N 3.28Å; E73-N75 PolarHBondContact O-N 3.4Å; E73-R76 PolarHBondContact O-N 3.2Å; E73-R76 VanDerWaalsContact O-N 3.11Å; E73-D77 PolarHBondContact O-N 3.49Å; E73-D77 VanDerWaalsContact O-N 3.16Å
74K88.8Confident76.4Confident153 Ų153130.7 Ų130.767%0.66563%0.625SS**Hα-helixtrans-59.5-36.3177-176-179.9177.1-175.20113A70 R78A70-K74 VanDerWaalsContact O-CB 3.28Å; A70-K74 WeakPolarHBondContact O-CB 3.48Å; A70-K74 PolarHBondContact O-N 3.2Å; K74-R78 WeakPolarHBondContact O-CB 3.34Å; K74-R78 PolarHBondContact O-N 3.43Å
75N81.9Confident74.1Confident118 Ų118132.5 Ų132.563%0.63164%0.642SS**Hα-helixtrans-75.4-33.3177-79.2-49.2000112.4A71 R72 E73 D77 R78A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 3.42Å; A71-N75 PolarHBondContact O-ND2 3.27Å; R72-N75 PolarHBondContact O-N 2.97Å; E73-N75 VanDerWaalsContact C-N 3.28Å; E73-N75 PolarHBondContact O-N 3.4Å; N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact O-N 3.13Å; N75-R78 PolarHBondContact O-N 2.92Å
76R79.1Confident71.6Confident201 Ų201131.8 Ų131.876%0.75865%0.652SS**Hα-helixtrans-65.6-36.8177.2-161.8176.673.5-165.51.5112.2R72 E73R72-R76 PolarHBondContact O-N 3.1Å; E73-R76 PolarHBondContact O-N 3.2Å; E73-R76 VanDerWaalsContact O-N 3.11Å
77D64.7Low68.9Low110 Ų110127.8 Ų127.859%0.58865%0.653SS**THydrogen-bonded Turntrans-90.21.3-177.6-67.6-23.1000114.1E73 N75 P79E73-D77 PolarHBondContact O-N 3.49Å; E73-D77 VanDerWaalsContact O-N 3.16Å; N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact O-N 3.13Å; D77-P79 WeakPolarHBondContact O-CD 3.39Å
78R62.7Low66.1Low162 Ų162127 Ų12761%0.61166%0.661SS**  trans-106.487.5179-164.3168.7-176.5-113.6-2110.3K74 N75 T80K74-R78 WeakPolarHBondContact O-CB 3.34Å; K74-R78 PolarHBondContact O-N 3.43Å; N75-R78 PolarHBondContact O-N 2.92Å; R78-T80 PolarHBondContact O-N 3.47Å
79P53.9Low64Low107 Ų107127.4 Ų127.470%0.69568%0.677SS**  trans-58.2135.2163.126.6-31.7000107.8D77 R81D77-P79 WeakPolarHBondContact O-CD 3.39Å; P79-R81 PolarHBondContact O-N 3.28Å
80T50.6Low61.9Low143 Ų143130.1 Ų130.188%0.87769%0.693SS**  trans-35.589.4174.480000112R78 E82R78-T80 PolarHBondContact O-N 3.47Å; T80-E82 PolarHBondContact O-N 3.37Å
81R54.3Low59.6Low162 Ų162137.6 Ų137.661%0.61172%0.715SS**  trans-87.896.2164.6-174.7167.6163.4158.2-5.5106.3P79 D207P79-R81 PolarHBondContact O-N 3.28Å; R81-D207 IonicContact CZ-OD1 2.9Å; R81-D207 IonicContact NH1-OD1 3.4Å; R81-D207 PolarHBondContact NH1-OD1 2.77Å; R81-D207 IonicContact NH2-OD1 3.76Å; R81-D207 PolarHBondContact NH2-OD1 3.47Å; R81-D207 IonicContact NH2-OD2 2.86Å
82E46.9Very low57.7Low165 Ų165145.3 Ų145.377%0.77174%0.741SS**  trans-46142.5177.9-67.3-170.415400112.4T80 T84T80-E82 PolarHBondContact O-N 3.37Å; E82-T84 PolarHBondContact O-N 2.9Å
83H42Very low55.6Low197 Ų197142.6 Ų142.691%0.91275%0.747SS**  trans-50.1116165.5-91-76.4000111.3
84T45.4Very low53.6Low117 Ų117148.9 Ų148.972%0.71877%0.765SS**  trans-139.1131150.961.80000109.6E82E82-T84 PolarHBondContact O-N 2.9Å
85T47.7Very low51.8Low130 Ų130148.9 Ų148.980%0.79877%0.772SS**  trans83.673.7165.280.50000117.8
86S41.3Very low50.3Low112 Ų112149.7 Ų149.778%0.78378%0.776SS**  -34.1133.8126.638.70000113.5
87S40.3Very low49.2Very low107 Ų107149.7 Ų149.775%0.74879%0.785SS**  163.8119.2124.249.70000113.9
88S36.5Very low48.8Very low105 Ų105152.1 Ų152.173%0.73480%0.796SS**  trans74.9150.9145.773.10000120.6
89V48.1Very low48Very low135 Ų135150.2 Ų150.282%0.81880%0.804SS**  trans69.1110.7172.2-67.40000117
90S50.1Low47.9Very low114 Ų114150 Ų15080%0.79781%0.811SS**  cis-162.113326.6-67.80000111.1
91K44.4Very low48.1Very low208 Ų208146.7 Ų146.790%0.90480%0.799SS**  trans-65.7131.2171.9-65.2171.7176.41750111
92K53.5Low47.6Very low207 Ų207146.2 Ų146.290%0.981%0.808SS**  trans-141.7110.1152.1-77-170.6172.1-1780108.6
93P44.9Very low47.9Very low124 Ų124145.9 Ų145.981%0.80581%0.811SS**  trans-89.9141175.334.7-28.3000110.6
94R48.9Very low48.1Very low250 Ų250143.8 Ų143.894%0.94381%0.807SS**  trans-128.994.5162.2-108.2-176.1154.4108.3-1.1103.6
95L50Low48.2Very low153 Ų153141.9 Ų141.980%0.80180%0.803SS**  54.4122.982.9-162.765.9000112.6
96D51.2Low48.1Very low134 Ų134143.6 Ų143.672%0.71781%0.807SS**  trans96.176.1171.4-56.5-31.8000118.7
97Q56.2Low48.7Very low202 Ų202145.7 Ų145.794%0.94481%0.809SS**  -166.9136.7116.2-109.9171.525.800112.1
98I55.2Low49.3Very low160 Ų160145.5 Ų145.582%0.82181%0.806SS**  trans-91.6154.8-158-67.8162.1000111.1
99P47.5Very low49.8Very low122 Ų122148.2 Ų148.279%0.79281%0.811SS**  trans-101.5161.3-158.737.6-28.2000114.2
100A50.8Low49.6Very low102 Ų102148.2 Ų148.284%0.84381%0.812SS**  trans-146.3143.716000000108.2
101A54.3Low49.3Very low75 Ų75150 Ų15062%0.6281%0.812SS**  cis-175.4111.5-19.300000102.6
102N44.9Very low49.5Very low151 Ų151148 Ų14881%0.80781%0.806SS**  trans58.6157149.1-52.4-42.6000121
103L52.2Low49.1Very low158 Ų158145.9 Ų145.983%0.82780%0.799SS**  trans98.290.8163.8-63.4125000114.2
104D46.6Very low49.1Very low153 Ų153147.1 Ų147.182%0.81880%0.799SS**  64.8125.859.2-156.643000109.5
105A47.3Very low49.1Very low77 Ų77143.9 Ų143.964%0.63680%0.795SS**  cis-159.4169.513.100000108
106D46.2Very low49Very low166 Ų166143.8 Ų143.889%0.88880%0.795SS**  trans-39.4134.8156.3-91.2-45.3000112.9
107D54.5Low49.1Very low156 Ų156146.9 Ų146.983%0.83480%0.803SS**  trans-144.1122.9148.4-159.125000110.8
108P52Low48.6Very low103 Ų103146.1 Ų146.167%0.66980%0.799SS**  trans-99.6150.5-174.336.9-30.9000114.1
109L46.7Very low48.6Very low162 Ų162146.9 Ų146.985%0.84880%0.799SS**  trans58.4115.9147.4-156.994.1000118.7
110T43.4Very low48.6Very low135 Ų135149.3 Ų149.383%0.82880%0.8SS**  -161.8113.4127.143.50000110.8
111D44.5Very low48.2Very low152 Ų152149.7 Ų149.781%0.81380%0.797SS**  trans-60.5132.7145.6-153.911.1000107.3
112E48Very low48Very low166 Ų166151.8 Ų151.878%0.77680%0.797SS**  trans172.2110.8151.1-96.2167.6-148.900110.5
113E45.9Very low48.5Very low162 Ų162151.4 Ų151.476%0.75780%0.795SS**  64.1115.1129.2-61.1179.4179.600120.3
114D44.4Very low48.7Very low150 Ų150150.4 Ų150.480%0.80279%0.791SS**  trans42.4120.5131.5-60.7-27.5000119.2
115E50.1Low49.3Very low182 Ų182148.8 Ų148.885%0.8578%0.782SS**  -166.5117126.3-105.5169.4-157.700111
116D46.6Very low49.9Very low152 Ų152148.9 Ų148.981%0.81378%0.775SS**  trans-50.2131.5170.5-80-46.5000112.5
117F53.4Low50.8Low199 Ų199143.7 Ų143.787%0.87376%0.755SS**  trans-139.8104.9152.6-93.7-85.9000110
118E46.6Very low51.3Low186 Ų186139.2 Ų139.287%0.86974%0.739SS**  trans-69.5130.7166-65.4-178.4159.900110.8
119E53.7Low51.7Low176 Ų176139.4 Ų139.482%0.82274%0.735SS**  trans-170.797.3150-123.1174.5-179.300107.1
120E48.7Very low52.9Low173 Ų173137 Ų13781%0.80872%0.722SS**  95.7115.891.7-172155.4-153.300112.4
121S43.1Very low54.4Low110 Ų110133.3 Ų133.377%0.76971%0.705SS**  trans78.682.2148.9-173.70000120
122D49.6Very low55.7Low118 Ų118131.7 Ų131.763%0.63169%0.693SS**  -167.298.8126.6-134.1-7.9000111.2D124D122-D124 PolarHBondContact O-N 3Å
123D54.8Low56.9Low143 Ų143128 Ų12877%0.76568%0.678SS**THydrogen-bonded Turntrans-82.8-4.8-167.3-156.724.3000114
124D56.1Low58.5Low138 Ų138127 Ų12774%0.73867%0.673SS**THydrogen-bonded Turntrans-95.7-32-174.9-99.4-21.9000114.1D122D122-D124 PolarHBondContact O-N 3Å
125D59.3Low60.1Low119 Ų119127 Ų12764%0.63667%0.666SS**Hα-helixtrans-83.4-26.8-177.6-81.8-19.9000113.3L129D125-L129 PolarHBondContact O-N 3.47Å
126T61Low61.2Low79 Ų79122 Ų12249%0.48564%0.644SS.*Hα-helixtrans-74.8-34.5177.658.60000112.2L129 L130T126-L129 PolarHBondContact O-N 3.48Å; T126-L130 PolarHBondContact O-N 2.93Å; T126-L130 VanDerWaalsContact O-N 3.13Å
127A63.6Low62.8Low57 Ų57122 Ų12247%0.47164%0.637SS.*Hα-helixtrans-65.2-38.1175.500000112.2A131A127-A131 PolarHBondContact O-N 3.36Å
128A65.3Low64.2Low61 Ų61119.9 Ų119.950%0.50463%0.627SS.*Hα-helixtrans-65.7-41.7176.900000112.5A131 E132A128-A131 PolarHBondContact O-N 2.9Å; A128-E132 PolarHBondContact O-N 2.91Å
129L61.1Low65.9Low108 Ų108117.1 Ų117.157%0.56562%0.615SS**Hα-helixtrans-69.7-36.1178.4-88.9168.3000113.4D125 T126 E132 L133D125-L129 PolarHBondContact O-N 3.47Å; T126-L129 PolarHBondContact O-N 3.48Å; L129-E132 PolarHBondContact O-N 2.97Å; L129-L133 PolarHBondContact O-N 2.99Å
130L72.1Confident67.2Low110 Ų110117.5 Ų117.558%0.57661%0.609SS**Hα-helixtrans-67.6-38.7175.3-73.2175.4000112.1T126 E132 L133 E134T126-L130 PolarHBondContact O-N 2.93Å; T126-L130 VanDerWaalsContact O-N 3.13Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.38Å; L130-L133 PolarHBondContact O-N 3.16Å; L130-E134 WeakPolarHBondContact O-CG 3.48Å; L130-E134 PolarHBondContact O-N 3.48Å
131A74.7Confident68.8Low59 Ų59112.1 Ų112.149%0.48859%0.593SS.*Hα-helixtrans-64.3-35.9174.900000112.5A127 A128 K135A127-A131 PolarHBondContact O-N 3.36Å; A128-A131 PolarHBondContact O-N 2.9Å; A131-K135 WeakPolarHBondContact O-CB 3.44Å; A131-K135 PolarHBondContact O-N 3.44Å; A131-K135 VanDerWaalsContact O-N 3.1Å
132E71.8Confident70.7Confident117 Ų117113.6 Ų113.655%0.54759%0.588SS.*Hα-helixtrans-71.5-39.1174.9-164.5172.2-16500112A128 L129 L130 K135 I136A128-E132 PolarHBondContact O-N 2.91Å; L129-E132 PolarHBondContact O-N 2.97Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.38Å; E132-K135 WeakPolarHBondContact O-CB 3.43Å; E132-K135 PolarHBondContact O-N 2.9Å; E132-I136 HydrophobicContact CG-CD1 4.37Å; E132-I136 WeakPolarHBondContact O-CG1 3.28Å; E132-I136 PolarHBondContact O-N 3.31Å
133L73.4Confident72.1Confident88 Ų88113.9 Ų113.946%0.46159%0.586SS.*Hα-helixtrans-64.4-39.8173.4-83.1176.1000113L129 L130 K135 I136 K137L129-L133 PolarHBondContact O-N 2.99Å; L130-L133 PolarHBondContact O-N 3.16Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-I136 PolarHBondContact O-N 3.11Å; L133-K137 WeakPolarHBondContact O-CB 3.28Å; L133-K137 WeakPolarHBondContact O-CG 3.44Å; L133-K137 PolarHBondContact O-N 3.44Å
134E78.8Confident73.6Confident142 Ų142113.6 Ų113.666%0.66458%0.58SS**Hα-helixtrans-64.6-37.9174.2-76.4-172.9170.900111.8L130 K137 K138L130-E134 WeakPolarHBondContact O-CG 3.48Å; L130-E134 PolarHBondContact O-N 3.48Å; E134-K137 PolarHBondContact O-N 2.98Å; E134-K138 VanDerWaalsContact O-CB 3.28Å; E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 PolarHBondContact O-N 3.05Å
135K77.8Confident75Confident150 Ų150109.3 Ų109.365%0.65256%0.563SS**Hα-helixtrans-63.7-44174.2-169-179.9177.3-172.90111.8A131 E132 L133 K138 E139A131-K135 WeakPolarHBondContact O-CB 3.44Å; A131-K135 PolarHBondContact O-N 3.44Å; A131-K135 VanDerWaalsContact O-N 3.1Å; E132-K135 WeakPolarHBondContact O-CB 3.43Å; E132-K135 PolarHBondContact O-N 2.9Å; L133-K135 VanDerWaalsContact C-N 3.32Å; K135-K138 PolarHBondContact O-N 3.24Å; K135-E139 WeakPolarHBondContact O-CB 3.5Å; K135-E139 PolarHBondContact O-N 2.88Å
136I74.3Confident76.2Confident76 Ų76111.6 Ų111.639%0.3956%0.563SS.*Hα-helixtrans-66.4-40.7177.2-67.1166.6000111.4E132 L133 E139 R140E132-I136 HydrophobicContact CG-CD1 4.37Å; E132-I136 WeakPolarHBondContact O-CG1 3.28Å; E132-I136 PolarHBondContact O-N 3.31Å; L133-I136 PolarHBondContact O-N 3.11Å; I136-E139 PolarHBondContact O-N 3.47Å; I136-R140 WeakPolarHBondContact O-CB 3.46Å; I136-R140 PolarHBondContact O-N 3.49Å
137K79.8Confident77.4Confident152 Ų152114 Ų11466%0.66157%0.567SS**Hα-helixtrans-64.3-41.1175.3-78.9179.6179.1174.10111.6L133 E134 A141L133-K137 WeakPolarHBondContact O-CB 3.28Å; L133-K137 WeakPolarHBondContact O-CG 3.44Å; L133-K137 PolarHBondContact O-N 3.44Å; E134-K137 PolarHBondContact O-N 2.98Å; K137-A141 VanDerWaalsContact O-CB 3.29Å; K137-A141 WeakPolarHBondContact O-CB 3.34Å; K137-A141 PolarHBondContact O-N 3.01Å
138K83.8Confident78.5Confident155 Ų155117.5 Ų117.567%0.67457%0.574SS**Hα-helixtrans-65.9-42.9177.2-171.7176.5179.1179.90111.9E134 K135 A141 E142E134-K138 VanDerWaalsContact O-CB 3.28Å; E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 PolarHBondContact O-N 3.05Å; K135-K138 PolarHBondContact O-N 3.24Å; K138-A141 PolarHBondContact O-N 3.4Å; K138-E142 PolarHBondContact O-N 3.3Å
139E81.9Confident79.5Confident129 Ų129121.5 Ų121.560%0.60358%0.582SS**Hα-helixtrans-64.5-44.3176.8-173.8176.7-169.800111.8K135 I136 A141 E142 E143K135-E139 WeakPolarHBondContact O-CB 3.5Å; K135-E139 PolarHBondContact O-N 2.88Å; I136-E139 PolarHBondContact O-N 3.47Å; E139-A141 PolarHBondContact O-N 3.22Å; E139-E142 PolarHBondContact O-N 2.94Å; E139-E143 PolarHBondContact O-N 2.86Å
140R80.1Confident80.7Confident184 Ų184122.6 Ų122.669%0.69458%0.584SS**Hα-helixtrans-63.4-39.9174.4-94.3-169.2179.9158.92.7113.1I136 E142 E143 Q144I136-R140 WeakPolarHBondContact O-CB 3.46Å; I136-R140 PolarHBondContact O-N 3.49Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E143 PolarHBondContact O-N 3.43Å; R140-Q144 WeakPolarHBondContact O-CB 3.29Å; R140-Q144 PolarHBondContact O-N 3.36Å
141A82.6Confident81.4Confident59 Ų59122.2 Ų122.249%0.48858%0.579SS.*Hα-helixtrans-65.1-38.5177.800000111.4K137 K138 E139 A145K137-A141 VanDerWaalsContact O-CB 3.29Å; K137-A141 WeakPolarHBondContact O-CB 3.34Å; K137-A141 PolarHBondContact O-N 3.01Å; K138-A141 PolarHBondContact O-N 3.4Å; E139-A141 PolarHBondContact O-N 3.22Å; A141-A145 VanDerWaalsContact O-CB 3.28Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.17Å
142E83.1Confident82Confident141 Ų141125.7 Ų125.766%0.65958%0.583SS**Hα-helixtrans-69.1-41.7176-171.5172.1-174.200112.2K138 E139 R140 A145 R146K138-E142 PolarHBondContact O-N 3.3Å; E139-E142 PolarHBondContact O-N 2.94Å; R140-E142 VanDerWaalsContact C-N 3.32Å; E142-A145 PolarHBondContact O-N 2.86Å; E142-R146 WeakPolarHBondContact O-CB 3.07Å; E142-R146 PolarHBondContact O-N 2.93Å
143E79.9Confident82.8Confident125 Ų125122.9 Ų122.958%0.58458%0.58SS**Hα-helixtrans-64.7-42.2176-170.5179.4-162.100111.9E139 R140 R146 K147E139-E143 PolarHBondContact O-N 2.86Å; R140-E143 PolarHBondContact O-N 3.43Å; E143-R146 PolarHBondContact O-N 3.01Å; E143-K147 WeakPolarHBondContact O-CB 3.5Å; E143-K147 PolarHBondContact O-N 3.46Å
144Q84.8Confident83.3Confident137 Ų137122.7 Ų122.764%0.6458%0.577SS**Hα-helixtrans-65.2-42.7176.4-172.5170.5-6.800111.5R140 R146 K147 E148R140-Q144 WeakPolarHBondContact O-CB 3.29Å; R140-Q144 PolarHBondContact O-N 3.36Å; Q144-R146 VanDerWaalsContact C-N 3.35Å; Q144-R146 PolarHBondContact O-N 2.95Å; Q144-K147 PolarHBondContact O-N 3.46Å; Q144-E148 WeakPolarHBondContact O-CB 3.38Å; Q144-E148 PolarHBondContact O-N 2.95Å
145A86.3Confident83.7Confident47 Ų47122.1 Ų122.139%0.38857%0.574SS.*Hα-helixtrans-62.7-39.4175.500000112.2A141 E142 Q149A141-A145 VanDerWaalsContact O-CB 3.28Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.17Å; E142-A145 PolarHBondContact O-N 2.86Å; A145-Q149 WeakPolarHBondContact O-CG 3.42Å; A145-Q149 PolarHBondContact O-N 3.4Å; A145-Q149 VanDerWaalsContact O-N 3.08Å
146R85Confident84Confident168 Ų168120.4 Ų120.463%0.63457%0.568SS**Hα-helixtrans-64.7-42.9175.8-162-171.883-165.90.9111.6E142 E143 Q144 Q149 E150E142-R146 WeakPolarHBondContact O-CB 3.07Å; E142-R146 PolarHBondContact O-N 2.93Å; E143-R146 PolarHBondContact O-N 3.01Å; Q144-R146 VanDerWaalsContact C-N 3.35Å; Q144-R146 PolarHBondContact O-N 2.95Å; R146-Q149 PolarHBondContact O-N 3.32Å; R146-E150 PolarHBondContact O-N 3.48Å
147K84.8Confident84.5Confident128 Ų128122.7 Ų122.756%0.55757%0.572SS**Hα-helixtrans-67.1-39.1179.3-170.1175.7-178.7178.60112.2E143 Q144 E150 Q151E143-K147 WeakPolarHBondContact O-CB 3.5Å; E143-K147 PolarHBondContact O-N 3.46Å; Q144-K147 PolarHBondContact O-N 3.46Å; K147-E150 PolarHBondContact O-N 3.38Å; K147-Q151 WeakPolarHBondContact O-CB 3.41Å; K147-Q151 WeakPolarHBondContact O-CG 3.12Å; K147-Q151 PolarHBondContact O-N 2.94Å
148E87.3Confident84.6Confident132 Ų132119 Ų11962%0.61756%0.559SS**Hα-helixtrans-67.5-37.8176.7-167.4177.8169.500111.7Q144 Q151 K152Q144-E148 WeakPolarHBondContact O-CB 3.38Å; Q144-E148 PolarHBondContact O-N 2.95Å; E148-Q151 PolarHBondContact O-N 3Å; E148-K152 VanDerWaalsContact O-CB 3.3Å; E148-K152 WeakPolarHBondContact O-CB 3.47Å; E148-K152 PolarHBondContact O-N 3.35Å
149Q85.3Confident84.6Confident145 Ų145119.8 Ų119.868%0.67856%0.558SS**Hα-helixtrans-63.9-41.8172.8-74.7179.84.900112.6A145 R146 K152 A153A145-Q149 WeakPolarHBondContact O-CG 3.42Å; A145-Q149 PolarHBondContact O-N 3.4Å; A145-Q149 VanDerWaalsContact O-N 3.08Å; R146-Q149 PolarHBondContact O-N 3.32Å; Q149-K152 PolarHBondContact O-N 3.01Å; Q149-A153 WeakPolarHBondContact O-CB 3.32Å; Q149-A153 PolarHBondContact O-N 2.97Å
150E86.5Confident84.4Confident130 Ų130120 Ų12061%0.60756%0.56SS**Hα-helixtrans-66.4-43177.4-171177.3-177.900111.8R146 K147 A153 E154R146-E150 PolarHBondContact O-N 3.48Å; K147-E150 PolarHBondContact O-N 3.38Å; E150-A153 PolarHBondContact O-N 3.25Å; E150-E154 PolarHBondContact O-N 2.82Å
151Q86.7Confident84.5Confident102 Ų102116.1 Ų116.148%0.47755%0.55SS.*Hα-helixtrans-62.6-44.9175.5-74.1-179.84.500111.8K147 E148 A153 E154 E155K147-Q151 WeakPolarHBondContact O-CB 3.41Å; K147-Q151 WeakPolarHBondContact O-CG 3.12Å; K147-Q151 PolarHBondContact O-N 2.94Å; E148-Q151 PolarHBondContact O-N 3Å; Q151-A153 VanDerWaalsContact C-N 3.3Å; Q151-A153 PolarHBondContact O-N 3.41Å; Q151-E154 PolarHBondContact O-N 3.45Å; Q151-E155 WeakPolarHBondContact O-CB 3.47Å; Q151-E155 WeakPolarHBondContact O-CG 3.48Å; Q151-E155 PolarHBondContact O-N 3.37Å
152K87.7Confident84.2Confident132 Ų132118 Ų11857%0.57455%0.552SS**Hα-helixtrans-63-37.3177.3-170.4174.8-179.6177.50112.2E148 Q149 E156E148-K152 VanDerWaalsContact O-CB 3.3Å; E148-K152 WeakPolarHBondContact O-CB 3.47Å; E148-K152 PolarHBondContact O-N 3.35Å; Q149-K152 PolarHBondContact O-N 3.01Å; K152-E156 WeakPolarHBondContact O-CB 3.07Å; K152-E156 WeakPolarHBondContact O-CG 3.23Å; K152-E156 PolarHBondContact O-N 3.3Å
153A88.6Confident83.9Confident58 Ų58116.5 Ų116.548%0.47955%0.547SS..Hα-helixtrans-68.1-41.2175.600000112.5Q149 E150 Q151 E156 R157Q149-A153 WeakPolarHBondContact O-CB 3.32Å; Q149-A153 PolarHBondContact O-N 2.97Å; E150-A153 PolarHBondContact O-N 3.25Å; Q151-A153 VanDerWaalsContact C-N 3.3Å; Q151-A153 PolarHBondContact O-N 3.41Å; A153-E156 PolarHBondContact O-N 2.78Å; A153-R157 WeakPolarHBondContact O-CB 3.44Å; A153-R157 PolarHBondContact O-N 2.77Å
154E84.7Confident83.4Confident84 Ų84117.4 Ų117.439%0.39356%0.555SS.*Hα-helixtrans-68.9-39.3176.9-168.862.2-149.600111.4E150 Q151 R157 I158E150-E154 PolarHBondContact O-N 2.82Å; Q151-E154 PolarHBondContact O-N 3.45Å; E154-R157 WeakPolarHBondContact O-CB 3.39Å; E154-R157 PolarHBondContact O-N 3Å; E154-R157 IonicContact OE1-CZ 2.73Å; E154-R157 VanDerWaalsContact OE1-CZ 3.24Å; E154-R157 IonicContact OE1-NE 3.28Å; E154-R157 PolarHBondContact OE1-NE 3.09Å; E154-R157 IonicContact OE1-NH2 3.22Å; E154-R157 PolarHBondContact OE1-NH2 2.94Å; E154-R157 IonicContact OE2-NE 2.68Å; E154-R157 PolarHBondContact OE2-NE 3.33Å; E154-I158 HydrophobicContact CG-CD1 4.08Å; E154-I158 VanDerWaalsContact O-CG1 3.29Å; E154-I158 WeakPolarHBondContact O-CG1 3.29Å; E154-I158 PolarHBondContact O-N 3.29Å
155E85.8Confident82.6Confident131 Ų131113.7 Ų113.761%0.61255%0.545SS*.Hα-helixtrans-63.2-41.5173.3-75.7-178.6-176.100111.9Q151 I158 R159Q151-E155 WeakPolarHBondContact O-CB 3.47Å; Q151-E155 WeakPolarHBondContact O-CG 3.48Å; Q151-E155 PolarHBondContact O-N 3.37Å; E155-I158 PolarHBondContact O-N 3.11Å; E155-R159 WeakPolarHBondContact O-CB 3.21Å; E155-R159 PolarHBondContact O-N 3.1Å
156E84.1Confident81.7Confident113 Ų113114 Ų11453%0.52855%0.552SS.*Hα-helixtrans-65.2-37.4172.9-79-176.4-176.900112K152 A153 R159 M160K152-E156 WeakPolarHBondContact O-CB 3.07Å; K152-E156 WeakPolarHBondContact O-CG 3.23Å; K152-E156 PolarHBondContact O-N 3.3Å; A153-E156 PolarHBondContact O-N 2.78Å; E156-R159 PolarHBondContact O-N 2.95Å; E156-M160 WeakPolarHBondContact O-CB 3.36Å; E156-M160 WeakPolarHBondContact O-CG 3.44Å; E156-M160 PolarHBondContact O-N 3.09Å
157R85.8Confident80.8Confident124 Ų124109 Ų10947%0.46854%0.538SS..Hα-helixtrans-62.1-50.4174.4-167.3-172.979.184.14.3111.4A153 E154 R159 M160 E161A153-R157 WeakPolarHBondContact O-CB 3.44Å; A153-R157 PolarHBondContact O-N 2.77Å; E154-R157 WeakPolarHBondContact O-CB 3.39Å; E154-R157 PolarHBondContact O-N 3Å; E154-R157 IonicContact OE1-CZ 2.73Å; E154-R157 VanDerWaalsContact OE1-CZ 3.24Å; E154-R157 IonicContact OE1-NE 3.28Å; E154-R157 PolarHBondContact OE1-NE 3.09Å; E154-R157 IonicContact OE1-NH2 3.22Å; E154-R157 PolarHBondContact OE1-NH2 2.94Å; E154-R157 IonicContact OE2-NE 2.68Å; E154-R157 PolarHBondContact OE2-NE 3.33Å; R157-R159 VanDerWaalsContact C-N 3.31Å; R157-R159 PolarHBondContact O-N 3.46Å; R157-M160 PolarHBondContact O-N 3.23Å; R157-E161 IonicContact NH1-OE2 2.88Å; R157-E161 PolarHBondContact NH1-OE2 2.73Å; R157-E161 WeakPolarHBondContact O-CB 3.35Å; R157-E161 PolarHBondContact O-N 2.88Å
158I82.8Confident79.9Confident76 Ų76106.9 Ų106.939%0.3954%0.537SS..Hα-helixtrans-63.9-39177.8-66.2166.4000110.3E154 E155 E161 N162E154-I158 HydrophobicContact CG-CD1 4.08Å; E154-I158 VanDerWaalsContact O-CG1 3.29Å; E154-I158 WeakPolarHBondContact O-CG1 3.29Å; E154-I158 PolarHBondContact O-N 3.29Å; E155-I158 PolarHBondContact O-N 3.11Å; I158-E161 PolarHBondContact O-N 2.68Å; I158-N162 WeakPolarHBondContact O-CB 3.34Å; I158-N162 PolarHBondContact O-N 3.4Å
159R82.4Confident78.7Confident171 Ų171107 Ų10765%0.64554%0.542SS*.Hα-helixtrans-65.4-42.9177.5-173.8173.2-179-94.9-0.9111.7E155 E156 R157 N162 I163E155-R159 WeakPolarHBondContact O-CB 3.21Å; E155-R159 PolarHBondContact O-N 3.1Å; E156-R159 PolarHBondContact O-N 2.95Å; R157-R159 VanDerWaalsContact C-N 3.31Å; R157-R159 PolarHBondContact O-N 3.46Å; R159-N162 PolarHBondContact O-N 3.07Å; R159-I163 HydrophobicContact CG-CD1 4.05Å; R159-I163 VanDerWaalsContact O-CG1 3.25Å; R159-I163 WeakPolarHBondContact O-CG1 3.33Å; R159-I163 PolarHBondContact O-N 3.43Å
160M79.1Confident77.5Confident133 Ų133105.3 Ų105.366%0.65554%0.536SS*.Hα-helixtrans-66.5-41.5174.3-72.4-163.9-52.700112E156 R157 N162 I163 L164E156-M160 WeakPolarHBondContact O-CB 3.36Å; E156-M160 WeakPolarHBondContact O-CG 3.44Å; E156-M160 PolarHBondContact O-N 3.09Å; R157-M160 PolarHBondContact O-N 3.23Å; M160-N162 VanDerWaalsContact C-N 3.34Å; M160-N162 PolarHBondContact O-N 3Å; M160-I163 PolarHBondContact O-N 3.08Å; M160-L164 WeakPolarHBondContact O-CB 3.5Å; M160-L164 PolarHBondContact O-N 2.94Å
161E80.4Confident76Confident103 Ų103104.6 Ų104.648%0.48154%0.537SS..Hα-helixtrans-62-40.7176.3-173.3172-177.600111.6R157 I158 L164 S165R157-E161 IonicContact NH1-OE2 2.88Å; R157-E161 PolarHBondContact NH1-OE2 2.73Å; R157-E161 WeakPolarHBondContact O-CB 3.35Å; R157-E161 PolarHBondContact O-N 2.88Å; I158-E161 PolarHBondContact O-N 2.68Å; E161-L164 PolarHBondContact O-N 3.29Å; E161-S165 VanDerWaalsContact O-CB 3.28Å; E161-S165 WeakPolarHBondContact O-CB 3.48Å; E161-S165 PolarHBondContact O-N 3.3Å; E161-S165 PolarHBondContact O-OG 3.34Å
162N78.3Confident74.6Confident99 Ų99105.4 Ų105.453%0.52954%0.544SS..Hα-helixtrans-70.5-35.1175.5-80.4-13.1000113.3I158 R159 M160 G166I158-N162 WeakPolarHBondContact O-CB 3.34Å; I158-N162 PolarHBondContact O-N 3.4Å; R159-N162 PolarHBondContact O-N 3.07Å; M160-N162 VanDerWaalsContact C-N 3.34Å; M160-N162 PolarHBondContact O-N 3Å; N162-G166 WeakPolarHBondContact O-CA 3.28Å; N162-G166 PolarHBondContact O-N 3.49Å
163I75.6Confident72.9Confident109 Ų109105.1 Ų105.156%0.55955%0.553SS**Hα-helixtrans-69.8-36.8174.6-69165.4000110.5R159 M160R159-I163 HydrophobicContact CG-CD1 4.05Å; R159-I163 VanDerWaalsContact O-CG1 3.25Å; R159-I163 WeakPolarHBondContact O-CG1 3.33Å; R159-I163 PolarHBondContact O-N 3.43Å; M160-I163 PolarHBondContact O-N 3.08Å
164L69.1Low71.3Confident143 Ų143104.3 Ų104.375%0.74955%0.55SS**Hα-helixtrans-73.2-40.9179.1-163.174000112.3M160 E161M160-L164 WeakPolarHBondContact O-CB 3.5Å; M160-L164 PolarHBondContact O-N 2.94Å; E161-L164 PolarHBondContact O-N 3.29Å
165S68.1Low69.8Low60 Ų60106.7 Ų106.742%0.4257%0.573SS.*Hα-helixtrans-87.6-19.2179.464.30000114.1E161 N167 N171E161-S165 VanDerWaalsContact O-CB 3.28Å; E161-S165 WeakPolarHBondContact O-CB 3.48Å; E161-S165 PolarHBondContact O-N 3.3Å; E161-S165 PolarHBondContact O-OG 3.34Å; S165-N167 PolarHBondContact O-N 3.35Å; S165-N171 PolarHBondContact O-ND2 2.7Å; S165-N171 VanDerWaalsContact O-ND2 3.09Å
166G67.5Low68.1Low52 Ų52105.2 Ų105.254%0.53658%0.577SS.*  trans-81.38.7-179.900000114.4N162 P168N162-G166 WeakPolarHBondContact O-CA 3.28Å; N162-G166 PolarHBondContact O-N 3.49Å; G166-P168 WeakPolarHBondContact O-CD 3.45Å
167N67.1Low66.5Low64 Ų64106.2 Ų106.234%0.34258%0.582SS.*  trans-82.2102.4171-170.1-15.3000109.8S165 L169 L170S165-N167 PolarHBondContact O-N 3.35Å; N167-L169 PolarHBondContact O-N 3.4Å; N167-L169 WeakPolarHBondContact OD1-CB 3.42Å; N167-L169 PolarHBondContact OD1-N 3.23Å; N167-L170 HydrophobicContact CB-CB 4.24Å; N167-L170 HydrophobicContact CB-CD1 3.95Å; N167-L170 HydrophobicContact CB-CG 4.23Å; N167-L170 WeakPolarHBondContact ND2-CD1 3.4Å; N167-L170 PolarHBondContact O-N 3.36Å; N167-L170 VanDerWaalsContact O-N 3.13Å
168P66Low64.8Low83 Ų83106 Ų10654%0.53960%0.597SS.*THydrogen-bonded Turntrans-60.6-29.3-179.826.3-34.5000111.4G166 L170 N171 L172G166-P168 WeakPolarHBondContact O-CD 3.45Å; P168-L170 VanDerWaalsContact C-N 3.33Å; P168-L170 PolarHBondContact O-N 3.35Å; P168-N171 PolarHBondContact O-N 3.35Å; P168-L172 WeakPolarHBondContact O-CD1 3.29Å
169L61.5Low63.3Low136 Ų136108.5 Ų108.571%0.71261%0.607SS**THydrogen-bonded Turntrans-71.2-23.4179.9-85.380.4000113.9N167N167-L169 PolarHBondContact O-N 3.4Å; N167-L169 WeakPolarHBondContact OD1-CB 3.42Å; N167-L169 PolarHBondContact OD1-N 3.23Å
170L59.4Low61.6Low108 Ų108105.5 Ų105.557%0.56562%0.618SS**THydrogen-bonded Turntrans-86-19.5177-72.3171.6000112.7N167 P168 T173N167-L170 HydrophobicContact CB-CB 4.24Å; N167-L170 HydrophobicContact CB-CD1 3.95Å; N167-L170 HydrophobicContact CB-CG 4.23Å; N167-L170 WeakPolarHBondContact ND2-CD1 3.4Å; N167-L170 PolarHBondContact O-N 3.36Å; N167-L170 VanDerWaalsContact O-N 3.13Å; P168-L170 VanDerWaalsContact C-N 3.33Å; P168-L170 PolarHBondContact O-N 3.35Å; L170-T173 PolarHBondContact O-OG1 3.13Å
171N56.3Low60.2Low115 Ų115105 Ų10562%0.61562%0.619SS**G310 helixtrans-86.8-4.9175.6-66.5-22.3000113.3S165 P168S165-N171 PolarHBondContact O-ND2 2.7Å; S165-N171 VanDerWaalsContact O-ND2 3.09Å; P168-N171 PolarHBondContact O-N 3.35Å
172L56Low58.9Low120 Ų120109.9 Ų109.963%0.62864%0.639SS**G310 helixtrans-83.5-12.3176.1-94.287.1000114.2P168P168-L172 WeakPolarHBondContact O-CD1 3.29Å
173T53.6Low58.2Low126 Ų126113.8 Ų113.877%0.77365%0.651SS**G310 helixtrans-95.15.6-17955.40000113.9L170L170-T173 PolarHBondContact O-OG1 3.13Å
174G54Low57.7Low40 Ų40113.7 Ų113.741%0.41266%0.655SS.*SBendtrans-80.6154.3159.900000110.6S176G174-S176 VanDerWaalsContact C-N 3.32Å; G174-S176 PolarHBondContact O-N 3.44Å
175P53.1Low57.6Low135 Ų135116.9 Ų116.988%0.87766%0.663SS**SBendtrans-64.769.7-148.129.6-38.4000116.1Q177P175-Q177 VanDerWaalsContact C-N 3.31Å
176S51.1Low58Low100 Ų100120 Ų12070%0.69967%0.665SS**  trans-92.116.1167.979.80000113.2G174G174-S176 VanDerWaalsContact C-N 3.32Å; G174-S176 PolarHBondContact O-N 3.44Å
177Q50.7Low58.4Low133 Ų133126 Ų12662%0.62167%0.672SS**SBendtrans-74.8134.8162.1-80.3-79.2-28.200109.4P175 Q179P175-Q177 VanDerWaalsContact C-N 3.31Å; Q177-Q179 HydrophobicContact CB-CG 3.98Å; Q177-Q179 PolarHBondContact O-N 2.78Å
178P50Low59.3Low121 Ų121133 Ų13379%0.78669%0.694SS**  trans-73.362.4167.433.7-33000109A180P178-A180 PolarHBondContact O-N 2.91Å
179Q51.4Low60.2Low127 Ų127131.6 Ų131.659%0.59368%0.681SS**  trans-65.6127.3163.6-66.8-64.9-42.700106.3Q177 N181Q177-Q179 HydrophobicContact CB-CG 3.98Å; Q177-Q179 PolarHBondContact O-N 2.78Å; Q179-N181 PolarHBondContact O-N 3.43Å; Q179-N181 PolarHBondContact O-ND2 2.77Å
180A45.8Very low61.1Low108 Ų108129.7 Ų129.789%0.89367%0.672SS**  trans-5678.8176.800000111P178P178-A180 PolarHBondContact O-N 2.91Å
181N48.8Very low62.4Low124 Ų124130 Ų13066%0.66367%0.674SS**  trans-87.7117.3-177.9-77.6-42.2000108.2Q179 K183Q179-N181 PolarHBondContact O-N 3.43Å; Q179-N181 PolarHBondContact O-ND2 2.77Å; N181-K183 HydrophobicContact CB-CB 4.41Å; N181-K183 PolarHBondContact O-N 3.42Å
182F53.6Low63.9Low205 Ų205127.7 Ų127.790%0.89966%0.664SS**  trans-6354.1164.6-164.8-97.5000110.4V184F182-V184 PolarHBondContact O-N 3.49Å
183K63.4Low65.3Low181 Ų181128.2 Ų128.279%0.78767%0.672SS**  trans-84.3102.4-180-165.1167.4-174.1-179.50106.1N181 K185N181-K183 HydrophobicContact CB-CB 4.41Å; N181-K183 PolarHBondContact O-N 3.42Å; K183-K185 PolarHBondContact O-N 2.87Å
184V65.5Low66.9Low107 Ų107129.4 Ų129.465%0.64867%0.667SS**  trans-45.9102.3170.2174.10000108F182 R186F182-V184 PolarHBondContact O-N 3.49Å; V184-R186 WeakPolarHBondContact CG1-O 3.37Å; V184-R186 PolarHBondContact O-N 2.86Å
185K67.5Low68.5Low210 Ų210132.3 Ų132.391%0.91367%0.668SS**SBendtrans-74.4-13.3-168.6-151.2160.2-175.5159.40112.3K183K183-K185 PolarHBondContact O-N 2.87Å
186R76.4Confident70Confident124 Ų124131.8 Ų131.847%0.46866%0.658SS.*SBendtrans-132.3115.3178.6-126.3177.970.290.3-13.8109.3V184 D190 D191V184-R186 WeakPolarHBondContact CG1-O 3.37Å; V184-R186 PolarHBondContact O-N 2.86Å; R186-D190 HydrophobicContact CG-CB 4.07Å; R186-D190 WeakPolarHBondContact CG-OD2 3.47Å; R186-D190 IonicContact NH1-OD2 3.79Å; R186-D190 PolarHBondContact NH1-OD2 2.94Å; R186-D191 IonicContact CZ-OD2 3.13Å; R186-D191 IonicContact NH1-OD2 3.64Å; R186-D191 IonicContact NH2-OD2 2.7Å; R186-D191 PolarHBondContact NH2-OD2 2.87Å
187R75.8Confident71.6Confident179 Ų179131.6 Ų131.668%0.67566%0.655SS**  trans-64.8146.8171.7-63.4177.466.8117.60.1108D189 D190R187-D189 PolarHBondContact O-N 2.97Å; R187-D189 VanDerWaalsContact O-N 3.14Å; R187-D190 WeakPolarHBondContact O-CB 3.3Å; R187-D190 PolarHBondContact O-N 2.96Å
188W84.8Confident73.1Confident212 Ų212128.7 Ų128.780%0.80366%0.655SS**THydrogen-bonded Turntrans-55.2-31.1174.168.7-83.7000111.9D190W188-D190 VanDerWaalsContact C-N 3.3Å; W188-D190 PolarHBondContact O-N 3.28Å
189D85.1Confident74.7Confident52 Ų52131.4 Ų131.428%0.27865%0.654SS.*THydrogen-bonded Turntrans-72.4-9.6175.2-69.7-47.7000114.7R187 D191 K195R187-D189 PolarHBondContact O-N 2.97Å; R187-D189 VanDerWaalsContact O-N 3.14Å; D189-D191 PolarHBondContact O-N 3.4Å; D189-K195 WeakPolarHBondContact O-CE 3.42Å; D189-K195 PolarHBondContact O-NZ 3.32Å
190D81.5Confident76Confident96 Ų96127.1 Ų127.151%0.51364%0.644SS.*THydrogen-bonded Turntrans-69.2-37.3-166.5-16941.7000112.5R186 R187 W188 V192 K195R186-D190 HydrophobicContact CG-CB 4.07Å; R186-D190 WeakPolarHBondContact CG-OD2 3.47Å; R186-D190 IonicContact NH1-OD2 3.79Å; R186-D190 PolarHBondContact NH1-OD2 2.94Å; R187-D190 WeakPolarHBondContact O-CB 3.3Å; R187-D190 PolarHBondContact O-N 2.96Å; W188-D190 VanDerWaalsContact C-N 3.3Å; W188-D190 PolarHBondContact O-N 3.28Å; D190-V192 PolarHBondContact O-N 3.5Å; D190-K195 PolarHBondContact O-NZ 3.16Å
191D85.6Confident77.5Confident115 Ų115125.2 Ų125.262%0.61562%0.621SS**THydrogen-bonded Turntrans-78.9-7.7-175.8-137.6-19.4000116R186 D189 V193R186-D191 IonicContact CZ-OD2 3.13Å; R186-D191 IonicContact NH1-OD2 3.64Å; R186-D191 IonicContact NH2-OD2 2.7Å; R186-D191 PolarHBondContact NH2-OD2 2.87Å; D189-D191 PolarHBondContact O-N 3.4Å; D191-V193 PolarHBondContact O-N 2.97Å; D191-V193 VanDerWaalsContact O-N 3.13Å
192V87.3Confident78.8Confident67 Ų67124.1 Ų124.141%0.40662%0.615SS.*  trans-72.5112.3-174.1-170.10000110.5D190 F194 K195D190-V192 PolarHBondContact O-N 3.5Å; V192-F194 WeakPolarHBondContact CG1-O 3.36Å; V192-F194 PolarHBondContact O-N 2.93Å; V192-F194 VanDerWaalsContact O-N 3.09Å; V192-K195 HydrophobicContact CB-CD 4.22Å; V192-K195 WeakPolarHBondContact O-CD 3.39Å; V192-K195 VanDerWaalsContact O-CE 3.27Å; V192-K195 WeakPolarHBondContact O-CE 3.48Å; V192-K195 PolarHBondContact O-NZ 3.14Å
193V86.6Confident79.7Confident131 Ų131118.8 Ų118.879%0.79460%0.596SS**SBendtrans-59.9-22.9179.5-66.40000113.8D191D191-V193 PolarHBondContact O-N 2.97Å; D191-V193 VanDerWaalsContact O-N 3.13Å
194F86.9Confident80Confident150 Ų150117.9 Ų117.966%0.65859%0.594SS**SBendtrans-113.7108.5178.6-68-60000110.9V192V192-F194 WeakPolarHBondContact CG1-O 3.36Å; V192-F194 PolarHBondContact O-N 2.93Å; V192-F194 VanDerWaalsContact O-N 3.09Å
195K86.6Confident80.1Confident101 Ų101120.5 Ų120.544%0.43960%0.597SS.*  trans-101.2136.6174.4-54-55.2-163.2-1400110.1D189 D190 V192 C197D189-K195 WeakPolarHBondContact O-CE 3.42Å; D189-K195 PolarHBondContact O-NZ 3.32Å; D190-K195 PolarHBondContact O-NZ 3.16Å; V192-K195 HydrophobicContact CB-CD 4.22Å; V192-K195 WeakPolarHBondContact O-CD 3.39Å; V192-K195 VanDerWaalsContact O-CE 3.27Å; V192-K195 WeakPolarHBondContact O-CE 3.48Å; V192-K195 PolarHBondContact O-NZ 3.14Å; K195-C197 VanDerWaalsContact C-N 3.26Å; K195-C197 PolarHBondContact O-N 3.25Å; K195-C197 VanDerWaalsContact O-N 3.1Å
196N84.7Confident80.1Confident125 Ų125116.8 Ų116.867%0.66858%0.581SS**SBendtrans56.228.6166.8-61.167.2000116A198 K199N196-A198 PolarHBondContact O-N 3.39Å; N196-K199 HydrophobicContact CB-CB 4.18Å; N196-K199 VanDerWaalsContact O-CB 3.32Å; N196-K199 WeakPolarHBondContact O-CB 3.43Å; N196-K199 PolarHBondContact O-N 2.88Å
197C84.8Confident79.9Confident95 Ų95112.9 Ų112.964%0.64257%0.569SS**THydrogen-bonded Turntrans-59.5-23.5-177.8-63.80000114.9K195K195-C197 VanDerWaalsContact C-N 3.26Å; K195-C197 PolarHBondContact O-N 3.25Å; K195-C197 VanDerWaalsContact O-N 3.1Å
198A82.3Confident80Confident73 Ų73114.4 Ų114.460%0.60358%0.581SS**THydrogen-bonded Turntrans-89.9-3.217700000113.8N196 G200 V201N196-A198 PolarHBondContact O-N 3.39Å; A198-G200 PolarHBondContact O-N 2.9Å; A198-G200 VanDerWaalsContact O-N 3.14Å; A198-V201 WeakPolarHBondContact O-CG2 3.44Å; A198-V201 PolarHBondContact O-N 3.35Å; A198-V201 VanDerWaalsContact O-N 3.16Å
199K83.3Confident80.1Confident178 Ų178112.6 Ų112.677%0.77457%0.574SS**THydrogen-bonded Turntrans-69.4115.8-177.1-170.4164.8179.9-168.60109.6N196N196-K199 HydrophobicContact CB-CB 4.18Å; N196-K199 VanDerWaalsContact O-CB 3.32Å; N196-K199 WeakPolarHBondContact O-CB 3.43Å; N196-K199 PolarHBondContact O-N 2.88Å
200G79Confident80.3Confident37 Ų37118.8 Ų118.838%0.38160%0.599SS.*THydrogen-bonded Turntrans97.9-4.3-177.500000115.3A198 D202 D203A198-G200 PolarHBondContact O-N 2.9Å; A198-G200 VanDerWaalsContact O-N 3.14Å; G200-D202 VanDerWaalsContact C-N 3.25Å; G200-D202 PolarHBondContact O-N 3.23Å; G200-D203 PolarHBondContact O-N 2.83Å
201V77.5Confident80.8Confident67 Ų67116.7 Ų116.741%0.40659%0.589SS.*Hα-helixtrans-64.6-32.1176.9174.90000111.7A198 D203 Q204 K205A198-V201 WeakPolarHBondContact O-CG2 3.44Å; A198-V201 PolarHBondContact O-N 3.35Å; A198-V201 VanDerWaalsContact O-N 3.16Å; V201-D203 VanDerWaalsContact C-N 3.25Å; V201-D203 PolarHBondContact O-N 3.48Å; V201-Q204 PolarHBondContact O-N 3.1Å; V201-K205 PolarHBondContact O-N 3.46Å
202D76.1Confident81.2Confident102 Ų102118.4 Ų118.455%0.54560%0.599SS.*Hα-helixtrans-65.1-29.3178-68.4-32.9000112.7G200 K205 K206G200-D202 VanDerWaalsContact C-N 3.25Å; G200-D202 PolarHBondContact O-N 3.23Å; D202-K205 PolarHBondContact O-N 3.39Å; D202-K206 VanDerWaalsContact O-CG 3.23Å; D202-K206 WeakPolarHBondContact O-CG 3.32Å; D202-K206 PolarHBondContact O-N 2.71Å
203D73.7Confident81.6Confident93 Ų93117.5 Ų117.550%0.49759%0.591SS.*Hα-helixtrans-75.8-29.8-179.9-60.9-33.8000111.7G200 V201 K206 D207G200-D203 PolarHBondContact O-N 2.83Å; V201-D203 VanDerWaalsContact C-N 3.25Å; V201-D203 PolarHBondContact O-N 3.48Å; D203-K206 PolarHBondContact O-N 2.87Å; D203-K206 IonicContact OD1-NZ 3.56Å; D203-K206 PolarHBondContact OD1-NZ 2.94Å; D203-D207 PolarHBondContact O-N 3.07Å
204Q68.1Low81.9Confident161 Ų161116.8 Ų116.875%0.75259%0.587SS**Hα-helixtrans-67.5-36.8171.5-65.2-132.1-22.300112.5V201 K206 D207V201-Q204 PolarHBondContact O-N 3.1Å; Q204-K206 VanDerWaalsContact C-N 3.25Å; Q204-K206 PolarHBondContact O-N 3.44Å; Q204-D207 PolarHBondContact O-N 3.3Å
205K69Low82.2Confident163 Ų163114.9 Ų114.971%0.70958%0.584SS**Hα-helixtrans-70.4-22.6176-68.2179-179.81760113V201 D202V201-K205 PolarHBondContact O-N 3.46Å; D202-K205 PolarHBondContact O-N 3.39Å
206K67.3Low82.4Confident132 Ų132117.3 Ų117.357%0.57459%0.59SS**Hα-helixtrans-87.5-11.8179.3-70.2170.1-157.1160.70113.7D202 D203 Q204 K208D202-K206 VanDerWaalsContact O-CG 3.23Å; D202-K206 WeakPolarHBondContact O-CG 3.32Å; D202-K206 PolarHBondContact O-N 2.71Å; D203-K206 PolarHBondContact O-N 2.87Å; D203-K206 IonicContact OD1-NZ 3.56Å; D203-K206 PolarHBondContact OD1-NZ 2.94Å; Q204-K206 VanDerWaalsContact C-N 3.25Å; Q204-K206 PolarHBondContact O-N 3.44Å; K206-K208 WeakPolarHBondContact O-CG 3.32Å; K206-K208 PolarHBondContact O-N 3.39Å
207D71.4Confident82.7Confident41 Ų41113 Ų11322%0.21957%0.57CS.*  trans-64.496177.9-94.7-3.8000109.5R81 D203 Q204 R209R81-D207 IonicContact CZ-OD1 2.9Å; R81-D207 IonicContact NH1-OD1 3.4Å; R81-D207 PolarHBondContact NH1-OD1 2.77Å; R81-D207 IonicContact NH2-OD1 3.76Å; R81-D207 PolarHBondContact NH2-OD1 3.47Å; R81-D207 IonicContact NH2-OD2 2.86Å; D203-D207 PolarHBondContact O-N 3.07Å; Q204-D207 PolarHBondContact O-N 3.3Å; D207-R209 HydrophobicContact CB-CG 4.25Å; D207-R209 PolarHBondContact O-N 2.98Å; D207-R209 IonicContact OD2-CZ 2.77Å; D207-R209 VanDerWaalsContact OD2-CZ 3.28Å; D207-R209 IonicContact OD2-NE 3.42Å; D207-R209 PolarHBondContact OD2-NE 2.86Å; D207-R209 VanDerWaalsContact OD2-NE 3.13Å; D207-R209 IonicContact OD2-NH2 3.49Å; D207-R209 PolarHBondContact OD2-NH2 3.5Å
208K79.1Confident83Confident211 Ų211113.2 Ų113.292%0.91756%0.561SS**  trans-71.658.4177.6-61.6177.4-173.8176.70110.9K206K206-K208 WeakPolarHBondContact O-CG 3.32Å; K206-K208 PolarHBondContact O-N 3.39Å
209R86.5Confident83.4Confident175 Ų175116.8 Ų116.866%0.6656%0.563SS**  trans-83120.8176.8-63.4178.3-165.8-165.64.5108.5D207D207-R209 HydrophobicContact CB-CG 4.25Å; D207-R209 PolarHBondContact O-N 2.98Å; D207-R209 IonicContact OD2-CZ 2.77Å; D207-R209 VanDerWaalsContact OD2-CZ 3.28Å; D207-R209 IonicContact OD2-NE 3.42Å; D207-R209 PolarHBondContact OD2-NE 2.86Å; D207-R209 VanDerWaalsContact OD2-NE 3.13Å; D207-R209 IonicContact OD2-NH2 3.49Å; D207-R209 PolarHBondContact OD2-NH2 3.5Å
210F89.9Confident84Confident181 Ų181110.6 Ų110.679%0.79454%0.537SS*.  trans-80.2132.4169.2176.1-102.1000109.6N212F210-N212 HydrophobicContact CE1-CB 3.99Å; F210-N212 HydrophobicContact CZ-CB 4.46Å
211V91.5Very high84.6Confident53 Ų53114 Ų11432%0.32154%0.542SS..  trans-119123173.6-175.60000107.3D213 R216V211-D213 HydrophobicContact CG1-CB 3.85Å; V211-D213 PolarHBondContact O-N 3.14Å; V211-R216 HydrophobicContact CG1-CB 4.36Å
212N94Very high85.3Confident151 Ų151117.3 Ų117.381%0.80755%0.55SS**SBendtrans-76.857.9174-171.421000111.1F210F210-N212 HydrophobicContact CE1-CB 3.99Å; F210-N212 HydrophobicContact CZ-CB 4.46Å
213D94.7Very high86.2Confident48 Ų48116.6 Ų116.626%0.25754%0.543SS..  trans-155.3120.5177.7-174.6-33.9000108.3V211 L215 R216 S217V211-D213 HydrophobicContact CG1-CB 3.85Å; V211-D213 PolarHBondContact O-N 3.14Å; D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 2.55Å; D213-L215 PolarHBondContact OD1-N 3.45Å; D213-R216 HydrophobicContact CB-CB 4.13Å; D213-R216 PolarHBondContact OD1-N 3.28Å; D213-R216 IonicContact OD2-CZ 2.71Å; D213-R216 VanDerWaalsContact OD2-CZ 3.22Å; D213-R216 IonicContact OD2-NE 3Å; D213-R216 PolarHBondContact OD2-NE 3.13Å; D213-R216 IonicContact OD2-NH2 3.57Å; D213-R216 PolarHBondContact OD2-NH2 3.42Å; D213-S217 WeakPolarHBondContact O-CB 3.28Å; D213-S217 PolarHBondContact O-N 3.05Å; D213-S217 VanDerWaalsContact O-N 3.09Å
214T93.6Very high87.3Confident115 Ų115115.1 Ų115.171%0.70653%0.533SS*.THydrogen-bonded Turntrans-71.1-25.3-175.355.70000112.9H220T214-H220 WeakPolarHBondContact O-CB 3.25Å
215L93.2Very high88.6Confident111 Ų111113.7 Ų113.758%0.58153%0.527SS*.THydrogen-bonded Turntrans-90.3-28.4-178.9-58.4-178000112.2D213 H220D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 2.55Å; D213-L215 PolarHBondContact OD1-N 3.45Å; L215-H220 VanDerWaalsContact CD2-CE1 3.47Å; L215-H220 WeakPolarHBondContact CD2-CE1 3.16Å; L215-H220 PolarHBondContact O-CD2 2.71Å
216R90.7Very high89.8Confident152 Ų152112.8 Ų112.857%0.57452%0.523SS*.THydrogen-bonded Turntrans-92-8.7177-70-173.1-68.2138.15114.2V211 D213 K221V211-R216 HydrophobicContact CG1-CB 4.36Å; D213-R216 HydrophobicContact CB-CB 4.13Å; D213-R216 PolarHBondContact OD1-N 3.28Å; D213-R216 IonicContact OD2-CZ 2.71Å; D213-R216 VanDerWaalsContact OD2-CZ 3.22Å; D213-R216 IonicContact OD2-NE 3Å; D213-R216 PolarHBondContact OD2-NE 3.13Å; D213-R216 IonicContact OD2-NH2 3.57Å; D213-R216 PolarHBondContact OD2-NH2 3.42Å; R216-K221 WeakPolarHBondContact O-CE 3.35Å
217S91.7Very high91.3Very high35 Ų35113.3 Ų113.325%0.24552%0.522CS..SBendtrans-56.7140.8175.31790000111.4D213 F219 H220 K221D213-S217 WeakPolarHBondContact O-CB 3.28Å; D213-S217 PolarHBondContact O-N 3.05Å; D213-S217 VanDerWaalsContact O-N 3.09Å; S217-F219 PolarHBondContact O-N 2.68Å; S217-F219 VanDerWaalsContact O-N 3.17Å; S217-F219 PolarHBondContact OG-N 3.37Å; S217-H220 PolarHBondContact O-N 3.32Å; S217-K221 PolarHBondContact O-N 3.27Å; S217-K221 VanDerWaalsContact O-N 3.11Å
218E90.3Very high92.3Very high98 Ų98117.7 Ų117.746%0.45854%0.544SS..Hα-helixtrans-55.4-30.9172.4-69.8-58.3123.600112K221 K222E218-K221 IonicContact OE1-NZ 3.24Å; E218-K221 PolarHBondContact OE1-NZ 3.36Å; E218-K222 WeakPolarHBondContact O-CB 3.38Å; E218-K222 WeakPolarHBondContact O-CG 3.38Å; E218-K222 PolarHBondContact O-N 3.29Å; E218-K222 VanDerWaalsContact O-N 3.09Å
219F92Very high92.2Very high149 Ų149118.1 Ų118.165%0.65455%0.546SS*.Hα-helixtrans-60.6-46.4172.8173.6-96.9000111.8S217 K222 F223S217-F219 PolarHBondContact O-N 2.68Å; S217-F219 VanDerWaalsContact O-N 3.17Å; S217-F219 PolarHBondContact OG-N 3.37Å; F219-K222 PolarHBondContact O-N 3.09Å; F219-F223 WeakPolarHBondContact O-CB 3.15Å; F219-F223 PolarHBondContact O-N 2.89Å
220H93.9Very high92.5Very high47 Ų47115.3 Ų115.322%0.21854%0.54CS..Hα-helixtrans-69.4-39.8-178.1-173.485000112T214 L215 S217 K222 F223 M224T214-H220 WeakPolarHBondContact O-CB 3.25Å; L215-H220 VanDerWaalsContact CD2-CE1 3.47Å; L215-H220 WeakPolarHBondContact CD2-CE1 3.16Å; L215-H220 PolarHBondContact O-CD2 2.71Å; S217-H220 PolarHBondContact O-N 3.32Å; H220-K222 PolarHBondContact O-N 2.9Å; H220-F223 WeakPolarHBondContact O-CB 3.18Å; H220-F223 PolarHBondContact O-N 2.67Å; H220-M224 WeakPolarHBondContact CE1-CE 3.05Å; H220-M224 WeakPolarHBondContact NE2-CE 3.1Å; H220-M224 WeakPolarHBondContact O-CG 3.45Å; H220-M224 PolarHBondContact O-N 3.09Å
221K91.9Very high92.7Very high110 Ų110111.8 Ų111.848%0.47853%0.527SS..Hα-helixtrans-57-48.8173-63.8178.6-170.6168.30111.5R216 S217 E218 F223 M224 E225R216-K221 WeakPolarHBondContact O-CE 3.35Å; S217-K221 PolarHBondContact O-N 3.27Å; S217-K221 VanDerWaalsContact O-N 3.11Å; E218-K221 IonicContact OE1-NZ 3.24Å; E218-K221 PolarHBondContact OE1-NZ 3.36Å; K221-F223 VanDerWaalsContact C-N 3.35Å; K221-F223 PolarHBondContact O-N 3.35Å; K221-M224 PolarHBondContact O-N 2.82Å; K221-E225 WeakPolarHBondContact O-CB 3.2Å; K221-E225 PolarHBondContact O-N 2.67Å
222K92.8Very high92.7Very high136 Ų136115.1 Ų115.159%0.59154%0.538SS*.Hα-helixtrans-64-37.2176.4-72.5177.4-177.9179.20112.8E218 F219 H220 K226E218-K222 WeakPolarHBondContact O-CB 3.38Å; E218-K222 WeakPolarHBondContact O-CG 3.38Å; E218-K222 PolarHBondContact O-N 3.29Å; E218-K222 VanDerWaalsContact O-N 3.09Å; F219-K222 PolarHBondContact O-N 3.09Å; H220-K222 PolarHBondContact O-N 2.9Å; K222-K226 WeakPolarHBondContact O-CB 3.27Å; K222-K226 PolarHBondContact O-N 2.91Å
223F95.3Very high92.6Very high87 Ų87113 Ų11338%0.38252%0.523SS..Hα-helixtrans-61.7-47.8175.6175.5-87000111F219 H220 K221 K226 Y227F219-F223 WeakPolarHBondContact O-CB 3.15Å; F219-F223 PolarHBondContact O-N 2.89Å; H220-F223 WeakPolarHBondContact O-CB 3.18Å; H220-F223 PolarHBondContact O-N 2.67Å; K221-F223 VanDerWaalsContact C-N 3.35Å; K221-F223 PolarHBondContact O-N 3.35Å; F223-K226 PolarHBondContact O-N 3.13Å; F223-Y227 HydrophobicContact CD1-CD2 4.35Å; F223-Y227 AromaticContact CD2-CD2 3.47Å; F223-Y227 HydrophobicContact CD2-CD2 3.47Å; F223-Y227 VanDerWaalsContact CD2-CD2 3.47Å; F223-Y227 AromaticContact CD2-CE2 3.53Å; F223-Y227 HydrophobicContact CD2-CE2 3.53Å; F223-Y227 HydrophobicContact CE1-CD2 4.3Å; F223-Y227 AromaticContact CE2-CD2 3.39Å; F223-Y227 HydrophobicContact CE2-CD2 3.39Å; F223-Y227 AromaticContact CE2-CE2 3.53Å; F223-Y227 HydrophobicContact CE2-CE2 3.53Å; F223-Y227 HydrophobicContact CE2-CG 4.42Å; F223-Y227 AromaticContact CG-CD2 3.96Å; F223-Y227 HydrophobicContact CG-CD2 3.96Å; F223-Y227 HydrophobicContact CG-CE2 4.39Å; F223-Y227 AromaticContact CZ-CD2 3.83Å; F223-Y227 HydrophobicContact CZ-CD2 3.83Å; F223-Y227 HydrophobicContact CZ-CE2 4.38Å; F223-Y227 VanDerWaalsContact O-CD2 3.29Å; F223-Y227 WeakPolarHBondContact O-CD2 2.89Å; F223-Y227 PolarHBondContact O-N 2.77Å
224M96.4Very high92.5Very high61 Ų61117.1 Ų117.130%0.354%0.539SS..Hα-helixtrans-66.7-39.7178.7-65.1-55.9165.100112.2H220 K221 K226 I228 K229H220-M224 WeakPolarHBondContact CE1-CE 3.05Å; H220-M224 WeakPolarHBondContact NE2-CE 3.1Å; H220-M224 WeakPolarHBondContact O-CG 3.45Å; H220-M224 PolarHBondContact O-N 3.09Å; K221-M224 PolarHBondContact O-N 2.82Å; M224-K226 VanDerWaalsContact C-N 3.26Å; M224-K226 PolarHBondContact O-N 3.39Å; M224-I228 HydrophobicContact CE-CD1 4.45Å; M224-I228 WeakPolarHBondContact O-CB 3.42Å; M224-I228 PolarHBondContact O-N 3.18Å; M224-I228 HydrophobicContact SD-CD1 3.21Å; M224-I228 WeakPolarHBondContact SD-CD1 3.16Å; M224-I228 HydrophobicContact SD-CG1 3.94Å; M224-K229 PolarHBondContact O-N 3.4Å
225E94.7Very high92.4Very high131 Ų131117.2 Ų117.261%0.61253%0.528SS*.Hα-helixtrans-62.8-31.4174.1-173.3173.9-158.300112.8K221K221-E225 WeakPolarHBondContact O-CB 3.2Å; K221-E225 PolarHBondContact O-N 2.67Å
226K96.2Very high92.4Very high144 Ų144117.6 Ų117.663%0.62652%0.524SS*.Hα-helixtrans-82.8-37.4-179.5-175.5179179.5-166.80113.9K222 F223 M224K222-K226 WeakPolarHBondContact O-CB 3.27Å; K222-K226 PolarHBondContact O-N 2.91Å; F223-K226 PolarHBondContact O-N 3.13Å; M224-K226 VanDerWaalsContact C-N 3.26Å; M224-K226 PolarHBondContact O-N 3.39Å
227Y96.9Very high92.5Very high144 Ų144115 Ų11557%0.56552%0.52SS*.Hα-helixtrans-111-13.5-167.9-64.8-66.1000114.7F223F223-Y227 HydrophobicContact CD1-CD2 4.35Å; F223-Y227 AromaticContact CD2-CD2 3.47Å; F223-Y227 HydrophobicContact CD2-CD2 3.47Å; F223-Y227 VanDerWaalsContact CD2-CD2 3.47Å; F223-Y227 AromaticContact CD2-CE2 3.53Å; F223-Y227 HydrophobicContact CD2-CE2 3.53Å; F223-Y227 HydrophobicContact CE1-CD2 4.3Å; F223-Y227 AromaticContact CE2-CD2 3.39Å; F223-Y227 HydrophobicContact CE2-CD2 3.39Å; F223-Y227 AromaticContact CE2-CE2 3.53Å; F223-Y227 HydrophobicContact CE2-CE2 3.53Å; F223-Y227 HydrophobicContact CE2-CG 4.42Å; F223-Y227 AromaticContact CG-CD2 3.96Å; F223-Y227 HydrophobicContact CG-CD2 3.96Å; F223-Y227 HydrophobicContact CG-CE2 4.39Å; F223-Y227 AromaticContact CZ-CD2 3.83Å; F223-Y227 HydrophobicContact CZ-CD2 3.83Å; F223-Y227 HydrophobicContact CZ-CE2 4.38Å; F223-Y227 VanDerWaalsContact O-CD2 3.29Å; F223-Y227 WeakPolarHBondContact O-CD2 2.89Å; F223-Y227 PolarHBondContact O-N 2.77Å
228I92.5Very high92.6Very high132 Ų132121.7 Ų121.768%0.67754%0.543SS*.THydrogen-bonded Turntrans-116-39.6179.8-56.8-168.7000111.9M224M224-I228 HydrophobicContact CE-CD1 4.45Å; M224-I228 WeakPolarHBondContact O-CB 3.42Å; M224-I228 PolarHBondContact O-N 3.18Å; M224-I228 HydrophobicContact SD-CD1 3.21Å; M224-I228 WeakPolarHBondContact SD-CD1 3.16Å; M224-I228 HydrophobicContact SD-CG1 3.94Å
229K78.3Confident92.8Very high221 Ų221123.8 Ų123.896%0.96155%0.551SS**  trans-93.30-176.9-163.7173.4-177.1179.20111.7M224M224-K229 PolarHBondContact O-N 3.4Å

Retrieved 229 of 229 residues in 33 ms (Link to these results)