A0A087X9K2_POEFO Loading...

CWC15 spliceosome associated protein homolog

AlphaFold DB (A0A3B3W1I2), UniProt , Accession A0A087X9K2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 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
1M64.5Low89.4Confident244 Ų244144.3 Ų144.3100%1.20280%0.803SS**  0131.60-70.9-170.2-104.600108
2T79.8Confident89.8Confident131 Ų131141.2 Ų141.280%0.80481%0.81SS**  trans-86.7141.5-178.653.80000110.6A4T2-A4 VanDerWaalsContact C-N 3.27Å; T2-A4 PolarHBondContact O-N 3.46Å
3T86.5Confident90.1Very high130 Ų130148.5 Ų148.580%0.79882%0.817SS**SBendtrans-88.611.8-175.952.50000113.4
4A89.6Confident90.4Very high81 Ų81142.4 Ų142.467%0.66980%0.804SS**  trans-74.2-34.9-172.900000113.1T2 R6T2-A4 VanDerWaalsContact C-N 3.27Å; T2-A4 PolarHBondContact O-N 3.46Å; A4-R6 PolarHBondContact O-N 3.23Å
5A93.1Very high90.2Very high102 Ų102136 Ų13684%0.84378%0.783SS**  trans-80.6101.517300000109.4
6R92.9Very high89.9Confident207 Ų207143.1 Ų143.178%0.78179%0.792SS**  trans-130.4143.3179.151175.3141.1111.1-3.2111.6A4A4-R6 PolarHBondContact O-N 3.23Å
7P94.7Very high89.6Confident89 Ų89136.6 Ų136.658%0.57877%0.766SS**  trans-68.3155.2173.430.3-35.2000111F9P7-F9 HydrophobicContact CB-CZ 4.43Å; P7-F9 HydrophobicContact CG-CD2 4.43Å; P7-F9 HydrophobicContact CG-CE1 4.07Å; P7-F9 HydrophobicContact CG-CE2 3.66Å; P7-F9 HydrophobicContact CG-CZ 3.45Å; P7-F9 VanDerWaalsContact CG-CZ 3.45Å
8T95.1Very high89.2Confident133 Ų133135.5 Ų135.582%0.81675%0.752SS**  trans-87.7110.6170.342.90000109.6
9F94.8Very high88.9Confident183 Ų183130.7 Ų130.780%0.80374%0.737SS**SBendtrans-88-30.6175.4-64.6-69.3000112.9P7P7-F9 HydrophobicContact CB-CZ 4.43Å; P7-F9 HydrophobicContact CG-CD2 4.43Å; P7-F9 HydrophobicContact CG-CE1 4.07Å; P7-F9 HydrophobicContact CG-CE2 3.66Å; P7-F9 HydrophobicContact CG-CZ 3.45Å; P7-F9 VanDerWaalsContact CG-CZ 3.45Å
10E95.9Very high88.7Confident176 Ų176128.3 Ų128.382%0.82272%0.719SS**SBendtrans-120.5126.5176.3-64.1-177.4-17900109.4
11P96.4Very high88.4Confident111 Ų111126 Ų12672%0.72172%0.724SS**PPolyproline II helixtrans-75.9155.5176.531.8-34.4000111.2R13P11-R13 PolarHBondContact O-N 3.16Å
12A94.9Very high89.1Confident107 Ų107120.1 Ų120.188%0.88470%0.698SS**PPolyproline II helixtrans-63.4134.2171.500000110.7
13R93.7Very high88.8Confident237 Ų237119.4 Ų119.489%0.89469%0.688SS**PPolyproline II helixtrans-88.7136.5177.4-59.3177.888.1128.90.1110.1P11P11-R13 PolarHBondContact O-N 3.16Å
14G93.4Very high87.8Confident62 Ų62116 Ų11664%0.63967%0.67SS**SBendtrans-68.6168.2166.900000112
15G88.2Confident86.6Confident47 Ų47115.8 Ų115.849%0.48567%0.668SS.*SBendtrans110.94.617800000115.5E20G15-E20 WeakPolarHBondContact CA-OE2 3.42Å; G15-E20 PolarHBondContact N-OE1 3.4Å; G15-E20 PolarHBondContact N-OE2 2.93Å
16R85.2Confident85.7Confident249 Ų249117.9 Ų117.994%0.9466%0.664SS**SBendtrans-130.51.8-178.9-63.2-166.6-178.2-163.41.8113.7E20R16-E20 PolarHBondContact N-OE2 3.27Å
17G84.5Confident85.3Confident34 Ų34110.3 Ų110.335%0.35164%0.643SS.*SBendtrans-97.9-174-174.700000115.1G19 E20G17-G19 PolarHBondContact O-N 3.49Å; G17-E20 PolarHBondContact N-OE2 3.03Å; G17-E20 PolarHBondContact O-N 3.4Å; G17-E20 VanDerWaalsContact O-N 3.07Å
18K82.1Confident85Confident116 Ų116115.7 Ų115.750%0.50466%0.657SS.*THydrogen-bonded Turntrans-59.5123.6173.8-175.7178-173.9-87.70110.2E20 Q29K18-E20 VanDerWaalsContact C-N 3.34Å; K18-Q29 WeakPolarHBondContact CE-O 3.43Å; K18-Q29 PolarHBondContact NZ-O 3Å
19G83.4Confident84.8Confident45 Ų45116.4 Ų116.446%0.46465%0.651SS.*THydrogen-bonded Turntrans87.8-3.2-177.900000114.8G17G17-G19 PolarHBondContact O-N 3.49Å
20E86.1Confident84.7Confident81 Ų81115.8 Ų115.838%0.37965%0.645SS.*SBendtrans-110.1122.4-179.4-57.5178.1140.100109.7G15 R16 G17 K18 D22G15-E20 WeakPolarHBondContact CA-OE2 3.42Å; G15-E20 PolarHBondContact N-OE1 3.4Å; G15-E20 PolarHBondContact N-OE2 2.93Å; R16-E20 PolarHBondContact N-OE2 3.27Å; G17-E20 PolarHBondContact N-OE2 3.03Å; G17-E20 PolarHBondContact O-N 3.4Å; G17-E20 VanDerWaalsContact O-N 3.07Å; K18-E20 VanDerWaalsContact C-N 3.34Å; E20-D22 PolarHBondContact O-N 3.27Å
21G82.7Confident84.6Confident81 Ų81110 Ų11084%0.83562%0.624SS**SBendtrans76.6-115.7-171.300000111.5L23G21-L23 PolarHBondContact O-N 2.92Å
22D77.9Confident84.6Confident120 Ų120109.3 Ų109.364%0.64262%0.622SS**SBendtrans-80.231.8-174.5-169.436000114E20 S24 A25E20-D22 PolarHBondContact O-N 3.27Å; D22-S24 PolarHBondContact O-N 2.82Å; D22-A25 PolarHBondContact O-N 3.13Å
23L73.9Confident84.7Confident116 Ų116114.9 Ų114.961%0.60762%0.62SS**Hα-helixtrans47.126-174-65.2173.6000113.9G21G21-L23 PolarHBondContact O-N 2.92Å
24S65.8Low84.7Confident60 Ų60108.2 Ų108.242%0.4260%0.602SS.*Hα-helixtrans53.254.7-169176.40000113.3D22 L26 S27D22-S24 PolarHBondContact O-N 2.82Å; S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 3.28Å; S24-S27 PolarHBondContact O-N 3.32Å
25A63.8Low84.8Confident75 Ų75109.9 Ų109.962%0.6260%0.596SS**Hα-helixtrans51.745.2170.500000113.9D22 S27D22-A25 PolarHBondContact O-N 3.13Å; A25-S27 VanDerWaalsContact C-N 3.35Å; A25-S27 PolarHBondContact O-N 3.28Å
26L73.8Confident85.2Confident147 Ų147113.2 Ų113.277%0.7761%0.609SS**Hα-helixtrans49.148.8-179.3-73.3102.2000114.2S24 K28S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 3.28Å; L26-K28 PolarHBondContact O-N 3.26Å
27S84.9Confident85.7Confident47 Ų47104 Ų10433%0.32959%0.591SS.*  trans-53.9130.6170179.40000111.4S24 A25 Q29S24-S27 PolarHBondContact O-N 3.32Å; A25-S27 VanDerWaalsContact C-N 3.35Å; A25-S27 PolarHBondContact O-N 3.28Å; S27-Q29 PolarHBondContact O-N 3.24Å; S27-Q29 WeakPolarHBondContact OG-CB 3.36Å; S27-Q29 PolarHBondContact OG-N 3.45Å
28K88.8Confident86.3Confident202 Ų202111.6 Ų111.688%0.87862%0.617SS**  trans-76.5-0.4175.6-63.7-178.5-179.5179.10113.3L26L26-K28 PolarHBondContact O-N 3.26Å
29Q90.8Very high87Confident149 Ų149112.2 Ų112.270%0.69663%0.631SS**  trans-80.3124.4-179.8-62.7174.5-19.300110.1K18 S27K18-Q29 WeakPolarHBondContact CE-O 3.43Å; K18-Q29 PolarHBondContact NZ-O 3Å; S27-Q29 PolarHBondContact O-N 3.24Å; S27-Q29 WeakPolarHBondContact OG-CB 3.36Å; S27-Q29 PolarHBondContact OG-N 3.45Å
30Y92.1Very high87.7Confident169 Ų169118.6 Ų118.666%0.66365%0.646SS**  trans-131.9148.5172.262.3-88.3000110L35Y30-L35 HydrophobicContact CD2-CD2 4.38Å; Y30-L35 HydrophobicContact CE2-CD2 3.89Å; Y30-L35 HydrophobicContact CE2-CG 4.45Å
31S94.4Very high88.3Confident54 Ų54120.7 Ų120.738%0.37866%0.659SS.*  trans-83.5158.6175-173.60000110.6R33 D34S31-R33 PolarHBondContact O-N 3.5Å; S31-R33 VanDerWaalsContact O-N 3.16Å; S31-R33 PolarHBondContact OG-N 3.21Å; S31-D34 WeakPolarHBondContact CB-OD2 3.49Å; S31-D34 PolarHBondContact N-OD2 3.48Å; S31-D34 WeakPolarHBondContact O-CB 3.41Å; S31-D34 PolarHBondContact O-N 3.02Å
32S96.6Very high89Confident97 Ų97126.6 Ų126.668%0.67866%0.661SS**G310 helixtrans-58.9-24.6169.3570000112.6D34 L35S32-D34 VanDerWaalsContact C-N 3.35Å; S32-L35 WeakPolarHBondContact O-CB 3.44Å; S32-L35 WeakPolarHBondContact O-CD1 3.26Å
33R96.1Very high89.9Confident224 Ų224129.2 Ų129.285%0.84566%0.663SS**G310 helixtrans-77.9-17.2175.2-60.8175.273.697.2-2.4113.7S31 L35S31-R33 PolarHBondContact O-N 3.5Å; S31-R33 VanDerWaalsContact O-N 3.16Å; S31-R33 PolarHBondContact OG-N 3.21Å; R33-L35 VanDerWaalsContact C-N 3.31Å
34D94.3Very high91Very high98 Ų98131.3 Ų131.352%0.52466%0.663SS.*G310 helixtrans-88-3.5177.7-58-27.9000111.9S31 S32S31-D34 WeakPolarHBondContact CB-OD2 3.49Å; S31-D34 PolarHBondContact N-OD2 3.48Å; S31-D34 WeakPolarHBondContact O-CB 3.41Å; S31-D34 PolarHBondContact O-N 3.02Å; S32-D34 VanDerWaalsContact C-N 3.35Å
35L95.2Very high92.4Very high96 Ų96133.7 Ų133.750%0.50367%0.667SS.*SBendtrans-63.6150.2173.7-72.5167.2000110.4Y30 S32 R33 G37Y30-L35 HydrophobicContact CD2-CD2 4.38Å; Y30-L35 HydrophobicContact CE2-CD2 3.89Å; Y30-L35 HydrophobicContact CE2-CG 4.45Å; S32-L35 WeakPolarHBondContact O-CB 3.44Å; S32-L35 WeakPolarHBondContact O-CD1 3.26Å; R33-L35 VanDerWaalsContact C-N 3.31Å; L35-G37 PolarHBondContact O-N 3.27Å
36P97.3Very high93.8Very high118 Ų118134.1 Ų134.177%0.76666%0.664SS**  trans-54.3114-178.5-27.735.6000113T39P36-T39 HydrophobicContact CB-CG2 4.07Å
37G96.3Very high94.7Very high55 Ų55133.4 Ų133.457%0.56767%0.666SS**  trans-139.5141.1175.800000110.1L35 T39L35-G37 PolarHBondContact O-N 3.27Å; G37-T39 PolarHBondContact O-N 3.43Å
38H96.6Very high95.2Very high193 Ų193136.2 Ų136.289%0.89467%0.674SS**  trans50.750.2-177.7-58-71.7000114K40H38-K40 PolarHBondContact O-N 2.96Å; H38-K40 VanDerWaalsContact O-N 3.08Å
39T97.4Very high95.4Very high129 Ų129130.6 Ų130.679%0.79165%0.654SS**  trans-69.5-2.7-178.556.40000114.7P36 G37P36-T39 HydrophobicContact CB-CG2 4.07Å; G37-T39 PolarHBondContact O-N 3.43Å
40K97.6Very high95.7Very high179 Ų179124 Ų12478%0.77863%0.625SS**SBendtrans-125.9116.5179.5-174.2178.1-69.6-177.50110.1H38H38-K40 PolarHBondContact O-N 2.96Å; H38-K40 VanDerWaalsContact O-N 3.08Å
41I97.5Very high95.8Very high126 Ų126120.1 Ų120.165%0.64662%0.62SS**PPolyproline II helixtrans-74134.5173.2-63.9172.1000108.9
42K97.6Very high95.7Very high204 Ų204124.6 Ų124.689%0.88764%0.635SS**PPolyproline II helixtrans-88.1133.1173.7-63.3-178.2-179.4-178.60109.3
43Y96.9Very high95.6Very high175 Ų175123.5 Ų123.569%0.68662%0.619SS**PPolyproline II helixtrans-103144.1173.4-62.5-83.8000110.2Q45Y43-Q45 PolarHBondContact O-N 3.32Å; Y43-Q45 PolarHBondContact O-NE2 3.49Å; Y43-Q45 VanDerWaalsContact O-NE2 3.07Å
44R96.8Very high95.5Very high161 Ų161115.4 Ų115.461%0.60859%0.594SS**PPolyproline II helixtrans-61.4124.4172.9-66.8-179.3177.8-86.50.9108.8Q48 D49R44-Q48 HydrophobicContact CB-CB 4.47Å; R44-Q48 WeakPolarHBondContact CD-O 3.44Å; R44-Q48 PolarHBondContact NH1-O 2.95Å; R44-D49 WeakPolarHBondContact CD-O 3.41Å
45Q95.9Very high95.5Very high109 Ų109120 Ų12051%0.50961%0.605SS.*PPolyproline II helixtrans-80.8161174.7-61.3-53.8-63.200110.1Y43 T47 Q48Y43-Q45 PolarHBondContact O-N 3.32Å; Y43-Q45 PolarHBondContact O-NE2 3.49Å; Y43-Q45 VanDerWaalsContact O-NE2 3.07Å; Q45-T47 PolarHBondContact O-N 2.98Å; Q45-Q48 HydrophobicContact CB-CG 4.46Å; Q45-Q48 WeakPolarHBondContact O-CB 3.22Å; Q45-Q48 PolarHBondContact O-N 3.46Å
46P92.7Very high95.4Very high85 Ų85120 Ų12055%0.55262%0.618SS**THydrogen-bonded Turntrans-48.8136.8162-2333.9000108.9E53P46-E53 WeakPolarHBondContact CA-OE1 3.07Å
47T93.3Very high95.3Very high131 Ų131119.5 Ų119.580%0.80460%0.601SS**THydrogen-bonded Turntrans81.8-7.3-166.8770000118Q45 E53Q45-T47 PolarHBondContact O-N 2.98Å; T47-E53 PolarHBondContact N-OE1 2.92Å; T47-E53 PolarHBondContact N-OE2 3.39Å
48Q95Very high95.2Very high106 Ų106121 Ų12150%0.49560%0.595SS.*SBendtrans-112.533179.4-60.8-175.9-21.100113.1R44 Q45R44-Q48 HydrophobicContact CB-CB 4.47Å; R44-Q48 WeakPolarHBondContact CD-O 3.44Å; R44-Q48 PolarHBondContact NH1-O 2.95Å; Q45-Q48 HydrophobicContact CB-CG 4.46Å; Q45-Q48 WeakPolarHBondContact O-CB 3.22Å; Q45-Q48 PolarHBondContact O-N 3.46Å
49D94Very high95.3Very high85 Ų85116.9 Ų116.946%0.45558%0.575SS.*  trans61.953.1-170.5-53-51.6000111.6R44 V54R44-D49 WeakPolarHBondContact CD-O 3.41Å; D49-V54 HydrophobicContact CB-CG2 3.8Å
50A95.6Very high95.2Very high11 Ų11120.6 Ų120.69%0.09158%0.575CS.*  trans-58.7143.4168.200000109.2E52 E53 V54A50-E52 PolarHBondContact O-N 3.09Å; A50-E53 HydrophobicContact CB-CG 4.39Å; A50-E53 PolarHBondContact O-N 3.4Å; A50-V54 WeakPolarHBondContact O-CG2 3.2Å; A50-V54 PolarHBondContact O-N 2.91Å; A50-V54 VanDerWaalsContact O-N 3.09Å
51P94.6Very high95.2Very high87 Ų87120.3 Ų120.357%0.56557%0.569SS**Hα-helixtrans-61.1-24.6-172.424.8-35.1000113.3R55P51-R55 WeakPolarHBondContact O-CB 3.37Å; P51-R55 PolarHBondContact O-N 3.42Å
52E93.2Very high95.1Very high148 Ų148117.4 Ų117.469%0.69255%0.553SS**Hα-helixtrans-70.3-43.9175.4-62.4-178.6174.700111.9A50 R55 A56A50-E52 PolarHBondContact O-N 3.09Å; E52-R55 PolarHBondContact O-N 2.98Å; E52-A56 PolarHBondContact O-N 2.98Å
53E93.2Very high95.1Very high73 Ų73112.2 Ų112.234%0.34153%0.534SS..Hα-helixtrans-65.7-44.3177-64.7174.1-178.300111.1P46 T47 A50 R55 A56 R57P46-E53 WeakPolarHBondContact CA-OE1 3.07Å; T47-E53 PolarHBondContact N-OE1 2.92Å; T47-E53 PolarHBondContact N-OE2 3.39Å; A50-E53 HydrophobicContact CB-CG 4.39Å; A50-E53 PolarHBondContact O-N 3.4Å; E53-R55 VanDerWaalsContact C-N 3.26Å; E53-R55 PolarHBondContact O-N 3.48Å; E53-A56 PolarHBondContact O-N 3.31Å; E53-R57 PolarHBondContact O-N 2.86Å
54V94.6Very high95.1Very high54 Ų54108.7 Ų108.733%0.32752%0.524SS..Hα-helixtrans-60.1-37.8178.2171.70000111.1D49 A50 A56 R57 F59D49-V54 HydrophobicContact CB-CG2 3.8Å; A50-V54 WeakPolarHBondContact O-CG2 3.2Å; A50-V54 PolarHBondContact O-N 2.91Å; A50-V54 VanDerWaalsContact O-N 3.09Å; V54-A56 VanDerWaalsContact C-N 3.35Å; V54-R57 PolarHBondContact O-N 3.44Å; V54-F59 HydrophobicContact CB-CZ 4.43Å; V54-F59 HydrophobicContact CG1-CE2 4.17Å; V54-F59 HydrophobicContact CG1-CZ 3.78Å; V54-F59 WeakPolarHBondContact O-CE2 3.48Å
55R94.4Very high95.1Very high196 Ų196106.4 Ų106.474%0.7452%0.52SS*.Hα-helixtrans-68.9-32.7180-169-176.9-60.1125.51.6112.8P51 E52 E53 R57P51-R55 WeakPolarHBondContact O-CB 3.37Å; P51-R55 PolarHBondContact O-N 3.42Å; E52-R55 PolarHBondContact O-N 2.98Å; E53-R55 VanDerWaalsContact C-N 3.26Å; E53-R55 PolarHBondContact O-N 3.48Å; R55-R57 VanDerWaalsContact C-N 3.34Å
56A93.4Very high95.1Very high94 Ų94109.9 Ų109.978%0.77753%0.529SS*.Hα-helixtrans-84-7.8-179.200000113.6E52 E53 V54E52-A56 PolarHBondContact O-N 2.98Å; E53-A56 PolarHBondContact O-N 3.31Å; V54-A56 VanDerWaalsContact C-N 3.35Å
57R94Very high95.3Very high109 Ų109111 Ų11141%0.41153%0.526SS..  trans-91.7134.8-169.6-160.9166.3-172.1152.1-1.4112.4E53 V54 R55 F59 E62E53-R57 PolarHBondContact O-N 2.86Å; V54-R57 PolarHBondContact O-N 3.44Å; R55-R57 VanDerWaalsContact C-N 3.34Å; R57-F59 HydrophobicContact CB-CE1 4.24Å; R57-F59 HydrophobicContact CB-CE2 4.32Å; R57-F59 HydrophobicContact CB-CZ 3.96Å; R57-F59 HydrophobicContact CG-CD1 4.48Å; R57-F59 HydrophobicContact CG-CE1 4.14Å; R57-F59 HydrophobicContact CG-CZ 4.37Å; R57-F59 PolarHBondContact O-N 3.22Å; R57-E62 IonicContact CZ-OE1 2.77Å; R57-E62 IonicContact CZ-OE2 3.6Å; R57-E62 IonicContact NE-OE1 3.68Å; R57-E62 IonicContact NE-OE2 3.86Å; R57-E62 PolarHBondContact NE-OE2 3.44Å; R57-E62 IonicContact NH2-OE1 3.74Å; R57-E62 PolarHBondContact NH2-OE1 3.47Å; R57-E62 IonicContact NH2-OE2 2.69Å; R57-E62 PolarHBondContact NH2-OE2 3.48Å
58D95.9Very high95.4Very high85 Ų85112.7 Ų112.746%0.45552%0.518SS..  trans-89.997169.6-179.48.6000110.7R60 R61D58-R60 VanDerWaalsContact C-N 3.31Å; D58-R60 PolarHBondContact O-N 3.41Å; D58-R60 PolarHBondContact OD1-N 3.02Å; D58-R60 VanDerWaalsContact OD1-N 3.12Å; D58-R61 WeakPolarHBondContact OD2-CB 3.38Å
59F97.1Very high95.4Very high107 Ų107110.3 Ų110.347%0.46951%0.511SS..Hα-helixtrans-68.4-26.1-178.7-64.5-69.4000114V54 R57 L63V54-F59 HydrophobicContact CB-CZ 4.43Å; V54-F59 HydrophobicContact CG1-CE2 4.17Å; V54-F59 HydrophobicContact CG1-CZ 3.78Å; V54-F59 WeakPolarHBondContact O-CE2 3.48Å; R57-F59 HydrophobicContact CB-CE1 4.24Å; R57-F59 HydrophobicContact CB-CE2 4.32Å; R57-F59 HydrophobicContact CB-CZ 3.96Å; R57-F59 HydrophobicContact CG-CD1 4.48Å; R57-F59 HydrophobicContact CG-CE1 4.14Å; R57-F59 HydrophobicContact CG-CZ 4.37Å; R57-F59 PolarHBondContact O-N 3.22Å; F59-L63 WeakPolarHBondContact O-CB 3.32Å; F59-L63 PolarHBondContact O-N 2.99Å
60R96.5Very high95.4Very high208 Ų208110.4 Ų110.479%0.78551%0.514SS*.Hα-helixtrans-68.2-48.3-176.7-177-179.1-68.3116.6-3.2110.1D58 E64D58-R60 VanDerWaalsContact C-N 3.31Å; D58-R60 PolarHBondContact O-N 3.41Å; D58-R60 PolarHBondContact OD1-N 3.02Å; D58-R60 VanDerWaalsContact OD1-N 3.12Å; R60-E64 PolarHBondContact O-N 3.47Å; R60-E64 VanDerWaalsContact O-N 3.15Å
61R96.9Very high95.3Very high173 Ų173113.3 Ų113.365%0.65353%0.533SS*.Hα-helixtrans-63.7-45.4-179.9-175.3178.766.4103.11.9112.2D58 E64 E65D58-R61 WeakPolarHBondContact OD2-CB 3.38Å; R61-E64 PolarHBondContact O-N 3.44Å; R61-E65 PolarHBondContact O-N 3.13Å
62E96.1Very high95.1Very high65 Ų65115.4 Ų115.430%0.30453%0.53SS..Hα-helixtrans-67.3-39.6-179.7179.5-179.5176.700112.7R57 E64 E65 R66R57-E62 IonicContact CZ-OE1 2.77Å; R57-E62 IonicContact CZ-OE2 3.6Å; R57-E62 IonicContact NE-OE1 3.68Å; R57-E62 IonicContact NE-OE2 3.86Å; R57-E62 PolarHBondContact NE-OE2 3.44Å; R57-E62 IonicContact NH2-OE1 3.74Å; R57-E62 PolarHBondContact NH2-OE1 3.47Å; R57-E62 IonicContact NH2-OE2 2.69Å; R57-E62 PolarHBondContact NH2-OE2 3.48Å; E62-E64 VanDerWaalsContact C-N 3.34Å; E62-E65 PolarHBondContact O-N 3Å; E62-R66 WeakPolarHBondContact O-CB 3.28Å; E62-R66 PolarHBondContact O-N 2.96Å
63L97.3Very high95Very high95 Ų95111.6 Ų111.650%0.49751%0.514SS..Hα-helixtrans-60.4-47.9177.1-175.2161.7000110F59 E65 R66 E67F59-L63 WeakPolarHBondContact O-CB 3.32Å; F59-L63 PolarHBondContact O-N 2.99Å; L63-E65 PolarHBondContact O-N 3.49Å; L63-R66 PolarHBondContact O-N 3.02Å; L63-E67 HydrophobicContact CD2-CG 3.88Å; L63-E67 VanDerWaalsContact CD2-OE1 3.25Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.4Å; L63-E67 WeakPolarHBondContact O-CB 3.43Å; L63-E67 WeakPolarHBondContact O-CG 3.38Å; L63-E67 PolarHBondContact O-N 3.19Å
64E96.7Very high94.9Very high100 Ų100114.7 Ų114.747%0.46753%0.527SS..Hα-helixtrans-59.4-43.6177.1-177.962.8-146.700112.1R60 R61 E62 R66 E67 R68R60-E64 PolarHBondContact O-N 3.47Å; R60-E64 VanDerWaalsContact O-N 3.15Å; R61-E64 PolarHBondContact O-N 3.44Å; E62-E64 VanDerWaalsContact C-N 3.34Å; E64-R66 PolarHBondContact O-N 2.88Å; E64-E67 PolarHBondContact O-N 2.92Å; E64-R68 WeakPolarHBondContact O-CB 3.41Å; E64-R68 PolarHBondContact O-N 3.19Å; E64-R68 IonicContact OE1-NH2 3.22Å
65E96.6Very high94.6Very high114 Ų114117.1 Ų117.153%0.53354%0.542SS..Hα-helixtrans-62-44.5176.1-177176.5-17400111.6R61 E62 L63 R68 V69R61-E65 PolarHBondContact O-N 3.13Å; E62-E65 PolarHBondContact O-N 3Å; L63-E65 PolarHBondContact O-N 3.49Å; E65-R68 WeakPolarHBondContact O-CB 3.32Å; E65-R68 PolarHBondContact O-N 2.88Å; E65-V69 WeakPolarHBondContact O-CG2 3.48Å; E65-V69 PolarHBondContact O-N 3.44Å
66R97.1Very high94.1Very high182 Ų182116.6 Ų116.669%0.68754%0.54SS*.Hα-helixtrans-67.3-39.2179.3-168.3174.4174.789.51.8111.6E62 L63 E64 R68 V69 V70E62-R66 WeakPolarHBondContact O-CB 3.28Å; E62-R66 PolarHBondContact O-N 2.96Å; L63-R66 PolarHBondContact O-N 3.02Å; E64-R66 PolarHBondContact O-N 2.88Å; R66-R68 VanDerWaalsContact C-N 3.34Å; R66-V69 PolarHBondContact O-N 3.33Å; R66-V70 VanDerWaalsContact O-CG2 3.31Å; R66-V70 WeakPolarHBondContact O-CG2 3.39Å; R66-V70 PolarHBondContact O-N 2.91Å
67E95.9Very high93.4Very high107 Ų107120.5 Ų120.550%0.554%0.542SS..Hα-helixtrans-64-38.7174-76.3-172.5169.200112.1L63 E64 V70 S71L63-E67 HydrophobicContact CD2-CG 3.88Å; L63-E67 VanDerWaalsContact CD2-OE1 3.25Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.4Å; L63-E67 WeakPolarHBondContact O-CB 3.43Å; L63-E67 WeakPolarHBondContact O-CG 3.38Å; L63-E67 PolarHBondContact O-N 3.19Å; E64-E67 PolarHBondContact O-N 2.92Å; E67-V70 PolarHBondContact O-N 3.47Å; E67-S71 VanDerWaalsContact O-CB 3.27Å; E67-S71 WeakPolarHBondContact O-CB 3.42Å; E67-S71 PolarHBondContact O-N 2.88Å; E67-S71 PolarHBondContact O-OG 3.35Å
68R95.4Very high92.2Very high167 Ų167121 Ų12163%0.6354%0.544SS*.Hα-helixtrans-61.3-45.6173-176.5-175.7-59.3-98.5-8.7111.8E64 E65 R66 S71 R72E64-R68 WeakPolarHBondContact O-CB 3.41Å; E64-R68 PolarHBondContact O-N 3.19Å; E64-R68 IonicContact OE1-NH2 3.22Å; E65-R68 WeakPolarHBondContact O-CB 3.32Å; E65-R68 PolarHBondContact O-N 2.88Å; R66-R68 VanDerWaalsContact C-N 3.34Å; R68-S71 PolarHBondContact O-N 3.33Å; R68-R72 WeakPolarHBondContact O-CB 3.45Å; R68-R72 PolarHBondContact O-N 3.38Å
69V95.3Very high90.4Very high57 Ų57119 Ų11935%0.34554%0.543SS..Hα-helixtrans-63.3-47.8177.6173.20000110.9E65 R66 S71 R72 D73E65-V69 WeakPolarHBondContact O-CG2 3.48Å; E65-V69 PolarHBondContact O-N 3.44Å; R66-V69 PolarHBondContact O-N 3.33Å; V69-S71 VanDerWaalsContact C-N 3.32Å; V69-S71 PolarHBondContact O-N 3.47Å; V69-R72 PolarHBondContact O-N 3.33Å; V69-D73 WeakPolarHBondContact O-CB 3.5Å; V69-D73 VanDerWaalsContact O-CG 3.3Å; V69-D73 PolarHBondContact O-N 2.72Å
70V94.8Very high88.4Confident86 Ų86119.9 Ų119.952%0.52156%0.56SS.*Hα-helixtrans-60.5-43178.1169.80000111.2R66 E67 D73 K74R66-V70 VanDerWaalsContact O-CG2 3.31Å; R66-V70 WeakPolarHBondContact O-CG2 3.39Å; R66-V70 PolarHBondContact O-N 2.91Å; E67-V70 PolarHBondContact O-N 3.47Å; V70-D73 PolarHBondContact O-N 3.24Å; V70-K74 WeakPolarHBondContact O-CB 3.06Å; V70-K74 PolarHBondContact O-N 2.84Å
71S91.9Very high86.2Confident72 Ų72121.6 Ų121.650%0.50357%0.566SS.*Hα-helixtrans-63.2-44.1177-60.70000111.7E67 R68 V69 K74 T75E67-S71 VanDerWaalsContact O-CB 3.27Å; E67-S71 WeakPolarHBondContact O-CB 3.42Å; E67-S71 PolarHBondContact O-N 2.88Å; E67-S71 PolarHBondContact O-OG 3.35Å; R68-S71 PolarHBondContact O-N 3.33Å; V69-S71 VanDerWaalsContact C-N 3.32Å; V69-S71 PolarHBondContact O-N 3.47Å; S71-K74 PolarHBondContact O-N 3.46Å; S71-T75 PolarHBondContact O-N 3.26Å; S71-T75 PolarHBondContact O-OG1 3.4Å
72R91.2Very high84.1Confident132 Ų132118.9 Ų118.950%0.49856%0.561SS.*Hα-helixtrans-60.8-47.2175.2-175.5-162.169.1-168.5-3111.5R68 V69 K74 T75 R76R68-R72 WeakPolarHBondContact O-CB 3.45Å; R68-R72 PolarHBondContact O-N 3.38Å; V69-R72 PolarHBondContact O-N 3.33Å; R72-K74 VanDerWaalsContact C-N 3.34Å; R72-K74 PolarHBondContact O-N 3.33Å; R72-T75 PolarHBondContact O-N 3.41Å; R72-R76 WeakPolarHBondContact O-CG 3.3Å; R72-R76 PolarHBondContact O-N 3.04Å
73D91.6Very high81.7Confident67 Ų67123.9 Ų123.936%0.35858%0.584SS.*Hα-helixtrans-66.9-38.3-177.3-69.2-7.6000110.9V69 V70 T75 R76 E77V69-D73 WeakPolarHBondContact O-CB 3.5Å; V69-D73 VanDerWaalsContact O-CG 3.3Å; V69-D73 PolarHBondContact O-N 2.72Å; V70-D73 PolarHBondContact O-N 3.24Å; D73-T75 VanDerWaalsContact C-N 3.34Å; D73-T75 PolarHBondContact O-N 3.08Å; D73-R76 PolarHBondContact O-N 2.9Å; D73-E77 WeakPolarHBondContact O-CB 3.43Å; D73-E77 PolarHBondContact O-N 2.74Å
74K91.4Very high79.6Confident138 Ų138124.7 Ų124.760%0.659%0.593SS**Hα-helixtrans-61.2-40172.1-175159.1179.8176.20112.7V70 S71 R72 R78V70-K74 WeakPolarHBondContact O-CB 3.06Å; V70-K74 PolarHBondContact O-N 2.84Å; S71-K74 PolarHBondContact O-N 3.46Å; R72-K74 VanDerWaalsContact C-N 3.34Å; R72-K74 PolarHBondContact O-N 3.33Å; K74-R78 WeakPolarHBondContact O-CB 3.36Å; K74-R78 PolarHBondContact O-N 3.08Å; K74-R78 VanDerWaalsContact O-N 3.12Å
75T87.3Confident77.3Confident105 Ų105125.7 Ų125.764%0.64461%0.606SS**Hα-helixtrans-68.8-34.9175.5-57.10000112.1S71 R72 D73 R78S71-T75 PolarHBondContact O-N 3.26Å; S71-T75 PolarHBondContact O-OG1 3.4Å; R72-T75 PolarHBondContact O-N 3.41Å; D73-T75 VanDerWaalsContact C-N 3.34Å; D73-T75 PolarHBondContact O-N 3.08Å; T75-R78 CarbonylContact O-C 3.55Å; T75-R78 VanDerWaalsContact O-O 3.12Å
76R85Confident75.2Confident185 Ų185123.1 Ų123.170%0.69860%0.601SS**Hα-helixtrans-72.5-38.8176.9-70.9176.374.9-167.15.9112.9R72 D73 R78R72-R76 WeakPolarHBondContact O-CG 3.3Å; R72-R76 PolarHBondContact O-N 3.04Å; D73-R76 PolarHBondContact O-N 2.9Å; R76-R78 VanDerWaalsContact C-N 3.34Å
77E78.1Confident72.9Confident176 Ų176119.6 Ų119.682%0.82260%0.604SS**Hα-helixtrans-68-37.5177.3-169.2-172.7174.500111D73 G79D73-E77 WeakPolarHBondContact O-CB 3.43Å; D73-E77 PolarHBondContact O-N 2.74Å; E77-G79 PolarHBondContact O-N 3.29Å
78R68.1Low70.6Confident120 Ų120119.4 Ų119.445%0.45361%0.614SS.*SBendtrans-89.875.4177.3-150.3168.3-168-169.8-1.9110K74 T75 R76 E82 S86K74-R78 WeakPolarHBondContact O-CB 3.36Å; K74-R78 PolarHBondContact O-N 3.08Å; K74-R78 VanDerWaalsContact O-N 3.12Å; T75-R78 CarbonylContact O-C 3.55Å; T75-R78 VanDerWaalsContact O-O 3.12Å; R76-R78 VanDerWaalsContact C-N 3.34Å; R78-E82 IonicContact CZ-OE2 3.08Å; R78-E82 VanDerWaalsContact CZ-OE2 3.22Å; R78-E82 IonicContact NE-OE2 2.77Å; R78-E82 PolarHBondContact NE-OE2 3.25Å; R78-E82 IonicContact NH2-OE2 3.89Å; R78-E82 PolarHBondContact NH2-OE2 2.8Å; R78-S86 PolarHBondContact NH1-OG 2.96Å; R78-S86 PolarHBondContact NH2-OG 3.47Å
79G58.3Low68.2Low42 Ų42116.5 Ų116.543%0.43362%0.62SS.*  trans-52.3168.6176.400000113.9E77 R81E77-G79 PolarHBondContact O-N 3.29Å; G79-R81 PolarHBondContact O-N 3.25Å
80P54.4Low66Low127 Ų127119.6 Ų119.683%0.82564%0.644SS**THydrogen-bonded Turntrans-68.820.1-162.927.2-35000116.6
81R51.7Low63.8Low244 Ų244120.5 Ų120.592%0.92165%0.654SS**THydrogen-bonded Turntrans-105.43.2-175.4-79-172.3154.9153.5-2.5116G79G79-R81 PolarHBondContact O-N 3.25Å
82E51.8Low61.3Low116 Ų116122.6 Ų122.654%0.54267%0.669SS.*  trans-119.131173.2-77-160.1150.100113.6R78 T84R78-E82 IonicContact CZ-OE2 3.08Å; R78-E82 VanDerWaalsContact CZ-OE2 3.22Å; R78-E82 IonicContact NE-OE2 2.77Å; R78-E82 PolarHBondContact NE-OE2 3.25Å; R78-E82 IonicContact NH2-OE2 3.89Å; R78-E82 PolarHBondContact NH2-OE2 2.8Å; E82-T84 PolarHBondContact O-N 3.45Å
83H47.1Very low59Low169 Ų169121.1 Ų121.178%0.78268%0.679SS**  trans-81.145.7167.7-99.4-75.5000112.1
84T51.5Low57Low112 Ų112123.3 Ų123.369%0.68770%0.699SS**SBendtrans-139.3127.4155.3660000106.8E82E82-T84 PolarHBondContact O-N 3.45Å
85T49.6Very low54.8Low121 Ų121122.2 Ų122.274%0.74271%0.709SS**SBendtrans87.49.7164.687.10000122.5
86S51.6Low53Low60 Ų60127 Ų12742%0.4272%0.721SS.*SBendtrans-12716.2171.868.20000117.6R78R78-S86 PolarHBondContact NH1-OG 2.96Å; R78-S86 PolarHBondContact NH2-OG 3.47Å
87S49.3Very low51.2Low108 Ų108129.3 Ų129.376%0.75573%0.73SS**SBendtrans-104.716.8176.758.10000114.9
88S47.2Very low49.6Very low103 Ų103127.4 Ų127.472%0.7273%0.732SS**SBendtrans-131.429.1-175.670.10000115.5
89S46.3Very low48.4Very low106 Ų106133.3 Ų133.374%0.74176%0.755SS**SBendtrans-133.123.9177.962.20000115.8
90S47.4Very low47.8Very low122 Ų122138.7 Ų138.785%0.85377%0.772SS**SBendtrans-117.525.5172.263.80000114.3
91S48.4Very low47.5Very low106 Ų106138.7 Ų138.774%0.74177%0.766SS**  trans-141.342.2177.559.50000114.7
92S40.4Very low47.2Very low115 Ų115136.5 Ų136.580%0.80477%0.766SS**  trans-128.268.4165.570.50000111.3S94S92-S94 PolarHBondContact O-N 3.4Å
93S43.6Very low46.9Very low101 Ų101138.8 Ų138.871%0.70678%0.78SS**  trans-65.2115.9160.842.80000109.8S95S93-S95 PolarHBondContact O-N 3.28Å
94S49.4Very low46.9Very low114 Ų114135.6 Ų135.680%0.79777%0.774SS**  trans43.771.5140.664.40000118.1S92S92-S94 PolarHBondContact O-N 3.4Å
95S44.4Very low46.5Very low114 Ų114135.2 Ų135.280%0.79778%0.783SS**  trans-10398.8155.7-73.30000109.9S93S93-S95 PolarHBondContact O-N 3.28Å
96K50.3Low46.4Very low205 Ų205132.7 Ų132.789%0.89177%0.774SS**SBendtrans160.568.6146.4-87.7167.5-177.5178.60112.5
97R47Very low46Very low235 Ų235136.8 Ų136.889%0.88779%0.791SS**  trans-154.9123142.2-71.7-163.5136.6-171.9-8108.6
98P44.5Very low45.7Very low135 Ų135138.8 Ų138.888%0.87779%0.793SS**  trans-79.3125.1-178.232-30.4000109.5
99R42.9Very low45.6Very low245 Ų245141 Ų14193%0.92580%0.796SS**  trans-107.5113.5158-80.3-170.1173.298.2-3.6107.1
100L45.7Very low45.4Very low154 Ų154140.2 Ų140.281%0.80680%0.796SS**  trans-69153.5173.8-170.165.8000109.5
101D47.7Very low45.3Very low128 Ų128141.9 Ų141.968%0.68480%0.796SS**  trans81.581170.6-60.6-25.3000118.9
102Q45.1Very low45Very low198 Ų198143.6 Ų143.693%0.92580%0.797SS**  -176120.3112.6-97.8160.175.800110.9
103I46.2Very low45.6Very low163 Ų163142.7 Ų142.784%0.83679%0.788SS**  trans-132.2152.7174.3-46.6174.4000105.1
104P46.7Very low45.7Very low102 Ų102145 Ų14566%0.66279%0.792SS**  cis-133.2161.7-41.638.8-24.4000111.6A106P104-A106 PolarHBondContact O-N 3.42Å
105A42.8Very low45.2Very low105 Ų105145.7 Ų145.787%0.86879%0.791SS**  trans-88.695.1147.300000106.4
106A47.1Very low45.1Very low68 Ų68147.2 Ų147.256%0.56279%0.79SS**  trans-60.9154.6161.200000109.5P104P104-A106 PolarHBondContact O-N 3.42Å
107N43.4Very low44.6Very low146 Ų146143.6 Ų143.678%0.78178%0.781SS**  trans100.8119.3177.8-56.1-32.7000112.5
108L43.8Very low44.5Very low149 Ų149138.5 Ų138.578%0.7877%0.771SS**  cis-167.3113.316.8-126.981.3000103.5
109D43.8Very low44.3Very low149 Ų149140.2 Ų140.280%0.79777%0.768SS**  18.7110.2103.6-161.820.2000116.3
110A42.1Very low44.5Very low90 Ų90135.9 Ų135.974%0.74476%0.763SS**  trans-179.9113.8137.800000109.9
111D46Very low44.4Very low158 Ų158138.1 Ų138.185%0.84577%0.769SS**  trans-52.4129.8154.8-76-45.6000109.5
112D42.2Very low44.4Very low141 Ų141139.1 Ų139.175%0.75478%0.775SS**  trans-115.5100.8169.4-170.725000110.4
113P53.3Low44.4Very low97 Ų97135.7 Ų135.763%0.6377%0.773SS**  trans-102.2111162.733.6-21.3000110
114L45.1Very low44.5Very low150 Ų150137.2 Ų137.279%0.78578%0.776SS**  trans-132.793.4162.3-114.493.1000107.5
115T39.7Very low44.5Very low128 Ų128141.6 Ų141.679%0.78579%0.788SS**  49.9121.780.6-4.60000114.5
116D41.1Very low45Very low145 Ų145144.1 Ų144.178%0.77579%0.787SS**  trans-61.6156.5172.7-1468.7000112.1
117D41.1Very low44.8Very low130 Ų130146.1 Ų146.170%0.69580%0.796SS**  trans76.1128.1156.1-104.54.9000122.4
118D44.1Very low45.2Very low128 Ų128146.3 Ų146.368%0.68480%0.797SS**  trans101.1122.7138.2-65.4-33.9000122.4
119E41.5Very low45.4Very low170 Ų170144.1 Ų144.179%0.79479%0.786SS**  trans93.897.1145.5-69.3172.1-165.700120.3
120D46.4Very low45.9Very low155 Ų155144.3 Ų144.383%0.82979%0.787SS**  40.8114.7122-61.3-34.1000120
121E43.9Very low46.6Very low200 Ų200146 Ų14694%0.93578%0.784SS**  trans-146.2115.3148.2-124176.4-167.300111.5
122D46.7Very low47.2Very low150 Ų150142.8 Ų142.880%0.80277%0.77SS**  trans-63.3140.2177.1-68.7-56.7000112.7
123S45.1Very low48.2Very low126 Ų126139.5 Ų139.588%0.88176%0.763SS**  trans-143.1107161.3-73.60000109.4
124E49.7Very low48.8Very low194 Ų194138.2 Ų138.291%0.90776%0.76SS**  trans-78.2127.9177.2-58.1-154.1176.800111.4
125E46.1Very low49.5Very low194 Ų194136.1 Ų136.191%0.90775%0.749SS**  trans-134.7122.8158.9-165.7163.6-162.500109.5S127E125-S127 PolarHBondContact O-N 3.07Å
126D52.3Low50.8Low159 Ų159135.3 Ų135.385%0.8574%0.739SS**  trans-62.4113.9-176.618030.2000112
127S44Very low52.3Low109 Ų109131.4 Ų131.476%0.76273%0.727SS**  trans-153103160.9-173.60000110.7E125 D129E125-S127 PolarHBondContact O-N 3.07Å; S127-D129 PolarHBondContact O-N 2.89Å
128D51Low53.7Low150 Ų150131.2 Ų131.280%0.80272%0.722SS**  trans-39.6111.3167.5-148.610.9000113
129D47.6Very low54.7Low103 Ų103128.8 Ų128.855%0.55171%0.709SS**  trans-161.999.4157.7-150.521.7000111.5S127 D131 T132S127-D129 PolarHBondContact O-N 2.89Å; D129-D131 PolarHBondContact O-N 3.3Å; D129-T132 PolarHBondContact O-N 2.99Å; D129-T132 PolarHBondContact O-OG1 3.02Å
130D55.5Low56.2Low153 Ų153125.2 Ų125.282%0.81870%0.695SS**THydrogen-bonded Turntrans-58.6-6.2-179.8-101.2-26.7000114.6
131D55.8Low57.6Low126 Ų126125.3 Ų125.367%0.67469%0.688SS**THydrogen-bonded Turntrans-90.9-13.7-175-77.9-18.9000114.5D129D129-D131 PolarHBondContact O-N 3.3Å
132T58.9Low58.8Low90 Ų90119 Ų11955%0.55266%0.661SS**Hα-helixtrans-81.9-33.1-175.257.30000113.9D129 L135D129-T132 PolarHBondContact O-N 2.99Å; D129-T132 PolarHBondContact O-OG1 3.02Å; T132-L135 PolarHBondContact O-N 2.97Å
133A63.8Low60.1Low72 Ų72118.4 Ų118.460%0.59565%0.651SS**Hα-helixtrans-71.7-32.4-177.700000113.2L135A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 3.43Å
134A65.8Low61.8Low70 Ų70120 Ų12058%0.57964%0.642SS**Hα-helixtrans-66.9-35.6177.400000112.3E138A134-E138 PolarHBondContact O-N 3.06Å
135L58.5Low63.1Low106 Ų106116.9 Ų116.956%0.55563%0.627SS**Hα-helixtrans-75.9-35-173.9-153.9156.4000112.4T132 A133 E138 L139T132-L135 PolarHBondContact O-N 2.97Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 3.43Å; L135-E138 PolarHBondContact O-N 3.49Å; L135-L139 HydrophobicContact CD2-CD1 4.13Å; L135-L139 HydrophobicContact CD2-CG 4.39Å; L135-L139 PolarHBondContact O-N 3.07Å
136L68Low64.5Low111 Ų111116.1 Ų116.158%0.58162%0.616SS**Hα-helixtrans-68.3-38.8174.9-70.5172000112.4E138 L139 D140L136-E138 VanDerWaalsContact C-N 3.3Å; L136-E138 PolarHBondContact O-N 2.95Å; L136-L139 PolarHBondContact O-N 3.31Å; L136-D140 PolarHBondContact O-N 2.59Å
137A73.5Confident65.6Low63 Ų63111.2 Ų111.252%0.52160%0.598SS.*Hα-helixtrans-65.8-32.4175.200000112.7K141A137-K141 PolarHBondContact O-N 3.06Å
138E68.7Low67.2Low127 Ų127112.6 Ų112.659%0.59359%0.592SS**Hα-helixtrans-72.2-39.2173.8-168.6171-17400111.8A134 L135 L136 D140 K141 I142A134-E138 PolarHBondContact O-N 3.06Å; L135-E138 PolarHBondContact O-N 3.49Å; L136-E138 VanDerWaalsContact C-N 3.3Å; L136-E138 PolarHBondContact O-N 2.95Å; E138-D140 PolarHBondContact O-N 2.77Å; E138-K141 PolarHBondContact O-N 2.87Å; E138-I142 HydrophobicContact CG-CD1 4.24Å; E138-I142 VanDerWaalsContact O-CG1 3.31Å; E138-I142 WeakPolarHBondContact O-CG1 3.1Å; E138-I142 PolarHBondContact O-N 3.31Å
139L66.1Low68.3Low76 Ų76111 Ų11140%0.39858%0.58SS.*Hα-helixtrans-63.2-39.7174.3-81.9176.3000112.9L135 L136 K141 I142 K143L135-L139 HydrophobicContact CD2-CD1 4.13Å; L135-L139 HydrophobicContact CD2-CG 4.39Å; L135-L139 PolarHBondContact O-N 3.07Å; L136-L139 PolarHBondContact O-N 3.31Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-I142 PolarHBondContact O-N 3.09Å; L139-K143 WeakPolarHBondContact O-CG 3.31Å; L139-K143 PolarHBondContact O-N 3.08Å
140D73.3Confident69.8Low96 Ų96111.6 Ų111.651%0.51358%0.579SS.*Hα-helixtrans-70.3-32.9178.2-71.8-18.8000112.1L136 E138 K143 K144L136-D140 PolarHBondContact O-N 2.59Å; E138-D140 PolarHBondContact O-N 2.77Å; D140-K143 PolarHBondContact O-N 2.88Å; D140-K143 IonicContact OD1-NZ 2.71Å; D140-K144 WeakPolarHBondContact O-CB 3.48Å; D140-K144 PolarHBondContact O-N 3.43Å
141K74.6Confident70.9Confident156 Ų156111 Ų11168%0.67857%0.571SS**Hα-helixtrans-65.1-42.5171-164.2176.3179.8-176.30111.7A137 E138 L139 K144 E145A137-K141 PolarHBondContact O-N 3.06Å; E138-K141 PolarHBondContact O-N 2.87Å; L139-K141 VanDerWaalsContact C-N 3.33Å; K141-K144 PolarHBondContact O-N 3.16Å; K141-E145 WeakPolarHBondContact O-CB 3.25Å; K141-E145 PolarHBondContact O-N 3.25Å
142I69.6Low72.2Confident69 Ų69112.9 Ų112.935%0.35457%0.569SS.*Hα-helixtrans-66.7-39.8176.7-67.8166.1000111.6E138 L139 R146E138-I142 HydrophobicContact CG-CD1 4.24Å; E138-I142 VanDerWaalsContact O-CG1 3.31Å; E138-I142 WeakPolarHBondContact O-CG1 3.1Å; E138-I142 PolarHBondContact O-N 3.31Å; L139-I142 PolarHBondContact O-N 3.09Å; I142-R146 WeakPolarHBondContact O-CB 3.35Å; I142-R146 PolarHBondContact O-N 3.22Å
143K74.4Confident73.3Confident137 Ų137114.9 Ų114.960%0.59657%0.57SS**Hα-helixtrans-64.9-42.5176.2-75.7174-174167.30111.6L139 D140 R146 A147L139-K143 WeakPolarHBondContact O-CG 3.31Å; L139-K143 PolarHBondContact O-N 3.08Å; D140-K143 PolarHBondContact O-N 2.88Å; D140-K143 IonicContact OD1-NZ 2.71Å; K143-R146 PolarHBondContact O-N 2.72Å; K143-A147 WeakPolarHBondContact O-CB 3.42Å; K143-A147 PolarHBondContact O-N 2.77Å
144K79.8Confident74Confident158 Ų158116.8 Ų116.869%0.68757%0.567SS**Hα-helixtrans-66-41.9177.7-170.4173.7-178.3175.70112D140 K141 A147 E148D140-K144 WeakPolarHBondContact O-CB 3.48Å; D140-K144 PolarHBondContact O-N 3.43Å; K141-K144 PolarHBondContact O-N 3.16Å; K144-A147 PolarHBondContact O-N 2.72Å; K144-E148 PolarHBondContact O-N 2.77Å; K144-E148 VanDerWaalsContact O-N 3.09Å
145E77.3Confident74.7Confident130 Ų130123.1 Ų123.161%0.60758%0.576SS**Hα-helixtrans-64.4-42.6175.9-173.8177.3-177.900112K141 E148 E149K141-E145 WeakPolarHBondContact O-CB 3.25Å; K141-E145 PolarHBondContact O-N 3.25Å; E145-E148 PolarHBondContact O-N 2.93Å; E145-E149 PolarHBondContact O-N 3.27Å
146R75.3Confident75.8Confident177 Ų177124.2 Ų124.267%0.66858%0.578SS**Hα-helixtrans-65-39.6174.5-95.3-168.2-167.8152.97.2113.4I142 K143 E148 E149 Q150I142-R146 WeakPolarHBondContact O-CB 3.35Å; I142-R146 PolarHBondContact O-N 3.22Å; K143-R146 PolarHBondContact O-N 2.72Å; R146-E148 VanDerWaalsContact C-N 3.33Å; R146-E149 PolarHBondContact O-N 3.16Å; R146-Q150 VanDerWaalsContact O-CB 3.28Å; R146-Q150 WeakPolarHBondContact O-CB 3.35Å; R146-Q150 PolarHBondContact O-N 2.71Å
147A75.3Confident76.4Confident57 Ų57123.6 Ų123.647%0.47157%0.572SS.*Hα-helixtrans-64.1-41.1178.700000111K143 K144 Q150 E151K143-A147 WeakPolarHBondContact O-CB 3.42Å; K143-A147 PolarHBondContact O-N 2.77Å; K144-A147 PolarHBondContact O-N 2.72Å; A147-Q150 PolarHBondContact O-N 2.76Å; A147-E151 WeakPolarHBondContact O-CB 3.29Å; A147-E151 PolarHBondContact O-N 3Å
148E77.9Confident76.9Confident137 Ų137126.9 Ų126.964%0.6458%0.575SS**Hα-helixtrans-68.2-39.2177.1-171.2174.1-174.200112.3K144 E145 R146 R152K144-E148 PolarHBondContact O-N 2.77Å; K144-E148 VanDerWaalsContact O-N 3.09Å; E145-E148 PolarHBondContact O-N 2.93Å; R146-E148 VanDerWaalsContact C-N 3.33Å; E148-R152 WeakPolarHBondContact O-CB 3.27Å; E148-R152 PolarHBondContact O-N 3.04Å
149E75.3Confident77.6Confident116 Ų116123.6 Ų123.654%0.54257%0.57SS.*Hα-helixtrans-66.4-39.2174.4-171.5176.9-154.700112E145 R146 R152 K153E145-E149 PolarHBondContact O-N 3.27Å; R146-E149 PolarHBondContact O-N 3.16Å; E149-R152 PolarHBondContact O-N 3.2Å; E149-K153 WeakPolarHBondContact O-CB 3.47Å; E149-K153 PolarHBondContact O-N 3.03Å
150Q78.4Confident78.4Confident117 Ų117125.1 Ų125.155%0.54757%0.574SS.*Hα-helixtrans-66.8-43177.3-169.9172.4-15.300111.4R146 A147 R152 K153 E154R146-Q150 VanDerWaalsContact O-CB 3.28Å; R146-Q150 WeakPolarHBondContact O-CB 3.35Å; R146-Q150 PolarHBondContact O-N 2.71Å; A147-Q150 PolarHBondContact O-N 2.76Å; Q150-R152 PolarHBondContact O-N 3.44Å; Q150-K153 PolarHBondContact O-N 3.15Å; Q150-E154 PolarHBondContact NE2-OE1 3.44Å; Q150-E154 WeakPolarHBondContact O-CB 3.28Å; Q150-E154 WeakPolarHBondContact O-CG 3.25Å; Q150-E154 PolarHBondContact O-N 2.79Å
151E79.8Confident78.7Confident139 Ų139126.7 Ų126.765%0.6558%0.579SS**Hα-helixtrans-62.8-41.3174.9-170.4-177.1171.400111.6A147 K153 E154 R155A147-E151 WeakPolarHBondContact O-CB 3.29Å; A147-E151 PolarHBondContact O-N 3Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.18Å; E151-E154 PolarHBondContact O-N 3.42Å; E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 PolarHBondContact O-N 2.93Å
152R81.9Confident79Confident167 Ų167124.4 Ų124.463%0.6357%0.571SS**Hα-helixtrans-60.9-42.8174.9-164.7-175.581.2-155.4-1.8111.5E148 E149 Q150 R155 E156E148-R152 WeakPolarHBondContact O-CB 3.27Å; E148-R152 PolarHBondContact O-N 3.04Å; E149-R152 PolarHBondContact O-N 3.2Å; Q150-R152 PolarHBondContact O-N 3.44Å; R152-R155 PolarHBondContact O-N 2.77Å; R152-E156 PolarHBondContact O-N 3.12Å; R152-E156 VanDerWaalsContact O-N 3.13Å
153K81.3Confident79.6Confident131 Ų131128.4 Ų128.457%0.5758%0.581SS**Hα-helixtrans-71-36.2-179.7-168.1-178177.7177.70112.6E149 Q150 E151 E156 Q157E149-K153 WeakPolarHBondContact O-CB 3.47Å; E149-K153 PolarHBondContact O-N 3.03Å; Q150-K153 PolarHBondContact O-N 3.15Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.18Å; K153-E156 PolarHBondContact O-N 2.81Å; K153-Q157 WeakPolarHBondContact O-CG 3.35Å; K153-Q157 PolarHBondContact O-N 3.28Å
154E80.4Confident80Confident113 Ų113125.8 Ų125.853%0.52857%0.573SS.*Hα-helixtrans-68.2-37.2174.8-76.2178-168.600111.6Q150 E151 Q157 K158Q150-E154 PolarHBondContact NE2-OE1 3.44Å; Q150-E154 WeakPolarHBondContact O-CB 3.28Å; Q150-E154 WeakPolarHBondContact O-CG 3.25Å; Q150-E154 PolarHBondContact O-N 2.79Å; E151-E154 PolarHBondContact O-N 3.42Å; E154-Q157 PolarHBondContact O-N 2.87Å; E154-K158 WeakPolarHBondContact O-CB 3.11Å; E154-K158 PolarHBondContact O-N 3.1Å
155R80Confident80Confident203 Ų203126.9 Ų126.977%0.76657%0.573SS**Hα-helixtrans-65.2-38.7174.2-169.4174.7-178.2162.10.6112.7E151 R152 A159E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 PolarHBondContact O-N 2.93Å; R152-R155 PolarHBondContact O-N 2.77Å; R155-A159 PolarHBondContact O-N 3.33Å; R155-A159 VanDerWaalsContact O-N 3.16Å
156E81.1Confident79.8Confident129 Ų129126.6 Ų126.660%0.60357%0.573SS**Hα-helixtrans-68.2-45176-169.5172.2-168.200111.7R152 K153 K158 A159 E160R152-E156 PolarHBondContact O-N 3.12Å; R152-E156 VanDerWaalsContact O-N 3.13Å; K153-E156 PolarHBondContact O-N 2.81Å; E156-K158 PolarHBondContact O-N 3.09Å; E156-A159 PolarHBondContact O-N 3.14Å; E156-E160 PolarHBondContact O-N 2.95Å
157Q80.7Confident80Confident97 Ų97123.5 Ų123.545%0.45357%0.566SS.*Hα-helixtrans-60.9-43.2175.6-76.3178.562.300112.2K153 E154 A159 E160 E161K153-Q157 WeakPolarHBondContact O-CG 3.35Å; K153-Q157 PolarHBondContact O-N 3.28Å; E154-Q157 PolarHBondContact O-N 2.87Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 3.06Å; Q157-E160 PolarHBondContact O-N 2.62Å; Q157-E161 WeakPolarHBondContact O-CG 3.21Å; Q157-E161 PolarHBondContact O-N 2.84Å
158K83.4Confident80Confident132 Ų132125.7 Ų125.757%0.57457%0.57SS**Hα-helixtrans-62.9-37.8177.4-171.1176.1-1801790112.3E154 E156 E162E154-K158 WeakPolarHBondContact O-CB 3.11Å; E154-K158 PolarHBondContact O-N 3.1Å; E156-K158 PolarHBondContact O-N 3.09Å; K158-E162 WeakPolarHBondContact O-CB 3.32Å; K158-E162 WeakPolarHBondContact O-CG 3.43Å; K158-E162 PolarHBondContact O-N 3.43Å
159A85Confident79.8Confident59 Ų59125 Ų12549%0.48857%0.569SS.*Hα-helixtrans-67.2-38175.500000112.1R155 E156 Q157 E162 R163R155-A159 PolarHBondContact O-N 3.33Å; R155-A159 VanDerWaalsContact O-N 3.16Å; E156-A159 PolarHBondContact O-N 3.14Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 3.06Å; A159-E162 PolarHBondContact O-N 3.46Å; A159-R163 PolarHBondContact O-N 3.3Å
160E81.6Confident79.4Confident107 Ų107126.7 Ų126.750%0.558%0.581SS.*Hα-helixtrans-71.1-39.3177.2-167.8148-144.600112.1E156 Q157 R163 I164E156-E160 PolarHBondContact O-N 2.95Å; Q157-E160 PolarHBondContact O-N 2.62Å; E160-R163 WeakPolarHBondContact O-CB 3.22Å; E160-R163 PolarHBondContact O-N 2.74Å; E160-I164 HydrophobicContact CG-CD1 4.28Å; E160-I164 WeakPolarHBondContact O-CG1 3.07Å; E160-I164 PolarHBondContact O-N 3.13Å
161E80.9Confident78.8Confident130 Ų130124.2 Ų124.261%0.60758%0.577SS**Hα-helixtrans-61.6-41.9171.5-74.5-177.1175.800112.2Q157 R163 I164 R165Q157-E161 WeakPolarHBondContact O-CG 3.21Å; Q157-E161 PolarHBondContact O-N 2.84Å; E161-R163 VanDerWaalsContact C-N 3.32Å; E161-R163 PolarHBondContact O-N 3.03Å; E161-I164 PolarHBondContact O-N 3.24Å; E161-R165 VanDerWaalsContact O-CB 3.26Å; E161-R165 WeakPolarHBondContact O-CB 3.44Å; E161-R165 PolarHBondContact O-N 3.12Å
162E79.8Confident78.2Confident108 Ų108120.2 Ų120.251%0.50557%0.573SS.*Hα-helixtrans-64.5-36.4173.9-77.7-178.4-17600112K158 A159 R165 M166K158-E162 WeakPolarHBondContact O-CB 3.32Å; K158-E162 WeakPolarHBondContact O-CG 3.43Å; K158-E162 PolarHBondContact O-N 3.43Å; A159-E162 PolarHBondContact O-N 3.46Å; E162-R165 PolarHBondContact O-N 3.04Å; E162-M166 WeakPolarHBondContact O-CG 3.49Å; E162-M166 PolarHBondContact O-N 3.15Å
163R82.8Confident77.6Confident152 Ų152115.5 Ų115.557%0.57456%0.56SS**Hα-helixtrans-65.9-46175.3-155.5-169.891176.53.5112A159 E160 E161 R165 M166 E167A159-R163 PolarHBondContact O-N 3.3Å; E160-R163 WeakPolarHBondContact O-CB 3.22Å; E160-R163 PolarHBondContact O-N 2.74Å; E161-R163 VanDerWaalsContact C-N 3.32Å; E161-R163 PolarHBondContact O-N 3.03Å; R163-R165 VanDerWaalsContact C-N 3.3Å; R163-R165 PolarHBondContact O-N 3.43Å; R163-M166 PolarHBondContact O-N 3.42Å; R163-E167 WeakPolarHBondContact O-CB 3.31Å; R163-E167 PolarHBondContact O-N 3.21Å
164I81.8Confident77.1Confident83 Ų83113.9 Ų113.943%0.42656%0.563SS.*Hα-helixtrans-63.8-38.7176.2-66164.2000110.2E160 E161 E167 N168E160-I164 HydrophobicContact CG-CD1 4.28Å; E160-I164 WeakPolarHBondContact O-CG1 3.07Å; E160-I164 PolarHBondContact O-N 3.13Å; E161-I164 PolarHBondContact O-N 3.24Å; I164-E167 PolarHBondContact O-N 2.86Å; I164-N168 WeakPolarHBondContact O-CB 3.4Å; I164-N168 PolarHBondContact O-N 3.34Å
165R79.6Confident76.2Confident181 Ų181114.9 Ų114.968%0.68357%0.571SS**Hα-helixtrans-63.1-43.1175.7-171.3178.1-178.2-172.41111.6E161 E162 R163 I169E161-R165 VanDerWaalsContact O-CB 3.26Å; E161-R165 WeakPolarHBondContact O-CB 3.44Å; E161-R165 PolarHBondContact O-N 3.12Å; E162-R165 PolarHBondContact O-N 3.04Å; R163-R165 VanDerWaalsContact C-N 3.3Å; R163-R165 PolarHBondContact O-N 3.43Å; R165-I169 HydrophobicContact CG-CD1 4.15Å; R165-I169 WeakPolarHBondContact O-CD1 3.39Å; R165-I169 VanDerWaalsContact O-CG1 3.22Å; R165-I169 WeakPolarHBondContact O-CG1 3.25Å; R165-I169 PolarHBondContact O-N 2.93Å
166M74.3Confident75.3Confident123 Ų123110.5 Ų110.561%0.60656%0.562SS**Hα-helixtrans-66-40.6174.5-74.7-169.2-69.300112.2E162 R163 I169 L170E162-M166 WeakPolarHBondContact O-CG 3.49Å; E162-M166 PolarHBondContact O-N 3.15Å; R163-M166 PolarHBondContact O-N 3.42Å; M166-I169 PolarHBondContact O-N 3.49Å; M166-L170 WeakPolarHBondContact O-CB 3.46Å; M166-L170 PolarHBondContact O-N 2.84Å
167E78.4Confident74.3Confident112 Ų112109.6 Ų109.652%0.52356%0.561SS.*Hα-helixtrans-63.7-41.2176.8-173.9175.8178.900112.1R163 I164 L170 S171R163-E167 WeakPolarHBondContact O-CB 3.31Å; R163-E167 PolarHBondContact O-N 3.21Å; I164-E167 PolarHBondContact O-N 2.86Å; E167-L170 PolarHBondContact O-N 2.94Å; E167-S171 VanDerWaalsContact O-CB 3.3Å; E167-S171 WeakPolarHBondContact O-CB 3.41Å; E167-S171 PolarHBondContact O-N 3.33Å; E167-S171 PolarHBondContact O-OG 3.24Å
168N76.8Confident73.1Confident104 Ų104109.3 Ų109.356%0.55656%0.562SS**Hα-helixtrans-68.2-33.9174.3-86.1-16.1000112.9I164 G172I164-N168 WeakPolarHBondContact O-CB 3.4Å; I164-N168 PolarHBondContact O-N 3.34Å; N168-G172 WeakPolarHBondContact O-CA 3.46Å; N168-G172 PolarHBondContact O-N 3.45Å
169I72.5Confident71.7Confident121 Ų121106.1 Ų106.162%0.62156%0.56SS**Hα-helixtrans-69-38.1173.5-69.6165000110.5R165 M166R165-I169 HydrophobicContact CG-CD1 4.15Å; R165-I169 WeakPolarHBondContact O-CD1 3.39Å; R165-I169 VanDerWaalsContact O-CG1 3.22Å; R165-I169 WeakPolarHBondContact O-CG1 3.25Å; R165-I169 PolarHBondContact O-N 2.93Å; M166-I169 PolarHBondContact O-N 3.49Å
170L66.1Low70.2Confident153 Ų153106.6 Ų106.680%0.80157%0.571SS**Hα-helixtrans-73.6-39.7-179.8-148.382.2000112.5M166 E167M166-L170 WeakPolarHBondContact O-CB 3.46Å; M166-L170 PolarHBondContact O-N 2.84Å; E167-L170 PolarHBondContact O-N 2.94Å
171S66.7Low68.8Low64 Ų64109.1 Ų109.145%0.44858%0.583SS.*Hα-helixtrans-91.5-19.7-17864.50000114.3E167 N173E167-S171 VanDerWaalsContact O-CB 3.3Å; E167-S171 WeakPolarHBondContact O-CB 3.41Å; E167-S171 PolarHBondContact O-N 3.33Å; E167-S171 PolarHBondContact O-OG 3.24Å; S171-N173 PolarHBondContact O-N 2.93Å
172G67.6Low67.3Low55 Ų55109.2 Ų109.257%0.56758%0.583SS**  trans-795.2-178.500000114.9N168 P174N168-G172 WeakPolarHBondContact O-CA 3.46Å; N168-G172 PolarHBondContact O-N 3.45Å; G172-P174 WeakPolarHBondContact O-CD 3.35Å
173N69.7Low65.9Low69 Ų69113.2 Ų113.237%0.36960%0.602SS.*  trans-93.697.1175.4-166.7-14000111.4S171 L175 I176S171-N173 PolarHBondContact O-N 2.93Å; N173-L175 PolarHBondContact O-N 3.42Å; N173-L175 VanDerWaalsContact O-N 3.13Å; N173-L175 WeakPolarHBondContact OD1-CB 3.32Å; N173-L175 PolarHBondContact OD1-N 3.39Å; N173-I176 PolarHBondContact O-N 3.44Å
174P70.8Confident64.3Low96 Ų96114.5 Ų114.562%0.62361%0.614SS**Hα-helixtrans-68-12.3-176.329.7-37.6000113.9G172 L178G172-P174 WeakPolarHBondContact O-CD 3.35Å; P174-L178 PolarHBondContact O-N 2.87Å
175L60.7Low62.6Low134 Ų134117.7 Ų117.770%0.70263%0.632SS**Hα-helixtrans-73.3-31.9177-70.8168.3000112.4N173 A179N173-L175 PolarHBondContact O-N 3.42Å; N173-L175 VanDerWaalsContact O-N 3.13Å; N173-L175 WeakPolarHBondContact OD1-CB 3.32Å; N173-L175 PolarHBondContact OD1-N 3.39Å; L175-A179 PolarHBondContact O-N 3.5Å
176I61.7Low61.2Low112 Ų112118.6 Ų118.657%0.57465%0.645SS**Hα-helixtrans-74.4-38178.7-70.3-178.5000110.9N173 L178 A179N173-I176 PolarHBondContact O-N 3.44Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 2.94Å; I176-A179 PolarHBondContact O-N 3.22Å
177N59.1Low59.9Low109 Ų109116 Ų11658%0.58364%0.643SS**Hα-helixtrans-73-24.6178.8-67.5-17.2000113.1
178L55.4Low58.8Low91 Ų91119.3 Ų119.348%0.47666%0.658SS.*Hα-helixtrans-83.4-30.4176.1-160.267.9000112.6P174 I176 G180 Q181 Q182P174-L178 PolarHBondContact O-N 2.87Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 2.94Å; L178-G180 VanDerWaalsContact C-N 3.29Å; L178-G180 PolarHBondContact O-N 2.91Å; L178-Q181 PolarHBondContact O-N 2.9Å; L178-Q182 WeakPolarHBondContact O-CG 3.46Å; L178-Q182 PolarHBondContact O-N 3.08Å
179A54.8Low57.4Low65 Ų65121.7 Ų121.754%0.53767%0.671SS.*Hα-helixtrans-64.4-31.8176.700000112.7L175 I176L175-A179 PolarHBondContact O-N 3.5Å; I176-A179 PolarHBondContact O-N 3.22Å
180G54.1Low56.3Low69 Ų69121 Ų12171%0.71167%0.673SS**THydrogen-bonded Turntrans-71.8-23.2175.600000115L178L178-G180 VanDerWaalsContact C-N 3.29Å; L178-G180 PolarHBondContact O-N 2.91Å
181Q50.5Low55.9Low160 Ų160123.2 Ų123.275%0.74868%0.676SS**THydrogen-bonded Turntrans-96.7-8.4178.4-81.5-173.94.700114L178 Q183L178-Q181 PolarHBondContact O-N 2.9Å; Q181-Q183 VanDerWaalsContact C-N 3.31Å; Q181-Q183 PolarHBondContact O-N 3.24Å
182Q50.1Low55.7Low132 Ų132130.8 Ų130.862%0.61770%0.695SS**THydrogen-bonded Turntrans-79.8-0.9-174.7-86-178.314.300115.5L178L178-Q182 WeakPolarHBondContact O-CG 3.46Å; L178-Q182 PolarHBondContact O-N 3.08Å
183Q51.2Low55.6Low193 Ų193133.9 Ų133.990%0.90270%0.703SS**THydrogen-bonded Turntrans-91.54.9-177.5-112.6167.613.100116Q181Q181-Q183 VanDerWaalsContact C-N 3.31Å; Q181-Q183 PolarHBondContact O-N 3.24Å
184Q48.8Very low55.5Low178 Ų178140 Ų14083%0.83273%0.726SS**SBendtrans-127.69.1-175.5-109.3-178.311.100118.5
185N46.6Very low55.6Low150 Ų150142.7 Ų142.780%0.80272%0.723SS**  trans-153.670.4171.1-101.3-42.5000113.8A187N185-A187 VanDerWaalsContact C-N 3.35Å; N185-A187 PolarHBondContact O-N 3.16Å
186Q48.4Very low56.4Low201 Ų201145.1 Ų145.194%0.93972%0.723SS**  trans-89.573.7157.5-83.5-161.927.500110.2
187A48.3Very low57.5Low69 Ų69150.1 Ų150.157%0.5774%0.735SS**SBendtrans-135101.3163.500000109.5N185 N189N185-A187 VanDerWaalsContact C-N 3.35Å; N185-A187 PolarHBondContact O-N 3.16Å; A187-N189 PolarHBondContact O-N 3.45Å
188Q54.6Low58.6Low180 Ų180148.1 Ų148.184%0.84172%0.724SS**  trans46.376145.4-55.7-68-35.600116.2
189N47.2Very low59.8Low155 Ų155147.8 Ų147.883%0.82972%0.723SS**  trans-128.294.3156-105.3-20.2000109.7A187 F191A187-N189 PolarHBondContact O-N 3.45Å; N189-F191 PolarHBondContact O-N 2.9Å
190T50.6Low61.3Low107 Ų107150.5 Ų150.566%0.65673%0.729SS**  trans-54.1122.8158.758.30000107.6R192T190-R192 PolarHBondContact O-N 3.22Å
191F57.2Low63Low198 Ų198150.6 Ų150.687%0.86872%0.715SS**  trans-73.464.5-176.7-144-94.2000110N189 V193N189-F191 PolarHBondContact O-N 2.9Å; F191-V193 HydrophobicContact CD1-CG2 4.06Å; F191-V193 HydrophobicContact CE1-CG2 4.39Å; F191-V193 PolarHBondContact O-N 3.48Å
192R61.7Low64.8Low223 Ų223149.1 Ų149.184%0.84272%0.717SS**  trans-73.593.9172.5-81.7-177.7159.6-170.7-4.4107.8T190 K194T190-R192 PolarHBondContact O-N 3.22Å; R192-K194 PolarHBondContact O-N 3.27Å
193V65.6Low66.6Low121 Ų121150.1 Ų150.173%0.73372%0.719SS**  trans-58.7102.9170.2-178.80000107.5F191 R195F191-V193 HydrophobicContact CD1-CG2 4.06Å; F191-V193 HydrophobicContact CE1-CG2 4.39Å; F191-V193 PolarHBondContact O-N 3.48Å; V193-R195 PolarHBondContact O-N 2.89Å; V193-R195 VanDerWaalsContact O-N 3.08Å
194K67.8Low68.4Low196 Ų196145.6 Ų145.685%0.85270%0.697SS**  trans-63.8112.8177-122.9163.4-178.6162.80107.2R192 R196R192-K194 PolarHBondContact O-N 3.27Å; K194-R196 PolarHBondContact O-N 3.03Å; K194-R196 VanDerWaalsContact O-N 3.16Å
195R73.8Confident70.1Confident153 Ų153142.6 Ų142.658%0.57769%0.687SS**  trans-54.8122.1177-138.3171.374.993.3-11108V193 D199 D200V193-R195 PolarHBondContact O-N 2.89Å; V193-R195 VanDerWaalsContact O-N 3.08Å; R195-D199 HydrophobicContact CG-CB 4.05Å; R195-D199 WeakPolarHBondContact CG-OD2 3.24Å; R195-D199 IonicContact CZ-OD2 3.89Å; R195-D199 IonicContact NH1-OD2 2.76Å; R195-D199 PolarHBondContact NH1-OD2 3.02Å; R195-D199 VanDerWaalsContact NH1-OD2 3.08Å; R195-D200 IonicContact CZ-OD2 3.83Å; R195-D200 VanDerWaalsContact NH2-CG 3.34Å; R195-D200 IonicContact NH2-OD2 3.98Å; R195-D200 PolarHBondContact NH2-OD2 2.86Å
196R76.6Confident72Confident185 Ų185140.6 Ų140.670%0.69868%0.683SS**  trans-67.7144.7-176.2-53.8178.274.21100.1107.3K194 D198 D199K194-R196 PolarHBondContact O-N 3.03Å; K194-R196 VanDerWaalsContact O-N 3.16Å; R196-D198 PolarHBondContact O-N 2.83Å; R196-D198 VanDerWaalsContact O-N 3.15Å; R196-D199 HydrophobicContact CB-CB 4.33Å; R196-D199 WeakPolarHBondContact O-CB 3.36Å; R196-D199 PolarHBondContact O-N 3.38Å
197W85.2Confident73.7Confident218 Ų218134.3 Ų134.383%0.82667%0.666SS**THydrogen-bonded Turntrans-56.5-31.3176.367.7-84000111.8D199W197-D199 VanDerWaalsContact C-N 3.29Å; W197-D199 PolarHBondContact O-N 3.26Å
198D81.9Confident75.5Confident66 Ų66139.3 Ų139.335%0.35367%0.674SS.*THydrogen-bonded Turntrans-74.8-7.7174.2-71.3-50.3000114.8R196 K204R196-D198 PolarHBondContact O-N 2.83Å; R196-D198 VanDerWaalsContact O-N 3.15Å; D198-K204 PolarHBondContact O-NZ 2.98Å
199D81.4Confident76.8Confident85 Ų85134.1 Ų134.146%0.45567%0.669SS.*THydrogen-bonded Turntrans-73.1-32.8-170.5-164.346.4000111.9R195 R196 W197 V201 K204R195-D199 HydrophobicContact CG-CB 4.05Å; R195-D199 WeakPolarHBondContact CG-OD2 3.24Å; R195-D199 IonicContact CZ-OD2 3.89Å; R195-D199 IonicContact NH1-OD2 2.76Å; R195-D199 PolarHBondContact NH1-OD2 3.02Å; R195-D199 VanDerWaalsContact NH1-OD2 3.08Å; R196-D199 HydrophobicContact CB-CB 4.33Å; R196-D199 WeakPolarHBondContact O-CB 3.36Å; R196-D199 PolarHBondContact O-N 3.38Å; W197-D199 VanDerWaalsContact C-N 3.29Å; W197-D199 PolarHBondContact O-N 3.26Å; D199-V201 VanDerWaalsContact C-N 3.33Å; D199-V201 PolarHBondContact O-N 3.44Å; D199-K204 VanDerWaalsContact C-NZ 3.35Å; D199-K204 PolarHBondContact O-NZ 3.21Å
200D85.6Confident78.5Confident122 Ų122131.2 Ų131.265%0.65266%0.657SS**THydrogen-bonded Turntrans-92.940.3-178.7-146.9-6.5000114.5R195R195-D200 IonicContact CZ-OD2 3.83Å; R195-D200 VanDerWaalsContact NH2-CG 3.34Å; R195-D200 IonicContact NH2-OD2 3.98Å; R195-D200 PolarHBondContact NH2-OD2 2.86Å
201V89.2Confident79.9Confident70 Ų70130 Ų13042%0.42465%0.646SS.*  trans-113.4125.4177-175.40000108.8D199 F203 K204D199-V201 VanDerWaalsContact C-N 3.33Å; D199-V201 PolarHBondContact O-N 3.44Å; V201-F203 WeakPolarHBondContact CG1-O 3.22Å; V201-F203 PolarHBondContact O-N 2.91Å; V201-K204 VanDerWaalsContact N-NZ 3.14Å; V201-K204 WeakPolarHBondContact O-CE 3.09Å; V201-K204 PolarHBondContact O-NZ 3.26Å
202V88.9Confident80.4Confident129 Ų129126.1 Ų126.178%0.78263%0.631SS**SBendtrans-66.4-20.9-174.5-67.60000114.1
203F88Confident80.6Confident153 Ų153119.7 Ų119.767%0.67163%0.626SS**  trans-120.9127.4176.4-61.7-66.4000110.6V201V201-F203 WeakPolarHBondContact CG1-O 3.22Å; V201-F203 PolarHBondContact O-N 2.91Å
204K88.2Confident80.4Confident99 Ų99123.3 Ų123.343%0.4363%0.626SS.*  trans-116.3137.1175.3-53.7-58.9-165.2-145.60109.3D198 D199 V201 C206D198-K204 PolarHBondContact O-NZ 2.98Å; D199-K204 VanDerWaalsContact C-NZ 3.35Å; D199-K204 PolarHBondContact O-NZ 3.21Å; V201-K204 VanDerWaalsContact N-NZ 3.14Å; V201-K204 WeakPolarHBondContact O-CE 3.09Å; V201-K204 PolarHBondContact O-NZ 3.26Å; K204-C206 VanDerWaalsContact C-N 3.29Å; K204-C206 PolarHBondContact O-N 3.35Å; K204-C206 VanDerWaalsContact O-N 3.08Å
205N85.9Confident80.5Confident115 Ų115120.2 Ų120.262%0.61561%0.613SS**  trans56.630.7160.7-64.874.9000116.1A207 K208N205-A207 PolarHBondContact O-N 3.22Å; N205-A207 VanDerWaalsContact O-N 3.09Å; N205-K208 HydrophobicContact CB-CB 3.89Å; N205-K208 HydrophobicContact CB-CD 4.22Å; N205-K208 VanDerWaalsContact O-CB 3.25Å; N205-K208 WeakPolarHBondContact O-CB 3.38Å; N205-K208 PolarHBondContact O-N 3.43Å
206C85.8Confident80.4Confident107 Ų107118.6 Ų118.672%0.72361%0.612SS**THydrogen-bonded Turntrans-57.7-27.7-176-58.30000114.9K204K204-C206 VanDerWaalsContact C-N 3.29Å; K204-C206 PolarHBondContact O-N 3.35Å; K204-C206 VanDerWaalsContact O-N 3.08Å
207A83.8Confident80.7Confident70 Ų70120.1 Ų120.158%0.57962%0.623SS**THydrogen-bonded Turntrans-106.616177.700000113.1N205 G209 V210N205-A207 PolarHBondContact O-N 3.22Å; N205-A207 VanDerWaalsContact O-N 3.09Å; A207-G209 PolarHBondContact O-N 3.32Å; A207-V210 HydrophobicContact CB-CB 4.38Å; A207-V210 HydrophobicContact CB-CG2 4.28Å; A207-V210 PolarHBondContact O-N 2.62Å
208K85.9Confident80.9Confident173 Ų173117.7 Ų117.775%0.75261%0.614SS**THydrogen-bonded Turntrans-65.8113-179.5-174.8-176.5-175-178.90109.5N205N205-K208 HydrophobicContact CB-CB 3.89Å; N205-K208 HydrophobicContact CB-CD 4.22Å; N205-K208 VanDerWaalsContact O-CB 3.25Å; N205-K208 WeakPolarHBondContact O-CB 3.38Å; N205-K208 PolarHBondContact O-N 3.43Å
209G82.6Confident81.5Confident71 Ų71123.1 Ų123.173%0.73264%0.635SS**THydrogen-bonded Turntrans92.51.9-177.600000114.7A207 D211A207-G209 PolarHBondContact O-N 3.32Å; G209-D211 VanDerWaalsContact C-N 3.35Å; G209-D211 PolarHBondContact O-N 2.91Å
210V82.6Confident82.1Confident95 Ų95121.7 Ų121.758%0.57663%0.629SS**  trans-7792.8166.9-1770000107.6A207A207-V210 HydrophobicContact CB-CB 4.38Å; A207-V210 HydrophobicContact CB-CG2 4.28Å; A207-V210 PolarHBondContact O-N 2.62Å
211D79.1Confident82.6Confident80 Ų80123.3 Ų123.343%0.42864%0.638SS.*  trans-93.9105.5173.5-168.9-6.3000108.3G209 A213 R214G209-D211 VanDerWaalsContact C-N 3.35Å; G209-D211 PolarHBondContact O-N 2.91Å; D211-A213 PolarHBondContact O-N 2.69Å; D211-A213 VanDerWaalsContact O-N 3.16Å; D211-A213 VanDerWaalsContact OD1-CB 3.25Å; D211-A213 WeakPolarHBondContact OD1-CB 3.47Å; D211-A213 PolarHBondContact OD1-N 3.47Å; D211-A213 VanDerWaalsContact OD1-N 3.1Å; D211-R214 HydrophobicContact CB-CB 4.21Å; D211-R214 HydrophobicContact CB-CG 3.79Å; D211-R214 WeakPolarHBondContact O-CA 3.44Å; D211-R214 WeakPolarHBondContact O-CB 3.33Å; D211-R214 PolarHBondContact O-N 3.41Å; D211-R214 IonicContact OD2-NE 2.8Å
212E69.4Low82.9Confident117 Ų117122 Ų12255%0.54763%0.628SS.*G310 helixtrans-57.3-25.2176.3-73.1-71.8144.200111.8R214 K215E212-R214 PolarHBondContact O-N 3.38Å; E212-K215 VanDerWaalsContact CD-CE 3.44Å; E212-K215 WeakPolarHBondContact O-CB 3.27Å; E212-K215 PolarHBondContact O-N 3.34Å; E212-K215 WeakPolarHBondContact OE1-CE 3.31Å; E212-K215 IonicContact OE1-NZ 3.15Å; E212-K215 PolarHBondContact OE1-NZ 3.09Å; E212-K215 VanDerWaalsContact OE2-CD 3.32Å; E212-K215 WeakPolarHBondContact OE2-CD 3.41Å; E212-K215 WeakPolarHBondContact OE2-CE 3.12Å; E212-K215 IonicContact OE2-NZ 2.72Å; E212-K215 PolarHBondContact OE2-NZ 3.02Å
213A65.3Low83.2Confident89 Ų89121.5 Ų121.574%0.73663%0.626SS**G310 helixtrans-71.4-19.2173.900000113.1D211D211-A213 PolarHBondContact O-N 2.69Å; D211-A213 VanDerWaalsContact O-N 3.16Å; D211-A213 VanDerWaalsContact OD1-CB 3.25Å; D211-A213 WeakPolarHBondContact OD1-CB 3.47Å; D211-A213 PolarHBondContact OD1-N 3.47Å; D211-A213 VanDerWaalsContact OD1-N 3.1Å
214R62.1Low83.6Confident196 Ų196119.5 Ų119.574%0.7462%0.621SS**G310 helixtrans-87.5-0174.1-65.4-177-177-157.8-5.8113.6D211 E212 E216D211-R214 HydrophobicContact CB-CB 4.21Å; D211-R214 HydrophobicContact CB-CG 3.79Å; D211-R214 WeakPolarHBondContact O-CA 3.44Å; D211-R214 WeakPolarHBondContact O-CB 3.33Å; D211-R214 PolarHBondContact O-N 3.41Å; D211-R214 IonicContact OD2-NE 2.8Å; E212-R214 PolarHBondContact O-N 3.38Å; R214-E216 PolarHBondContact O-N 3.19Å
215K69.5Low83.8Confident132 Ų132122.8 Ų122.857%0.57463%0.631SS**SBendtrans-63.5106.5168.9-74.6-177179.51690107.8E212 K217E212-K215 VanDerWaalsContact CD-CE 3.44Å; E212-K215 WeakPolarHBondContact O-CB 3.27Å; E212-K215 PolarHBondContact O-N 3.34Å; E212-K215 WeakPolarHBondContact OE1-CE 3.31Å; E212-K215 IonicContact OE1-NZ 3.15Å; E212-K215 PolarHBondContact OE1-NZ 3.09Å; E212-K215 VanDerWaalsContact OE2-CD 3.32Å; E212-K215 WeakPolarHBondContact OE2-CD 3.41Å; E212-K215 WeakPolarHBondContact OE2-CE 3.12Å; E212-K215 IonicContact OE2-NZ 2.72Å; E212-K215 PolarHBondContact OE2-NZ 3.02Å; K215-K217 PolarHBondContact O-N 3.39Å
216E71.8Confident84.3Confident119 Ų119118.4 Ų118.456%0.55661%0.61SS**  trans-50.2129.9178.3-70.8171-15400109.9R214 R218R214-E216 PolarHBondContact O-N 3.19Å; E216-R218 HydrophobicContact CB-CG 3.91Å; E216-R218 PolarHBondContact O-N 2.99Å; E216-R218 IonicContact OE1-NH2 3.98Å; E216-R218 PolarHBondContact OE1-NH2 3.05Å; E216-R218 IonicContact OE2-CZ 2.62Å; E216-R218 IonicContact OE2-NE 2.74Å; E216-R218 PolarHBondContact OE2-NE 3.21Å; E216-R218 IonicContact OE2-NH2 2.81Å; E216-R218 PolarHBondContact OE2-NH2 2.84Å
217K83.4Confident84.5Confident216 Ų216117.7 Ų117.794%0.93960%0.596SS**  trans-70.778.8174.9-63.8176.2-174.7173.60108.8K215K215-K217 PolarHBondContact O-N 3.39Å
218R89.2Confident85.1Confident168 Ų168121.7 Ų121.763%0.63460%0.6SS**  trans-86.7128.1179.9-66.5175.5-178.5162-0.2109.7E216E216-R218 HydrophobicContact CB-CG 3.91Å; E216-R218 PolarHBondContact O-N 2.99Å; E216-R218 IonicContact OE1-NH2 3.98Å; E216-R218 PolarHBondContact OE1-NH2 3.05Å; E216-R218 IonicContact OE2-CZ 2.62Å; E216-R218 IonicContact OE2-NE 2.74Å; E216-R218 PolarHBondContact OE2-NE 3.21Å; E216-R218 IonicContact OE2-NH2 2.81Å; E216-R218 PolarHBondContact OE2-NH2 2.84Å
219F92.9Very high85.5Confident179 Ų179115.6 Ų115.679%0.78557%0.574SS**  trans-92.8128.8165.1179.5-100.1000109N221F219-N221 HydrophobicContact CE1-CB 4.13Å
220V94.7Very high86.1Confident55 Ų55117.1 Ų117.133%0.33356%0.561SS.*  trans-118.3119.8177-172.70000107.9D222V220-D222 HydrophobicContact CG1-CB 3.77Å; V220-D222 PolarHBondContact O-N 2.93Å
221N95.9Very high86.6Confident157 Ų157119 Ų11984%0.8456%0.561SS**SBendtrans-79.260174-169.217.1000110.9F219F219-N221 HydrophobicContact CE1-CB 4.13Å
222D96Very high87.5Confident42 Ų42119.5 Ų119.523%0.22556%0.56CS.*  trans-148.3123178.1-177.6-31.2000108V220 L224 R225 S226V220-D222 HydrophobicContact CG1-CB 3.77Å; V220-D222 PolarHBondContact O-N 2.93Å; D222-L224 VanDerWaalsContact C-N 3.26Å; D222-L224 PolarHBondContact O-N 2.71Å; D222-L224 PolarHBondContact OD1-N 2.85Å; D222-R225 HydrophobicContact CB-CB 4.11Å; D222-R225 PolarHBondContact OD1-N 2.97Å; D222-R225 VanDerWaalsContact OD1-N 3.13Å; D222-R225 VanDerWaalsContact OD2-CD 3.28Å; D222-R225 WeakPolarHBondContact OD2-CD 3.28Å; D222-R225 VanDerWaalsContact OD2-CG 3.29Å; D222-R225 WeakPolarHBondContact OD2-CG 3.38Å; D222-R225 IonicContact OD2-CZ 3.14Å; D222-R225 IonicContact OD2-NE 2.62Å; D222-R225 IonicContact OD2-NH1 2.91Å; D222-R225 PolarHBondContact OD2-NH1 3.19Å; D222-S226 WeakPolarHBondContact O-CB 3.41Å; D222-S226 PolarHBondContact O-N 3.31Å; D222-S226 VanDerWaalsContact O-N 3.09Å
223T95.4Very high88.8Confident119 Ų119117.2 Ų117.273%0.7355%0.55SS**THydrogen-bonded Turntrans-71.3-17.6-175.253.80000113.9H229T223-H229 WeakPolarHBondContact O-CB 3.46Å; T223-H229 PolarHBondContact O-ND1 2.84Å; T223-H229 VanDerWaalsContact O-ND1 3.16Å
224L95.2Very high90.3Very high110 Ų110120.5 Ų120.558%0.57655%0.55SS**THydrogen-bonded Turntrans-104.5-33.3-179.1-60.5-179.4000112.3D222 H229D222-L224 VanDerWaalsContact C-N 3.26Å; D222-L224 PolarHBondContact O-N 2.71Å; D222-L224 PolarHBondContact OD1-N 2.85Å; L224-H229 PolarHBondContact O-CD2 3.07Å; L224-H229 VanDerWaalsContact O-CD2 3.24Å
225R93.9Very high92Very high168 Ų168118.5 Ų118.563%0.63455%0.547SS*.THydrogen-bonded Turntrans-95.2-9.7-177.4-61.3-174.8-178.987-0.8114.1D222 K230D222-R225 HydrophobicContact CB-CB 4.11Å; D222-R225 PolarHBondContact OD1-N 2.97Å; D222-R225 VanDerWaalsContact OD1-N 3.13Å; D222-R225 VanDerWaalsContact OD2-CD 3.28Å; D222-R225 WeakPolarHBondContact OD2-CD 3.28Å; D222-R225 VanDerWaalsContact OD2-CG 3.29Å; D222-R225 WeakPolarHBondContact OD2-CG 3.38Å; D222-R225 IonicContact OD2-CZ 3.14Å; D222-R225 IonicContact OD2-NE 2.62Å; D222-R225 IonicContact OD2-NH1 2.91Å; D222-R225 PolarHBondContact OD2-NH1 3.19Å; R225-K230 WeakPolarHBondContact O-CE 3.42Å
226S94.8Very high93.3Very high24 Ų24119.2 Ų119.217%0.16855%0.547CS..SBendtrans-58141.9172.9175.60000111.2D222 F228 H229 K230D222-S226 WeakPolarHBondContact O-CB 3.41Å; D222-S226 PolarHBondContact O-N 3.31Å; D222-S226 VanDerWaalsContact O-N 3.09Å; S226-F228 PolarHBondContact O-N 2.99Å; S226-F228 VanDerWaalsContact O-N 3.14Å; S226-F228 PolarHBondContact OG-N 3.31Å; S226-H229 PolarHBondContact O-N 3.45Å; S226-K230 PolarHBondContact O-N 3.07Å
227E91.9Very high94.3Very high91 Ų91118.1 Ų118.143%0.42555%0.548SS..Hα-helixtrans-55.7-28.7172.8-65.8-57.9124.300111.8K230 K231E227-K230 IonicContact OE1-NZ 3.31Å; E227-K230 PolarHBondContact OE1-NZ 2.97Å; E227-K231 WeakPolarHBondContact O-CB 3.47Å; E227-K231 VanDerWaalsContact O-CG 3.24Å; E227-K231 WeakPolarHBondContact O-CG 3.21Å; E227-K231 PolarHBondContact O-N 3.08Å; E227-K231 VanDerWaalsContact O-N 3.08Å
228F94.8Very high94.3Very high155 Ų155121 Ų12168%0.6856%0.561SS**Hα-helixtrans-60.6-49172.2174.8-97.4000111.7S226 F232S226-F228 PolarHBondContact O-N 2.99Å; S226-F228 VanDerWaalsContact O-N 3.14Å; S226-F228 PolarHBondContact OG-N 3.31Å; F228-F232 WeakPolarHBondContact O-CB 3.19Å; F228-F232 PolarHBondContact O-N 3.25Å
229H95.5Very high94.6Very high44 Ų44118.7 Ų118.720%0.20456%0.557CS.*Hα-helixtrans-70.8-39.8-177.3-172.385.1000112.1T223 L224 S226 K231 F232 M233T223-H229 WeakPolarHBondContact O-CB 3.46Å; T223-H229 PolarHBondContact O-ND1 2.84Å; T223-H229 VanDerWaalsContact O-ND1 3.16Å; L224-H229 PolarHBondContact O-CD2 3.07Å; L224-H229 VanDerWaalsContact O-CD2 3.24Å; S226-H229 PolarHBondContact O-N 3.45Å; H229-K231 PolarHBondContact O-N 3.16Å; H229-F232 WeakPolarHBondContact O-CB 3.44Å; H229-F232 PolarHBondContact O-N 3.02Å; H229-M233 WeakPolarHBondContact CE1-CE 3.48Å; H229-M233 WeakPolarHBondContact O-CG 3.32Å; H229-M233 PolarHBondContact O-N 3.36Å
230K94.1Very high94.6Very high103 Ų103115.5 Ų115.545%0.44855%0.545SS..Hα-helixtrans-57.6-49.6174.5-65.7178.4-170.4164.10111.3R225 S226 E227 F232 M233 E234R225-K230 WeakPolarHBondContact O-CE 3.42Å; S226-K230 PolarHBondContact O-N 3.07Å; E227-K230 IonicContact OE1-NZ 3.31Å; E227-K230 PolarHBondContact OE1-NZ 2.97Å; K230-F232 VanDerWaalsContact C-N 3.32Å; K230-F232 PolarHBondContact O-N 3.02Å; K230-M233 PolarHBondContact O-N 2.85Å; K230-E234 WeakPolarHBondContact O-CB 3.47Å; K230-E234 PolarHBondContact O-N 2.96Å
231K94.3Very high94.6Very high135 Ų135118.9 Ų118.959%0.58756%0.557SS**Hα-helixtrans-64.2-36.4176.6-72.2177.8-179.2-176.10112.6E227 H229 K235E227-K231 WeakPolarHBondContact O-CB 3.47Å; E227-K231 VanDerWaalsContact O-CG 3.24Å; E227-K231 WeakPolarHBondContact O-CG 3.21Å; E227-K231 PolarHBondContact O-N 3.08Å; E227-K231 VanDerWaalsContact O-N 3.08Å; H229-K231 PolarHBondContact O-N 3.16Å; K231-K235 VanDerWaalsContact O-CB 3.27Å; K231-K235 WeakPolarHBondContact O-CB 2.96Å; K231-K235 PolarHBondContact O-N 3.49Å
232F96.8Very high94.6Very high90 Ų90116.6 Ų116.640%0.39554%0.54SS..Hα-helixtrans-62.4-48.4174.5178.4-87.6000110.8F228 H229 K230 K235 Y236F228-F232 WeakPolarHBondContact O-CB 3.19Å; F228-F232 PolarHBondContact O-N 3.25Å; H229-F232 WeakPolarHBondContact O-CB 3.44Å; H229-F232 PolarHBondContact O-N 3.02Å; K230-F232 VanDerWaalsContact C-N 3.32Å; K230-F232 PolarHBondContact O-N 3.02Å; F232-K235 PolarHBondContact O-N 3.25Å; F232-Y236 HydrophobicContact CD1-CD2 4.31Å; F232-Y236 AromaticContact CD2-CD2 3.54Å; F232-Y236 HydrophobicContact CD2-CD2 3.54Å; F232-Y236 AromaticContact CD2-CE2 3.63Å; F232-Y236 HydrophobicContact CD2-CE2 3.63Å; F232-Y236 HydrophobicContact CE1-CD2 4.23Å; F232-Y236 AromaticContact CE2-CD2 3.44Å; F232-Y236 HydrophobicContact CE2-CD2 3.44Å; F232-Y236 VanDerWaalsContact CE2-CD2 3.44Å; F232-Y236 AromaticContact CE2-CE2 3.53Å; F232-Y236 HydrophobicContact CE2-CE2 3.53Å; F232-Y236 HydrophobicContact CE2-CG 4.33Å; F232-Y236 AromaticContact CG-CD2 3.99Å; F232-Y236 HydrophobicContact CG-CD2 3.99Å; F232-Y236 HydrophobicContact CG-CE2 4.46Å; F232-Y236 AromaticContact CZ-CD2 3.8Å; F232-Y236 HydrophobicContact CZ-CD2 3.8Å; F232-Y236 HydrophobicContact CZ-CE2 4.3Å; F232-Y236 HydrophobicContact CZ-CG 4.32Å; F232-Y236 VanDerWaalsContact O-CD2 3.28Å; F232-Y236 WeakPolarHBondContact O-CD2 3.47Å; F232-Y236 PolarHBondContact O-N 3.29Å
233M97.3Very high94.5Very high70 Ų70121.3 Ų121.335%0.34556%0.56SS.*Hα-helixtrans-66.3-42.9179.3-69.3-58.9159.100112.1H229 K230 K235 Y236 V237H229-M233 WeakPolarHBondContact CE1-CE 3.48Å; H229-M233 WeakPolarHBondContact O-CG 3.32Å; H229-M233 PolarHBondContact O-N 3.36Å; K230-M233 PolarHBondContact O-N 2.85Å; M233-K235 PolarHBondContact O-N 3.29Å; M233-Y236 PolarHBondContact O-N 3.3Å; M233-V237 WeakPolarHBondContact O-CA 3.46Å; M233-V237 VanDerWaalsContact O-CB 3.31Å; M233-V237 WeakPolarHBondContact O-CB 3.48Å; M233-V237 PolarHBondContact O-N 3.29Å; M233-V237 VanDerWaalsContact O-O 3.09Å; M233-V237 HydrophobicContact SD-CG2 3.86Å
234E96.4Very high94.4Very high158 Ų158121.5 Ų121.574%0.73855%0.549SS*.Hα-helixtrans-56.9-35.6173-176.6-177.5-175.500112.6K230K230-E234 WeakPolarHBondContact O-CB 3.47Å; K230-E234 PolarHBondContact O-N 2.96Å
235K97.1Very high94.4Very high154 Ų154122.3 Ų122.367%0.6755%0.547SS*.Hα-helixtrans-78.3-41-179.3-176.4177.1178.9-172.40113.4K231 F232 M233K231-K235 VanDerWaalsContact O-CB 3.27Å; K231-K235 WeakPolarHBondContact O-CB 2.96Å; K231-K235 PolarHBondContact O-N 3.49Å; F232-K235 PolarHBondContact O-N 3.25Å; M233-K235 PolarHBondContact O-N 3.29Å
236Y97.4Very high94.4Very high147 Ų147118.8 Ų118.858%0.57654%0.54SS*.Hα-helixtrans-104.6-10.9-169.4-69.1-76.6000114F232 M233F232-Y236 HydrophobicContact CD1-CD2 4.31Å; F232-Y236 AromaticContact CD2-CD2 3.54Å; F232-Y236 HydrophobicContact CD2-CD2 3.54Å; F232-Y236 AromaticContact CD2-CE2 3.63Å; F232-Y236 HydrophobicContact CD2-CE2 3.63Å; F232-Y236 HydrophobicContact CE1-CD2 4.23Å; F232-Y236 AromaticContact CE2-CD2 3.44Å; F232-Y236 HydrophobicContact CE2-CD2 3.44Å; F232-Y236 VanDerWaalsContact CE2-CD2 3.44Å; F232-Y236 AromaticContact CE2-CE2 3.53Å; F232-Y236 HydrophobicContact CE2-CE2 3.53Å; F232-Y236 HydrophobicContact CE2-CG 4.33Å; F232-Y236 AromaticContact CG-CD2 3.99Å; F232-Y236 HydrophobicContact CG-CD2 3.99Å; F232-Y236 HydrophobicContact CG-CE2 4.46Å; F232-Y236 AromaticContact CZ-CD2 3.8Å; F232-Y236 HydrophobicContact CZ-CD2 3.8Å; F232-Y236 HydrophobicContact CZ-CE2 4.3Å; F232-Y236 HydrophobicContact CZ-CG 4.32Å; F232-Y236 VanDerWaalsContact O-CD2 3.28Å; F232-Y236 WeakPolarHBondContact O-CD2 3.47Å; F232-Y236 PolarHBondContact O-N 3.29Å; M233-Y236 PolarHBondContact O-N 3.3Å
237V94.1Very high94.4Very high96 Ų96126.7 Ų126.758%0.58257%0.571SS**  trans-123.1121.8175.5-172.10000107.8M233M233-V237 WeakPolarHBondContact O-CA 3.46Å; M233-V237 VanDerWaalsContact O-CB 3.31Å; M233-V237 WeakPolarHBondContact O-CB 3.48Å; M233-V237 PolarHBondContact O-N 3.29Å; M233-V237 VanDerWaalsContact O-O 3.09Å; M233-V237 HydrophobicContact SD-CG2 3.86Å
238K82.5Confident94.6Very high277 Ų277129.9 Ų129.9100%1.20458%0.584SS**  trans-1110-172.1-156174.8-170.9175.90111.6

Retrieved 238 of 238 residues in 703.2 ms (Link to these results)