A0A3B3VGZ8_9TELE Loading...

BCL2 interacting protein 3

AlphaFold DB , UniProt , Accession A0A3B3VGZ8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 191 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M34.1Very low37.6Very low236 Ų236145.5 Ų145.5100%1.16380%0.798SS**  088.40-70.2150.6114.600105.9
2S35.4Very low38.6Very low100 Ų100141.3 Ų141.370%0.69979%0.787SS**  89.1113.171.667.10000112.1
3L36.3Very low39.1Very low150 Ų150143.6 Ų143.679%0.78580%0.796SS**  trans60108.1141.9-62.2170000116.8
4Q40.7Very low39.5Very low162 Ų162146.6 Ų146.676%0.75780%0.801SS**  66.4108.384-173.3158.123.100112.8
5K35.4Very low40Very low180 Ų180140.2 Ų140.278%0.78378%0.782SS**  trans-174105.6146.3-131158.2170.2170.10109.9
6D34Very low40.4Very low129 Ų129137.3 Ų137.369%0.6977%0.774SS**  81.1121.196.6-67-17.7000112.6
7A38.7Very low41.6Very low87 Ų87144.1 Ų144.172%0.71979%0.785SS**  trans159.795.4136.900000106.2
8S36.5Very low42.1Very low107 Ų107142.1 Ų142.175%0.74878%0.778SS**  59.613385.872.10000113.3
9S39.2Very low42.6Very low91 Ų91142.6 Ų142.664%0.63677%0.774SS**  trans7681.2162.470.80000118.4
10D34.7Very low43.2Very low185 Ų185141.6 Ų141.699%0.98977%0.767SS**  -100.152.4127.3-78.1-37.6000108.3
11E49Very low43.2Very low173 Ų173142.1 Ų142.181%0.80877%0.765SS**  trans-110.1133.4159.5-173.3156.994.200106
12S49.5Very low43.9Very low95 Ų95139.9 Ų139.966%0.66475%0.749SS**  trans85.965.7167.5-154.90000118.1
13L44.2Very low44.4Very low172 Ų172140.5 Ų140.590%0.90175%0.753SS**SBendtrans-125.58.3141-70.2177.3000113.5G15L13-G15 PolarHBondContact O-N 3.43Å
14Q44.8Very low44.5Very low186 Ų186136.5 Ų136.587%0.86975%0.748SS**THydrogen-bonded Turntrans-84.916.9165.5-70.2-175.4-10.200112.8
15G48.1Very low44.6Very low50 Ų50136 Ų13652%0.51576%0.756SS.*THydrogen-bonded Turntrans-95.714172.500000113.8L13 W17L13-G15 PolarHBondContact O-N 3.43Å; G15-W17 PolarHBondContact O-N 3.4Å; G15-W17 VanDerWaalsContact O-N 3.16Å
16S46.4Very low44.7Very low94 Ų94130.8 Ų130.866%0.65775%0.753SS**  trans-76.8103177-173.50000109.2V18S16-V18 PolarHBondContact O-N 3.2Å
17W59.6Low44.9Very low252 Ų252130 Ų13096%0.95576%0.757SS**SBendtrans-53.996.4176.9-71.289000111.6G15G15-W17 PolarHBondContact O-N 3.4Å; G15-W17 VanDerWaalsContact O-N 3.16Å
18V51.7Low45.2Very low109 Ų109135.5 Ų135.566%0.66177%0.768SS**  trans103.188.7-178.3-175.40000112.3S16 L20S16-V18 PolarHBondContact O-N 3.2Å; V18-L20 HydrophobicContact CG1-CB 4.49Å; V18-L20 HydrophobicContact CG1-CD1 3.66Å; V18-L20 HydrophobicContact CG1-CG 3.57Å; V18-L20 PolarHBondContact O-N 3.45Å
19E52Low45.2Very low152 Ų152134.1 Ų134.171%0.7177%0.771SS**  trans-79.7103.1160.2-175.4156.5-157.400108.6
20L53.9Low45.2Very low122 Ų122136 Ų13664%0.63978%0.779SS**  trans-97.2100.9175.7-89.2160.7000109.7V18 F22V18-L20 HydrophobicContact CG1-CB 4.49Å; V18-L20 HydrophobicContact CG1-CD1 3.66Å; V18-L20 HydrophobicContact CG1-CG 3.57Å; V18-L20 PolarHBondContact O-N 3.45Å; L20-F22 HydrophobicContact CB-CD2 4.48Å; L20-F22 HydrophobicContact CB-CE2 4.2Å; L20-F22 PolarHBondContact O-N 2.84Å
21H43.7Very low45.5Very low153 Ų153132.1 Ų132.171%0.70877%0.766SS**  trans-69.5106167-85.6-94.6000110.2S23H21-S23 PolarHBondContact O-N 3.16Å
22F48.6Very low44.7Very low188 Ų188132.4 Ų132.483%0.82577%0.767SS**  trans-86.795.8160.7-77-86.7000108.6L20L20-F22 HydrophobicContact CB-CD2 4.48Å; L20-F22 HydrophobicContact CB-CE2 4.2Å; L20-F22 PolarHBondContact O-N 2.84Å
23S44.7Very low44.1Very low114 Ų114139.3 Ų139.380%0.79778%0.779SS**  trans-82.2114.8168.5-69.70000109.7H21H21-S23 PolarHBondContact O-N 3.16Å
24G39.9Very low43.6Very low65 Ų65134.4 Ų134.467%0.6777%0.77SS**  trans-74.4141.5174.400000113.2
25T42.9Very low43.6Very low153 Ų153131.5 Ų131.594%0.93977%0.77SS**  trans33.7120.4149.551.30000120.3
26G35.9Very low43.2Very low69 Ų69136.9 Ų136.971%0.71178%0.782SS**  trans154.8102.9149.800000116.2
27S39.4Very low42.8Very low112 Ų112141.1 Ų141.178%0.78379%0.791SS**  trans42.8117.9140.350.40000121.7
28Q45Very low41.9Very low203 Ų203137 Ų13795%0.94978%0.782SS**  trans62.2113.8130.4-149.7173.5105.500118.5
29G35.3Very low41.4Very low78 Ų78137.2 Ų137.280%0.80478%0.778SS**  trans169.7127.6165.900000113.4
30T40.3Very low41.1Very low131 Ų131134.4 Ų134.480%0.80477%0.773SS**  trans-66.9153.1-173.449.70000115.4
31S40.3Very low40.9Very low103 Ų103133.7 Ų133.772%0.7277%0.774SS**  trans64106.2149.5-58.50000118.7
32H33.2Very low41.4Very low179 Ų179131.1 Ų131.183%0.82977%0.773SS**  162.6133.2112.6-101.3-87.1000111.3
33R35.9Very low41.5Very low241 Ų241126.7 Ų126.791%0.90977%0.766SS**  trans62.5109.3135.4-158.1177.5-154.5-97.32118.4
34G34.2Very low42.1Very low69 Ų69125.8 Ų125.871%0.71175%0.749SS**  trans112114.2138.100000116.4
35S45.1Very low43Very low124 Ų124128 Ų12887%0.86774%0.742SS**  trans45.786137.8-173.70000117.6
36Q39.8Very low43.9Very low164 Ų164122.9 Ų122.977%0.76672%0.719SS**  trans-150.883151.4-157.2141.817.100110.4H38Q36-H38 VanDerWaalsContact C-N 3.31Å; Q36-H38 PolarHBondContact O-N 2.91Å
37E37.7Very low45.4Very low182 Ų182123.8 Ų123.885%0.8571%0.708SS**  trans-67.499.3159.4-66-131.1150.700107.2I39E37-I39 VanDerWaalsContact C-N 3.29Å; E37-I39 PolarHBondContact O-N 3.01Å
38H40.7Very low47.2Very low166 Ų166122.1 Ų122.177%0.76969%0.693SS**  trans-58.695.4162.2-102.9-104.1000108Q36 P40Q36-H38 VanDerWaalsContact C-N 3.31Å; Q36-H38 PolarHBondContact O-N 2.91Å; H38-P40 WeakPolarHBondContact O-CD 3.36Å
39I41Very low48.5Very low114 Ų114116.9 Ų116.959%0.58567%0.668SS**  trans-78.2118.6165.7-59.7176.9000106.4E37 T41E37-I39 VanDerWaalsContact C-N 3.29Å; E37-I39 PolarHBondContact O-N 3.01Å; I39-T41 PolarHBondContact O-N 3.28Å
40P45.6Very low50.5Low92 Ų92118.2 Ų118.260%0.59765%0.652SS**  trans-65.8106.6170.124.5-28.6000108.5H38 S42H38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-S42 PolarHBondContact O-N 2.99Å
41T50Low52.3Low108 Ų108117 Ų11766%0.66364%0.639SS**THydrogen-bonded Turntrans-70.1-8.3178.548.90000113.2I39 S43 Q44I39-T41 PolarHBondContact O-N 3.28Å; T41-S43 VanDerWaalsContact C-N 3.34Å; T41-S43 PolarHBondContact O-N 3.35Å; T41-Q44 PolarHBondContact O-N 3.35Å
42S53.6Low54.4Low99 Ų99118 Ų11869%0.69264%0.635SS**Hα-helixtrans-67.2-28.6-176.260.70000113.9P40P40-S42 PolarHBondContact O-N 2.99Å
43S51.9Low56.6Low95 Ų95115.1 Ų115.166%0.66463%0.625SS**Hα-helixtrans-83.1-13.1-179.671.20000114.3T41T41-S43 VanDerWaalsContact C-N 3.34Å; T41-S43 PolarHBondContact O-N 3.35Å
44Q56.2Low58.5Low95 Ų95108.4 Ų108.444%0.44460%0.604SS.*Hα-helixtrans-88.4-29178.1-89.1171.833.800112.7T41 G46 D47 V48T41-Q44 PolarHBondContact O-N 3.35Å; Q44-G46 VanDerWaalsContact C-N 3.3Å; Q44-G46 PolarHBondContact O-N 3.09Å; Q44-D47 PolarHBondContact O-N 2.94Å; Q44-D47 VanDerWaalsContact O-N 3.14Å; Q44-V48 PolarHBondContact O-N 2.81Å
45Q58.1Low60.6Low111 Ų111107.9 Ų107.952%0.51959%0.593SS.*Hα-helixtrans-55.7-44.2177.6-172.968.420.100111.9D47 V48 E49Q45-D47 VanDerWaalsContact C-N 3.32Å; Q45-D47 PolarHBondContact O-N 2.78Å; Q45-V48 WeakPolarHBondContact O-CG2 3.28Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.41Å; Q45-E49 PolarHBondContact NE2-OE1 3.14Å; Q45-E49 WeakPolarHBondContact O-CB 3.13Å; Q45-E49 VanDerWaalsContact O-CG 3.28Å; Q45-E49 WeakPolarHBondContact O-CG 3.43Å; Q45-E49 PolarHBondContact O-N 3.35Å; Q45-E49 VanDerWaalsContact O-N 3.09Å
46G61.7Low62Low45 Ų45109.1 Ų109.146%0.46459%0.585SS.*Hα-helixtrans-67.9-28.118000000114.2Q44 K50Q44-G46 VanDerWaalsContact C-N 3.3Å; Q44-G46 PolarHBondContact O-N 3.09Å; G46-K50 VanDerWaalsContact O-CB 3.24Å; G46-K50 WeakPolarHBondContact O-CB 3.36Å; G46-K50 PolarHBondContact O-N 3.36Å; G46-K50 VanDerWaalsContact O-N 3.09Å
47D69.3Low63.4Low89 Ų89107.6 Ų107.648%0.47658%0.578SS.*Hα-helixtrans-80.6-34.2-177.6-152.525.3000111.7Q44 Q45 K50 M51Q44-D47 PolarHBondContact O-N 2.94Å; Q44-D47 VanDerWaalsContact O-N 3.14Å; Q45-D47 VanDerWaalsContact C-N 3.32Å; Q45-D47 PolarHBondContact O-N 2.78Å; D47-K50 IonicContact OD1-NZ 2.65Å; D47-K50 PolarHBondContact OD1-NZ 3.01Å; D47-M51 PolarHBondContact O-N 3.07Å; D47-M51 VanDerWaalsContact O-N 3.09Å
48V76.4Confident64.5Low76 Ų76105.6 Ų105.646%0.46157%0.568SS.*Hα-helixtrans-71.8-42.2172.9-59.90000111.5Q44 Q45 K50 M51 L52Q44-V48 PolarHBondContact O-N 2.81Å; Q45-V48 WeakPolarHBondContact O-CG2 3.28Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.33Å; V48-M51 PolarHBondContact O-N 2.65Å; V48-M51 VanDerWaalsContact O-N 3.15Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; V48-L52 PolarHBondContact O-N 3.47Å
49E71.6Confident65.5Low93 Ų93102.2 Ų102.244%0.43556%0.563SS.*Hα-helixtrans-61.4-42.6175.6-73.8174.2-176.600111Q45 M51 L52 L53Q45-E49 WeakPolarHBondContact CG-OE1 3.41Å; Q45-E49 PolarHBondContact NE2-OE1 3.14Å; Q45-E49 WeakPolarHBondContact O-CB 3.13Å; Q45-E49 VanDerWaalsContact O-CG 3.28Å; Q45-E49 WeakPolarHBondContact O-CG 3.43Å; Q45-E49 PolarHBondContact O-N 3.35Å; Q45-E49 VanDerWaalsContact O-N 3.09Å; E49-M51 PolarHBondContact O-N 2.75Å; E49-L52 PolarHBondContact O-N 2.77Å; E49-L53 WeakPolarHBondContact O-CB 2.99Å; E49-L53 WeakPolarHBondContact O-CG 3.18Å; E49-L53 PolarHBondContact O-N 3.48Å
50K77.9Confident66.3Low106 Ų10699.3 Ų99.346%0.46156%0.561SS.*Hα-helixtrans-55.7-47.6171.2149.1175.9159.3-78.20112.4G46 D47 V48 L53 E54G46-K50 VanDerWaalsContact O-CB 3.24Å; G46-K50 WeakPolarHBondContact O-CB 3.36Å; G46-K50 PolarHBondContact O-N 3.36Å; G46-K50 VanDerWaalsContact O-N 3.09Å; D47-K50 IonicContact OD1-NZ 2.65Å; D47-K50 PolarHBondContact OD1-NZ 3.01Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.33Å; K50-L53 PolarHBondContact O-N 3.15Å; K50-E54 WeakPolarHBondContact O-CB 3.24Å; K50-E54 PolarHBondContact O-N 2.83Å
51M78.9Confident66.8Low107 Ų107104.1 Ų104.153%0.52757%0.568SS.*Hα-helixtrans-68.1-38.3-177.6-168.2177.2-74.200111.4D47 V48 E49 E54 A55D47-M51 PolarHBondContact O-N 3.07Å; D47-M51 VanDerWaalsContact O-N 3.09Å; V48-M51 PolarHBondContact O-N 2.65Å; V48-M51 VanDerWaalsContact O-N 3.15Å; E49-M51 PolarHBondContact O-N 2.75Å; M51-E54 WeakPolarHBondContact O-CG 3.34Å; M51-E54 PolarHBondContact O-N 3.42Å; M51-A55 PolarHBondContact O-N 2.78Å
52L82.8Confident66.8Low124 Ų124103.7 Ų103.765%0.64957%0.569SS**Hα-helixtrans-63.8-42173.9-68.5171.7000111.7V48 E49 A55 Q56V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; V48-L52 PolarHBondContact O-N 3.47Å; E49-L52 PolarHBondContact O-N 2.77Å; L52-A55 PolarHBondContact O-N 3.16Å; L52-Q56 PolarHBondContact O-N 3.26Å
53L79.6Confident66.8Low117 Ų117103.9 Ų103.961%0.61357%0.571SS**Hα-helixtrans-65.8-36.5174.7-69.3169.8000112.2E49 K50 Q56 H57E49-L53 WeakPolarHBondContact O-CB 2.99Å; E49-L53 WeakPolarHBondContact O-CG 3.18Å; E49-L53 PolarHBondContact O-N 3.48Å; K50-L53 PolarHBondContact O-N 3.15Å; L53-Q56 PolarHBondContact O-N 2.98Å; L53-H57 PolarHBondContact O-N 3.49Å
54E76.9Confident66.9Low100 Ų100104 Ų10447%0.46757%0.572SS.*Hα-helixtrans-66.6-43.9176.8110.7-176.417500111.8K50 M51 Q56 H57 E58K50-E54 WeakPolarHBondContact O-CB 3.24Å; K50-E54 PolarHBondContact O-N 2.83Å; M51-E54 WeakPolarHBondContact O-CG 3.34Å; M51-E54 PolarHBondContact O-N 3.42Å; E54-Q56 VanDerWaalsContact C-N 3.27Å; E54-Q56 PolarHBondContact O-N 3.27Å; E54-H57 PolarHBondContact O-N 2.93Å; E54-H57 VanDerWaalsContact O-N 3.08Å; E54-E58 PolarHBondContact O-N 2.88Å
55A76.9Confident66.9Low59 Ų59109.7 Ų109.749%0.48860%0.595SS.*Hα-helixtrans-61.7-38.9178.600000111.2M51 L52 S59M51-A55 PolarHBondContact O-N 2.78Å; L52-A55 PolarHBondContact O-N 3.16Å; A55-S59 WeakPolarHBondContact O-CB 3.4Å; A55-S59 PolarHBondContact O-N 3.06Å; A55-S59 VanDerWaalsContact O-N 3.15Å
56Q75.9Confident66.6Low150 Ų150108.1 Ų108.170%0.70161%0.608SS**Hα-helixtrans-66.2-39.5174.6-169.5173-32.900111.8L52 L53 E54 S59L52-Q56 PolarHBondContact O-N 3.26Å; L53-Q56 PolarHBondContact O-N 2.98Å; E54-Q56 VanDerWaalsContact C-N 3.27Å; E54-Q56 PolarHBondContact O-N 3.27Å; Q56-S59 WeakPolarHBondContact O-CB 3.27Å; Q56-S59 PolarHBondContact O-N 3.41Å
57H68.4Low65.9Low132 Ų132110.7 Ų110.761%0.61162%0.619SS**Hα-helixtrans-73.3-34.4-179.7-162.4-154.2000112.9L53 E54 G60L53-H57 PolarHBondContact O-N 3.49Å; E54-H57 PolarHBondContact O-N 2.93Å; E54-H57 VanDerWaalsContact O-N 3.08Å; H57-G60 PolarHBondContact O-N 2.9Å
58E61.8Low65.2Low139 Ų139111.2 Ų111.265%0.6563%0.63SS**Hα-helixtrans-67.7-36.3174.1-173.7171.1-177.400111.8E54 G60 R61 S62E54-E58 PolarHBondContact O-N 2.88Å; E58-G60 PolarHBondContact O-N 2.98Å; E58-R61 PolarHBondContact O-N 3.2Å; E58-R61 VanDerWaalsContact O-N 3.13Å; E58-S62 PolarHBondContact O-N 2.92Å
59S60.3Low63.8Low95 Ų95115.7 Ų115.766%0.66465%0.646SS**Hα-helixtrans-58.1-33177.2-1560000112.7A55 Q56A55-S59 WeakPolarHBondContact O-CB 3.4Å; A55-S59 PolarHBondContact O-N 3.06Å; A55-S59 VanDerWaalsContact O-N 3.15Å; Q56-S59 WeakPolarHBondContact O-CB 3.27Å; Q56-S59 PolarHBondContact O-N 3.41Å
60G58.2Low62.3Low53 Ų53115.7 Ų115.755%0.54666%0.655SS.*Hα-helixtrans-81.3-20.6178.700000115.5H57 E58 S63H57-G60 PolarHBondContact O-N 2.9Å; E58-G60 PolarHBondContact O-N 2.98Å; G60-S63 PolarHBondContact O-OG 3.47Å
61R56.8Low60.9Low194 Ų194118.6 Ų118.673%0.73268%0.675SS**Hα-helixtrans-93.4-14.8-176.3-63.8-179.475.7-179.44.7113.6E58 S63E58-R61 PolarHBondContact O-N 3.2Å; E58-R61 VanDerWaalsContact O-N 3.13Å; R61-S63 VanDerWaalsContact C-N 3.29Å; R61-S63 PolarHBondContact O-N 3.45Å
62S49.4Very low59.2Low98 Ų98117.4 Ų117.469%0.68568%0.678SS**THydrogen-bonded Turntrans-80.4-1.3-178.1-162.70000114.3E58E58-S62 PolarHBondContact O-N 2.92Å
63S54.5Low57.4Low104 Ų104117.2 Ų117.273%0.72768%0.684SS**THydrogen-bonded Turntrans-88.3-0.7-170.559.90000116.5G60 R61G60-S63 PolarHBondContact O-OG 3.47Å; R61-S63 VanDerWaalsContact C-N 3.29Å; R61-S63 PolarHBondContact O-N 3.45Å
64S53.1Low55.6Low98 Ų98119.7 Ų119.769%0.68570%0.697SS**SBendtrans-135.915-165.267.40000119.4
65K56Low54Low214 Ų214125.3 Ų125.393%0.9371%0.714SS**SBendtrans-164.591.1162.5-124.7168.1167.6179.20114
66G53.2Low52.6Low77 Ų77125.9 Ų125.979%0.79471%0.714SS**  trans82.369.915400000117.6S68G66-S68 PolarHBondContact O-N 2.85Å
67S47Very low51.1Low99 Ų99127.6 Ų127.669%0.69272%0.722SS**  trans-9278.8157.661.50000109.8
68S52.6Low49.8Very low101 Ų101125 Ų12571%0.70672%0.716SS**  trans-86.9124.6164.953.90000109.1G66G66-S68 PolarHBondContact O-N 2.85Å
69Q47.5Very low49Very low170 Ų170123 Ų12379%0.79472%0.715SS**  trans73.576.5-175.3-92.896.422.100116.8
70C41.5Very low48.5Very low93 Ų93125.2 Ų125.263%0.62872%0.718SS**  trans-91.6108.4141.1-67.70000107.8S72C70-S72 PolarHBondContact O-N 3.36Å
71N47.7Very low47.9Very low166 Ų166130.9 Ų130.989%0.88874%0.735SS**  trans-77.658.3158.7-89.4-44.4000108.8
72S42.7Very low47.3Very low83 Ų83129 Ų12958%0.5874%0.739SS**  trans-98.8134.7168.1-53.40000106.5C70 L74C70-S72 PolarHBondContact O-N 3.36Å; S72-L74 PolarHBondContact O-N 3.46Å
73P44.7Very low47.1Very low120 Ų120135.3 Ų135.378%0.77975%0.748SS**  trans-51.9138.717221.6-30.1000108.5R75P73-R75 PolarHBondContact O-N 2.79Å
74L43Very low46.7Very low169 Ų169141.9 Ų141.989%0.88576%0.757SS**  trans-40.5117.2-178.1-94.672.9000108.6S72 S76S72-L74 PolarHBondContact O-N 3.46Å; L74-S76 PolarHBondContact O-N 3.3Å
75R43.7Very low46Very low217 Ų217140.1 Ų140.182%0.81975%0.754SS**  trans-50109176.5-175.5173.5-179.593.3-1107P73 Q77P73-R75 PolarHBondContact O-N 2.79Å; R75-Q77 PolarHBondContact O-N 3.06Å; R75-Q77 VanDerWaalsContact O-N 3.12Å
76S46.4Very low45.1Very low71 Ų71135.8 Ų135.850%0.49775%0.751SS.*  trans-55.1121.3170.541.30000106.1L74 T78L74-S76 PolarHBondContact O-N 3.3Å; S76-T78 VanDerWaalsContact C-N 3.33Å; S76-T78 PolarHBondContact O-N 3.35Å
77Q45.4Very low44.9Very low186 Ų186141.4 Ų141.487%0.86976%0.757SS**  trans-54.8103.9174.3-73.1178.321.500106.9R75 P79R75-Q77 PolarHBondContact O-N 3.06Å; R75-Q77 VanDerWaalsContact O-N 3.12Å; Q77-P79 WeakPolarHBondContact O-CD 3.42Å
78T41.1Very low44.7Very low79 Ų79139.6 Ų139.649%0.48575%0.754SS.*  trans-65.2122.9174-35.30000105.7S76 L80S76-T78 VanDerWaalsContact C-N 3.33Å; S76-T78 PolarHBondContact O-N 3.35Å; T78-L80 HydrophobicContact CG2-CB 4.49Å; T78-L80 HydrophobicContact CG2-CD1 4.09Å; T78-L80 HydrophobicContact CG2-CG 4.13Å; T78-L80 PolarHBondContact O-N 2.94Å
79P45.3Very low44.4Very low96 Ų96142.1 Ų142.162%0.62376%0.759SS**THydrogen-bonded Turntrans-77.547.4-176.333.3-35.4000111Q77 L107Q77-P79 WeakPolarHBondContact O-CD 3.42Å; P79-L107 HydrophobicContact CB-CD2 4.16Å; P79-L107 HydrophobicContact CG-CD2 4.24Å
80L49Very low44.1Very low141 Ų141138.7 Ų138.774%0.73875%0.754SS**THydrogen-bonded Turntrans-112.60.1-179.9-69.4-178.2000113.5T78T78-L80 HydrophobicContact CG2-CB 4.49Å; T78-L80 HydrophobicContact CG2-CD1 4.09Å; T78-L80 HydrophobicContact CG2-CG 4.13Å; T78-L80 PolarHBondContact O-N 2.94Å
81L45.7Very low44.7Very low173 Ų173140 Ų14091%0.90676%0.764SS**SBendtrans-101.28.8175.3-78.5176.4000114.6
82L44.8Very low45Very low155 Ų155136.7 Ų136.781%0.81274%0.743SS**SBendtrans-102.94.6174.4-155.968.4000113.5
83W45.1Very low46.1Very low229 Ų229134.6 Ų134.687%0.86773%0.729SS**SBendtrans-99.8-3.6-178.1-154.3-92.7000114.5
84R45.8Very low47Very low242 Ų242135.1 Ų135.191%0.91373%0.725SS**SBendtrans-102.889.1178.2-171.1160.6-74.4-157.6-2.4111.7
85G37.2Very low48Very low61 Ų61133.6 Ų133.663%0.62971%0.713SS**  trans69.977.2140.600000117.3
86S37.8Very low49.2Very low123 Ų123126.9 Ų126.986%0.8669%0.693SS**  trans-93.583.8144-169.80000107.2G88S86-G88 PolarHBondContact O-N 3.37Å
87E49.3Very low50.2Low196 Ų196128.7 Ų128.792%0.91669%0.693SS**  trans-84.7100.7167.9-65.6-173.1148.200107.3
88G43Very low51.6Low61 Ų61125.6 Ų125.663%0.62968%0.678SS**  trans171.273.2179.800000114.9S86S86-G88 PolarHBondContact O-N 3.37Å
89N45.2Very low53.2Low153 Ų153126.5 Ų126.582%0.81868%0.677SS**  trans54.497.9142.1-162.781.6000118.6
90S43.1Very low54.7Low99 Ų99127.7 Ų127.769%0.69267%0.669SS**  154.5133.5117.461.60000110.8Q92S90-Q92 PolarHBondContact O-N 3.45Å
91S53.1Low56Low120 Ų120130.5 Ų130.584%0.83967%0.67SS**  trans32.177.5160.5-55.40000116.8S93S91-S93 PolarHBondContact O-N 3.49Å
92Q54.3Low57.7Low97 Ų97130.5 Ų130.545%0.45366%0.658SS.*  trans-67.2101168.7-166.2174.4-14.200108.1S90 D96 F97S90-Q92 PolarHBondContact O-N 3.45Å; Q92-D96 HydrophobicContact CG-CB 4.21Å; Q92-F97 HydrophobicContact CB-CE2 4.34Å; Q92-F97 HydrophobicContact CG-CD2 4.01Å; Q92-F97 HydrophobicContact CG-CE2 3.63Å; Q92-F97 HydrophobicContact CG-CZ 4.42Å
93S65.8Low59.3Low39 Ų39128.2 Ų128.227%0.27364%0.643SS.*  trans-67.3154.7-179.862.80000110.5S91 E95 D96S91-S93 PolarHBondContact O-N 3.49Å; S93-E95 WeakPolarHBondContact CB-OE2 3.43Å; S93-E95 PolarHBondContact O-N 2.87Å; S93-E95 WeakPolarHBondContact OG-CB 3.36Å; S93-E95 PolarHBondContact OG-OE2 2.94Å; S93-D96 PolarHBondContact O-N 3.32Å; S93-D96 VanDerWaalsContact O-N 3.15Å
94D62.3Low60.8Low130 Ų130120.7 Ų120.770%0.69562%0.622SS**Hα-helixtrans-58.1-13.7172.7-71.2-42.2000112.6Q98D94-Q98 WeakPolarHBondContact O-CG 3.2Å; D94-Q98 PolarHBondContact O-N 3.44Å; D94-Q98 PolarHBondContact O-NE2 3.18Å
95E64.3Low62.4Low137 Ų137115.4 Ų115.464%0.6461%0.608SS**Hα-helixtrans-73.5-45.2178.1-50.5152.2170.700110.7S93 F97 Q98 E99S93-E95 WeakPolarHBondContact CB-OE2 3.43Å; S93-E95 PolarHBondContact O-N 2.87Å; S93-E95 WeakPolarHBondContact OG-CB 3.36Å; S93-E95 PolarHBondContact OG-OE2 2.94Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.09Å; E95-Q98 CarbonylContact O-C 3.47Å; E95-Q98 PolarHBondContact O-N 3.15Å; E95-Q98 VanDerWaalsContact O-N 3.16Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.22Å
96D69.1Low64.3Low76 Ų76115.8 Ų115.841%0.40660%0.6SS.*Hα-helixtrans-62.9-38176.7-91.213.6000111.8Q92 S93 R100Q92-D96 HydrophobicContact CG-CB 4.21Å; S93-D96 PolarHBondContact O-N 3.32Å; S93-D96 VanDerWaalsContact O-N 3.15Å; D96-R100 VanDerWaalsContact O-CB 3.24Å; D96-R100 WeakPolarHBondContact O-CB 3.48Å; D96-R100 PolarHBondContact O-N 3.14Å
97F68.4Low66.3Low110 Ų110112 Ų11248%0.48257%0.57SS.*Hα-helixtrans-65.8-41.4175.3-85.4-81.4000111.5Q92 E95 R101Q92-F97 HydrophobicContact CB-CE2 4.34Å; Q92-F97 HydrophobicContact CG-CD2 4.01Å; Q92-F97 HydrophobicContact CG-CE2 3.63Å; Q92-F97 HydrophobicContact CG-CZ 4.42Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.09Å; F97-R101 VanDerWaalsContact O-CB 3.27Å; F97-R101 WeakPolarHBondContact O-CB 3.3Å; F97-R101 PolarHBondContact O-N 3.31Å
98Q73.8Confident67.6Low120 Ų120108.9 Ų108.956%0.56156%0.557SS**Hα-helixtrans-72.8-34.3177.5-74.7-176.688.100112.7D94 E95 R101 R102D94-Q98 WeakPolarHBondContact O-CG 3.2Å; D94-Q98 PolarHBondContact O-N 3.44Å; D94-Q98 PolarHBondContact O-NE2 3.18Å; E95-Q98 CarbonylContact O-C 3.47Å; E95-Q98 PolarHBondContact O-N 3.15Å; E95-Q98 VanDerWaalsContact O-N 3.16Å; Q98-R101 PolarHBondContact O-N 3.3Å; Q98-R102 WeakPolarHBondContact O-CB 3.23Å; Q98-R102 WeakPolarHBondContact O-CG 3.48Å; Q98-R102 PolarHBondContact O-N 2.81Å
99E75.9Confident69.1Low99 Ų99114.1 Ų114.146%0.46356%0.563SS.*Hα-helixtrans-65.5-51173.1-176.1161.4-146.200110.4E95 R101 R102 E103E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.22Å; E99-R101 PolarHBondContact O-N 3.19Å; E99-R102 CarbonylContact O-C 3.59Å; E99-R102 PolarHBondContact O-N 2.91Å; E99-E103 HydrophobicContact CG-CG 4.37Å; E99-E103 WeakPolarHBondContact O-CB 3.2Å; E99-E103 WeakPolarHBondContact O-CG 3.07Å; E99-E103 PolarHBondContact O-N 3.09Å
100R76Confident70.5Confident120 Ų120113.1 Ų113.145%0.45355%0.551SS.*Hα-helixtrans-55.7-39.1173.6-172.4179.6-65.1-173.81.8111.9D96 E103 V104D96-R100 VanDerWaalsContact O-CB 3.24Å; D96-R100 WeakPolarHBondContact O-CB 3.48Å; D96-R100 PolarHBondContact O-N 3.14Å; R100-E103 PolarHBondContact O-N 2.67Å; R100-V104 WeakPolarHBondContact O-CB 3.43Å; R100-V104 WeakPolarHBondContact O-CG2 3.45Å; R100-V104 PolarHBondContact O-N 2.83Å
101R76.9Confident72.1Confident201 Ų201109.7 Ų109.776%0.75853%0.525SS*.Hα-helixtrans-68.8-40.7178.5-152.5174-179.5168.3-0.4111.9F97 Q98 E99 V104 E105F97-R101 VanDerWaalsContact O-CB 3.27Å; F97-R101 WeakPolarHBondContact O-CB 3.3Å; F97-R101 PolarHBondContact O-N 3.31Å; Q98-R101 PolarHBondContact O-N 3.3Å; E99-R101 PolarHBondContact O-N 3.19Å; R101-V104 PolarHBondContact O-N 2.71Å; R101-E105 WeakPolarHBondContact O-CB 3.3Å; R101-E105 PolarHBondContact O-N 2.79Å
102R80.2Confident73.3Confident172 Ų172106.1 Ų106.165%0.64950%0.503SS*.Hα-helixtrans-68.9-36.3173.9-79.8-170-71.9-178.3-2112.7Q98 E99 E105 S106Q98-R102 WeakPolarHBondContact O-CB 3.23Å; Q98-R102 WeakPolarHBondContact O-CG 3.48Å; Q98-R102 PolarHBondContact O-N 2.81Å; E99-R102 CarbonylContact O-C 3.59Å; E99-R102 PolarHBondContact O-N 2.91Å; R102-E105 PolarHBondContact O-N 2.75Å; R102-S106 WeakPolarHBondContact O-CB 3.33Å; R102-S106 PolarHBondContact O-N 3.44Å
103E79.4Confident74.3Confident108 Ų108107.6 Ų107.651%0.50551%0.514SS..Hα-helixtrans-65.2-43.6173.9-74.3-179.5171.300111.1E99 R100 S106 L107E99-E103 HydrophobicContact CG-CG 4.37Å; E99-E103 WeakPolarHBondContact O-CB 3.2Å; E99-E103 WeakPolarHBondContact O-CG 3.07Å; E99-E103 PolarHBondContact O-N 3.09Å; R100-E103 PolarHBondContact O-N 2.67Å; E103-S106 PolarHBondContact O-N 3.02Å; E103-L107 WeakPolarHBondContact O-CA 3.19Å; E103-L107 WeakPolarHBondContact O-CB 3.24Å; E103-L107 PolarHBondContact O-N 2.83Å
104V76.8Confident74.9Confident70 Ų70110.3 Ų110.342%0.42452%0.518SS..Hα-helixtrans-64.7-42.6175.31700000110.8R100 R101 L107 M108R100-V104 WeakPolarHBondContact O-CB 3.43Å; R100-V104 WeakPolarHBondContact O-CG2 3.45Å; R100-V104 PolarHBondContact O-N 2.83Å; R101-V104 PolarHBondContact O-N 2.71Å; V104-L107 PolarHBondContact O-N 2.76Å; V104-M108 HydrophobicContact CG1-CE 4.42Å; V104-M108 WeakPolarHBondContact O-CB 3.07Å; V104-M108 WeakPolarHBondContact O-CG 3.28Å; V104-M108 PolarHBondContact O-N 3.48Å
105E79.1Confident75.7Confident132 Ų132107.7 Ų107.762%0.61750%0.503SS*.Hα-helixtrans-66.2-43.8177.1-172.4177.1-171.200111.8R101 R102 L107 M108 K109R101-E105 WeakPolarHBondContact O-CB 3.3Å; R101-E105 PolarHBondContact O-N 2.79Å; R102-E105 PolarHBondContact O-N 2.75Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 2.79Å; E105-M108 PolarHBondContact O-N 2.92Å; E105-K109 VanDerWaalsContact O-CB 3.23Å; E105-K109 WeakPolarHBondContact O-CB 3.26Å; E105-K109 PolarHBondContact O-N 2.83Å
106S77.4Confident76.2Confident68 Ų68109.5 Ų109.548%0.47651%0.505SS..Hα-helixtrans-61-40.6172.6179.30000111.2R102 E103 K109 K110R102-S106 WeakPolarHBondContact O-CB 3.33Å; R102-S106 PolarHBondContact O-N 3.44Å; E103-S106 PolarHBondContact O-N 3.02Å; S106-K109 PolarHBondContact O-N 3.31Å; S106-K110 VanDerWaalsContact O-CB 3.28Å; S106-K110 WeakPolarHBondContact O-CB 3.45Å; S106-K110 WeakPolarHBondContact O-CD 3.49Å; S106-K110 WeakPolarHBondContact O-CG 3.11Å; S106-K110 PolarHBondContact O-N 3.22Å
107L78.4Confident76.5Confident44 Ų44110.6 Ų110.623%0.2351%0.51CS..Hα-helixtrans-65.5-46.2176.4-173.665.1000111.5P79 E103 V104 E105 K110 N111P79-L107 HydrophobicContact CB-CD2 4.16Å; P79-L107 HydrophobicContact CG-CD2 4.24Å; E103-L107 WeakPolarHBondContact O-CA 3.19Å; E103-L107 WeakPolarHBondContact O-CB 3.24Å; E103-L107 PolarHBondContact O-N 2.83Å; V104-L107 PolarHBondContact O-N 2.76Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 2.79Å; L107-K110 HydrophobicContact CD1-CD 4.41Å; L107-K110 HydrophobicContact CD1-CG 4.49Å; L107-K110 WeakPolarHBondContact O-CG 3.07Å; L107-N111 WeakPolarHBondContact CD1-ND2 3.42Å; L107-N111 VanDerWaalsContact CG-ND2 3.28Å; L107-N111 WeakPolarHBondContact CG-ND2 3Å; L107-N111 WeakPolarHBondContact O-CB 3.44Å; L107-N111 PolarHBondContact O-N 2.83Å; L107-N111 PolarHBondContact O-ND2 3.35Å
108M76.4Confident76.7Confident130 Ų130114.1 Ų114.164%0.6452%0.521SS*.Hα-helixtrans-63.5-42.6175.4-76.2-167.3172.900111.5V104 E105 N111 A112V104-M108 HydrophobicContact CG1-CE 4.42Å; V104-M108 WeakPolarHBondContact O-CB 3.07Å; V104-M108 WeakPolarHBondContact O-CG 3.28Å; V104-M108 PolarHBondContact O-N 3.48Å; E105-M108 PolarHBondContact O-N 2.92Å; M108-N111 PolarHBondContact O-N 3.34Å; M108-A112 PolarHBondContact O-N 3Å
109K76.5Confident76.4Confident171 Ų171112.1 Ų112.174%0.74352%0.52SS*.Hα-helixtrans-67.7-41.6-179.9-168.2174.5-177-173.50112.6E105 S106 N111E105-K109 VanDerWaalsContact O-CB 3.23Å; E105-K109 WeakPolarHBondContact O-CB 3.26Å; E105-K109 PolarHBondContact O-N 2.83Å; S106-K109 PolarHBondContact O-N 3.31Å; K109-N111 VanDerWaalsContact C-N 3.28Å; K109-N111 PolarHBondContact O-N 3.48Å
110K73.9Confident75.8Confident133 Ų133110.2 Ų110.258%0.57852%0.518SS*.Hα-helixtrans-75.6-17.5177.378-163.7178.565.60113.6S106 L107S106-K110 VanDerWaalsContact O-CB 3.28Å; S106-K110 WeakPolarHBondContact O-CB 3.45Å; S106-K110 WeakPolarHBondContact O-CD 3.49Å; S106-K110 WeakPolarHBondContact O-CG 3.11Å; S106-K110 PolarHBondContact O-N 3.22Å; L107-K110 HydrophobicContact CD1-CD 4.41Å; L107-K110 HydrophobicContact CD1-CG 4.49Å; L107-K110 WeakPolarHBondContact O-CG 3.07Å
111N76.8Confident75.7Confident27 Ų27113.3 Ų113.314%0.14453%0.529CS..Hα-helixtrans-100.1-5.1180-73.6-27.8000113.6L107 M108 K109 D113 W114 I115L107-N111 WeakPolarHBondContact CD1-ND2 3.42Å; L107-N111 VanDerWaalsContact CG-ND2 3.28Å; L107-N111 WeakPolarHBondContact CG-ND2 3Å; L107-N111 WeakPolarHBondContact O-CB 3.44Å; L107-N111 PolarHBondContact O-N 2.83Å; L107-N111 PolarHBondContact O-ND2 3.35Å; M108-N111 PolarHBondContact O-N 3.34Å; K109-N111 VanDerWaalsContact C-N 3.28Å; K109-N111 PolarHBondContact O-N 3.48Å; N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 2.89Å; N111-W114 VanDerWaalsContact CA-CD1 3.43Å; N111-W114 VanDerWaalsContact CA-NE1 3.26Å; N111-W114 HydrophobicContact CB-CZ2 4.01Å; N111-W114 PolarHBondContact O-N 3.3Å; N111-W114 PolarHBondContact O-NE1 3.49Å; N111-W114 PolarHBondContact OD1-NE1 2.99Å; N111-I115 HydrophobicContact CB-CD1 3.67Å; N111-I115 HydrophobicContact CB-CG1 4.24Å; N111-I115 WeakPolarHBondContact O-CB 3.46Å; N111-I115 WeakPolarHBondContact O-CD1 3.28Å; N111-I115 WeakPolarHBondContact O-CG1 3.17Å; N111-I115 PolarHBondContact O-N 3.48Å
112A77.7Confident75Confident45 Ų45109.4 Ų109.437%0.37253%0.53SS..Hα-helixtrans-55.7-41.4-172.900000112.3M108 I115 W116M108-A112 PolarHBondContact O-N 3Å; A112-I115 PolarHBondContact O-N 3.42Å; A112-W116 WeakPolarHBondContact O-CB 3.46Å; A112-W116 PolarHBondContact O-N 2.65Å
113D76.4Confident74Confident128 Ų128109.7 Ų109.768%0.68454%0.539SS*.Hα-helixtrans-65.6-44.5-176.3-59.4-26.2000112.5N111 D117N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 2.89Å; D113-D117 PolarHBondContact O-N 2.91Å
114W76.6Confident73Confident96 Ų96111.2 Ų111.236%0.36455%0.55SS.*Hα-helixtrans-76.5-33.2177.974.6-96.3000112.5N111 W116 D117 W118N111-W114 VanDerWaalsContact CA-CD1 3.43Å; N111-W114 VanDerWaalsContact CA-NE1 3.26Å; N111-W114 HydrophobicContact CB-CZ2 4.01Å; N111-W114 PolarHBondContact O-N 3.3Å; N111-W114 PolarHBondContact O-NE1 3.49Å; N111-W114 PolarHBondContact OD1-NE1 2.99Å; W114-W116 VanDerWaalsContact C-N 3.27Å; W114-W116 PolarHBondContact O-N 3.48Å; W114-D117 PolarHBondContact O-N 3.2Å; W114-W118 HydrophobicContact CE3-CD2 4.15Å; W114-W118 AromaticContact CE3-CE2 4Å; W114-W118 HydrophobicContact CE3-CG 4.23Å; W114-W118 AromaticContact CE3-NE1 3.96Å; W114-W118 HydrophobicContact CZ3-CD2 4.19Å; W114-W118 HydrophobicContact CZ3-CE3 4.4Å; W114-W118 PolarHBondContact O-N 3.37Å; W114-W118 VanDerWaalsContact O-N 3.11Å
115I79.3Confident72.1Confident74 Ų74112.2 Ų112.238%0.37956%0.56SS.*Hα-helixtrans-62.4-43.1174.8-67.9167.6000109.1N111 A112 W118 S119N111-I115 HydrophobicContact CB-CD1 3.67Å; N111-I115 HydrophobicContact CB-CG1 4.24Å; N111-I115 WeakPolarHBondContact O-CB 3.46Å; N111-I115 WeakPolarHBondContact O-CD1 3.28Å; N111-I115 WeakPolarHBondContact O-CG1 3.17Å; N111-I115 PolarHBondContact O-N 3.48Å; A112-I115 PolarHBondContact O-N 3.42Å; I115-W118 PolarHBondContact O-N 3.37Å; I115-S119 PolarHBondContact O-N 3.11Å; I115-S119 PolarHBondContact O-OG 3Å
116W75.1Confident71.2Confident176 Ų176108.5 Ų108.567%0.66755%0.547SS*.Hα-helixtrans-65.4-41.9177-170.4-105.7000112.2A112 W114 W118 S119 S120A112-W116 WeakPolarHBondContact O-CB 3.46Å; A112-W116 PolarHBondContact O-N 2.65Å; W114-W116 VanDerWaalsContact C-N 3.27Å; W114-W116 PolarHBondContact O-N 3.48Å; W116-W118 PolarHBondContact O-N 2.94Å; W116-S119 PolarHBondContact O-N 2.8Å; W116-S119 PolarHBondContact O-OG 3.12Å; W116-S120 WeakPolarHBondContact O-CB 3.5Å; W116-S120 PolarHBondContact O-N 3.44Å; W116-S120 PolarHBondContact O-OG 3.08Å
117D75Confident70.4Confident98 Ų98109.9 Ų109.952%0.52456%0.555SS.*Hα-helixtrans-63.6-19.4173.9-78.2-13000113.7D113 W114 R121D113-D117 PolarHBondContact O-N 2.91Å; W114-D117 PolarHBondContact O-N 3.2Å; D117-R121 WeakPolarHBondContact O-CG 3.45Å; D117-R121 PolarHBondContact O-NE 2.74Å
118W73Confident69.5Low185 Ų185117.2 Ų117.270%0.70159%0.585SS**Hα-helixtrans-90-40.4175.6-75.941.4000111.9W114 I115 W116W114-W118 HydrophobicContact CE3-CD2 4.15Å; W114-W118 AromaticContact CE3-CE2 4Å; W114-W118 HydrophobicContact CE3-CG 4.23Å; W114-W118 AromaticContact CE3-NE1 3.96Å; W114-W118 HydrophobicContact CZ3-CD2 4.19Å; W114-W118 HydrophobicContact CZ3-CE3 4.4Å; W114-W118 PolarHBondContact O-N 3.37Å; W114-W118 VanDerWaalsContact O-N 3.11Å; I115-W118 PolarHBondContact O-N 3.37Å; W116-W118 PolarHBondContact O-N 2.94Å
119S68.3Low68.7Low78 Ų78118.6 Ų118.655%0.54559%0.59SS.*Hα-helixtrans-79-24178.765.40000113.6I115 W116I115-S119 PolarHBondContact O-N 3.11Å; I115-S119 PolarHBondContact O-OG 3Å; W116-S119 PolarHBondContact O-N 2.8Å; W116-S119 PolarHBondContact O-OG 3.12Å
120S63.7Low67.8Low59 Ų59117.6 Ų117.641%0.41359%0.586SS.*SBendtrans-85.7-7.1-176.362.50000113.9W116 P122W116-S120 WeakPolarHBondContact O-CB 3.5Å; W116-S120 PolarHBondContact O-N 3.44Å; W116-S120 PolarHBondContact O-OG 3.08Å; S120-P122 VanDerWaalsContact O-CD 3.3Å; S120-P122 WeakPolarHBondContact O-CD 3.47Å; S120-P122 VanDerWaalsContact O-N 3.12Å
121R73.4Confident67Low184 Ų184118 Ų11869%0.69459%0.593SS**SBendtrans-63.1118.3172-66.7-174.8-177.6-115.5-2.3106.9D117 E123D117-R121 WeakPolarHBondContact O-CG 3.45Å; D117-R121 PolarHBondContact O-NE 2.74Å; R121-E123 PolarHBondContact O-N 3.06Å
122P61.4Low66Low120 Ų120123.7 Ų123.778%0.77962%0.623SS**  trans-54.3125.9173.423-31.1000106.3S120 N124S120-P122 VanDerWaalsContact O-CD 3.3Å; S120-P122 WeakPolarHBondContact O-CD 3.47Å; S120-P122 VanDerWaalsContact O-N 3.12Å; P122-N124 PolarHBondContact O-N 3.2Å
123E60.6Low65Low178 Ų178130.5 Ų130.583%0.83265%0.645SS**  trans-28108.7178.6-172.9176.5171.100108.9R121 S125R121-E123 PolarHBondContact O-N 3.06Å; E123-S125 PolarHBondContact O-N 3.48Å
124N57.7Low63.9Low139 Ų139128.8 Ų128.874%0.74364%0.635SS**  trans-66.379.8175174.627.4000105.5P122 P126P122-N124 PolarHBondContact O-N 3.2Å; N124-P126 VanDerWaalsContact C-N 3.31Å; N124-P126 WeakPolarHBondContact O-CD 3.5Å
125S56.8Low62.7Low91 Ų91129.8 Ų129.864%0.63665%0.654SS**  trans-59.5103.8163.954.90000103.5E123E123-S125 PolarHBondContact O-N 3.48Å
126P60.9Low61.5Low54 Ų54136.1 Ų136.135%0.35168%0.679SS.*  trans-55.2142.2173.526.3-33.1000106.2N124 K128 F130N124-P126 VanDerWaalsContact C-N 3.31Å; N124-P126 WeakPolarHBondContact O-CD 3.5Å; P126-K128 PolarHBondContact O-N 3.15Å; P126-F130 HydrophobicContact CB-CD2 3.96Å; P126-F130 HydrophobicContact CB-CE1 4.05Å; P126-F130 HydrophobicContact CB-CE2 3.04Å; P126-F130 HydrophobicContact CB-CZ 3.1Å; P126-F130 HydrophobicContact CG-CD2 4.4Å; P126-F130 HydrophobicContact CG-CE2 3.62Å; P126-F130 HydrophobicContact CG-CZ 4.15Å
127P61.5Low60.7Low98 Ų98139.3 Ų139.364%0.63669%0.691SS**  trans-46.6115.2172.714.5-25.7000107.3E129 F130P127-E129 CarbonylContact O-C 3.56Å; P127-E129 PolarHBondContact O-N 2.85Å; P127-E129 VanDerWaalsContact O-N 3.14Å; P127-F130 PolarHBondContact O-N 2.86Å
128K59.2Low59.5Low197 Ų197139.4 Ų139.486%0.85770%0.699SS**SBendtrans-50.4127.8175.8-94.4173.5176.6172.20104.6P126P126-K128 PolarHBondContact O-N 3.15Å
129E59.6Low58.5Low159 Ų159136.2 Ų136.274%0.74370%0.7SS**  trans84.366.6-167.9-42.7171.8-127.500113.7P127 L131P127-E129 CarbonylContact O-C 3.56Å; P127-E129 PolarHBondContact O-N 2.85Å; P127-E129 VanDerWaalsContact O-N 3.14Å; E129-L131 HydrophobicContact CB-CG 4.24Å; E129-L131 PolarHBondContact O-N 3.48Å
130F56.2Low57.6Low150 Ų150137.4 Ų137.466%0.65871%0.709SS**  trans-61.381.8145.9-71-61.1000108.5P126 P127 L132P126-F130 HydrophobicContact CB-CD2 3.96Å; P126-F130 HydrophobicContact CB-CE1 4.05Å; P126-F130 HydrophobicContact CB-CE2 3.04Å; P126-F130 HydrophobicContact CB-CZ 3.1Å; P126-F130 HydrophobicContact CG-CD2 4.4Å; P126-F130 HydrophobicContact CG-CE2 3.62Å; P126-F130 HydrophobicContact CG-CZ 4.15Å; P127-F130 PolarHBondContact O-N 2.86Å; F130-L132 PolarHBondContact O-N 2.77Å
131L58.8Low57.1Low141 Ų141141.5 Ų141.574%0.73873%0.725SS**  trans-67.578.7164-71.2172.3000106.9E129 K133E129-L131 HydrophobicContact CB-CG 4.24Å; E129-L131 PolarHBondContact O-N 3.48Å; L131-K133 PolarHBondContact O-N 3.42Å
132L54.9Low56.1Low148 Ų148136.3 Ų136.378%0.77572%0.717SS**  trans-63.277161.4-74.3168.3000106.6F130 N134F130-L132 PolarHBondContact O-N 2.77Å; L132-N134 PolarHBondContact O-N 3.13Å
133K56.5Low55.6Low188 Ų188137 Ų13782%0.81771%0.713SS**  trans-70.984.2170.9-170.5176.6176.4-178.20105.5L131 P135L131-K133 PolarHBondContact O-N 3.42Å; K133-P135 VanDerWaalsContact O-CD 3.26Å; K133-P135 WeakPolarHBondContact O-CD 3.49Å
134N53.5Low55.6Low92 Ų92138.9 Ų138.949%0.49271%0.712SS.*  trans-52118.1170.1-83.211.3000106.7L132 K136L132-N134 PolarHBondContact O-N 3.13Å; N134-K136 PolarHBondContact O-N 2.99Å
135P51.1Low55.3Low116 Ų116139.5 Ų139.575%0.75372%0.716SS**  trans-56.4114.4172.619.1-27.1000106.6K133 R137K133-P135 VanDerWaalsContact O-CD 3.26Å; K133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-R137 PolarHBondContact O-N 3.35Å
136K54.2Low55Low207 Ų207138.3 Ų138.390%0.971%0.705SS**  trans-51.2104.3178.3-81.9178.8170.8178.80107.4N134 S138N134-K136 PolarHBondContact O-N 2.99Å; K136-S138 PolarHBondContact O-N 3.34Å
137R59.4Low54.7Low243 Ų243140.9 Ų140.992%0.91772%0.724SS**  trans16.973.3169.2-70.8-170.7-103.3124.9-8.5113.3P135P135-R137 PolarHBondContact O-N 3.35Å
138S48.1Very low54.4Low101 Ų101142.1 Ų142.171%0.70673%0.729SS**  trans-90.2106.9146.7-169.20000104K136 S140K136-S138 PolarHBondContact O-N 3.34Å; S138-S140 PolarHBondContact O-N 3.01Å
139T53.5Low54Low117 Ų117139.7 Ų139.772%0.71872%0.723SS**  trans-42.697.3163.342.80000107.6L141T139-L141 PolarHBondContact O-N 2.9Å
140S49.7Very low53.9Low104 Ų104141.6 Ų141.673%0.72773%0.729SS**  trans-69.583.9170.8-172.60000105S138 S142S138-S140 PolarHBondContact O-N 3.01Å; S140-S142 PolarHBondContact O-N 2.87Å
141L51.8Low54.1Low145 Ų145144.1 Ų144.176%0.75974%0.739SS**  trans-55.2106.2155.5-71176.5000104.4T139 I143T139-L141 PolarHBondContact O-N 2.9Å; L141-I143 PolarHBondContact O-N 3.48Å
142S52.6Low53.9Low74 Ų74140 Ų14052%0.51773%0.731SS.*  trans-58.7100.1-178.9177.60000108.5S140 R144S140-S142 PolarHBondContact O-N 2.87Å; S142-R144 PolarHBondContact O-N 3.42Å; S142-R144 WeakPolarHBondContact OG-CB 3.37Å; S142-R144 PolarHBondContact OG-N 3.01Å
143I51.2Low54.4Low135 Ų135136.6 Ų136.669%0.69273%0.731SS**G310 helixtrans-70.916.1165.3-56.9167.5000109.6L141 N145L141-I143 PolarHBondContact O-N 3.48Å; I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 3.44Å
144R59.8Low54.6Low217 Ų217133.5 Ų133.582%0.81972%0.723SS**G310 helixtrans-87.714.6175.1-62.4-171.2167.5101.3-3.9113.8S142S142-R144 PolarHBondContact O-N 3.42Å; S142-R144 WeakPolarHBondContact OG-CB 3.37Å; S142-R144 PolarHBondContact OG-N 3.01Å
145N53.1Low54.9Low153 Ų153135.1 Ų135.182%0.81873%0.731SS**G310 helixtrans-133.216.3172-91.5-23.3000115.2I143 S147I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 3.44Å; N145-S147 PolarHBondContact O-N 3.48Å
146T50.5Low55.6Low66 Ų66132.9 Ų132.941%0.40572%0.718SS.*  trans-9980.3168.164.20000109.7V148 M149T146-V148 PolarHBondContact O-N 3.39Å; T146-M149 PolarHBondContact O-N 2.87Å
147S54Low56.5Low107 Ų107126.8 Ų126.875%0.74871%0.706SS**THydrogen-bonded Turntrans-66.813.1175.471.70000114.2N145N145-S147 PolarHBondContact O-N 3.48Å
148V55.8Low57.3Low124 Ų124120.8 Ų120.875%0.75269%0.692SS**THydrogen-bonded Turntrans-94.9-18.3178.7-139.80000112.1T146T146-V148 PolarHBondContact O-N 3.39Å
149M50.9Low58.6Low147 Ų147120.4 Ų120.472%0.72468%0.678SS**SBendtrans-93.4-13.3-178.6-60.8174.373.300113.6T146T146-M149 PolarHBondContact O-N 2.87Å
150K56.5Low60Low199 Ų199118.2 Ų118.287%0.86566%0.661SS**SBendtrans-96.2-6.4-174.6-75.4-173.5158.7-171.70114.9
151K61.2Low61.6Low202 Ų202121.2 Ų121.288%0.87866%0.661SS**SBendtrans-130.532.1-173.6-157.8155.3-179.2-178.60115
152G53.7Low63.2Low55 Ų55120.1 Ų120.157%0.56766%0.655SS**  trans17572.9174.600000113I154G152-I154 PolarHBondContact O-N 3.32Å
153G65.4Low64.9Low76 Ų76120.8 Ų120.878%0.78465%0.649SS**  trans-68.9115.6166.600000110.2
154I60.7Low66.7Low123 Ų123118.9 Ų118.963%0.63164%0.64SS**  trans-157.519.9148.447.2157.9000111.8G152 S156 F159G152-I154 PolarHBondContact O-N 3.32Å; I154-S156 PolarHBondContact O-N 2.86Å; I154-F159 HydrophobicContact CD1-CD1 4.41Å; I154-F159 HydrophobicContact CD1-CE1 3.86Å; I154-F159 HydrophobicContact CD1-CZ 4.37Å
155L60.1Low68.3Low127 Ų127111.3 Ų111.367%0.66562%0.619SS**  trans-79.967.7177.9-60.4-176.7000110.6L160L155-L160 HydrophobicContact CD2-CD1 4.22Å
156S66.5Low70.2Confident68 Ų68106.8 Ų106.848%0.47660%0.599SS.*  trans-62.6135.5152.7-176.90000107.5I154 D158 F159 L160I154-S156 PolarHBondContact O-N 2.86Å; S156-D158 PolarHBondContact O-N 3.34Å; S156-D158 VanDerWaalsContact O-N 3.15Å; S156-F159 PolarHBondContact O-N 3.46Å; S156-L160 PolarHBondContact O-N 3.34Å
157A73Confident72.2Confident79 Ų79106.7 Ų106.765%0.65360%0.595SS**Hα-helixtrans-55.2-33.6179.600000111.7K161A157-K161 PolarHBondContact O-N 3.16Å; A157-K161 VanDerWaalsContact O-N 3.15Å
158D75.6Confident74.2Confident118 Ų118106.2 Ų106.263%0.63158%0.584SS**Hα-helixtrans-72.2-34.8177.2-61.2-39.1000112.7S156 K161S156-D158 PolarHBondContact O-N 3.34Å; S156-D158 VanDerWaalsContact O-N 3.15Å; D158-K161 PolarHBondContact O-N 2.97Å
159F75.1Confident76.1Confident93 Ų93104.9 Ų104.941%0.40857%0.571SS.*Hα-helixtrans-70-41.1174.9-170.4-101.3000110.7I154 S156 K161 I162 F163I154-F159 HydrophobicContact CD1-CD1 4.41Å; I154-F159 HydrophobicContact CD1-CE1 3.86Å; I154-F159 HydrophobicContact CD1-CZ 4.37Å; S156-F159 PolarHBondContact O-N 3.46Å; F159-K161 VanDerWaalsContact C-N 3.26Å; F159-K161 PolarHBondContact O-N 3.15Å; F159-I162 PolarHBondContact O-N 3.15Å; F159-I162 VanDerWaalsContact O-N 3.16Å; F159-F163 HydrophobicContact CD1-CB 4.07Å; F159-F163 HydrophobicContact CD1-CG 4.45Å; F159-F163 HydrophobicContact CE1-CB 3.99Å; F159-F163 AromaticContact CE1-CD2 3.83Å; F159-F163 HydrophobicContact CE1-CD2 3.83Å; F159-F163 AromaticContact CE1-CG 3.99Å; F159-F163 HydrophobicContact CE1-CG 3.99Å; F159-F163 HydrophobicContact CZ-CD2 4.18Å; F159-F163 WeakPolarHBondContact O-CB 3.32Å; F159-F163 PolarHBondContact O-N 3.43Å
160L82.5Confident78.3Confident71 Ų71100.6 Ų100.637%0.37256%0.556SS.*Hα-helixtrans-61.9-35.1176.7-173.661.1000111.9L155 S156 I162 F163 L164L155-L160 HydrophobicContact CD2-CD1 4.22Å; S156-L160 PolarHBondContact O-N 3.34Å; L160-I162 VanDerWaalsContact C-N 3.26Å; L160-I162 PolarHBondContact O-N 2.98Å; L160-F163 PolarHBondContact O-N 2.77Å; L160-L164 WeakPolarHBondContact O-CB 3.47Å; L160-L164 PolarHBondContact O-N 3.43Å
161K82.8Confident80.2Confident166 Ų16696.6 Ų96.672%0.72254%0.54SS*.Hα-helixtrans-63-30.4177-173.7175.9173.9-178.20113.3A157 D158 F159 P165A157-K161 PolarHBondContact O-N 3.16Å; A157-K161 VanDerWaalsContact O-N 3.15Å; D158-K161 PolarHBondContact O-N 2.97Å; F159-K161 VanDerWaalsContact C-N 3.26Å; F159-K161 PolarHBondContact O-N 3.15Å; K161-P165 WeakPolarHBondContact O-CD 3.16Å; K161-P165 VanDerWaalsContact O-CG 3.24Å; K161-P165 WeakPolarHBondContact O-CG 3.46Å
162I86.8Confident81.9Confident123 Ų12392.4 Ų92.463%0.63153%0.526SS*.Hα-helixtrans-95.6-33.4178.7-57.3163.1000110.6F159 L160 P165 S166F159-I162 PolarHBondContact O-N 3.15Å; F159-I162 VanDerWaalsContact O-N 3.16Å; L160-I162 VanDerWaalsContact C-N 3.26Å; L160-I162 PolarHBondContact O-N 2.98Å; I162-P165 WeakPolarHBondContact O-CD 3.09Å; I162-P165 WeakPolarHBondContact O-CG 3.03Å; I162-S166 WeakPolarHBondContact O-CB 3.31Å; I162-S166 PolarHBondContact O-N 3.27Å; I162-S166 PolarHBondContact O-OG 3.38Å
163F87.4Confident84Confident87 Ų8795.4 Ų95.438%0.38253%0.528SS..Hα-helixtrans-71.3-40-179.9-173.2-105000112.2F159 L160 S166 L167F159-F163 HydrophobicContact CD1-CB 4.07Å; F159-F163 HydrophobicContact CD1-CG 4.45Å; F159-F163 HydrophobicContact CE1-CB 3.99Å; F159-F163 AromaticContact CE1-CD2 3.83Å; F159-F163 HydrophobicContact CE1-CD2 3.83Å; F159-F163 AromaticContact CE1-CG 3.99Å; F159-F163 HydrophobicContact CE1-CG 3.99Å; F159-F163 HydrophobicContact CZ-CD2 4.18Å; F159-F163 WeakPolarHBondContact O-CB 3.32Å; F159-F163 PolarHBondContact O-N 3.43Å; L160-F163 PolarHBondContact O-N 2.77Å; F163-S166 VanDerWaalsContact CA-OG 3.26Å; F163-S166 WeakPolarHBondContact CA-OG 3.37Å; F163-S166 PolarHBondContact O-N 2.83Å; F163-S166 PolarHBondContact O-OG 2.9Å; F163-L167 HydrophobicContact CE1-CD1 4.4Å; F163-L167 HydrophobicContact CE1-CD2 4.26Å; F163-L167 HydrophobicContact CZ-CD1 4.2Å; F163-L167 WeakPolarHBondContact O-CB 3.18Å; F163-L167 PolarHBondContact O-N 3.26Å
164L89.9Confident85.5Confident96 Ų9694.7 Ų94.750%0.50352%0.515SS..Hα-helixtrans-63.1-49.7-178.8-164.569.3000113.1L160 L167 I168L160-L164 WeakPolarHBondContact O-CB 3.47Å; L160-L164 PolarHBondContact O-N 3.43Å; L164-L167 PolarHBondContact O-N 3.18Å; L164-I168 WeakPolarHBondContact O-CD1 2.99Å; L164-I168 VanDerWaalsContact O-CG1 3.32Å; L164-I168 WeakPolarHBondContact O-CG1 3.5Å; L164-I168 PolarHBondContact O-N 2.99Å
165P92.8Very high87.2Confident58 Ų5893.1 Ų93.138%0.37751%0.511SS..Hα-helixtrans-64.7-44.217424.1-32.1000111.6K161 I162 L167 I168 I169K161-P165 WeakPolarHBondContact O-CD 3.16Å; K161-P165 VanDerWaalsContact O-CG 3.24Å; K161-P165 WeakPolarHBondContact O-CG 3.46Å; I162-P165 WeakPolarHBondContact O-CD 3.09Å; I162-P165 WeakPolarHBondContact O-CG 3.03Å; P165-L167 VanDerWaalsContact C-N 3.28Å; P165-L167 PolarHBondContact O-N 3.3Å; P165-I168 PolarHBondContact O-N 3.46Å; P165-I168 VanDerWaalsContact O-N 3.09Å; P165-I169 HydrophobicContact CB-CD1 4.37Å; P165-I169 WeakPolarHBondContact O-CD1 3.26Å; P165-I169 PolarHBondContact O-N 3.09Å
166S93.1Very high88.9Confident57 Ų5789 Ų8940%0.39950%0.499SS..Hα-helixtrans-61.2-35179.353.70000113.2I162 F163 I169 S170I162-S166 WeakPolarHBondContact O-CB 3.31Å; I162-S166 PolarHBondContact O-N 3.27Å; I162-S166 PolarHBondContact O-OG 3.38Å; F163-S166 VanDerWaalsContact CA-OG 3.26Å; F163-S166 WeakPolarHBondContact CA-OG 3.37Å; F163-S166 PolarHBondContact O-N 2.83Å; F163-S166 PolarHBondContact O-OG 2.9Å; S166-I169 PolarHBondContact O-N 3.22Å; S166-S170 WeakPolarHBondContact O-CB 3.48Å; S166-S170 PolarHBondContact O-N 2.89Å; S166-S170 PolarHBondContact O-OG 3.49Å
167L92.8Very high90.3Very high65 Ų6590.8 Ų90.834%0.3450%0.503SS..Hα-helixtrans-64.8-40174-17373.4000112.4F163 L164 P165 S170 H171F163-L167 HydrophobicContact CE1-CD1 4.4Å; F163-L167 HydrophobicContact CE1-CD2 4.26Å; F163-L167 HydrophobicContact CZ-CD1 4.2Å; F163-L167 WeakPolarHBondContact O-CB 3.18Å; F163-L167 PolarHBondContact O-N 3.26Å; L164-L167 PolarHBondContact O-N 3.18Å; P165-L167 VanDerWaalsContact C-N 3.28Å; P165-L167 PolarHBondContact O-N 3.3Å; L167-S170 PolarHBondContact O-OG 3.02Å; L167-H171 PolarHBondContact O-N 2.83Å; L167-H171 PolarHBondContact O-ND1 2.77Å
168I95.7Very high91.4Very high97 Ų9789.1 Ų89.150%0.49749%0.493SS..Hα-helixtrans-66.1-46.8177-65.5162.7000109.8L164 P165 S170 H171 I172L164-I168 WeakPolarHBondContact O-CD1 2.99Å; L164-I168 VanDerWaalsContact O-CG1 3.32Å; L164-I168 WeakPolarHBondContact O-CG1 3.5Å; L164-I168 PolarHBondContact O-N 2.99Å; P165-I168 PolarHBondContact O-N 3.46Å; P165-I168 VanDerWaalsContact O-N 3.09Å; I168-S170 VanDerWaalsContact C-N 3.34Å; I168-S170 PolarHBondContact O-N 3.43Å; I168-H171 PolarHBondContact O-N 3.47Å; I168-I172 HydrophobicContact CG2-CD1 3.9Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 3.3Å
169I96.2Very high92.2Very high96 Ų9688.2 Ų88.249%0.49249%0.487SS..Hα-helixtrans-59.9-43.6177.3-76.9113.2000111.4P165 S166 H171 I172 L173P165-I169 HydrophobicContact CB-CD1 4.37Å; P165-I169 WeakPolarHBondContact O-CD1 3.26Å; P165-I169 PolarHBondContact O-N 3.09Å; S166-I169 PolarHBondContact O-N 3.22Å; I169-H171 VanDerWaalsContact C-N 3.3Å; I169-H171 PolarHBondContact O-N 3.28Å; I169-I172 PolarHBondContact O-N 3.44Å; I169-L173 HydrophobicContact CG2-CD1 4.01Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 3.24Å; I169-L173 PolarHBondContact O-N 3.48Å
170S96.9Very high93.1Very high57 Ų5790 Ų9040%0.39950%0.495SS..Hα-helixtrans-62.9-37.5179.670.70000112.3S166 L167 I168 L173 A174S166-S170 WeakPolarHBondContact O-CB 3.48Å; S166-S170 PolarHBondContact O-N 2.89Å; S166-S170 PolarHBondContact O-OG 3.49Å; L167-S170 PolarHBondContact O-OG 3.02Å; I168-S170 VanDerWaalsContact C-N 3.34Å; I168-S170 PolarHBondContact O-N 3.43Å; S170-L173 PolarHBondContact O-N 2.89Å; S170-A174 WeakPolarHBondContact O-CB 3.3Å; S170-A174 PolarHBondContact O-N 2.89Å
171H96.4Very high93.6Very high114 Ų11490.1 Ų90.153%0.52850%0.495SS..Hα-helixtrans-69.2-41.6176.1-80.470.9000112.6L167 I168 I169 L173 A174 V175L167-H171 PolarHBondContact O-N 2.83Å; L167-H171 PolarHBondContact O-ND1 2.77Å; I168-H171 PolarHBondContact O-N 3.47Å; I169-H171 VanDerWaalsContact C-N 3.3Å; I169-H171 PolarHBondContact O-N 3.28Å; H171-L173 VanDerWaalsContact C-N 3.29Å; H171-L173 PolarHBondContact O-N 2.94Å; H171-A174 PolarHBondContact O-N 2.97Å; H171-V175 WeakPolarHBondContact O-CB 3.21Å; H171-V175 VanDerWaalsContact O-CG2 3.31Å; H171-V175 WeakPolarHBondContact O-CG2 3.35Å; H171-V175 PolarHBondContact O-N 3.41Å
172I97.1Very high94Very high114 Ų11483.7 Ų83.759%0.58548%0.476SS*.Hα-helixtrans-59.9-44.2175.8-67.5168.3000110.1I168 I169 G176I168-I172 HydrophobicContact CG2-CD1 3.9Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 3.3Å; I169-I172 PolarHBondContact O-N 3.44Å; I172-G176 PolarHBondContact O-N 3.44Å
173L96.7Very high94Very high118 Ų11884.9 Ų84.962%0.61848%0.477SS*.Hα-helixtrans-64.9-43.1176.7-70.5174000112.1I169 S170 H171 G176 L177I169-L173 HydrophobicContact CG2-CD1 4.01Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 3.24Å; I169-L173 PolarHBondContact O-N 3.48Å; S170-L173 PolarHBondContact O-N 2.89Å; H171-L173 VanDerWaalsContact C-N 3.29Å; H171-L173 PolarHBondContact O-N 2.94Å; L173-G176 PolarHBondContact O-N 2.8Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 2.91Å
174A97.1Very high94Very high62 Ų6289 Ų8951%0.51249%0.489SS..Hα-helixtrans-62-4517800000111.9S170 H171 L177 G178S170-A174 WeakPolarHBondContact O-CB 3.3Å; S170-A174 PolarHBondContact O-N 2.89Å; H171-A174 PolarHBondContact O-N 2.97Å; A174-L177 PolarHBondContact O-N 3.5Å; A174-G178 PolarHBondContact O-N 3.38Å
175V96.6Very high93.8Very high90 Ų9089 Ų8955%0.54549%0.489SS..Hα-helixtrans-65.5-45.9176.2173.60000110.7H171 L177 G178 I179H171-V175 WeakPolarHBondContact O-CB 3.21Å; H171-V175 VanDerWaalsContact O-CG2 3.31Å; H171-V175 WeakPolarHBondContact O-CG2 3.35Å; H171-V175 PolarHBondContact O-N 3.41Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.86Å; V175-G178 PolarHBondContact O-N 2.91Å; V175-I179 HydrophobicContact CG1-CD1 3.81Å; V175-I179 HydrophobicContact CG1-CG1 4.49Å; V175-I179 VanDerWaalsContact O-CG1 3.3Å; V175-I179 WeakPolarHBondContact O-CG1 3.24Å; V175-I179 PolarHBondContact O-N 3.47Å
176G95.3Very high93.2Very high39 Ų3991 Ų9140%0.40250%0.501SS..Hα-helixtrans-60.4-42.3177.400000112.7I172 L173 I179 F180I172-G176 PolarHBondContact O-N 3.44Å; L173-G176 PolarHBondContact O-N 2.8Å; G176-I179 PolarHBondContact O-N 3Å; G176-F180 VanDerWaalsContact O-CB 3.32Å; G176-F180 WeakPolarHBondContact O-CB 3.35Å; G176-F180 PolarHBondContact O-N 2.9Å
177L96Very high92.2Very high107 Ų10791.4 Ų91.456%0.5650%0.504SS*.Hα-helixtrans-67.5-41.1176.1-172.963.6000111.5L173 A174 V175 I179 F180 I181L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 2.91Å; A174-L177 PolarHBondContact O-N 3.5Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.86Å; L177-I179 VanDerWaalsContact C-N 3.35Å; L177-I179 PolarHBondContact O-N 3.19Å; L177-F180 HydrophobicContact CD1-CD1 4.47Å; L177-F180 PolarHBondContact O-N 3.33Å; L177-I181 HydrophobicContact CD1-CD1 3.67Å; L177-I181 HydrophobicContact CG-CD1 4.08Å; L177-I181 WeakPolarHBondContact O-CB 3.4Å; L177-I181 WeakPolarHBondContact O-CD1 3.39Å; L177-I181 PolarHBondContact O-N 3.17Å
178G95.7Very high90.8Very high44 Ų4493.5 Ų93.545%0.45451%0.512SS..Hα-helixtrans-60.1-43.3174.600000112.4A174 V175 G182A174-G178 PolarHBondContact O-N 3.38Å; V175-G178 PolarHBondContact O-N 2.91Å; G178-G182 PolarHBondContact O-N 3.28Å
179I94.3Very high89.2Confident98 Ų9895.1 Ų95.150%0.50352%0.522SS..Hα-helixtrans-67.3-41.4174.9-64.8165000110.7V175 G176 L177 G182 K183V175-I179 HydrophobicContact CG1-CD1 3.81Å; V175-I179 HydrophobicContact CG1-CG1 4.49Å; V175-I179 VanDerWaalsContact O-CG1 3.3Å; V175-I179 WeakPolarHBondContact O-CG1 3.24Å; V175-I179 PolarHBondContact O-N 3.47Å; G176-I179 PolarHBondContact O-N 3Å; L177-I179 VanDerWaalsContact C-N 3.35Å; L177-I179 PolarHBondContact O-N 3.19Å; I179-G182 PolarHBondContact O-N 2.85Å; I179-K183 HydrophobicContact CG2-CD 3.87Å; I179-K183 HydrophobicContact CG2-CG 4.27Å; I179-K183 WeakPolarHBondContact O-CB 3.48Å; I179-K183 VanDerWaalsContact O-CG 3.28Å; I179-K183 WeakPolarHBondContact O-CG 3.32Å; I179-K183 PolarHBondContact O-N 2.87Å
180F93.8Very high87.4Confident131 Ų13195.8 Ų95.858%0.57553%0.53SS*.Hα-helixtrans-62.6-47.3178.6179-107.2000111.9G176 L177 K183 R184G176-F180 VanDerWaalsContact O-CB 3.32Å; G176-F180 WeakPolarHBondContact O-CB 3.35Å; G176-F180 PolarHBondContact O-N 2.9Å; L177-F180 HydrophobicContact CD1-CD1 4.47Å; L177-F180 PolarHBondContact O-N 3.33Å; F180-K183 PolarHBondContact O-N 3.24Å; F180-R184 WeakPolarHBondContact O-CB 3.28Å; F180-R184 PolarHBondContact O-N 2.73Å
181I92.9Very high85.1Confident73 Ų73106.2 Ų106.237%0.37456%0.563SS.*Hα-helixtrans-61.5-46.6172.4-92.264.1000109.9L177 K183 R184 L185L177-I181 HydrophobicContact CD1-CD1 3.67Å; L177-I181 HydrophobicContact CG-CD1 4.08Å; L177-I181 WeakPolarHBondContact O-CB 3.4Å; L177-I181 WeakPolarHBondContact O-CD1 3.39Å; L177-I181 PolarHBondContact O-N 3.17Å; I181-K183 VanDerWaalsContact C-N 3.33Å; I181-K183 PolarHBondContact O-N 3.35Å; I181-R184 CarbonylContact O-C 3.56Å; I181-R184 PolarHBondContact O-N 3.47Å; I181-L185 HydrophobicContact CG2-CD1 3.62Å; I181-L185 HydrophobicContact CG2-CG 4.04Å; I181-L185 WeakPolarHBondContact O-CB 3.42Å; I181-L185 VanDerWaalsContact O-CG 3.24Å; I181-L185 WeakPolarHBondContact O-CG 3.5Å; I181-L185 PolarHBondContact O-N 2.84Å
182G90.4Very high84.6Confident31 Ų31105.8 Ų105.832%0.3256%0.564SS.*Hα-helixtrans-59.7-40.6-179.900000113.4G178 I179 L185 T186G178-G182 PolarHBondContact O-N 3.28Å; I179-G182 PolarHBondContact O-N 2.85Å; G182-L185 PolarHBondContact O-N 2.84Å; G182-T186 PolarHBondContact O-N 2.97Å; G182-T186 PolarHBondContact O-OG1 3.28Å
183K86.4Confident83.9Confident149 Ų149105.4 Ų105.465%0.64856%0.563SS**Hα-helixtrans-66.2-45.3174.2-73174.966.7174.50111.6I179 F180 I181 L185 T186 S187I179-K183 HydrophobicContact CG2-CD 3.87Å; I179-K183 HydrophobicContact CG2-CG 4.27Å; I179-K183 WeakPolarHBondContact O-CB 3.48Å; I179-K183 VanDerWaalsContact O-CG 3.28Å; I179-K183 WeakPolarHBondContact O-CG 3.32Å; I179-K183 PolarHBondContact O-N 2.87Å; F180-K183 PolarHBondContact O-N 3.24Å; I181-K183 VanDerWaalsContact C-N 3.33Å; I181-K183 PolarHBondContact O-N 3.35Å; K183-L185 PolarHBondContact O-N 3.25Å; K183-T186 PolarHBondContact O-N 3Å; K183-S187 WeakPolarHBondContact O-CB 3.47Å; K183-S187 PolarHBondContact O-N 3.49Å; K183-S187 PolarHBondContact O-OG 3.18Å
184R87.9Confident83.2Confident172 Ų172104.7 Ų104.765%0.64956%0.56SS**Hα-helixtrans-61.4-36.4174.2-167.6-171-174.5-166.93111.3F180 I181 S187 H188F180-R184 WeakPolarHBondContact O-CB 3.28Å; F180-R184 PolarHBondContact O-N 2.73Å; I181-R184 CarbonylContact O-C 3.56Å; I181-R184 PolarHBondContact O-N 3.47Å; R184-S187 WeakPolarHBondContact CA-OG 3.38Å; R184-S187 PolarHBondContact O-OG 3.07Å; R184-S187 VanDerWaalsContact O-OG 3.07Å; R184-H188 PolarHBondContact O-N 3.18Å; R184-H188 PolarHBondContact O-ND1 3.37Å
185L85.4Confident82.4Confident96 Ų96107.2 Ų107.250%0.50356%0.563SS.*Hα-helixtrans-69.5-40.8178.8-71.7177.5000111.8I181 G182 K183 H188 N189I181-L185 HydrophobicContact CG2-CD1 3.62Å; I181-L185 HydrophobicContact CG2-CG 4.04Å; I181-L185 WeakPolarHBondContact O-CB 3.42Å; I181-L185 VanDerWaalsContact O-CG 3.24Å; I181-L185 WeakPolarHBondContact O-CG 3.5Å; I181-L185 PolarHBondContact O-N 2.84Å; G182-L185 PolarHBondContact O-N 2.84Å; K183-L185 PolarHBondContact O-N 3.25Å; L185-H188 VanDerWaalsContact C-ND1 3.34Å; L185-H188 WeakPolarHBondContact CA-CE1 3.42Å; L185-H188 WeakPolarHBondContact CA-ND1 3.31Å; L185-H188 WeakPolarHBondContact CD2-CE1 3.46Å; L185-H188 PolarHBondContact O-CE1 2.9Å; L185-H188 PolarHBondContact O-ND1 2.87Å; L185-N189 WeakPolarHBondContact O-CB 3.16Å
186T80Confident81.5Confident100 Ų100108.3 Ų108.361%0.61356%0.564SS**Hα-helixtrans-68-42.1174.7-68.30000111.7G182 K183 H188 N189 T190G182-T186 PolarHBondContact O-N 2.97Å; G182-T186 PolarHBondContact O-OG1 3.28Å; K183-T186 PolarHBondContact O-N 3Å; T186-H188 PolarHBondContact O-N 2.92Å; T186-N189 PolarHBondContact O-N 3.32Å; T186-T190 PolarHBondContact O-OG1 2.95Å
187S72.4Confident80.6Confident67 Ų67112.9 Ų112.947%0.46958%0.575SS.*Hα-helixtrans-70.8-30.2-176.262.80000114.6K183 R184 T190K183-S187 WeakPolarHBondContact O-CB 3.47Å; K183-S187 PolarHBondContact O-N 3.49Å; K183-S187 PolarHBondContact O-OG 3.18Å; R184-S187 WeakPolarHBondContact CA-OG 3.38Å; R184-S187 PolarHBondContact O-OG 3.07Å; R184-S187 VanDerWaalsContact O-OG 3.07Å; S187-T190 PolarHBondContact O-OG1 3.4Å
188H63.7Low79.5Confident108 Ų108113.3 Ų113.350%0.558%0.576SS.*Hα-helixtrans-82.3-15.7177.283.1-85.2000113.3R184 L185 T186 T190R184-H188 PolarHBondContact O-N 3.18Å; R184-H188 PolarHBondContact O-ND1 3.37Å; L185-H188 VanDerWaalsContact C-ND1 3.34Å; L185-H188 WeakPolarHBondContact CA-CE1 3.42Å; L185-H188 WeakPolarHBondContact CA-ND1 3.31Å; L185-H188 WeakPolarHBondContact CD2-CE1 3.46Å; L185-H188 PolarHBondContact O-CE1 2.9Å; L185-H188 PolarHBondContact O-ND1 2.87Å; T186-H188 PolarHBondContact O-N 2.92Å; H188-T190 VanDerWaalsContact C-N 3.34Å
189N61.3Low78.2Confident132 Ų132118.6 Ų118.671%0.70659%0.585SS**THydrogen-bonded Turntrans-91.5-2.3-178.6-148.3-9.9000112.2L185 T186L185-N189 WeakPolarHBondContact O-CB 3.16Å; T186-N189 PolarHBondContact O-N 3.32Å
190T59Low76.9Confident109 Ų109120.3 Ų120.367%0.66959%0.592SS**THydrogen-bonded Turntrans-97.313.6175.733.70000114T186 S187 H188T186-T190 PolarHBondContact O-OG1 2.95Å; S187-T190 PolarHBondContact O-OG1 3.4Å; H188-T190 VanDerWaalsContact C-N 3.34Å
191Y49.2Very low75.3Confident276 Ų276119.4 Ų119.4100%1.08259%0.594SS**  trans-116.70172.3-88.3-80.2000111.2

Retrieved 191 of 191 residues in 202.2 ms (Link to these results)