A0A5K4FA71_SCHMA Loading...

Voltage-dependent calcium channel type A subunit alpha-1 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FA71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,211 aa.

>A0A5K4FA71_SCHMA|A0A5K4FA71
MISTSDTITNQDINNHPINVQNKRSDIDQRLNRDPKYETINQLAKDTLNIELPESQSSTNRALFVFSKNNLIRKAARSIIEWGYPFHWLLIMWKPFEYMVLSTIIANCVVLAMEVHLPNKDKRPLSEKLEITENYFLGIFTCEAFLKIIALGFILHSGSYLRNIWNILDFVVVVTGFLTMFMTSGSGVNLRTLRAVRVLRPLKLVSGVPSLQVVLTSIIKAMAPLLQIGILVLFAILIFAIVGLEFYSGVFHVTCFEQSNPTELPSFIPDAPGLVPCQPVDTHTRPPGAFICPAGYICKGYWEGPNYGITSFDNIGYAMLTVFQCITMEGWTDVLYMTNRTYGSRFNWIYFIPLIVIGAFLLINLVLGVLSGEFAKERERVEKRRAFLKLRRQQQSDRELNGYLDWIQRAEEVILAEEQTSFAQRLNIIKARKRAEKVRRRSNDAEKRAIAAELENCEAELKAKRNFKIPGSEALFQYHKRFRFAVRRLIKSQKFYIIVITLVLLNALCVSVEFYGQPGWLTDFLYFSEFIFLGLFLFEMIIKIYGLGCLIYFHSTFNIFDFAVVFASLFEIVWQIFYPSDSFGFSALRSIRLLRIFKITRYWASLRNLVLSLLNAMRSILSLLFLLFLFMLIFALLGMQLFGGEFNFDDGKPGQNFDTFVKALLTVFQILTGEDWNMIMYDGIRSQGGVNNGGFVYCIYFVLLVLFGNYTLLNVFLAIAVDNLANAQELTAAEEEEQRLANELAEQQEDKENLKTDLNQPQTIEINQINERKYSGFEEFGKSITAQMGNKYCDNYSTMQKFQTDIELGREQDTQANQESQTQHQLYGKPMLPYSSMFIFSSTNPVRRFCHFVVNLRYFDLFIMIVIVSSSLALAAEDPVSENSIRNCLLEYFDHAFTCVFAIEMLLKLIDLGVFLHPYSYCRDTWNLLDAAVVIGALISFFRAYTLKGRAGHGSSKNLSTIKSLRVLRVLRPLKTIRRVPKLKAVFDCVVSSLKNVCIILVVYILFQFIFSIVAVQLFQGKFFYCNDLSKLTKEDCQGYFFSYDDGLVPVVKARVWSSRDFHYDNVITAMLTLFTVTTGEGWPGILKNSMDATEVNHGPVEDHSQQMAIFYIIFFIVFPFFFVNIFVALIIITFQEQGENELVDHELDKNQKQCIEFAINSKPLCRYMPSNIASTKYRIWRLVVSSPFEYYIMTMIALNTLILMMKYYRPDYTDANMGIPDWETQKYQSYCSTLVYLNTAFTAMFTMECLLKLIAFGPKSYFRDSWNTFDFITVVGSITDVLVSELQDSSFLNLGFLRLFRAARLIKLIRQGYTIRILLWTFIQSFKALPYVCLLITMLFFIYAVVGMQIFGTIAINEAEGQITSYNNFHSFPYAVLCATGESWQEIMLACTYGQECVNRASNNCGSNASYTYFVSFNFFCSFLMLNLFVAVIMDNFDYLTRDSSILGSHHLDEFIRVWAEYDPGAKGRIHYTEMYEMLRKLEPPVGFGQNCPYRLAYKKLIRMNMPLDSAGTVHFTTTLFALVRESLGIKMAPAEFMDIKDAELRETIKTLWPVQAKRSLDLLLPPDSEYTFTRLTVGKIYAGLLIYENWQMNKSTGNKKNLHQLNTKPILEACLTQMLGHDPFHPANRLPNCSKEHSRYGSKVDLRSINNMEIDHIPLENNYKEQTLKYKQHEKELVEKLNQIKQQQLNNNNDKYMRKISKTTSEVTRTTTTTTTANNDNIINTRQIFQTIITSPDEEKFNKTSSTEQEHIHKSLGLIDALNNNNNNNGDDDERDDVQSIDYYLSRKSIHSFSTTTSTDYTYYPNAHSNYNQKPQTTSQVQYNSHTNKIKVYTNMPDAAISQHSNNNNYYDHKNKISSENQKLTFYPHPPETDNPYLTPNHIYDKLCKLDNFSDKSRRGIEEERKRGVFYRKCAYNTYQQRTNQAHLNFADAVHTLVKQANVMAKRNRINKYLRKSAKDVDWDTLSFHRVNMSPRSYDRNTRYYGNSIRSHHKRKRVLYDENHNGYKSFYLNLPNNYSLVSYDMLQCSSARDDETDENNSFNEGFRITDLEHQRDSPTVYDEAYEQPYATQIERSASIHEICQKSENKTNNEYSVQKSHNTLYHSLHMIPCESEIKSYIQSVQDLNLATSNFNHINPSNRSDQIIKMKESEIQFPRLLKSPTTSDDFNSIYYPIKHHRTGSLTFYSCPPHETSSHCSMDPSASAFVKH
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.5Very low29.8Very low224 Ų224132.4 Ų132.4100%1.10374%0.737SS**  0108.80-67.4169.5173.500106.1
2I29.6Very low29.9Very low148 Ų148131.3 Ų131.376%0.75973%0.729SS**  71.198.793.3-63.6162.1000107.6
3S26.2Very low30.2Very low99 Ų99131 Ų13169%0.69272%0.723SS**  57.7145.481.391.10000112.6
4T31.2Very low30.3Very low118 Ų118130.8 Ų130.872%0.72472%0.72SS**  cis-139.8140.210.922.20000108
5S29.1Very low30.5Very low90 Ų90131.6 Ų131.663%0.62972%0.723SS**  81.3150.396.9-50.80000115.9
6D28.4Very low30.7Very low145 Ų145133.8 Ų133.878%0.77573%0.726SS**  trans69.2148.5154.5-53.6-32.8000119
7T28.2Very low30.5Very low108 Ų108132.9 Ų132.966%0.66373%0.728SS**  cis-160.7177.9-1421.10000108.5
8I31.3Very low30.5Very low149 Ų149131.9 Ų131.976%0.76472%0.721SS**  trans68.8141154.1-72.7151.1000116.1
9T32Very low30.4Very low111 Ų111127.8 Ų127.868%0.68170%0.698SS**  cis-160.3170.8-23.439.20000105.3
10N29.6Very low30.5Very low114 Ų114127.5 Ų127.561%0.6170%0.7SS**  cis-157.1164-2.4-129.520.7000109
11Q31.2Very low30.6Very low150 Ų150125.8 Ų125.870%0.70169%0.687SS**  trans61.1143.3147.4-65.6171.5-73.100119.3
12D31.6Very low30.7Very low120 Ų120116.2 Ų116.264%0.64264%0.64SS**  cis-159.2161.3-6.5-122.2-29.5000113.2
13I34.2Very low30.8Very low127 Ų127110.8 Ų110.865%0.65161%0.611SS**  trans67.489151.5-60.5162.3000119
14N31.3Very low31.2Very low128 Ų128116.2 Ų116.268%0.68462%0.616SS**  53.2105.7114.3-49.5-19.5000120.7
15N33.6Very low31.7Very low143 Ų143112 Ų11277%0.76559%0.592SS**  169.7140.389.8-92.7-29.7000114.9
16H32.5Very low32.1Very low167 Ų167109.2 Ų109.277%0.77357%0.57SS**  trans56.9118170.7-69.1-69.6000120.1
17P28.2Very low33Very low118 Ų118104.1 Ų104.177%0.76654%0.543SS*.  trans-86.5126170.833.9-31.1000111.8N19P17-N19 PolarHBondContact O-N 3.45Å
18I30.1Very low33.8Very low115 Ų115101.4 Ų101.459%0.5952%0.524SS*.  trans-9495.3174.5-54.4179.6000108.5V20I18-V20 PolarHBondContact O-N 2.63Å
19N28.8Very low34.4Very low54 Ų5494.4 Ų94.429%0.28949%0.488SS..  trans-56.3129.1-176.7-111.1-22.9000111.8P17 N22P17-N19 PolarHBondContact O-N 3.45Å; N19-N22 HydrophobicContact CB-CB 3.35Å; N19-N22 PolarHBondContact ND2-ND2 3.47Å; N19-N22 CarbonylContact O-C 3.6Å; N19-N22 VanDerWaalsContact O-CA 3.22Å; N19-N22 WeakPolarHBondContact O-CA 3.03Å; N19-N22 WeakPolarHBondContact O-CB 3.29Å; N19-N22 PolarHBondContact O-N 3.48Å
20V32.5Very low35Very low122 Ų12296.1 Ų96.174%0.73948%0.482SS*.SBendtrans-83.9-10.7179.5178.20000113.1I18I18-V20 PolarHBondContact O-N 2.63Å
21Q32.1Very low36Very low92 Ų9291.4 Ų91.443%0.4346%0.456SS..SBendtrans-74.5-36.9154.1-78179.8-73.700110.8K23 R24 S25Q21-K23 PolarHBondContact O-N 3.17Å; Q21-R24 PolarHBondContact O-N 3.49Å; Q21-S25 PolarHBondContact O-N 3.4Å; Q21-S25 PolarHBondContact O-OG 3.47Å
22N33.8Very low36.9Very low22 Ų2285.7 Ų85.712%0.11843%0.431CS..THydrogen-bonded Turntrans-79.557.6175.1-5710.9000113.1N19 S25 D26 Q29 E2095N19-N22 HydrophobicContact CB-CB 3.35Å; N19-N22 PolarHBondContact ND2-ND2 3.47Å; N19-N22 CarbonylContact O-C 3.6Å; N19-N22 VanDerWaalsContact O-CA 3.22Å; N19-N22 WeakPolarHBondContact O-CA 3.03Å; N19-N22 WeakPolarHBondContact O-CB 3.29Å; N19-N22 PolarHBondContact O-N 3.48Å; N22-S25 WeakPolarHBondContact CA-OG 3.2Å; N22-S25 PolarHBondContact N-OG 3.14Å; N22-S25 PolarHBondContact OD1-OG 3.26Å; N22-D26 VanDerWaalsContact C-CB 3.47Å; N22-D26 HydrophobicContact CB-CB 3.97Å; N22-D26 WeakPolarHBondContact O-CB 3.16Å; N22-Q29 PolarHBondContact ND2-OE1 3.23Å; N22-Q29 PolarHBondContact OD1-OE1 2.85Å; N22-E2095 PolarHBondContact ND2-OE1 3.41Å
23K30.4Very low37.7Very low35 Ų3588 Ų8815%0.15243%0.431CS..THydrogen-bonded Turn-149.333.1126.4-74.2176.865.8177.90108.6Q21 D26 M2027 L2028 Q2029Q21-K23 PolarHBondContact O-N 3.17Å; K23-D26 HydrophobicContact CB-CB 4.35Å; K23-D26 HydrophobicContact CG-CB 4.03Å; K23-M2027 HydrophobicContact CD-SD 3.78Å; K23-M2027 WeakPolarHBondContact CE-O 3.09Å; K23-M2027 PolarHBondContact NZ-O 3.27Å; K23-M2027 PolarHBondContact NZ-SD 3.31Å; K23-L2028 HydrophobicContact CB-CB 3.31Å; K23-L2028 HydrophobicContact CB-CD2 3.69Å; K23-L2028 HydrophobicContact CB-CG 3.46Å; K23-L2028 VanDerWaalsContact CB-CG 3.46Å; K23-L2028 HydrophobicContact CD-CB 3.78Å; K23-L2028 HydrophobicContact CD-CD2 4.37Å; K23-L2028 WeakPolarHBondContact CE-O 3.43Å; K23-L2028 HydrophobicContact CG-CB 4.08Å; K23-L2028 HydrophobicContact CG-CD2 4.38Å; K23-Q2029 HydrophobicContact CB-CB 3.96Å; K23-Q2029 HydrophobicContact CB-CG 3.74Å; K23-Q2029 HydrophobicContact CD-CB 4.41Å; K23-Q2029 HydrophobicContact CD-CG 4.39Å; K23-Q2029 HydrophobicContact CG-CB 4.15Å; K23-Q2029 HydrophobicContact CG-CG 3.72Å; K23-Q2029 WeakPolarHBondContact O-CA 3.49Å; K23-Q2029 PolarHBondContact O-N 2.88Å
24R34.8Very low38.1Very low212 Ų21286 Ų8680%0.842%0.421SS*.THydrogen-bonded Turntrans-120.7-10.6142.5-153170-169.2153.56.4111.3Q21 D28 C2030Q21-R24 PolarHBondContact O-N 3.49Å; R24-D28 WeakPolarHBondContact O-CB 3.49Å; R24-C2030 PolarHBondContact O-SG 3.41Å
25S41.9Very low38.8Very low30 Ų3084.3 Ų84.321%0.2142%0.417CS..SBendtrans-92.3-15.6151.840.90000114.9Q21 N22 D28 Q29Q21-S25 PolarHBondContact O-N 3.4Å; Q21-S25 PolarHBondContact O-OG 3.47Å; N22-S25 WeakPolarHBondContact CA-OG 3.2Å; N22-S25 PolarHBondContact N-OG 3.14Å; N22-S25 PolarHBondContact OD1-OG 3.26Å; S25-D28 CarbonylContact O-C 3.19Å; S25-D28 VanDerWaalsContact O-CA 3.26Å; S25-D28 WeakPolarHBondContact O-CA 3.26Å; S25-D28 VanDerWaalsContact O-CB 3.31Å; S25-D28 WeakPolarHBondContact O-CB 3.29Å; S25-D28 PolarHBondContact O-N 3.43Å; S25-Q29 WeakPolarHBondContact O-CA 3.44Å; S25-Q29 WeakPolarHBondContact O-CB 3.46Å; S25-Q29 WeakPolarHBondContact O-CG 3.15Å; S25-Q29 PolarHBondContact O-N 3.16Å; S25-Q29 PolarHBondContact O-OE1 3.31Å
26D38.8Very low39.4Very low31 Ų3185.8 Ų85.817%0.16642%0.417CS..SBendtrans-84.4-32.3-167.1-165.143.2000118.1N22 K23 Q29 R30 Q2029N22-D26 VanDerWaalsContact C-CB 3.47Å; N22-D26 HydrophobicContact CB-CB 3.97Å; N22-D26 WeakPolarHBondContact O-CB 3.16Å; K23-D26 HydrophobicContact CB-CB 4.35Å; K23-D26 HydrophobicContact CG-CB 4.03Å; D26-Q29 CarbonylContact O-C 3.52Å; D26-Q29 PolarHBondContact O-N 3.34Å; D26-R30 WeakPolarHBondContact O-CG 3Å; D26-R30 PolarHBondContact O-N 3.33Å; D26-R30 IonicContact OD2-CZ 2.96Å; D26-R30 IonicContact OD2-NE 3.16Å; D26-R30 IonicContact OD2-NH2 3.73Å; D26-R30 PolarHBondContact OD2-NH2 3.35Å; D26-R30 VanDerWaalsContact OD2-NH2 3.16Å; D26-Q2029 HydrophobicContact CB-CG 4.23Å; D26-Q2029 VanDerWaalsContact CB-NE2 3.27Å; D26-Q2029 PolarHBondContact O-NE2 3.16Å; D26-Q2029 PolarHBondContact OD2-NE2 2.8Å
27I46.6Very low40Very low39 Ų3981.3 Ų81.320%0.239%0.394CS..THydrogen-bonded Turntrans-83-25.9161-81.2160.9000109.4Q29 R30 L31 Q2029 C2030I27-Q29 PolarHBondContact O-N 3.28Å; I27-R30 HydrophobicContact CG1-CB 4.4Å; I27-R30 PolarHBondContact O-N 3.31Å; I27-R30 VanDerWaalsContact O-N 3.13Å; I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 VanDerWaalsContact O-CB 3.26Å; I27-L31 WeakPolarHBondContact O-CB 3.36Å; I27-L31 PolarHBondContact O-N 3.4Å; I27-Q2029 HydrophobicContact CB-CG 3.75Å; I27-Q2029 HydrophobicContact CD1-CB 3.86Å; I27-Q2029 HydrophobicContact CD1-CG 3.65Å; I27-Q2029 HydrophobicContact CG1-CB 4.31Å; I27-Q2029 HydrophobicContact CG1-CG 3.54Å; I27-Q2029 VanDerWaalsContact N-CG 3.33Å; I27-C2030 HydrophobicContact CB-CB 3.95Å; I27-C2030 VanDerWaalsContact CB-O 3.32Å; I27-C2030 WeakPolarHBondContact CB-O 3.33Å; I27-C2030 WeakPolarHBondContact CD1-O 3.27Å; I27-C2030 VanDerWaalsContact CG2-C 3.42Å; I27-C2030 HydrophobicContact CG2-CB 4.03Å; I27-C2030 WeakPolarHBondContact CG2-O 3.45Å
28D44.2Very low40.9Very low51 Ų5179.8 Ų79.827%0.27338%0.376SS..THydrogen-bonded Turntrans-62.37.6155.3-82.538000113.2R24 S25 C2030 T2092 N2093R24-D28 WeakPolarHBondContact O-CB 3.49Å; S25-D28 CarbonylContact O-C 3.19Å; S25-D28 VanDerWaalsContact O-CA 3.26Å; S25-D28 WeakPolarHBondContact O-CA 3.26Å; S25-D28 VanDerWaalsContact O-CB 3.31Å; S25-D28 WeakPolarHBondContact O-CB 3.29Å; S25-D28 PolarHBondContact O-N 3.43Å; D28-C2030 WeakPolarHBondContact OD1-CB 3.42Å; D28-C2030 PolarHBondContact OD1-SG 3.34Å; D28-T2092 CarbonylContact C-O 3.07Å; D28-T2092 VanDerWaalsContact CA-CB 3.46Å; D28-T2092 WeakPolarHBondContact CA-OG1 3.49Å; D28-T2092 HydrophobicContact CB-CG2 3.87Å; D28-T2092 CarbonylContact O-C 3.51Å; D28-T2092 VanDerWaalsContact O-CB 3.23Å; D28-T2092 WeakPolarHBondContact O-CB 3.44Å; D28-T2092 PolarHBondContact O-OG1 2.65Å; D28-T2092 VanDerWaalsContact OD2-CG2 3.24Å; D28-T2092 WeakPolarHBondContact OD2-CG2 3.21Å; D28-N2093 WeakPolarHBondContact O-CA 2.99Å; D28-N2093 PolarHBondContact O-N 3.13Å
29Q45.2Very low42Very low2 Ų277.6 Ų77.61%0.00937%0.369CS..THydrogen-bonded Turntrans-129.5-13.4171.9-79.3162-60.100112.5N22 S25 D26 I27 R33 N2093 N2094 E2095N22-Q29 PolarHBondContact ND2-OE1 3.23Å; N22-Q29 PolarHBondContact OD1-OE1 2.85Å; S25-Q29 WeakPolarHBondContact O-CA 3.44Å; S25-Q29 WeakPolarHBondContact O-CB 3.46Å; S25-Q29 WeakPolarHBondContact O-CG 3.15Å; S25-Q29 PolarHBondContact O-N 3.16Å; S25-Q29 PolarHBondContact O-OE1 3.31Å; D26-Q29 CarbonylContact O-C 3.52Å; D26-Q29 PolarHBondContact O-N 3.34Å; I27-Q29 PolarHBondContact O-N 3.28Å; Q29-R33 PolarHBondContact O-NE 3.43Å; Q29-R33 PolarHBondContact O-NH2 3.43Å; Q29-N2093 VanDerWaalsContact C-ND2 3.29Å; Q29-N2093 WeakPolarHBondContact CA-ND2 3.36Å; Q29-N2093 PolarHBondContact O-ND2 3.26Å; Q29-N2093 PolarHBondContact O-OD1 2.98Å; Q29-N2094 WeakPolarHBondContact CG-OD1 3.47Å; Q29-N2094 PolarHBondContact NE2-OD1 3.41Å; Q29-E2095 PolarHBondContact NE2-OE1 2.92Å
30R44.1Very low43.4Very low147 Ų14779.3 Ų79.356%0.55538%0.377SS*.THydrogen-bonded Turntrans-90.5-28.3167.7-67173-163.7-154.83.7111.7D26 I27 R33D26-R30 WeakPolarHBondContact O-CG 3Å; D26-R30 PolarHBondContact O-N 3.33Å; D26-R30 IonicContact OD2-CZ 2.96Å; D26-R30 IonicContact OD2-NE 3.16Å; D26-R30 IonicContact OD2-NH2 3.73Å; D26-R30 PolarHBondContact OD2-NH2 3.35Å; D26-R30 VanDerWaalsContact OD2-NH2 3.16Å; I27-R30 HydrophobicContact CG1-CB 4.4Å; I27-R30 PolarHBondContact O-N 3.31Å; I27-R30 VanDerWaalsContact O-N 3.13Å; R30-R33 PolarHBondContact O-N 3.2Å
31L50.8Low44.2Very low14 Ų1475.6 Ų75.67%0.07335%0.353CS..G310 helixtrans-55.3-70.5170.9-92.6174.5000110.3I27 R33 D34 S2031 K2091 T2092I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 VanDerWaalsContact O-CB 3.26Å; I27-L31 WeakPolarHBondContact O-CB 3.36Å; I27-L31 PolarHBondContact O-N 3.4Å; L31-R33 PolarHBondContact O-N 3.3Å; L31-D34 PolarHBondContact O-N 3.36Å; L31-S2031 VanDerWaalsContact CD1-CB 3.5Å; L31-S2031 WeakPolarHBondContact CD1-OG 3.38Å; L31-S2031 VanDerWaalsContact CD2-OG 3.31Å; L31-S2031 WeakPolarHBondContact CD2-OG 3.07Å; L31-K2091 VanDerWaalsContact C-CD 3.47Å; L31-K2091 VanDerWaalsContact C-NZ 3.35Å; L31-K2091 HydrophobicContact CB-CD 3.81Å; L31-K2091 HydrophobicContact CB-CG 4.06Å; L31-K2091 HydrophobicContact CD1-CG 4.4Å; L31-K2091 HydrophobicContact CD2-CD 4.12Å; L31-K2091 HydrophobicContact CD2-CG 4.08Å; L31-K2091 HydrophobicContact CG-CD 4.49Å; L31-K2091 HydrophobicContact CG-CG 4.42Å; L31-K2091 WeakPolarHBondContact O-CE 3.06Å; L31-K2091 PolarHBondContact O-NZ 3.48Å; L31-T2092 WeakPolarHBondContact CB-OG1 3.35Å; L31-T2092 HydrophobicContact CD1-CG2 4.19Å; L31-T2092 WeakPolarHBondContact CD1-OG1 3.15Å
32N49Very low45.2Very low30 Ų3076.4 Ų76.416%0.1636%0.356CS..G310 helixtrans-72.138.7175.9-5128.3000113.9E38 K2091 T2092 N2093N32-E38 PolarHBondContact ND2-OE1 2.7Å; N32-K2091 HydrophobicContact CB-CD 4.49Å; N32-K2091 WeakPolarHBondContact OD1-CA 3.4Å; N32-K2091 WeakPolarHBondContact OD1-CB 3.4Å; N32-K2091 VanDerWaalsContact OD1-CD 3.25Å; N32-K2091 WeakPolarHBondContact OD1-CD 3.29Å; N32-T2092 WeakPolarHBondContact CB-O 3.37Å; N32-T2092 PolarHBondContact N-O 3.28Å; N32-T2092 WeakPolarHBondContact OD1-CA 3.36Å; N32-T2092 PolarHBondContact OD1-N 3.34Å; N32-T2092 PolarHBondContact OD1-O 3.45Å; N32-T2092 PolarHBondContact OD1-OG1 3.5Å; N32-N2093 WeakPolarHBondContact CA-ND2 3.46Å; N32-N2093 HydrophobicContact CB-CB 4Å; N32-N2093 VanDerWaalsContact CB-ND2 3.29Å; N32-N2093 WeakPolarHBondContact CB-ND2 2.99Å; N32-N2093 PolarHBondContact N-ND2 2.8Å
33R49.2Very low46Very low169 Ų16980.1 Ų80.164%0.63838%0.376SS*.G310 helixtrans-117.2-10.5154.2-86.4-178.3-93.1-149.9-8.2113.8Q29 R30 L31 P35Q29-R33 PolarHBondContact O-NE 3.43Å; Q29-R33 PolarHBondContact O-NH2 3.43Å; R30-R33 PolarHBondContact O-N 3.2Å; L31-R33 PolarHBondContact O-N 3.3Å; R33-P35 WeakPolarHBondContact O-CD 3.48Å
34D42.3Very low46.9Very low86 Ų8680.8 Ų80.846%0.4639%0.388SS..SBendtrans-78.7110.4158.4-83.5-38.9000109.6L31 K36 K2091L31-D34 PolarHBondContact O-N 3.36Å; D34-K36 PolarHBondContact O-N 3.15Å; D34-K2091 VanDerWaalsContact CB-NZ 3.35Å; D34-K2091 PolarHBondContact O-NZ 2.71Å
35P46.9Very low47.4Very low92 Ų9277.5 Ų77.560%0.59738%0.379SS*.Hα-helixtrans-60.3-34.9-175.423.5-33.7000111.9R33 Y37 E38 T39R33-P35 WeakPolarHBondContact O-CD 3.48Å; P35-Y37 PolarHBondContact O-N 3.35Å; P35-E38 WeakPolarHBondContact O-CB 3.25Å; P35-E38 PolarHBondContact O-N 3.05Å; P35-T39 PolarHBondContact O-N 3.18Å; P35-T39 PolarHBondContact O-OG1 2.96Å
36K44.7Very low47.7Very low174 Ų17480.6 Ų80.676%0.75739%0.394SS*.Hα-helixtrans-51.4-15.5-174.4-127.6-174.9-176.3-172.70116.4D34 I40D34-K36 PolarHBondContact O-N 3.15Å; K36-I40 VanDerWaalsContact O-CD1 3.26Å; K36-I40 WeakPolarHBondContact O-CD1 3.32Å; K36-I40 VanDerWaalsContact O-CG1 3.27Å; K36-I40 WeakPolarHBondContact O-CG1 3.1Å
37Y45.9Very low48.1Very low72 Ų7283 Ų8328%0.28241%0.409SS..Hα-helixtrans-125.8-15.3-175.6-144.2-48.8000111.3P35 I40 N41 N2090 K2091P35-Y37 PolarHBondContact O-N 3.35Å; Y37-I40 VanDerWaalsContact C-N 3.31Å; Y37-I40 HydrophobicContact CD1-CB 3.86Å; Y37-I40 HydrophobicContact CD1-CD1 4.42Å; Y37-I40 HydrophobicContact CD1-CG2 4.09Å; Y37-I40 HydrophobicContact CE1-CG2 4.37Å; Y37-I40 HydrophobicContact CG-CB 4.29Å; Y37-I40 HydrophobicContact CG-CD1 4.17Å; Y37-I40 CarbonylContact O-C 3.59Å; Y37-I40 PolarHBondContact O-N 3.4Å; Y37-I40 VanDerWaalsContact O-N 3.16Å; Y37-N41 PolarHBondContact O-N 3.2Å; Y37-N2090 HydrophobicContact CE1-CB 3.96Å; Y37-N2090 VanDerWaalsContact OH-CB 3.3Å; Y37-N2090 WeakPolarHBondContact OH-CB 3.26Å; Y37-N2090 PolarHBondContact OH-ND2 2.91Å; Y37-K2091 HydrophobicContact CD1-CB 4.35Å; Y37-K2091 HydrophobicContact CD1-CD 4.1Å; Y37-K2091 HydrophobicContact CD1-CG 3.64Å; Y37-K2091 HydrophobicContact CD2-CD 4.37Å; Y37-K2091 HydrophobicContact CD2-CG 4.31Å; Y37-K2091 HydrophobicContact CE1-CG 3.95Å; Y37-K2091 HydrophobicContact CG-CD 3.86Å; Y37-K2091 VanDerWaalsContact CG-CE 3.44Å; Y37-K2091 HydrophobicContact CG-CG 3.85Å
38E47.2Very low48.1Very low86 Ų8688.4 Ų88.440%0.40244%0.438SS..Hα-helixtrans-63.2-38.8155.1-156.2135.5-112.600107.4N32 P35 I40 N41 Q42N32-E38 PolarHBondContact ND2-OE1 2.7Å; P35-E38 WeakPolarHBondContact O-CB 3.25Å; P35-E38 PolarHBondContact O-N 3.05Å; E38-I40 VanDerWaalsContact C-N 3.32Å; E38-I40 PolarHBondContact O-N 2.96Å; E38-N41 PolarHBondContact O-N 2.94Å; E38-Q42 WeakPolarHBondContact O-CB 3.29Å; E38-Q42 VanDerWaalsContact O-CG 3.24Å; E38-Q42 WeakPolarHBondContact O-CG 3.36Å; E38-Q42 PolarHBondContact O-N 2.95Å; E38-Q42 PolarHBondContact O-OE1 3.21Å
39T52.1Low47.7Very low70 Ų7091.1 Ų91.143%0.42945%0.452SS..Hα-helixtrans-61.6-29.2165.3-21.50000114.3P35 L43P35-T39 PolarHBondContact O-N 3.18Å; P35-T39 PolarHBondContact O-OG1 2.96Å; T39-L43 HydrophobicContact CG2-CD1 4.27Å; T39-L43 VanDerWaalsContact O-CB 3.26Å; T39-L43 WeakPolarHBondContact O-CB 3.09Å; T39-L43 VanDerWaalsContact O-CD1 3.31Å; T39-L43 WeakPolarHBondContact O-CD1 3.24Å; T39-L43 PolarHBondContact O-N 2.89Å
40I58.9Low47.2Very low89 Ų8996.4 Ų96.446%0.45648%0.48SS..Hα-helixtrans-84.2-30.7176.6-66.1161.2000112K36 Y37 E38 A44K36-I40 VanDerWaalsContact O-CD1 3.26Å; K36-I40 WeakPolarHBondContact O-CD1 3.32Å; K36-I40 VanDerWaalsContact O-CG1 3.27Å; K36-I40 WeakPolarHBondContact O-CG1 3.1Å; Y37-I40 VanDerWaalsContact C-N 3.31Å; Y37-I40 HydrophobicContact CD1-CB 3.86Å; Y37-I40 HydrophobicContact CD1-CD1 4.42Å; Y37-I40 HydrophobicContact CD1-CG2 4.09Å; Y37-I40 HydrophobicContact CE1-CG2 4.37Å; Y37-I40 HydrophobicContact CG-CB 4.29Å; Y37-I40 HydrophobicContact CG-CD1 4.17Å; Y37-I40 CarbonylContact O-C 3.59Å; Y37-I40 PolarHBondContact O-N 3.4Å; Y37-I40 VanDerWaalsContact O-N 3.16Å; E38-I40 VanDerWaalsContact C-N 3.32Å; E38-I40 PolarHBondContact O-N 2.96Å; I40-A44 WeakPolarHBondContact O-CA 3.31Å; I40-A44 WeakPolarHBondContact O-CB 3.42Å; I40-A44 PolarHBondContact O-N 2.81Å
41N50.5Low46.5Very low45 Ų4598 Ų9824%0.24149%0.493CS..Hα-helixtrans-80.9-24.6171.1-89.110.8000112.5Y37 E38 K45 N2090 K2091Y37-N41 PolarHBondContact O-N 3.2Å; E38-N41 PolarHBondContact O-N 2.94Å; N41-K45 VanDerWaalsContact O-CB 3.32Å; N41-K45 WeakPolarHBondContact O-CB 3.37Å; N41-K45 VanDerWaalsContact O-CG 3.25Å; N41-K45 WeakPolarHBondContact O-CG 3.02Å; N41-K45 PolarHBondContact O-N 2.87Å; N41-K45 VanDerWaalsContact O-N 3.12Å; N41-N2090 PolarHBondContact ND2-O 2.88Å; N41-K2091 WeakPolarHBondContact ND2-CB 3.37Å; N41-K2091 PolarHBondContact ND2-O 2.78Å; N41-K2091 VanDerWaalsContact ND2-O 3.07Å
42Q51.5Low45.6Very low108 Ų108103.6 Ų103.651%0.50552%0.523SS..Hα-helixtrans-68.6-58161.8-72.7172.5-59.400108.4E38 A44 K45 D46E38-Q42 WeakPolarHBondContact O-CB 3.29Å; E38-Q42 VanDerWaalsContact O-CG 3.24Å; E38-Q42 WeakPolarHBondContact O-CG 3.36Å; E38-Q42 PolarHBondContact O-N 2.95Å; E38-Q42 PolarHBondContact O-OE1 3.21Å; Q42-A44 VanDerWaalsContact C-N 3.29Å; Q42-A44 PolarHBondContact O-N 2.96Å; Q42-A44 VanDerWaalsContact O-N 3.13Å; Q42-K45 CarbonylContact O-C 3.59Å; Q42-K45 WeakPolarHBondContact O-CA 3.31Å; Q42-K45 PolarHBondContact O-N 2.69Å; Q42-D46 VanDerWaalsContact C-OD2 3.29Å; Q42-D46 WeakPolarHBondContact O-CB 3.25Å; Q42-D46 PolarHBondContact O-N 2.96Å; Q42-D46 VanDerWaalsContact O-OD2 3.11Å
43L50.8Low44.7Very low101 Ų101107.5 Ų107.553%0.52955%0.549SS..Hα-helixtrans-52.2-42.4174-104.674.2000113.3T39 K45 D46 T47T39-L43 HydrophobicContact CG2-CD1 4.27Å; T39-L43 VanDerWaalsContact O-CB 3.26Å; T39-L43 WeakPolarHBondContact O-CB 3.09Å; T39-L43 VanDerWaalsContact O-CD1 3.31Å; T39-L43 WeakPolarHBondContact O-CD1 3.24Å; T39-L43 PolarHBondContact O-N 2.89Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 3.48Å; L43-D46 PolarHBondContact O-N 2.78Å; L43-T47 WeakPolarHBondContact O-CA 3.3Å; L43-T47 WeakPolarHBondContact O-CB 3.22Å; L43-T47 PolarHBondContact O-N 3.36Å; L43-T47 PolarHBondContact O-OG1 2.67Å
44A50.4Low43.8Very low48 Ų48108.3 Ų108.340%0.39756%0.561SS.*Hα-helixtrans-70-28.3179.700000112.8I40 Q42 L48I40-A44 WeakPolarHBondContact O-CA 3.31Å; I40-A44 WeakPolarHBondContact O-CB 3.42Å; I40-A44 PolarHBondContact O-N 2.81Å; Q42-A44 VanDerWaalsContact C-N 3.29Å; Q42-A44 PolarHBondContact O-N 2.96Å; Q42-A44 VanDerWaalsContact O-N 3.13Å; A44-L48 WeakPolarHBondContact O-CB 3.09Å; A44-L48 WeakPolarHBondContact O-CD1 3.49Å; A44-L48 PolarHBondContact O-N 3.22Å
45K45.6Very low43.4Very low143 Ų143109.7 Ų109.762%0.62258%0.577SS**Hα-helixtrans-77.4-46.7169-76.9176.9177.2-178.40111.1N41 Q42 L43 T47 L48 N49N41-K45 VanDerWaalsContact O-CB 3.32Å; N41-K45 WeakPolarHBondContact O-CB 3.37Å; N41-K45 VanDerWaalsContact O-CG 3.25Å; N41-K45 WeakPolarHBondContact O-CG 3.02Å; N41-K45 PolarHBondContact O-N 2.87Å; N41-K45 VanDerWaalsContact O-N 3.12Å; Q42-K45 CarbonylContact O-C 3.59Å; Q42-K45 WeakPolarHBondContact O-CA 3.31Å; Q42-K45 PolarHBondContact O-N 2.69Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 3.48Å; K45-T47 VanDerWaalsContact C-N 3.3Å; K45-T47 PolarHBondContact O-N 3.16Å; K45-L48 CarbonylContact O-C 3.56Å; K45-L48 PolarHBondContact O-N 3.29Å; K45-N49 WeakPolarHBondContact O-CA 3.26Å; K45-N49 WeakPolarHBondContact O-CB 3.44Å; K45-N49 PolarHBondContact O-N 3.01Å; K45-N49 PolarHBondContact O-ND2 3.13Å; K45-N49 VanDerWaalsContact O-ND2 3.17Å; K45-N49 PolarHBondContact O-OD1 3.19Å
46D46.5Very low42.5Very low96 Ų96114 Ų11451%0.51359%0.589SS.*Hα-helixtrans-71.6-23.5-176.3-56.1-26.4000112.4Q42 L43 N49Q42-D46 VanDerWaalsContact C-OD2 3.29Å; Q42-D46 WeakPolarHBondContact O-CB 3.25Å; Q42-D46 PolarHBondContact O-N 2.96Å; Q42-D46 VanDerWaalsContact O-OD2 3.11Å; L43-D46 PolarHBondContact O-N 2.78Å; D46-N49 CarbonylContact O-C 3.58Å
47T48.4Very low41.6Very low81 Ų81111.4 Ų111.450%0.49759%0.593SS.*THydrogen-bonded Turntrans-90.1-19.6173.2-48.80000112.3L43 K45 I50L43-T47 WeakPolarHBondContact O-CA 3.3Å; L43-T47 WeakPolarHBondContact O-CB 3.22Å; L43-T47 PolarHBondContact O-N 3.36Å; L43-T47 PolarHBondContact O-OG1 2.67Å; K45-T47 VanDerWaalsContact C-N 3.3Å; K45-T47 PolarHBondContact O-N 3.16Å; T47-I50 HydrophobicContact CG2-CD1 3.92Å; T47-I50 WeakPolarHBondContact O-CG1 3.36Å
48L45.7Very low41Very low152 Ų152113.1 Ų113.180%0.79662%0.615SS**THydrogen-bonded Turntrans-88.2-21.8163.1-98.177000112.7A44 K45 I50A44-L48 WeakPolarHBondContact O-CB 3.09Å; A44-L48 WeakPolarHBondContact O-CD1 3.49Å; A44-L48 PolarHBondContact O-N 3.22Å; K45-L48 CarbonylContact O-C 3.56Å; K45-L48 PolarHBondContact O-N 3.29Å; L48-I50 PolarHBondContact O-N 3.05Å
49N35.4Very low40.7Very low108 Ų108113.5 Ų113.558%0.57862%0.624SS**  trans-85.226.2167.7-61.5-25.3000110.9K45 D46 E51K45-N49 WeakPolarHBondContact O-CA 3.26Å; K45-N49 WeakPolarHBondContact O-CB 3.44Å; K45-N49 PolarHBondContact O-N 3.01Å; K45-N49 PolarHBondContact O-ND2 3.13Å; K45-N49 VanDerWaalsContact O-ND2 3.17Å; K45-N49 PolarHBondContact O-OD1 3.19Å; D46-N49 CarbonylContact O-C 3.58Å; N49-E51 PolarHBondContact O-N 3.3Å
50I35.3Very low40.6Very low114 Ų114114.8 Ų114.859%0.58563%0.628SS**  trans-69.886.7160.1-66.2175.2000106.2T47 L48 L52T47-I50 HydrophobicContact CG2-CD1 3.92Å; T47-I50 WeakPolarHBondContact O-CG1 3.36Å; L48-I50 PolarHBondContact O-N 3.05Å; I50-L52 PolarHBondContact O-N 3.28Å
51E29.5Very low40.3Very low179 Ų179117.9 Ų117.984%0.83663%0.634SS**  trans-61.287.8167.2-65-175.214000108.2N49 P53N49-E51 PolarHBondContact O-N 3.3Å; E51-P53 WeakPolarHBondContact O-CD 3.48Å
52L32.7Very low40.6Very low133 Ų133116 Ų11670%0.69663%0.625SS**  trans-56120.7152.7-87168.8000106.1I50 E54I50-L52 PolarHBondContact O-N 3.28Å; L52-E54 PolarHBondContact O-N 2.99Å
53P28.5Very low41.2Very low111 Ų111114.7 Ų114.772%0.72162%0.621SS**  trans-72.898.5-168.827.4-34.3000110.1E51 S55E51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-S55 PolarHBondContact O-N 2.72Å
54E31.4Very low41.7Very low187 Ų187116 Ų11687%0.87462%0.622SS**  trans-51.6124.3152.3-83.9-166.5162.300107.3L52 Q56L52-E54 PolarHBondContact O-N 2.99Å; E54-Q56 PolarHBondContact O-N 3.27Å
55S34Very low42.4Very low115 Ų115118 Ų11880%0.80463%0.629SS**  trans-63.6114.7-168.634.20000111.3P53 S57P53-S55 PolarHBondContact O-N 2.72Å; S55-S57 PolarHBondContact O-N 3.17Å
56Q27.3Very low43.3Very low181 Ų181113.1 Ų113.185%0.84661%0.608SS**  trans-44.5136.4152.7-53.4172.6600107.6E54E54-Q56 PolarHBondContact O-N 3.27Å
57S26.7Very low44.2Very low120 Ų120110.5 Ų110.584%0.83960%0.598SS**  cis-16238.339.353.30000116.3S55S55-S57 PolarHBondContact O-N 3.17Å
58S32Very low44.8Very low108 Ų108112.2 Ų112.276%0.75560%0.598SS**SBendtrans-155.7134.9169.578.40000111.3
59T42.4Very low45.6Very low94 Ų94111.7 Ų111.758%0.57760%0.596SS**  cis-146.660.524.246.20000111.7R61T59-R61 PolarHBondContact O-N 2.88Å
60N49.3Very low47.2Very low97 Ų97109.3 Ų109.352%0.51958%0.583SS.*  trans-69.326.4-173.6-120.1-56.4000116.2K68 R73N60-K68 WeakPolarHBondContact OD1-CE 3.44Å; N60-R73 PolarHBondContact O-NH1 2.61Å
61R52.1Low49.1Very low154 Ų154111 Ų11158%0.58159%0.593SS**EExtended strand (participates in β ladder)trans-104.5118-176.6-55.3-180-173.1177.61.5110.9T59 F64 F66T59-R61 PolarHBondContact O-N 2.88Å; R61-F64 WeakPolarHBondContact CD-O 3.5Å; R61-F64 PolarHBondContact NH1-O 3.16Å; R61-F64 VanDerWaalsContact NH1-O 3.15Å; R61-F64 PolarHBondContact O-N 3.36Å; R61-F66 CarbonylContact C-O 2.77Å; R61-F66 VanDerWaalsContact CA-O 3.3Å; R61-F66 WeakPolarHBondContact CA-O 3.03Å
62A57.9Low51.2Low6 Ų6107.2 Ų107.25%0.0558%0.577CS.*EExtended strand (participates in β ladder)trans-64.1138.1168.100000109.5F64 V65 F66A62-F64 PolarHBondContact O-N 2.75Å; A62-V65 PolarHBondContact O-N 3.35Å; A62-V65 VanDerWaalsContact O-N 3.13Å; A62-F66 HydrophobicContact CB-CB 4.26Å; A62-F66 PolarHBondContact N-O 2.72Å; A62-F66 PolarHBondContact O-N 2.82Å
63L62.4Low53.1Low80 Ų80101.7 Ų101.742%0.41955%0.547SS..THydrogen-bonded Turntrans5329.8-173.2-61165.9000113.9V65 F66 I148 F153L63-V65 PolarHBondContact O-N 3.31Å; L63-F66 HydrophobicContact CB-CD2 4.42Å; L63-F66 HydrophobicContact CD1-CD2 4.43Å; L63-F66 HydrophobicContact CD1-CE2 4.24Å; L63-I148 HydrophobicContact CD1-CG2 4.16Å; L63-I148 HydrophobicContact CD2-CG2 4.13Å; L63-I148 HydrophobicContact CG-CG2 4.28Å; L63-F153 HydrophobicContact CD2-CB 4.29Å
64F62.3Low55.3Low129 Ų129103.5 Ų103.557%0.56654%0.544SS*.THydrogen-bonded Turntrans58.32.7-173.2-60.8-81.3000116.3R61 A62 L155R61-F64 WeakPolarHBondContact CD-O 3.5Å; R61-F64 PolarHBondContact NH1-O 3.16Å; R61-F64 VanDerWaalsContact NH1-O 3.15Å; R61-F64 PolarHBondContact O-N 3.36Å; A62-F64 PolarHBondContact O-N 2.75Å; F64-L155 HydrophobicContact CE1-CD1 4.15Å; F64-L155 HydrophobicContact CE2-CD1 3.9Å; F64-L155 HydrophobicContact CZ-CD1 3.45Å; F64-L155 VanDerWaalsContact CZ-CD1 3.45Å
65V65.3Low57.4Low90 Ų9096.9 Ų96.955%0.54552%0.521SS..THydrogen-bonded Turntrans-115.5-46-176.8175.20000112.3A62 L63 S67A62-V65 PolarHBondContact O-N 3.35Å; A62-V65 VanDerWaalsContact O-N 3.13Å; L63-V65 PolarHBondContact O-N 3.31Å; V65-S67 PolarHBondContact O-N 2.79Å
66F64.9Low59.3Low41 Ų4191.7 Ų91.718%0.1849%0.485CS..EExtended strand (participates in β ladder)trans-92.889.4-166.6-59.7-74.7000113.8R61 A62 L63 I72 R73R61-F66 CarbonylContact C-O 2.77Å; R61-F66 VanDerWaalsContact CA-O 3.3Å; R61-F66 WeakPolarHBondContact CA-O 3.03Å; A62-F66 HydrophobicContact CB-CB 4.26Å; A62-F66 PolarHBondContact N-O 2.72Å; A62-F66 PolarHBondContact O-N 2.82Å; L63-F66 HydrophobicContact CB-CD2 4.42Å; L63-F66 HydrophobicContact CD1-CD2 4.43Å; L63-F66 HydrophobicContact CD1-CE2 4.24Å; F66-I72 HydrophobicContact CD1-CB 4.35Å; F66-I72 HydrophobicContact CD1-CG2 4.29Å; F66-I72 HydrophobicContact CE1-CB 4.28Å; F66-I72 HydrophobicContact CE1-CD1 3.94Å; F66-I72 HydrophobicContact CE1-CG2 4Å; F66-R73 HydrophobicContact CB-CB 4.34Å; F66-R73 VanDerWaalsContact O-CD 3.25Å; F66-R73 WeakPolarHBondContact O-CD 3.1Å; F66-R73 PolarHBondContact O-NH1 3.26Å
67S63.8Low61.5Low41 Ų4187.1 Ų87.129%0.28746%0.46SS..EExtended strand (participates in β ladder)trans-53.5154.3170.1-1730000111.9V65 N69 N70V65-S67 PolarHBondContact O-N 2.79Å; S67-N69 PolarHBondContact O-N 3.25Å; S67-N69 VanDerWaalsContact O-N 3.09Å; S67-N70 WeakPolarHBondContact CB-OD1 3.14Å; S67-N70 WeakPolarHBondContact O-CB 3.22Å; S67-N70 PolarHBondContact O-N 3.2Å
68K62.8Low63.7Low116 Ų11684 Ų8450%0.50444%0.438SS..THydrogen-bonded Turntrans-51.5-31.1174.7-77.6177.9171.8168.60112.4N60N60-K68 WeakPolarHBondContact OD1-CE 3.44Å
69N61.5Low65.5Low142 Ų14282.8 Ų82.876%0.75942%0.422SS*.THydrogen-bonded Turntrans-86.5-7.8-177.3-62.33.1000114.1S67 L71S67-N69 PolarHBondContact O-N 3.25Å; S67-N69 VanDerWaalsContact O-N 3.09Å; N69-L71 PolarHBondContact O-N 3.23Å
70N68.2Low66.8Low58 Ų5880 Ų8031%0.3140%0.403SS..  trans-67.6129.9-179.1-72.523.2000110.1S67 I72 R73 K74S67-N70 WeakPolarHBondContact CB-OD1 3.14Å; S67-N70 WeakPolarHBondContact O-CB 3.22Å; S67-N70 PolarHBondContact O-N 3.2Å; N70-I72 PolarHBondContact O-N 3.38Å; N70-I72 VanDerWaalsContact O-N 3.11Å; N70-R73 PolarHBondContact O-N 3.12Å; N70-K74 PolarHBondContact O-N 3.26Å
71L75.5Confident67.5Low148 Ų14880.9 Ų80.978%0.77540%0.404SS*.Hα-helixtrans-49.3-41.5179.6-67.4172.8000112.5N69 R73 K74 A75N69-L71 PolarHBondContact O-N 3.23Å; L71-R73 PolarHBondContact O-N 3.3Å; L71-K74 PolarHBondContact O-N 3.43Å; L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 3.39Å
72I73.7Confident67.6Low100 Ų10082.7 Ų82.751%0.51341%0.411SS..Hα-helixtrans-59.4-43.3177.5-63166.3000112F66 N70 A76 I149F66-I72 HydrophobicContact CD1-CB 4.35Å; F66-I72 HydrophobicContact CD1-CG2 4.29Å; F66-I72 HydrophobicContact CE1-CB 4.28Å; F66-I72 HydrophobicContact CE1-CD1 3.94Å; F66-I72 HydrophobicContact CE1-CG2 4Å; N70-I72 PolarHBondContact O-N 3.38Å; N70-I72 VanDerWaalsContact O-N 3.11Å; I72-A76 WeakPolarHBondContact O-CB 3.19Å; I72-A76 PolarHBondContact O-N 3.29Å; I72-I149 HydrophobicContact CG2-CG2 4.38Å
73R72.9Confident67.5Low17 Ų1784.7 Ų84.76%0.06443%0.433CS..Hα-helixtrans-75.8-35.9-179.6-173.3168.6179.5-158.4-3.3111.9N60 F66 N70 L71 R77 I149N60-R73 PolarHBondContact O-NH1 2.61Å; F66-R73 HydrophobicContact CB-CB 4.34Å; F66-R73 VanDerWaalsContact O-CD 3.25Å; F66-R73 WeakPolarHBondContact O-CD 3.1Å; F66-R73 PolarHBondContact O-NH1 3.26Å; N70-R73 PolarHBondContact O-N 3.12Å; L71-R73 PolarHBondContact O-N 3.3Å; R73-R77 WeakPolarHBondContact O-CB 3.19Å; R73-R77 PolarHBondContact O-N 2.66Å; R73-I149 HydrophobicContact CB-CG2 4.41Å
74K74.3Confident66.8Low150 Ų15091.4 Ų91.465%0.65245%0.454SS*.Hα-helixtrans-65.3-40.1172.1-168.7174.3-178.5178.60111.3N70 L71 S78N70-K74 PolarHBondContact O-N 3.26Å; L71-K74 PolarHBondContact O-N 3.43Å; K74-S78 VanDerWaalsContact O-CB 3.23Å; K74-S78 WeakPolarHBondContact O-CB 3.31Å; K74-S78 PolarHBondContact O-N 3.46Å
75A76.1Confident66.2Low48 Ų4890.5 Ų90.540%0.39746%0.461SS..Hα-helixtrans-68.5-46.3175.300000112.4L71 R77 S78 I79L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 3.39Å; A75-R77 PolarHBondContact O-N 3.28Å; A75-S78 WeakPolarHBondContact O-CB 3.09Å; A75-S78 PolarHBondContact O-N 2.93Å; A75-S78 VanDerWaalsContact O-N 3.16Å; A75-I79 VanDerWaalsContact O-CG1 3.31Å; A75-I79 WeakPolarHBondContact O-CG1 3.39Å; A75-I79 PolarHBondContact O-N 3.42Å
76A74.5Confident65.2Low5 Ų596.4 Ų96.44%0.04148%0.48CS..Hα-helixtrans-61.4-42.3177.100000112.3I72 I80 L146 I149I72-A76 WeakPolarHBondContact O-CB 3.19Å; I72-A76 PolarHBondContact O-N 3.29Å; A76-I80 WeakPolarHBondContact O-CG1 3Å; A76-I80 PolarHBondContact O-N 3.06Å; A76-L146 HydrophobicContact CB-CD2 4.18Å; A76-I149 HydrophobicContact CB-CB 4.24Å; A76-I149 HydrophobicContact CB-CG2 3.71Å
77R73.2Confident64.1Low86 Ų86100.7 Ų100.733%0.32550%0.5SS..Hα-helixtrans-60.8-50.2169.7-81.3-172.2174.9-144.7-10.2111.6R73 A75 I79 I80 E81 A150R73-R77 WeakPolarHBondContact O-CB 3.19Å; R73-R77 PolarHBondContact O-N 2.66Å; A75-R77 PolarHBondContact O-N 3.28Å; R77-I79 VanDerWaalsContact C-N 3.34Å; R77-I79 PolarHBondContact O-N 3.46Å; R77-I80 PolarHBondContact O-N 3.32Å; R77-I80 VanDerWaalsContact O-N 3.13Å; R77-E81 WeakPolarHBondContact O-CB 3.26Å; R77-E81 VanDerWaalsContact O-CG 3.29Å; R77-E81 WeakPolarHBondContact O-CG 3.46Å; R77-E81 PolarHBondContact O-N 3.31Å; R77-A150 HydrophobicContact CG-CB 3.75Å; R77-A150 PolarHBondContact NE-O 2.88Å; R77-A150 PolarHBondContact NH2-O 2.78Å
78S71.6Confident62.8Low53 Ų53105.2 Ų105.237%0.37151%0.511SS..Hα-helixtrans-51.9-51.6177.5-165.80000111.2K74 A75 I80 E81 W82K74-S78 VanDerWaalsContact O-CB 3.23Å; K74-S78 WeakPolarHBondContact O-CB 3.31Å; K74-S78 PolarHBondContact O-N 3.46Å; A75-S78 WeakPolarHBondContact O-CB 3.09Å; A75-S78 PolarHBondContact O-N 2.93Å; A75-S78 VanDerWaalsContact O-N 3.16Å; S78-I80 VanDerWaalsContact C-N 3.31Å; S78-I80 PolarHBondContact O-N 2.68Å; S78-E81 CarbonylContact O-C 3.58Å; S78-E81 PolarHBondContact O-N 2.94Å; S78-E81 VanDerWaalsContact O-N 3.12Å; S78-W82 VanDerWaalsContact O-CA 3.27Å; S78-W82 WeakPolarHBondContact O-CA 3.35Å; S78-W82 WeakPolarHBondContact O-CB 3.33Å; S78-W82 PolarHBondContact O-N 2.91Å; S78-W82 PolarHBondContact OG-NE1 2.64Å
79I70.7Confident61.7Low84 Ų84104.3 Ų104.343%0.43151%0.511SS..Hα-helixtrans-58.5-38-179.7-68.7162.1000112.8A75 R77 F96A75-I79 VanDerWaalsContact O-CG1 3.31Å; A75-I79 WeakPolarHBondContact O-CG1 3.39Å; A75-I79 PolarHBondContact O-N 3.42Å; R77-I79 VanDerWaalsContact C-N 3.34Å; R77-I79 PolarHBondContact O-N 3.46Å; I79-F96 HydrophobicContact CG2-CD2 4.39Å
80I68.9Low60.6Low36 Ų36104.8 Ų104.819%0.18551%0.513CS..Hα-helixtrans-78.2-34.1177.2-68.9168.8000111.8A76 R77 S78 F96 L146 K147 A150A76-I80 WeakPolarHBondContact O-CG1 3Å; A76-I80 PolarHBondContact O-N 3.06Å; R77-I80 PolarHBondContact O-N 3.32Å; R77-I80 VanDerWaalsContact O-N 3.13Å; S78-I80 VanDerWaalsContact C-N 3.31Å; S78-I80 PolarHBondContact O-N 2.68Å; I80-F96 HydrophobicContact CG1-CD1 4.42Å; I80-F96 HydrophobicContact CG1-CE1 4.15Å; I80-F96 HydrophobicContact CG1-CZ 4.42Å; I80-L146 HydrophobicContact CD1-CB 4.07Å; I80-K147 HydrophobicContact CD1-CG 4.36Å; I80-A150 HydrophobicContact CD1-CB 3.8Å
81E64.9Low59.5Low115 Ų115109.7 Ų109.754%0.53754%0.537SS..SBendtrans-101.616.2-173.2-59.5166.8-178.200112.3R77 S78 G83R77-E81 WeakPolarHBondContact O-CB 3.26Å; R77-E81 VanDerWaalsContact O-CG 3.29Å; R77-E81 WeakPolarHBondContact O-CG 3.46Å; R77-E81 PolarHBondContact O-N 3.31Å; S78-E81 CarbonylContact O-C 3.58Å; S78-E81 PolarHBondContact O-N 2.94Å; S78-E81 VanDerWaalsContact O-N 3.12Å; E81-G83 PolarHBondContact O-N 2.87Å
82W55Low57.7Low192 Ų192109.6 Ų109.673%0.72753%0.534SS*.THydrogen-bonded Turntrans-73.650.4-168.5-131.459000114S78S78-W82 VanDerWaalsContact O-CA 3.27Å; S78-W82 WeakPolarHBondContact O-CA 3.35Å; S78-W82 WeakPolarHBondContact O-CB 3.33Å; S78-W82 PolarHBondContact O-N 2.91Å; S78-W82 PolarHBondContact OG-NE1 2.64Å
83G54.5Low56.6Low48 Ų48112.5 Ų112.550%0.49554%0.539SS..THydrogen-bonded Turntrans-139.90.1-16600000117.4E81E81-G83 PolarHBondContact O-N 2.87Å
84Y48.1Very low56.2Low220 Ų220117.8 Ų117.886%0.86356%0.563SS**  trans-149151.3176.1-77.9-73.8000113.1
85P49.8Very low55.9Low111 Ų111114.6 Ų114.672%0.72156%0.557SS**SBendcis-128.3116-7.533.4-14.1000114.1
86F43.8Very low55.8Low213 Ų213113.5 Ų113.593%0.93454%0.543SS*.SBendtrans-136.4140147.4-119.1-89.6000107.7
87H42.6Very low55.8Low131 Ų131116.7 Ų116.761%0.60656%0.558SS**  trans-118.6137.9-143.3-175.6-117000114.9
88W35.7Very low55.9Low137 Ų137116.3 Ų116.352%0.51956%0.557SS.*  trans102.1109.1150.5-119.144.7000121.8
89L40.6Very low56.4Low96 Ų96118.3 Ų118.350%0.50356%0.562SS.*SBend93.143.7125.3-149.5102.4000121.9Q2099L89-Q2099 WeakPolarHBondContact CD2-O 3.44Å
90L38.5Very low56.8Low153 Ų153114.6 Ų114.680%0.80154%0.543SS*.SBendtrans-158.4-36.8148.4-118.1159.7000117.9
91I44.3Very low57.2Low160 Ų160114.6 Ų114.682%0.82154%0.543SS*.  trans-130.197.7-177.7-55.5176000106.6
92M38.2Very low58.1Low146 Ų146112.7 Ų112.772%0.71954%0.542SS*.  65.7118.465.6-131.4-158.3173.600113
93W50.8Low59.6Low161 Ų161104.3 Ų104.361%0.6151%0.512SS*.  trans104.9126.9165.5-57.98.5000116.2P95 Y98W93-P95 WeakPolarHBondContact O-CD 3.2Å; W93-Y98 HydrophobicContact CB-CD2 3.51Å; W93-Y98 HydrophobicContact CB-CE2 3.69Å; W93-Y98 HydrophobicContact CB-CG 3.95Å; W93-Y98 AromaticContact CD1-CE1 3.88Å; W93-Y98 AromaticContact CD1-CE2 3.68Å; W93-Y98 AromaticContact CD1-CZ 3.42Å; W93-Y98 VanDerWaalsContact CD1-CZ 3.42Å; W93-Y98 AromaticContact CD2-CD1 3.33Å; W93-Y98 HydrophobicContact CD2-CD1 3.33Å; W93-Y98 AromaticContact CD2-CD2 3.97Å; W93-Y98 HydrophobicContact CD2-CD2 3.97Å; W93-Y98 AromaticContact CD2-CE1 3.38Å; W93-Y98 HydrophobicContact CD2-CE1 3.38Å; W93-Y98 HydrophobicContact CD2-CE2 4.02Å; W93-Y98 AromaticContact CD2-CG 3.61Å; W93-Y98 HydrophobicContact CD2-CG 3.61Å; W93-Y98 AromaticContact CD2-CZ 3.72Å; W93-Y98 AromaticContact CE2-CD1 3.7Å; W93-Y98 AromaticContact CE2-CE1 3.3Å; W93-Y98 AromaticContact CE2-CZ 3.71Å; W93-Y98 AromaticContact CE3-CD1 3.2Å; W93-Y98 HydrophobicContact CE3-CD1 3.2Å; W93-Y98 HydrophobicContact CE3-CD2 4.23Å; W93-Y98 AromaticContact CE3-CE1 3.77Å; W93-Y98 HydrophobicContact CE3-CE1 3.77Å; W93-Y98 AromaticContact CE3-CG 3.45Å; W93-Y98 HydrophobicContact CE3-CG 3.45Å; W93-Y98 VanDerWaalsContact CE3-CG 3.45Å; W93-Y98 AromaticContact CG-CD1 3.93Å; W93-Y98 HydrophobicContact CG-CD1 3.93Å; W93-Y98 AromaticContact CG-CD2 3.66Å; W93-Y98 HydrophobicContact CG-CD2 3.66Å; W93-Y98 AromaticContact CG-CE1 3.8Å; W93-Y98 HydrophobicContact CG-CE1 3.8Å; W93-Y98 AromaticContact CG-CE2 3.53Å; W93-Y98 HydrophobicContact CG-CE2 3.53Å; W93-Y98 AromaticContact CG-CG 3.83Å; W93-Y98 HydrophobicContact CG-CG 3.83Å; W93-Y98 AromaticContact CG-CZ 3.58Å; W93-Y98 AromaticContact CH2-CD1 3.84Å; W93-Y98 HydrophobicContact CH2-CD1 3.84Å; W93-Y98 AromaticContact CH2-CE1 3.97Å; W93-Y98 HydrophobicContact CH2-CE1 3.97Å; W93-Y98 AromaticContact CZ2-CD1 3.96Å; W93-Y98 HydrophobicContact CZ2-CD1 3.96Å; W93-Y98 AromaticContact CZ2-CE1 3.63Å; W93-Y98 HydrophobicContact CZ2-CE1 3.63Å; W93-Y98 AromaticContact CZ3-CD1 3.46Å; W93-Y98 HydrophobicContact CZ3-CD1 3.46Å; W93-Y98 VanDerWaalsContact CZ3-CD1 3.46Å; W93-Y98 HydrophobicContact CZ3-CE1 4.03Å; W93-Y98 HydrophobicContact CZ3-CG 4.1Å; W93-Y98 AromaticContact NE1-CE1 3.67Å; W93-Y98 AromaticContact NE1-CZ 3.58Å
94K64Low61Low128 Ų128102.2 Ų102.256%0.55749%0.49SS*.  trans-74111.3161.9-77.9179.3167.6-169.80106.8F96 E97 Y98K94-F96 VanDerWaalsContact C-N 3.33Å; K94-F96 PolarHBondContact O-N 2.79Å; K94-E97 HydrophobicContact CB-CB 4.11Å; K94-E97 HydrophobicContact CB-CG 3.82Å; K94-E97 HydrophobicContact CD-CG 3.52Å; K94-E97 HydrophobicContact CG-CG 4.39Å; K94-E97 IonicContact NZ-OE1 3.41Å; K94-E97 PolarHBondContact NZ-OE1 2.78Å; K94-E97 PolarHBondContact O-N 3.27Å; K94-Y98 WeakPolarHBondContact O-CD2 3.09Å; K94-Y98 PolarHBondContact O-N 2.84Å; K94-Y98 VanDerWaalsContact O-N 3.16Å
95P68.2Low62.7Low83 Ų8395.6 Ų95.654%0.53947%0.469SS..Hα-helixtrans-62-39.3-167.122.2-32.9000112.8W93 Y98 M99W93-P95 WeakPolarHBondContact O-CD 3.2Å; P95-Y98 PolarHBondContact O-N 3.33Å; P95-M99 VanDerWaalsContact O-CB 3.3Å; P95-M99 WeakPolarHBondContact O-CB 3.37Å; P95-M99 PolarHBondContact O-N 3.21Å
96F74.4Confident64.5Low25 Ų2592.4 Ų92.411%0.1145%0.451CS..Hα-helixtrans-62.5-48.8178.1-176.1-100.1000113.2I79 I80 K94 Y98 M99 V100 E143 L146I79-F96 HydrophobicContact CG2-CD2 4.39Å; I80-F96 HydrophobicContact CG1-CD1 4.42Å; I80-F96 HydrophobicContact CG1-CE1 4.15Å; I80-F96 HydrophobicContact CG1-CZ 4.42Å; K94-F96 VanDerWaalsContact C-N 3.33Å; K94-F96 PolarHBondContact O-N 2.79Å; F96-Y98 VanDerWaalsContact C-N 3.34Å; F96-Y98 PolarHBondContact O-N 2.98Å; F96-M99 HydrophobicContact CD2-CE 4.06Å; F96-M99 HydrophobicContact CE2-CE 4.13Å; F96-M99 PolarHBondContact O-N 3.42Å; F96-V100 HydrophobicContact CE1-CG2 4.3Å; F96-V100 HydrophobicContact CZ-CG2 4.37Å; F96-V100 WeakPolarHBondContact O-CG2 3.44Å; F96-V100 PolarHBondContact O-N 3.32Å; F96-E143 HydrophobicContact CZ-CG 4.27Å; F96-L146 HydrophobicContact CE2-CD1 3.86Å; F96-L146 HydrophobicContact CZ-CD1 4.17Å
97E73.2Confident66.5Low73 Ų7382.3 Ų82.334%0.34141%0.407SS..Hα-helixtrans-63.1-40.7179.5-57.1-75.8-168.600111.6K94 V100 L101K94-E97 HydrophobicContact CB-CB 4.11Å; K94-E97 HydrophobicContact CB-CG 3.82Å; K94-E97 HydrophobicContact CD-CG 3.52Å; K94-E97 HydrophobicContact CG-CG 4.39Å; K94-E97 IonicContact NZ-OE1 3.41Å; K94-E97 PolarHBondContact NZ-OE1 2.78Å; K94-E97 PolarHBondContact O-N 3.27Å; E97-V100 PolarHBondContact O-N 3.44Å; E97-L101 WeakPolarHBondContact O-CB 3.23Å; E97-L101 PolarHBondContact O-N 3.45Å
98Y76.7Confident68.5Low77 Ų7776.7 Ų76.730%0.30238%0.382SS..Hα-helixtrans-75.9-28.1179.4-81.5-93.3000113W93 K94 P95 F96 L101 S102W93-Y98 HydrophobicContact CB-CD2 3.51Å; W93-Y98 HydrophobicContact CB-CE2 3.69Å; W93-Y98 HydrophobicContact CB-CG 3.95Å; W93-Y98 AromaticContact CD1-CE1 3.88Å; W93-Y98 AromaticContact CD1-CE2 3.68Å; W93-Y98 AromaticContact CD1-CZ 3.42Å; W93-Y98 VanDerWaalsContact CD1-CZ 3.42Å; W93-Y98 AromaticContact CD2-CD1 3.33Å; W93-Y98 HydrophobicContact CD2-CD1 3.33Å; W93-Y98 AromaticContact CD2-CD2 3.97Å; W93-Y98 HydrophobicContact CD2-CD2 3.97Å; W93-Y98 AromaticContact CD2-CE1 3.38Å; W93-Y98 HydrophobicContact CD2-CE1 3.38Å; W93-Y98 HydrophobicContact CD2-CE2 4.02Å; W93-Y98 AromaticContact CD2-CG 3.61Å; W93-Y98 HydrophobicContact CD2-CG 3.61Å; W93-Y98 AromaticContact CD2-CZ 3.72Å; W93-Y98 AromaticContact CE2-CD1 3.7Å; W93-Y98 AromaticContact CE2-CE1 3.3Å; W93-Y98 AromaticContact CE2-CZ 3.71Å; W93-Y98 AromaticContact CE3-CD1 3.2Å; W93-Y98 HydrophobicContact CE3-CD1 3.2Å; W93-Y98 HydrophobicContact CE3-CD2 4.23Å; W93-Y98 AromaticContact CE3-CE1 3.77Å; W93-Y98 HydrophobicContact CE3-CE1 3.77Å; W93-Y98 AromaticContact CE3-CG 3.45Å; W93-Y98 HydrophobicContact CE3-CG 3.45Å; W93-Y98 VanDerWaalsContact CE3-CG 3.45Å; W93-Y98 AromaticContact CG-CD1 3.93Å; W93-Y98 HydrophobicContact CG-CD1 3.93Å; W93-Y98 AromaticContact CG-CD2 3.66Å; W93-Y98 HydrophobicContact CG-CD2 3.66Å; W93-Y98 AromaticContact CG-CE1 3.8Å; W93-Y98 HydrophobicContact CG-CE1 3.8Å; W93-Y98 AromaticContact CG-CE2 3.53Å; W93-Y98 HydrophobicContact CG-CE2 3.53Å; W93-Y98 AromaticContact CG-CG 3.83Å; W93-Y98 HydrophobicContact CG-CG 3.83Å; W93-Y98 AromaticContact CG-CZ 3.58Å; W93-Y98 AromaticContact CH2-CD1 3.84Å; W93-Y98 HydrophobicContact CH2-CD1 3.84Å; W93-Y98 AromaticContact CH2-CE1 3.97Å; W93-Y98 HydrophobicContact CH2-CE1 3.97Å; W93-Y98 AromaticContact CZ2-CD1 3.96Å; W93-Y98 HydrophobicContact CZ2-CD1 3.96Å; W93-Y98 AromaticContact CZ2-CE1 3.63Å; W93-Y98 HydrophobicContact CZ2-CE1 3.63Å; W93-Y98 AromaticContact CZ3-CD1 3.46Å; W93-Y98 HydrophobicContact CZ3-CD1 3.46Å; W93-Y98 VanDerWaalsContact CZ3-CD1 3.46Å; W93-Y98 HydrophobicContact CZ3-CE1 4.03Å; W93-Y98 HydrophobicContact CZ3-CG 4.1Å; W93-Y98 AromaticContact NE1-CE1 3.67Å; W93-Y98 AromaticContact NE1-CZ 3.58Å; K94-Y98 WeakPolarHBondContact O-CD2 3.09Å; K94-Y98 PolarHBondContact O-N 2.84Å; K94-Y98 VanDerWaalsContact O-N 3.16Å; P95-Y98 PolarHBondContact O-N 3.33Å; F96-Y98 VanDerWaalsContact C-N 3.34Å; F96-Y98 PolarHBondContact O-N 2.98Å; Y98-L101 HydrophobicContact CD1-CD2 4.08Å; Y98-L101 HydrophobicContact CE1-CD2 4.23Å; Y98-L101 PolarHBondContact O-N 2.76Å; Y98-S102 VanDerWaalsContact O-CB 3.3Å; Y98-S102 WeakPolarHBondContact O-CB 3.24Å; Y98-S102 PolarHBondContact O-N 2.72Å
99M82.5Confident70.9Confident96 Ų9673.9 Ų73.947%0.47338%0.38SS..Hα-helixtrans-63.3-45.8167.6-178.9-162.875.800110.8P95 F96 S102 T103P95-M99 VanDerWaalsContact O-CB 3.3Å; P95-M99 WeakPolarHBondContact O-CB 3.37Å; P95-M99 PolarHBondContact O-N 3.21Å; F96-M99 HydrophobicContact CD2-CE 4.06Å; F96-M99 HydrophobicContact CE2-CE 4.13Å; F96-M99 PolarHBondContact O-N 3.42Å; M99-S102 PolarHBondContact O-N 3.44Å; M99-T103 WeakPolarHBondContact O-CB 3.17Å; M99-T103 PolarHBondContact O-N 3.21Å; M99-T103 PolarHBondContact O-OG1 3.06Å
100V79.3Confident73.2Confident6 Ų670.4 Ų70.44%0.03636%0.363CS..Hα-helixtrans-61.3-47.3173.7168.40000110.5F96 E97 S102 T103 I104 E143F96-V100 HydrophobicContact CE1-CG2 4.3Å; F96-V100 HydrophobicContact CZ-CG2 4.37Å; F96-V100 WeakPolarHBondContact O-CG2 3.44Å; F96-V100 PolarHBondContact O-N 3.32Å; E97-V100 PolarHBondContact O-N 3.44Å; V100-S102 PolarHBondContact O-N 3.45Å; V100-T103 WeakPolarHBondContact O-CB 3.47Å; V100-T103 PolarHBondContact O-N 3.07Å; V100-T103 VanDerWaalsContact O-N 3.09Å; V100-I104 HydrophobicContact CG1-CD1 3.73Å; V100-I104 VanDerWaalsContact O-CD1 3.3Å; V100-I104 WeakPolarHBondContact O-CD1 3.32Å; V100-I104 VanDerWaalsContact O-CG1 3.29Å; V100-I104 WeakPolarHBondContact O-CG1 3.25Å; V100-I104 PolarHBondContact O-N 2.78Å; V100-E143 HydrophobicContact CG2-CG 3.95Å
101L76.8Confident75.4Confident35 Ų3563.6 Ų63.618%0.18333%0.327CS..Hα-helixtrans-57-46.1176.6-158.575.6000112.1E97 Y98 T103 I104 I105 L204E97-L101 WeakPolarHBondContact O-CB 3.23Å; E97-L101 PolarHBondContact O-N 3.45Å; Y98-L101 HydrophobicContact CD1-CD2 4.08Å; Y98-L101 HydrophobicContact CE1-CD2 4.23Å; Y98-L101 PolarHBondContact O-N 2.76Å; L101-T103 VanDerWaalsContact C-N 3.31Å; L101-T103 PolarHBondContact O-N 2.79Å; L101-I104 PolarHBondContact O-N 3.2Å; L101-I105 HydrophobicContact CG-CD1 4.37Å; L101-I105 VanDerWaalsContact O-CG1 3.32Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 2.72Å; L101-L204 HydrophobicContact CD1-CD2 3.74Å; L101-L204 HydrophobicContact CG-CD2 4.23Å
102S83.9Confident77.4Confident76 Ų7657.3 Ų57.353%0.53130%0.299SS..Hα-helixtrans-65.6-33.7176.4-167.90000112.4Y98 M99 V100 A106Y98-S102 VanDerWaalsContact O-CB 3.3Å; Y98-S102 WeakPolarHBondContact O-CB 3.24Å; Y98-S102 PolarHBondContact O-N 2.72Å; M99-S102 PolarHBondContact O-N 3.44Å; V100-S102 PolarHBondContact O-N 3.45Å; S102-A106 WeakPolarHBondContact O-CB 3.45Å; S102-A106 PolarHBondContact O-N 3Å
103T86.5Confident79.8Confident16 Ų1654.6 Ų54.610%0.09829%0.286CS..Hα-helixtrans-67.7-40.3175-55.30000111.1M99 V100 L101 A106 N107 F136 I139 F140M99-T103 WeakPolarHBondContact O-CB 3.17Å; M99-T103 PolarHBondContact O-N 3.21Å; M99-T103 PolarHBondContact O-OG1 3.06Å; V100-T103 WeakPolarHBondContact O-CB 3.47Å; V100-T103 PolarHBondContact O-N 3.07Å; V100-T103 VanDerWaalsContact O-N 3.09Å; L101-T103 VanDerWaalsContact C-N 3.31Å; L101-T103 PolarHBondContact O-N 2.79Å; T103-A106 PolarHBondContact O-N 3.44Å; T103-N107 WeakPolarHBondContact O-CB 3.32Å; T103-N107 PolarHBondContact O-N 3.36Å; T103-F136 HydrophobicContact CG2-CD1 3.76Å; T103-F136 HydrophobicContact CG2-CE1 4.24Å; T103-I139 HydrophobicContact CG2-CB 4.19Å; T103-I139 HydrophobicContact CG2-CD1 3.87Å; T103-I139 HydrophobicContact CG2-CG2 3.86Å; T103-F140 HydrophobicContact CG2-CE1 3.94Å; T103-F140 HydrophobicContact CG2-CZ 4.06Å
104I83.1Confident81.4Confident4 Ų448.2 Ų48.22%0.02126%0.263CS..Hα-helixtrans-64.3-47.3175.6-64150.7000110.1V100 L101 A106 N107 C108 F140 R200 K203V100-I104 HydrophobicContact CG1-CD1 3.73Å; V100-I104 VanDerWaalsContact O-CD1 3.3Å; V100-I104 WeakPolarHBondContact O-CD1 3.32Å; V100-I104 VanDerWaalsContact O-CG1 3.29Å; V100-I104 WeakPolarHBondContact O-CG1 3.25Å; V100-I104 PolarHBondContact O-N 2.78Å; L101-I104 PolarHBondContact O-N 3.2Å; I104-A106 PolarHBondContact O-N 3.13Å; I104-N107 WeakPolarHBondContact O-CB 3.5Å; I104-N107 PolarHBondContact O-N 2.72Å; I104-C108 PolarHBondContact O-N 3.12Å; I104-C108 PolarHBondContact O-SG 2.69Å; I104-F140 HydrophobicContact CG1-CE1 3.84Å; I104-F140 HydrophobicContact CG1-CZ 4.12Å; I104-R200 WeakPolarHBondContact CG2-O 3.49Å; I104-K203 HydrophobicContact CD1-CB 3.64Å; I104-K203 HydrophobicContact CD1-CD 3.34Å; I104-K203 HydrophobicContact CD1-CG 4.15Å; I104-K203 HydrophobicContact CG1-CB 4.43Å; I104-K203 HydrophobicContact CG1-CD 3.9Å
105I83.2Confident82.6Confident81 Ų8143.6 Ų43.642%0.41525%0.245SC..Hα-helixtrans-60.3-45177.2-67.2164.6000110.7L101 N107 C108 V109 L204L101-I105 HydrophobicContact CG-CD1 4.37Å; L101-I105 VanDerWaalsContact O-CG1 3.32Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 2.72Å; I105-N107 PolarHBondContact O-N 2.64Å; I105-C108 WeakPolarHBondContact O-CB 3.02Å; I105-C108 PolarHBondContact O-N 3.39Å; I105-C108 VanDerWaalsContact O-N 3.16Å; I105-V109 WeakPolarHBondContact O-CG2 3.46Å; I105-V109 PolarHBondContact O-N 2.93Å; I105-L204 HydrophobicContact CD1-CD2 4.32Å; I105-L204 HydrophobicContact CG1-CD2 3.96Å
106A88.8Confident83.4Confident43 Ų4341.5 Ų41.536%0.35523%0.228SC..Hα-helixtrans-60.6-42.4175.700000112.4S102 T103 I104 V109 V110 F136S102-A106 WeakPolarHBondContact O-CB 3.45Å; S102-A106 PolarHBondContact O-N 3Å; T103-A106 PolarHBondContact O-N 3.44Å; I104-A106 PolarHBondContact O-N 3.13Å; A106-V109 PolarHBondContact O-N 3.38Å; A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.34Å; A106-F136 HydrophobicContact CB-CE1 3.99Å; A106-F136 HydrophobicContact CB-CZ 4.16Å
107N85.6Confident84Confident2 Ų242.4 Ų42.41%0.01123%0.234CC..Hα-helixtrans-62.9-39.9173.1172104.6000112.1T103 I104 I105 V110 L111 F136 R200T103-N107 WeakPolarHBondContact O-CB 3.32Å; T103-N107 PolarHBondContact O-N 3.36Å; I104-N107 WeakPolarHBondContact O-CB 3.5Å; I104-N107 PolarHBondContact O-N 2.72Å; I105-N107 PolarHBondContact O-N 2.64Å; N107-V110 PolarHBondContact O-N 2.83Å; N107-L111 WeakPolarHBondContact ND2-CD1 3.26Å; N107-L111 WeakPolarHBondContact O-CG 3.19Å; N107-L111 PolarHBondContact O-N 3.48Å; N107-F136 HydrophobicContact CB-CD1 3.99Å; N107-F136 HydrophobicContact CB-CD2 4.06Å; N107-F136 HydrophobicContact CB-CE1 4.02Å; N107-F136 HydrophobicContact CB-CE2 4.1Å; N107-F136 HydrophobicContact CB-CG 4.02Å; N107-F136 HydrophobicContact CB-CZ 4.09Å; N107-R200 VanDerWaalsContact ND2-CD 3.29Å; N107-R200 WeakPolarHBondContact ND2-CD 3.49Å; N107-R200 WeakPolarHBondContact OD1-CD 3.49Å; N107-R200 PolarHBondContact OD1-NH1 3.17Å
108C84.2Confident84.6Confident13 Ų1341.1 Ų41.19%0.08823%0.232CC..Hα-helixtrans-64.6-39.2175.8-67.20000112I104 I105 L111 A112I104-C108 PolarHBondContact O-N 3.12Å; I104-C108 PolarHBondContact O-SG 2.69Å; I105-C108 WeakPolarHBondContact O-CB 3.02Å; I105-C108 PolarHBondContact O-N 3.39Å; I105-C108 VanDerWaalsContact O-N 3.16Å; C108-L111 PolarHBondContact O-N 2.67Å; C108-A112 WeakPolarHBondContact O-CB 3.46Å; C108-A112 PolarHBondContact O-N 3.18Å
109V86.9Confident84.9Confident78 Ų7845 Ų4547%0.47326%0.257SS..Hα-helixtrans-64.9-42.1173.31720000111I105 A106 A112 M113I105-V109 WeakPolarHBondContact O-CG2 3.46Å; I105-V109 PolarHBondContact O-N 2.93Å; A106-V109 PolarHBondContact O-N 3.38Å; V109-A112 CarbonylContact O-C 3.44Å; V109-A112 PolarHBondContact O-N 3.15Å; V109-M113 HydrophobicContact CG1-CG 4.46Å; V109-M113 HydrophobicContact CG1-SD 3.99Å; V109-M113 VanDerWaalsContact O-CG 3.32Å; V109-M113 WeakPolarHBondContact O-CG 3.34Å; V109-M113 PolarHBondContact O-N 3.24Å
110V88.4Confident84.6Confident22 Ų2249.1 Ų49.113%0.13327%0.273CS..Hα-helixtrans-59.1-48.9175159.60000111.6A106 N107 A112 M113 E114 L129 F136A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.34Å; N107-V110 PolarHBondContact O-N 2.83Å; V110-A112 VanDerWaalsContact C-N 3.3Å; V110-A112 PolarHBondContact O-N 3.42Å; V110-M113 PolarHBondContact O-N 3.11Å; V110-M113 VanDerWaalsContact O-N 3.09Å; V110-E114 PolarHBondContact O-N 2.94Å; V110-L129 HydrophobicContact CB-CD2 4.31Å; V110-L129 HydrophobicContact CG1-CB 4.19Å; V110-L129 HydrophobicContact CG1-CD2 3.99Å; V110-L129 HydrophobicContact CG2-CD2 3.97Å; V110-F136 HydrophobicContact CB-CE2 4.04Å; V110-F136 HydrophobicContact CG1-CE2 4.16Å; V110-F136 HydrophobicContact CG2-CE2 3.84Å; V110-F136 HydrophobicContact CG2-CZ 4Å
111L84.4Confident84.9Confident10 Ų1053.6 Ų53.65%0.05230%0.297CS..Hα-helixtrans-62.4-35.5176.1-69.9171.1000112.5N107 C108 M113 E114 L636N107-L111 WeakPolarHBondContact ND2-CD1 3.26Å; N107-L111 WeakPolarHBondContact O-CG 3.19Å; N107-L111 PolarHBondContact O-N 3.48Å; C108-L111 PolarHBondContact O-N 2.67Å; L111-M113 VanDerWaalsContact C-N 3.28Å; L111-M113 PolarHBondContact O-N 3.19Å; L111-E114 PolarHBondContact O-N 3.4Å; L111-L636 HydrophobicContact CB-CD1 4.1Å; L111-L636 HydrophobicContact CB-CD2 3.98Å; L111-L636 HydrophobicContact CD1-CD1 4.26Å
112A85.9Confident85.2Confident28 Ų2856.8 Ų56.823%0.23131%0.309CS..Hα-helixtrans-74.1-15.8175.700000113.9C108 V109 V110 F660C108-A112 WeakPolarHBondContact O-CB 3.46Å; C108-A112 PolarHBondContact O-N 3.18Å; V109-A112 CarbonylContact O-C 3.44Å; V109-A112 PolarHBondContact O-N 3.15Å; V110-A112 VanDerWaalsContact C-N 3.3Å; V110-A112 PolarHBondContact O-N 3.42Å; A112-F660 HydrophobicContact CB-CB 4.14Å; A112-F660 HydrophobicContact CB-CD1 3.84Å; A112-F660 HydrophobicContact CB-CD2 3.87Å; A112-F660 HydrophobicContact CB-CE1 4.22Å; A112-F660 HydrophobicContact CB-CE2 4.25Å; A112-F660 HydrophobicContact CB-CG 3.65Å; A112-F660 HydrophobicContact CB-CZ 4.41Å; A112-F660 VanDerWaalsContact O-CB 3.22Å; A112-F660 WeakPolarHBondContact O-CB 3.48Å
113M88.7Confident85.3Confident89 Ų8959.6 Ų59.644%0.43831%0.308SS..THydrogen-bonded Turntrans-91.9-7173.6-71.7178.16500113.2V109 V110 L111 V115 L125 L129V109-M113 HydrophobicContact CG1-CG 4.46Å; V109-M113 HydrophobicContact CG1-SD 3.99Å; V109-M113 VanDerWaalsContact O-CG 3.32Å; V109-M113 WeakPolarHBondContact O-CG 3.34Å; V109-M113 PolarHBondContact O-N 3.24Å; V110-M113 PolarHBondContact O-N 3.11Å; V110-M113 VanDerWaalsContact O-N 3.09Å; L111-M113 VanDerWaalsContact C-N 3.28Å; L111-M113 PolarHBondContact O-N 3.19Å; M113-V115 PolarHBondContact O-N 3.3Å; M113-L125 HydrophobicContact CE-CD1 4.35Å; M113-L125 HydrophobicContact CE-CD2 4.1Å; M113-L129 HydrophobicContact CB-CD1 3.7Å; M113-L129 HydrophobicContact CB-CD2 4.49Å
114E85.1Confident85.5Confident28 Ų2863.3 Ų63.313%0.13133%0.332CS..  trans-68.4126.8171.8-68.1-179.1-17600110.3V110 L111 H116 L129 M639 Q640V110-E114 PolarHBondContact O-N 2.94Å; L111-E114 PolarHBondContact O-N 3.4Å; E114-H116 IonicContact OE2-CE1 3.83Å; E114-L129 HydrophobicContact CG-CD1 4.34Å; E114-M639 WeakPolarHBondContact O-CE 3.18Å; E114-Q640 PolarHBondContact OE2-NE2 3.41Å
115V88.4Confident85.7Confident30 Ų3067.1 Ų67.118%0.18235%0.353CS..  trans-108.5127.9168.5178.20000108M113 L117 S126 T659M113-V115 PolarHBondContact O-N 3.3Å; V115-L117 HydrophobicContact CG1-CD1 4.18Å; V115-S126 PolarHBondContact O-OG 2.9Å; V115-T659 HydrophobicContact CG1-CG2 4.19Å; V115-T659 HydrophobicContact CG2-CG2 4.35Å
116H86.3Confident85.9Confident40 Ų4063.8 Ų63.819%0.18534%0.336CS..  trans-95.1141.2177.4-69.260.6000109.7E114 Q640 G643 D658E114-H116 IonicContact OE2-CE1 3.83Å; H116-Q640 PolarHBondContact NE2-NE2 3.49Å; H116-G643 VanDerWaalsContact CB-C 3.48Å; H116-G643 WeakPolarHBondContact CB-O 3.48Å; H116-D658 PolarHBondContact N-O 2.95Å
117L87.2Confident85.7Confident43 Ų4367.4 Ų67.423%0.22535%0.346CS..  trans-133.8154.6-179.3-69.1110000110V115 D121 R123V115-L117 HydrophobicContact CG1-CD1 4.18Å; L117-D121 HydrophobicContact CB-CB 3.99Å; L117-R123 HydrophobicContact CD1-CG 3.98Å
118P84.4Confident85.9Confident46 Ų4673.9 Ų73.930%0.29937%0.374SS..G310 helixtrans-58.8161.4178.322.7-33.9000112.5K120 D121 G644P118-K120 PolarHBondContact O-N 3Å; P118-D121 PolarHBondContact O-N 3.48Å; P118-D121 VanDerWaalsContact O-N 3.1Å; P118-G644 WeakPolarHBondContact CA-O 3.41Å; P118-G644 WeakPolarHBondContact CB-O 3.17Å
119N82.4Confident86.1Confident158 Ų15874 Ų7485%0.84537%0.373SS*.G310 helixtrans56.322.8170.8-63.9-45.2000115.8D121N119-D121 VanDerWaalsContact C-N 3.3Å
120K76.4Confident85.9Confident184 Ų18472.6 Ų72.680%0.836%0.362SS*.G310 helixtrans68.918.6-178-48.6167.4-175.61650114.7P118P118-K120 PolarHBondContact O-N 3Å
121D86.3Confident85.8Confident100 Ų10076 Ų7654%0.53538%0.378SS..  trans-62.8154.3170.4-175.733000111.5L117 P118 N119L117-D121 HydrophobicContact CB-CB 3.99Å; P118-D121 PolarHBondContact O-N 3.48Å; P118-D121 VanDerWaalsContact O-N 3.1Å; N119-D121 VanDerWaalsContact C-N 3.3Å
122K84Confident85.9Confident101 Ų10177.4 Ų77.444%0.43939%0.387SS..  trans-144.9129.5-175.5-70.3-178.3178.6177.70111.4E130K122-E130 IonicContact NZ-OE1 3.17Å; K122-E130 PolarHBondContact NZ-OE1 2.88Å; K122-E130 VanDerWaalsContact NZ-OE1 3.14Å; K122-E130 IonicContact NZ-OE2 3.53Å; K122-E130 PolarHBondContact NZ-OE2 2.75Å
123R86Confident85.8Confident135 Ų13577.4 Ų77.451%0.50938%0.383SS..  trans-62.8147.3165.7-71.1177.2-176.7-162.6-1110.3L117 L125 S126 E127L117-R123 HydrophobicContact CD1-CG 3.98Å; R123-L125 PolarHBondContact O-N 3.01Å; R123-S126 WeakPolarHBondContact O-CB 3.42Å; R123-S126 PolarHBondContact O-N 2.97Å; R123-E127 PolarHBondContact O-N 3.36Å
124P89.4Confident85.6Confident94 Ų9477.1 Ų77.161%0.6138%0.383SS*.THydrogen-bonded Turntrans-66.6-3.1175.928.7-37000113.8K128P124-K128 WeakPolarHBondContact O-CD 3.28Å; P124-K128 WeakPolarHBondContact O-CE 3.44Å; P124-K128 WeakPolarHBondContact O-CG 3.22Å
125L88.8Confident85.8Confident85 Ų8583.5 Ų83.545%0.44541%0.407SS..THydrogen-bonded Turntrans-81.6-49.4164.2-178.961.2000111M113 R123 E127 K128 L129M113-L125 HydrophobicContact CE-CD1 4.35Å; M113-L125 HydrophobicContact CE-CD2 4.1Å; R123-L125 PolarHBondContact O-N 3.01Å; L125-E127 VanDerWaalsContact C-N 3.3Å; L125-E127 PolarHBondContact O-N 3.34Å; L125-K128 WeakPolarHBondContact O-CB 3.46Å; L125-K128 PolarHBondContact O-N 3.17Å; L125-L129 HydrophobicContact CD1-CD1 4.48Å; L125-L129 HydrophobicContact CD1-CG 4.4Å; L125-L129 HydrophobicContact CG-CD1 4.01Å; L125-L129 HydrophobicContact CG-CG 4.38Å; L125-L129 WeakPolarHBondContact O-CG 3.44Å; L125-L129 PolarHBondContact O-N 3.44Å
126S85.7Confident85.8Confident10 Ų1083.1 Ų83.17%0.0740%0.403CS..Hα-helixtrans-57.5-40.2179.9-51.90000112.4V115 R123 K128 L129 E130V115-S126 PolarHBondContact O-OG 2.9Å; R123-S126 WeakPolarHBondContact O-CB 3.42Å; R123-S126 PolarHBondContact O-N 2.97Å; S126-K128 PolarHBondContact O-N 3.42Å; S126-L129 PolarHBondContact O-N 3.11Å; S126-E130 PolarHBondContact O-N 3.15Å
127E86.3Confident85.9Confident119 Ų11981.6 Ų81.656%0.55640%0.396SS*.Hα-helixtrans-61.2-42.2174.5-175.5-178.2-153.300112.3R123 L125 L129 E130 I131R123-E127 PolarHBondContact O-N 3.36Å; L125-E127 VanDerWaalsContact C-N 3.3Å; L125-E127 PolarHBondContact O-N 3.34Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.44Å; E127-E130 PolarHBondContact O-N 3.21Å; E127-I131 PolarHBondContact O-N 3.21Å
128K89Confident85.9Confident139 Ų13981.1 Ų81.160%0.60440%0.402SS*.Hα-helixtrans-68.3-33.4175.8-67.5173.4-173.5174.40112P124 L125 S126 I131P124-K128 WeakPolarHBondContact O-CD 3.28Å; P124-K128 WeakPolarHBondContact O-CE 3.44Å; P124-K128 WeakPolarHBondContact O-CG 3.22Å; L125-K128 WeakPolarHBondContact O-CB 3.46Å; L125-K128 PolarHBondContact O-N 3.17Å; S126-K128 PolarHBondContact O-N 3.42Å; K128-I131 PolarHBondContact O-N 2.97Å
129L88.3Confident86.2Confident14 Ų1481.9 Ų81.97%0.07340%0.403CS..Hα-helixtrans-67.7-42.1175.9-67.1170.9000111.5V110 M113 E114 L125 S126 E127 I131 T132V110-L129 HydrophobicContact CB-CD2 4.31Å; V110-L129 HydrophobicContact CG1-CB 4.19Å; V110-L129 HydrophobicContact CG1-CD2 3.99Å; V110-L129 HydrophobicContact CG2-CD2 3.97Å; M113-L129 HydrophobicContact CB-CD1 3.7Å; M113-L129 HydrophobicContact CB-CD2 4.49Å; E114-L129 HydrophobicContact CG-CD1 4.34Å; L125-L129 HydrophobicContact CD1-CD1 4.48Å; L125-L129 HydrophobicContact CD1-CG 4.4Å; L125-L129 HydrophobicContact CG-CD1 4.01Å; L125-L129 HydrophobicContact CG-CG 4.38Å; L125-L129 WeakPolarHBondContact O-CG 3.44Å; L125-L129 PolarHBondContact O-N 3.44Å; S126-L129 PolarHBondContact O-N 3.11Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.44Å; L129-I131 VanDerWaalsContact C-N 3.26Å; L129-I131 PolarHBondContact O-N 3.31Å; L129-T132 WeakPolarHBondContact O-CB 3.06Å; L129-T132 PolarHBondContact O-N 2.99Å; L129-T132 PolarHBondContact O-OG1 3.06Å
130E82.2Confident86.4Confident49 Ų4974.7 Ų74.723%0.22936%0.364CS..Hα-helixtrans-56.9-37.3174.5-82.9-173.3136.300112.4K122 S126 E127 T132 E133 R194K122-E130 IonicContact NZ-OE1 3.17Å; K122-E130 PolarHBondContact NZ-OE1 2.88Å; K122-E130 VanDerWaalsContact NZ-OE1 3.14Å; K122-E130 IonicContact NZ-OE2 3.53Å; K122-E130 PolarHBondContact NZ-OE2 2.75Å; S126-E130 PolarHBondContact O-N 3.15Å; E127-E130 PolarHBondContact O-N 3.21Å; E130-T132 VanDerWaalsContact C-N 3.26Å; E130-T132 PolarHBondContact O-N 2.88Å; E130-E133 PolarHBondContact O-N 2.78Å; E130-R194 IonicContact OE1-CZ 3.92Å; E130-R194 VanDerWaalsContact OE1-CZ 3.3Å; E130-R194 IonicContact OE1-NH1 3.6Å; E130-R194 PolarHBondContact OE1-NH1 2.7Å; E130-R194 IonicContact OE1-NH2 2.88Å; E130-R194 PolarHBondContact OE1-NH2 3.25Å
131I86Confident87Confident94 Ų9466.9 Ų66.948%0.48233%0.331SS..Hα-helixtrans-61.8-35.1175.3-62.4170.8000111.4E127 K128 L129 E133 N134E127-I131 PolarHBondContact O-N 3.21Å; K128-I131 PolarHBondContact O-N 2.97Å; L129-I131 VanDerWaalsContact C-N 3.26Å; L129-I131 PolarHBondContact O-N 3.31Å; I131-E133 PolarHBondContact O-N 2.95Å; I131-N134 PolarHBondContact O-N 2.78Å
132T87.8Confident87.1Confident39 Ų3965.7 Ų65.724%0.23933%0.33CS..Hα-helixtrans-67.1-22.7-178.371.30000113.7L129 E130 N134 Y135 F136L129-T132 WeakPolarHBondContact O-CB 3.06Å; L129-T132 PolarHBondContact O-N 2.99Å; L129-T132 PolarHBondContact O-OG1 3.06Å; E130-T132 VanDerWaalsContact C-N 3.26Å; E130-T132 PolarHBondContact O-N 2.88Å; T132-N134 VanDerWaalsContact C-N 3.26Å; T132-N134 PolarHBondContact O-N 3.38Å; T132-Y135 WeakPolarHBondContact O-CB 3.33Å; T132-Y135 PolarHBondContact O-N 3.49Å; T132-Y135 VanDerWaalsContact O-N 3.1Å; T132-F136 WeakPolarHBondContact O-CD2 3.34Å; T132-F136 PolarHBondContact O-N 2.85Å
133E82.7Confident87.3Confident29 Ų2961.3 Ų61.314%0.13631%0.311CS..Hα-helixtrans-61.2-35.4178.9-179.8166.9-137.500112.6E130 I131 Y135 F136 L137 R197 R200E130-E133 PolarHBondContact O-N 2.78Å; I131-E133 PolarHBondContact O-N 2.95Å; E133-Y135 PolarHBondContact O-N 2.76Å; E133-F136 PolarHBondContact O-N 2.71Å; E133-F136 VanDerWaalsContact O-N 3.07Å; E133-L137 WeakPolarHBondContact O-CB 3.26Å; E133-L137 PolarHBondContact O-N 3.33Å; E133-R197 VanDerWaalsContact CD-NH1 3.32Å; E133-R197 VanDerWaalsContact OE1-CD 3.26Å; E133-R197 WeakPolarHBondContact OE1-CD 3.3Å; E133-R197 IonicContact OE1-CZ 4Å; E133-R197 IonicContact OE1-NE 2.69Å; E133-R197 PolarHBondContact OE1-NE 2.84Å; E133-R197 IonicContact OE1-NH1 3.36Å; E133-R197 PolarHBondContact OE1-NH1 3.46Å; E133-R197 IonicContact OE1-NH2 2.69Å; E133-R197 IonicContact OE2-CZ 2.69Å; E133-R197 IonicContact OE2-NE 2.71Å; E133-R197 IonicContact OE2-NH1 3.09Å; E133-R197 PolarHBondContact OE2-NH1 2.84Å; E133-R197 IonicContact OE2-NH2 3.44Å; E133-R197 PolarHBondContact OE2-NH2 2.76Å; E133-R200 IonicContact OE1-CZ 3.81Å; E133-R200 IonicContact OE1-NH1 3.97Å; E133-R200 PolarHBondContact OE1-NH1 2.92Å; E133-R200 IonicContact OE1-NH2 3.2Å; E133-R200 PolarHBondContact OE1-NH2 2.93Å
134N85.3Confident87.3Confident83 Ų8355.2 Ų55.244%0.44429%0.29SS..Hα-helixtrans-60-33.2178.6-67.6-46000111.7I131 T132 G138I131-N134 PolarHBondContact O-N 2.78Å; T132-N134 VanDerWaalsContact C-N 3.26Å; T132-N134 PolarHBondContact O-N 3.38Å; N134-G138 PolarHBondContact O-N 3.46Å
135Y89.2Confident87.2Confident162 Ų16256.6 Ų56.664%0.63529%0.286SS*.Hα-helixtrans-71.8-44.2173.1-54.9-56.6000111.9T132 E133 G138 I139T132-Y135 WeakPolarHBondContact O-CB 3.33Å; T132-Y135 PolarHBondContact O-N 3.49Å; T132-Y135 VanDerWaalsContact O-N 3.1Å; E133-Y135 PolarHBondContact O-N 2.76Å; Y135-G138 PolarHBondContact O-N 2.92Å; Y135-I139 WeakPolarHBondContact O-CG1 3.38Å; Y135-I139 PolarHBondContact O-N 2.96Å
136F88.5Confident87Confident22 Ų2254.7 Ų54.710%0.09628%0.276CS..Hα-helixtrans-62.2-45176.4-65.9-53.4000112.3T103 A106 N107 V110 T132 E133 G138 I139 F140T103-F136 HydrophobicContact CG2-CD1 3.76Å; T103-F136 HydrophobicContact CG2-CE1 4.24Å; A106-F136 HydrophobicContact CB-CE1 3.99Å; A106-F136 HydrophobicContact CB-CZ 4.16Å; N107-F136 HydrophobicContact CB-CD1 3.99Å; N107-F136 HydrophobicContact CB-CD2 4.06Å; N107-F136 HydrophobicContact CB-CE1 4.02Å; N107-F136 HydrophobicContact CB-CE2 4.1Å; N107-F136 HydrophobicContact CB-CG 4.02Å; N107-F136 HydrophobicContact CB-CZ 4.09Å; V110-F136 HydrophobicContact CB-CE2 4.04Å; V110-F136 HydrophobicContact CG1-CE2 4.16Å; V110-F136 HydrophobicContact CG2-CE2 3.84Å; V110-F136 HydrophobicContact CG2-CZ 4Å; T132-F136 WeakPolarHBondContact O-CD2 3.34Å; T132-F136 PolarHBondContact O-N 2.85Å; E133-F136 PolarHBondContact O-N 2.71Å; E133-F136 VanDerWaalsContact O-N 3.07Å; F136-G138 VanDerWaalsContact C-N 3.32Å; F136-G138 PolarHBondContact O-N 2.83Å; F136-I139 PolarHBondContact O-N 2.9Å; F136-F140 HydrophobicContact CB-CD2 4.41Å; F136-F140 HydrophobicContact CB-CE2 3.98Å; F136-F140 WeakPolarHBondContact O-CD2 3.17Å; F136-F140 WeakPolarHBondContact O-CG 3.5Å; F136-F140 PolarHBondContact O-N 2.91Å
137L87.1Confident87Confident7 Ų755.5 Ų55.54%0.03728%0.279CS..Hα-helixtrans-60.3-42174.4-178.858.4000110.9E133 T141 V173 F177E133-L137 WeakPolarHBondContact O-CB 3.26Å; E133-L137 PolarHBondContact O-N 3.33Å; L137-T141 WeakPolarHBondContact O-CB 3.39Å; L137-T141 PolarHBondContact O-N 3.08Å; L137-T141 PolarHBondContact O-OG1 2.97Å; L137-V173 HydrophobicContact CD1-CG1 4.39Å; L137-F177 HydrophobicContact CD1-CD2 4.35Å; L137-F177 HydrophobicContact CD1-CE2 4.35Å; L137-F177 HydrophobicContact CD2-CD1 4.31Å; L137-F177 HydrophobicContact CD2-CE1 4.42Å; L137-F177 HydrophobicContact CD2-CG 4.47Å
138G89.1Confident87Confident34 Ų3450.5 Ų50.535%0.35126%0.255SS..Hα-helixtrans-58.4-45.5173.400000113.1N134 Y135 F136 T141 C142N134-G138 PolarHBondContact O-N 3.46Å; Y135-G138 PolarHBondContact O-N 2.92Å; F136-G138 VanDerWaalsContact C-N 3.32Å; F136-G138 PolarHBondContact O-N 2.83Å; G138-T141 WeakPolarHBondContact O-CB 3.44Å; G138-T141 PolarHBondContact O-N 2.88Å; G138-C142 PolarHBondContact O-N 3.29Å; G138-C142 PolarHBondContact O-SG 2.77Å
139I88.9Confident86.7Confident62 Ų6245.1 Ų45.132%0.31823%0.233SC..Hα-helixtrans-66.7-48178.9-63.2161.1000111.2T103 Y135 F136 T141 C142 E143T103-I139 HydrophobicContact CG2-CB 4.19Å; T103-I139 HydrophobicContact CG2-CD1 3.87Å; T103-I139 HydrophobicContact CG2-CG2 3.86Å; Y135-I139 WeakPolarHBondContact O-CG1 3.38Å; Y135-I139 PolarHBondContact O-N 2.96Å; F136-I139 PolarHBondContact O-N 2.9Å; I139-T141 VanDerWaalsContact C-N 3.26Å; I139-T141 PolarHBondContact O-N 3.13Å; I139-C142 WeakPolarHBondContact O-CB 3.13Å; I139-C142 PolarHBondContact O-N 3.21Å; I139-C142 VanDerWaalsContact O-N 3.14Å; I139-E143 PolarHBondContact O-N 2.95Å
140F87.5Confident86.3Confident7 Ų744.6 Ų44.63%0.03123%0.231CC..Hα-helixtrans-64.9-30.8177.3-60.4-42.2000112.4T103 I104 F136 E143 A144 V173T103-F140 HydrophobicContact CG2-CE1 3.94Å; T103-F140 HydrophobicContact CG2-CZ 4.06Å; I104-F140 HydrophobicContact CG1-CE1 3.84Å; I104-F140 HydrophobicContact CG1-CZ 4.12Å; F136-F140 HydrophobicContact CB-CD2 4.41Å; F136-F140 HydrophobicContact CB-CE2 3.98Å; F136-F140 WeakPolarHBondContact O-CD2 3.17Å; F136-F140 WeakPolarHBondContact O-CG 3.5Å; F136-F140 PolarHBondContact O-N 2.91Å; F140-E143 WeakPolarHBondContact O-CB 3.41Å; F140-E143 PolarHBondContact O-N 3.02Å; F140-A144 WeakPolarHBondContact O-CB 2.88Å; F140-A144 PolarHBondContact O-N 2.61Å; F140-V173 HydrophobicContact CB-CG2 3.77Å
141T89.4Confident86.1Confident19 Ų1945.1 Ų45.112%0.11724%0.235CC..Hα-helixtrans-65.4-45.1171.6-62.30000111L137 G138 I139 A144 F145 F177L137-T141 WeakPolarHBondContact O-CB 3.39Å; L137-T141 PolarHBondContact O-N 3.08Å; L137-T141 PolarHBondContact O-OG1 2.97Å; G138-T141 WeakPolarHBondContact O-CB 3.44Å; G138-T141 PolarHBondContact O-N 2.88Å; I139-T141 VanDerWaalsContact C-N 3.26Å; I139-T141 PolarHBondContact O-N 3.13Å; T141-A144 PolarHBondContact O-N 3.11Å; T141-F145 HydrophobicContact CG2-CD2 3.62Å; T141-F145 HydrophobicContact CG2-CE2 3.57Å; T141-F145 VanDerWaalsContact O-CD2 3.28Å; T141-F145 WeakPolarHBondContact O-CD2 3.28Å; T141-F145 PolarHBondContact O-N 2.82Å; T141-F177 HydrophobicContact CG2-CE2 3.94Å; T141-F177 HydrophobicContact CG2-CZ 3.96Å; T141-F177 VanDerWaalsContact OG1-CE2 3.23Å; T141-F177 WeakPolarHBondContact OG1-CE2 3.49Å; T141-F177 WeakPolarHBondContact OG1-CZ 3.03Å
142C88.6Confident85.8Confident76 Ų7641 Ų4151%0.51422%0.215SC..Hα-helixtrans-63.2-42.2174.9-65.60000111.9G138 I139 F145 L146G138-C142 PolarHBondContact O-N 3.29Å; G138-C142 PolarHBondContact O-SG 2.77Å; I139-C142 WeakPolarHBondContact O-CB 3.13Å; I139-C142 PolarHBondContact O-N 3.21Å; I139-C142 VanDerWaalsContact O-N 3.14Å; C142-F145 PolarHBondContact O-N 3.09Å; C142-L146 WeakPolarHBondContact O-CB 3.42Å; C142-L146 VanDerWaalsContact O-CG 3.28Å; C142-L146 WeakPolarHBondContact O-CG 3.36Å; C142-L146 PolarHBondContact O-N 2.86Å
143E86.6Confident85.5Confident9 Ų942.5 Ų42.54%0.04222%0.219CC..Hα-helixtrans-55.3-52173.2-175.5-162.8170.100111F96 V100 I139 F140 L146 K147 K203F96-E143 HydrophobicContact CZ-CG 4.27Å; V100-E143 HydrophobicContact CG2-CG 3.95Å; I139-E143 PolarHBondContact O-N 2.95Å; F140-E143 WeakPolarHBondContact O-CB 3.41Å; F140-E143 PolarHBondContact O-N 3.02Å; E143-L146 PolarHBondContact O-N 3.01Å; E143-K147 HydrophobicContact CG-CD 4.33Å; E143-K147 WeakPolarHBondContact O-CG 3.25Å; E143-K147 PolarHBondContact O-N 2.84Å; E143-K147 VanDerWaalsContact OE1-CE 3.24Å; E143-K147 WeakPolarHBondContact OE1-CE 3.16Å; E143-K147 IonicContact OE1-NZ 3.31Å; E143-K147 PolarHBondContact OE1-NZ 2.92Å; E143-K203 IonicContact OE1-NZ 3.08Å; E143-K203 PolarHBondContact OE1-NZ 3.45Å; E143-K203 IonicContact OE2-NZ 2.72Å; E143-K203 PolarHBondContact OE2-NZ 2.95Å
144A86.4Confident85.5Confident7 Ų745.4 Ų45.46%0.05823%0.234CC..Hα-helixtrans-62.4-47.218000000112F140 T141 L146 K147 I148F140-A144 WeakPolarHBondContact O-CB 2.88Å; F140-A144 PolarHBondContact O-N 2.61Å; T141-A144 PolarHBondContact O-N 3.11Å; A144-L146 PolarHBondContact O-N 3.38Å; A144-K147 PolarHBondContact O-N 3.24Å; A144-I148 WeakPolarHBondContact O-CB 3.38Å; A144-I148 WeakPolarHBondContact O-CD1 3.09Å; A144-I148 WeakPolarHBondContact O-CG1 3.14Å; A144-I148 PolarHBondContact O-N 3.1Å
145F87.5Confident84.8Confident123 Ų12348 Ų4854%0.53925%0.248SC..Hα-helixtrans-61.9-43.6177.8-85.7-64.5000112.6T141 C142 I148 I149T141-F145 HydrophobicContact CG2-CD2 3.62Å; T141-F145 HydrophobicContact CG2-CE2 3.57Å; T141-F145 VanDerWaalsContact O-CD2 3.28Å; T141-F145 WeakPolarHBondContact O-CD2 3.28Å; T141-F145 PolarHBondContact O-N 2.82Å; C142-F145 PolarHBondContact O-N 3.09Å; F145-I148 PolarHBondContact O-N 2.78Å; F145-I149 WeakPolarHBondContact O-CB 3.14Å; F145-I149 WeakPolarHBondContact O-CD1 3.43Å; F145-I149 VanDerWaalsContact O-CG1 3.25Å; F145-I149 WeakPolarHBondContact O-CG1 3.21Å; F145-I149 PolarHBondContact O-N 3.27Å
146L85.5Confident83.9Confident45 Ų4545.5 Ų45.524%0.23624%0.241CC..Hα-helixtrans-60.5-47.5176.3-73.5169.2000111.2A76 I80 F96 C142 E143 A144 I148 I149 A150A76-L146 HydrophobicContact CB-CD2 4.18Å; I80-L146 HydrophobicContact CD1-CB 4.07Å; F96-L146 HydrophobicContact CE2-CD1 3.86Å; F96-L146 HydrophobicContact CZ-CD1 4.17Å; C142-L146 WeakPolarHBondContact O-CB 3.42Å; C142-L146 VanDerWaalsContact O-CG 3.28Å; C142-L146 WeakPolarHBondContact O-CG 3.36Å; C142-L146 PolarHBondContact O-N 2.86Å; E143-L146 PolarHBondContact O-N 3.01Å; A144-L146 PolarHBondContact O-N 3.38Å; L146-I148 PolarHBondContact O-N 2.68Å; L146-I149 PolarHBondContact O-N 2.84Å; L146-A150 WeakPolarHBondContact O-CB 3.34Å; L146-A150 PolarHBondContact O-N 2.85Å
147K84.8Confident83Confident27 Ų2748.1 Ų48.112%0.11726%0.263CS..Hα-helixtrans-60.6-43.8176.1-72.2179.2-176.8176.80111.9I80 E143 A144 A150 L151 Y160 D169I80-K147 HydrophobicContact CD1-CG 4.36Å; E143-K147 HydrophobicContact CG-CD 4.33Å; E143-K147 WeakPolarHBondContact O-CG 3.25Å; E143-K147 PolarHBondContact O-N 2.84Å; E143-K147 VanDerWaalsContact OE1-CE 3.24Å; E143-K147 WeakPolarHBondContact OE1-CE 3.16Å; E143-K147 IonicContact OE1-NZ 3.31Å; E143-K147 PolarHBondContact OE1-NZ 2.92Å; A144-K147 PolarHBondContact O-N 3.24Å; K147-A150 PolarHBondContact O-N 2.87Å; K147-L151 VanDerWaalsContact O-CB 3.31Å; K147-L151 WeakPolarHBondContact O-CB 3.39Å; K147-L151 WeakPolarHBondContact O-CG 3.22Å; K147-L151 PolarHBondContact O-N 3.31Å; K147-Y160 HydrophobicContact CB-CD2 3.64Å; K147-Y160 HydrophobicContact CB-CE2 3.71Å; K147-Y160 HydrophobicContact CD-CD2 4.2Å; K147-Y160 HydrophobicContact CD-CE2 3.65Å; K147-Y160 HydrophobicContact CG-CE2 4.35Å; K147-D169 IonicContact NZ-OD2 3.57Å; K147-D169 PolarHBondContact NZ-OD2 2.93Å
148I86.3Confident82.2Confident13 Ų1349.8 Ų49.87%0.06728%0.281CS..Hα-helixtrans-65-40.2179.3-70.2166.1000111.8L63 A144 F145 L146 G152 F153 Y160L63-I148 HydrophobicContact CD1-CG2 4.16Å; L63-I148 HydrophobicContact CD2-CG2 4.13Å; L63-I148 HydrophobicContact CG-CG2 4.28Å; A144-I148 WeakPolarHBondContact O-CB 3.38Å; A144-I148 WeakPolarHBondContact O-CD1 3.09Å; A144-I148 WeakPolarHBondContact O-CG1 3.14Å; A144-I148 PolarHBondContact O-N 3.1Å; F145-I148 PolarHBondContact O-N 2.78Å; L146-I148 PolarHBondContact O-N 2.68Å; I148-G152 CarbonylContact O-C 3.59Å; I148-G152 WeakPolarHBondContact O-CA 3.27Å; I148-G152 PolarHBondContact O-N 2.91Å; I148-F153 HydrophobicContact CD1-CD2 4.03Å; I148-F153 HydrophobicContact CD1-CE2 4.09Å; I148-F153 HydrophobicContact CG1-CD2 4.11Å; I148-F153 HydrophobicContact CG2-CB 4.28Å; I148-F153 HydrophobicContact CG2-CD2 4.08Å; I148-Y160 HydrophobicContact CD1-CD1 3.88Å; I148-Y160 HydrophobicContact CD1-CE1 3.92Å; I148-Y160 HydrophobicContact CG1-CD1 3.42Å; I148-Y160 VanDerWaalsContact CG1-CD1 3.42Å; I148-Y160 HydrophobicContact CG1-CD2 4.32Å; I148-Y160 HydrophobicContact CG1-CE1 3.87Å; I148-Y160 HydrophobicContact CG1-CG 3.67Å
149I84.1Confident81.8Confident27 Ų2748.4 Ų48.414%0.13827%0.266CS..Hα-helixtrans-68-40.8177.1-68.7165.3000111I72 R73 A76 F145 L146I72-I149 HydrophobicContact CG2-CG2 4.38Å; R73-I149 HydrophobicContact CB-CG2 4.41Å; A76-I149 HydrophobicContact CB-CB 4.24Å; A76-I149 HydrophobicContact CB-CG2 3.71Å; F145-I149 WeakPolarHBondContact O-CB 3.14Å; F145-I149 WeakPolarHBondContact O-CD1 3.43Å; F145-I149 VanDerWaalsContact O-CG1 3.25Å; F145-I149 WeakPolarHBondContact O-CG1 3.21Å; F145-I149 PolarHBondContact O-N 3.27Å; L146-I149 PolarHBondContact O-N 2.84Å
150A79Confident81.6Confident2 Ų245.4 Ų45.42%0.01725%0.251CS..Hα-helixtrans-72.4-45.5-178.500000113.6R77 I80 L146 K147R77-A150 HydrophobicContact CG-CB 3.75Å; R77-A150 PolarHBondContact NE-O 2.88Å; R77-A150 PolarHBondContact NH2-O 2.78Å; I80-A150 HydrophobicContact CD1-CB 3.8Å; L146-A150 WeakPolarHBondContact O-CB 3.34Å; L146-A150 PolarHBondContact O-N 2.85Å; K147-A150 PolarHBondContact O-N 2.87Å
151L78.6Confident81.5Confident61 Ų6146.8 Ų46.832%0.31926%0.258SS..Hα-helixtrans-95.2-26.5-172.9-58.1175.3000113.7K147K147-L151 VanDerWaalsContact O-CB 3.31Å; K147-L151 WeakPolarHBondContact O-CB 3.39Å; K147-L151 WeakPolarHBondContact O-CG 3.22Å; K147-L151 PolarHBondContact O-N 3.31Å
152G78.7Confident81.2Confident7 Ų753.8 Ų53.87%0.07228%0.282CS..  trans86.1165.5-165.400000112.3I148 Y160I148-G152 CarbonylContact O-C 3.59Å; I148-G152 WeakPolarHBondContact O-CA 3.27Å; I148-G152 PolarHBondContact O-N 2.91Å; G152-Y160 VanDerWaalsContact O-CB 3.27Å; G152-Y160 WeakPolarHBondContact O-CB 3.39Å; G152-Y160 PolarHBondContact O-N 3.45Å
153F81.9Confident80.8Confident70 Ų7053.6 Ų53.631%0.30728%0.277SS..SBendtrans-88.2-70.2-167.7-167.3-129.2000113.9L63 I148 S159 Y160 L161 F170L63-F153 HydrophobicContact CD2-CB 4.29Å; I148-F153 HydrophobicContact CD1-CD2 4.03Å; I148-F153 HydrophobicContact CD1-CE2 4.09Å; I148-F153 HydrophobicContact CG1-CD2 4.11Å; I148-F153 HydrophobicContact CG2-CB 4.28Å; I148-F153 HydrophobicContact CG2-CD2 4.08Å; F153-S159 VanDerWaalsContact O-CB 3.3Å; F153-S159 WeakPolarHBondContact O-CB 3.41Å; F153-S159 PolarHBondContact O-OG 3.06Å; F153-Y160 PolarHBondContact O-N 2.83Å; F153-L161 HydrophobicContact CD2-CD1 4.06Å; F153-L161 HydrophobicContact CD2-CG 4.24Å; F153-L161 HydrophobicContact CE1-CD1 4.11Å; F153-L161 HydrophobicContact CE2-CD1 3.51Å; F153-L161 HydrophobicContact CE2-CG 3.98Å; F153-L161 HydrophobicContact CZ-CD1 3.53Å; F153-L161 HydrophobicContact CZ-CG 4.49Å; F153-L161 PolarHBondContact O-N 3.48Å; F153-F170 AromaticContact CE2-CE2 3.99Å; F153-F170 HydrophobicContact CE2-CE2 3.99Å; F153-F170 HydrophobicContact CE2-CZ 4.17Å; F153-F170 HydrophobicContact CZ-CE2 4.24Å; F153-F170 AromaticContact CZ-CZ 3.97Å; F153-F170 HydrophobicContact CZ-CZ 3.97Å
154I82.3Confident80.6Confident90 Ų9059.7 Ų59.746%0.46231%0.308SS..SBendtrans-126.4-39.2-174.8-64.6167.8000113.4H156 S159 L161I154-H156 VanDerWaalsContact C-N 3.29Å; I154-H156 PolarHBondContact O-N 3.46Å; I154-S159 WeakPolarHBondContact CA-OG 3.49Å; I154-S159 PolarHBondContact O-OG 3.35Å; I154-L161 HydrophobicContact CD1-CD1 4.12Å; I154-L161 HydrophobicContact CG1-CB 4.27Å; I154-L161 HydrophobicContact CG1-CD1 3.83Å
155L70.3Confident80.2Confident139 Ų13962.1 Ų62.173%0.72832%0.316SS*.SBendtrans-72.6-11.7-163.5-67.9164.8000115.7F64F64-L155 HydrophobicContact CE1-CD1 4.15Å; F64-L155 HydrophobicContact CE2-CD1 3.9Å; F64-L155 HydrophobicContact CZ-CD1 3.45Å; F64-L155 VanDerWaalsContact CZ-CD1 3.45Å
156H70.3Confident80Confident108 Ų10856.9 Ų56.950%0.529%0.293SS..SBendtrans-105.9147.4-176.3-177-106.6000110.5I154 G158 S159 R162I154-H156 VanDerWaalsContact C-N 3.29Å; I154-H156 PolarHBondContact O-N 3.46Å; H156-G158 VanDerWaalsContact C-N 3.3Å; H156-G158 PolarHBondContact ND1-N 3.43Å; H156-G158 PolarHBondContact O-N 2.67Å; H156-S159 WeakPolarHBondContact O-CB 3.43Å; H156-S159 PolarHBondContact O-N 2.82Å; H156-S159 PolarHBondContact O-OG 2.9Å; H156-S159 VanDerWaalsContact O-OG 3.13Å; H156-R162 VanDerWaalsContact O-CD 3.3Å; H156-R162 WeakPolarHBondContact O-CD 3.12Å; H156-R162 PolarHBondContact O-NE 3.35Å
157S71.3Confident80Confident78 Ų7858.3 Ų58.355%0.54530%0.3SS..THydrogen-bonded Turntrans-57.9-40.4-178.852.80000113R162S157-R162 WeakPolarHBondContact O-CD 3.45Å
158G70.1Confident79.8Confident42 Ų4258.5 Ų58.543%0.43330%0.303SS..THydrogen-bonded Turntrans-98.238.9171.100000114H156H156-G158 VanDerWaalsContact C-N 3.3Å; H156-G158 PolarHBondContact ND1-N 3.43Å; H156-G158 PolarHBondContact O-N 2.67Å
159S79.5Confident79.5Confident4 Ų458.3 Ų58.33%0.02830%0.302CS..  trans-79.6162.817775.20000112.9F153 I154 H156 L161 R162F153-S159 VanDerWaalsContact O-CB 3.3Å; F153-S159 WeakPolarHBondContact O-CB 3.41Å; F153-S159 PolarHBondContact O-OG 3.06Å; I154-S159 WeakPolarHBondContact CA-OG 3.49Å; I154-S159 PolarHBondContact O-OG 3.35Å; H156-S159 WeakPolarHBondContact O-CB 3.43Å; H156-S159 PolarHBondContact O-N 2.82Å; H156-S159 PolarHBondContact O-OG 2.9Å; H156-S159 VanDerWaalsContact O-OG 3.13Å; S159-L161 PolarHBondContact O-N 2.88Å; S159-R162 PolarHBondContact O-N 3.26Å
160Y84.4Confident79.6Confident0 Ų060.1 Ų60.10%031%0.309CS..G310 helixtrans-50.3-57.4-178.5179.6-111.5000112.7K147 I148 G152 F153 R162 N163 N166 D169 F170K147-Y160 HydrophobicContact CB-CD2 3.64Å; K147-Y160 HydrophobicContact CB-CE2 3.71Å; K147-Y160 HydrophobicContact CD-CD2 4.2Å; K147-Y160 HydrophobicContact CD-CE2 3.65Å; K147-Y160 HydrophobicContact CG-CE2 4.35Å; I148-Y160 HydrophobicContact CD1-CD1 3.88Å; I148-Y160 HydrophobicContact CD1-CE1 3.92Å; I148-Y160 HydrophobicContact CG1-CD1 3.42Å; I148-Y160 VanDerWaalsContact CG1-CD1 3.42Å; I148-Y160 HydrophobicContact CG1-CD2 4.32Å; I148-Y160 HydrophobicContact CG1-CE1 3.87Å; I148-Y160 HydrophobicContact CG1-CG 3.67Å; G152-Y160 VanDerWaalsContact O-CB 3.27Å; G152-Y160 WeakPolarHBondContact O-CB 3.39Å; G152-Y160 PolarHBondContact O-N 3.45Å; F153-Y160 PolarHBondContact O-N 2.83Å; Y160-R162 PolarHBondContact O-N 3.04Å; Y160-N163 PolarHBondContact O-N 3.47Å; Y160-N166 HydrophobicContact CD1-CB 4.49Å; Y160-N166 HydrophobicContact CD2-CB 3.68Å; Y160-N166 VanDerWaalsContact CD2-CG 3.46Å; Y160-N166 WeakPolarHBondContact CD2-ND2 3.31Å; Y160-N166 HydrophobicContact CE1-CB 4.37Å; Y160-N166 HydrophobicContact CE2-CB 3.53Å; Y160-N166 VanDerWaalsContact CE2-CG 3.43Å; Y160-N166 HydrophobicContact CG-CB 4.18Å; Y160-N166 WeakPolarHBondContact O-CB 3.32Å; Y160-N166 PolarHBondContact O-ND2 3.42Å; Y160-N166 PolarHBondContact OH-O 3.02Å; Y160-D169 VanDerWaalsContact OH-CB 3.31Å; Y160-D169 WeakPolarHBondContact OH-CB 3.29Å; Y160-F170 HydrophobicContact CE1-CB 4.04Å; Y160-F170 HydrophobicContact CE1-CD2 4.17Å; Y160-F170 HydrophobicContact CE1-CG 4.44Å
161L86Confident79.9Confident35 Ų3563.2 Ų63.218%0.18333%0.327CS..G310 helixtrans-75.61.7-175.5-68.6-176.8000115.4F153 I154 S159 I167 F170F153-L161 HydrophobicContact CD2-CD1 4.06Å; F153-L161 HydrophobicContact CD2-CG 4.24Å; F153-L161 HydrophobicContact CE1-CD1 4.11Å; F153-L161 HydrophobicContact CE2-CD1 3.51Å; F153-L161 HydrophobicContact CE2-CG 3.98Å; F153-L161 HydrophobicContact CZ-CD1 3.53Å; F153-L161 HydrophobicContact CZ-CG 4.49Å; F153-L161 PolarHBondContact O-N 3.48Å; I154-L161 HydrophobicContact CD1-CD1 4.12Å; I154-L161 HydrophobicContact CG1-CB 4.27Å; I154-L161 HydrophobicContact CG1-CD1 3.83Å; S159-L161 PolarHBondContact O-N 2.88Å; L161-I167 HydrophobicContact CD2-CG1 4.46Å; L161-I167 WeakPolarHBondContact O-CD1 3.19Å; L161-I167 WeakPolarHBondContact O-CG1 3.11Å; L161-F170 HydrophobicContact CD2-CB 3.78Å; L161-F170 HydrophobicContact CD2-CD1 3.94Å; L161-F170 HydrophobicContact CD2-CD2 4.41Å; L161-F170 HydrophobicContact CD2-CG 3.79Å
162R83.6Confident80.1Confident166 Ų16660.6 Ų60.663%0.62631%0.314SS*.G310 helixtrans-87-10.1172.3-76.6-173.6178.6-129.3-0.1113.8H156 S157 S159 Y160H156-R162 VanDerWaalsContact O-CD 3.3Å; H156-R162 WeakPolarHBondContact O-CD 3.12Å; H156-R162 PolarHBondContact O-NE 3.35Å; S157-R162 WeakPolarHBondContact O-CD 3.45Å; S159-R162 PolarHBondContact O-N 3.26Å; Y160-R162 PolarHBondContact O-N 3.04Å
163N80.6Confident80.4Confident73 Ų7360.9 Ų60.939%0.3931%0.314SS..SBendtrans-96.2121.3172.5178.20.7000109.8Y160 W165 N166 I167Y160-N163 PolarHBondContact O-N 3.47Å; N163-W165 PolarHBondContact O-N 3.18Å; N163-W165 VanDerWaalsContact O-N 3.1Å; N163-W165 PolarHBondContact OD1-N 3.49Å; N163-W165 VanDerWaalsContact OD1-N 3.15Å; N163-N166 HydrophobicContact CB-CB 4.22Å; N163-N166 WeakPolarHBondContact O-CA 3.49Å; N163-N166 WeakPolarHBondContact O-CB 3.47Å; N163-N166 PolarHBondContact O-N 3.13Å; N163-I167 PolarHBondContact O-N 2.68Å; N163-I167 VanDerWaalsContact O-N 3.09Å
164I81.5Confident80.7Confident136 Ų13660.3 Ų60.370%0.69732%0.316SS*.Hα-helixtrans-50.5-38.6-179.1-60.1170.3000112I167 L168I164-I167 WeakPolarHBondContact O-CB 3.5Å; I164-I167 PolarHBondContact O-N 2.97Å; I164-L168 PolarHBondContact O-N 3.48Å
165W78.6Confident80.8Confident58 Ų5856.8 Ų56.822%0.2230%0.299CS..Hα-helixtrans-64.8-44.5177.4-63.8107.2000112.5N163 I167 L168 D169 L202 V205 L215N163-W165 PolarHBondContact O-N 3.18Å; N163-W165 VanDerWaalsContact O-N 3.1Å; N163-W165 PolarHBondContact OD1-N 3.49Å; N163-W165 VanDerWaalsContact OD1-N 3.15Å; W165-I167 PolarHBondContact O-N 3.1Å; W165-L168 WeakPolarHBondContact O-CB 3.42Å; W165-L168 PolarHBondContact O-N 3.34Å; W165-L168 VanDerWaalsContact O-N 3.15Å; W165-D169 PolarHBondContact O-N 3.22Å; W165-L202 HydrophobicContact CH2-CD2 4.35Å; W165-L202 HydrophobicContact CH2-CG 4.27Å; W165-L202 HydrophobicContact CZ3-CD2 3.9Å; W165-L202 HydrophobicContact CZ3-CG 3.86Å; W165-V205 HydrophobicContact CH2-CB 3.9Å; W165-V205 HydrophobicContact CH2-CG1 3.89Å; W165-V205 HydrophobicContact CZ2-CG1 4.14Å; W165-V205 HydrophobicContact CZ3-CB 4.46Å; W165-L215 HydrophobicContact CH2-CD2 4.21Å; W165-L215 HydrophobicContact CZ2-CD2 4.39Å
166N82.1Confident81.4Confident14 Ų1450.1 Ų50.18%0.07526%0.264CS..Hα-helixtrans-66.9-23.8175.4-70.8-19.1000112.9Y160 N163 F170Y160-N166 HydrophobicContact CD1-CB 4.49Å; Y160-N166 HydrophobicContact CD2-CB 3.68Å; Y160-N166 VanDerWaalsContact CD2-CG 3.46Å; Y160-N166 WeakPolarHBondContact CD2-ND2 3.31Å; Y160-N166 HydrophobicContact CE1-CB 4.37Å; Y160-N166 HydrophobicContact CE2-CB 3.53Å; Y160-N166 VanDerWaalsContact CE2-CG 3.43Å; Y160-N166 HydrophobicContact CG-CB 4.18Å; Y160-N166 WeakPolarHBondContact O-CB 3.32Å; Y160-N166 PolarHBondContact O-ND2 3.42Å; Y160-N166 PolarHBondContact OH-O 3.02Å; N163-N166 HydrophobicContact CB-CB 4.22Å; N163-N166 WeakPolarHBondContact O-CA 3.49Å; N163-N166 WeakPolarHBondContact O-CB 3.47Å; N163-N166 PolarHBondContact O-N 3.13Å; N166-F170 WeakPolarHBondContact O-CB 3.45Å; N166-F170 PolarHBondContact O-N 3.25Å
167I85.6Confident82Confident74 Ų7448.3 Ų48.338%0.37926%0.255SS..Hα-helixtrans-67.7-44.8171.6-59.1174.1000109.6L161 N163 I164 W165 F170 V171L161-I167 HydrophobicContact CD2-CG1 4.46Å; L161-I167 WeakPolarHBondContact O-CD1 3.19Å; L161-I167 WeakPolarHBondContact O-CG1 3.11Å; N163-I167 PolarHBondContact O-N 2.68Å; N163-I167 VanDerWaalsContact O-N 3.09Å; I164-I167 WeakPolarHBondContact O-CB 3.5Å; I164-I167 PolarHBondContact O-N 2.97Å; W165-I167 PolarHBondContact O-N 3.1Å; I167-F170 PolarHBondContact O-N 2.79Å; I167-V171 HydrophobicContact CG2-CG2 4.42Å; I167-V171 WeakPolarHBondContact O-CG2 3.46Å; I167-V171 PolarHBondContact O-N 2.78Å
168L80.3Confident82.5Confident32 Ų3248 Ų4817%0.16825%0.247CC..Hα-helixtrans-59.6-48.3174-172.9160.8000110.9I164 W165 F170 V171 V172 L202I164-L168 PolarHBondContact O-N 3.48Å; W165-L168 WeakPolarHBondContact O-CB 3.42Å; W165-L168 PolarHBondContact O-N 3.34Å; W165-L168 VanDerWaalsContact O-N 3.15Å; L168-F170 VanDerWaalsContact C-N 3.27Å; L168-F170 PolarHBondContact O-N 3.04Å; L168-V171 PolarHBondContact O-N 3.21Å; L168-V172 HydrophobicContact CD2-CG2 3.93Å; L168-V172 WeakPolarHBondContact O-CG2 3.45Å; L168-V172 PolarHBondContact O-N 2.95Å; L168-L202 HydrophobicContact CD1-CB 4.31Å; L168-L202 HydrophobicContact CD1-CD2 3.71Å
169D80.1Confident82.9Confident9 Ų946.3 Ų46.35%0.04823%0.228CC..Hα-helixtrans-50.6-48.2173.7-6921.7000111.5K147 Y160 W165 V172 V173 K203K147-D169 IonicContact NZ-OD2 3.57Å; K147-D169 PolarHBondContact NZ-OD2 2.93Å; Y160-D169 VanDerWaalsContact OH-CB 3.31Å; Y160-D169 WeakPolarHBondContact OH-CB 3.29Å; W165-D169 PolarHBondContact O-N 3.22Å; D169-V172 PolarHBondContact O-N 2.91Å; D169-V173 WeakPolarHBondContact O-CG2 3.09Å; D169-V173 PolarHBondContact O-N 3.3Å; D169-V173 VanDerWaalsContact O-N 3.09Å; D169-K203 WeakPolarHBondContact OD1-CE 3.23Å; D169-K203 IonicContact OD1-NZ 2.74Å; D169-K203 PolarHBondContact OD1-NZ 3.41Å; D169-K203 WeakPolarHBondContact OD2-CE 3.4Å; D169-K203 IonicContact OD2-NZ 3.14Å; D169-K203 PolarHBondContact OD2-NZ 3.45Å
170F86.5Confident82.8Confident64 Ų6450.6 Ų50.628%0.28125%0.249SC..Hα-helixtrans-65.7-44.9-179.7-171.8-110.4000112.5F153 Y160 L161 N166 I167 L168 V172 V173 V174F153-F170 AromaticContact CE2-CE2 3.99Å; F153-F170 HydrophobicContact CE2-CE2 3.99Å; F153-F170 HydrophobicContact CE2-CZ 4.17Å; F153-F170 HydrophobicContact CZ-CE2 4.24Å; F153-F170 AromaticContact CZ-CZ 3.97Å; F153-F170 HydrophobicContact CZ-CZ 3.97Å; Y160-F170 HydrophobicContact CE1-CB 4.04Å; Y160-F170 HydrophobicContact CE1-CD2 4.17Å; Y160-F170 HydrophobicContact CE1-CG 4.44Å; L161-F170 HydrophobicContact CD2-CB 3.78Å; L161-F170 HydrophobicContact CD2-CD1 3.94Å; L161-F170 HydrophobicContact CD2-CD2 4.41Å; L161-F170 HydrophobicContact CD2-CG 3.79Å; N166-F170 WeakPolarHBondContact O-CB 3.45Å; N166-F170 PolarHBondContact O-N 3.25Å; I167-F170 PolarHBondContact O-N 2.79Å; L168-F170 VanDerWaalsContact C-N 3.27Å; L168-F170 PolarHBondContact O-N 3.04Å; F170-V172 VanDerWaalsContact C-N 3.32Å; F170-V172 PolarHBondContact O-N 3.03Å; F170-V173 PolarHBondContact O-N 3.3Å; F170-V174 HydrophobicContact CD1-CG2 4.16Å; F170-V174 HydrophobicContact CD2-CG2 4.35Å; F170-V174 HydrophobicContact CE1-CG2 3.85Å; F170-V174 HydrophobicContact CE2-CG2 4.05Å; F170-V174 HydrophobicContact CG-CG2 4.4Å; F170-V174 HydrophobicContact CZ-CG2 3.78Å; F170-V174 WeakPolarHBondContact O-CB 3.19Å; F170-V174 VanDerWaalsContact O-CG2 3.31Å; F170-V174 WeakPolarHBondContact O-CG2 3.44Å; F170-V174 PolarHBondContact O-N 3.28Å
171V85.4Confident82.5Confident67 Ų6757.6 Ų57.641%0.40628%0.279SS..Hα-helixtrans-61.1-40.8177169.50000111.1I167 L168 V174 T175 V196I167-V171 HydrophobicContact CG2-CG2 4.42Å; I167-V171 WeakPolarHBondContact O-CG2 3.46Å; I167-V171 PolarHBondContact O-N 2.78Å; L168-V171 PolarHBondContact O-N 3.21Å; V171-V174 PolarHBondContact O-N 2.62Å; V171-T175 HydrophobicContact CG1-CG2 4.39Å; V171-T175 WeakPolarHBondContact O-CB 3.06Å; V171-T175 WeakPolarHBondContact O-CG2 3.06Å; V171-T175 PolarHBondContact O-N 3.25Å; V171-T175 PolarHBondContact O-OG1 2.85Å; V171-V196 HydrophobicContact CG1-CG1 4.13Å
172V82.2Confident81.8Confident6 Ų658.7 Ų58.74%0.03628%0.284CS..Hα-helixtrans-66.6-38.7177.3169.70000112.3L168 D169 F170 T175 G176 R200L168-V172 HydrophobicContact CD2-CG2 3.93Å; L168-V172 WeakPolarHBondContact O-CG2 3.45Å; L168-V172 PolarHBondContact O-N 2.95Å; D169-V172 PolarHBondContact O-N 2.91Å; F170-V172 VanDerWaalsContact C-N 3.32Å; F170-V172 PolarHBondContact O-N 3.03Å; V172-T175 PolarHBondContact O-OG1 2.81Å; V172-G176 PolarHBondContact O-N 3.07Å; V172-R200 HydrophobicContact CG1-CG 3.65Å
173V86.9Confident81Confident14 Ų1454.5 Ų54.59%0.08528%0.277CS..Hα-helixtrans-70.2-44.8175.7171.50000111.2L137 F140 D169 F170 G176 F177L137-V173 HydrophobicContact CD1-CG1 4.39Å; F140-V173 HydrophobicContact CB-CG2 3.77Å; D169-V173 WeakPolarHBondContact O-CG2 3.09Å; D169-V173 PolarHBondContact O-N 3.3Å; D169-V173 VanDerWaalsContact O-N 3.09Å; F170-V173 PolarHBondContact O-N 3.3Å; V173-G176 PolarHBondContact O-N 3.3Å; V173-F177 HydrophobicContact CG1-CD2 3.92Å; V173-F177 HydrophobicContact CG1-CE2 3.82Å; V173-F177 WeakPolarHBondContact O-CD2 3.11Å; V173-F177 PolarHBondContact O-N 3.48Å
174V87.3Confident80.1Confident57 Ų5756.3 Ų56.335%0.34530%0.296SS..Hα-helixtrans-64.2-44.5178.9170.20000111.5F170 V171 G176 F177 L178F170-V174 HydrophobicContact CD1-CG2 4.16Å; F170-V174 HydrophobicContact CD2-CG2 4.35Å; F170-V174 HydrophobicContact CE1-CG2 3.85Å; F170-V174 HydrophobicContact CE2-CG2 4.05Å; F170-V174 HydrophobicContact CG-CG2 4.4Å; F170-V174 HydrophobicContact CZ-CG2 3.78Å; F170-V174 WeakPolarHBondContact O-CB 3.19Å; F170-V174 VanDerWaalsContact O-CG2 3.31Å; F170-V174 WeakPolarHBondContact O-CG2 3.44Å; F170-V174 PolarHBondContact O-N 3.28Å; V171-V174 PolarHBondContact O-N 2.62Å; V174-G176 VanDerWaalsContact C-N 3.34Å; V174-F177 PolarHBondContact O-N 2.77Å; V174-L178 HydrophobicContact CG1-CD1 4.09Å; V174-L178 WeakPolarHBondContact O-CG 3Å; V174-L178 PolarHBondContact O-N 2.92Å
175T84.4Confident79Confident16 Ų1653.5 Ų53.510%0.09830%0.3CS..Hα-helixtrans-67.1-34.3175.750.60000112.4V171 V172 L178 T179 V196V171-T175 HydrophobicContact CG1-CG2 4.39Å; V171-T175 WeakPolarHBondContact O-CB 3.06Å; V171-T175 WeakPolarHBondContact O-CG2 3.06Å; V171-T175 PolarHBondContact O-N 3.25Å; V171-T175 PolarHBondContact O-OG1 2.85Å; V172-T175 PolarHBondContact O-OG1 2.81Å; T175-L178 PolarHBondContact O-N 3.07Å; T175-T179 PolarHBondContact O-N 2.94Å; T175-T179 PolarHBondContact O-OG1 3.34Å; T175-V196 HydrophobicContact CG2-CB 4.37Å; T175-V196 HydrophobicContact CG2-CG1 4.12Å; T175-V196 HydrophobicContact CG2-CG2 4.27Å
176G82.6Confident78Confident0 Ų053.1 Ų53.10%031%0.306CS..Hα-helixtrans-55.1-53.9168.400000112.3V172 V173 V174 L178 T179 M180V172-G176 PolarHBondContact O-N 3.07Å; V173-G176 PolarHBondContact O-N 3.3Å; V174-G176 VanDerWaalsContact C-N 3.34Å; G176-L178 PolarHBondContact O-N 3.04Å; G176-T179 PolarHBondContact O-N 3.3Å; G176-T179 PolarHBondContact O-OG1 2.89Å; G176-M180 PolarHBondContact O-N 2.75Å
177F83.9Confident77Confident70 Ų7056.8 Ų56.831%0.30735%0.347SS..Hα-helixtrans-60.5-41.9175.1-81.9-64.9000113L137 T141 V173 V174 T179 M180 F181L137-F177 HydrophobicContact CD1-CD2 4.35Å; L137-F177 HydrophobicContact CD1-CE2 4.35Å; L137-F177 HydrophobicContact CD2-CD1 4.31Å; L137-F177 HydrophobicContact CD2-CE1 4.42Å; L137-F177 HydrophobicContact CD2-CG 4.47Å; T141-F177 HydrophobicContact CG2-CE2 3.94Å; T141-F177 HydrophobicContact CG2-CZ 3.96Å; T141-F177 VanDerWaalsContact OG1-CE2 3.23Å; T141-F177 WeakPolarHBondContact OG1-CE2 3.49Å; T141-F177 WeakPolarHBondContact OG1-CZ 3.03Å; V173-F177 HydrophobicContact CG1-CD2 3.92Å; V173-F177 HydrophobicContact CG1-CE2 3.82Å; V173-F177 WeakPolarHBondContact O-CD2 3.11Å; V173-F177 PolarHBondContact O-N 3.48Å; V174-F177 PolarHBondContact O-N 2.77Å; F177-T179 VanDerWaalsContact C-N 3.32Å; F177-T179 PolarHBondContact O-N 2.76Å; F177-M180 WeakPolarHBondContact O-CB 3.34Å; F177-M180 PolarHBondContact O-N 2.94Å; F177-M180 VanDerWaalsContact O-N 3.07Å; F177-F181 HydrophobicContact CB-CD2 4.29Å; F177-F181 HydrophobicContact CB-CE2 4.05Å; F177-F181 AromaticContact CD1-CE2 3.97Å; F177-F181 HydrophobicContact CD1-CE2 3.97Å; F177-F181 HydrophobicContact CD1-CZ 4.41Å; F177-F181 HydrophobicContact CG-CE2 4.4Å; F177-F181 WeakPolarHBondContact O-CD2 2.96Å; F177-F181 PolarHBondContact O-N 3.37Å
178L81.5Confident75.7Confident71 Ų7156.9 Ų56.937%0.37235%0.351SS..Hα-helixtrans-59.4-40.7175.7-72169.6000111.9V174 T175 G176 M180 F181 M182V174-L178 HydrophobicContact CG1-CD1 4.09Å; V174-L178 WeakPolarHBondContact O-CG 3Å; V174-L178 PolarHBondContact O-N 2.92Å; T175-L178 PolarHBondContact O-N 3.07Å; G176-L178 PolarHBondContact O-N 3.04Å; L178-M180 VanDerWaalsContact C-N 3.33Å; L178-M180 PolarHBondContact O-N 3.22Å; L178-F181 PolarHBondContact O-N 3Å; L178-M182 VanDerWaalsContact O-CB 3.29Å; L178-M182 WeakPolarHBondContact O-CB 3.44Å; L178-M182 WeakPolarHBondContact O-CG 3.29Å; L178-M182 PolarHBondContact O-N 3.26Å
179T77.3Confident74.7Confident7 Ų761.5 Ų61.54%0.04338%0.376CS..Hα-helixtrans-65.3-34.5173.453.20000113.3T175 G176 F177 T183 L193 R194 R197T175-T179 PolarHBondContact O-N 2.94Å; T175-T179 PolarHBondContact O-OG1 3.34Å; G176-T179 PolarHBondContact O-N 3.3Å; G176-T179 PolarHBondContact O-OG1 2.89Å; F177-T179 VanDerWaalsContact C-N 3.32Å; F177-T179 PolarHBondContact O-N 2.76Å; T179-T183 WeakPolarHBondContact O-CG2 3.12Å; T179-T183 PolarHBondContact O-N 2.91Å; T179-T183 PolarHBondContact O-OG1 2.88Å; T179-L193 HydrophobicContact CG2-CB 3.49Å; T179-L193 VanDerWaalsContact CG2-CB 3.49Å; T179-R194 HydrophobicContact CG2-CG 4.4Å; T179-R197 PolarHBondContact OG1-NH2 3.47Å
180M77.8Confident74Confident93 Ų9363.5 Ų63.546%0.45839%0.386SS..Hα-helixtrans-71.3-32.7177.3-168.7-176.7-176.900112.6G176 F177 L178 T183G176-M180 PolarHBondContact O-N 2.75Å; F177-M180 WeakPolarHBondContact O-CB 3.34Å; F177-M180 PolarHBondContact O-N 2.94Å; F177-M180 VanDerWaalsContact O-N 3.07Å; L178-M180 VanDerWaalsContact C-N 3.33Å; L178-M180 PolarHBondContact O-N 3.22Å; M180-T183 PolarHBondContact O-OG1 2.91Å; M180-T183 VanDerWaalsContact O-OG1 3.08Å
181F78.2Confident73.1Confident147 Ų14766.1 Ų66.165%0.64539%0.394SS*.Hα-helixtrans-85.4-40.4177.1-66.6-58.7000113.2F177 L178 T183 S184F177-F181 HydrophobicContact CB-CD2 4.29Å; F177-F181 HydrophobicContact CB-CE2 4.05Å; F177-F181 AromaticContact CD1-CE2 3.97Å; F177-F181 HydrophobicContact CD1-CE2 3.97Å; F177-F181 HydrophobicContact CD1-CZ 4.41Å; F177-F181 HydrophobicContact CG-CE2 4.4Å; F177-F181 WeakPolarHBondContact O-CD2 2.96Å; F177-F181 PolarHBondContact O-N 3.37Å; L178-F181 PolarHBondContact O-N 3Å; F181-T183 VanDerWaalsContact C-N 3.31Å; F181-T183 PolarHBondContact O-N 2.79Å; F181-S184 PolarHBondContact O-N 3.34Å
182M72.6Confident72.2Confident58 Ų5867.6 Ų67.629%0.28640%0.404SS..Hα-helixtrans-69.3-26-176.9-75.2-171.4165.500114L178 S184 G185 S186 V188 L190 L193L178-M182 VanDerWaalsContact O-CB 3.29Å; L178-M182 WeakPolarHBondContact O-CB 3.44Å; L178-M182 WeakPolarHBondContact O-CG 3.29Å; L178-M182 PolarHBondContact O-N 3.26Å; M182-S184 PolarHBondContact O-N 2.88Å; M182-G185 PolarHBondContact O-N 3.06Å; M182-G185 VanDerWaalsContact O-N 3.17Å; M182-S186 PolarHBondContact O-N 2.74Å; M182-V188 HydrophobicContact SD-CB 4.33Å; M182-V188 HydrophobicContact SD-CG1 4.46Å; M182-L190 HydrophobicContact CB-CD2 4.22Å; M182-L193 HydrophobicContact SD-CD1 3.57Å; M182-L193 VanDerWaalsContact SD-CD1 3.57Å
183T65.1Low71.6Confident79 Ų7969 Ų6949%0.48541%0.411SS..THydrogen-bonded Turntrans-60.1-14.5173.735.70000113.7T179 M180 F181 L190T179-T183 WeakPolarHBondContact O-CG2 3.12Å; T179-T183 PolarHBondContact O-N 2.91Å; T179-T183 PolarHBondContact O-OG1 2.88Å; M180-T183 PolarHBondContact O-OG1 2.91Å; M180-T183 VanDerWaalsContact O-OG1 3.08Å; F181-T183 VanDerWaalsContact C-N 3.31Å; F181-T183 PolarHBondContact O-N 2.79Å; T183-L190 HydrophobicContact CG2-CD1 3.88Å; T183-L190 HydrophobicContact CG2-CD2 4.14Å
184S62.5Low71Confident111 Ų11171.4 Ų71.478%0.77642%0.418SS*.THydrogen-bonded Turntrans-93.90177.3-60.30000115.7F181 M182F181-S184 PolarHBondContact O-N 3.34Å; M182-S184 PolarHBondContact O-N 2.88Å
185G59Low70.3Confident76 Ų7669.5 Ų69.578%0.78441%0.408SS*.THydrogen-bonded Turntrans173.616179.800000121.7M182M182-G185 PolarHBondContact O-N 3.06Å; M182-G185 VanDerWaalsContact O-N 3.17Å
186S57Low69.9Low51 Ų5170.3 Ų70.336%0.35741%0.413SS..  trans-131134.5176.565.30000114.3M182 V188M182-S186 PolarHBondContact O-N 2.74Å; S186-V188 PolarHBondContact O-N 3.35Å
187G60.1Low69.6Low90 Ų9071.2 Ų71.293%0.92842%0.417SS*.  trans-74.532176.600000114.7
188V59.5Low69.2Low77 Ų7768.1 Ų68.147%0.46740%0.404SS..SBendtrans-83.2140.1176.2-179.90000108.7M182 S186 L190M182-V188 HydrophobicContact SD-CB 4.33Å; M182-V188 HydrophobicContact SD-CG1 4.46Å; S186-V188 PolarHBondContact O-N 3.35Å; V188-L190 PolarHBondContact O-N 2.71Å
189N59.7Low69.1Low128 Ų12868 Ų6868%0.68440%0.403SS*.  trans-62.493.5-177.5-77.8-18.1000112.4R191 T192N189-R191 PolarHBondContact O-N 3.43Å; N189-R191 VanDerWaalsContact O-N 3.09Å; N189-T192 PolarHBondContact O-N 3.32Å; N189-T192 VanDerWaalsContact O-N 3.12Å
190L65.6Low69Low52 Ų5267.9 Ų67.927%0.27240%0.402SS..Hα-helixtrans-54.7-30.2-179.6-69.5169.3000112.8M182 T183 V188 T192 L193 R194M182-L190 HydrophobicContact CB-CD2 4.22Å; T183-L190 HydrophobicContact CG2-CD1 3.88Å; T183-L190 HydrophobicContact CG2-CD2 4.14Å; V188-L190 PolarHBondContact O-N 2.71Å; L190-T192 VanDerWaalsContact C-N 3.31Å; L190-T192 PolarHBondContact O-N 2.9Å; L190-L193 PolarHBondContact O-N 3.14Å; L190-R194 WeakPolarHBondContact O-CB 3.47Å; L190-R194 VanDerWaalsContact O-CG 3.28Å; L190-R194 WeakPolarHBondContact O-CG 3.43Å; L190-R194 PolarHBondContact O-N 2.91Å
191R66.6Low68.9Low118 Ų11863.5 Ų63.545%0.44538%0.38SS..Hα-helixtrans-50.2-47.2175.2-72-173.2175.7171.9-1.7112.1N189 L193 R194 A195 E645N189-R191 PolarHBondContact O-N 3.43Å; N189-R191 VanDerWaalsContact O-N 3.09Å; R191-L193 PolarHBondContact O-N 3.27Å; R191-R194 PolarHBondContact O-N 3.5Å; R191-A195 PolarHBondContact O-N 3.25Å; R191-E645 IonicContact CZ-OE1 2.82Å; R191-E645 IonicContact NH1-OE1 3.74Å; R191-E645 PolarHBondContact NH1-OE1 3.08Å; R191-E645 IonicContact NH2-OE1 2.76Å; R191-E645 PolarHBondContact NH2-OE1 3.28Å
192T67.2Low68.8Low98 Ų9858.7 Ų58.760%0.60136%0.361SS*.Hα-helixtrans-66.7-37.6-176.8-44.60000112.7N189 L190N189-T192 PolarHBondContact O-N 3.32Å; N189-T192 VanDerWaalsContact O-N 3.12Å; L190-T192 VanDerWaalsContact C-N 3.31Å; L190-T192 PolarHBondContact O-N 2.9Å
193L69.9Low68.8Low36 Ų3656.6 Ų56.619%0.18835%0.35CS..Hα-helixtrans-76.2-30.6175.9-66176000112.3T179 M182 L190 R191T179-L193 HydrophobicContact CG2-CB 3.49Å; T179-L193 VanDerWaalsContact CG2-CB 3.49Å; M182-L193 HydrophobicContact SD-CD1 3.57Å; M182-L193 VanDerWaalsContact SD-CD1 3.57Å; L190-L193 PolarHBondContact O-N 3.14Å; R191-L193 PolarHBondContact O-N 3.27Å
194R72.3Confident69.3Low65 Ų6554 Ų5425%0.24533%0.334CS..Hα-helixtrans-66.7-39.3170.7-70.5177.5172.6-136.2-3.1111.5E130 T179 L190 R191 V196 R197E130-R194 IonicContact OE1-CZ 3.92Å; E130-R194 VanDerWaalsContact OE1-CZ 3.3Å; E130-R194 IonicContact OE1-NH1 3.6Å; E130-R194 PolarHBondContact OE1-NH1 2.7Å; E130-R194 IonicContact OE1-NH2 2.88Å; E130-R194 PolarHBondContact OE1-NH2 3.25Å; T179-R194 HydrophobicContact CG2-CG 4.4Å; L190-R194 WeakPolarHBondContact O-CB 3.47Å; L190-R194 VanDerWaalsContact O-CG 3.28Å; L190-R194 WeakPolarHBondContact O-CG 3.43Å; L190-R194 PolarHBondContact O-N 2.91Å; R191-R194 PolarHBondContact O-N 3.5Å; R194-V196 PolarHBondContact O-N 2.96Å; R194-V196 VanDerWaalsContact O-N 3.16Å; R194-R197 WeakPolarHBondContact O-CB 3.41Å; R194-R197 WeakPolarHBondContact O-CD 3.47Å; R194-R197 WeakPolarHBondContact O-CG 3.19Å; R194-R197 PolarHBondContact O-N 3.11Å
195A73.1Confident69.9Low16 Ų1649 Ų4913%0.13230%0.298CS..Hα-helixtrans-57.4-31.5179.100000113.8R191 R197 V198 L637R191-A195 PolarHBondContact O-N 3.25Å; A195-R197 PolarHBondContact O-N 3.44Å; A195-V198 WeakPolarHBondContact O-CG1 3.23Å; A195-V198 WeakPolarHBondContact O-CG2 3.45Å; A195-V198 PolarHBondContact O-N 3.02Å; A195-L637 HydrophobicContact CB-CD1 4.13Å
196V76.2Confident70.4Confident34 Ų3447.2 Ų47.221%0.20627%0.274CS..G310 helixtrans-58.4-24.5177.4-176.50000112.7V171 T175 R194 V198 L199V171-V196 HydrophobicContact CG1-CG1 4.13Å; T175-V196 HydrophobicContact CG2-CB 4.37Å; T175-V196 HydrophobicContact CG2-CG1 4.12Å; T175-V196 HydrophobicContact CG2-CG2 4.27Å; R194-V196 PolarHBondContact O-N 2.96Å; R194-V196 VanDerWaalsContact O-N 3.16Å; V196-V198 PolarHBondContact O-N 2.91Å; V196-L199 HydrophobicContact CG1-CD1 4.5Å; V196-L199 WeakPolarHBondContact O-CB 3.48Å; V196-L199 PolarHBondContact O-N 3.04Å
197R76Confident70.8Confident18 Ų1847 Ų477%0.06828%0.279CS..G310 helixtrans-66-24.2179.3-54163.7-176-162.4-17.8112.6E133 T179 R194 A195 L199 R200E133-R197 VanDerWaalsContact CD-NH1 3.32Å; E133-R197 VanDerWaalsContact OE1-CD 3.26Å; E133-R197 WeakPolarHBondContact OE1-CD 3.3Å; E133-R197 IonicContact OE1-CZ 4Å; E133-R197 IonicContact OE1-NE 2.69Å; E133-R197 PolarHBondContact OE1-NE 2.84Å; E133-R197 IonicContact OE1-NH1 3.36Å; E133-R197 PolarHBondContact OE1-NH1 3.46Å; E133-R197 IonicContact OE1-NH2 2.69Å; E133-R197 IonicContact OE2-CZ 2.69Å; E133-R197 IonicContact OE2-NE 2.71Å; E133-R197 IonicContact OE2-NH1 3.09Å; E133-R197 PolarHBondContact OE2-NH1 2.84Å; E133-R197 IonicContact OE2-NH2 3.44Å; E133-R197 PolarHBondContact OE2-NH2 2.76Å; T179-R197 PolarHBondContact OG1-NH2 3.47Å; R194-R197 WeakPolarHBondContact O-CB 3.41Å; R194-R197 WeakPolarHBondContact O-CD 3.47Å; R194-R197 WeakPolarHBondContact O-CG 3.19Å; R194-R197 PolarHBondContact O-N 3.11Å; A195-R197 PolarHBondContact O-N 3.44Å; R197-L199 PolarHBondContact O-N 3.36Å; R197-L199 VanDerWaalsContact O-N 3.14Å; R197-R200 VanDerWaalsContact O-CB 3.29Å; R197-R200 WeakPolarHBondContact O-CB 3.49Å; R197-R200 VanDerWaalsContact O-CG 3.24Å; R197-R200 WeakPolarHBondContact O-CG 3.4Å; R197-R200 PolarHBondContact O-N 3.38Å
198V76.5Confident71.2Confident6 Ų645 Ų454%0.03625%0.249CC..G310 helixtrans-69.4-6.2177.9-44.90000112.9A195 V196 P201 I633 L636 L637 Q640A195-V198 WeakPolarHBondContact O-CG1 3.23Å; A195-V198 WeakPolarHBondContact O-CG2 3.45Å; A195-V198 PolarHBondContact O-N 3.02Å; V196-V198 PolarHBondContact O-N 2.91Å; V198-P201 WeakPolarHBondContact O-CD 3.25Å; V198-I633 HydrophobicContact CG2-CG2 4.42Å; V198-L636 HydrophobicContact CB-CB 3.99Å; V198-L636 HydrophobicContact CG1-CB 3.79Å; V198-L637 HydrophobicContact CG2-CB 4.09Å; V198-L637 HydrophobicContact CG2-CD1 4.41Å; V198-Q640 HydrophobicContact CG1-CG 4.21Å
199L79.4Confident71.3Confident67 Ų6745.6 Ų45.635%0.35126%0.255SS..G310 helixtrans-84.4-12171.4-57.2179.7000113.5V196 R197 P201 L202 I633V196-L199 HydrophobicContact CG1-CD1 4.5Å; V196-L199 WeakPolarHBondContact O-CB 3.48Å; V196-L199 PolarHBondContact O-N 3.04Å; R197-L199 PolarHBondContact O-N 3.36Å; R197-L199 VanDerWaalsContact O-N 3.14Å; L199-P201 VanDerWaalsContact C-N 3.33Å; L199-L202 VanDerWaalsContact O-CB 3.3Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.24Å; L199-I633 HydrophobicContact CD2-CG2 4.49Å
200R74.5Confident71.3Confident5 Ų542.8 Ų42.82%0.01925%0.245CC..G310 helixtrans-49.8-39.7173.7-73172.8-174.7161.411.9114.2I104 N107 E133 V172 R197 L202 K203I104-R200 WeakPolarHBondContact CG2-O 3.49Å; N107-R200 VanDerWaalsContact ND2-CD 3.29Å; N107-R200 WeakPolarHBondContact ND2-CD 3.49Å; N107-R200 WeakPolarHBondContact OD1-CD 3.49Å; N107-R200 PolarHBondContact OD1-NH1 3.17Å; E133-R200 IonicContact OE1-CZ 3.81Å; E133-R200 IonicContact OE1-NH1 3.97Å; E133-R200 PolarHBondContact OE1-NH1 2.92Å; E133-R200 IonicContact OE1-NH2 3.2Å; E133-R200 PolarHBondContact OE1-NH2 2.93Å; V172-R200 HydrophobicContact CG1-CG 3.65Å; R197-R200 VanDerWaalsContact O-CB 3.29Å; R197-R200 WeakPolarHBondContact O-CB 3.49Å; R197-R200 VanDerWaalsContact O-CG 3.24Å; R197-R200 WeakPolarHBondContact O-CG 3.4Å; R197-R200 PolarHBondContact O-N 3.38Å; R200-L202 PolarHBondContact O-N 3.09Å; R200-K203 PolarHBondContact O-N 3.27Å
201P75.9Confident71.4Confident1 Ų140.5 Ų40.51%0.00623%0.233CC..G310 helixtrans-61.7-25.6176.8-1627.8000114V198 L199 K203 L204 L632 I633V198-P201 WeakPolarHBondContact O-CD 3.25Å; L199-P201 VanDerWaalsContact C-N 3.33Å; P201-K203 PolarHBondContact O-N 3.42Å; P201-K203 VanDerWaalsContact O-N 3.14Å; P201-L204 VanDerWaalsContact O-CB 3.26Å; P201-L204 WeakPolarHBondContact O-CB 3.05Å; P201-L204 VanDerWaalsContact O-CG 3.26Å; P201-L204 WeakPolarHBondContact O-CG 3.48Å; P201-L204 PolarHBondContact O-N 2.91Å; P201-L632 HydrophobicContact CB-CD2 3.76Å; P201-L632 HydrophobicContact CG-CD2 3.4Å; P201-L632 VanDerWaalsContact CG-CD2 3.4Å; P201-I633 HydrophobicContact CB-CG1 4.2Å; P201-I633 HydrophobicContact CG-CG1 4.13Å
202L76.7Confident71.6Confident47 Ų4738.4 Ų38.425%0.24623%0.228CC..G310 helixtrans-64.4-20.9-177.7-154.574.9000112.1W165 L168 L199 R200 L204 V205 L629 I633W165-L202 HydrophobicContact CH2-CD2 4.35Å; W165-L202 HydrophobicContact CH2-CG 4.27Å; W165-L202 HydrophobicContact CZ3-CD2 3.9Å; W165-L202 HydrophobicContact CZ3-CG 3.86Å; L168-L202 HydrophobicContact CD1-CB 4.31Å; L168-L202 HydrophobicContact CD1-CD2 3.71Å; L199-L202 VanDerWaalsContact O-CB 3.3Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.24Å; R200-L202 PolarHBondContact O-N 3.09Å; L202-L204 PolarHBondContact O-N 3.29Å; L202-V205 HydrophobicContact CD1-CG2 4.33Å; L202-V205 WeakPolarHBondContact O-CB 3.21Å; L202-V205 PolarHBondContact O-N 3.48Å; L202-L629 HydrophobicContact CD1-CD2 3.92Å; L202-I633 HydrophobicContact CB-CD1 4.21Å; L202-I633 HydrophobicContact CD1-CD1 3.74Å
203K72.1Confident71.5Confident14 Ų1438.3 Ų38.36%0.06123%0.227CC..Hα-helixtrans-57.5-24.6168.5-74.4-165.1174.2-137.70113.6I104 E143 D169 R200 P201 V205 S206 G207I104-K203 HydrophobicContact CD1-CB 3.64Å; I104-K203 HydrophobicContact CD1-CD 3.34Å; I104-K203 HydrophobicContact CD1-CG 4.15Å; I104-K203 HydrophobicContact CG1-CB 4.43Å; I104-K203 HydrophobicContact CG1-CD 3.9Å; E143-K203 IonicContact OE1-NZ 3.08Å; E143-K203 PolarHBondContact OE1-NZ 3.45Å; E143-K203 IonicContact OE2-NZ 2.72Å; E143-K203 PolarHBondContact OE2-NZ 2.95Å; D169-K203 WeakPolarHBondContact OD1-CE 3.23Å; D169-K203 IonicContact OD1-NZ 2.74Å; D169-K203 PolarHBondContact OD1-NZ 3.41Å; D169-K203 WeakPolarHBondContact OD2-CE 3.4Å; D169-K203 IonicContact OD2-NZ 3.14Å; D169-K203 PolarHBondContact OD2-NZ 3.45Å; R200-K203 PolarHBondContact O-N 3.27Å; P201-K203 PolarHBondContact O-N 3.42Å; P201-K203 VanDerWaalsContact O-N 3.14Å; K203-V205 PolarHBondContact O-N 3.43Å; K203-S206 PolarHBondContact O-N 3.49Å; K203-S206 VanDerWaalsContact O-N 3.15Å; K203-S206 PolarHBondContact O-OG 2.98Å; K203-G207 PolarHBondContact O-N 3.02Å
204L75.3Confident71.3Confident25 Ų2538.2 Ų38.213%0.13123%0.228CC..Hα-helixtrans-62.1-30174.4-62.1169.6000111.4L101 I105 P201 L202 V208 F625 L629L101-L204 HydrophobicContact CD1-CD2 3.74Å; L101-L204 HydrophobicContact CG-CD2 4.23Å; I105-L204 HydrophobicContact CD1-CD2 4.32Å; I105-L204 HydrophobicContact CG1-CD2 3.96Å; P201-L204 VanDerWaalsContact O-CB 3.26Å; P201-L204 WeakPolarHBondContact O-CB 3.05Å; P201-L204 VanDerWaalsContact O-CG 3.26Å; P201-L204 WeakPolarHBondContact O-CG 3.48Å; P201-L204 PolarHBondContact O-N 2.91Å; L202-L204 PolarHBondContact O-N 3.29Å; L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 3.42Å; L204-F625 HydrophobicContact CD1-CZ 4.35Å; L204-L629 HydrophobicContact CB-CD1 3.82Å; L204-L629 HydrophobicContact CD1-CD1 4.21Å
205V74.4Confident71.1Confident6 Ų637.1 Ų37.14%0.03623%0.227CC..Hα-helixtrans-69-42.3173.9-1760000111W165 L202 K203 V208 L211 Q212 L215 L629W165-V205 HydrophobicContact CH2-CB 3.9Å; W165-V205 HydrophobicContact CH2-CG1 3.89Å; W165-V205 HydrophobicContact CZ2-CG1 4.14Å; W165-V205 HydrophobicContact CZ3-CB 4.46Å; L202-V205 HydrophobicContact CD1-CG2 4.33Å; L202-V205 WeakPolarHBondContact O-CB 3.21Å; L202-V205 PolarHBondContact O-N 3.48Å; K203-V205 PolarHBondContact O-N 3.43Å; V205-V208 PolarHBondContact O-N 2.96Å; V205-L211 HydrophobicContact CB-CB 4.44Å; V205-L211 HydrophobicContact CG1-CB 3.96Å; V205-Q212 WeakPolarHBondContact O-CG 3.49Å; V205-L215 HydrophobicContact CG1-CB 4.43Å; V205-L215 HydrophobicContact CG1-CD2 3.88Å; V205-L629 HydrophobicContact CG2-CD1 3.82Å; V205-L629 HydrophobicContact CG2-CD2 4.4Å
206S70.8Confident71Confident38 Ų3839.6 Ų39.627%0.26624%0.24SC..Hα-helixtrans-69.4-33.6178.371.60000112.2K203 V208 Q212K203-S206 PolarHBondContact O-N 3.49Å; K203-S206 VanDerWaalsContact O-N 3.15Å; K203-S206 PolarHBondContact O-OG 2.98Å; S206-V208 VanDerWaalsContact C-N 3.33Å; S206-V208 PolarHBondContact O-N 3.01Å; S206-Q212 PolarHBondContact O-NE2 3.02Å
207G65.8Low70.6Confident46 Ų4640.4 Ų40.447%0.47425%0.248SC..Hα-helixtrans-69.5-21.1174.400000115.4K203K203-G207 PolarHBondContact O-N 3.02Å
208V67.6Low70.4Confident49 Ų4940.3 Ų40.330%0.29725%0.248SC..  trans-120.7100.2-173.4-177.50000111.1L204 V205 S206 S210 L211 Q212L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 3.42Å; V205-V208 PolarHBondContact O-N 2.96Å; S206-V208 VanDerWaalsContact C-N 3.33Å; S206-V208 PolarHBondContact O-N 3.01Å; V208-S210 WeakPolarHBondContact CG1-OG 3.32Å; V208-S210 PolarHBondContact O-N 3.37Å; V208-L211 HydrophobicContact CB-CB 4.39Å; V208-L211 HydrophobicContact CB-CD1 3.88Å; V208-L211 HydrophobicContact CB-CG 4.01Å; V208-L211 HydrophobicContact CG1-CD1 4.12Å; V208-L211 HydrophobicContact CG1-CG 3.85Å; V208-L211 HydrophobicContact CG2-CD1 4.38Å; V208-L211 WeakPolarHBondContact O-CB 3.1Å; V208-L211 PolarHBondContact O-N 3.4Å; V208-Q212 PolarHBondContact O-N 3.13Å
209P61.8Low70.5Confident89 Ų8945 Ų4558%0.57827%0.272SS*.Hα-helixtrans-56.5-28.7-174.7-29.836.4000115.9L211 Q212 V213P209-L211 VanDerWaalsContact C-N 3.34Å; P209-Q212 WeakPolarHBondContact O-CB 3.44Å; P209-Q212 PolarHBondContact O-N 3.15Å; P209-V213 WeakPolarHBondContact O-CG2 3.48Å; P209-V213 PolarHBondContact O-N 2.75Å; P209-V213 VanDerWaalsContact O-N 3.08Å
210S60.5Low70.2Confident68 Ų6847.3 Ų47.348%0.47628%0.279SS..Hα-helixtrans-67.3-33.6174.5500000112.8V208 V213 V214V208-S210 WeakPolarHBondContact CG1-OG 3.32Å; V208-S210 PolarHBondContact O-N 3.37Å; S210-V213 PolarHBondContact O-N 2.85Å; S210-V214 WeakPolarHBondContact O-CG2 2.93Å; S210-V214 PolarHBondContact O-N 2.94Å; S210-V214 VanDerWaalsContact O-N 3.08Å
211L66.9Low70Confident5 Ų547.7 Ų47.73%0.02628%0.284CS..Hα-helixtrans-72.2-36.6174.3-59.3179.1000111.1V205 V208 P209 V213 V214 L215 F625V205-L211 HydrophobicContact CB-CB 4.44Å; V205-L211 HydrophobicContact CG1-CB 3.96Å; V208-L211 HydrophobicContact CB-CB 4.39Å; V208-L211 HydrophobicContact CB-CD1 3.88Å; V208-L211 HydrophobicContact CB-CG 4.01Å; V208-L211 HydrophobicContact CG1-CD1 4.12Å; V208-L211 HydrophobicContact CG1-CG 3.85Å; V208-L211 HydrophobicContact CG2-CD1 4.38Å; V208-L211 WeakPolarHBondContact O-CB 3.1Å; V208-L211 PolarHBondContact O-N 3.4Å; P209-L211 VanDerWaalsContact C-N 3.34Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 2.98Å; L211-V214 PolarHBondContact O-N 3.43Å; L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.49Å; L211-L215 PolarHBondContact O-N 2.89Å; L211-F625 HydrophobicContact CD1-CD1 3.49Å; L211-F625 VanDerWaalsContact CD1-CD1 3.49Å; L211-F625 HydrophobicContact CD1-CE1 3.49Å; L211-F625 VanDerWaalsContact CD1-CE1 3.49Å; L211-F625 HydrophobicContact CD2-CD1 4.07Å; L211-F625 HydrophobicContact CG-CD1 4.42Å
212Q69.9Low70Confident74 Ų7450.2 Ų50.235%0.34630%0.296SS..Hα-helixtrans-58.1-45.2171.9-57.9-174.25.700111.8V205 S206 V208 P209 T216V205-Q212 WeakPolarHBondContact O-CG 3.49Å; S206-Q212 PolarHBondContact O-NE2 3.02Å; V208-Q212 PolarHBondContact O-N 3.13Å; P209-Q212 WeakPolarHBondContact O-CB 3.44Å; P209-Q212 PolarHBondContact O-N 3.15Å; Q212-T216 VanDerWaalsContact O-CB 3.28Å; Q212-T216 WeakPolarHBondContact O-CB 3.35Å; Q212-T216 PolarHBondContact O-N 3.22Å; Q212-T216 PolarHBondContact O-OG1 3.35Å
213V66.1Low70.1Confident95 Ų9551 Ų5158%0.57631%0.309SS*.Hα-helixtrans-63.6-47.9178.2171.90000110.9P209 S210 L211 T216 S217P209-V213 WeakPolarHBondContact O-CG2 3.48Å; P209-V213 PolarHBondContact O-N 2.75Å; P209-V213 VanDerWaalsContact O-N 3.08Å; S210-V213 PolarHBondContact O-N 2.85Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 2.98Å; V213-T216 PolarHBondContact O-N 3.13Å; V213-S217 PolarHBondContact O-N 2.79Å; V213-S217 PolarHBondContact O-OG 2.97Å
214V65.4Low70.4Confident34 Ų3451.6 Ų51.621%0.20631%0.314CS..Hα-helixtrans-60.7-49.2177.81730000111.1S210 L211 T216 S217 I218 L626S210-V214 WeakPolarHBondContact O-CG2 2.93Å; S210-V214 PolarHBondContact O-N 2.94Å; S210-V214 VanDerWaalsContact O-N 3.08Å; L211-V214 PolarHBondContact O-N 3.43Å; V214-T216 VanDerWaalsContact C-N 3.3Å; V214-T216 PolarHBondContact O-N 2.94Å; V214-S217 PolarHBondContact O-N 3.24Å; V214-S217 VanDerWaalsContact O-N 3.14Å; V214-I218 HydrophobicContact CG1-CD1 3.87Å; V214-I218 HydrophobicContact CG1-CG1 4.43Å; V214-I218 WeakPolarHBondContact O-CG1 2.95Å; V214-I218 PolarHBondContact O-N 2.81Å; V214-L626 HydrophobicContact CB-CD1 4.45Å; V214-L626 HydrophobicContact CG1-CD1 3.76Å
215L69.3Low70.6Confident42 Ų4251.6 Ų51.622%0.2231%0.314CS..Hα-helixtrans-60.9-38.2177.7-178.561.5000112.1W165 V205 L211 I218 I219W165-L215 HydrophobicContact CH2-CD2 4.21Å; W165-L215 HydrophobicContact CZ2-CD2 4.39Å; V205-L215 HydrophobicContact CG1-CB 4.43Å; V205-L215 HydrophobicContact CG1-CD2 3.88Å; L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.49Å; L211-L215 PolarHBondContact O-N 2.89Å; L215-I218 PolarHBondContact O-N 3.44Å; L215-I219 HydrophobicContact CD1-CD1 4.02Å; L215-I219 HydrophobicContact CD1-CG1 4.24Å; L215-I219 HydrophobicContact CG-CD1 3.88Å; L215-I219 WeakPolarHBondContact O-CG1 3.47Å; L215-I219 PolarHBondContact O-N 3.47Å
216T71Confident70.9Confident69 Ų6956.9 Ų56.942%0.42334%0.342SS..Hα-helixtrans-66.1-38.1175.9-580000111.9Q212 V213 V214 K220Q212-T216 VanDerWaalsContact O-CB 3.28Å; Q212-T216 WeakPolarHBondContact O-CB 3.35Å; Q212-T216 PolarHBondContact O-N 3.22Å; Q212-T216 PolarHBondContact O-OG1 3.35Å; V213-T216 PolarHBondContact O-N 3.13Å; V214-T216 VanDerWaalsContact C-N 3.3Å; V214-T216 PolarHBondContact O-N 2.94Å; T216-K220 HydrophobicContact CG2-CD 4.4Å; T216-K220 WeakPolarHBondContact O-CB 3.38Å; T216-K220 VanDerWaalsContact O-CG 3.28Å; T216-K220 WeakPolarHBondContact O-CG 3.48Å; T216-K220 PolarHBondContact O-N 3.24Å
217S67.8Low71.4Confident51 Ų5159.3 Ų59.336%0.35735%0.349SS..Hα-helixtrans-67.3-39.2172.7-75.10000112.3V213 V214 K220 A221V213-S217 PolarHBondContact O-N 2.79Å; V213-S217 PolarHBondContact O-OG 2.97Å; V214-S217 PolarHBondContact O-N 3.24Å; V214-S217 VanDerWaalsContact O-N 3.14Å; S217-K220 PolarHBondContact O-N 2.9Å; S217-A221 PolarHBondContact O-N 3.19Å
218I71.2Confident72.2Confident16 Ų1657.3 Ų57.38%0.08233%0.327CS..Hα-helixtrans-60.2-54.7174.9-69.5170.7000110.5V214 L215 K220 A221 M222 L626 T711 V715V214-I218 HydrophobicContact CG1-CD1 3.87Å; V214-I218 HydrophobicContact CG1-CG1 4.43Å; V214-I218 WeakPolarHBondContact O-CG1 2.95Å; V214-I218 PolarHBondContact O-N 2.81Å; L215-I218 PolarHBondContact O-N 3.44Å; I218-K220 PolarHBondContact O-N 2.79Å; I218-A221 PolarHBondContact O-N 3.04Å; I218-M222 HydrophobicContact CG2-CG 4.3Å; I218-M222 HydrophobicContact CG2-SD 3.66Å; I218-M222 WeakPolarHBondContact O-CG 3.06Å; I218-M222 PolarHBondContact O-N 2.94Å; I218-L626 HydrophobicContact CD1-CD1 3.87Å; I218-L626 HydrophobicContact CD1-CD2 4.28Å; I218-T711 HydrophobicContact CG2-CG2 3.52Å; I218-V715 HydrophobicContact CD1-CG2 3.96Å; I218-V715 HydrophobicContact CG1-CG2 3.65Å
219I77.3Confident72.9Confident103 Ų10356.9 Ų56.953%0.52833%0.332SS..Hα-helixtrans-59.7-36.5-178.2-68167.7000111.4L215 M222 A223L215-I219 HydrophobicContact CD1-CD1 4.02Å; L215-I219 HydrophobicContact CD1-CG1 4.24Å; L215-I219 HydrophobicContact CG-CD1 3.88Å; L215-I219 WeakPolarHBondContact O-CG1 3.47Å; L215-I219 PolarHBondContact O-N 3.47Å; I219-M222 PolarHBondContact O-N 3.41Å; I219-A223 PolarHBondContact O-N 3.1Å
220K73.8Confident74Confident116 Ų11656.7 Ų56.750%0.50433%0.326SS..Hα-helixtrans-64.5-44.9173.3-75.8173178.9-179.80112.6T216 S217 I218 M222 A223T216-K220 HydrophobicContact CG2-CD 4.4Å; T216-K220 WeakPolarHBondContact O-CB 3.38Å; T216-K220 VanDerWaalsContact O-CG 3.28Å; T216-K220 WeakPolarHBondContact O-CG 3.48Å; T216-K220 PolarHBondContact O-N 3.24Å; S217-K220 PolarHBondContact O-N 2.9Å; I218-K220 PolarHBondContact O-N 2.79Å; K220-M222 VanDerWaalsContact C-N 3.29Å; K220-M222 PolarHBondContact O-N 2.74Å; K220-A223 PolarHBondContact O-N 2.96Å
221A71.3Confident75Confident14 Ų1454.6 Ų54.612%0.11631%0.309CS..Hα-helixtrans-68.6-26178.400000113.2S217 I218 P224 L370 F374S217-A221 PolarHBondContact O-N 3.19Å; I218-A221 PolarHBondContact O-N 3.04Å; A221-P224 WeakPolarHBondContact O-CD 3.07Å; A221-L370 HydrophobicContact CB-CD2 4.26Å; A221-F374 HydrophobicContact CB-CE1 3.97Å; A221-F374 HydrophobicContact CB-CZ 4.44Å
222M74.6Confident75.9Confident53 Ų5355.6 Ų55.626%0.26132%0.315SS..Hα-helixtrans-75.6-20.6176.2-67.9173.982.600113.9I218 I219 K220 L225 L226 F707 T711I218-M222 HydrophobicContact CG2-CG 4.3Å; I218-M222 HydrophobicContact CG2-SD 3.66Å; I218-M222 WeakPolarHBondContact O-CG 3.06Å; I218-M222 PolarHBondContact O-N 2.94Å; I219-M222 PolarHBondContact O-N 3.41Å; K220-M222 VanDerWaalsContact C-N 3.29Å; K220-M222 PolarHBondContact O-N 2.74Å; M222-L225 WeakPolarHBondContact O-CB 3.43Å; M222-L225 PolarHBondContact O-N 2.95Å; M222-L225 VanDerWaalsContact O-N 3.1Å; M222-L226 PolarHBondContact O-N 2.86Å; M222-L226 VanDerWaalsContact O-N 3.1Å; M222-F707 HydrophobicContact CE-CD1 3.64Å; M222-F707 HydrophobicContact CE-CE1 3.66Å; M222-T711 HydrophobicContact CE-CG2 4.36Å; M222-T711 HydrophobicContact SD-CG2 3.9Å
223A80.3Confident76.6Confident63 Ų6356.6 Ų56.652%0.52132%0.323SS..Hα-helixtrans-57.7-46.7-178.500000114.2I219 K220 L226I219-A223 PolarHBondContact O-N 3.1Å; K220-A223 PolarHBondContact O-N 2.96Å; A223-L226 WeakPolarHBondContact O-CB 3.45Å; A223-L226 PolarHBondContact O-N 2.77Å
224P77.6Confident77.5Confident27 Ų2754 Ų5418%0.17530%0.304CS..Hα-helixtrans-74.3-25.2172.328.6-34.7000113.3A221 L226 Q227 V369 E373A221-P224 WeakPolarHBondContact O-CD 3.07Å; P224-L226 PolarHBondContact O-N 3.02Å; P224-Q227 WeakPolarHBondContact O-CB 3.47Å; P224-Q227 PolarHBondContact O-N 3.15Å; P224-Q227 VanDerWaalsContact O-N 3.1Å; P224-V369 HydrophobicContact CB-CG1 3.76Å; P224-V369 HydrophobicContact CG-CG1 3.87Å; P224-E373 HydrophobicContact CG-CG 3.94Å
225L79.2Confident78.4Confident26 Ų2653.1 Ų53.114%0.13630%0.3CS..Hα-helixtrans-62.6-27172-61.8-175000112.5M222 Q227 I228 G229 V366 V369 L370 N714M222-L225 WeakPolarHBondContact O-CB 3.43Å; M222-L225 PolarHBondContact O-N 2.95Å; M222-L225 VanDerWaalsContact O-N 3.1Å; L225-Q227 VanDerWaalsContact C-N 3.25Å; L225-Q227 PolarHBondContact O-N 2.66Å; L225-I228 HydrophobicContact CD2-CD1 3.81Å; L225-I228 CarbonylContact O-C 3.43Å; L225-I228 WeakPolarHBondContact O-CA 3.35Å; L225-I228 WeakPolarHBondContact O-CB 3.49Å; L225-I228 PolarHBondContact O-N 2.74Å; L225-I228 VanDerWaalsContact O-N 3.11Å; L225-G229 PolarHBondContact O-N 3.39Å; L225-V366 HydrophobicContact CD2-CB 4.47Å; L225-V366 HydrophobicContact CD2-CG1 4.02Å; L225-V366 HydrophobicContact CD2-CG2 4.36Å; L225-V369 HydrophobicContact CD2-CG1 4.43Å; L225-L370 HydrophobicContact CD1-CD1 4.42Å; L225-L370 HydrophobicContact CD1-CD2 4.19Å; L225-L370 HydrophobicContact CD2-CD1 4.15Å; L225-L370 HydrophobicContact CD2-CD2 4.22Å; L225-L370 HydrophobicContact CD2-CG 3.99Å; L225-L370 HydrophobicContact CG-CD2 4.32Å; L225-N714 WeakPolarHBondContact CD1-ND2 3.42Å
226L80.8Confident79.4Confident117 Ų11751.7 Ų51.761%0.61329%0.292SS*.Hα-helixtrans-61.1-35.5173.8-170.1151.6000111.8M222 A223 P224 I228 G229 I230M222-L226 PolarHBondContact O-N 2.86Å; M222-L226 VanDerWaalsContact O-N 3.1Å; A223-L226 WeakPolarHBondContact O-CB 3.45Å; A223-L226 PolarHBondContact O-N 2.77Å; P224-L226 PolarHBondContact O-N 3.02Å; L226-I228 VanDerWaalsContact C-N 3.32Å; L226-G229 PolarHBondContact O-N 2.77Å; L226-I230 HydrophobicContact CD2-CD1 3.73Å; L226-I230 HydrophobicContact CD2-CG1 4.39Å; L226-I230 WeakPolarHBondContact O-CG1 3.46Å; L226-I230 PolarHBondContact O-N 2.84Å; L226-I230 VanDerWaalsContact O-N 3.08Å
227Q81.1Confident80.3Confident88 Ų8849.9 Ų49.941%0.41128%0.28SS..Hα-helixtrans-68-34.1175.3-57.1-178.8-2.900111.8P224 L225 L231P224-Q227 WeakPolarHBondContact O-CB 3.47Å; P224-Q227 PolarHBondContact O-N 3.15Å; P224-Q227 VanDerWaalsContact O-N 3.1Å; L225-Q227 VanDerWaalsContact C-N 3.25Å; L225-Q227 PolarHBondContact O-N 2.66Å; Q227-L231 PolarHBondContact O-N 3.04Å
228I83.1Confident81.2Confident5 Ų549.6 Ų49.63%0.02627%0.274CS..Hα-helixtrans-66-48.3170.2-60.2179.2000110.1L225 L226 I230 L231 V232 L362 L365 V366 V369L225-I228 HydrophobicContact CD2-CD1 3.81Å; L225-I228 CarbonylContact O-C 3.43Å; L225-I228 WeakPolarHBondContact O-CA 3.35Å; L225-I228 WeakPolarHBondContact O-CB 3.49Å; L225-I228 PolarHBondContact O-N 2.74Å; L225-I228 VanDerWaalsContact O-N 3.11Å; L226-I228 VanDerWaalsContact C-N 3.32Å; I228-I230 PolarHBondContact O-N 3.12Å; I228-L231 CarbonylContact O-C 3.58Å; I228-L231 WeakPolarHBondContact O-CA 3.46Å; I228-L231 WeakPolarHBondContact O-CB 3.44Å; I228-L231 PolarHBondContact O-N 2.78Å; I228-V232 HydrophobicContact CG2-CG2 4.12Å; I228-V232 WeakPolarHBondContact O-CG2 3.46Å; I228-V232 PolarHBondContact O-N 2.79Å; I228-L362 HydrophobicContact CG2-CD1 3.4Å; I228-L362 VanDerWaalsContact CG2-CD1 3.4Å; I228-L365 HydrophobicContact CB-CD2 4.33Å; I228-L365 HydrophobicContact CD1-CD2 4.23Å; I228-L365 HydrophobicContact CD1-CG 3.88Å; I228-L365 HydrophobicContact CG1-CD2 3.88Å; I228-L365 HydrophobicContact CG1-CG 4.04Å; I228-L365 HydrophobicContact CG2-CD2 3.85Å; I228-L365 HydrophobicContact CG2-CG 4.48Å; I228-V366 HydrophobicContact CD1-CG2 3.97Å; I228-V366 HydrophobicContact CG2-CG2 4.02Å; I228-V369 HydrophobicContact CD1-CB 4.04Å; I228-V369 HydrophobicContact CD1-CG1 4.46Å; I228-V369 HydrophobicContact CD1-CG2 3.92Å
229G82.7Confident82.2Confident39 Ų3950.1 Ų50.140%0.40228%0.276SS..Hα-helixtrans-55.8-35.8179.600000113.3L225 L226 V232 L233L225-G229 PolarHBondContact O-N 3.39Å; L226-G229 PolarHBondContact O-N 2.77Å; G229-V232 PolarHBondContact O-N 2.76Å; G229-L233 WeakPolarHBondContact O-CB 3.39Å; G229-L233 PolarHBondContact O-N 3.23Å
230I83.7Confident82.9Confident86 Ų8645.2 Ų45.244%0.44125%0.251SS..Hα-helixtrans-65.7-41.7172.8-67.1168.2000111.7L226 I228 F234 I1316L226-I230 HydrophobicContact CD2-CD1 3.73Å; L226-I230 HydrophobicContact CD2-CG1 4.39Å; L226-I230 WeakPolarHBondContact O-CG1 3.46Å; L226-I230 PolarHBondContact O-N 2.84Å; L226-I230 VanDerWaalsContact O-N 3.08Å; I228-I230 PolarHBondContact O-N 3.12Å; I230-F234 VanDerWaalsContact O-CB 3.32Å; I230-F234 WeakPolarHBondContact O-CB 3.42Å; I230-F234 PolarHBondContact O-N 3.33Å; I230-I1316 HydrophobicContact CG2-CD1 3.81Å
231L83Confident83.7Confident23 Ų2339.9 Ų39.912%0.1223%0.228CC..Hα-helixtrans-64.3-39.3174.3173.762.1000111.7Q227 I228 F234 A235 L365 I1316 L1319Q227-L231 PolarHBondContact O-N 3.04Å; I228-L231 CarbonylContact O-C 3.58Å; I228-L231 WeakPolarHBondContact O-CA 3.46Å; I228-L231 WeakPolarHBondContact O-CB 3.44Å; I228-L231 PolarHBondContact O-N 2.78Å; L231-F234 PolarHBondContact O-N 2.78Å; L231-A235 WeakPolarHBondContact O-CB 3.47Å; L231-A235 PolarHBondContact O-N 3.28Å; L231-L365 HydrophobicContact CD2-CD2 3.89Å; L231-I1316 HydrophobicContact CB-CG2 4.37Å; L231-I1316 HydrophobicContact CD1-CG2 3.92Å; L231-L1319 HydrophobicContact CD2-CD2 3.59Å
232V84Confident84.6Confident26 Ų2640 Ų4016%0.15823%0.227CC..Hα-helixtrans-65.6-48.3176.6178.90000111.3I228 G229 F234 A235 I236 L362I228-V232 HydrophobicContact CG2-CG2 4.12Å; I228-V232 WeakPolarHBondContact O-CG2 3.46Å; I228-V232 PolarHBondContact O-N 2.79Å; G229-V232 PolarHBondContact O-N 2.76Å; V232-F234 PolarHBondContact O-N 3.13Å; V232-A235 PolarHBondContact O-N 3.44Å; V232-I236 HydrophobicContact CG1-CD1 3.8Å; V232-I236 HydrophobicContact CG1-CG1 4.32Å; V232-I236 WeakPolarHBondContact O-CG1 3.44Å; V232-I236 PolarHBondContact O-N 3.47Å; V232-L362 HydrophobicContact CB-CD2 4.37Å; V232-L362 HydrophobicContact CG1-CD2 3.88Å; V232-L362 HydrophobicContact CG2-CD1 3.25Å; V232-L362 HydrophobicContact CG2-CD2 3.48Å; V232-L362 VanDerWaalsContact CG2-CD2 3.48Å; V232-L362 HydrophobicContact CG2-CG 3.93Å
233L85.8Confident85.3Confident96 Ų9637.5 Ų37.550%0.50322%0.215SC..Hα-helixtrans-58.2-39.6176.7-177.763.6000111.2G229 L237 M319G229-L233 WeakPolarHBondContact O-CB 3.39Å; G229-L233 PolarHBondContact O-N 3.23Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 PolarHBondContact O-N 3.01Å; L233-M319 HydrophobicContact CD1-CE 3.75Å
234F84Confident85.8Confident40 Ų4034.5 Ų34.518%0.17519%0.19CC..Hα-helixtrans-67.1-37.6174.7-175-93.5000112.8I230 L231 V232 L237 I238 L1306 L1309 I1310I230-F234 VanDerWaalsContact O-CB 3.32Å; I230-F234 WeakPolarHBondContact O-CB 3.42Å; I230-F234 PolarHBondContact O-N 3.33Å; L231-F234 PolarHBondContact O-N 2.78Å; V232-F234 PolarHBondContact O-N 3.13Å; F234-L237 PolarHBondContact O-N 2.88Å; F234-I238 HydrophobicContact CD1-CD1 3.96Å; F234-I238 HydrophobicContact CE1-CD1 3.56Å; F234-I238 HydrophobicContact CE1-CG1 4.34Å; F234-I238 HydrophobicContact CZ-CD1 4.31Å; F234-I238 WeakPolarHBondContact O-CG1 3.46Å; F234-I238 PolarHBondContact O-N 2.83Å; F234-L1306 HydrophobicContact CD2-CD2 4.2Å; F234-L1306 HydrophobicContact CE1-CD2 4.13Å; F234-L1306 HydrophobicContact CE2-CD1 4.31Å; F234-L1306 HydrophobicContact CE2-CD2 3.53Å; F234-L1306 HydrophobicContact CE2-CG 3.73Å; F234-L1306 HydrophobicContact CZ-CD2 3.49Å; F234-L1306 VanDerWaalsContact CZ-CD2 3.49Å; F234-L1306 HydrophobicContact CZ-CG 3.82Å; F234-L1309 HydrophobicContact CE2-CB 4.26Å; F234-I1310 HydrophobicContact CD1-CG1 4.39Å; F234-I1310 HydrophobicContact CE1-CD1 3.67Å; F234-I1310 HydrophobicContact CE1-CG1 3.43Å; F234-I1310 VanDerWaalsContact CE1-CG1 3.43Å; F234-I1310 HydrophobicContact CZ-CD1 4.22Å; F234-I1310 HydrophobicContact CZ-CG1 3.58Å
235A84.7Confident86.2Confident16 Ų1634 Ų3413%0.13219%0.185CC..Hα-helixtrans-68.5-46.3174.400000112.2L231 V232 L237 I238 F239L231-A235 WeakPolarHBondContact O-CB 3.47Å; L231-A235 PolarHBondContact O-N 3.28Å; V232-A235 PolarHBondContact O-N 3.44Å; A235-L237 VanDerWaalsContact C-N 3.26Å; A235-L237 PolarHBondContact O-N 3.07Å; A235-I238 WeakPolarHBondContact O-CB 3.19Å; A235-I238 PolarHBondContact O-N 2.87Å; A235-I238 VanDerWaalsContact O-N 3.15Å; A235-F239 WeakPolarHBondContact O-CD2 3.45Å; A235-F239 PolarHBondContact O-N 3.27Å
236I90.7Very high86.5Confident11 Ų1135.7 Ų35.76%0.05619%0.191CC..Hα-helixtrans-52.4-48.3172.1-72.1166.1000109.7V232 I238 F239 A240 M319 V322 F323 I326V232-I236 HydrophobicContact CG1-CD1 3.8Å; V232-I236 HydrophobicContact CG1-CG1 4.32Å; V232-I236 WeakPolarHBondContact O-CG1 3.44Å; V232-I236 PolarHBondContact O-N 3.47Å; I236-I238 PolarHBondContact O-N 3.16Å; I236-F239 PolarHBondContact O-N 3.45Å; I236-A240 WeakPolarHBondContact O-CB 3.46Å; I236-A240 PolarHBondContact O-N 3.48Å; I236-M319 HydrophobicContact CG2-CB 4.06Å; I236-M319 HydrophobicContact CG2-CE 4.26Å; I236-M319 HydrophobicContact CG2-CG 3.99Å; I236-V322 HydrophobicContact CB-CG1 4.26Å; I236-V322 HydrophobicContact CG1-CG1 4.27Å; I236-V322 HydrophobicContact CG2-CB 4.44Å; I236-V322 HydrophobicContact CG2-CG1 4.05Å; I236-F323 HydrophobicContact CD1-CB 4.39Å; I236-F323 HydrophobicContact CD1-CD2 4.03Å; I236-I326 HydrophobicContact CD1-CD1 4.48Å; I236-I326 HydrophobicContact CG1-CD1 3.64Å
237L89.4Confident86.9Confident32 Ų3230.6 Ų30.617%0.16816%0.164CC..Hα-helixtrans-63.3-36.9-179.5-177.4157.9000112.8L233 F234 A235 I241 M1205 L1306L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 PolarHBondContact O-N 3.01Å; F234-L237 PolarHBondContact O-N 2.88Å; A235-L237 VanDerWaalsContact C-N 3.26Å; A235-L237 PolarHBondContact O-N 3.07Å; L237-I241 HydrophobicContact CD2-CD1 3.77Å; L237-I241 HydrophobicContact CG-CD1 4.43Å; L237-I241 VanDerWaalsContact O-CG1 3.3Å; L237-I241 WeakPolarHBondContact O-CG1 3.32Å; L237-I241 PolarHBondContact O-N 3.08Å; L237-I241 VanDerWaalsContact O-N 3.09Å; L237-M1205 HydrophobicContact CD1-CE 3.7Å; L237-M1205 HydrophobicContact CD2-CE 3.77Å; L237-M1205 HydrophobicContact CG-CE 3.89Å; L237-L1306 HydrophobicContact CD2-CD1 3.55Å; L237-L1306 HydrophobicContact CD2-CD2 3.54Å; L237-L1306 HydrophobicContact CD2-CG 4.21Å
238I87.9Confident87.2Confident44 Ų4427.6 Ų27.623%0.22615%0.153CC..Hα-helixtrans-60.7-56.9170.5-71.6168.4000110.4F234 A235 I236 A240 I241 V242 L1306 I1307F234-I238 HydrophobicContact CD1-CD1 3.96Å; F234-I238 HydrophobicContact CE1-CD1 3.56Å; F234-I238 HydrophobicContact CE1-CG1 4.34Å; F234-I238 HydrophobicContact CZ-CD1 4.31Å; F234-I238 WeakPolarHBondContact O-CG1 3.46Å; F234-I238 PolarHBondContact O-N 2.83Å; A235-I238 WeakPolarHBondContact O-CB 3.19Å; A235-I238 PolarHBondContact O-N 2.87Å; A235-I238 VanDerWaalsContact O-N 3.15Å; I236-I238 PolarHBondContact O-N 3.16Å; I238-A240 VanDerWaalsContact C-N 3.29Å; I238-A240 PolarHBondContact O-N 3.47Å; I238-I241 PolarHBondContact O-N 3.11Å; I238-V242 WeakPolarHBondContact O-CG2 3.21Å; I238-V242 PolarHBondContact O-N 2.95Å; I238-L1306 HydrophobicContact CD1-CD2 4.04Å; I238-L1306 HydrophobicContact CG1-CD2 3.3Å; I238-I1307 HydrophobicContact CD1-CG1 4.25Å
239F91.2Very high87.1Confident28 Ų2827.9 Ų27.912%0.12316%0.157CC..Hα-helixtrans-66.8-32-174.6-78.8-80.3000111.9A235 I236 V242 G243 V322 Y350 L354 I357A235-F239 WeakPolarHBondContact O-CD2 3.45Å; A235-F239 PolarHBondContact O-N 3.27Å; I236-F239 PolarHBondContact O-N 3.45Å; F239-V242 PolarHBondContact O-N 3.27Å; F239-G243 PolarHBondContact O-N 3.05Å; F239-V322 HydrophobicContact CB-CG1 3.84Å; F239-V322 HydrophobicContact CB-CG2 4.23Å; F239-Y350 HydrophobicContact CB-CE2 4.4Å; F239-Y350 HydrophobicContact CD1-CD2 4.22Å; F239-Y350 AromaticContact CD1-CE2 3.88Å; F239-Y350 HydrophobicContact CD1-CE2 3.88Å; F239-Y350 WeakPolarHBondContact O-CE2 3.36Å; F239-Y350 PolarHBondContact O-OH 3.34Å; F239-L354 HydrophobicContact CB-CD1 3.99Å; F239-L354 HydrophobicContact CD1-CB 4.03Å; F239-L354 HydrophobicContact CD1-CD1 4.09Å; F239-L354 HydrophobicContact CD2-CD1 3.72Å; F239-L354 HydrophobicContact CE1-CB 3.91Å; F239-L354 HydrophobicContact CE1-CD1 4.5Å; F239-L354 HydrophobicContact CE2-CD1 4.17Å; F239-L354 HydrophobicContact CG-CB 4.49Å; F239-L354 HydrophobicContact CG-CD1 3.69Å; F239-L354 HydrophobicContact CZ-CB 4.26Å; F239-I357 HydrophobicContact CE2-CG2 4.43Å; F239-I357 HydrophobicContact CZ-CD1 4.48Å
240A93.1Very high87.2Confident0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-67.4-43.9174.700000112.2I236 I238 V242 G243 L244 I315 A318 M319 V322I236-A240 WeakPolarHBondContact O-CB 3.46Å; I236-A240 PolarHBondContact O-N 3.48Å; I238-A240 VanDerWaalsContact C-N 3.29Å; I238-A240 PolarHBondContact O-N 3.47Å; A240-V242 VanDerWaalsContact C-N 3.32Å; A240-V242 PolarHBondContact O-N 3.43Å; A240-G243 PolarHBondContact O-N 3.01Å; A240-L244 VanDerWaalsContact O-CB 3.22Å; A240-L244 WeakPolarHBondContact O-CB 3.38Å; A240-L244 PolarHBondContact O-N 2.91Å; A240-I315 HydrophobicContact CB-CD1 3.93Å; A240-A318 HydrophobicContact CB-CB 3.94Å; A240-M319 HydrophobicContact CB-CB 4.38Å; A240-M319 HydrophobicContact CB-CG 3.63Å; A240-V322 HydrophobicContact CB-CG2 4.35Å
241I90.6Very high87.4Confident4 Ų422.7 Ų22.72%0.02112%0.121CC..Hα-helixtrans-63.2-39.8173.3-70171.9000110.9L237 I238 L244 E245 I315 L1204 M1205 A1303L237-I241 HydrophobicContact CD2-CD1 3.77Å; L237-I241 HydrophobicContact CG-CD1 4.43Å; L237-I241 VanDerWaalsContact O-CG1 3.3Å; L237-I241 WeakPolarHBondContact O-CG1 3.32Å; L237-I241 PolarHBondContact O-N 3.08Å; L237-I241 VanDerWaalsContact O-N 3.09Å; I238-I241 PolarHBondContact O-N 3.11Å; I241-L244 PolarHBondContact O-N 2.88Å; I241-E245 WeakPolarHBondContact O-CG 3.33Å; I241-E245 PolarHBondContact O-N 3.01Å; I241-E245 VanDerWaalsContact O-N 3.13Å; I241-I315 HydrophobicContact CG1-CD1 3.95Å; I241-L1204 HydrophobicContact CG2-CB 4.1Å; I241-L1204 HydrophobicContact CG2-CD1 4.31Å; I241-M1205 HydrophobicContact CD1-CE 3.94Å; I241-M1205 HydrophobicContact CD1-CG 3.96Å; I241-M1205 HydrophobicContact CG1-CG 4.21Å; I241-A1303 HydrophobicContact CG2-CB 4.01Å
242V88.9Confident87.6Confident17 Ų1722.9 Ų22.910%0.10312%0.122CC..Hα-helixtrans-65.6-42.4176.1172.70000111.3I238 F239 A240 E245 F246 Y350 L1300 A1303I238-V242 WeakPolarHBondContact O-CG2 3.21Å; I238-V242 PolarHBondContact O-N 2.95Å; F239-V242 PolarHBondContact O-N 3.27Å; A240-V242 VanDerWaalsContact C-N 3.32Å; A240-V242 PolarHBondContact O-N 3.43Å; V242-E245 PolarHBondContact O-N 2.8Å; V242-E245 VanDerWaalsContact O-N 3.15Å; V242-F246 HydrophobicContact CG1-CD2 3.85Å; V242-F246 HydrophobicContact CG1-CE2 3.85Å; V242-F246 VanDerWaalsContact O-CD2 3.28Å; V242-F246 WeakPolarHBondContact O-CD2 3.17Å; V242-F246 PolarHBondContact O-N 3.27Å; V242-Y350 HydrophobicContact CB-CE2 4.09Å; V242-Y350 HydrophobicContact CG1-CD2 3.82Å; V242-Y350 HydrophobicContact CG1-CE2 3.77Å; V242-L1300 HydrophobicContact CB-CD2 4.45Å; V242-L1300 HydrophobicContact CG1-CD2 3.73Å; V242-L1300 HydrophobicContact CG2-CD2 3.85Å; V242-A1303 HydrophobicContact CG2-CB 4.15Å
243G89.7Confident87.6Confident0 Ų023.4 Ų23.40%012%0.124CC..Hα-helixtrans-63-44.1175.300000112.3F239 A240 E245 F246 Y247F239-G243 PolarHBondContact O-N 3.05Å; A240-G243 PolarHBondContact O-N 3.01Å; G243-E245 PolarHBondContact O-N 3.37Å; G243-F246 PolarHBondContact O-N 3.04Å; G243-F246 VanDerWaalsContact O-N 3.14Å; G243-Y247 PolarHBondContact O-N 3.15Å
244L90.4Very high87.7Confident0 Ų018.8 Ų18.80%010%0.101CC..Hα-helixtrans-60.6-21.7173.5-175.862000112.9A240 I241 S248 F312 I315 K1207A240-L244 VanDerWaalsContact O-CB 3.22Å; A240-L244 WeakPolarHBondContact O-CB 3.38Å; A240-L244 PolarHBondContact O-N 2.91Å; I241-L244 PolarHBondContact O-N 2.88Å; L244-S248 VanDerWaalsContact O-CB 3.28Å; L244-S248 WeakPolarHBondContact O-CB 3.29Å; L244-F312 WeakPolarHBondContact CD1-O 3.5Å; L244-I315 HydrophobicContact CD2-CB 4.33Å; L244-K1207 HydrophobicContact CD2-CB 4.22Å; L244-K1207 HydrophobicContact CG-CB 4.32Å; L244-K1207 HydrophobicContact CG-CD 4.29Å; L244-K1207 HydrophobicContact CG-CG 4.48Å; L244-K1207 WeakPolarHBondContact O-CE 3.21Å; L244-K1207 PolarHBondContact O-NZ 2.93Å
245E86.4Confident87.8Confident15 Ų1516.9 Ų16.97%0.079%0.092CC..Hα-helixtrans-90.3-17176.5-73.1-79.9-128.600115.2I241 V242 G243 K1207 R1299 R1302I241-E245 WeakPolarHBondContact O-CG 3.33Å; I241-E245 PolarHBondContact O-N 3.01Å; I241-E245 VanDerWaalsContact O-N 3.13Å; V242-E245 PolarHBondContact O-N 2.8Å; V242-E245 VanDerWaalsContact O-N 3.15Å; G243-E245 PolarHBondContact O-N 3.37Å; E245-K1207 IonicContact OE2-NZ 3.77Å; E245-K1207 PolarHBondContact OE2-NZ 3.45Å; E245-R1299 PolarHBondContact O-NH1 3.13Å; E245-R1299 VanDerWaalsContact O-NH1 3.09Å; E245-R1302 IonicContact OE1-CZ 3.19Å; E245-R1302 IonicContact OE1-NE 3.51Å; E245-R1302 PolarHBondContact OE1-NE 3.18Å; E245-R1302 IonicContact OE1-NH2 2.62Å; E245-R1302 PolarHBondContact OE1-NH2 2.85Å; E245-R1302 IonicContact OE2-NH2 3.23Å
246F86.1Confident87.8Confident62 Ų6216.3 Ų16.327%0.2729%0.087SC..Hα-helixtrans-115.3-35.7179.9-71.8-63.6000115.4V242 G243 Y342 G1296 L1300V242-F246 HydrophobicContact CG1-CD2 3.85Å; V242-F246 HydrophobicContact CG1-CE2 3.85Å; V242-F246 VanDerWaalsContact O-CD2 3.28Å; V242-F246 WeakPolarHBondContact O-CD2 3.17Å; V242-F246 PolarHBondContact O-N 3.27Å; G243-F246 PolarHBondContact O-N 3.04Å; G243-F246 VanDerWaalsContact O-N 3.14Å; F246-Y342 WeakPolarHBondContact O-CE2 3.44Å; F246-G1296 WeakPolarHBondContact CE1-O 3.31Å; F246-L1300 HydrophobicContact CE2-CD2 3.87Å; F246-L1300 HydrophobicContact CE2-CG 4.14Å; F246-L1300 HydrophobicContact CZ-CD1 4.46Å; F246-L1300 HydrophobicContact CZ-CD2 4.38Å; F246-L1300 HydrophobicContact CZ-CG 4.14Å
247Y88.7Confident87.5Confident10 Ų1019.9 Ų19.94%0.03910%0.103CC..THydrogen-bonded Turntrans-117.81.7-166.1-56.3-56.3000114.4G243 G249 V250 F312 T338 Y342 N347 Y350 F351G243-Y247 PolarHBondContact O-N 3.15Å; Y247-G249 PolarHBondContact O-N 2.74Å; Y247-V250 WeakPolarHBondContact O-CB 3.49Å; Y247-V250 WeakPolarHBondContact O-CG2 3.28Å; Y247-V250 PolarHBondContact O-N 2.94Å; Y247-F312 HydrophobicContact CD2-CD2 4.27Å; Y247-F312 HydrophobicContact CD2-CE2 4.19Å; Y247-F312 HydrophobicContact CD2-CZ 4.41Å; Y247-F312 HydrophobicContact CG-CD2 4.26Å; Y247-F312 HydrophobicContact CG-CE2 4.48Å; Y247-T338 HydrophobicContact CD1-CG2 3.62Å; Y247-T338 HydrophobicContact CD2-CG2 4.42Å; Y247-T338 HydrophobicContact CE1-CG2 3.57Å; Y247-T338 HydrophobicContact CE2-CG2 4.38Å; Y247-T338 HydrophobicContact CG-CG2 4.07Å; Y247-Y342 HydrophobicContact CD1-CD2 4.13Å; Y247-Y342 HydrophobicContact CD1-CE2 4.01Å; Y247-Y342 HydrophobicContact CE1-CD2 4.01Å; Y247-Y342 HydrophobicContact CE1-CE2 4.3Å; Y247-N347 WeakPolarHBondContact CE1-OD1 3.3Å; Y247-N347 PolarHBondContact OH-OD1 3.15Å; Y247-Y350 HydrophobicContact CE2-CD1 4.05Å; Y247-Y350 HydrophobicContact CE2-CE1 4.31Å; Y247-Y350 HydrophobicContact CE2-CG 4.16Å; Y247-F351 HydrophobicContact CE2-CE2 4.42Å
248S87.2Confident87.2Confident26 Ų2625.2 Ų25.218%0.18213%0.127CC..THydrogen-bonded Turntrans-65.2126177.6-171.90000111.8L244 V250 F312L244-S248 VanDerWaalsContact O-CB 3.28Å; L244-S248 WeakPolarHBondContact O-CB 3.29Å; S248-V250 VanDerWaalsContact C-N 3.25Å; S248-V250 PolarHBondContact O-N 3.24Å; S248-F312 WeakPolarHBondContact CA-O 3.3Å; S248-F312 VanDerWaalsContact CB-O 3.26Å; S248-F312 WeakPolarHBondContact CB-O 3.44Å; S248-F312 PolarHBondContact OG-O 3.35Å
249G81.9Confident87Confident10 Ų1026.4 Ų26.410%0.10314%0.139CC..THydrogen-bonded Turntrans79.5-6.3-176.900000115.7Y247 F251 D313Y247-G249 PolarHBondContact O-N 2.74Å; G249-F251 VanDerWaalsContact C-N 3.33Å; G249-F251 PolarHBondContact O-N 2.71Å; G249-D313 WeakPolarHBondContact CA-OD1 3.49Å; G249-D313 PolarHBondContact N-OD1 3.06Å
250V84Confident86.4Confident14 Ų1428.9 Ų28.99%0.08515%0.154CC..THydrogen-bonded Turntrans-76.8-17.9-165.3178.30000113.4Y247 S248 T341 Y342Y247-V250 WeakPolarHBondContact O-CB 3.49Å; Y247-V250 WeakPolarHBondContact O-CG2 3.28Å; Y247-V250 PolarHBondContact O-N 2.94Å; S248-V250 VanDerWaalsContact C-N 3.25Å; S248-V250 PolarHBondContact O-N 3.24Å; V250-T341 HydrophobicContact CG1-CG2 3.66Å; V250-Y342 HydrophobicContact CG1-CD2 4.36Å; V250-Y342 HydrophobicContact CG1-CE2 3.76Å; V250-Y342 HydrophobicContact CG2-CE2 3.96Å; V250-Y342 VanDerWaalsContact CG2-OH 3.3Å; V250-Y342 WeakPolarHBondContact CG2-OH 3.18Å
251F88.1Confident85.4Confident2 Ų231.4 Ų31.41%0.00917%0.17CC..THydrogen-bonded Turntrans-98.41.7-177-56.8-34000114.8G249 V253 W302 P305 T310 F312 M337 T338G249-F251 VanDerWaalsContact C-N 3.33Å; G249-F251 PolarHBondContact O-N 2.71Å; F251-V253 VanDerWaalsContact C-N 3.32Å; F251-V253 PolarHBondContact O-N 3.09Å; F251-W302 WeakPolarHBondContact O-CZ3 3.4Å; F251-P305 HydrophobicContact CB-CG 4.25Å; F251-P305 HydrophobicContact CD2-CG 4.18Å; F251-P305 HydrophobicContact CG-CG 4.31Å; F251-T310 WeakPolarHBondContact CD2-O 3.43Å; F251-F312 AromaticContact CE2-CD2 3.92Å; F251-F312 HydrophobicContact CE2-CD2 3.92Å; F251-F312 HydrophobicContact CE2-CE2 4.13Å; F251-F312 HydrophobicContact CZ-CD2 4.3Å; F251-F312 HydrophobicContact CZ-CE2 4.29Å; F251-M337 HydrophobicContact CE1-CB 4.16Å; F251-T338 HydrophobicContact CE1-CG2 3.85Å; F251-T338 HydrophobicContact CZ-CG2 3.69Å
252H86.4Confident84.5Confident28 Ų2837 Ų3713%0.1320%0.204CC..SBendtrans-87.65.8-179.8-65.6-64.3000114.9G300 W302 E303 D313 Y1209H252-G300 CarbonylContact O-C 3.55Å; H252-G300 WeakPolarHBondContact O-CA 3.19Å; H252-W302 WeakPolarHBondContact CA-O 3.26Å; H252-W302 WeakPolarHBondContact CB-O 3.49Å; H252-W302 PolarHBondContact ND1-O 3.29Å; H252-W302 PolarHBondContact O-N 3.31Å; H252-W302 VanDerWaalsContact O-N 3.16Å; H252-E303 PolarHBondContact CE1-O 3.11Å; H252-E303 PolarHBondContact ND1-O 3.22Å; H252-D313 IonicContact CE1-OD2 3.13Å; H252-D313 IonicContact NE2-OD1 2.66Å; H252-D313 IonicContact NE2-OD2 2.73Å; H252-D313 PolarHBondContact NE2-OD2 2.72Å; H252-D313 VanDerWaalsContact NE2-OD2 3.08Å; H252-Y1209 HydrophobicContact CB-CE1 4.49Å; H252-Y1209 AromaticContact CD2-CD1 3.47Å; H252-Y1209 VanDerWaalsContact CD2-CD1 3.47Å; H252-Y1209 WeakPolarHBondContact CD2-CD1 3.46Å; H252-Y1209 AromaticContact CD2-CE1 3.09Å; H252-Y1209 WeakPolarHBondContact CD2-CE1 3.3Å; H252-Y1209 AromaticContact CD2-CZ 3.83Å; H252-Y1209 AromaticContact CG-CE1 3.93Å; H252-Y1209 AromaticContact NE2-CD1 3.55Å; H252-Y1209 AromaticContact NE2-CE1 3.57Å
253V85.3Confident83.8Confident36 Ų3641.9 Ų41.922%0.21823%0.226CC..  trans-114.4117.5-173.9-166.70000109.7F251 P276 C277 C298 K299F251-V253 VanDerWaalsContact C-N 3.32Å; F251-V253 PolarHBondContact O-N 3.09Å; V253-P276 VanDerWaalsContact O-CA 3.26Å; V253-P276 WeakPolarHBondContact O-CA 2.87Å; V253-C277 PolarHBondContact O-N 3.29Å; V253-C298 VanDerWaalsContact CG1-SG 3.51Å; V253-K299 CarbonylContact C-O 3.51Å; V253-K299 VanDerWaalsContact CA-O 3.26Å; V253-K299 WeakPolarHBondContact CA-O 3.19Å; V253-K299 WeakPolarHBondContact CG1-O 3.33Å
254T86.6Confident83.1Confident0 Ų045.5 Ų45.50%025%0.245CC..EExtended strand (participates in β ladder)trans-138.1177.1-178.9-161.70000112.1F256 L264 L274 V275 C277 C298 K299 W302T254-F256 HydrophobicContact CG2-CD2 4.12Å; T254-F256 HydrophobicContact CG2-CE2 3.66Å; T254-F256 HydrophobicContact CG2-CZ 4.36Å; T254-L264 HydrophobicContact CG2-CD2 3.65Å; T254-L274 HydrophobicContact CG2-CD2 4.2Å; T254-V275 WeakPolarHBondContact CB-O 3.47Å; T254-V275 PolarHBondContact OG1-O 2.96Å; T254-C277 WeakPolarHBondContact CA-SG 3.15Å; T254-C277 PolarHBondContact O-SG 2.91Å; T254-C277 VanDerWaalsContact O-SG 3.36Å; T254-C298 WeakPolarHBondContact O-CA 3.16Å; T254-K299 PolarHBondContact N-O 2.98Å; T254-K299 PolarHBondContact O-N 3.49Å; T254-K299 VanDerWaalsContact O-O 3.11Å; T254-W302 HydrophobicContact CG2-CB 3.73Å; T254-W302 HydrophobicContact CG2-CD2 4.27Å; T254-W302 HydrophobicContact CG2-CE3 4.45Å; T254-W302 HydrophobicContact CG2-CG 3.99Å
255C87.1Confident82.3Confident0 Ų046.3 Ų46.30%025%0.251CS..EExtended strand (participates in β ladder)trans-87.5112.6-177.8-59.70000110.8P265 I268 C292 Y296C255-P265 WeakPolarHBondContact O-CG 3.34Å; C255-I268 HydrophobicContact CB-CD1 3.83Å; C255-I268 HydrophobicContact CB-CG1 4.23Å; C255-I268 HydrophobicContact CB-CG2 4.24Å; C255-C292 WeakPolarHBondContact CA-SG 3.36Å; C255-C292 HydrophobicContact CB-CB 3.69Å; C255-C292 WeakPolarHBondContact CB-SG 2.99Å; C255-C292 WeakPolarHBondContact SG-CA 3.19Å; C255-C292 WeakPolarHBondContact SG-CB 3.19Å; C255-C292 CovalentContact SG-SG 2.03Å; C255-C292 PolarHBondContact SG-SG 3.48Å; C255-Y296 HydrophobicContact CB-CD1 4.22Å
256F84.4Confident81.3Confident4 Ų450.3 Ų50.32%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-94.4146.8171.8-73.7-104.9000109.9T254 E263 L264 Y296 I297 K299 G300T254-F256 HydrophobicContact CG2-CD2 4.12Å; T254-F256 HydrophobicContact CG2-CE2 3.66Å; T254-F256 HydrophobicContact CG2-CZ 4.36Å; F256-E263 VanDerWaalsContact CD1-O 3.29Å; F256-E263 WeakPolarHBondContact CD1-O 2.9Å; F256-L264 HydrophobicContact CE1-CD2 3.79Å; F256-L264 HydrophobicContact CE1-CG 3.91Å; F256-L264 HydrophobicContact CE2-CD2 4.02Å; F256-L264 HydrophobicContact CZ-CD2 3.41Å; F256-L264 VanDerWaalsContact CZ-CD2 3.41Å; F256-L264 HydrophobicContact CZ-CG 3.93Å; F256-Y296 CarbonylContact O-C 3.6Å; F256-Y296 WeakPolarHBondContact O-CA 2.92Å; F256-I297 HydrophobicContact CB-CG2 4.32Å; F256-I297 PolarHBondContact N-O 3.14Å; F256-I297 PolarHBondContact O-N 3.32Å; F256-K299 HydrophobicContact CD2-CB 3.67Å; F256-K299 HydrophobicContact CD2-CD 4.3Å; F256-K299 HydrophobicContact CE2-CB 4.13Å; F256-K299 HydrophobicContact CG-CB 4.39Å; F256-K299 HydrophobicContact CG-CD 4.38Å; F256-G300 WeakPolarHBondContact CE2-O 3.34Å; F256-G300 WeakPolarHBondContact CZ-O 3.33Å
257E83.8Confident80.4Confident86 Ų8651.9 Ų51.940%0.40229%0.287SS..EExtended strand (participates in β ladder)trans-67.6138.3172.8-156.2-171.4136.400109.8S259 N260 Y296E257-S259 WeakPolarHBondContact CG-OG 3.49Å; E257-S259 PolarHBondContact O-N 2.99Å; E257-S259 WeakPolarHBondContact OE1-CB 3.49Å; E257-S259 PolarHBondContact OE1-OG 3.36Å; E257-N260 CarbonylContact O-C 3.57Å; E257-N260 PolarHBondContact O-N 2.99Å; E257-Y296 HydrophobicContact CB-CD1 4.37Å; E257-Y296 HydrophobicContact CB-CE1 4.12Å; E257-Y296 HydrophobicContact CG-CE1 4.32Å; E257-Y296 HydrophobicContact CG-CE2 4.5Å
258Q84Confident79.7Confident143 Ų14351.4 Ų51.467%0.66829%0.285SS*.SBendtrans-68-18.5-176.9-172.1173.611.300113G295Q258-G295 WeakPolarHBondContact CB-O 3.43Å; Q258-G295 PolarHBondContact N-O 3.14Å
259S82.5Confident78.8Confident69 Ų6952.2 Ų52.248%0.48329%0.29SS..SBendtrans-73.6-51.1174.857.30000112.4E257 P261E257-S259 WeakPolarHBondContact CG-OG 3.49Å; E257-S259 PolarHBondContact O-N 2.99Å; E257-S259 WeakPolarHBondContact OE1-CB 3.49Å; E257-S259 PolarHBondContact OE1-OG 3.36Å; S259-P261 WeakPolarHBondContact O-CD 3.48Å
260N79.3Confident78Confident81 Ų8157.4 Ų57.443%0.43332%0.315SS..  trans-116.569.1-177.7-74.812.5000111.2E257 T262 E263E257-N260 CarbonylContact O-C 3.57Å; E257-N260 PolarHBondContact O-N 2.99Å; N260-T262 PolarHBondContact O-N 3.15Å; N260-E263 HydrophobicContact CB-CB 4.47Å; N260-E263 PolarHBondContact ND2-OE2 3.13Å; N260-E263 PolarHBondContact O-N 2.99Å; N260-E263 VanDerWaalsContact O-N 3.16Å
261P71.3Confident77.2Confident53 Ų5356.7 Ų56.734%0.34431%0.311SS..THydrogen-bonded Turntrans-71.619-174.932.7-39.3000114.8S259 K299S259-P261 WeakPolarHBondContact O-CD 3.48Å; P261-K299 PolarHBondContact O-NZ 2.73Å
262T73.1Confident76.1Confident120 Ų12060.7 Ų60.774%0.73634%0.337SS*.THydrogen-bonded Turntrans-122-15.9178.748.60000113.2N260N260-T262 PolarHBondContact O-N 3.15Å
263E74.4Confident75.3Confident120 Ų12060.2 Ų60.256%0.56134%0.34SS*.SBendtrans-110.6136.1-179.4-65.3177.7156.200109F256 N260F256-E263 VanDerWaalsContact CD1-O 3.29Å; F256-E263 WeakPolarHBondContact CD1-O 2.9Å; N260-E263 HydrophobicContact CB-CB 4.47Å; N260-E263 PolarHBondContact ND2-OE2 3.13Å; N260-E263 PolarHBondContact O-N 2.99Å; N260-E263 VanDerWaalsContact O-N 3.16Å
264L74.4Confident75Confident77 Ų7761 Ų6140%0.40334%0.343SS..  trans-71.7125173.9-79.8160.2000108.6T254 F256 L274 W302T254-L264 HydrophobicContact CG2-CD2 3.65Å; F256-L264 HydrophobicContact CE1-CD2 3.79Å; F256-L264 HydrophobicContact CE1-CG 3.91Å; F256-L264 HydrophobicContact CE2-CD2 4.02Å; F256-L264 HydrophobicContact CZ-CD2 3.41Å; F256-L264 VanDerWaalsContact CZ-CD2 3.41Å; F256-L264 HydrophobicContact CZ-CG 3.93Å; L264-L274 HydrophobicContact CB-CD1 4.48Å; L264-L274 HydrophobicContact CD2-CD1 4.24Å; L264-L274 HydrophobicContact CD2-CD2 4.16Å; L264-W302 HydrophobicContact CD2-CB 4.3Å; L264-W302 HydrophobicContact CD2-CG 4.41Å
265P73.6Confident74.8Confident17 Ų1761.1 Ų61.111%0.1134%0.343CS..  trans-68.9138.917728.7-33.3000110C255 F267 I268 L274 Y296C255-P265 WeakPolarHBondContact O-CG 3.34Å; P265-F267 PolarHBondContact O-N 2.77Å; P265-I268 HydrophobicContact CG-CG1 4.3Å; P265-L274 HydrophobicContact CG-CD2 4.37Å; P265-L274 WeakPolarHBondContact O-CD2 3.13Å; P265-Y296 HydrophobicContact CB-CE1 4.07Å; P265-Y296 HydrophobicContact CG-CD1 4.43Å; P265-Y296 HydrophobicContact CG-CE1 3.99Å
266S65.8Low74.8Confident99 Ų9961.1 Ų61.169%0.69234%0.343SS*.SBendtrans-66.2-24.8177.254.60000113.1
267F67.6Low74.7Confident94 Ų9461 Ų6141%0.41234%0.343SS..  trans-144.3142.9-178.2179.1-101.6000110.3P265 A271P265-F267 PolarHBondContact O-N 2.77Å; F267-A271 WeakPolarHBondContact CE2-O 2.9Å
268I73.5Confident74.5Confident0 Ų059.6 Ų59.60%034%0.337CS..BIsolated β-bridgetrans-115.2124.5173.1-61164.8000106.8C255 P265 D270 A271 L274 V275 P293C255-I268 HydrophobicContact CB-CD1 3.83Å; C255-I268 HydrophobicContact CB-CG1 4.23Å; C255-I268 HydrophobicContact CB-CG2 4.24Å; P265-I268 HydrophobicContact CG-CG1 4.3Å; I268-D270 PolarHBondContact O-N 3.49Å; I268-A271 HydrophobicContact CB-CB 4.33Å; I268-A271 PolarHBondContact O-N 3Å; I268-L274 HydrophobicContact CD1-CD2 4.1Å; I268-V275 HydrophobicContact CD1-CG2 4.07Å; I268-P293 HydrophobicContact CG2-CG 3.89Å
269P67Low73.9Confident43 Ų4356.2 Ų56.228%0.27933%0.327SS..THydrogen-bonded Turntrans-51.3140.2174.5-26.833.5000112.3A271 P293 Y296P269-A271 PolarHBondContact O-N 3.27Å; P269-P293 HydrophobicContact CB-CB 4.17Å; P269-P293 HydrophobicContact CB-CG 3.93Å; P269-P293 HydrophobicContact CG-CG 4.13Å; P269-Y296 VanDerWaalsContact CD-CZ 3.45Å; P269-Y296 WeakPolarHBondContact CD-OH 3.48Å; P269-Y296 HydrophobicContact CG-CE2 3.85Å
270D66.7Low72.9Confident119 Ų11957.8 Ų57.864%0.63633%0.334SS*.THydrogen-bonded Turntrans6414.5-173.6-49.7-38.3000115.7I268 E1359I268-D270 PolarHBondContact O-N 3.49Å; D270-E1359 WeakPolarHBondContact O-CB 3.36Å
271A67.1Low71.8Confident0 Ų059.3 Ų59.30%034%0.342CS..BIsolated β-bridgetrans-138.5149.4171.700000112.4F267 I268 P269 G273 V275 F290F267-A271 WeakPolarHBondContact CE2-O 2.9Å; I268-A271 HydrophobicContact CB-CB 4.33Å; I268-A271 PolarHBondContact O-N 3Å; P269-A271 PolarHBondContact O-N 3.27Å; A271-G273 PolarHBondContact O-N 3.27Å; A271-G273 VanDerWaalsContact O-N 3.07Å; A271-V275 HydrophobicContact CB-CG1 4.12Å; A271-V275 HydrophobicContact CB-CG2 3.93Å; A271-F290 HydrophobicContact CB-CZ 4.33Å
272P63.5Low71Confident85 Ų8561 Ų6155%0.55235%0.351SS*.SBendtrans-80.516.2-175.834.8-36000113.6E1359P272-E1359 WeakPolarHBondContact CD-O 3.38Å
273G71.3Confident69.9Low19 Ų1959.6 Ų59.620%0.19634%0.336CS..SBendtrans154.5-164.4-174.400000112.5A271 V275A271-G273 PolarHBondContact O-N 3.27Å; A271-G273 VanDerWaalsContact O-N 3.07Å; G273-V275 PolarHBondContact O-N 2.85Å
274L78Confident69.2Low51 Ų5158.7 Ų58.727%0.26734%0.339SS..  trans-67126.5176.2-70172000111.4T254 L264 P265 I268 W302T254-L274 HydrophobicContact CG2-CD2 4.2Å; L264-L274 HydrophobicContact CB-CD1 4.48Å; L264-L274 HydrophobicContact CD2-CD1 4.24Å; L264-L274 HydrophobicContact CD2-CD2 4.16Å; P265-L274 HydrophobicContact CG-CD2 4.37Å; P265-L274 WeakPolarHBondContact O-CD2 3.13Å; I268-L274 HydrophobicContact CD1-CD2 4.1Å; L274-W302 HydrophobicContact CB-CH2 4.36Å; L274-W302 HydrophobicContact CB-CZ2 3.72Å; L274-W302 WeakPolarHBondContact O-CH2 3.47Å
275V82.6Confident68.6Low3 Ų361 Ų612%0.01834%0.342CS..  trans-134.5150.8-176.1-67.50000111.5T254 I268 A271 G273 F290T254-V275 WeakPolarHBondContact CB-O 3.47Å; T254-V275 PolarHBondContact OG1-O 2.96Å; I268-V275 HydrophobicContact CD1-CG2 4.07Å; A271-V275 HydrophobicContact CB-CG1 4.12Å; A271-V275 HydrophobicContact CB-CG2 3.93Å; G273-V275 PolarHBondContact O-N 2.85Å; V275-F290 HydrophobicContact CG2-CD1 4.01Å; V275-F290 HydrophobicContact CG2-CE1 3.51Å; V275-F290 HydrophobicContact CG2-CZ 3.84Å
276P86.1Confident68.2Low0 Ų061.9 Ų61.90%035%0.348CS..BIsolated β-bridgetrans-73.6141.8178.830.7-34.6000111.7V253 W302 M337 R340V253-P276 VanDerWaalsContact O-CA 3.26Å; V253-P276 WeakPolarHBondContact O-CA 2.87Å; P276-W302 HydrophobicContact CB-CZ3 4.27Å; P276-M337 WeakPolarHBondContact CD-SD 3.49Å; P276-M337 HydrophobicContact CG-CB 4.07Å; P276-M337 HydrophobicContact CG-SD 4.11Å; P276-R340 HydrophobicContact CG-CB 4.16Å
277C83.7Confident68.2Low1 Ų160.6 Ų60.61%0.00734%0.337CS..  trans-128.1164-179.565.40000112.1V253 T254 F290 C298V253-C277 PolarHBondContact O-N 3.29Å; T254-C277 WeakPolarHBondContact CA-SG 3.15Å; T254-C277 PolarHBondContact O-SG 2.91Å; T254-C277 VanDerWaalsContact O-SG 3.36Å; C277-F290 HydrophobicContact CB-CD1 4.22Å; C277-C298 HydrophobicContact CB-CB 4.05Å; C277-C298 WeakPolarHBondContact CB-SG 3.24Å; C277-C298 PolarHBondContact O-SG 3Å; C277-C298 WeakPolarHBondContact SG-CA 3.27Å; C277-C298 WeakPolarHBondContact SG-CB 3.37Å; C277-C298 CovalentContact SG-SG 2.04Å; C277-C298 PolarHBondContact SG-SG 2.97Å
278Q78.5Confident68.3Low58 Ų5858 Ų5827%0.27134%0.337SS..  trans-105.2129.9173.1-176.36531.600110.3A289Q278-A289 HydrophobicContact CB-CB 4.36Å
279P71.6Confident68.4Low72 Ų7258.1 Ų58.147%0.46834%0.338SS..  trans-62.1149.8176.124-34.2000112.4D281P279-D281 PolarHBondContact O-N 2.93Å
280V61.1Low69.1Low102 Ų10257.4 Ų57.462%0.61833%0.33SS*.  trans-95.990.9-161-173.20000112.6I291V280-I291 HydrophobicContact CG2-CG2 4.18Å
281D57.4Low69.8Low113 Ų11355.4 Ų55.460%0.60432%0.319SS*.  trans-106.6125.3155.3-84.2-38.2000108.9P279 H283 T284P279-D281 PolarHBondContact O-N 2.93Å; D281-H283 PolarHBondContact O-N 3.42Å; D281-T284 VanDerWaalsContact CB-OG1 3.28Å; D281-T284 WeakPolarHBondContact CB-OG1 3.35Å
282T53.4Low70.6Confident87 Ų8756.1 Ų56.153%0.53432%0.324SS..THydrogen-bonded Turntrans-73.90.9-171.755.20000114.6E2194T282-E2194 WeakPolarHBondContact CB-OE1 3.5Å; T282-E2194 WeakPolarHBondContact CG2-OE1 3.15Å; T282-E2194 PolarHBondContact OG1-OE1 3.47Å
283H51.3Low71.4Confident92 Ų9253.3 Ų53.343%0.42631%0.306SS..THydrogen-bonded Turntrans-120.4-16.7-175.2-53.4-26.7000114.8D281 P2192 H2193 E2194D281-H283 PolarHBondContact O-N 3.42Å; H283-P2192 HydrophobicContact CB-CB 3.95Å; H283-P2192 HydrophobicContact CB-CG 4.29Å; H283-H2193 AromaticContact CE1-CE1 3.33Å; H283-H2193 PolarHBondContact CE1-CE1 2.81Å; H283-H2193 AromaticContact CE1-CG 3.97Å; H283-H2193 AromaticContact CE1-ND1 3.26Å; H283-H2193 PolarHBondContact CE1-ND1 2.96Å; H283-H2193 VanDerWaalsContact CE1-ND1 3.26Å; H283-H2193 AromaticContact NE2-CE1 3.02Å; H283-H2193 PolarHBondContact NE2-CE1 3Å; H283-H2193 AromaticContact NE2-ND1 3.47Å; H283-H2193 PolarHBondContact NE2-ND1 3.19Å; H283-H2193 AromaticContact NE2-NE2 3.73Å; H283-E2194 IonicContact CE1-OE1 3.77Å; H283-E2194 IonicContact CE1-OE2 3.47Å; H283-E2194 PolarHBondContact CE1-OE2 3.3Å
284T59.4Low71.9Confident101 Ų10157.6 Ų57.662%0.6234%0.339SS*.THydrogen-bonded Turntrans-107.1-3.3-177.953.60000113.2D281D281-T284 VanDerWaalsContact CB-OG1 3.28Å; D281-T284 WeakPolarHBondContact CB-OG1 3.35Å
285R61.1Low72.2Confident126 Ų12657 Ų5748%0.47535%0.345SS..PPolyproline II helixtrans-58.7124-173.3-177.9179.2177.2-149.60.9113.5A289R285-A289 PolarHBondContact NH2-O 3.09Å
286P64.6Low72.3Confident35 Ų3559.1 Ų59.123%0.22735%0.353CS..PPolyproline II helixtrans-68.7126.2165.526.8-30.8000110.8G288 A289P286-G288 PolarHBondContact O-N 2.93Å; P286-A289 HydrophobicContact CG-CB 3.95Å; P286-A289 PolarHBondContact O-N 3.27Å
287P66.4Low72.2Confident71 Ų7163.3 Ų63.346%0.46137%0.374SS..THydrogen-bonded Turntrans-71123.3-176.827.8-35.2000111.4
288G69.7Low72.2Confident40 Ų4064.1 Ų64.141%0.41238%0.38SS..THydrogen-bonded Turntrans106.2-4.9-175.800000114.6P286P286-G288 PolarHBondContact O-N 2.93Å
289A77Confident72.3Confident3 Ų364.5 Ų64.53%0.02538%0.38CS..  trans-73.8145.1170.200000112.2Q278 R285 P286 R340 T341Q278-A289 HydrophobicContact CB-CB 4.36Å; R285-A289 PolarHBondContact NH2-O 3.09Å; P286-A289 HydrophobicContact CG-CB 3.95Å; P286-A289 PolarHBondContact O-N 3.27Å; A289-R340 CarbonylContact C-O 3.57Å; A289-R340 VanDerWaalsContact CA-O 3.25Å; A289-R340 WeakPolarHBondContact CA-O 3.26Å; A289-T341 VanDerWaalsContact CB-O 3.22Å; A289-T341 WeakPolarHBondContact CB-O 3.29Å
290F81.4Confident72.4Confident28 Ų2862.4 Ų62.412%0.12337%0.372CS..  trans-66.6137.3179.3-172.8-102.2000111.1A271 V275 C277 R340A271-F290 HydrophobicContact CB-CZ 4.33Å; V275-F290 HydrophobicContact CG2-CD1 4.01Å; V275-F290 HydrophobicContact CG2-CE1 3.51Å; V275-F290 HydrophobicContact CG2-CZ 3.84Å; C277-F290 HydrophobicContact CB-CD1 4.22Å; F290-R340 HydrophobicContact CB-CB 4.08Å; F290-R340 HydrophobicContact CB-CG 4.24Å; F290-R340 PolarHBondContact N-O 3.28Å
291I80.6Confident73.1Confident77 Ų7762.8 Ų62.840%0.39536%0.363SS..  trans-116.8141170.1-49.6163000106.7V280V280-I291 HydrophobicContact CG2-CG2 4.18Å
292C83.4Confident74.3Confident15 Ų1558.4 Ų58.410%0.10134%0.338CS..PPolyproline II helixtrans-57.4144.1171.3-540000112.1C255C255-C292 WeakPolarHBondContact CA-SG 3.36Å; C255-C292 HydrophobicContact CB-CB 3.69Å; C255-C292 WeakPolarHBondContact CB-SG 2.99Å; C255-C292 WeakPolarHBondContact SG-CA 3.19Å; C255-C292 WeakPolarHBondContact SG-CB 3.19Å; C255-C292 CovalentContact SG-SG 2.03Å; C255-C292 PolarHBondContact SG-SG 3.48Å
293P82.1Confident75.7Confident26 Ų2659.6 Ų59.617%0.16934%0.338CS..PPolyproline II helixtrans-63.9163174.327.7-35.1000111.6I268 P269 G295 Y296I268-P293 HydrophobicContact CG2-CG 3.89Å; P269-P293 HydrophobicContact CB-CB 4.17Å; P269-P293 HydrophobicContact CB-CG 3.93Å; P269-P293 HydrophobicContact CG-CG 4.13Å; P293-G295 PolarHBondContact O-N 2.7Å; P293-Y296 HydrophobicContact CG-CD2 3.77Å; P293-Y296 HydrophobicContact CG-CE2 4.27Å; P293-Y296 HydrophobicContact CG-CG 4.18Å; P293-Y296 WeakPolarHBondContact O-CB 3.31Å; P293-Y296 PolarHBondContact O-N 2.99Å
294A81.1Confident77.3Confident109 Ų10955.4 Ų55.490%0.90132%0.319SS*.THydrogen-bonded Turntrans-59.3130.1-178.800000111.4
295G83.2Confident78.6Confident37 Ų3751.2 Ų51.238%0.38129%0.294SS..THydrogen-bonded Turntrans96-3.3-172.300000114.6Q258 P293Q258-G295 WeakPolarHBondContact CB-O 3.43Å; Q258-G295 PolarHBondContact N-O 3.14Å; P293-G295 PolarHBondContact O-N 2.7Å
296Y85Confident79.9Confident48 Ų4848 Ų4819%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-116.3145.1175.3-69.5-108.9000111.4C255 F256 E257 P265 P269 P293C255-Y296 HydrophobicContact CB-CD1 4.22Å; F256-Y296 CarbonylContact O-C 3.6Å; F256-Y296 WeakPolarHBondContact O-CA 2.92Å; E257-Y296 HydrophobicContact CB-CD1 4.37Å; E257-Y296 HydrophobicContact CB-CE1 4.12Å; E257-Y296 HydrophobicContact CG-CE1 4.32Å; E257-Y296 HydrophobicContact CG-CE2 4.5Å; P265-Y296 HydrophobicContact CB-CE1 4.07Å; P265-Y296 HydrophobicContact CG-CD1 4.43Å; P265-Y296 HydrophobicContact CG-CE1 3.99Å; P269-Y296 VanDerWaalsContact CD-CZ 3.45Å; P269-Y296 WeakPolarHBondContact CD-OH 3.48Å; P269-Y296 HydrophobicContact CG-CE2 3.85Å; P293-Y296 HydrophobicContact CG-CD2 3.77Å; P293-Y296 HydrophobicContact CG-CE2 4.27Å; P293-Y296 HydrophobicContact CG-CG 4.18Å; P293-Y296 WeakPolarHBondContact O-CB 3.31Å; P293-Y296 PolarHBondContact O-N 2.99Å
297I84.8Confident80.9Confident89 Ų8951.3 Ų51.346%0.45630%0.295SS..EExtended strand (participates in β ladder)trans-116.1131.9178.8-171.3167.9000110.8F256 K299F256-I297 HydrophobicContact CB-CG2 4.32Å; F256-I297 PolarHBondContact N-O 3.14Å; F256-I297 PolarHBondContact O-N 3.32Å; I297-K299 PolarHBondContact O-N 3.39Å
298C84.3Confident81.9Confident18 Ų1848.2 Ų48.212%0.12228%0.276CS..EExtended strand (participates in β ladder)trans-76.7117.3176.7-171.80000110V253 T254 C277V253-C298 VanDerWaalsContact CG1-SG 3.51Å; T254-C298 WeakPolarHBondContact O-CA 3.16Å; C277-C298 HydrophobicContact CB-CB 4.05Å; C277-C298 WeakPolarHBondContact CB-SG 3.24Å; C277-C298 PolarHBondContact O-SG 3Å; C277-C298 WeakPolarHBondContact SG-CA 3.27Å; C277-C298 WeakPolarHBondContact SG-CB 3.37Å; C277-C298 CovalentContact SG-SG 2.04Å; C277-C298 PolarHBondContact SG-SG 2.97Å
299K80.6Confident82.8Confident65 Ų6546.4 Ų46.428%0.28326%0.257SS..EExtended strand (participates in β ladder)trans-142.7156.7-169.9-157.7-166.8-174.9-143.90109.9V253 T254 F256 P261 I297 Y301V253-K299 CarbonylContact C-O 3.51Å; V253-K299 VanDerWaalsContact CA-O 3.26Å; V253-K299 WeakPolarHBondContact CA-O 3.19Å; V253-K299 WeakPolarHBondContact CG1-O 3.33Å; T254-K299 PolarHBondContact N-O 2.98Å; T254-K299 PolarHBondContact O-N 3.49Å; T254-K299 VanDerWaalsContact O-O 3.11Å; F256-K299 HydrophobicContact CD2-CB 3.67Å; F256-K299 HydrophobicContact CD2-CD 4.3Å; F256-K299 HydrophobicContact CE2-CB 4.13Å; F256-K299 HydrophobicContact CG-CB 4.39Å; F256-K299 HydrophobicContact CG-CD 4.38Å; P261-K299 PolarHBondContact O-NZ 2.73Å; I297-K299 PolarHBondContact O-N 3.39Å; K299-Y301 HydrophobicContact CD-CD2 3.91Å; K299-Y301 HydrophobicContact CD-CE2 4.15Å; K299-Y301 HydrophobicContact CG-CD2 4.1Å; K299-Y301 HydrophobicContact CG-CE2 4.28Å
300G73.7Confident83.5Confident28 Ų2846.5 Ų46.529%0.28926%0.257SS..SBendtrans-66.5-158.1166.900000112.5H252 F256H252-G300 CarbonylContact O-C 3.55Å; H252-G300 WeakPolarHBondContact O-CA 3.19Å; F256-G300 WeakPolarHBondContact CE2-O 3.34Å; F256-G300 WeakPolarHBondContact CZ-O 3.33Å
301Y75.7Confident83.9Confident110 Ų11045.2 Ų45.243%0.43125%0.252SS..  trans76.68.9179.3-48.6-85.9000116.6K299 Y1213K299-Y301 HydrophobicContact CD-CD2 3.91Å; K299-Y301 HydrophobicContact CD-CE2 4.15Å; K299-Y301 HydrophobicContact CG-CD2 4.1Å; K299-Y301 HydrophobicContact CG-CE2 4.28Å; Y301-Y1213 HydrophobicContact CD1-CE1 4.39Å; Y301-Y1213 HydrophobicContact CE1-CD1 4.08Å; Y301-Y1213 HydrophobicContact CE1-CE1 4.11Å
302W82.2Confident84.5Confident22 Ų2241.6 Ų41.68%0.08323%0.233CC..  trans-89.2135.5167.6-174.332.1000110.9F251 H252 T254 L264 L274 P276 G304 P305F251-W302 WeakPolarHBondContact O-CZ3 3.4Å; H252-W302 WeakPolarHBondContact CA-O 3.26Å; H252-W302 WeakPolarHBondContact CB-O 3.49Å; H252-W302 PolarHBondContact ND1-O 3.29Å; H252-W302 PolarHBondContact O-N 3.31Å; H252-W302 VanDerWaalsContact O-N 3.16Å; T254-W302 HydrophobicContact CG2-CB 3.73Å; T254-W302 HydrophobicContact CG2-CD2 4.27Å; T254-W302 HydrophobicContact CG2-CE3 4.45Å; T254-W302 HydrophobicContact CG2-CG 3.99Å; L264-W302 HydrophobicContact CD2-CB 4.3Å; L264-W302 HydrophobicContact CD2-CG 4.41Å; L274-W302 HydrophobicContact CB-CH2 4.36Å; L274-W302 HydrophobicContact CB-CZ2 3.72Å; L274-W302 WeakPolarHBondContact O-CH2 3.47Å; P276-W302 HydrophobicContact CB-CZ3 4.27Å; W302-G304 VanDerWaalsContact CE2-C 3.47Å; W302-G304 VanDerWaalsContact CZ2-C 3.48Å; W302-G304 PolarHBondContact O-N 3.34Å; W302-P305 HydrophobicContact CH2-CB 4.1Å; W302-P305 HydrophobicContact CH2-CG 4.46Å; W302-P305 HydrophobicContact CZ2-CB 4.38Å
303E82.1Confident84.8Confident112 Ų11241.6 Ų41.652%0.52323%0.232SC..  trans-63.5-24.2172.6-62.7-165.9135.800112.6H252 G308H252-E303 PolarHBondContact CE1-O 3.11Å; H252-E303 PolarHBondContact ND1-O 3.22Å; E303-G308 WeakPolarHBondContact O-CA 3.14Å
304G86.1Confident85.2Confident4 Ų442.8 Ų42.84%0.04124%0.237CC..  trans107.8172.6179.700000113.3W302 G308W302-G304 VanDerWaalsContact CE2-C 3.47Å; W302-G304 VanDerWaalsContact CZ2-C 3.48Å; W302-G304 PolarHBondContact O-N 3.34Å; G304-G308 PolarHBondContact O-N 3.16Å
305P86.4Confident85.7Confident13 Ų1339.3 Ų39.38%0.08420%0.203CC..THydrogen-bonded Turntrans-62.1148.6-179.326.4-34.1000111.4F251 W302 Y307 G308 T310F251-P305 HydrophobicContact CB-CG 4.25Å; F251-P305 HydrophobicContact CD2-CG 4.18Å; F251-P305 HydrophobicContact CG-CG 4.31Å; W302-P305 HydrophobicContact CH2-CB 4.1Å; W302-P305 HydrophobicContact CH2-CG 4.46Å; W302-P305 HydrophobicContact CZ2-CB 4.38Å; P305-Y307 PolarHBondContact O-N 3.34Å; P305-G308 PolarHBondContact O-N 3.36Å; P305-G308 VanDerWaalsContact O-N 3.14Å; P305-T310 PolarHBondContact O-OG1 3.26Å
306N87.3Confident86Confident58 Ų5838.6 Ų38.631%0.3120%0.195SC..THydrogen-bonded Turntrans51.752.6-179.4-54.5-47.3000112.3G308 I309 T310 Y681N306-G308 PolarHBondContact O-N 2.8Å; N306-I309 VanDerWaalsContact O-CB 3.26Å; N306-I309 WeakPolarHBondContact O-CB 3.32Å; N306-I309 WeakPolarHBondContact O-CD1 3.34Å; N306-I309 VanDerWaalsContact O-CG1 3.24Å; N306-I309 WeakPolarHBondContact O-CG1 3.33Å; N306-I309 PolarHBondContact O-N 2.91Å; N306-T310 HydrophobicContact CB-CG2 4.21Å; N306-T310 WeakPolarHBondContact ND2-CG2 3.25Å; N306-T310 PolarHBondContact ND2-OG1 2.92Å; N306-Y681 HydrophobicContact CB-CD1 4.22Å; N306-Y681 HydrophobicContact CB-CD2 3.83Å; N306-Y681 HydrophobicContact CB-CE1 4.14Å; N306-Y681 HydrophobicContact CB-CE2 3.74Å; N306-Y681 HydrophobicContact CB-CG 4.1Å; N306-Y681 VanDerWaalsContact CG-CE2 3.42Å
307Y86.9Confident86.3Confident104 Ų10437.6 Ų37.641%0.40819%0.192SC..THydrogen-bonded Turntrans55.334.7-178.5-43.3-74000113.6P305 I309 R685 V690P305-Y307 PolarHBondContact O-N 3.34Å; Y307-I309 VanDerWaalsContact C-N 3.3Å; Y307-I309 PolarHBondContact O-N 3.26Å; Y307-R685 PolarHBondContact OH-NH1 3.28Å; Y307-V690 WeakPolarHBondContact O-CG2 3.17Å
308G85.5Confident86.8Confident6 Ų633.4 Ų33.46%0.06217%0.17CC..THydrogen-bonded Turntrans73.511.2-177.200000115.5E303 G304 P305 N306E303-G308 WeakPolarHBondContact O-CA 3.14Å; G304-G308 PolarHBondContact O-N 3.16Å; P305-G308 PolarHBondContact O-N 3.36Å; P305-G308 VanDerWaalsContact O-N 3.14Å; N306-G308 PolarHBondContact O-N 2.8Å
309I89.9Confident87.2Confident3 Ų335.2 Ų35.22%0.01518%0.177CC..THydrogen-bonded Turntrans-81.8-40.9-176.2-60166.7000111.7N306 Y307 S311 L320 Y681 I684 V690N306-I309 VanDerWaalsContact O-CB 3.26Å; N306-I309 WeakPolarHBondContact O-CB 3.32Å; N306-I309 WeakPolarHBondContact O-CD1 3.34Å; N306-I309 VanDerWaalsContact O-CG1 3.24Å; N306-I309 WeakPolarHBondContact O-CG1 3.33Å; N306-I309 PolarHBondContact O-N 2.91Å; Y307-I309 VanDerWaalsContact C-N 3.3Å; Y307-I309 PolarHBondContact O-N 3.26Å; I309-S311 PolarHBondContact O-N 3.4Å; I309-S311 VanDerWaalsContact O-N 3.15Å; I309-L320 HydrophobicContact CG2-CD2 4.22Å; I309-Y681 HydrophobicContact CB-CD1 4.22Å; I309-Y681 HydrophobicContact CD1-CD1 4.07Å; I309-Y681 HydrophobicContact CD1-CG 4.39Å; I309-Y681 HydrophobicContact CG2-CD1 3.99Å; I309-Y681 HydrophobicContact CG2-CE1 4.26Å; I309-I684 HydrophobicContact CD1-CB 3.79Å; I309-I684 HydrophobicContact CD1-CD1 4.07Å; I309-I684 HydrophobicContact CD1-CG2 3.71Å; I309-I684 HydrophobicContact CG1-CD1 4.46Å; I309-I684 HydrophobicContact CG1-CG2 4.09Å; I309-I684 HydrophobicContact CG2-CD1 3.84Å; I309-V690 HydrophobicContact CG1-CG2 3.79Å
310T91Very high87.8Confident4 Ų432.7 Ų32.73%0.02517%0.167CC..SBendtrans-87.179-179.649.40000110.9F251 P305 N306 Y681F251-T310 WeakPolarHBondContact CD2-O 3.43Å; P305-T310 PolarHBondContact O-OG1 3.26Å; N306-T310 HydrophobicContact CB-CG2 4.21Å; N306-T310 WeakPolarHBondContact ND2-CG2 3.25Å; N306-T310 PolarHBondContact ND2-OG1 2.92Å; T310-Y681 HydrophobicContact CG2-CE1 3.71Å; T310-Y681 WeakPolarHBondContact CG2-OH 3.45Å
311S90.2Very high88.7Confident2 Ų231.4 Ų31.41%0.01415%0.153CC..  trans-140.5172.2-178.291.70000114.2I309 D313 Y317 A318 T321I309-S311 PolarHBondContact O-N 3.4Å; I309-S311 VanDerWaalsContact O-N 3.15Å; S311-D313 WeakPolarHBondContact CB-OD2 3.43Å; S311-D313 PolarHBondContact OG-N 3.44Å; S311-D313 PolarHBondContact OG-OD2 3.44Å; S311-Y317 CarbonylContact O-C 3.57Å; S311-Y317 WeakPolarHBondContact O-CB 3.5Å; S311-A318 PolarHBondContact O-N 3.15Å; S311-T321 PolarHBondContact N-OG1 3.06Å; S311-T321 PolarHBondContact O-OG1 3.01Å; S311-T321 VanDerWaalsContact O-OG1 3.11Å
312F92.6Very high89.6Confident0 Ų026.1 Ų26.10%013%0.133CC..  trans-11528.4175.8-63.7-87.6000111.5L244 Y247 S248 F251 A318 T321 V322 V334 Y350L244-F312 WeakPolarHBondContact CD1-O 3.5Å; Y247-F312 HydrophobicContact CD2-CD2 4.27Å; Y247-F312 HydrophobicContact CD2-CE2 4.19Å; Y247-F312 HydrophobicContact CD2-CZ 4.41Å; Y247-F312 HydrophobicContact CG-CD2 4.26Å; Y247-F312 HydrophobicContact CG-CE2 4.48Å; S248-F312 WeakPolarHBondContact CA-O 3.3Å; S248-F312 VanDerWaalsContact CB-O 3.26Å; S248-F312 WeakPolarHBondContact CB-O 3.44Å; S248-F312 PolarHBondContact OG-O 3.35Å; F251-F312 AromaticContact CE2-CD2 3.92Å; F251-F312 HydrophobicContact CE2-CD2 3.92Å; F251-F312 HydrophobicContact CE2-CE2 4.13Å; F251-F312 HydrophobicContact CZ-CD2 4.3Å; F251-F312 HydrophobicContact CZ-CE2 4.29Å; F312-A318 HydrophobicContact CD1-CB 3.85Å; F312-T321 HydrophobicContact CE1-CG2 4.37Å; F312-T321 HydrophobicContact CE2-CG2 4.01Å; F312-T321 HydrophobicContact CZ-CG2 3.75Å; F312-V322 HydrophobicContact CE1-CG2 4.08Å; F312-V334 HydrophobicContact CE2-CG1 3.91Å; F312-V334 HydrophobicContact CZ-CG1 4.25Å; F312-Y350 HydrophobicContact CZ-CE1 4.42Å
313D90.1Very high90.2Very high15 Ų1526.3 Ų26.38%0.0813%0.134CC..SBendtrans-80.2-22.9-168.9-60.3-36.5000113.8G249 H252 S311 Y1208 Y1209G249-D313 WeakPolarHBondContact CA-OD1 3.49Å; G249-D313 PolarHBondContact N-OD1 3.06Å; H252-D313 IonicContact CE1-OD2 3.13Å; H252-D313 IonicContact NE2-OD1 2.66Å; H252-D313 IonicContact NE2-OD2 2.73Å; H252-D313 PolarHBondContact NE2-OD2 2.72Å; H252-D313 VanDerWaalsContact NE2-OD2 3.08Å; S311-D313 WeakPolarHBondContact CB-OD2 3.43Å; S311-D313 PolarHBondContact OG-N 3.44Å; S311-D313 PolarHBondContact OG-OD2 3.44Å; D313-Y1208 CarbonylContact O-C 3.19Å; D313-Y1208 WeakPolarHBondContact O-CA 3.49Å; D313-Y1209 PolarHBondContact O-N 2.88Å
314N90.4Very high90.7Very high51 Ų5121.1 Ų21.127%0.27311%0.11SC..SBendtrans-145.2170.7166.468.246.6000109.5G316 Y317 A318N314-G316 PolarHBondContact O-N 3.15Å; N314-G316 VanDerWaalsContact OD1-CA 3.28Å; N314-G316 WeakPolarHBondContact OD1-CA 3.33Å; N314-G316 PolarHBondContact OD1-N 3.25Å; N314-Y317 WeakPolarHBondContact ND2-CD2 2.98Å; N314-Y317 WeakPolarHBondContact ND2-CE2 3.43Å; N314-Y317 PolarHBondContact O-N 3.04Å; N314-Y317 PolarHBondContact OD1-N 3.16Å; N314-A318 VanDerWaalsContact O-CB 3.25Å; N314-A318 WeakPolarHBondContact O-CB 3.38Å; N314-A318 PolarHBondContact O-N 3.22Å
315I92.1Very high91Very high37 Ų3720.9 Ų20.919%0.1911%0.108CC..Hα-helixtrans-59.2-28.9-179.5-170.561.8000113.5A240 I241 L244 M319 M1205A240-I315 HydrophobicContact CB-CD1 3.93Å; I241-I315 HydrophobicContact CG1-CD1 3.95Å; L244-I315 HydrophobicContact CD2-CB 4.33Å; I315-M319 HydrophobicContact CD1-CG 4.17Å; I315-M319 HydrophobicContact CD1-SD 4.4Å; I315-M319 HydrophobicContact CG1-CG 4.27Å; I315-M319 HydrophobicContact CG1-SD 4.04Å; I315-M319 VanDerWaalsContact O-CB 3.24Å; I315-M319 WeakPolarHBondContact O-CB 3.38Å; I315-M319 WeakPolarHBondContact O-CG 3.38Å; I315-M319 PolarHBondContact O-N 2.75Å; I315-M1205 HydrophobicContact CB-CB 4.2Å; I315-M1205 HydrophobicContact CD1-CG 4.11Å; I315-M1205 HydrophobicContact CG1-CB 4.02Å; I315-M1205 HydrophobicContact CG1-CG 3.96Å; I315-M1205 HydrophobicContact CG2-CB 4.28Å
316G90.1Very high91.3Very high22 Ų2220.7 Ų20.723%0.22711%0.106CC..Hα-helixtrans-69.5-53.1177.900000112.9N314 A318 M319 L320N314-G316 PolarHBondContact O-N 3.15Å; N314-G316 VanDerWaalsContact OD1-CA 3.28Å; N314-G316 WeakPolarHBondContact OD1-CA 3.33Å; N314-G316 PolarHBondContact OD1-N 3.25Å; G316-A318 VanDerWaalsContact C-N 3.34Å; G316-M319 PolarHBondContact O-N 3.35Å; G316-L320 PolarHBondContact O-N 3.18Å
317Y91.4Very high91.4Very high27 Ų2719.3 Ų19.311%0.10610%0.099CC..Hα-helixtrans-65.1-38.4175.2-61.4-57.1000111.4S311 N314 M319 L320 T321 V690 F695S311-Y317 CarbonylContact O-C 3.57Å; S311-Y317 WeakPolarHBondContact O-CB 3.5Å; N314-Y317 WeakPolarHBondContact ND2-CD2 2.98Å; N314-Y317 WeakPolarHBondContact ND2-CE2 3.43Å; N314-Y317 PolarHBondContact O-N 3.04Å; N314-Y317 PolarHBondContact OD1-N 3.16Å; Y317-M319 PolarHBondContact O-N 2.87Å; Y317-L320 PolarHBondContact O-N 2.76Å; Y317-T321 WeakPolarHBondContact O-CB 3.49Å; Y317-T321 PolarHBondContact O-N 2.89Å; Y317-T321 PolarHBondContact O-OG1 3.28Å; Y317-V690 HydrophobicContact CE2-CG1 4.4Å; Y317-V690 WeakPolarHBondContact OH-CG1 3.25Å; Y317-F695 AromaticContact CD1-CD2 3.82Å; Y317-F695 HydrophobicContact CD1-CD2 3.82Å; Y317-F695 AromaticContact CD1-CE2 3.73Å; Y317-F695 HydrophobicContact CD1-CE2 3.73Å; Y317-F695 HydrophobicContact CE1-CB 4.3Å; Y317-F695 AromaticContact CE1-CD2 3.3Å; Y317-F695 HydrophobicContact CE1-CD2 3.3Å; Y317-F695 AromaticContact CE1-CE2 3.7Å; Y317-F695 HydrophobicContact CE1-CE2 3.7Å; Y317-F695 AromaticContact CE1-CG 3.91Å; Y317-F695 HydrophobicContact CE1-CG 3.91Å
318A93.5Very high91.4Very high0 Ų017.4 Ų17.40%010%0.095CC..Hα-helixtrans-62.2-42.1173.800000112.3A240 S311 F312 N314 G316 V322A240-A318 HydrophobicContact CB-CB 3.94Å; S311-A318 PolarHBondContact O-N 3.15Å; F312-A318 HydrophobicContact CD1-CB 3.85Å; N314-A318 VanDerWaalsContact O-CB 3.25Å; N314-A318 WeakPolarHBondContact O-CB 3.38Å; N314-A318 PolarHBondContact O-N 3.22Å; G316-A318 VanDerWaalsContact C-N 3.34Å; A318-V322 VanDerWaalsContact O-CB 3.25Å; A318-V322 WeakPolarHBondContact O-CB 3.4Å; A318-V322 WeakPolarHBondContact O-CG2 3.43Å; A318-V322 PolarHBondContact O-N 3.46Å
319M93.1Very high91.6Very high56 Ų5618.5 Ų18.528%0.27610%0.099SC..Hα-helixtrans-67.8-36.4175.1-77.5-18061.600112.5L233 I236 A240 I315 G316 Y317 F323L233-M319 HydrophobicContact CD1-CE 3.75Å; I236-M319 HydrophobicContact CG2-CB 4.06Å; I236-M319 HydrophobicContact CG2-CE 4.26Å; I236-M319 HydrophobicContact CG2-CG 3.99Å; A240-M319 HydrophobicContact CB-CB 4.38Å; A240-M319 HydrophobicContact CB-CG 3.63Å; I315-M319 HydrophobicContact CD1-CG 4.17Å; I315-M319 HydrophobicContact CD1-SD 4.4Å; I315-M319 HydrophobicContact CG1-CG 4.27Å; I315-M319 HydrophobicContact CG1-SD 4.04Å; I315-M319 VanDerWaalsContact O-CB 3.24Å; I315-M319 WeakPolarHBondContact O-CB 3.38Å; I315-M319 WeakPolarHBondContact O-CG 3.38Å; I315-M319 PolarHBondContact O-N 2.75Å; G316-M319 PolarHBondContact O-N 3.35Å; Y317-M319 PolarHBondContact O-N 2.87Å; M319-F323 WeakPolarHBondContact O-CB 3.38Å; M319-F323 PolarHBondContact O-N 3.36Å
320L93.3Very high91.4Very high12 Ų1218.5 Ų18.56%0.06310%0.099CC..Hα-helixtrans-68.7-48.9177.2-174.362.1000111.6I309 G316 Y317 V322 F323 Q324 M680 F695 C698 V702I309-L320 HydrophobicContact CG2-CD2 4.22Å; G316-L320 PolarHBondContact O-N 3.18Å; Y317-L320 PolarHBondContact O-N 2.76Å; L320-V322 VanDerWaalsContact C-N 3.3Å; L320-V322 PolarHBondContact O-N 3.05Å; L320-F323 WeakPolarHBondContact O-CB 3.15Å; L320-F323 PolarHBondContact O-N 2.88Å; L320-F323 VanDerWaalsContact O-N 3.14Å; L320-Q324 PolarHBondContact O-N 3.39Å; L320-M680 HydrophobicContact CD1-CE 4.18Å; L320-M680 HydrophobicContact CD1-SD 3.82Å; L320-M680 HydrophobicContact CD2-CE 3.95Å; L320-M680 HydrophobicContact CD2-SD 3.98Å; L320-M680 HydrophobicContact CG-CE 4.15Å; L320-M680 HydrophobicContact CG-SD 4.3Å; L320-F695 HydrophobicContact CB-CE2 4.38Å; L320-F695 HydrophobicContact CD2-CD2 4.32Å; L320-F695 HydrophobicContact CD2-CE2 3.78Å; L320-C698 HydrophobicContact CD1-CB 4.44Å; L320-C698 HydrophobicContact CD2-CB 4.17Å; L320-V702 HydrophobicContact CD1-CG2 3.83Å
321T93.9Very high91.4Very high1 Ų119 Ų191%0.00610%0.1CC..Hα-helixtrans-60.7-39176.4-54.40000111.2S311 F312 Y317 Q324 C325 V334S311-T321 PolarHBondContact N-OG1 3.06Å; S311-T321 PolarHBondContact O-OG1 3.01Å; S311-T321 VanDerWaalsContact O-OG1 3.11Å; F312-T321 HydrophobicContact CE1-CG2 4.37Å; F312-T321 HydrophobicContact CE2-CG2 4.01Å; F312-T321 HydrophobicContact CZ-CG2 3.75Å; Y317-T321 WeakPolarHBondContact O-CB 3.49Å; Y317-T321 PolarHBondContact O-N 2.89Å; Y317-T321 PolarHBondContact O-OG1 3.28Å; T321-Q324 PolarHBondContact O-N 2.8Å; T321-C325 PolarHBondContact O-N 3.36Å; T321-C325 PolarHBondContact O-SG 3.45Å; T321-V334 HydrophobicContact CG2-CG1 3.98Å; T321-V334 HydrophobicContact CG2-CG2 4.09Å
322V94.7Very high91.3Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-69.7-37.5174.3169.10000112.3I236 F239 A240 F312 A318 L320 C325 I326 Y350 L354I236-V322 HydrophobicContact CB-CG1 4.26Å; I236-V322 HydrophobicContact CG1-CG1 4.27Å; I236-V322 HydrophobicContact CG2-CB 4.44Å; I236-V322 HydrophobicContact CG2-CG1 4.05Å; F239-V322 HydrophobicContact CB-CG1 3.84Å; F239-V322 HydrophobicContact CB-CG2 4.23Å; A240-V322 HydrophobicContact CB-CG2 4.35Å; F312-V322 HydrophobicContact CE1-CG2 4.08Å; A318-V322 VanDerWaalsContact O-CB 3.25Å; A318-V322 WeakPolarHBondContact O-CB 3.4Å; A318-V322 WeakPolarHBondContact O-CG2 3.43Å; A318-V322 PolarHBondContact O-N 3.46Å; L320-V322 VanDerWaalsContact C-N 3.3Å; L320-V322 PolarHBondContact O-N 3.05Å; V322-C325 PolarHBondContact O-N 2.81Å; V322-I326 HydrophobicContact CG1-CD1 4.28Å; V322-I326 WeakPolarHBondContact O-CG1 3.27Å; V322-I326 PolarHBondContact O-N 3.37Å; V322-Y350 VanDerWaalsContact CG2-OH 3.28Å; V322-Y350 WeakPolarHBondContact CG2-OH 3.39Å; V322-L354 HydrophobicContact CG1-CD1 3.95Å; V322-L354 HydrophobicContact CG1-CD2 4.43Å
323F92.8Very high91.1Very high25 Ų2523.4 Ų23.411%0.1112%0.124CC..Hα-helixtrans-63.1-42.9173.3174.6-97.1000111.5I236 M319 L320 I326 T327 W676 V702 V705I236-F323 HydrophobicContact CD1-CB 4.39Å; I236-F323 HydrophobicContact CD1-CD2 4.03Å; M319-F323 WeakPolarHBondContact O-CB 3.38Å; M319-F323 PolarHBondContact O-N 3.36Å; L320-F323 WeakPolarHBondContact O-CB 3.15Å; L320-F323 PolarHBondContact O-N 2.88Å; L320-F323 VanDerWaalsContact O-N 3.14Å; F323-I326 CarbonylContact O-C 3.54Å; F323-I326 WeakPolarHBondContact O-CA 3.34Å; F323-I326 WeakPolarHBondContact O-CB 3.22Å; F323-I326 PolarHBondContact O-N 2.73Å; F323-I326 VanDerWaalsContact O-N 3.1Å; F323-T327 HydrophobicContact CE1-CG2 4.18Å; F323-T327 HydrophobicContact CZ-CG2 4.18Å; F323-T327 PolarHBondContact O-N 3.45Å; F323-W676 AromaticContact CD1-CH2 3.71Å; F323-W676 HydrophobicContact CD1-CH2 3.71Å; F323-W676 HydrophobicContact CD1-CZ2 4.02Å; F323-W676 AromaticContact CE1-CH2 3.56Å; F323-W676 HydrophobicContact CE1-CH2 3.56Å; F323-W676 AromaticContact CE1-CZ2 3.81Å; F323-W676 HydrophobicContact CE1-CZ2 3.81Å; F323-W676 HydrophobicContact CE1-CZ3 4.38Å; F323-V702 HydrophobicContact CD1-CG1 4.42Å; F323-V702 HydrophobicContact CD1-CG2 4.09Å; F323-V702 HydrophobicContact CE1-CB 4.26Å; F323-V702 HydrophobicContact CE1-CG1 4Å; F323-V702 HydrophobicContact CE1-CG2 3.96Å; F323-V702 HydrophobicContact CE2-CG1 4.3Å; F323-V702 HydrophobicContact CZ-CG1 3.93Å; F323-V705 HydrophobicContact CZ-CG1 4.36Å
324Q93.7Very high91.1Very high3 Ų323 Ų231%0.01412%0.123CC..Hα-helixtrans-59.4-47.2173.3171.4179.1-11.400112.4L320 T321 I326 T327 M328 E329 W676 N677 Y681L320-Q324 PolarHBondContact O-N 3.39Å; T321-Q324 PolarHBondContact O-N 2.8Å; Q324-I326 PolarHBondContact O-N 3.33Å; Q324-T327 WeakPolarHBondContact CA-OG1 3.18Å; Q324-T327 PolarHBondContact O-N 2.78Å; Q324-T327 VanDerWaalsContact O-N 3.12Å; Q324-T327 PolarHBondContact O-OG1 3.15Å; Q324-M328 PolarHBondContact O-N 2.89Å; Q324-E329 WeakPolarHBondContact CG-O 3.22Å; Q324-E329 PolarHBondContact NE2-O 2.85Å; Q324-E329 VanDerWaalsContact NE2-O 3.1Å; Q324-E329 PolarHBondContact O-N 2.93Å; Q324-W676 HydrophobicContact CB-CZ2 4.29Å; Q324-N677 HydrophobicContact CG-CB 4.41Å; Q324-N677 PolarHBondContact NE2-ND2 3.47Å; Q324-Y681 PolarHBondContact NE2-OH 2.72Å; Q324-Y681 PolarHBondContact OE1-OH 2.75Å
325C92.8Very high91.1Very high0 Ų020.7 Ų20.70%011%0.11CC..Hα-helixtrans-58.3-36173-69.70000112.1T321 V322 M328 W331 L354 I355T321-C325 PolarHBondContact O-N 3.36Å; T321-C325 PolarHBondContact O-SG 3.45Å; V322-C325 PolarHBondContact O-N 2.81Å; C325-M328 PolarHBondContact O-N 3.37Å; C325-M328 VanDerWaalsContact O-N 3.14Å; C325-W331 HydrophobicContact CB-CB 4.29Å; C325-L354 HydrophobicContact CB-CD2 3.64Å; C325-L354 HydrophobicContact CB-CG 4.33Å; C325-I355 WeakPolarHBondContact O-CD1 3.36Å
326I91.5Very high90.8Very high9 Ų920.2 Ų20.25%0.04611%0.106CC..Hα-helixtrans-72.2-27.6177.7-74.2-178.3000113.1I236 V322 F323 Q324 M328 L354 G358 A359 L362I236-I326 HydrophobicContact CD1-CD1 4.48Å; I236-I326 HydrophobicContact CG1-CD1 3.64Å; V322-I326 HydrophobicContact CG1-CD1 4.28Å; V322-I326 WeakPolarHBondContact O-CG1 3.27Å; V322-I326 PolarHBondContact O-N 3.37Å; F323-I326 CarbonylContact O-C 3.54Å; F323-I326 WeakPolarHBondContact O-CA 3.34Å; F323-I326 WeakPolarHBondContact O-CB 3.22Å; F323-I326 PolarHBondContact O-N 2.73Å; F323-I326 VanDerWaalsContact O-N 3.1Å; Q324-I326 PolarHBondContact O-N 3.33Å; I326-M328 PolarHBondContact O-N 2.74Å; I326-L354 HydrophobicContact CD1-CD1 3.88Å; I326-L354 HydrophobicContact CG1-CD1 3.7Å; I326-L354 HydrophobicContact CG1-CG 4.43Å; I326-G358 WeakPolarHBondContact CG2-O 3.15Å; I326-A359 WeakPolarHBondContact O-CB 3.33Å; I326-L362 HydrophobicContact CG2-CD2 4.38Å
327T89.8Confident90.7Very high28 Ų2820.9 Ų20.917%0.17210%0.104CC..Hα-helixtrans-72-11.4169.447.30000113.3F323 Q324 W676 V705F323-T327 HydrophobicContact CE1-CG2 4.18Å; F323-T327 HydrophobicContact CZ-CG2 4.18Å; F323-T327 PolarHBondContact O-N 3.45Å; Q324-T327 WeakPolarHBondContact CA-OG1 3.18Å; Q324-T327 PolarHBondContact O-N 2.78Å; Q324-T327 VanDerWaalsContact O-N 3.12Å; Q324-T327 PolarHBondContact O-OG1 3.15Å; T327-W676 HydrophobicContact CG2-CZ2 4.15Å; T327-W676 WeakPolarHBondContact OG1-CZ2 3.46Å; T327-W676 PolarHBondContact OG1-NE1 2.9Å; T327-V705 HydrophobicContact CG2-CG1 3.86Å
328M87.9Confident90.6Very high65 Ų6519.6 Ų19.632%0.3210%0.099SC..THydrogen-bonded Turntrans69.632.7-175.6-47.7-179.8-5900113.9Q324 C325 I326 I355 A359 F360Q324-M328 PolarHBondContact O-N 2.89Å; C325-M328 PolarHBondContact O-N 3.37Å; C325-M328 VanDerWaalsContact O-N 3.14Å; I326-M328 PolarHBondContact O-N 2.74Å; M328-I355 HydrophobicContact CG-CG2 4.44Å; M328-I355 HydrophobicContact SD-CG2 4.37Å; M328-A359 HydrophobicContact CG-CB 3.7Å; M328-A359 HydrophobicContact SD-CB 3.7Å; M328-F360 HydrophobicContact SD-CD1 4.3Å; M328-F360 HydrophobicContact SD-CE1 3.75Å
329E88.8Confident90.3Very high29 Ų2919.9 Ų19.914%0.13610%0.1CC..SBendtrans-124.6124.3-172.3-65.7-8613600110.6Q324 W331 G673 E674 D675Q324-E329 WeakPolarHBondContact CG-O 3.22Å; Q324-E329 PolarHBondContact NE2-O 2.85Å; Q324-E329 VanDerWaalsContact NE2-O 3.1Å; Q324-E329 PolarHBondContact O-N 2.93Å; E329-W331 PolarHBondContact O-N 2.7Å; E329-G673 WeakPolarHBondContact CG-O 3.24Å; E329-G673 VanDerWaalsContact OE2-O 3.08Å; E329-E674 WeakPolarHBondContact OE2-CA 3.42Å; E329-D675 PolarHBondContact OE2-N 2.85Å
330G85.8Confident89.9Confident2 Ų218 Ų182%0.0219%0.09CC..SBendtrans55.323.2-169.500000113.8D333 V334 E1383G330-D333 PolarHBondContact O-N 3.16Å; G330-V334 PolarHBondContact O-N 3.3Å; G330-E1383 WeakPolarHBondContact CA-OE1 3.21Å; G330-E1383 VanDerWaalsContact N-CD 3.31Å; G330-E1383 PolarHBondContact N-OE1 3.07Å; G330-E1383 PolarHBondContact N-OE2 3.07Å
331W91.1Very high89.4Confident15 Ų1517.7 Ų17.76%0.0579%0.088CC..Hα-helixtrans-80.1-30.6-172.779.8-85.8000111.2C325 E329 D333 L335 F351 I352 I355 L1378 E1383C325-W331 HydrophobicContact CB-CB 4.29Å; E329-W331 PolarHBondContact O-N 2.7Å; W331-D333 VanDerWaalsContact C-N 3.29Å; W331-L335 HydrophobicContact CZ3-CD2 4.01Å; W331-L335 PolarHBondContact O-N 2.9Å; W331-F351 HydrophobicContact CZ3-CB 4.41Å; W331-I352 HydrophobicContact CH2-CD1 4.04Å; W331-I352 HydrophobicContact CZ3-CD1 4.14Å; W331-I355 HydrophobicContact CB-CD1 4.26Å; W331-I355 HydrophobicContact CD2-CD1 3.84Å; W331-I355 HydrophobicContact CD2-CG1 4.01Å; W331-I355 HydrophobicContact CE3-CD1 4.01Å; W331-I355 HydrophobicContact CE3-CG1 3.85Å; W331-I355 HydrophobicContact CG-CD1 3.93Å; W331-I355 HydrophobicContact CZ3-CG1 4.11Å; W331-L1378 HydrophobicContact CH2-CD1 4.49Å; W331-E1383 PolarHBondContact N-OE2 3.08Å
332T88.7Confident88.7Confident11 Ų1122.5 Ų22.57%0.06711%0.107CC..Hα-helixtrans-63.2-36.817145.60000111.3L335 Y336 E1383T332-L335 CarbonylContact O-C 3.57Å; T332-L335 WeakPolarHBondContact O-CB 3.37Å; T332-L335 PolarHBondContact O-N 3.49Å; T332-Y336 WeakPolarHBondContact O-CB 3.42Å; T332-Y336 VanDerWaalsContact O-CD2 3.22Å; T332-Y336 WeakPolarHBondContact O-CD2 3.49Å; T332-Y336 PolarHBondContact O-N 3.26Å; T332-E1383 HydrophobicContact CG2-CB 3.95Å; T332-E1383 PolarHBondContact OG1-OE2 2.78Å
333D86.9Confident88Confident83 Ų8322.6 Ų22.644%0.44411%0.108SC..Hα-helixtrans-67-45.3-179.7-64-32.2000112.1G330 W331 L335 Y336 M337G330-D333 PolarHBondContact O-N 3.16Å; W331-D333 VanDerWaalsContact C-N 3.29Å; D333-L335 PolarHBondContact O-N 3.13Å; D333-Y336 CarbonylContact O-C 3.58Å; D333-Y336 PolarHBondContact O-N 2.79Å; D333-M337 VanDerWaalsContact O-CG 3.31Å; D333-M337 WeakPolarHBondContact O-CG 3.09Å; D333-M337 PolarHBondContact O-N 3.28Å
334V90.4Very high87.4Confident8 Ų822.7 Ų22.75%0.04811%0.112CC..Hα-helixtrans-62.8-35.2175.9-170.60000110.7F312 T321 G330 T338 F351F312-V334 HydrophobicContact CE2-CG1 3.91Å; F312-V334 HydrophobicContact CZ-CG1 4.25Å; T321-V334 HydrophobicContact CG2-CG1 3.98Å; T321-V334 HydrophobicContact CG2-CG2 4.09Å; G330-V334 PolarHBondContact O-N 3.3Å; V334-T338 WeakPolarHBondContact O-CG2 3.09Å; V334-T338 PolarHBondContact O-N 3.49Å; V334-T338 VanDerWaalsContact O-N 3.08Å; V334-T338 PolarHBondContact O-OG1 2.9Å; V334-F351 HydrophobicContact CB-CE1 4.07Å; V334-F351 HydrophobicContact CB-CZ 4.36Å; V334-F351 HydrophobicContact CG1-CE1 3.79Å; V334-F351 HydrophobicContact CG1-CZ 3.78Å
335L90.1Very high86.7Confident2 Ų230 Ų301%0.0114%0.139CC..Hα-helixtrans-65.3-43.2170.2171.463.1000112.1W331 T332 D333 T338 N339 N347 F351 L1378W331-L335 HydrophobicContact CZ3-CD2 4.01Å; W331-L335 PolarHBondContact O-N 2.9Å; T332-L335 CarbonylContact O-C 3.57Å; T332-L335 WeakPolarHBondContact O-CB 3.37Å; T332-L335 PolarHBondContact O-N 3.49Å; D333-L335 PolarHBondContact O-N 3.13Å; L335-T338 PolarHBondContact O-OG1 3.11Å; L335-N339 WeakPolarHBondContact O-CB 3.49Å; L335-N339 PolarHBondContact O-N 3.41Å; L335-N339 PolarHBondContact O-ND2 3.39Å; L335-N339 PolarHBondContact O-OD1 3.1Å; L335-N347 HydrophobicContact CD1-CB 3.93Å; L335-F351 HydrophobicContact CB-CD1 4.47Å; L335-F351 HydrophobicContact CB-CD2 4.1Å; L335-F351 HydrophobicContact CB-CE2 4.45Å; L335-F351 HydrophobicContact CB-CG 4.13Å; L335-F351 HydrophobicContact CD1-CB 4.39Å; L335-F351 HydrophobicContact CD1-CD2 3.64Å; L335-F351 HydrophobicContact CD1-CE2 4.3Å; L335-F351 HydrophobicContact CD1-CG 4.22Å; L335-F351 HydrophobicContact CG-CD2 4.44Å; L335-L1378 HydrophobicContact CD2-CD1 4.02Å; L335-L1378 HydrophobicContact CD2-CD2 4.3Å
336Y87.2Confident86.2Confident26 Ų2637.2 Ų37.210%0.10217%0.171CC..Hα-helixtrans-69.4-38.2179.4-61.6-30000112.3T332 D333 N339 R340 Y1367 L1378T332-Y336 WeakPolarHBondContact O-CB 3.42Å; T332-Y336 VanDerWaalsContact O-CD2 3.22Å; T332-Y336 WeakPolarHBondContact O-CD2 3.49Å; T332-Y336 PolarHBondContact O-N 3.26Å; D333-Y336 CarbonylContact O-C 3.58Å; D333-Y336 PolarHBondContact O-N 2.79Å; Y336-N339 WeakPolarHBondContact O-CB 3.03Å; Y336-N339 PolarHBondContact O-N 2.74Å; Y336-R340 PolarHBondContact O-N 3.18Å; Y336-Y1367 VanDerWaalsContact CD1-CB 3.49Å; Y336-Y1367 HydrophobicContact CD1-CG 4.19Å; Y336-L1378 HydrophobicContact CE1-CD2 4.27Å
337M87.5Confident86Confident37 Ų3737.2 Ų37.218%0.18217%0.171CC..Hα-helixtrans-66-43.3174.4-63.6-49.3176.400111.7F251 P276 D333 N339 R340 T341F251-M337 HydrophobicContact CE1-CB 4.16Å; P276-M337 WeakPolarHBondContact CD-SD 3.49Å; P276-M337 HydrophobicContact CG-CB 4.07Å; P276-M337 HydrophobicContact CG-SD 4.11Å; D333-M337 VanDerWaalsContact O-CG 3.31Å; D333-M337 WeakPolarHBondContact O-CG 3.09Å; D333-M337 PolarHBondContact O-N 3.28Å; M337-N339 VanDerWaalsContact C-N 3.3Å; M337-N339 PolarHBondContact O-N 3.12Å; M337-R340 PolarHBondContact O-N 3.38Å; M337-T341 PolarHBondContact O-N 3.17Å; M337-T341 PolarHBondContact O-OG1 3.42Å
338T89.2Confident85.9Confident0 Ų042.4 Ų42.40%019%0.188CC..Hα-helixtrans-66-31.3172.854.40000112.8Y247 F251 V334 L335 Y342 N347 F351Y247-T338 HydrophobicContact CD1-CG2 3.62Å; Y247-T338 HydrophobicContact CD2-CG2 4.42Å; Y247-T338 HydrophobicContact CE1-CG2 3.57Å; Y247-T338 HydrophobicContact CE2-CG2 4.38Å; Y247-T338 HydrophobicContact CG-CG2 4.07Å; F251-T338 HydrophobicContact CE1-CG2 3.85Å; F251-T338 HydrophobicContact CZ-CG2 3.69Å; V334-T338 WeakPolarHBondContact O-CG2 3.09Å; V334-T338 PolarHBondContact O-N 3.49Å; V334-T338 VanDerWaalsContact O-N 3.08Å; V334-T338 PolarHBondContact O-OG1 2.9Å; L335-T338 PolarHBondContact O-OG1 3.11Å; T338-Y342 PolarHBondContact O-N 3.46Å; T338-N347 PolarHBondContact O-ND2 2.9Å; T338-F351 HydrophobicContact CG2-CE2 4.21Å; T338-F351 HydrophobicContact CG2-CZ 4.19Å; T338-F351 WeakPolarHBondContact OG1-CE2 3.34Å
339N86.8Confident85.8Confident5 Ų543.7 Ų43.73%0.02719%0.194CC..Hα-helixtrans-68.9-34.2172.5-70.2-19.5000112.5L335 Y336 M337 G343 S344 N347 Y1367L335-N339 WeakPolarHBondContact O-CB 3.49Å; L335-N339 PolarHBondContact O-N 3.41Å; L335-N339 PolarHBondContact O-ND2 3.39Å; L335-N339 PolarHBondContact O-OD1 3.1Å; Y336-N339 WeakPolarHBondContact O-CB 3.03Å; Y336-N339 PolarHBondContact O-N 2.74Å; M337-N339 VanDerWaalsContact C-N 3.3Å; M337-N339 PolarHBondContact O-N 3.12Å; N339-G343 WeakPolarHBondContact O-CA 3.24Å; N339-G343 PolarHBondContact O-N 2.79Å; N339-S344 WeakPolarHBondContact OD1-CA 3.47Å; N339-N347 WeakPolarHBondContact CA-ND2 3.23Å; N339-N347 PolarHBondContact N-ND2 3.4Å; N339-N347 WeakPolarHBondContact OD1-CB 3.32Å; N339-N347 PolarHBondContact OD1-ND2 3.14Å; N339-Y1367 HydrophobicContact CB-CD1 3.84Å; N339-Y1367 HydrophobicContact CB-CE1 3.73Å; N339-Y1367 HydrophobicContact CB-CG 4.48Å
340R84.4Confident85.9Confident18 Ų1843 Ų437%0.06819%0.191CC..Hα-helixtrans-64.5-41.9173.7-79.4179.5163.7143.1-3.7111.8P276 A289 F290 Y336 M337 E1359 Y1367P276-R340 HydrophobicContact CG-CB 4.16Å; A289-R340 CarbonylContact C-O 3.57Å; A289-R340 VanDerWaalsContact CA-O 3.25Å; A289-R340 WeakPolarHBondContact CA-O 3.26Å; F290-R340 HydrophobicContact CB-CB 4.08Å; F290-R340 HydrophobicContact CB-CG 4.24Å; F290-R340 PolarHBondContact N-O 3.28Å; Y336-R340 PolarHBondContact O-N 3.18Å; M337-R340 PolarHBondContact O-N 3.38Å; R340-E1359 IonicContact NH2-OE2 3.27Å; R340-E1359 PolarHBondContact NH2-OE2 3.33Å; R340-Y1367 HydrophobicContact CG-CE2 3.56Å; R340-Y1367 WeakPolarHBondContact CG-OH 3.31Å
341T82.8Confident86.1Confident4 Ų443 Ų433%0.02519%0.19CC..Hα-helixtrans-79.4-49179.3-28.60000114.2V250 A289 M337V250-T341 HydrophobicContact CG1-CG2 3.66Å; A289-T341 VanDerWaalsContact CB-O 3.22Å; A289-T341 WeakPolarHBondContact CB-O 3.29Å; M337-T341 PolarHBondContact O-N 3.17Å; M337-T341 PolarHBondContact O-OG1 3.42Å
342Y80.4Confident85.9Confident103 Ų10345 Ų4540%0.40420%0.202SC..Hα-helixtrans-103.5-5-172.4-71.7-49.8000115.5F246 Y247 V250 T338F246-Y342 WeakPolarHBondContact O-CE2 3.44Å; Y247-Y342 HydrophobicContact CD1-CD2 4.13Å; Y247-Y342 HydrophobicContact CD1-CE2 4.01Å; Y247-Y342 HydrophobicContact CE1-CD2 4.01Å; Y247-Y342 HydrophobicContact CE1-CE2 4.3Å; V250-Y342 HydrophobicContact CG1-CD2 4.36Å; V250-Y342 HydrophobicContact CG1-CE2 3.76Å; V250-Y342 HydrophobicContact CG2-CE2 3.96Å; V250-Y342 VanDerWaalsContact CG2-OH 3.3Å; V250-Y342 WeakPolarHBondContact CG2-OH 3.18Å; T338-Y342 PolarHBondContact O-N 3.46Å
343G80Confident85.8Confident2 Ų246.8 Ų46.82%0.02121%0.213CC..  trans78.8149.1-17300000113.1N339 R345 N347N339-G343 WeakPolarHBondContact O-CA 3.24Å; N339-G343 PolarHBondContact O-N 2.79Å; G343-R345 PolarHBondContact O-N 3.2Å; G343-N347 PolarHBondContact O-ND2 3.05Å
344S79.7Confident86Confident26 Ų2642.9 Ų42.918%0.18219%0.192CC..THydrogen-bonded Turntrans-68.20.8-170.156.80000116.8N339 F346 Y1375N339-S344 WeakPolarHBondContact OD1-CA 3.47Å; S344-F346 PolarHBondContact O-N 2.93Å; S344-Y1375 PolarHBondContact OG-OH 3.01Å
345R79.6Confident85.9Confident157 Ų15743 Ų4359%0.59219%0.193SC*.THydrogen-bonded Turntrans-65.2-35.7-170.2-71.9-174.6172-170.2-2.1114.7G343 W348G343-R345 PolarHBondContact O-N 3.2Å; R345-W348 PolarHBondContact O-NE1 3.15Å
346F82.6Confident85.5Confident152 Ų15245.8 Ų45.867%0.66721%0.21SC*.THydrogen-bonded Turntrans-127.6-22.8-168.8-62.3-62.8000115.5S344 W348 I349S344-F346 PolarHBondContact O-N 2.93Å; F346-W348 VanDerWaalsContact C-N 3.27Å; F346-W348 PolarHBondContact O-N 3.5Å; F346-I349 HydrophobicContact CD1-CD1 4.04Å; F346-I349 VanDerWaalsContact O-CB 3.26Å; F346-I349 WeakPolarHBondContact O-CB 3.34Å; F346-I349 WeakPolarHBondContact O-CG1 3.21Å; F346-I349 PolarHBondContact O-N 3.39Å
347N87.4Confident85.2Confident8 Ų848.3 Ų48.34%0.04322%0.224CC..THydrogen-bonded Turntrans-60.3-33.8-173.3-61.9-40.7000113.5Y247 L335 T338 N339 G343 I349 Y350 F351Y247-N347 WeakPolarHBondContact CE1-OD1 3.3Å; Y247-N347 PolarHBondContact OH-OD1 3.15Å; L335-N347 HydrophobicContact CD1-CB 3.93Å; T338-N347 PolarHBondContact O-ND2 2.9Å; N339-N347 WeakPolarHBondContact CA-ND2 3.23Å; N339-N347 PolarHBondContact N-ND2 3.4Å; N339-N347 WeakPolarHBondContact OD1-CB 3.32Å; N339-N347 PolarHBondContact OD1-ND2 3.14Å; G343-N347 PolarHBondContact O-ND2 3.05Å; N347-I349 PolarHBondContact O-N 3.06Å; N347-Y350 WeakPolarHBondContact O-CA 3.43Å; N347-Y350 WeakPolarHBondContact O-CB 3.2Å; N347-Y350 PolarHBondContact O-N 3.01Å; N347-F351 HydrophobicContact CB-CD2 4.34Å; N347-F351 HydrophobicContact CB-CE2 4.36Å; N347-F351 WeakPolarHBondContact O-CD2 3.22Å; N347-F351 PolarHBondContact O-N 3.03Å; N347-F351 VanDerWaalsContact O-N 3.17Å
348W85.7Confident84.8Confident138 Ų13846.8 Ų46.852%0.52322%0.217SC..Hα-helixtrans-57.4-23.4175.768-90.8000113.4R345 F346 Y350 I352 P353R345-W348 PolarHBondContact O-NE1 3.15Å; F346-W348 VanDerWaalsContact C-N 3.27Å; F346-W348 PolarHBondContact O-N 3.5Å; W348-Y350 VanDerWaalsContact C-N 3.26Å; W348-Y350 PolarHBondContact O-N 3.44Å; W348-I352 HydrophobicContact CB-CG1 4.21Å; W348-I352 VanDerWaalsContact O-CB 3.31Å; W348-I352 WeakPolarHBondContact O-CB 3.09Å; W348-I352 WeakPolarHBondContact O-CG1 3.33Å; W348-I352 PolarHBondContact O-N 3.25Å; W348-P353 WeakPolarHBondContact O-CD 3.44Å
349I87.2Confident84.5Confident91 Ų9146.9 Ų46.947%0.46722%0.218SC..Hα-helixtrans-71.4-21.3175.4-53.7176.7000111.5F346 N347 P353F346-I349 HydrophobicContact CD1-CD1 4.04Å; F346-I349 VanDerWaalsContact O-CB 3.26Å; F346-I349 WeakPolarHBondContact O-CB 3.34Å; F346-I349 WeakPolarHBondContact O-CG1 3.21Å; F346-I349 PolarHBondContact O-N 3.39Å; N347-I349 PolarHBondContact O-N 3.06Å; I349-P353 VanDerWaalsContact O-CD 3.27Å; I349-P353 WeakPolarHBondContact O-CD 3.16Å; I349-P353 VanDerWaalsContact O-CG 3.25Å; I349-P353 WeakPolarHBondContact O-CG 3.09Å
350Y90.3Very high84.3Confident16 Ų1649.8 Ų49.86%0.06323%0.231CC..Hα-helixtrans-86.3-56.3169.5179.2-96.6000110.9F239 V242 Y247 F312 V322 N347 W348 L354F239-Y350 HydrophobicContact CB-CE2 4.4Å; F239-Y350 HydrophobicContact CD1-CD2 4.22Å; F239-Y350 AromaticContact CD1-CE2 3.88Å; F239-Y350 HydrophobicContact CD1-CE2 3.88Å; F239-Y350 WeakPolarHBondContact O-CE2 3.36Å; F239-Y350 PolarHBondContact O-OH 3.34Å; V242-Y350 HydrophobicContact CB-CE2 4.09Å; V242-Y350 HydrophobicContact CG1-CD2 3.82Å; V242-Y350 HydrophobicContact CG1-CE2 3.77Å; Y247-Y350 HydrophobicContact CE2-CD1 4.05Å; Y247-Y350 HydrophobicContact CE2-CE1 4.31Å; Y247-Y350 HydrophobicContact CE2-CG 4.16Å; F312-Y350 HydrophobicContact CZ-CE1 4.42Å; V322-Y350 VanDerWaalsContact CG2-OH 3.28Å; V322-Y350 WeakPolarHBondContact CG2-OH 3.39Å; N347-Y350 WeakPolarHBondContact O-CA 3.43Å; N347-Y350 WeakPolarHBondContact O-CB 3.2Å; N347-Y350 PolarHBondContact O-N 3.01Å; W348-Y350 VanDerWaalsContact C-N 3.26Å; W348-Y350 PolarHBondContact O-N 3.44Å; Y350-L354 HydrophobicContact CE1-CD2 4.03Å; Y350-L354 WeakPolarHBondContact O-CB 3.19Å; Y350-L354 PolarHBondContact O-N 3.22Å; Y350-L354 VanDerWaalsContact O-N 3.15Å
351F90.9Very high84Confident0 Ų050 Ų500%023%0.234CC..Hα-helixtrans-70.9-42.8-170.5-67.7-82.9000114Y247 W331 V334 L335 T338 N347 L354 I355Y247-F351 HydrophobicContact CE2-CE2 4.42Å; W331-F351 HydrophobicContact CZ3-CB 4.41Å; V334-F351 HydrophobicContact CB-CE1 4.07Å; V334-F351 HydrophobicContact CB-CZ 4.36Å; V334-F351 HydrophobicContact CG1-CE1 3.79Å; V334-F351 HydrophobicContact CG1-CZ 3.78Å; L335-F351 HydrophobicContact CB-CD1 4.47Å; L335-F351 HydrophobicContact CB-CD2 4.1Å; L335-F351 HydrophobicContact CB-CE2 4.45Å; L335-F351 HydrophobicContact CB-CG 4.13Å; L335-F351 HydrophobicContact CD1-CB 4.39Å; L335-F351 HydrophobicContact CD1-CD2 3.64Å; L335-F351 HydrophobicContact CD1-CE2 4.3Å; L335-F351 HydrophobicContact CD1-CG 4.22Å; L335-F351 HydrophobicContact CG-CD2 4.44Å; T338-F351 HydrophobicContact CG2-CE2 4.21Å; T338-F351 HydrophobicContact CG2-CZ 4.19Å; T338-F351 WeakPolarHBondContact OG1-CE2 3.34Å; N347-F351 HydrophobicContact CB-CD2 4.34Å; N347-F351 HydrophobicContact CB-CE2 4.36Å; N347-F351 WeakPolarHBondContact O-CD2 3.22Å; N347-F351 PolarHBondContact O-N 3.03Å; N347-F351 VanDerWaalsContact O-N 3.17Å; F351-L354 WeakPolarHBondContact O-CB 3.37Å; F351-L354 PolarHBondContact O-N 3.39Å; F351-L354 VanDerWaalsContact O-N 3.13Å; F351-I355 WeakPolarHBondContact O-CG1 3.29Å; F351-I355 PolarHBondContact O-N 2.92Å
352I87.2Confident83.8Confident58 Ų5850.2 Ų50.230%0.29723%0.234SC..Hα-helixtrans-66.7-44.2-177-57.7-61.6000111.8W331 W348 L354 I355 V356W331-I352 HydrophobicContact CH2-CD1 4.04Å; W331-I352 HydrophobicContact CZ3-CD1 4.14Å; W348-I352 HydrophobicContact CB-CG1 4.21Å; W348-I352 VanDerWaalsContact O-CB 3.31Å; W348-I352 WeakPolarHBondContact O-CB 3.09Å; W348-I352 WeakPolarHBondContact O-CG1 3.33Å; W348-I352 PolarHBondContact O-N 3.25Å; I352-L354 VanDerWaalsContact C-N 3.3Å; I352-L354 PolarHBondContact O-N 2.83Å; I352-I355 PolarHBondContact O-N 3.03Å; I352-V356 WeakPolarHBondContact O-CG2 3.33Å; I352-V356 PolarHBondContact O-N 3.49Å
353P85.8Confident83.7Confident49 Ų4947.6 Ų47.632%0.31823%0.227SC..Hα-helixtrans-63.6-31.9170.3-2739.6000113.7W348 I349 V356 I357W348-P353 WeakPolarHBondContact O-CD 3.44Å; I349-P353 VanDerWaalsContact O-CD 3.27Å; I349-P353 WeakPolarHBondContact O-CD 3.16Å; I349-P353 VanDerWaalsContact O-CG 3.25Å; I349-P353 WeakPolarHBondContact O-CG 3.09Å; P353-V356 PolarHBondContact O-N 3.48Å; P353-I357 HydrophobicContact CB-CD1 4.4Å; P353-I357 WeakPolarHBondContact O-CB 3.18Å; P353-I357 VanDerWaalsContact O-CG1 3.28Å; P353-I357 WeakPolarHBondContact O-CG1 3.44Å; P353-I357 PolarHBondContact O-N 3.33Å
354L90.4Very high83.6Confident0 Ų047.9 Ų47.90%023%0.228CC..Hα-helixtrans-62.6-45.5174.117458.4000111.7F239 V322 C325 I326 Y350 F351 I352 G358F239-L354 HydrophobicContact CB-CD1 3.99Å; F239-L354 HydrophobicContact CD1-CB 4.03Å; F239-L354 HydrophobicContact CD1-CD1 4.09Å; F239-L354 HydrophobicContact CD2-CD1 3.72Å; F239-L354 HydrophobicContact CE1-CB 3.91Å; F239-L354 HydrophobicContact CE1-CD1 4.5Å; F239-L354 HydrophobicContact CE2-CD1 4.17Å; F239-L354 HydrophobicContact CG-CB 4.49Å; F239-L354 HydrophobicContact CG-CD1 3.69Å; F239-L354 HydrophobicContact CZ-CB 4.26Å; V322-L354 HydrophobicContact CG1-CD1 3.95Å; V322-L354 HydrophobicContact CG1-CD2 4.43Å; C325-L354 HydrophobicContact CB-CD2 3.64Å; C325-L354 HydrophobicContact CB-CG 4.33Å; I326-L354 HydrophobicContact CD1-CD1 3.88Å; I326-L354 HydrophobicContact CG1-CD1 3.7Å; I326-L354 HydrophobicContact CG1-CG 4.43Å; Y350-L354 HydrophobicContact CE1-CD2 4.03Å; Y350-L354 WeakPolarHBondContact O-CB 3.19Å; Y350-L354 PolarHBondContact O-N 3.22Å; Y350-L354 VanDerWaalsContact O-N 3.15Å; F351-L354 WeakPolarHBondContact O-CB 3.37Å; F351-L354 PolarHBondContact O-N 3.39Å; F351-L354 VanDerWaalsContact O-N 3.13Å; I352-L354 VanDerWaalsContact C-N 3.3Å; I352-L354 PolarHBondContact O-N 2.83Å; L354-G358 WeakPolarHBondContact O-CA 3.24Å; L354-G358 PolarHBondContact O-N 2.89Å
355I88.2Confident83.6Confident12 Ų1247.3 Ų47.36%0.06222%0.222CC..Hα-helixtrans-65.7-45.1175.5-56.9-54.4000111.3C325 M328 W331 F351 I352 I357 A359 F360C325-I355 WeakPolarHBondContact O-CD1 3.36Å; M328-I355 HydrophobicContact CG-CG2 4.44Å; M328-I355 HydrophobicContact SD-CG2 4.37Å; W331-I355 HydrophobicContact CB-CD1 4.26Å; W331-I355 HydrophobicContact CD2-CD1 3.84Å; W331-I355 HydrophobicContact CD2-CG1 4.01Å; W331-I355 HydrophobicContact CE3-CD1 4.01Å; W331-I355 HydrophobicContact CE3-CG1 3.85Å; W331-I355 HydrophobicContact CG-CD1 3.93Å; W331-I355 HydrophobicContact CZ3-CG1 4.11Å; F351-I355 WeakPolarHBondContact O-CG1 3.29Å; F351-I355 PolarHBondContact O-N 2.92Å; I352-I355 PolarHBondContact O-N 3.03Å; I355-I357 PolarHBondContact O-N 2.81Å; I355-A359 HydrophobicContact CG2-CB 4.33Å; I355-A359 WeakPolarHBondContact O-CA 3.06Å; I355-A359 WeakPolarHBondContact O-CB 3.25Å; I355-A359 PolarHBondContact O-N 2.93Å; I355-F360 HydrophobicContact CG2-CE1 4.31Å; I355-F360 HydrophobicContact CG2-CE2 4.21Å; I355-F360 HydrophobicContact CG2-CZ 4.02Å; I355-F360 PolarHBondContact O-N 3.39Å; I355-F360 VanDerWaalsContact O-N 3.13Å
356V81.8Confident83.6Confident60 Ų6040.2 Ų40.236%0.36420%0.197SC..Iπ-helixtrans-66.8-40.1-177173.60000112.6I352 P353 F360 L361I352-V356 WeakPolarHBondContact O-CG2 3.33Å; I352-V356 PolarHBondContact O-N 3.49Å; P353-V356 PolarHBondContact O-N 3.48Å; V356-F360 HydrophobicContact CG2-CD2 4.16Å; V356-F360 HydrophobicContact CG2-CE2 4.44Å; V356-L361 WeakPolarHBondContact O-CB 3.11Å; V356-L361 PolarHBondContact O-N 2.86Å
357I80.9Confident83.3Confident79 Ų7933.8 Ų33.841%0.40517%0.169SC..Iπ-helixtrans-88.9-32.8-178.1-61.9173.5000111.5F239 P353 I355 L361F239-I357 HydrophobicContact CE2-CG2 4.43Å; F239-I357 HydrophobicContact CZ-CD1 4.48Å; P353-I357 HydrophobicContact CB-CD1 4.4Å; P353-I357 WeakPolarHBondContact O-CB 3.18Å; P353-I357 VanDerWaalsContact O-CG1 3.28Å; P353-I357 WeakPolarHBondContact O-CG1 3.44Å; P353-I357 PolarHBondContact O-N 3.33Å; I355-I357 PolarHBondContact O-N 2.81Å; I357-L361 HydrophobicContact CB-CD2 4.41Å; I357-L361 HydrophobicContact CG2-CD2 3.86Å; I357-L361 WeakPolarHBondContact O-CB 3.46Å; I357-L361 WeakPolarHBondContact O-CD2 3.43Å
358G79.9Confident82.9Confident4 Ų433.5 Ų33.54%0.04117%0.168CC..Iπ-helixtrans-87.4-44.1-176.500000113.8I326 L354 L362I326-G358 WeakPolarHBondContact CG2-O 3.15Å; L354-G358 WeakPolarHBondContact O-CA 3.24Å; L354-G358 PolarHBondContact O-N 2.89Å; G358-L362 WeakPolarHBondContact O-CB 3.41Å; G358-L362 WeakPolarHBondContact O-CD2 3.46Å
359A82.6Confident82.5Confident2 Ų227.7 Ų27.72%0.01715%0.148CC..Iπ-helixtrans-97.3-62.8-178.200000112I326 M328 I355 L362 I363I326-A359 WeakPolarHBondContact O-CB 3.33Å; M328-A359 HydrophobicContact CG-CB 3.7Å; M328-A359 HydrophobicContact SD-CB 3.7Å; I355-A359 HydrophobicContact CG2-CB 4.33Å; I355-A359 WeakPolarHBondContact O-CA 3.06Å; I355-A359 WeakPolarHBondContact O-CB 3.25Å; I355-A359 PolarHBondContact O-N 2.93Å; A359-L362 WeakPolarHBondContact O-CB 3.3Å; A359-L362 PolarHBondContact O-N 3.01Å; A359-I363 WeakPolarHBondContact O-CG1 3.49Å; A359-I363 PolarHBondContact O-N 3.39Å
360F81.7Confident82Confident66 Ų6623.4 Ų23.429%0.28913%0.126SC..Iπ-helixtrans-65.4-49.7-172.1-60.2-24.7000112.6M328 I355 V356 L362 I363 N364 M1426 F1430M328-F360 HydrophobicContact SD-CD1 4.3Å; M328-F360 HydrophobicContact SD-CE1 3.75Å; I355-F360 HydrophobicContact CG2-CE1 4.31Å; I355-F360 HydrophobicContact CG2-CE2 4.21Å; I355-F360 HydrophobicContact CG2-CZ 4.02Å; I355-F360 PolarHBondContact O-N 3.39Å; I355-F360 VanDerWaalsContact O-N 3.13Å; V356-F360 HydrophobicContact CG2-CD2 4.16Å; V356-F360 HydrophobicContact CG2-CE2 4.44Å; F360-L362 PolarHBondContact O-N 3.31Å; F360-I363 PolarHBondContact O-N 3.13Å; F360-N364 WeakPolarHBondContact O-CB 3.35Å; F360-N364 PolarHBondContact O-N 2.77Å; F360-N364 PolarHBondContact O-ND2 2.93Å; F360-M1426 HydrophobicContact CD1-CE 3.91Å; F360-M1426 HydrophobicContact CD2-CE 3.56Å; F360-M1426 HydrophobicContact CE1-CE 3.93Å; F360-M1426 HydrophobicContact CE2-CE 3.58Å; F360-M1426 HydrophobicContact CG-CE 3.74Å; F360-M1426 HydrophobicContact CZ-CE 3.77Å; F360-F1430 HydrophobicContact CB-CE1 4.27Å; F360-F1430 HydrophobicContact CB-CZ 4.01Å; F360-F1430 HydrophobicContact CD1-CZ 4.18Å; F360-F1430 HydrophobicContact CG-CZ 4.27Å
361L78.5Confident81.2Confident24 Ų2423.2 Ų23.213%0.12613%0.127CC..Hα-helixtrans-57-37.5174.116563.5000112.3V356 I357 N364 L365 F1323V356-L361 WeakPolarHBondContact O-CB 3.11Å; V356-L361 PolarHBondContact O-N 2.86Å; I357-L361 HydrophobicContact CB-CD2 4.41Å; I357-L361 HydrophobicContact CG2-CD2 3.86Å; I357-L361 WeakPolarHBondContact O-CB 3.46Å; I357-L361 WeakPolarHBondContact O-CD2 3.43Å; L361-N364 WeakPolarHBondContact O-CB 3.28Å; L361-L365 VanDerWaalsContact O-CB 3.3Å; L361-L365 WeakPolarHBondContact O-CB 3.39Å; L361-L365 PolarHBondContact O-N 3.3Å; L361-F1323 HydrophobicContact CD1-CB 4.38Å; L361-F1323 HydrophobicContact CD1-CD1 3.29Å; L361-F1323 HydrophobicContact CD1-CD2 3.66Å; L361-F1323 HydrophobicContact CD1-CE1 3.31Å; L361-F1323 HydrophobicContact CD1-CE2 3.66Å; L361-F1323 HydrophobicContact CD1-CG 3.47Å; L361-F1323 VanDerWaalsContact CD1-CG 3.47Å; L361-F1323 HydrophobicContact CD1-CZ 3.48Å; L361-F1323 VanDerWaalsContact CD1-CZ 3.48Å
362L78.7Confident80.5Confident8 Ų823.2 Ų23.24%0.04213%0.127CC..Hα-helixtrans-68.9-51.2179.3174.550.2000112.2I228 V232 I326 G358 A359 F360 N364 L365 V366 Y710I228-L362 HydrophobicContact CG2-CD1 3.4Å; I228-L362 VanDerWaalsContact CG2-CD1 3.4Å; V232-L362 HydrophobicContact CB-CD2 4.37Å; V232-L362 HydrophobicContact CG1-CD2 3.88Å; V232-L362 HydrophobicContact CG2-CD1 3.25Å; V232-L362 HydrophobicContact CG2-CD2 3.48Å; V232-L362 VanDerWaalsContact CG2-CD2 3.48Å; V232-L362 HydrophobicContact CG2-CG 3.93Å; I326-L362 HydrophobicContact CG2-CD2 4.38Å; G358-L362 WeakPolarHBondContact O-CB 3.41Å; G358-L362 WeakPolarHBondContact O-CD2 3.46Å; A359-L362 WeakPolarHBondContact O-CB 3.3Å; A359-L362 PolarHBondContact O-N 3.01Å; F360-L362 PolarHBondContact O-N 3.31Å; L362-N364 VanDerWaalsContact C-N 3.27Å; L362-N364 PolarHBondContact O-N 3.47Å; L362-L365 PolarHBondContact O-N 2.98Å; L362-V366 HydrophobicContact CD1-CG2 3.79Å; L362-V366 WeakPolarHBondContact O-CG2 3.39Å; L362-V366 PolarHBondContact O-N 2.96Å; L362-Y710 WeakPolarHBondContact CD2-OH 3.36Å; L362-Y710 HydrophobicContact CG-CE1 4.49Å
363I78.9Confident80Confident47 Ų4722.7 Ų22.724%0.24112%0.123CC..Hα-helixtrans-56.2-45.6177.8-68.2164.9000109.9A359 F360 L365 V366 L367 F1430A359-I363 WeakPolarHBondContact O-CG1 3.49Å; A359-I363 PolarHBondContact O-N 3.39Å; F360-I363 PolarHBondContact O-N 3.13Å; I363-L365 PolarHBondContact O-N 3.21Å; I363-V366 PolarHBondContact O-N 3.06Å; I363-L367 HydrophobicContact CG2-CD1 3.69Å; I363-L367 HydrophobicContact CG2-CG 4.29Å; I363-L367 WeakPolarHBondContact O-CB 3.41Å; I363-L367 WeakPolarHBondContact O-CG 3.38Å; I363-L367 PolarHBondContact O-N 3.34Å; I363-F1430 HydrophobicContact CB-CE2 4.28Å; I363-F1430 HydrophobicContact CG2-CD2 4.13Å; I363-F1430 HydrophobicContact CG2-CE2 3.78Å
364N77.1Confident79.4Confident8 Ų821.7 Ų21.74%0.04311%0.114CC..Hα-helixtrans-53-50.4172.4-87.1-74.7000113.5F360 L361 L362 L367 G368 F1323 F1430F360-N364 WeakPolarHBondContact O-CB 3.35Å; F360-N364 PolarHBondContact O-N 2.77Å; F360-N364 PolarHBondContact O-ND2 2.93Å; L361-N364 WeakPolarHBondContact O-CB 3.28Å; L362-N364 VanDerWaalsContact C-N 3.27Å; L362-N364 PolarHBondContact O-N 3.47Å; N364-L367 PolarHBondContact O-N 3.2Å; N364-G368 PolarHBondContact O-N 3.37Å; N364-F1323 HydrophobicContact CB-CE2 3.65Å; N364-F1323 HydrophobicContact CB-CZ 3.51Å; N364-F1430 WeakPolarHBondContact ND2-CD1 3.46Å; N364-F1430 WeakPolarHBondContact ND2-CE1 3.24Å; N364-F1430 WeakPolarHBondContact OD1-CA 3.45Å; N364-F1430 WeakPolarHBondContact OD1-CB 3.34Å; N364-F1430 WeakPolarHBondContact OD1-CD1 3.31Å; N364-F1430 VanDerWaalsContact OD1-CG 3.27Å; N364-F1430 WeakPolarHBondContact OD1-CG 3.33Å; N364-F1430 PolarHBondContact OD1-O 3.49Å
365L80.3Confident78.6Confident14 Ų1423 Ų237%0.07313%0.125CC..Hα-helixtrans-67.7-39.8-174.1-173.470.1000111.8I228 L231 L361 L362 I363 G368 V369 L1319 F1323I228-L365 HydrophobicContact CB-CD2 4.33Å; I228-L365 HydrophobicContact CD1-CD2 4.23Å; I228-L365 HydrophobicContact CD1-CG 3.88Å; I228-L365 HydrophobicContact CG1-CD2 3.88Å; I228-L365 HydrophobicContact CG1-CG 4.04Å; I228-L365 HydrophobicContact CG2-CD2 3.85Å; I228-L365 HydrophobicContact CG2-CG 4.48Å; L231-L365 HydrophobicContact CD2-CD2 3.89Å; L361-L365 VanDerWaalsContact O-CB 3.3Å; L361-L365 WeakPolarHBondContact O-CB 3.39Å; L361-L365 PolarHBondContact O-N 3.3Å; L362-L365 PolarHBondContact O-N 2.98Å; I363-L365 PolarHBondContact O-N 3.21Å; L365-G368 PolarHBondContact O-N 2.9Å; L365-V369 WeakPolarHBondContact O-CG2 3.28Å; L365-V369 PolarHBondContact O-N 2.94Å; L365-L1319 HydrophobicContact CD1-CD1 4.03Å; L365-L1319 HydrophobicContact CD1-CD2 3.69Å; L365-L1319 HydrophobicContact CD1-CG 3.78Å; L365-L1319 HydrophobicContact CD2-CD1 4.3Å; L365-L1319 HydrophobicContact CD2-CD2 3.66Å; L365-L1319 HydrophobicContact CD2-CG 4.41Å; L365-L1319 HydrophobicContact CG-CD2 4.3Å; L365-F1323 HydrophobicContact CB-CE2 4.43Å; L365-F1323 HydrophobicContact CD1-CD2 4.03Å
366V78.6Confident77.9Confident8 Ų824.4 Ų24.45%0.04813%0.13CC..Hα-helixtrans-62.9-54174.4170.90000110.1L225 I228 L362 I363 G368 V369 L370 Y710L225-V366 HydrophobicContact CD2-CB 4.47Å; L225-V366 HydrophobicContact CD2-CG1 4.02Å; L225-V366 HydrophobicContact CD2-CG2 4.36Å; I228-V366 HydrophobicContact CD1-CG2 3.97Å; I228-V366 HydrophobicContact CG2-CG2 4.02Å; L362-V366 HydrophobicContact CD1-CG2 3.79Å; L362-V366 WeakPolarHBondContact O-CG2 3.39Å; L362-V366 PolarHBondContact O-N 2.96Å; I363-V366 PolarHBondContact O-N 3.06Å; V366-G368 VanDerWaalsContact C-N 3.27Å; V366-G368 PolarHBondContact O-N 3.35Å; V366-V369 PolarHBondContact O-N 3.32Å; V366-L370 HydrophobicContact CG1-CD1 3.5Å; V366-L370 WeakPolarHBondContact O-CB 3.49Å; V366-L370 VanDerWaalsContact O-CD1 3.29Å; V366-L370 WeakPolarHBondContact O-CD1 3.5Å; V366-L370 VanDerWaalsContact O-CG 3.25Å; V366-L370 WeakPolarHBondContact O-CG 3.5Å; V366-L370 PolarHBondContact O-N 3.09Å; V366-Y710 HydrophobicContact CG1-CD1 4.01Å; V366-Y710 HydrophobicContact CG2-CD1 4.17Å; V366-Y710 HydrophobicContact CG2-CE1 4.17Å
367L78.3Confident77.4Confident17 Ų1723.2 Ų23.29%0.08912%0.121CC..Hα-helixtrans-57.1-39.2177.6-69.4172.2000112.3I363 N364 S371 L717 F1430 I1434I363-L367 HydrophobicContact CG2-CD1 3.69Å; I363-L367 HydrophobicContact CG2-CG 4.29Å; I363-L367 WeakPolarHBondContact O-CB 3.41Å; I363-L367 WeakPolarHBondContact O-CG 3.38Å; I363-L367 PolarHBondContact O-N 3.34Å; N364-L367 PolarHBondContact O-N 3.2Å; L367-S371 WeakPolarHBondContact O-CB 3.47Å; L367-S371 PolarHBondContact O-N 3.46Å; L367-S371 PolarHBondContact O-OG 2.92Å; L367-L717 HydrophobicContact CD2-CD2 3.39Å; L367-F1430 HydrophobicContact CD1-CD2 4.36Å; L367-I1434 HydrophobicContact CB-CD1 3.64Å
368G78Confident76.9Confident2 Ų221.7 Ų21.72%0.02111%0.11CC..Hα-helixtrans-66.6-51177.700000113.6N364 L365 V366 L370 S371 G372N364-G368 PolarHBondContact O-N 3.37Å; L365-G368 PolarHBondContact O-N 2.9Å; V366-G368 VanDerWaalsContact C-N 3.27Å; V366-G368 PolarHBondContact O-N 3.35Å; G368-L370 VanDerWaalsContact C-N 3.27Å; G368-L370 PolarHBondContact O-N 3.48Å; G368-S371 PolarHBondContact O-OG 2.94Å; G368-S371 VanDerWaalsContact O-OG 3.07Å; G368-G372 PolarHBondContact O-N 3.48Å
369V78.1Confident76.6Confident17 Ų1727.4 Ų27.410%0.10314%0.136CC..Hα-helixtrans-61.1-39.3178164.80000111.2P224 L225 I228 L365 V366 G372 E373 L1441P224-V369 HydrophobicContact CB-CG1 3.76Å; P224-V369 HydrophobicContact CG-CG1 3.87Å; L225-V369 HydrophobicContact CD2-CG1 4.43Å; I228-V369 HydrophobicContact CD1-CB 4.04Å; I228-V369 HydrophobicContact CD1-CG1 4.46Å; I228-V369 HydrophobicContact CD1-CG2 3.92Å; L365-V369 WeakPolarHBondContact O-CG2 3.28Å; L365-V369 PolarHBondContact O-N 2.94Å; V366-V369 PolarHBondContact O-N 3.32Å; V369-G372 PolarHBondContact O-N 2.95Å; V369-E373 WeakPolarHBondContact O-CG 3.31Å; V369-E373 PolarHBondContact O-N 2.74Å; V369-L1441 HydrophobicContact CG2-CD2 3.87Å
370L76.3Confident76.4Confident1 Ų132.4 Ų32.41%0.00515%0.154CC..Hα-helixtrans-74.2-42.5-179-70.6163000113.8A221 L225 V366 G368 G372 E373 F374 N714A221-L370 HydrophobicContact CB-CD2 4.26Å; L225-L370 HydrophobicContact CD1-CD1 4.42Å; L225-L370 HydrophobicContact CD1-CD2 4.19Å; L225-L370 HydrophobicContact CD2-CD1 4.15Å; L225-L370 HydrophobicContact CD2-CD2 4.22Å; L225-L370 HydrophobicContact CD2-CG 3.99Å; L225-L370 HydrophobicContact CG-CD2 4.32Å; V366-L370 HydrophobicContact CG1-CD1 3.5Å; V366-L370 WeakPolarHBondContact O-CB 3.49Å; V366-L370 VanDerWaalsContact O-CD1 3.29Å; V366-L370 WeakPolarHBondContact O-CD1 3.5Å; V366-L370 VanDerWaalsContact O-CG 3.25Å; V366-L370 WeakPolarHBondContact O-CG 3.5Å; V366-L370 PolarHBondContact O-N 3.09Å; G368-L370 VanDerWaalsContact C-N 3.27Å; G368-L370 PolarHBondContact O-N 3.48Å; L370-G372 PolarHBondContact O-N 3.02Å; L370-E373 PolarHBondContact O-N 3.34Å; L370-F374 HydrophobicContact CB-CD2 4.15Å; L370-F374 HydrophobicContact CB-CE2 3.74Å; L370-F374 HydrophobicContact CB-CZ 4.34Å; L370-F374 HydrophobicContact CD2-CE2 4.09Å; L370-F374 HydrophobicContact CD2-CZ 3.81Å; L370-F374 HydrophobicContact CG-CE2 4.43Å; L370-F374 VanDerWaalsContact O-CB 3.31Å; L370-F374 WeakPolarHBondContact O-CB 3.19Å; L370-F374 WeakPolarHBondContact O-CD2 3.18Å; L370-F374 WeakPolarHBondContact O-CG 3.3Å; L370-F374 PolarHBondContact O-N 2.82Å; L370-N714 HydrophobicContact CD1-CB 3.66Å; L370-N714 VanDerWaalsContact CD1-ND2 3.32Å; L370-N714 WeakPolarHBondContact CD1-ND2 3.33Å; L370-N714 WeakPolarHBondContact CD1-OD1 3.25Å; L370-N714 HydrophobicContact CD2-CB 4.44Å
371S73.9Confident76.1Confident11 Ų1133 Ų338%0.07716%0.163CC..Hα-helixtrans-61.2-34.7173.2530000111.3L367 G368 A375L367-S371 WeakPolarHBondContact O-CB 3.47Å; L367-S371 PolarHBondContact O-N 3.46Å; L367-S371 PolarHBondContact O-OG 2.92Å; G368-S371 PolarHBondContact O-OG 2.94Å; G368-S371 VanDerWaalsContact O-OG 3.07Å; S371-A375 WeakPolarHBondContact O-CB 3.27Å; S371-A375 PolarHBondContact O-N 3.24Å
372G75.7Confident76Confident0 Ų039.6 Ų39.60%019%0.193CC..Hα-helixtrans-61.2-54.1168.600000113.9G368 V369 L370 A375 K376G368-G372 PolarHBondContact O-N 3.48Å; V369-G372 PolarHBondContact O-N 2.95Å; L370-G372 PolarHBondContact O-N 3.02Å; G372-A375 WeakPolarHBondContact O-CB 3.3Å; G372-A375 PolarHBondContact O-N 3.27Å; G372-K376 WeakPolarHBondContact O-CG 3.27Å; G372-K376 PolarHBondContact O-N 2.89Å
373E76Confident75.7Confident48 Ų4842.7 Ų42.722%0.22421%0.206CC..Hα-helixtrans-67.1-36.1-179.9-73.3-57.3122.800113.5P224 V369 L370 K376 E377P224-E373 HydrophobicContact CG-CG 3.94Å; V369-E373 WeakPolarHBondContact O-CG 3.31Å; V369-E373 PolarHBondContact O-N 2.74Å; L370-E373 PolarHBondContact O-N 3.34Å; E373-K376 PolarHBondContact O-N 3.22Å; E373-K376 WeakPolarHBondContact OE1-CD 3.18Å; E373-K376 IonicContact OE1-NZ 3.91Å; E373-K376 PolarHBondContact OE1-NZ 3.46Å; E373-E377 WeakPolarHBondContact O-CB 3.47Å; E373-E377 PolarHBondContact O-N 3.22Å
374F73.2Confident75.5Confident28 Ų2843.7 Ų43.712%0.12321%0.207CC..Hα-helixtrans-69.8-33.4175.1-62.1-36.2000111.7A221 L370 E377 R378 N714 A718A221-F374 HydrophobicContact CB-CE1 3.97Å; A221-F374 HydrophobicContact CB-CZ 4.44Å; L370-F374 HydrophobicContact CB-CD2 4.15Å; L370-F374 HydrophobicContact CB-CE2 3.74Å; L370-F374 HydrophobicContact CB-CZ 4.34Å; L370-F374 HydrophobicContact CD2-CE2 4.09Å; L370-F374 HydrophobicContact CD2-CZ 3.81Å; L370-F374 HydrophobicContact CG-CE2 4.43Å; L370-F374 VanDerWaalsContact O-CB 3.31Å; L370-F374 WeakPolarHBondContact O-CB 3.19Å; L370-F374 WeakPolarHBondContact O-CD2 3.18Å; L370-F374 WeakPolarHBondContact O-CG 3.3Å; L370-F374 PolarHBondContact O-N 2.82Å; F374-E377 PolarHBondContact O-N 2.94Å; F374-R378 WeakPolarHBondContact O-CB 3.34Å; F374-R378 PolarHBondContact O-N 2.87Å; F374-N714 WeakPolarHBondContact CE2-O 3.18Å; F374-A718 HydrophobicContact CD1-CB 4.05Å; F374-A718 HydrophobicContact CD2-CB 3.75Å; F374-A718 HydrophobicContact CE1-CB 3.78Å; F374-A718 HydrophobicContact CE2-CB 3.46Å; F374-A718 VanDerWaalsContact CE2-CB 3.46Å; F374-A718 HydrophobicContact CG-CB 4.06Å; F374-A718 HydrophobicContact CZ-CB 3.49Å; F374-A718 VanDerWaalsContact CZ-CB 3.49Å
375A73Confident75.7Confident28 Ų2851.7 Ų51.723%0.23124%0.237CC..Hα-helixtrans-62.2-49169.100000111.4S371 G372 E377 R378 E379 F1438 T1442S371-A375 WeakPolarHBondContact O-CB 3.27Å; S371-A375 PolarHBondContact O-N 3.24Å; G372-A375 WeakPolarHBondContact O-CB 3.3Å; G372-A375 PolarHBondContact O-N 3.27Å; A375-E377 VanDerWaalsContact C-N 3.35Å; A375-E377 PolarHBondContact O-N 3.3Å; A375-R378 WeakPolarHBondContact O-CB 3.38Å; A375-R378 PolarHBondContact O-N 3.39Å; A375-R378 VanDerWaalsContact O-N 3.16Å; A375-E379 WeakPolarHBondContact O-CG 3.49Å; A375-E379 PolarHBondContact O-N 3.22Å; A375-F1438 HydrophobicContact CB-CZ 4.27Å; A375-T1442 HydrophobicContact CB-CG2 4.12Å
376K75.3Confident75.4Confident40 Ų4053.9 Ų53.917%0.17426%0.257CS..Hα-helixtrans-56.5-45.4174.4-67172.9-166.2163.90112.2G372 E373 E379 R380 L1441 T1442 R1443G372-K376 WeakPolarHBondContact O-CG 3.27Å; G372-K376 PolarHBondContact O-N 2.89Å; E373-K376 PolarHBondContact O-N 3.22Å; E373-K376 WeakPolarHBondContact OE1-CD 3.18Å; E373-K376 IonicContact OE1-NZ 3.91Å; E373-K376 PolarHBondContact OE1-NZ 3.46Å; K376-E379 PolarHBondContact O-N 3.38Å; K376-R380 WeakPolarHBondContact O-CG 3.45Å; K376-R380 PolarHBondContact O-N 3.44Å; K376-L1441 VanDerWaalsContact CE-O 3.24Å; K376-L1441 WeakPolarHBondContact CE-O 3.25Å; K376-L1441 PolarHBondContact NZ-O 2.94Å; K376-T1442 WeakPolarHBondContact CE-O 3.41Å; K376-R1443 PolarHBondContact NZ-O 3.13Å
377E70.8Confident75.3Confident35 Ų3554 Ų5416%0.16426%0.257CS..Hα-helixtrans-63.6-41.7177-171.871.4-10600111.5E373 F374 A375 R380 K383E373-E377 WeakPolarHBondContact O-CB 3.47Å; E373-E377 PolarHBondContact O-N 3.22Å; F374-E377 PolarHBondContact O-N 2.94Å; A375-E377 VanDerWaalsContact C-N 3.35Å; A375-E377 PolarHBondContact O-N 3.3Å; E377-R380 WeakPolarHBondContact O-CB 3.35Å; E377-R380 PolarHBondContact O-N 3.08Å; E377-R380 VanDerWaalsContact O-N 3.16Å; E377-R380 WeakPolarHBondContact OE1-CD 3.14Å; E377-R380 IonicContact OE1-CZ 4Å; E377-R380 IonicContact OE1-NE 2.75Å; E377-R380 IonicContact OE1-NH1 3.11Å; E377-R380 PolarHBondContact OE1-NH1 3.01Å; E377-R380 IonicContact OE2-CZ 2.78Å; E377-R380 IonicContact OE2-NH1 3.62Å; E377-R380 PolarHBondContact OE2-NH1 3.34Å; E377-R380 IonicContact OE2-NH2 3.38Å; E377-K383 HydrophobicContact CG-CD 4.31Å; E377-K383 WeakPolarHBondContact O-CD 3.36Å
378R70.8Confident75.5Confident48 Ų4855.1 Ų55.118%0.18126%0.262CS..Hα-helixtrans-64.9-35.6179.1-171.9173.5-172.8-89.4-14.5113F374 A375 R380 D722 A725 N726 E729F374-R378 WeakPolarHBondContact O-CB 3.34Å; F374-R378 PolarHBondContact O-N 2.87Å; A375-R378 WeakPolarHBondContact O-CB 3.38Å; A375-R378 PolarHBondContact O-N 3.39Å; A375-R378 VanDerWaalsContact O-N 3.16Å; R378-R380 VanDerWaalsContact C-N 3.31Å; R378-D722 VanDerWaalsContact CD-OD1 3.27Å; R378-D722 WeakPolarHBondContact CD-OD1 3.5Å; R378-D722 WeakPolarHBondContact CG-OD1 3.29Å; R378-D722 IonicContact NE-OD1 2.65Å; R378-A725 VanDerWaalsContact CZ-CB 3.49Å; R378-N726 PolarHBondContact NH2-OD1 3.28Å; R378-E729 IonicContact CZ-OE1 2.67Å; R378-E729 VanDerWaalsContact CZ-OE1 3.22Å; R378-E729 IonicContact NH1-OE1 3.13Å; R378-E729 PolarHBondContact NH1-OE1 2.73Å; R378-E729 IonicContact NH2-OE1 2.79Å; R378-E729 PolarHBondContact NH2-OE1 3.35Å
379E72.2Confident75.8Confident123 Ų12362 Ų6258%0.57529%0.292SS*.Hα-helixtrans-71.4-21173.9-71-114.6116.700113.3A375 K376 V381A375-E379 WeakPolarHBondContact O-CG 3.49Å; A375-E379 PolarHBondContact O-N 3.22Å; K376-E379 PolarHBondContact O-N 3.38Å; E379-V381 PolarHBondContact O-N 2.69Å
380R79Confident75.6Confident107 Ų10763.9 Ų63.940%0.40430%0.301SS..SBendtrans-56.4139.7-178.4-65.3-166.2-170141.88111.7K376 E377 R378 E382 K383 R384K376-R380 WeakPolarHBondContact O-CG 3.45Å; K376-R380 PolarHBondContact O-N 3.44Å; E377-R380 WeakPolarHBondContact O-CB 3.35Å; E377-R380 PolarHBondContact O-N 3.08Å; E377-R380 VanDerWaalsContact O-N 3.16Å; E377-R380 WeakPolarHBondContact OE1-CD 3.14Å; E377-R380 IonicContact OE1-CZ 4Å; E377-R380 IonicContact OE1-NE 2.75Å; E377-R380 IonicContact OE1-NH1 3.11Å; E377-R380 PolarHBondContact OE1-NH1 3.01Å; E377-R380 IonicContact OE2-CZ 2.78Å; E377-R380 IonicContact OE2-NH1 3.62Å; E377-R380 PolarHBondContact OE2-NH1 3.34Å; E377-R380 IonicContact OE2-NH2 3.38Å; R378-R380 VanDerWaalsContact C-N 3.31Å; R380-E382 PolarHBondContact O-N 3.03Å; R380-K383 PolarHBondContact O-N 2.97Å; R380-R384 PolarHBondContact O-N 2.99Å
381V75.7Confident75.8Confident80 Ų8066.2 Ų66.249%0.48531%0.31SS..Hα-helixtrans-52.6-30.4-171.1178.40000113E379 R385E379-V381 PolarHBondContact O-N 2.69Å; V381-R385 HydrophobicContact CG1-CG 4.39Å; V381-R385 VanDerWaalsContact O-CB 3.24Å; V381-R385 WeakPolarHBondContact O-CB 3.43Å; V381-R385 WeakPolarHBondContact O-CD 3.38Å; V381-R385 WeakPolarHBondContact O-CG 3.43Å; V381-R385 PolarHBondContact O-N 2.94Å
382E77.2Confident76.1Confident162 Ų16270.9 Ų70.976%0.75733%0.326SS*.Hα-helixtrans-71.7-52.6177.7-61.2-175171.400112.7R380 R384 R385 A386R380-E382 PolarHBondContact O-N 3.03Å; E382-R384 VanDerWaalsContact C-N 3.35Å; E382-R384 PolarHBondContact O-N 3.39Å; E382-R385 PolarHBondContact O-N 2.86Å; E382-A386 PolarHBondContact O-N 2.74Å
383K70.6Confident76.2Confident73 Ų7376.1 Ų76.132%0.31735%0.35SS..Hα-helixtrans-59.7-44.1173.3-82.9-165.4-180-176.40111.1E377 R380 R385 A386 F387 D722E377-K383 HydrophobicContact CG-CD 4.31Å; E377-K383 WeakPolarHBondContact O-CD 3.36Å; R380-K383 PolarHBondContact O-N 2.97Å; K383-R385 VanDerWaalsContact C-N 3.34Å; K383-R385 PolarHBondContact O-N 3.43Å; K383-A386 WeakPolarHBondContact O-CB 3.33Å; K383-A386 PolarHBondContact O-N 2.69Å; K383-A386 VanDerWaalsContact O-N 3.09Å; K383-F387 PolarHBondContact O-N 3.25Å; K383-D722 IonicContact NZ-OD1 2.68Å; K383-D722 IonicContact NZ-OD2 3.4Å; K383-D722 PolarHBondContact NZ-OD2 3.14Å
384R75.6Confident76.1Confident68 Ų6875.6 Ų75.626%0.25735%0.348SS..Hα-helixtrans-64.6-35.2178-156.272-175.6152.51.6112.8R380 E382 L388 E729R380-R384 PolarHBondContact O-N 2.99Å; E382-R384 VanDerWaalsContact C-N 3.35Å; E382-R384 PolarHBondContact O-N 3.39Å; R384-L388 WeakPolarHBondContact O-CB 3.36Å; R384-L388 VanDerWaalsContact O-CG 3.3Å; R384-L388 WeakPolarHBondContact O-CG 3.5Å; R384-L388 PolarHBondContact O-N 2.81Å; R384-E729 IonicContact CZ-OE1 2.69Å; R384-E729 IonicContact CZ-OE2 2.74Å; R384-E729 VanDerWaalsContact CZ-OE2 3.22Å; R384-E729 VanDerWaalsContact NH1-CD 3.29Å; R384-E729 IonicContact NH1-OE1 3.8Å; R384-E729 PolarHBondContact NH1-OE1 2.96Å; R384-E729 IonicContact NH1-OE2 3.58Å; R384-E729 PolarHBondContact NH1-OE2 3.03Å; R384-E729 IonicContact NH2-OE2 3.3Å; R384-E729 PolarHBondContact NH2-OE2 3.21Å
385R80.7Confident76.4Confident176 Ų17677.5 Ų77.566%0.66436%0.357SS*.Hα-helixtrans-65.5-39.1170.6-80168.6-177.4-177.74.3112.2V381 E382 K383 K389V381-R385 HydrophobicContact CG1-CG 4.39Å; V381-R385 VanDerWaalsContact O-CB 3.24Å; V381-R385 WeakPolarHBondContact O-CB 3.43Å; V381-R385 WeakPolarHBondContact O-CD 3.38Å; V381-R385 WeakPolarHBondContact O-CG 3.43Å; V381-R385 PolarHBondContact O-N 2.94Å; E382-R385 PolarHBondContact O-N 2.86Å; K383-R385 VanDerWaalsContact C-N 3.34Å; K383-R385 PolarHBondContact O-N 3.43Å; R385-K389 PolarHBondContact O-N 3.43Å
386A75.1Confident76.6Confident60 Ų6079.4 Ų79.450%0.49637%0.368SS..Hα-helixtrans-65.3-46.9176.200000111.7E382 K383 L388 K389 L390E382-A386 PolarHBondContact O-N 2.74Å; K383-A386 WeakPolarHBondContact O-CB 3.33Å; K383-A386 PolarHBondContact O-N 2.69Å; K383-A386 VanDerWaalsContact O-N 3.09Å; A386-L388 PolarHBondContact O-N 3.2Å; A386-K389 WeakPolarHBondContact O-CA 3.21Å; A386-K389 WeakPolarHBondContact O-CB 3.23Å; A386-K389 PolarHBondContact O-N 2.86Å; A386-L390 PolarHBondContact O-N 2.93Å
387F76.9Confident76.6Confident11 Ų1180.6 Ų80.65%0.04838%0.377CS..Hα-helixtrans-58.5-46.2174.1175.8-105.8000112.2K383 K389 L390 R391 N726 E729K383-F387 PolarHBondContact O-N 3.25Å; F387-K389 PolarHBondContact O-N 3.02Å; F387-L390 PolarHBondContact O-N 3.27Å; F387-L390 VanDerWaalsContact O-N 3.08Å; F387-R391 PolarHBondContact O-N 3.33Å; F387-N726 HydrophobicContact CD2-CB 4.19Å; F387-N726 WeakPolarHBondContact CD2-OD1 3.45Å; F387-N726 HydrophobicContact CE2-CB 4.16Å; F387-E729 HydrophobicContact CE1-CB 4.37Å; F387-E729 WeakPolarHBondContact CE1-OE2 3.19Å; F387-E729 HydrophobicContact CE2-CB 4.27Å; F387-E729 HydrophobicContact CZ-CB 3.64Å
388L81.1Confident77Confident39 Ų3983 Ų8320%0.20438%0.384CS..Hα-helixtrans-66.9-17.9175.7-71.2174.7000113.8R384 A386 R392R384-L388 WeakPolarHBondContact O-CB 3.36Å; R384-L388 VanDerWaalsContact O-CG 3.3Å; R384-L388 WeakPolarHBondContact O-CG 3.5Å; R384-L388 PolarHBondContact O-N 2.81Å; A386-L388 PolarHBondContact O-N 3.2Å; L388-R392 VanDerWaalsContact O-CD 3.22Å; L388-R392 WeakPolarHBondContact O-CD 3.41Å; L388-R392 WeakPolarHBondContact O-CG 3.3Å; L388-R392 PolarHBondContact O-NE 3.42Å
389K84.1Confident77.5Confident147 Ų14784.2 Ų84.264%0.63939%0.392SS*.Hα-helixtrans-79.2-43.1168.3-173.4-175.8175.5-173.20110.6R385 A386 F387 R392 Q393R385-K389 PolarHBondContact O-N 3.43Å; A386-K389 WeakPolarHBondContact O-CA 3.21Å; A386-K389 WeakPolarHBondContact O-CB 3.23Å; A386-K389 PolarHBondContact O-N 2.86Å; F387-K389 PolarHBondContact O-N 3.02Å; K389-R392 PolarHBondContact O-N 2.89Å; K389-Q393 PolarHBondContact O-N 3.08Å
390L74.5Confident78.1Confident57 Ų5780.7 Ų80.730%0.29838%0.377SS..Hα-helixtrans-62.4-49.6177.6-177.162000112.2A386 F387 R392 Q393 Q394A386-L390 PolarHBondContact O-N 2.93Å; F387-L390 PolarHBondContact O-N 3.27Å; F387-L390 VanDerWaalsContact O-N 3.08Å; L390-R392 VanDerWaalsContact C-N 3.28Å; L390-R392 PolarHBondContact O-N 3.22Å; L390-Q393 WeakPolarHBondContact O-CA 3.31Å; L390-Q393 WeakPolarHBondContact O-CB 3.44Å; L390-Q393 PolarHBondContact O-N 2.94Å; L390-Q394 HydrophobicContact CD1-CG 4.37Å; L390-Q394 PolarHBondContact O-N 3.24Å
391R80Confident78Confident50 Ų5077 Ų7719%0.18937%0.365CS..Hα-helixtrans-54.8-42174.3177.8174.71721661.9111.8F387 Q394 Q395 L730 A733 E736 E737F387-R391 PolarHBondContact O-N 3.33Å; R391-Q394 PolarHBondContact O-N 3.05Å; R391-Q395 VanDerWaalsContact O-CB 3.31Å; R391-Q395 WeakPolarHBondContact O-CB 3.18Å; R391-Q395 PolarHBondContact O-N 3.04Å; R391-L730 HydrophobicContact CB-CD1 4.32Å; R391-L730 HydrophobicContact CG-CD1 4.32Å; R391-A733 VanDerWaalsContact NH1-CB 3.28Å; R391-E736 IonicContact NH2-OE2 2.63Å; R391-E736 PolarHBondContact NH2-OE2 3.31Å; R391-E736 VanDerWaalsContact NH2-OE2 3.08Å; R391-E737 IonicContact CZ-OE1 2.7Å; R391-E737 IonicContact NE-OE1 2.72Å; R391-E737 IonicContact NH2-OE1 3.63Å; R391-E737 PolarHBondContact NH2-OE1 3.21Å
392R80.5Confident78.4Confident109 Ų10974.2 Ų74.241%0.41135%0.353SS..Hα-helixtrans-68.7-35.3176.6-71.5172-164.5155.27.4112.9L388 K389 L390 S396L388-R392 VanDerWaalsContact O-CD 3.22Å; L388-R392 WeakPolarHBondContact O-CD 3.41Å; L388-R392 WeakPolarHBondContact O-CG 3.3Å; L388-R392 PolarHBondContact O-NE 3.42Å; K389-R392 PolarHBondContact O-N 2.89Å; L390-R392 VanDerWaalsContact C-N 3.28Å; L390-R392 PolarHBondContact O-N 3.22Å; R392-S396 WeakPolarHBondContact O-CB 3.23Å; R392-S396 PolarHBondContact O-N 3.02Å
393Q77.4Confident78.8Confident109 Ų10971.4 Ų71.451%0.50934%0.336SS..Hα-helixtrans-66.4-47.1173.5-176.7175.5-23.700110K389 L390 Q395 S396 D397K389-Q393 PolarHBondContact O-N 3.08Å; L390-Q393 WeakPolarHBondContact O-CA 3.31Å; L390-Q393 WeakPolarHBondContact O-CB 3.44Å; L390-Q393 PolarHBondContact O-N 2.94Å; Q393-Q395 PolarHBondContact O-N 3.46Å; Q393-S396 CarbonylContact O-C 2.82Å; Q393-S396 WeakPolarHBondContact O-CB 3.38Å; Q393-S396 PolarHBondContact O-N 2.91Å; Q393-D397 WeakPolarHBondContact CG-OD2 3.5Å; Q393-D397 VanDerWaalsContact O-CB 3.25Å; Q393-D397 WeakPolarHBondContact O-CB 3.48Å; Q393-D397 PolarHBondContact O-N 3.09Å
394Q74.4Confident79.3Confident38 Ų3870 Ų7018%0.17833%0.332CS..Hα-helixtrans-68.9-30.4179.5-69.8173-62.300113.8L390 R391 R398 L730L390-Q394 HydrophobicContact CD1-CG 4.37Å; L390-Q394 PolarHBondContact O-N 3.24Å; R391-Q394 PolarHBondContact O-N 3.05Å; Q394-R398 WeakPolarHBondContact O-CD 3.37Å; Q394-R398 VanDerWaalsContact O-CG 3.31Å; Q394-R398 WeakPolarHBondContact O-CG 3.36Å; Q394-R398 PolarHBondContact O-N 2.96Å; Q394-L730 HydrophobicContact CB-CD1 4.42Å; Q394-L730 VanDerWaalsContact NE2-CD2 3.34Å; Q394-L730 VanDerWaalsContact OE1-CD2 3.23Å
395Q79.1Confident79.4Confident68 Ų6868.6 Ų68.632%0.31833%0.329SS..Hα-helixtrans-68.7-47.6168.2-174-165.2-18.800110.8R391 Q393 D397 R398 E399R391-Q395 VanDerWaalsContact O-CB 3.31Å; R391-Q395 WeakPolarHBondContact O-CB 3.18Å; R391-Q395 PolarHBondContact O-N 3.04Å; Q393-Q395 PolarHBondContact O-N 3.46Å; Q395-D397 VanDerWaalsContact C-N 3.26Å; Q395-D397 PolarHBondContact O-N 2.97Å; Q395-R398 WeakPolarHBondContact O-CB 3.25Å; Q395-R398 PolarHBondContact O-N 3.39Å; Q395-E399 PolarHBondContact NE2-OE1 3.19Å; Q395-E399 PolarHBondContact O-N 3.32Å; Q395-E399 VanDerWaalsContact O-N 3.16Å
396S77.1Confident79.4Confident67 Ų6769.1 Ų69.147%0.46933%0.332SS..Hα-helixtrans-52.7-50173.4-175.40000109.5R392 Q393 R398 E399 H2107R392-S396 WeakPolarHBondContact O-CB 3.23Å; R392-S396 PolarHBondContact O-N 3.02Å; Q393-S396 CarbonylContact O-C 2.82Å; Q393-S396 WeakPolarHBondContact O-CB 3.38Å; Q393-S396 PolarHBondContact O-N 2.91Å; S396-R398 PolarHBondContact O-N 3.25Å; S396-E399 PolarHBondContact O-N 2.85Å; S396-E399 VanDerWaalsContact O-N 3.15Å; S396-H2107 PolarHBondContact O-CE1 3.01Å; S396-H2107 PolarHBondContact O-NE2 3.04Å
397D76.4Confident79.8Confident65 Ų6570.2 Ų70.235%0.34833%0.328SS..Hα-helixtrans-60.50.2175.9-68.6-22.2000114.1Q393 Q395 N401 H2107Q393-D397 WeakPolarHBondContact CG-OD2 3.5Å; Q393-D397 VanDerWaalsContact O-CB 3.25Å; Q393-D397 WeakPolarHBondContact O-CB 3.48Å; Q393-D397 PolarHBondContact O-N 3.09Å; Q395-D397 VanDerWaalsContact C-N 3.26Å; Q395-D397 PolarHBondContact O-N 2.97Å; D397-N401 PolarHBondContact O-ND2 3.06Å; D397-N401 PolarHBondContact O-OD1 2.95Å; D397-H2107 WeakPolarHBondContact CA-CE1 3.08Å; D397-H2107 WeakPolarHBondContact CA-NE2 3.35Å; D397-H2107 PolarHBondContact O-CE1 3.26Å; D397-H2107 PolarHBondContact O-ND1 3.45Å; D397-H2107 VanDerWaalsContact O-ND1 3.15Å; D397-H2107 IonicContact OD1-NE2 3.35Å
398R78Confident79.5Confident85 Ų8571 Ų7132%0.32133%0.332SS..Hα-helixtrans-113.2-37.2171.6-72.4166-176.5-127.9-8.9113.5Q394 Q395 S396 N401 G402 E734Q394-R398 WeakPolarHBondContact O-CD 3.37Å; Q394-R398 VanDerWaalsContact O-CG 3.31Å; Q394-R398 WeakPolarHBondContact O-CG 3.36Å; Q394-R398 PolarHBondContact O-N 2.96Å; Q395-R398 WeakPolarHBondContact O-CB 3.25Å; Q395-R398 PolarHBondContact O-N 3.39Å; S396-R398 PolarHBondContact O-N 3.25Å; R398-N401 WeakPolarHBondContact O-CA 3.5Å; R398-N401 VanDerWaalsContact O-CB 3.26Å; R398-N401 WeakPolarHBondContact O-CB 3.31Å; R398-N401 PolarHBondContact O-N 2.94Å; R398-G402 PolarHBondContact O-N 3.41Å; R398-E734 IonicContact CZ-OE1 2.79Å; R398-E734 IonicContact CZ-OE2 2.85Å; R398-E734 IonicContact NE-OE1 3.68Å; R398-E734 IonicContact NH1-OE1 2.74Å; R398-E734 IonicContact NH1-OE2 2.74Å; R398-E734 PolarHBondContact NH1-OE2 2.72Å; R398-E734 IonicContact NH2-OE1 2.69Å; R398-E734 PolarHBondContact NH2-OE1 2.78Å; R398-E734 IonicContact NH2-OE2 3.13Å; R398-E734 PolarHBondContact NH2-OE2 2.94Å
399E81.8Confident79.3Confident75 Ų7577.5 Ų77.535%0.3535%0.354SS..Hα-helixtrans-64.6-50.4-177.5-68.8174.8-164.900111Q395 S396 N401 G402 Y403Q395-E399 PolarHBondContact NE2-OE1 3.19Å; Q395-E399 PolarHBondContact O-N 3.32Å; Q395-E399 VanDerWaalsContact O-N 3.16Å; S396-E399 PolarHBondContact O-N 2.85Å; S396-E399 VanDerWaalsContact O-N 3.15Å; E399-N401 PolarHBondContact O-N 3.41Å; E399-G402 PolarHBondContact O-N 2.8Å; E399-G402 VanDerWaalsContact O-N 3.16Å; E399-Y403 HydrophobicContact CB-CE2 4.34Å; E399-Y403 VanDerWaalsContact O-CD2 3.31Å; E399-Y403 WeakPolarHBondContact O-CD2 3.48Å; E399-Y403 PolarHBondContact O-N 2.78Å
400L84.3Confident79Confident48 Ų4872.5 Ų72.525%0.25134%0.339SS..Hα-helixtrans-69.6-12.9172.5-136.972.2000113.2G402 Y403 L404 Y2106 H2107 S2108L400-G402 VanDerWaalsContact C-N 3.3Å; L400-Y403 HydrophobicContact CB-CD2 4.3Å; L400-Y403 HydrophobicContact CD1-CD2 3.65Å; L400-Y403 HydrophobicContact CD1-CG 4.4Å; L400-Y403 HydrophobicContact CG-CD2 4.35Å; L400-Y403 PolarHBondContact O-N 3.36Å; L400-Y403 VanDerWaalsContact O-N 3.11Å; L400-L404 PolarHBondContact O-N 3.47Å; L400-Y2106 HydrophobicContact CB-CD1 4.49Å; L400-Y2106 HydrophobicContact CD1-CD1 4.22Å; L400-Y2106 HydrophobicContact CD1-CE1 3.68Å; L400-Y2106 HydrophobicContact CD1-CE2 4.47Å; L400-Y2106 HydrophobicContact CD2-CD1 3.5Å; L400-Y2106 VanDerWaalsContact CD2-CD1 3.5Å; L400-Y2106 HydrophobicContact CD2-CD2 3.46Å; L400-Y2106 VanDerWaalsContact CD2-CD2 3.46Å; L400-Y2106 HydrophobicContact CD2-CE1 3.68Å; L400-Y2106 HydrophobicContact CD2-CE2 3.62Å; L400-Y2106 HydrophobicContact CD2-CG 3.44Å; L400-Y2106 VanDerWaalsContact CD2-CG 3.44Å; L400-Y2106 HydrophobicContact CG-CD1 3.41Å; L400-Y2106 VanDerWaalsContact CG-CD1 3.41Å; L400-Y2106 HydrophobicContact CG-CD2 4.29Å; L400-Y2106 HydrophobicContact CG-CE1 3.4Å; L400-Y2106 VanDerWaalsContact CG-CE1 3.4Å; L400-Y2106 HydrophobicContact CG-CE2 4.26Å; L400-Y2106 HydrophobicContact CG-CG 3.93Å; L400-H2107 VanDerWaalsContact CA-CE1 3.49Å; L400-H2107 WeakPolarHBondContact CA-CE1 3.38Å; L400-H2107 HydrophobicContact CB-CB 4.14Å; L400-H2107 VanDerWaalsContact CB-CD2 3.49Å; L400-H2107 WeakPolarHBondContact CB-CD2 3.43Å; L400-H2107 WeakPolarHBondContact CB-CE1 3.31Å; L400-H2107 WeakPolarHBondContact CB-NE2 3.3Å; L400-H2107 HydrophobicContact CD2-CB 4.46Å; L400-H2107 VanDerWaalsContact CD2-CD2 3.49Å; L400-H2107 WeakPolarHBondContact CD2-CD2 3.48Å; L400-H2107 PolarHBondContact N-CE1 3.04Å; L400-S2108 PolarHBondContact O-OG 2.89Å
401N78.7Confident79Confident30 Ų3073.7 Ų73.716%0.1634%0.344CS..Hα-helixtrans-68.4-32.7171-80.50000111.1D397 R398 E399 H2107 S2108D397-N401 PolarHBondContact O-ND2 3.06Å; D397-N401 PolarHBondContact O-OD1 2.95Å; R398-N401 WeakPolarHBondContact O-CA 3.5Å; R398-N401 VanDerWaalsContact O-CB 3.26Å; R398-N401 WeakPolarHBondContact O-CB 3.31Å; R398-N401 PolarHBondContact O-N 2.94Å; E399-N401 PolarHBondContact O-N 3.41Å; N401-H2107 PolarHBondContact N-CE1 3.33Å; N401-H2107 PolarHBondContact N-ND1 3.23Å; N401-H2107 WeakPolarHBondContact OD1-CB 3.47Å; N401-H2107 PolarHBondContact OD1-ND1 3.07Å; N401-S2108 WeakPolarHBondContact CA-OG 3.36Å; N401-S2108 VanDerWaalsContact O-CB 3.22Å; N401-S2108 WeakPolarHBondContact O-CB 3.46Å; N401-S2108 PolarHBondContact O-OG 3.42Å; N401-S2108 WeakPolarHBondContact OD1-CA 3.48Å; N401-S2108 PolarHBondContact OD1-N 2.58Å
402G82.8Confident78.5Confident22 Ų2273.6 Ų73.623%0.22735%0.345CS..Hα-helixtrans-70.3-3716700000111.6R398 E399 L400 D405 W406R398-G402 PolarHBondContact O-N 3.41Å; E399-G402 PolarHBondContact O-N 2.8Å; E399-G402 VanDerWaalsContact O-N 3.16Å; L400-G402 VanDerWaalsContact C-N 3.3Å; G402-D405 PolarHBondContact O-N 2.92Å; G402-W406 WeakPolarHBondContact O-CB 3.43Å; G402-W406 PolarHBondContact O-N 3.35Å
403Y85.7Confident78.2Confident103 Ų10372.1 Ų72.140%0.40435%0.348SS..Hα-helixtrans-70.4-39.9-172.3-60.5-45.9000115.4E399 L400 D405 I407E399-Y403 HydrophobicContact CB-CE2 4.34Å; E399-Y403 VanDerWaalsContact O-CD2 3.31Å; E399-Y403 WeakPolarHBondContact O-CD2 3.48Å; E399-Y403 PolarHBondContact O-N 2.78Å; L400-Y403 HydrophobicContact CB-CD2 4.3Å; L400-Y403 HydrophobicContact CD1-CD2 3.65Å; L400-Y403 HydrophobicContact CD1-CG 4.4Å; L400-Y403 HydrophobicContact CG-CD2 4.35Å; L400-Y403 PolarHBondContact O-N 3.36Å; L400-Y403 VanDerWaalsContact O-N 3.11Å; Y403-D405 VanDerWaalsContact C-N 3.33Å; Y403-I407 WeakPolarHBondContact O-CB 3.24Å; Y403-I407 WeakPolarHBondContact O-CD1 3.19Å; Y403-I407 WeakPolarHBondContact O-CG1 3.17Å; Y403-I407 PolarHBondContact O-N 3.15Å
404L80.6Confident78Confident43 Ų4371.7 Ų71.723%0.22535%0.348CS..Hα-helixtrans-67.1-36.7169.9-67.3-169.6000111.4L400 W406 I407 Q408 Y2106 H2107 S2108L400-L404 PolarHBondContact O-N 3.47Å; L404-W406 VanDerWaalsContact C-N 3.27Å; L404-W406 PolarHBondContact O-N 2.78Å; L404-I407 CarbonylContact O-C 3.52Å; L404-I407 PolarHBondContact O-N 3.2Å; L404-I407 VanDerWaalsContact O-N 3.15Å; L404-Q408 WeakPolarHBondContact O-CB 3.27Å; L404-Q408 PolarHBondContact O-N 2.81Å; L404-Y2106 HydrophobicContact CD2-CD1 3.19Å; L404-Y2106 HydrophobicContact CD2-CE1 3.82Å; L404-Y2106 HydrophobicContact CD2-CG 3.76Å; L404-Y2106 HydrophobicContact CG-CD1 3.54Å; L404-Y2106 HydrophobicContact CG-CE1 4.5Å; L404-Y2106 HydrophobicContact CG-CG 4.04Å; L404-H2107 WeakPolarHBondContact CD1-O 3.3Å; L404-S2108 WeakPolarHBondContact CB-OG 3.49Å; L404-S2108 WeakPolarHBondContact CG-OG 3.15Å
405D77.8Confident77.5Confident39 Ų3971.7 Ų71.721%0.20935%0.35CS..Hα-helixtrans-67.9-35.4-174.3-155.739.6000110.7G402 Y403 R409 K491 L2109G402-D405 PolarHBondContact O-N 2.92Å; Y403-D405 VanDerWaalsContact C-N 3.33Å; D405-R409 VanDerWaalsContact O-CB 3.25Å; D405-R409 WeakPolarHBondContact O-CB 3.46Å; D405-R409 PolarHBondContact O-N 3.42Å; D405-K491 IonicContact OD1-NZ 3.9Å; D405-K491 PolarHBondContact OD1-NZ 3.41Å; D405-L2109 HydrophobicContact CB-CD1 3.89Å; D405-L2109 HydrophobicContact CB-CD2 4.43Å; D405-L2109 HydrophobicContact CB-CG 3.89Å; D405-L2109 WeakPolarHBondContact OD1-CD1 3.41Å; D405-L2109 WeakPolarHBondContact OD1-CD2 3.19Å; D405-L2109 WeakPolarHBondContact OD2-CD2 3.28Å
406W81.7Confident76.9Confident187 Ų18771.1 Ų71.171%0.70836%0.357SS*.Hα-helixtrans-63.2-46.8167-175.365000112.8G402 L404 R409 A410G402-W406 WeakPolarHBondContact O-CB 3.43Å; G402-W406 PolarHBondContact O-N 3.35Å; L404-W406 VanDerWaalsContact C-N 3.27Å; L404-W406 PolarHBondContact O-N 2.78Å; W406-R409 PolarHBondContact O-N 3.36Å; W406-A410 PolarHBondContact O-N 2.78Å
407I83.1Confident76.4Confident82 Ų8273.6 Ų73.642%0.42136%0.36SS..Hα-helixtrans-61.7-44177.3-70163.3000111.7Y403 L404 R409 A410 E411 Y2106Y403-I407 WeakPolarHBondContact O-CB 3.24Å; Y403-I407 WeakPolarHBondContact O-CD1 3.19Å; Y403-I407 WeakPolarHBondContact O-CG1 3.17Å; Y403-I407 PolarHBondContact O-N 3.15Å; L404-I407 CarbonylContact O-C 3.52Å; L404-I407 PolarHBondContact O-N 3.2Å; L404-I407 VanDerWaalsContact O-N 3.15Å; I407-R409 VanDerWaalsContact C-N 3.33Å; I407-R409 PolarHBondContact O-N 3.47Å; I407-A410 WeakPolarHBondContact O-CB 3.44Å; I407-A410 PolarHBondContact O-N 2.75Å; I407-E411 PolarHBondContact O-N 3.23Å; I407-Y2106 HydrophobicContact CD1-CE1 4.49Å
408Q70.6Confident75.6Confident28 Ų2876.7 Ų76.713%0.13137%0.373CS..Hα-helixtrans-64.3-40.4177.1-167.3-155.4-64.200110.6L404 A410 E411 E412L404-Q408 WeakPolarHBondContact O-CB 3.27Å; L404-Q408 PolarHBondContact O-N 2.81Å; Q408-A410 VanDerWaalsContact C-N 3.3Å; Q408-A410 PolarHBondContact O-N 3.14Å; Q408-E411 WeakPolarHBondContact O-CB 3.41Å; Q408-E411 PolarHBondContact O-N 3.34Å; Q408-E412 PolarHBondContact NE2-OE1 3.33Å; Q408-E412 PolarHBondContact O-N 3.4Å
409R76.6Confident74.4Confident176 Ų17678.3 Ų78.366%0.66438%0.384SS*.Hα-helixtrans-67.8-31.5177-156.7174.7-165.194.3-3.5111.8D405 W406 I407 V413D405-R409 VanDerWaalsContact O-CB 3.25Å; D405-R409 WeakPolarHBondContact O-CB 3.46Å; D405-R409 PolarHBondContact O-N 3.42Å; W406-R409 PolarHBondContact O-N 3.36Å; I407-R409 VanDerWaalsContact C-N 3.33Å; I407-R409 PolarHBondContact O-N 3.47Å; R409-V413 WeakPolarHBondContact O-CG2 3.3Å; R409-V413 PolarHBondContact O-N 2.85Å
410A78Confident73.1Confident41 Ų4177.7 Ų77.734%0.33939%0.385SS..Hα-helixtrans-69.1-42.4169.600000112.2W406 I407 Q408 E412 V413 I414W406-A410 PolarHBondContact O-N 2.78Å; I407-A410 WeakPolarHBondContact O-CB 3.44Å; I407-A410 PolarHBondContact O-N 2.75Å; Q408-A410 VanDerWaalsContact C-N 3.3Å; Q408-A410 PolarHBondContact O-N 3.14Å; A410-E412 VanDerWaalsContact C-N 3.33Å; A410-E412 PolarHBondContact O-N 3Å; A410-V413 PolarHBondContact O-N 3.46Å; A410-V413 VanDerWaalsContact O-N 3.15Å; A410-I414 VanDerWaalsContact O-CG1 3.31Å; A410-I414 WeakPolarHBondContact O-CG1 3.35Å; A410-I414 PolarHBondContact O-N 2.83Å
411E74.1Confident71.7Confident82 Ų8278.8 Ų78.838%0.38340%0.397SS..Hα-helixtrans-55.7-47.2172.8-166.2-167.7-170.300110.9I407 Q408 V413 I414 L415 F484 R487I407-E411 PolarHBondContact O-N 3.23Å; Q408-E411 WeakPolarHBondContact O-CB 3.41Å; Q408-E411 PolarHBondContact O-N 3.34Å; E411-V413 VanDerWaalsContact C-N 3.3Å; E411-V413 PolarHBondContact O-N 3.43Å; E411-I414 PolarHBondContact O-N 3.12Å; E411-L415 HydrophobicContact CG-CD1 3.97Å; E411-L415 WeakPolarHBondContact O-CD1 3.4Å; E411-L415 WeakPolarHBondContact O-CG 3.43Å; E411-L415 PolarHBondContact O-N 3.05Å; E411-L415 VanDerWaalsContact O-N 3.13Å; E411-F484 WeakPolarHBondContact OE1-CZ 3.35Å; E411-R487 IonicContact OE2-NH1 2.63Å; E411-R487 PolarHBondContact OE2-NH1 3.02Å
412E69.7Low70.5Confident48 Ų4885.1 Ų85.122%0.22442%0.424CS..Hα-helixtrans-61.9-31.5177.1-76.8-174.7-128.600113.8Q408 A410 R488Q408-E412 PolarHBondContact NE2-OE1 3.33Å; Q408-E412 PolarHBondContact O-N 3.4Å; A410-E412 VanDerWaalsContact C-N 3.33Å; A410-E412 PolarHBondContact O-N 3Å; E412-R488 IonicContact OE2-CZ 3.65Å; E412-R488 IonicContact OE2-NE 2.73Å; E412-R488 IonicContact OE2-NH2 2.77Å; E412-R488 PolarHBondContact OE2-NH2 3.46Å
413V74.9Confident69.3Low79 Ų7986.8 Ų86.848%0.47944%0.435SS..Hα-helixtrans-78.4-44.6176.6170.10000111.5R409 A410 E411 L415 A416 E417R409-V413 WeakPolarHBondContact O-CG2 3.3Å; R409-V413 PolarHBondContact O-N 2.85Å; A410-V413 PolarHBondContact O-N 3.46Å; A410-V413 VanDerWaalsContact O-N 3.15Å; E411-V413 VanDerWaalsContact C-N 3.3Å; E411-V413 PolarHBondContact O-N 3.43Å; V413-L415 VanDerWaalsContact C-N 3.32Å; V413-L415 PolarHBondContact O-N 3.31Å; V413-A416 WeakPolarHBondContact O-CA 3.46Å; V413-A416 WeakPolarHBondContact O-CB 3.35Å; V413-A416 PolarHBondContact O-N 3.43Å; V413-E417 HydrophobicContact CG1-CG 4.45Å; V413-E417 PolarHBondContact O-N 3.36Å
414I73Confident67.9Low99 Ų9987.4 Ų87.451%0.50844%0.442SS..Hα-helixtrans-59.9-43.6-179.8-68163.3000110.7A410 E411 A416 E417 E418A410-I414 VanDerWaalsContact O-CG1 3.31Å; A410-I414 WeakPolarHBondContact O-CG1 3.35Å; A410-I414 PolarHBondContact O-N 2.83Å; E411-I414 PolarHBondContact O-N 3.12Å; I414-A416 PolarHBondContact O-N 3.3Å; I414-E417 PolarHBondContact O-N 3.38Å; I414-E417 VanDerWaalsContact O-N 3.1Å; I414-E418 PolarHBondContact O-N 3.03Å
415L64.2Low66.8Low39 Ų3990.4 Ų90.420%0.20445%0.45CS..Hα-helixtrans-68.5-15.1177-72.3163.9000114.3E411 V413 Q419 F484E411-L415 HydrophobicContact CG-CD1 3.97Å; E411-L415 WeakPolarHBondContact O-CD1 3.4Å; E411-L415 WeakPolarHBondContact O-CG 3.43Å; E411-L415 PolarHBondContact O-N 3.05Å; E411-L415 VanDerWaalsContact O-N 3.13Å; V413-L415 VanDerWaalsContact C-N 3.32Å; V413-L415 PolarHBondContact O-N 3.31Å; L415-Q419 PolarHBondContact O-NE2 3.19Å; L415-F484 HydrophobicContact CD1-CD2 3.96Å; L415-F484 HydrophobicContact CD1-CE1 4.03Å; L415-F484 HydrophobicContact CD1-CE2 3.28Å; L415-F484 HydrophobicContact CD1-CZ 3.32Å
416A66.8Low66Low56 Ų5692 Ų9246%0.46346%0.459SS..Hα-helixtrans-84.9-41.9167.300000111.2V413 I414 E418 Q419V413-A416 WeakPolarHBondContact O-CA 3.46Å; V413-A416 WeakPolarHBondContact O-CB 3.35Å; V413-A416 PolarHBondContact O-N 3.43Å; I414-A416 PolarHBondContact O-N 3.3Å; A416-E418 PolarHBondContact O-N 2.96Å; A416-Q419 WeakPolarHBondContact O-CB 3.38Å; A416-Q419 PolarHBondContact O-N 3.48Å
417E65.6Low65.3Low118 Ų11888.1 Ų88.155%0.55145%0.452SS*.Hα-helixtrans-67.1-29179.9-71-161.415600114.1V413 I414 Q419 T420 R425V413-E417 HydrophobicContact CG1-CG 4.45Å; V413-E417 PolarHBondContact O-N 3.36Å; I414-E417 PolarHBondContact O-N 3.38Å; I414-E417 VanDerWaalsContact O-N 3.1Å; E417-Q419 PolarHBondContact O-N 3.23Å; E417-Q419 VanDerWaalsContact O-N 3.13Å; E417-T420 PolarHBondContact O-N 2.94Å; E417-T420 PolarHBondContact O-OG1 2.87Å; E417-R425 PolarHBondContact O-NH2 2.94Å
418E60.3Low64.5Low130 Ų13089 Ų8961%0.60746%0.456SS*.THydrogen-bonded Turntrans-59.9-17.7173.5-74.9-166.3137.700113.9I414 A416 T420I414-E418 PolarHBondContact O-N 3.03Å; A416-E418 PolarHBondContact O-N 2.96Å; E418-T420 VanDerWaalsContact C-N 3.31Å; E418-T420 PolarHBondContact O-N 3.17Å
419Q53.1Low64.4Low119 Ų11992 Ų9256%0.55647%0.472SS*.THydrogen-bonded Turntrans-86.6-0.6-179.2-51.2-177.240.800112.9L415 A416 E417L415-Q419 PolarHBondContact O-NE2 3.19Å; A416-Q419 WeakPolarHBondContact O-CB 3.38Å; A416-Q419 PolarHBondContact O-N 3.48Å; E417-Q419 PolarHBondContact O-N 3.23Å; E417-Q419 VanDerWaalsContact O-N 3.13Å
420T53.7Low64.2Low62 Ų6289.5 Ų89.538%0.3847%0.466SS..SBendtrans-82.1128.5179.856.80000112.2E417 E418 R425E417-T420 PolarHBondContact O-N 2.94Å; E417-T420 PolarHBondContact O-OG1 2.87Å; E418-T420 VanDerWaalsContact C-N 3.31Å; E418-T420 PolarHBondContact O-N 3.17Å; T420-R425 PolarHBondContact OG1-NE 3.45Å; T420-R425 VanDerWaalsContact OG1-NE 3.09Å
421S54.1Low63.8Low71 Ų7190.4 Ų90.450%0.49747%0.473SS..  trans-58.4140.1-175.4175.50000112.6A423 Q424 R425S421-A423 PolarHBondContact O-N 3.46Å; S421-A423 VanDerWaalsContact O-N 3.08Å; S421-Q424 WeakPolarHBondContact O-CB 3.48Å; S421-Q424 PolarHBondContact O-N 2.94Å; S421-R425 PolarHBondContact O-N 3.36Å; S421-R425 VanDerWaalsContact O-N 3.13Å
422F54.2Low63.7Low164 Ų16492.2 Ų92.272%0.71948%0.477SS*.Hα-helixtrans-51.3-35.2179.3-174.7-96.6000113R425 L426F422-R425 PolarHBondContact O-N 3.48Å; F422-L426 WeakPolarHBondContact O-CB 3.5Å; F422-L426 PolarHBondContact O-N 2.97Å
423A56.7Low63.8Low57 Ų5797.2 Ų97.247%0.47150%0.498SS..Hα-helixtrans-65.4-37.6176.100000113.2S421 N427S421-A423 PolarHBondContact O-N 3.46Å; S421-A423 VanDerWaalsContact O-N 3.08Å; A423-N427 PolarHBondContact O-N 2.96Å
424Q57.1Low63.5Low116 Ų116102.9 Ų102.954%0.54251%0.511SS..Hα-helixtrans-69.6-44.2175-71176.1-37.900110.8S421 L426 N427 I428S421-Q424 WeakPolarHBondContact O-CB 3.48Å; S421-Q424 PolarHBondContact O-N 2.94Å; Q424-L426 VanDerWaalsContact C-N 3.33Å; Q424-L426 PolarHBondContact O-N 3.38Å; Q424-N427 PolarHBondContact O-N 3.19Å; Q424-I428 WeakPolarHBondContact O-CG1 3.3Å; Q424-I428 PolarHBondContact O-N 2.92Å
425R57.3Low63.4Low105 Ų105101.5 Ų101.540%0.39651%0.514SS..Hα-helixtrans-55.5-46.9173.8-70-177.6169.4-153.2-9.1111.4E417 T420 S421 F422 N427 I428 I429E417-R425 PolarHBondContact O-NH2 2.94Å; T420-R425 PolarHBondContact OG1-NE 3.45Å; T420-R425 VanDerWaalsContact OG1-NE 3.09Å; S421-R425 PolarHBondContact O-N 3.36Å; S421-R425 VanDerWaalsContact O-N 3.13Å; F422-R425 PolarHBondContact O-N 3.48Å; R425-N427 VanDerWaalsContact C-N 3.32Å; R425-N427 PolarHBondContact O-N 3.31Å; R425-I428 PolarHBondContact O-N 3.19Å; R425-I429 WeakPolarHBondContact O-CD1 3.37Å; R425-I429 VanDerWaalsContact O-CG1 3.26Å; R425-I429 WeakPolarHBondContact O-CG1 3.48Å; R425-I429 PolarHBondContact O-N 3.21Å
426L62.4Low63.6Low74 Ų74102.2 Ų102.239%0.38752%0.516SS..Hα-helixtrans-60.6-38.8178.3-166.473.2000112.8F422 Q424 K430F422-L426 WeakPolarHBondContact O-CB 3.5Å; F422-L426 PolarHBondContact O-N 2.97Å; Q424-L426 VanDerWaalsContact C-N 3.33Å; Q424-L426 PolarHBondContact O-N 3.38Å; L426-K430 WeakPolarHBondContact O-CB 3.25Å; L426-K430 WeakPolarHBondContact O-CG 3.28Å; L426-K430 PolarHBondContact O-N 3.5Å
427N66.2Low63.2Low105 Ų105108.1 Ų108.156%0.56153%0.531SS*.Hα-helixtrans-72.1-40.4178.5-75.2-17.7000112.7A423 Q424 R425 I429 K430 A431A423-N427 PolarHBondContact O-N 2.96Å; Q424-N427 PolarHBondContact O-N 3.19Å; R425-N427 VanDerWaalsContact C-N 3.32Å; R425-N427 PolarHBondContact O-N 3.31Å; N427-I429 VanDerWaalsContact C-N 3.33Å; N427-I429 PolarHBondContact O-N 3.42Å; N427-K430 PolarHBondContact O-N 3Å; N427-A431 WeakPolarHBondContact O-CB 3.39Å; N427-A431 PolarHBondContact O-N 3.31Å
428I66.5Low63.2Low101 Ų101108.3 Ų108.352%0.51854%0.54SS..Hα-helixtrans-62.5-41.4174.5-65.9165000110.5Q424 R425 A431 R432Q424-I428 WeakPolarHBondContact O-CG1 3.3Å; Q424-I428 PolarHBondContact O-N 2.92Å; R425-I428 PolarHBondContact O-N 3.19Å; I428-A431 PolarHBondContact O-N 3.23Å; I428-R432 PolarHBondContact O-N 3.13Å
429I69.1Low63.2Low91 Ų91109.8 Ų109.847%0.46754%0.54SS..Hα-helixtrans-64.5-44.1175.8-67.7164.4000111.2R425 N427 A431 R432 K433R425-I429 WeakPolarHBondContact O-CD1 3.37Å; R425-I429 VanDerWaalsContact O-CG1 3.26Å; R425-I429 WeakPolarHBondContact O-CG1 3.48Å; R425-I429 PolarHBondContact O-N 3.21Å; N427-I429 VanDerWaalsContact C-N 3.33Å; N427-I429 PolarHBondContact O-N 3.42Å; I429-A431 VanDerWaalsContact C-N 3.31Å; I429-A431 PolarHBondContact O-N 2.82Å; I429-R432 PolarHBondContact O-N 3.47Å; I429-K433 PolarHBondContact O-N 3.06Å
430K70.9Confident63.2Low122 Ų122112 Ų11253%0.5354%0.544SS..Hα-helixtrans-62.6-36175-77.5175.4178.5177.40112.3L426 N427 R434L426-K430 WeakPolarHBondContact O-CB 3.25Å; L426-K430 WeakPolarHBondContact O-CG 3.28Å; L426-K430 PolarHBondContact O-N 3.5Å; N427-K430 PolarHBondContact O-N 3Å; K430-R434 WeakPolarHBondContact O-CG 3.45Å; K430-R434 PolarHBondContact O-N 3.43Å
431A71Confident62.8Low60 Ų60120.6 Ų120.650%0.49657%0.569SS.*Hα-helixtrans-66.5-50.3175.200000111.8N427 I428 I429 K433 R434 A435N427-A431 WeakPolarHBondContact O-CB 3.39Å; N427-A431 PolarHBondContact O-N 3.31Å; I428-A431 PolarHBondContact O-N 3.23Å; I429-A431 VanDerWaalsContact C-N 3.31Å; I429-A431 PolarHBondContact O-N 2.82Å; A431-K433 PolarHBondContact O-N 3.22Å; A431-R434 PolarHBondContact O-N 3.25Å; A431-R434 VanDerWaalsContact O-N 3.12Å; A431-A435 PolarHBondContact O-N 3.01Å; A431-A435 VanDerWaalsContact O-N 3.11Å
432R72.1Confident62.6Low120 Ų120121.5 Ų121.545%0.45358%0.575SS.*Hα-helixtrans-57.1-48176.1-73.8-176.9175-137.7-7.1111.9I428 I429 R434 A435 E436 R1985 Y1986I428-R432 PolarHBondContact O-N 3.13Å; I429-R432 PolarHBondContact O-N 3.47Å; R432-R434 VanDerWaalsContact C-N 3.25Å; R432-R434 PolarHBondContact O-N 3.36Å; R432-A435 PolarHBondContact O-N 3.02Å; R432-A435 VanDerWaalsContact O-N 3.15Å; R432-E436 WeakPolarHBondContact O-CB 3.17Å; R432-E436 PolarHBondContact O-N 3.49Å; R432-R1985 PolarHBondContact NH1-O 2.78Å; R432-Y1986 PolarHBondContact NH1-O 3.33Å; R432-Y1986 PolarHBondContact NH2-O 2.7Å
433K70.8Confident62.3Low154 Ų154119.5 Ų119.567%0.6757%0.572SS**Hα-helixtrans-62.2-26.5177.5-74.6-167.7174.8-1710114I429 A431 K437I429-K433 PolarHBondContact O-N 3.06Å; A431-K433 PolarHBondContact O-N 3.22Å; K433-K437 PolarHBondContact O-N 3.08Å
434R69.3Low62.3Low198 Ų198121.2 Ų121.275%0.74757%0.573SS**Hα-helixtrans-73.4-45172-78.5178.5174-179.9-2.5112K430 A431 R432 E436 K437 V438K430-R434 WeakPolarHBondContact O-CG 3.45Å; K430-R434 PolarHBondContact O-N 3.43Å; A431-R434 PolarHBondContact O-N 3.25Å; A431-R434 VanDerWaalsContact O-N 3.12Å; R432-R434 VanDerWaalsContact C-N 3.25Å; R432-R434 PolarHBondContact O-N 3.36Å; R434-E436 VanDerWaalsContact C-N 3.3Å; R434-E436 PolarHBondContact O-N 2.96Å; R434-K437 PolarHBondContact O-N 3.46Å; R434-V438 PolarHBondContact O-N 3.44Å
435A70Confident62.3Low69 Ų69119.5 Ų119.557%0.5758%0.579SS**Hα-helixtrans-61-39.3174.600000112.1A431 R432 V438A431-A435 PolarHBondContact O-N 3.01Å; A431-A435 VanDerWaalsContact O-N 3.11Å; R432-A435 PolarHBondContact O-N 3.02Å; R432-A435 VanDerWaalsContact O-N 3.15Å; A435-V438 PolarHBondContact O-N 3.25Å
436E68.8Low62.2Low55 Ų55120.5 Ų120.526%0.25759%0.588SS.*Hα-helixtrans-59.6-46.3175.6-151.383.1-114.600112.1R432 R434 V438 R439 R1985R432-E436 WeakPolarHBondContact O-CB 3.17Å; R432-E436 PolarHBondContact O-N 3.49Å; R434-E436 VanDerWaalsContact C-N 3.3Å; R434-E436 PolarHBondContact O-N 2.96Å; E436-V438 VanDerWaalsContact C-N 3.33Å; E436-V438 PolarHBondContact O-N 3Å; E436-R439 PolarHBondContact O-N 3.44Å; E436-R1985 WeakPolarHBondContact OE1-CD 3.36Å; E436-R1985 IonicContact OE1-CZ 3.35Å; E436-R1985 IonicContact OE1-NE 3.11Å; E436-R1985 IonicContact OE1-NH1 3.21Å; E436-R1985 PolarHBondContact OE1-NH1 2.98Å
437K58.4Low61.8Low180 Ų180123.4 Ų123.478%0.78360%0.598SS**Hα-helixtrans-67.4-26.1-177.7-102.5-171.2174.7-175.70114.3K433 R434K433-K437 PolarHBondContact O-N 3.08Å; R434-K437 PolarHBondContact O-N 3.46Å
438V65.5Low61.9Low121 Ų121128 Ų12873%0.73361%0.607SS**Hα-helixtrans-73.4-30.7177.2175.50000111.3R434 A435 E436 R440R434-V438 PolarHBondContact O-N 3.44Å; A435-V438 PolarHBondContact O-N 3.25Å; E436-V438 VanDerWaalsContact C-N 3.33Å; E436-V438 PolarHBondContact O-N 3Å; V438-R440 VanDerWaalsContact C-N 3.27Å; V438-R440 PolarHBondContact O-N 3.36Å
439R60.2Low61.9Low162 Ų162126.2 Ų126.261%0.61161%0.607SS**THydrogen-bonded Turntrans-84.914.1-174.9-154.8168.6177-171.5-3.6114.3E436 Y1986E436-R439 PolarHBondContact O-N 3.44Å; R439-Y1986 PolarHBondContact NH1-OH 2.81Å
440R52.7Low61.5Low166 Ų166126 Ų12663%0.62661%0.606SS**  trans-143.898.8175.3-72.4-171.9173.9179.6-2.8112.7V438V438-R440 VanDerWaalsContact C-N 3.27Å; V438-R440 PolarHBondContact O-N 3.36Å
441R45.5Very low61.5Low242 Ų242123 Ų12391%0.91360%0.604SS**  trans-126.2150.3156.2-62.6176.7177.2176.1-2.9105.7
442S48.8Very low61.4Low89 Ų89123.1 Ų123.162%0.62261%0.605SS**  cis-145.7148.54.7-168.70000110.5
443N48.7Very low60.9Low122 Ų122124.2 Ų124.265%0.65262%0.615SS**  trans175.5113150.7-94.2-14.2000108.5A445 E446N443-A445 VanDerWaalsContact C-N 3.34Å; N443-A445 PolarHBondContact O-N 3.35Å; N443-E446 PolarHBondContact O-N 2.91Å
444D57.9Low60.5Low93 Ų93123 Ų12350%0.49762%0.615SS.*Hα-helixtrans-76.2-13.4-164.5-80-60.4000115.9K447D444-K447 VanDerWaalsContact OD1-CD 3.29Å; D444-K447 WeakPolarHBondContact OD1-CD 3.37Å; D444-K447 WeakPolarHBondContact OD1-CE 3.47Å; D444-K447 IonicContact OD1-NZ 2.73Å; D444-K447 PolarHBondContact OD1-NZ 3.19Å
445A57.1Low60.5Low80 Ų80121.2 Ų121.266%0.66162%0.616SS**Hα-helixtrans-66.5-43.9173.900000112.3N443 K447 R448N443-A445 VanDerWaalsContact C-N 3.34Å; N443-A445 PolarHBondContact O-N 3.35Å; A445-K447 VanDerWaalsContact C-N 3.26Å; A445-K447 PolarHBondContact O-N 3.07Å; A445-R448 PolarHBondContact O-N 2.86Å
446E54.7Low60.1Low127 Ų127124.1 Ų124.159%0.59362%0.622SS**Hα-helixtrans-63.2-32.1-176.2-164.3-175.3167.100112N443 R448 A449 I450N443-E446 PolarHBondContact O-N 2.91Å; E446-R448 VanDerWaalsContact C-N 3.26Å; E446-R448 PolarHBondContact O-N 3.44Å; E446-A449 PolarHBondContact O-N 3.14Å; E446-I450 HydrophobicContact CG-CD1 3.95Å; E446-I450 PolarHBondContact O-N 2.77Å
447K54.4Low59.5Low135 Ų135123.7 Ų123.759%0.58762%0.624SS**Hα-helixtrans-59-33.2177.1-69.1-177.7-173.5164.10113.5D444 A445 A451D444-K447 VanDerWaalsContact OD1-CD 3.29Å; D444-K447 WeakPolarHBondContact OD1-CD 3.37Å; D444-K447 WeakPolarHBondContact OD1-CE 3.47Å; D444-K447 IonicContact OD1-NZ 2.73Å; D444-K447 PolarHBondContact OD1-NZ 3.19Å; A445-K447 VanDerWaalsContact C-N 3.26Å; A445-K447 PolarHBondContact O-N 3.07Å; K447-A451 PolarHBondContact O-N 3.42Å
448R67.8Low59.7Low201 Ų201121.3 Ų121.376%0.75862%0.616SS**Hα-helixtrans-79.1-37.6-176.7-65.2-174.3-175.5139.11.3112A445 E446 A451 A452A445-R448 PolarHBondContact O-N 2.86Å; E446-R448 VanDerWaalsContact C-N 3.26Å; E446-R448 PolarHBondContact O-N 3.44Å; R448-A451 PolarHBondContact O-N 2.86Å; R448-A452 PolarHBondContact O-N 2.73Å
449A66.2Low59.7Low63 Ų63118.6 Ų118.652%0.52161%0.606SS.*Hα-helixtrans-63.4-50.6176.100000111.7E446 A451 A452 E453E446-A449 PolarHBondContact O-N 3.14Å; A449-A451 PolarHBondContact O-N 2.88Å; A449-A452 PolarHBondContact O-N 2.82Å; A449-A452 VanDerWaalsContact O-N 3.14Å; A449-E453 PolarHBondContact O-N 3.08Å
450I61.6Low59.7Low86 Ų86113.4 Ų113.444%0.44159%0.589SS.*Hα-helixtrans-63.9-28.2-178.8-63.1172000112.1E446 L454E446-I450 HydrophobicContact CG-CD1 3.95Å; E446-I450 PolarHBondContact O-N 2.77Å; I450-L454 PolarHBondContact O-N 2.74Å
451A70.4Confident60.1Low60 Ų60110.7 Ų110.750%0.49659%0.586SS.*Hα-helixtrans-65.8-42.7175.400000112.3K447 R448 A449 L454 E455K447-A451 PolarHBondContact O-N 3.42Å; R448-A451 PolarHBondContact O-N 2.86Å; A449-A451 PolarHBondContact O-N 2.88Å; A451-L454 PolarHBondContact O-N 3.41Å; A451-E455 PolarHBondContact O-N 3.18Å
452A68.8Low61Low62 Ų62105.7 Ų105.751%0.51257%0.571SS.*Hα-helixtrans-69.4-36.7-178.600000113.2R448 A449 L454R448-A452 PolarHBondContact O-N 2.73Å; A449-A452 PolarHBondContact O-N 2.82Å; A449-A452 VanDerWaalsContact O-N 3.14Å; A452-L454 VanDerWaalsContact C-N 3.35Å
453E60.8Low61.5Low143 Ų143105.9 Ų105.967%0.66858%0.578SS**Hα-helixtrans-65.8-37174.8-69.6-173.2130.700112.4A449 E455 C457A449-E453 PolarHBondContact O-N 3.08Å; E453-E455 PolarHBondContact O-N 3.21Å; E453-C457 PolarHBondContact O-N 2.72Å
454L62.6Low61.9Low128 Ų128105.6 Ų105.667%0.6757%0.571SS**Hα-helixtrans-67.7-37.1-176-148.184.2000112.6I450 A451 A452 C457 E458I450-L454 PolarHBondContact O-N 2.74Å; A451-L454 PolarHBondContact O-N 3.41Å; A452-L454 VanDerWaalsContact C-N 3.35Å; L454-C457 PolarHBondContact O-N 2.9Å; L454-E458 PolarHBondContact O-N 2.82Å
455E69.3Low61.6Low161 Ų161110 Ų11075%0.75258%0.58SS**Hα-helixtrans-69.2-37.8-176.3-163.5159.3-134.500111.9A451 E453A451-E455 PolarHBondContact O-N 3.18Å; E453-E455 PolarHBondContact O-N 3.21Å
456N62.5Low60.9Low130 Ų130113.7 Ų113.770%0.69559%0.589SS**Hα-helixtrans-64.4-38.7172.7-104-25.3000112.8A459N456-A459 PolarHBondContact O-N 2.97Å
457C55.6Low60.4Low47 Ų47116.5 Ų116.532%0.31860%0.6SS.*Hα-helixtrans-73.7-32.7-175.8-165.30000113E453 L454 A459 E460E453-C457 PolarHBondContact O-N 2.72Å; L454-C457 PolarHBondContact O-N 2.9Å; C457-A459 VanDerWaalsContact C-N 3.25Å; C457-A459 PolarHBondContact O-N 3.08Å; C457-E460 PolarHBondContact O-N 2.86Å
458E62.1Low59.7Low130 Ų130119 Ų11961%0.60761%0.611SS**Hα-helixtrans-70.9-20.2178.1-155.4-176.7-112.900113.1L454 K462L454-E458 PolarHBondContact O-N 2.82Å; E458-K462 IonicContact OE2-NZ 3.16Å; E458-K462 PolarHBondContact OE2-NZ 3.18Å
459A66.4Low58.9Low64 Ų64117.1 Ų117.153%0.52961%0.614SS.*Hα-helixtrans-69.1-44.817400000112.3N456 C457 L461N456-A459 PolarHBondContact O-N 2.97Å; C457-A459 VanDerWaalsContact C-N 3.25Å; C457-A459 PolarHBondContact O-N 3.08Å; A459-L461 PolarHBondContact O-N 2.97Å
460E59.7Low57.8Low53 Ų53120.1 Ų120.125%0.24863%0.628CS.*Hα-helixtrans-66.1-38-175.9-51.5-161.3122.400112.5C457 K462 A463 R1978 S1979C457-E460 PolarHBondContact O-N 2.86Å; E460-K462 VanDerWaalsContact C-N 3.26Å; E460-K462 PolarHBondContact O-N 2.92Å; E460-A463 PolarHBondContact O-N 2.95Å; E460-R1978 WeakPolarHBondContact OE1-CD 3.39Å; E460-R1978 IonicContact OE1-CZ 2.63Å; E460-R1978 IonicContact OE1-NE 2.65Å; E460-R1978 PolarHBondContact OE1-NE 2.86Å; E460-R1978 VanDerWaalsContact OE1-NE 3.16Å; E460-R1978 IonicContact OE1-NH1 3.04Å; E460-R1978 PolarHBondContact OE1-NH1 3.18Å; E460-R1978 WeakPolarHBondContact OE2-CB 3.32Å; E460-S1979 WeakPolarHBondContact OE2-CB 3.45Å; E460-S1979 PolarHBondContact OE2-OG 3.41Å; E460-S1979 VanDerWaalsContact OE2-OG 3.05Å
461L60.4Low57.5Low108 Ų108119.1 Ų119.157%0.56564%0.64SS**Hα-helixtrans-72.6-18.5-171.9-136.9153.6000113A459A459-L461 PolarHBondContact O-N 2.97Å
462K64.4Low56.9Low137 Ų137121.2 Ų121.260%0.59665%0.651SS**Hα-helixtrans-74.7-26.1173.6-74.3169-176.5153.30112.9E458 E460 K464E458-K462 IonicContact OE2-NZ 3.16Å; E458-K462 PolarHBondContact OE2-NZ 3.18Å; E460-K462 VanDerWaalsContact C-N 3.26Å; E460-K462 PolarHBondContact O-N 2.92Å; K462-K464 VanDerWaalsContact C-N 3.31Å; K462-K464 PolarHBondContact O-N 3.34Å
463A61.1Low56.3Low93 Ų93125 Ų12577%0.76966%0.657SS**THydrogen-bonded Turntrans-74.6-12.7-173.300000115.1E460E460-A463 PolarHBondContact O-N 2.95Å
464K56.1Low56.3Low116 Ų116121.7 Ų121.750%0.50466%0.655SS.*THydrogen-bonded Turntrans-105.37.1-160.6-124179.9173.9-175.60116.9K462 S1976 P1977K462-K464 VanDerWaalsContact C-N 3.31Å; K462-K464 PolarHBondContact O-N 3.34Å; K464-S1976 WeakPolarHBondContact CE-O 3.44Å; K464-S1976 PolarHBondContact NZ-O 2.82Å; K464-P1977 VanDerWaalsContact CE-O 3.29Å; K464-P1977 WeakPolarHBondContact CE-O 3.48Å; K464-P1977 PolarHBondContact NZ-O 3.16Å
465R51.9Low56.3Low185 Ų185122.4 Ų122.470%0.69866%0.659SS**  trans-100.8-10.5-162-79.1-172.1179.11496.4118.7F467R465-F467 PolarHBondContact O-N 2.7Å
466N42.7Very low55.9Low159 Ų159120.7 Ų120.785%0.8565%0.649SS**  trans-96.134.6-156.4-67.42.7000116.8
467F43.7Very low56.1Low186 Ų186119.1 Ų119.182%0.81664%0.637SS**  trans-155.991.9179.6-150.2-98.3000116.8R465R465-F467 PolarHBondContact O-N 2.7Å
468K39.3Very low56.7Low188 Ų188124.5 Ų124.582%0.81765%0.652SS**  trans177.2131.7131.6-99.3168.3-177.9-179.10114.9
469I51Low57.3Low160 Ų160123 Ų12382%0.82165%0.645SS**  trans-12.1123.2166.2-44.9174.4000118
470P44.1Very low57.6Low126 Ų126123.9 Ų123.982%0.81864%0.637SS**  trans-86.5144.8164.134.8-32.3000112.6
471G55.6Low58.3Low66 Ų66127.4 Ų127.468%0.6865%0.648SS**SBendtrans149.4-43.5166.700000115.8E473G471-E473 VanDerWaalsContact C-N 3.34Å; G471-E473 PolarHBondContact O-N 2.63Å
472S56.4Low59.1Low104 Ų104127.6 Ų127.673%0.72764%0.644SS**THydrogen-bonded Turntrans-74.6-16.5-171.3-173.50000115.3A474S472-A474 PolarHBondContact O-N 2.93Å
473E56Low60Low140 Ų140125.3 Ų125.365%0.65463%0.632SS**Hα-helixtrans-72.8-33.4-164.1-58.5-167.2142.200113.8G471 L475 F476 Q477G471-E473 VanDerWaalsContact C-N 3.34Å; G471-E473 PolarHBondContact O-N 2.63Å; E473-L475 PolarHBondContact O-N 3.16Å; E473-F476 PolarHBondContact O-N 2.99Å; E473-Q477 WeakPolarHBondContact O-CB 3.48Å; E473-Q477 VanDerWaalsContact O-CG 3.32Å; E473-Q477 WeakPolarHBondContact O-CG 3.37Å; E473-Q477 PolarHBondContact O-N 3.46Å
474A61Low60.7Low74 Ų74122.8 Ų122.861%0.61260%0.603SS**Hα-helixtrans-63.5-46.3-172.300000113.2S472 Q477 Y478S472-A474 PolarHBondContact O-N 2.93Å; A474-Q477 PolarHBondContact O-N 3.39Å; A474-Y478 PolarHBondContact O-N 2.93Å
475L63.5Low61.9Low144 Ų144120 Ų12075%0.75460%0.603SS**Hα-helixtrans-65.5-39.8177-89.3168.9000112E473 Y478 H479E473-L475 PolarHBondContact O-N 3.16Å; L475-Y478 PolarHBondContact O-N 3.37Å; L475-H479 WeakPolarHBondContact O-CB 3.47Å; L475-H479 PolarHBondContact O-N 3.48Å
476F61.3Low63.4Low125 Ų125112.2 Ų112.255%0.54858%0.575SS.*Hα-helixtrans-66.5-40.1178.2-172.8-114.8000112.1E473 K480E473-F476 PolarHBondContact O-N 2.99Å; F476-K480 HydrophobicContact CE1-CD 4.29Å; F476-K480 PolarHBondContact O-N 2.7Å
477Q65.1Low65.3Low96 Ų96105.6 Ų105.645%0.44954%0.538SS..Hα-helixtrans-64.1-40.7172.2-71.7178.622.500112E473 A474 K480 R481E473-Q477 WeakPolarHBondContact O-CB 3.48Å; E473-Q477 VanDerWaalsContact O-CG 3.32Å; E473-Q477 WeakPolarHBondContact O-CG 3.37Å; E473-Q477 PolarHBondContact O-N 3.46Å; A474-Q477 PolarHBondContact O-N 3.39Å; Q477-K480 PolarHBondContact O-N 2.81Å; Q477-R481 WeakPolarHBondContact O-CG 3.29Å; Q477-R481 PolarHBondContact O-N 2.98Å
478Y68.4Low67.2Low160 Ų160104.5 Ų104.563%0.62753%0.529SS*.Hα-helixtrans-64.8-46.8176.7-171.7-95.3000112.2A474 L475 K480 R481 F482A474-Y478 PolarHBondContact O-N 2.93Å; L475-Y478 PolarHBondContact O-N 3.37Å; Y478-K480 VanDerWaalsContact C-N 3.34Å; Y478-K480 PolarHBondContact O-N 2.81Å; Y478-R481 WeakPolarHBondContact O-CB 3.34Å; Y478-R481 PolarHBondContact O-N 3.45Å; Y478-R481 VanDerWaalsContact O-N 3.14Å; Y478-F482 PolarHBondContact O-N 3.28Å
479H74.8Confident69.4Low98 Ų9899.8 Ų99.845%0.45451%0.512SS..Hα-helixtrans-59.8-42.6176.5-177.9-110.7000112L475 F482 R483 Y545L475-H479 WeakPolarHBondContact O-CB 3.47Å; L475-H479 PolarHBondContact O-N 3.48Å; H479-F482 PolarHBondContact O-N 3.1Å; H479-R483 PolarHBondContact O-N 3.1Å; H479-R483 VanDerWaalsContact O-N 3.09Å; H479-Y545 PolarHBondContact CD2-OH 2.87Å; H479-Y545 AromaticContact NE2-CE2 3.56Å; H479-Y545 AromaticContact NE2-CZ 3.72Å; H479-Y545 PolarHBondContact NE2-OH 3.12Å
480K72.8Confident71Confident83 Ų8393.2 Ų93.236%0.36148%0.478SS..Hα-helixtrans-55.6-54.9169.9-85.1-172.3173.7-172.30111.3F476 Q477 Y478 F482 R483 F484F476-K480 HydrophobicContact CE1-CD 4.29Å; F476-K480 PolarHBondContact O-N 2.7Å; Q477-K480 PolarHBondContact O-N 2.81Å; Y478-K480 VanDerWaalsContact C-N 3.34Å; Y478-K480 PolarHBondContact O-N 2.81Å; K480-F482 VanDerWaalsContact C-N 3.33Å; K480-F482 PolarHBondContact O-N 3.28Å; K480-R483 PolarHBondContact O-N 3.27Å; K480-R483 VanDerWaalsContact O-N 3.15Å; K480-F484 HydrophobicContact CB-CD2 4.34Å; K480-F484 HydrophobicContact CB-CE2 4.01Å; K480-F484 HydrophobicContact CG-CE2 4.35Å; K480-F484 WeakPolarHBondContact O-CD2 3.35Å; K480-F484 PolarHBondContact O-N 2.77Å
481R74Confident72.8Confident128 Ų12891 Ų9148%0.48346%0.456SS..Hα-helixtrans-54.5-45.1-178.9-74.9174.1-178.3-163.21112.5Q477 Y478 F484 A485Q477-R481 WeakPolarHBondContact O-CG 3.29Å; Q477-R481 PolarHBondContact O-N 2.98Å; Y478-R481 WeakPolarHBondContact O-CB 3.34Å; Y478-R481 PolarHBondContact O-N 3.45Å; Y478-R481 VanDerWaalsContact O-N 3.14Å; R481-F484 PolarHBondContact O-N 2.9Å; R481-A485 PolarHBondContact O-N 3.06Å
482F78.7Confident74.2Confident112 Ų11289.7 Ų89.749%0.49144%0.436SS..Hα-helixtrans-64.4-44.2178.3-172.3-113.8000112Y478 H479 K480 F484 A485 V486 Y545Y478-F482 PolarHBondContact O-N 3.28Å; H479-F482 PolarHBondContact O-N 3.1Å; K480-F482 VanDerWaalsContact C-N 3.33Å; K480-F482 PolarHBondContact O-N 3.28Å; F482-F484 VanDerWaalsContact C-N 3.33Å; F482-F484 PolarHBondContact O-N 3.44Å; F482-A485 PolarHBondContact O-N 3.3Å; F482-V486 HydrophobicContact CD1-CG2 4.38Å; F482-V486 HydrophobicContact CE1-CG2 4.01Å; F482-V486 HydrophobicContact CE2-CG2 4.25Å; F482-V486 HydrophobicContact CZ-CG2 3.94Å; F482-V486 WeakPolarHBondContact O-CG2 3.28Å; F482-V486 PolarHBondContact O-N 3.46Å; F482-Y545 AromaticContact CD1-CE1 3.64Å; F482-Y545 HydrophobicContact CD1-CE1 3.64Å; F482-Y545 AromaticContact CD1-CZ 3.95Å; F482-Y545 AromaticContact CE1-CE1 3.93Å; F482-Y545 HydrophobicContact CE1-CE1 3.93Å
483R82.1Confident75.4Confident88 Ų8887.5 Ų87.533%0.33241%0.414SS..Hα-helixtrans-59.6-39.5175.1-170174.5174.9-147-9113H479 K480 R487 Y545 L547 G548H479-R483 PolarHBondContact O-N 3.1Å; H479-R483 VanDerWaalsContact O-N 3.09Å; K480-R483 PolarHBondContact O-N 3.27Å; K480-R483 VanDerWaalsContact O-N 3.15Å; R483-R487 WeakPolarHBondContact O-CB 3.41Å; R483-R487 PolarHBondContact O-N 2.73Å; R483-Y545 HydrophobicContact CB-CE1 3.95Å; R483-Y545 HydrophobicContact CG-CE1 4.21Å; R483-Y545 WeakPolarHBondContact CG-O 3.35Å; R483-Y545 PolarHBondContact NE-O 3.36Å; R483-L547 PolarHBondContact NH2-O 2.78Å; R483-G548 VanDerWaalsContact NH2-CA 3.32Å
484F75.4Confident76.9Confident40 Ų4088.9 Ų88.918%0.17542%0.418CS..Hα-helixtrans-69.5-38.1174.9-69.1-65.4000113.1E411 L415 K480 R481 F482 R487 R488E411-F484 WeakPolarHBondContact OE1-CZ 3.35Å; L415-F484 HydrophobicContact CD1-CD2 3.96Å; L415-F484 HydrophobicContact CD1-CE1 4.03Å; L415-F484 HydrophobicContact CD1-CE2 3.28Å; L415-F484 HydrophobicContact CD1-CZ 3.32Å; K480-F484 HydrophobicContact CB-CD2 4.34Å; K480-F484 HydrophobicContact CB-CE2 4.01Å; K480-F484 HydrophobicContact CG-CE2 4.35Å; K480-F484 WeakPolarHBondContact O-CD2 3.35Å; K480-F484 PolarHBondContact O-N 2.77Å; R481-F484 PolarHBondContact O-N 2.9Å; F482-F484 VanDerWaalsContact C-N 3.33Å; F482-F484 PolarHBondContact O-N 3.44Å; F484-R487 PolarHBondContact O-N 2.65Å; F484-R488 WeakPolarHBondContact O-CB 3.19Å; F484-R488 PolarHBondContact O-N 2.84Å
485A81.8Confident78.1Confident59 Ų5987.1 Ų87.149%0.48840%0.397SS..Hα-helixtrans-61.2-45173.700000111.6R481 F482 R488 L489R481-A485 PolarHBondContact O-N 3.06Å; F482-A485 PolarHBondContact O-N 3.3Å; A485-R488 PolarHBondContact O-N 3.49Å; A485-L489 PolarHBondContact O-N 3.08Å
486V84.7Confident78.9Confident20 Ų2082.6 Ų82.612%0.12137%0.37CS..Hα-helixtrans-63.5-45.4174.8174.80000111.2F482 R488 L489 I490 I542 Y545F482-V486 HydrophobicContact CD1-CG2 4.38Å; F482-V486 HydrophobicContact CE1-CG2 4.01Å; F482-V486 HydrophobicContact CE2-CG2 4.25Å; F482-V486 HydrophobicContact CZ-CG2 3.94Å; F482-V486 WeakPolarHBondContact O-CG2 3.28Å; F482-V486 PolarHBondContact O-N 3.46Å; V486-R488 VanDerWaalsContact C-N 3.29Å; V486-R488 PolarHBondContact O-N 2.97Å; V486-L489 WeakPolarHBondContact O-CB 3.4Å; V486-L489 PolarHBondContact O-N 3.36Å; V486-L489 VanDerWaalsContact O-N 3.13Å; V486-I490 HydrophobicContact CG1-CD1 3.72Å; V486-I490 HydrophobicContact CG1-CG1 4.46Å; V486-I490 WeakPolarHBondContact O-CD1 3.34Å; V486-I490 WeakPolarHBondContact O-CG1 3.25Å; V486-I490 PolarHBondContact O-N 3.08Å; V486-I542 HydrophobicContact CG1-CG2 3.99Å; V486-Y545 HydrophobicContact CB-CD1 4.26Å; V486-Y545 HydrophobicContact CG1-CD1 4.15Å; V486-Y545 HydrophobicContact CG2-CD1 4.27Å; V486-Y545 HydrophobicContact CG2-CE1 4.31Å
487R82.6Confident79.9Confident20 Ų2080.4 Ų80.48%0.07536%0.363CS..Hα-helixtrans-56.4-41175.3-171.8-176.8-81.5-173.9-12.9112.3E411 R483 F484 I490 K491 G546 L547E411-R487 IonicContact OE2-NH1 2.63Å; E411-R487 PolarHBondContact OE2-NH1 3.02Å; R483-R487 WeakPolarHBondContact O-CB 3.41Å; R483-R487 PolarHBondContact O-N 2.73Å; F484-R487 PolarHBondContact O-N 2.65Å; R487-I490 PolarHBondContact O-N 3.09Å; R487-K491 PolarHBondContact O-N 3Å; R487-K491 VanDerWaalsContact O-N 3.09Å; R487-G546 PolarHBondContact NE-O 3.08Å; R487-L547 PolarHBondContact NH2-O 3.28Å
488R81.9Confident80.9Confident163 Ų16380.7 Ų80.762%0.61537%0.367SS*.Hα-helixtrans-68.5-35.8176.9-176.2172-70.3-179.9-0.6112.8E412 F484 A485 V486 S492E412-R488 IonicContact OE2-CZ 3.65Å; E412-R488 IonicContact OE2-NE 2.73Å; E412-R488 IonicContact OE2-NH2 2.77Å; E412-R488 PolarHBondContact OE2-NH2 3.46Å; F484-R488 WeakPolarHBondContact O-CB 3.19Å; F484-R488 PolarHBondContact O-N 2.84Å; A485-R488 PolarHBondContact O-N 3.49Å; V486-R488 VanDerWaalsContact C-N 3.29Å; V486-R488 PolarHBondContact O-N 2.97Å; R488-S492 PolarHBondContact O-N 2.93Å
489L86.2Confident81.6Confident89 Ų8973.5 Ų73.547%0.46634%0.34SS..Hα-helixtrans-64.8-46.2173.9-174.4153.4000111A485 V486 K491 S492 F495A485-L489 PolarHBondContact O-N 3.08Å; V486-L489 WeakPolarHBondContact O-CB 3.4Å; V486-L489 PolarHBondContact O-N 3.36Å; V486-L489 VanDerWaalsContact O-N 3.13Å; L489-K491 PolarHBondContact O-N 3.42Å; L489-S492 VanDerWaalsContact O-CB 3.28Å; L489-S492 WeakPolarHBondContact O-CB 3.47Å; L489-S492 PolarHBondContact O-N 3.09Å; L489-S492 VanDerWaalsContact O-N 3.08Å; L489-S492 PolarHBondContact O-OG 2.92Å; L489-F495 HydrophobicContact CD2-CB 4.19Å; L489-F495 HydrophobicContact CD2-CD2 3.46Å; L489-F495 VanDerWaalsContact CD2-CD2 3.46Å; L489-F495 HydrophobicContact CD2-CE2 3.97Å; L489-F495 HydrophobicContact CD2-CG 3.9Å; L489-F495 VanDerWaalsContact O-CB 3.29Å; L489-F495 WeakPolarHBondContact O-CB 3.38Å
490I85.6Confident81.9Confident22 Ų2270.2 Ų70.211%0.11333%0.325CS..Hα-helixtrans-62.1-42.2178.9-64.5152.9000112.2V486 R487 S492 F495 I542 K543V486-I490 HydrophobicContact CG1-CD1 3.72Å; V486-I490 HydrophobicContact CG1-CG1 4.46Å; V486-I490 WeakPolarHBondContact O-CD1 3.34Å; V486-I490 WeakPolarHBondContact O-CG1 3.25Å; V486-I490 PolarHBondContact O-N 3.08Å; R487-I490 PolarHBondContact O-N 3.09Å; I490-S492 PolarHBondContact O-N 2.75Å; I490-F495 HydrophobicContact CG1-CE1 4.49Å; I490-F495 HydrophobicContact CG2-CE1 4.42Å; I490-I542 HydrophobicContact CD1-CG2 3.76Å; I490-I542 WeakPolarHBondContact CD1-O 3.49Å; I490-I542 HydrophobicContact CG1-CG2 3.58Å; I490-K543 HydrophobicContact CG2-CG 4.18Å
491K80.5Confident82.4Confident81 Ų8170 Ų7035%0.35233%0.331SS..THydrogen-bonded Turntrans-75.36.4176.1-90.1-168.7165.4-176.70113.6D405 R487 L489 L2109D405-K491 IonicContact OD1-NZ 3.9Å; D405-K491 PolarHBondContact OD1-NZ 3.41Å; R487-K491 PolarHBondContact O-N 3Å; R487-K491 VanDerWaalsContact O-N 3.09Å; L489-K491 PolarHBondContact O-N 3.42Å; K491-L2109 VanDerWaalsContact NZ-CD1 3.32Å
492S84.9Confident83.1Confident38 Ų3866 Ų6627%0.26632%0.319SS..SBendtrans-89.8138.7-180790000113.2R488 L489 I490 K494 F495 Y496R488-S492 PolarHBondContact O-N 2.93Å; L489-S492 VanDerWaalsContact O-CB 3.28Å; L489-S492 WeakPolarHBondContact O-CB 3.47Å; L489-S492 PolarHBondContact O-N 3.09Å; L489-S492 VanDerWaalsContact O-N 3.08Å; L489-S492 PolarHBondContact O-OG 2.92Å; I490-S492 PolarHBondContact O-N 2.75Å; S492-K494 PolarHBondContact O-N 2.93Å; S492-K494 VanDerWaalsContact O-N 3.16Å; S492-F495 PolarHBondContact O-N 3.29Å; S492-F495 PolarHBondContact OG-N 2.95Å; S492-Y496 PolarHBondContact O-N 2.79Å
493Q83Confident83.2Confident57 Ų5760.9 Ų60.927%0.26630%0.297SS..Hα-helixtrans-55.4-32.4175.4-173.168.4-4.100112.5Y496 I497 P2113Q493-Y496 WeakPolarHBondContact O-CB 3.33Å; Q493-Y496 PolarHBondContact O-N 2.91Å; Q493-I497 HydrophobicContact CG-CD1 4.13Å; Q493-I497 HydrophobicContact CG-CG1 4.45Å; Q493-I497 WeakPolarHBondContact O-CG1 3.26Å; Q493-I497 PolarHBondContact O-N 2.97Å; Q493-P2113 VanDerWaalsContact CD-CD 3.48Å; Q493-P2113 PolarHBondContact NE2-O 3.28Å
494K86.1Confident83.2Confident169 Ų16960.1 Ų60.174%0.73530%0.299SS*.Hα-helixtrans-67.6-46.7179.8-65-166.8176.3-168.40112.7S492 Y496 I497 I498S492-K494 PolarHBondContact O-N 2.93Å; S492-K494 VanDerWaalsContact O-N 3.16Å; K494-Y496 VanDerWaalsContact C-N 3.28Å; K494-Y496 PolarHBondContact O-N 2.7Å; K494-I497 PolarHBondContact O-N 2.99Å; K494-I498 WeakPolarHBondContact O-CD1 3.46Å; K494-I498 VanDerWaalsContact O-CG1 3.28Å; K494-I498 WeakPolarHBondContact O-CG1 3.22Å; K494-I498 PolarHBondContact O-N 2.98Å; K494-I498 VanDerWaalsContact O-N 3.12Å
495F86.9Confident83.7Confident37 Ų3762.5 Ų62.516%0.16231%0.313CS..Hα-helixtrans-60.4-42.4175177.8-101.8000111.1L489 I490 S492 I498 V499 E539 I542L489-F495 HydrophobicContact CD2-CB 4.19Å; L489-F495 HydrophobicContact CD2-CD2 3.46Å; L489-F495 VanDerWaalsContact CD2-CD2 3.46Å; L489-F495 HydrophobicContact CD2-CE2 3.97Å; L489-F495 HydrophobicContact CD2-CG 3.9Å; L489-F495 VanDerWaalsContact O-CB 3.29Å; L489-F495 WeakPolarHBondContact O-CB 3.38Å; I490-F495 HydrophobicContact CG1-CE1 4.49Å; I490-F495 HydrophobicContact CG2-CE1 4.42Å; S492-F495 PolarHBondContact O-N 3.29Å; S492-F495 PolarHBondContact OG-N 2.95Å; F495-I498 PolarHBondContact O-N 2.93Å; F495-V499 HydrophobicContact CE1-CG2 4.19Å; F495-V499 HydrophobicContact CZ-CG2 4.24Å; F495-V499 WeakPolarHBondContact O-CG2 3.33Å; F495-V499 PolarHBondContact O-N 3.15Å; F495-V499 VanDerWaalsContact O-N 3.08Å; F495-E539 HydrophobicContact CE1-CG 4.43Å; F495-E539 HydrophobicContact CZ-CG 3.97Å; F495-I542 HydrophobicContact CZ-CG2 4.42Å
496Y79Confident83.9Confident50 Ų5060.1 Ų60.120%0.19629%0.292CS..Hα-helixtrans-58.4-46.8174.7157.9-71.7000112.8S492 Q493 K494 I498 V499 I500 Y602S492-Y496 PolarHBondContact O-N 2.79Å; Q493-Y496 WeakPolarHBondContact O-CB 3.33Å; Q493-Y496 PolarHBondContact O-N 2.91Å; K494-Y496 VanDerWaalsContact C-N 3.28Å; K494-Y496 PolarHBondContact O-N 2.7Å; Y496-I498 PolarHBondContact O-N 2.67Å; Y496-V499 PolarHBondContact O-N 3.4Å; Y496-I500 HydrophobicContact CD1-CD1 3.8Å; Y496-I500 HydrophobicContact CE1-CD1 3.51Å; Y496-I500 HydrophobicContact CG-CD1 4.36Å; Y496-I500 WeakPolarHBondContact O-CG1 3.37Å; Y496-I500 PolarHBondContact O-N 2.82Å; Y496-Y602 AromaticContact CD2-CE1 3.95Å; Y496-Y602 HydrophobicContact CD2-CE1 3.95Å; Y496-Y602 AromaticContact CE2-CD1 3.44Å; Y496-Y602 HydrophobicContact CE2-CD1 3.44Å; Y496-Y602 VanDerWaalsContact CE2-CD1 3.44Å; Y496-Y602 HydrophobicContact CE2-CD2 4.49Å; Y496-Y602 AromaticContact CE2-CE1 3.09Å; Y496-Y602 HydrophobicContact CE2-CE1 3.09Å; Y496-Y602 HydrophobicContact CE2-CE2 4.21Å; Y496-Y602 HydrophobicContact CE2-CG 4.15Å; Y496-Y602 AromaticContact CE2-CZ 3.51Å; Y496-Y602 AromaticContact CZ-CD1 3.58Å; Y496-Y602 AromaticContact CZ-CE1 3.64Å; Y496-Y602 AromaticContact CZ-CG 3.83Å; Y496-Y602 AromaticContact CZ-CZ 3.89Å; Y496-Y602 WeakPolarHBondContact OH-CB 3.41Å; Y496-Y602 WeakPolarHBondContact OH-CD1 3.31Å
497I82.8Confident83.7Confident78 Ų7859.5 Ų59.540%0.429%0.289SS..Hα-helixtrans-64.1-45.4179.3-71.7172.4000109.8Q493 K494 V499 I500 T501Q493-I497 HydrophobicContact CG-CD1 4.13Å; Q493-I497 HydrophobicContact CG-CG1 4.45Å; Q493-I497 WeakPolarHBondContact O-CG1 3.26Å; Q493-I497 PolarHBondContact O-N 2.97Å; K494-I497 PolarHBondContact O-N 2.99Å; I497-V499 VanDerWaalsContact C-N 3.3Å; I497-V499 PolarHBondContact O-N 2.64Å; I497-I500 PolarHBondContact O-N 3.18Å; I497-T501 PolarHBondContact O-N 3.42Å; I497-T501 PolarHBondContact O-OG1 3.41Å
498I87.1Confident83.8Confident102 Ų10263.8 Ų63.852%0.52331%0.313SS..Hα-helixtrans-56.1-44.5178.5-68163.3000111.1K494 F495 Y496 I500 T501 L502K494-I498 WeakPolarHBondContact O-CD1 3.46Å; K494-I498 VanDerWaalsContact O-CG1 3.28Å; K494-I498 WeakPolarHBondContact O-CG1 3.22Å; K494-I498 PolarHBondContact O-N 2.98Å; K494-I498 VanDerWaalsContact O-N 3.12Å; F495-I498 PolarHBondContact O-N 2.93Å; Y496-I498 PolarHBondContact O-N 2.67Å; I498-I500 VanDerWaalsContact C-N 3.34Å; I498-I500 PolarHBondContact O-N 2.82Å; I498-T501 PolarHBondContact O-N 2.76Å; I498-L502 HydrophobicContact CG2-CD1 4.06Å; I498-L502 VanDerWaalsContact O-CG 3.32Å; I498-L502 WeakPolarHBondContact O-CG 3.16Å; I498-L502 PolarHBondContact O-N 2.77Å
499V83.2Confident83.9Confident10 Ų1056.9 Ų56.96%0.06129%0.289CS..Hα-helixtrans-62.3-38.7176.5168.10000112.1F495 Y496 I497 V503 E539 K598F495-V499 HydrophobicContact CE1-CG2 4.19Å; F495-V499 HydrophobicContact CZ-CG2 4.24Å; F495-V499 WeakPolarHBondContact O-CG2 3.33Å; F495-V499 PolarHBondContact O-N 3.15Å; F495-V499 VanDerWaalsContact O-N 3.08Å; Y496-V499 PolarHBondContact O-N 3.4Å; I497-V499 VanDerWaalsContact C-N 3.3Å; I497-V499 PolarHBondContact O-N 2.64Å; V499-V503 WeakPolarHBondContact O-CG2 3.39Å; V499-V503 PolarHBondContact O-N 2.64Å; V499-V503 VanDerWaalsContact O-N 3.07Å; V499-E539 WeakPolarHBondContact CG1-OE1 3.05Å; V499-E539 HydrophobicContact CG2-CG 3.99Å; V499-K598 HydrophobicContact CG1-CD 3.87Å
500I79.5Confident83.8Confident29 Ų2953.7 Ų53.715%0.14927%0.273CS..Hα-helixtrans-67.9-45178-61.5162.6000110.6Y496 I497 I498 L502 V503 L504 I599 Y602Y496-I500 HydrophobicContact CD1-CD1 3.8Å; Y496-I500 HydrophobicContact CE1-CD1 3.51Å; Y496-I500 HydrophobicContact CG-CD1 4.36Å; Y496-I500 WeakPolarHBondContact O-CG1 3.37Å; Y496-I500 PolarHBondContact O-N 2.82Å; I497-I500 PolarHBondContact O-N 3.18Å; I498-I500 VanDerWaalsContact C-N 3.34Å; I498-I500 PolarHBondContact O-N 2.82Å; I500-L502 VanDerWaalsContact C-N 3.33Å; I500-L502 PolarHBondContact O-N 3.23Å; I500-V503 PolarHBondContact O-N 3.03Å; I500-L504 HydrophobicContact CG2-CD1 4.2Å; I500-L504 PolarHBondContact O-N 3.36Å; I500-I599 HydrophobicContact CG2-CG1 4.34Å; I500-Y602 HydrophobicContact CD1-CD2 3.81Å; I500-Y602 HydrophobicContact CD1-CE2 3.27Å; I500-Y602 HydrophobicContact CG1-CE2 3.67Å
501T85.2Confident83.8Confident78 Ų7853.8 Ų53.848%0.47928%0.276SS..Hα-helixtrans-60.2-42.9176.4-54.60000111.3I497 I498 V503 L504 L505I497-T501 PolarHBondContact O-N 3.42Å; I497-T501 PolarHBondContact O-OG1 3.41Å; I498-T501 PolarHBondContact O-N 2.76Å; T501-V503 VanDerWaalsContact C-N 3.34Å; T501-V503 PolarHBondContact O-N 3.45Å; T501-L504 PolarHBondContact O-N 3.41Å; T501-L505 WeakPolarHBondContact O-CB 3.25Å; T501-L505 PolarHBondContact O-N 2.94Å
502L87.4Confident84.2Confident45 Ų4553.4 Ų53.424%0.23628%0.28CS..Hα-helixtrans-62.1-38.2175.3-73.3171.5000112.8I498 I500 N506 F532 L535 F536I498-L502 HydrophobicContact CG2-CD1 4.06Å; I498-L502 VanDerWaalsContact O-CG 3.32Å; I498-L502 WeakPolarHBondContact O-CG 3.16Å; I498-L502 PolarHBondContact O-N 2.77Å; I500-L502 VanDerWaalsContact C-N 3.33Å; I500-L502 PolarHBondContact O-N 3.23Å; L502-N506 WeakPolarHBondContact O-CB 3.44Å; L502-N506 PolarHBondContact O-N 3.24Å; L502-F532 HydrophobicContact CD2-CE1 4.45Å; L502-L535 HydrophobicContact CD1-CD1 4.49Å; L502-L535 HydrophobicContact CD2-CD1 3.94Å; L502-F536 HydrophobicContact CB-CE1 4.31Å; L502-F536 HydrophobicContact CB-CZ 4.35Å
503V82Confident84.2Confident3 Ų352.7 Ų52.72%0.01827%0.273CS..Hα-helixtrans-66.8-44175.51640000112.2V499 I500 T501 N506 A507 F536 R595 K598V499-V503 WeakPolarHBondContact O-CG2 3.39Å; V499-V503 PolarHBondContact O-N 2.64Å; V499-V503 VanDerWaalsContact O-N 3.07Å; I500-V503 PolarHBondContact O-N 3.03Å; T501-V503 VanDerWaalsContact C-N 3.34Å; T501-V503 PolarHBondContact O-N 3.45Å; V503-N506 PolarHBondContact O-N 2.65Å; V503-A507 WeakPolarHBondContact O-CB 3.47Å; V503-A507 PolarHBondContact O-N 2.94Å; V503-F536 HydrophobicContact CG2-CE1 3.72Å; V503-F536 HydrophobicContact CG2-CZ 3.73Å; V503-R595 HydrophobicContact CB-CB 4.43Å; V503-R595 VanDerWaalsContact CG1-C 3.5Å; V503-R595 HydrophobicContact CG1-CB 3.8Å; V503-R595 WeakPolarHBondContact CG1-O 3.04Å; V503-R595 HydrophobicContact CG2-CB 3.77Å; V503-K598 HydrophobicContact CG2-CD 4.25Å
504L80.9Confident84.6Confident73 Ų7353.9 Ų53.938%0.38228%0.277SS..Hα-helixtrans-65.2-41.3176.9-76.5170.3000111.7I500 T501 A507 L508 I599I500-L504 HydrophobicContact CG2-CD1 4.2Å; I500-L504 PolarHBondContact O-N 3.36Å; T501-L504 PolarHBondContact O-N 3.41Å; L504-A507 PolarHBondContact O-N 3.15Å; L504-L508 WeakPolarHBondContact O-CB 3.43Å; L504-L508 WeakPolarHBondContact O-CG 3.45Å; L504-L508 PolarHBondContact O-N 2.86Å; L504-I599 HydrophobicContact CD2-CD1 3.79Å; L504-I599 HydrophobicContact CG-CD1 4.24Å
505L87Confident84.7Confident90 Ų9049 Ų4947%0.47126%0.255SS..Hα-helixtrans-66.2-40.7178.2-146.2158.6000111.1T501 L508 C509 F532T501-L505 WeakPolarHBondContact O-CB 3.25Å; T501-L505 PolarHBondContact O-N 2.94Å; L505-L508 PolarHBondContact O-N 2.92Å; L505-C509 PolarHBondContact O-N 3.14Å; L505-C509 PolarHBondContact O-SG 2.98Å; L505-C509 VanDerWaalsContact O-SG 3.39Å; L505-F532 HydrophobicContact CB-CE1 4.47Å; L505-F532 HydrophobicContact CB-CZ 4.3Å; L505-F532 HydrophobicContact CD2-CZ 3.79Å
506N85Confident84.8Confident9 Ų950.3 Ų50.35%0.04828%0.279CS..Hα-helixtrans-59.8-46.9171.3177.5101.9000112.1L502 V503 L508 C509 V510 F532 F536L502-N506 WeakPolarHBondContact O-CB 3.44Å; L502-N506 PolarHBondContact O-N 3.24Å; V503-N506 PolarHBondContact O-N 2.65Å; N506-L508 VanDerWaalsContact C-N 3.33Å; N506-L508 PolarHBondContact O-N 3.32Å; N506-C509 PolarHBondContact O-N 3.23Å; N506-V510 WeakPolarHBondContact O-CG2 3.4Å; N506-V510 PolarHBondContact O-N 3.09Å; N506-F532 HydrophobicContact CB-CD1 3.93Å; N506-F532 HydrophobicContact CB-CD2 3.83Å; N506-F532 HydrophobicContact CB-CE1 3.97Å; N506-F532 HydrophobicContact CB-CE2 3.86Å; N506-F532 HydrophobicContact CB-CG 3.86Å; N506-F532 HydrophobicContact CB-CZ 3.93Å; N506-F532 WeakPolarHBondContact OD1-CB 3.3Å; N506-F532 VanDerWaalsContact OD1-CD2 3.22Å; N506-F532 WeakPolarHBondContact OD1-CD2 3.35Å; N506-F532 WeakPolarHBondContact OD1-CG 3.28Å; N506-F536 HydrophobicContact CB-CE2 4.42Å
507A80.3Confident85.2Confident7 Ų749.8 Ų49.86%0.05828%0.278CS..Hα-helixtrans-63-39.3178.400000112.2V503 L504 S511 L593 I596V503-A507 WeakPolarHBondContact O-CB 3.47Å; V503-A507 PolarHBondContact O-N 2.94Å; L504-A507 PolarHBondContact O-N 3.15Å; A507-S511 WeakPolarHBondContact O-CB 3.43Å; A507-S511 PolarHBondContact O-N 2.94Å; A507-S511 PolarHBondContact O-OG 3.36Å; A507-L593 HydrophobicContact CB-CD2 4.06Å; A507-I596 HydrophobicContact CB-CD1 4.32Å
508L84.6Confident85.7Confident110 Ų11048.7 Ų48.758%0.57628%0.276SS*.Hα-helixtrans-63.2-45174.5-75.3168.8000112L504 L505 N506 V510 S511 V512L504-L508 WeakPolarHBondContact O-CB 3.43Å; L504-L508 WeakPolarHBondContact O-CG 3.45Å; L504-L508 PolarHBondContact O-N 2.86Å; L505-L508 PolarHBondContact O-N 2.92Å; N506-L508 VanDerWaalsContact C-N 3.33Å; N506-L508 PolarHBondContact O-N 3.32Å; L508-V510 PolarHBondContact O-N 3.22Å; L508-S511 WeakPolarHBondContact CA-OG 3.45Å; L508-S511 PolarHBondContact O-N 2.8Å; L508-S511 PolarHBondContact O-OG 3.04Å; L508-V512 WeakPolarHBondContact O-CG2 3.48Å; L508-V512 PolarHBondContact O-N 3.02Å
509C85.5Confident85.8Confident17 Ų1746.1 Ų46.112%0.11527%0.274CS..Hα-helixtrans-55.6-51.2176-73.70000112L505 N506 S511 V512 L525 F532L505-C509 PolarHBondContact O-N 3.14Å; L505-C509 PolarHBondContact O-SG 2.98Å; L505-C509 VanDerWaalsContact O-SG 3.39Å; N506-C509 PolarHBondContact O-N 3.23Å; C509-S511 VanDerWaalsContact C-N 3.29Å; C509-S511 PolarHBondContact O-N 3.15Å; C509-V512 PolarHBondContact O-N 3.1Å; C509-L525 HydrophobicContact CB-CD2 3.93Å; C509-L525 WeakPolarHBondContact O-CD2 3.49Å; C509-F532 HydrophobicContact CB-CE2 4.27Å
510V82.4Confident86.4Confident22 Ų2253.9 Ų53.913%0.13330%0.303CS..Hα-helixtrans-65.6-33.2-179.3-172.80000111.7N506 L508 V512 E513 L593 I1013 Q1017N506-V510 WeakPolarHBondContact O-CG2 3.4Å; N506-V510 PolarHBondContact O-N 3.09Å; L508-V510 PolarHBondContact O-N 3.22Å; V510-V512 PolarHBondContact O-N 3.08Å; V510-V512 VanDerWaalsContact O-N 3.11Å; V510-E513 PolarHBondContact O-N 3.41Å; V510-L593 HydrophobicContact CB-CD2 4.28Å; V510-I1013 HydrophobicContact CG1-CG2 3.67Å; V510-Q1017 VanDerWaalsContact CG1-NE2 3.26Å
511S85.4Confident86.9Confident25 Ų2553.1 Ų53.118%0.17530%0.299CS..THydrogen-bonded Turntrans-69.7-3.7177.471.30000115.7A507 L508 C509A507-S511 WeakPolarHBondContact O-CB 3.43Å; A507-S511 PolarHBondContact O-N 2.94Å; A507-S511 PolarHBondContact O-OG 3.36Å; L508-S511 WeakPolarHBondContact CA-OG 3.45Å; L508-S511 PolarHBondContact O-N 2.8Å; L508-S511 PolarHBondContact O-OG 3.04Å; C509-S511 VanDerWaalsContact C-N 3.29Å; C509-S511 PolarHBondContact O-N 3.15Å
512V89.3Confident86.9Confident72 Ų7252.5 Ų52.544%0.43630%0.295SS..THydrogen-bonded Turntrans-98.13.51781750000111.7L508 C509 V510 F514 L521L508-V512 WeakPolarHBondContact O-CG2 3.48Å; L508-V512 PolarHBondContact O-N 3.02Å; C509-V512 PolarHBondContact O-N 3.1Å; V510-V512 PolarHBondContact O-N 3.08Å; V510-V512 VanDerWaalsContact O-N 3.11Å; V512-F514 WeakPolarHBondContact O-CD1 3.22Å; V512-L521 HydrophobicContact CG1-CD1 4.18Å; V512-L521 HydrophobicContact CG1-CD2 4.01Å
513E85.4Confident87.1Confident24 Ų2455 Ų5511%0.11231%0.308CS..  trans-68130.7169.8-69.5178.4159.400111.4V510 L525 Q1017V510-E513 PolarHBondContact O-N 3.41Å; E513-L525 HydrophobicContact CG-CD1 3.66Å; E513-Q1017 WeakPolarHBondContact OE2-CG 3.35Å; E513-Q1017 PolarHBondContact OE2-NE2 3.44Å
514F90.6Very high87.5Confident81 Ų8160 Ų6036%0.35533%0.33SS..  trans-151.4152.9173.667.8-85.4000112.7V512 G516 Q517 L521 D1065 N1066V512-F514 WeakPolarHBondContact O-CD1 3.22Å; F514-G516 PolarHBondContact O-N 2.99Å; F514-Q517 HydrophobicContact CD1-CB 4.06Å; F514-Q517 HydrophobicContact CD2-CB 4.27Å; F514-Q517 HydrophobicContact CE1-CB 3.82Å; F514-Q517 HydrophobicContact CE2-CB 4.03Å; F514-Q517 HydrophobicContact CG-CB 4.27Å; F514-Q517 HydrophobicContact CZ-CB 3.8Å; F514-Q517 VanDerWaalsContact N-OE1 3.15Å; F514-Q517 VanDerWaalsContact O-CB 3.29Å; F514-Q517 WeakPolarHBondContact O-CB 3.35Å; F514-Q517 WeakPolarHBondContact O-CG 3.27Å; F514-Q517 PolarHBondContact O-N 3.28Å; F514-Q517 PolarHBondContact O-OE1 3.3Å; F514-L521 HydrophobicContact CE1-CD2 3.88Å; F514-D1065 WeakPolarHBondContact CA-O 3.41Å; F514-N1066 HydrophobicContact CB-CB 4.19Å
515Y89.4Confident87.8Confident68 Ų6857.4 Ų57.427%0.26732%0.316SS..THydrogen-bonded Turntrans-64.1132.5176.8168-103.2000111.9F1024 D1065 V1096 N1097Y515-F1024 HydrophobicContact CD1-CE2 4.04Å; Y515-F1024 HydrophobicContact CD1-CZ 4.27Å; Y515-F1024 AromaticContact CE1-CE2 3.48Å; Y515-F1024 HydrophobicContact CE1-CE2 3.48Å; Y515-F1024 VanDerWaalsContact CE1-CE2 3.48Å; Y515-F1024 AromaticContact CE1-CZ 3.6Å; Y515-F1024 HydrophobicContact CE1-CZ 3.6Å; Y515-F1024 HydrophobicContact CE2-CE2 4.31Å; Y515-F1024 AromaticContact CZ-CE2 3.63Å; Y515-D1065 PolarHBondContact N-O 3.43Å; Y515-V1096 HydrophobicContact CD2-CG1 4.2Å; Y515-V1096 HydrophobicContact CE2-CG1 4Å; Y515-N1097 WeakPolarHBondContact CE2-OD1 3.47Å; Y515-N1097 PolarHBondContact OH-OD1 2.97Å
516G87.8Confident87.6Confident64 Ų6458.7 Ų58.766%0.6632%0.316SS*.THydrogen-bonded Turntrans80.713.3-175.800000114.7F514F514-G516 PolarHBondContact O-N 2.99Å
517Q88.9Confident87.7Confident38 Ų3864.7 Ų64.718%0.17834%0.342CS..  trans-58.4146.4176.165.4-178.933.800113.5F514 L521 T522F514-Q517 HydrophobicContact CD1-CB 4.06Å; F514-Q517 HydrophobicContact CD2-CB 4.27Å; F514-Q517 HydrophobicContact CE1-CB 3.82Å; F514-Q517 HydrophobicContact CE2-CB 4.03Å; F514-Q517 HydrophobicContact CG-CB 4.27Å; F514-Q517 HydrophobicContact CZ-CB 3.8Å; F514-Q517 VanDerWaalsContact N-OE1 3.15Å; F514-Q517 VanDerWaalsContact O-CB 3.29Å; F514-Q517 WeakPolarHBondContact O-CB 3.35Å; F514-Q517 WeakPolarHBondContact O-CG 3.27Å; F514-Q517 PolarHBondContact O-N 3.28Å; F514-Q517 PolarHBondContact O-OE1 3.3Å; Q517-L521 HydrophobicContact CB-CD2 4.16Å; Q517-T522 PolarHBondContact NE2-OG1 3.09Å
518P93.3Very high88Confident56 Ų5665 Ų6536%0.36434%0.343SS..  trans-69.9143.7179.930.1-36.2000111.6W520 L521P518-W520 VanDerWaalsContact C-N 3.27Å; P518-W520 HydrophobicContact CG-CZ2 4.22Å; P518-W520 PolarHBondContact O-N 2.87Å; P518-W520 VanDerWaalsContact O-N 3.09Å; P518-L521 HydrophobicContact CG-CB 4.18Å; P518-L521 WeakPolarHBondContact O-CB 3.39Å; P518-L521 PolarHBondContact O-N 3.02Å
519G89.6Confident87.8Confident47 Ų4761 Ų6149%0.48532%0.322SS..Hα-helixtrans-52.3-37.9-172.900000115.4L521 T522 D523G519-L521 PolarHBondContact O-N 3.24Å; G519-L521 VanDerWaalsContact O-N 3.16Å; G519-T522 WeakPolarHBondContact O-CB 3.3Å; G519-T522 PolarHBondContact O-N 3.39Å; G519-D523 PolarHBondContact O-N 3.01Å
520W94.2Very high87.8Confident174 Ų17464.1 Ų64.166%0.65933%0.334SS*.Hα-helixtrans-59.6-28.6177.271.8-100.3000113.4P518 F524P518-W520 VanDerWaalsContact C-N 3.27Å; P518-W520 HydrophobicContact CG-CZ2 4.22Å; P518-W520 PolarHBondContact O-N 2.87Å; P518-W520 VanDerWaalsContact O-N 3.09Å; W520-F524 WeakPolarHBondContact O-CB 3.34Å; W520-F524 PolarHBondContact O-N 3.42Å
521L90.8Very high88.2Confident12 Ų1268.1 Ų68.16%0.06335%0.353CS..Hα-helixtrans-76.3-40.7176.6179.256.4000110.3V512 F514 Q517 P518 G519 F524 L525V512-L521 HydrophobicContact CG1-CD1 4.18Å; V512-L521 HydrophobicContact CG1-CD2 4.01Å; F514-L521 HydrophobicContact CE1-CD2 3.88Å; Q517-L521 HydrophobicContact CB-CD2 4.16Å; P518-L521 HydrophobicContact CG-CB 4.18Å; P518-L521 WeakPolarHBondContact O-CB 3.39Å; P518-L521 PolarHBondContact O-N 3.02Å; G519-L521 PolarHBondContact O-N 3.24Å; G519-L521 VanDerWaalsContact O-N 3.16Å; L521-F524 HydrophobicContact CD1-CD1 4.32Å; L521-F524 PolarHBondContact O-N 3.07Å; L521-L525 HydrophobicContact CD1-CD1 3.95Å; L521-L525 HydrophobicContact CD1-CG 3.98Å; L521-L525 HydrophobicContact CG-CD1 3.99Å; L521-L525 HydrophobicContact CG-CG 4.45Å; L521-L525 WeakPolarHBondContact O-CB 3.47Å; L521-L525 WeakPolarHBondContact O-CG 3.43Å; L521-L525 PolarHBondContact O-N 2.82Å
522T86.2Confident88.3Confident66 Ų6667.6 Ų67.641%0.40535%0.348SS..Hα-helixtrans-58.1-49.1171.5-52.10000111.2Q517 G519 F524 L525 Y526Q517-T522 PolarHBondContact NE2-OG1 3.09Å; G519-T522 WeakPolarHBondContact O-CB 3.3Å; G519-T522 PolarHBondContact O-N 3.39Å; T522-F524 PolarHBondContact O-N 2.87Å; T522-L525 PolarHBondContact O-N 3.32Å; T522-Y526 WeakPolarHBondContact O-CB 3.38Å; T522-Y526 PolarHBondContact O-N 3.44Å
523D90.2Very high88.1Confident97 Ų9764.7 Ų64.752%0.51933%0.33SS..Hα-helixtrans-60.9-46.1177.6-63.6-29.4000111.3G519 L525 Y526 F527G519-D523 PolarHBondContact O-N 3.01Å; D523-L525 PolarHBondContact O-N 3.05Å; D523-Y526 PolarHBondContact O-N 3.22Å; D523-F527 WeakPolarHBondContact O-CD2 3.37Å; D523-F527 PolarHBondContact O-N 3.01Å
524F91.3Very high88.3Confident109 Ų10965.4 Ų65.448%0.47834%0.343SS..Hα-helixtrans-59.7-46.7177.9172.1-100.2000112W520 L521 T522 F527 S528W520-F524 WeakPolarHBondContact O-CB 3.34Å; W520-F524 PolarHBondContact O-N 3.42Å; L521-F524 HydrophobicContact CD1-CD1 4.32Å; L521-F524 PolarHBondContact O-N 3.07Å; T522-F524 PolarHBondContact O-N 2.87Å; F524-F527 PolarHBondContact O-N 3.38Å; F524-S528 WeakPolarHBondContact O-CB 3.4Å; F524-S528 PolarHBondContact O-N 3.35Å
525L86Confident88.3Confident17 Ų1765 Ų659%0.08935%0.345CS..Hα-helixtrans-65.3-41179.6-69.6171.4000111.5C509 E513 L521 T522 D523 S528 E529C509-L525 HydrophobicContact CB-CD2 3.93Å; C509-L525 WeakPolarHBondContact O-CD2 3.49Å; E513-L525 HydrophobicContact CG-CD1 3.66Å; L521-L525 HydrophobicContact CD1-CD1 3.95Å; L521-L525 HydrophobicContact CD1-CG 3.98Å; L521-L525 HydrophobicContact CG-CD1 3.99Å; L521-L525 HydrophobicContact CG-CG 4.45Å; L521-L525 WeakPolarHBondContact O-CB 3.47Å; L521-L525 WeakPolarHBondContact O-CG 3.43Å; L521-L525 PolarHBondContact O-N 2.82Å; T522-L525 PolarHBondContact O-N 3.32Å; D523-L525 PolarHBondContact O-N 3.05Å; L525-S528 WeakPolarHBondContact O-CB 3.38Å; L525-S528 PolarHBondContact O-N 3.02Å; L525-E529 PolarHBondContact O-N 2.86Å
526Y82.7Confident88.2Confident118 Ų11861.9 Ų61.946%0.46333%0.333SS..Hα-helixtrans-58.7-50.1174.2-176.5-103.8000112T522 D523 S528 E529 F530T522-Y526 WeakPolarHBondContact O-CB 3.38Å; T522-Y526 PolarHBondContact O-N 3.44Å; D523-Y526 PolarHBondContact O-N 3.22Å; Y526-S528 PolarHBondContact O-N 3.16Å; Y526-E529 WeakPolarHBondContact O-CB 3.38Å; Y526-E529 PolarHBondContact O-N 3.1Å; Y526-F530 HydrophobicContact CD1-CE2 4.3Å; Y526-F530 HydrophobicContact CD2-CE2 4.35Å; Y526-F530 HydrophobicContact CE1-CD2 4.49Å; Y526-F530 AromaticContact CE1-CE2 3.8Å; Y526-F530 HydrophobicContact CE1-CE2 3.8Å; Y526-F530 AromaticContact CE2-CE2 3.87Å; Y526-F530 HydrophobicContact CE2-CE2 3.87Å; Y526-F530 AromaticContact CZ-CE2 3.58Å; Y526-F530 WeakPolarHBondContact O-CD2 3.47Å
527F88.5Confident88.3Confident134 Ų13461.5 Ų61.559%0.58832%0.315SS*.Hα-helixtrans-65.7-38.4175.9-72.6-61000113D523 F524 E529 F530 I531D523-F527 WeakPolarHBondContact O-CD2 3.37Å; D523-F527 PolarHBondContact O-N 3.01Å; F524-F527 PolarHBondContact O-N 3.38Å; F527-E529 VanDerWaalsContact C-N 3.26Å; F527-E529 PolarHBondContact O-N 3.44Å; F527-F530 PolarHBondContact O-N 3.19Å; F527-I531 WeakPolarHBondContact O-CG1 3.29Å; F527-I531 PolarHBondContact O-N 3.24Å; F527-I531 VanDerWaalsContact O-N 3.16Å
528S86Confident88.4Confident13 Ų1366 Ų669%0.09133%0.334CS..Hα-helixtrans-59.2-38.3176.5-164.40000111.5F524 L525 Y526 F530 I531 F532F524-S528 WeakPolarHBondContact O-CB 3.4Å; F524-S528 PolarHBondContact O-N 3.35Å; L525-S528 WeakPolarHBondContact O-CB 3.38Å; L525-S528 PolarHBondContact O-N 3.02Å; Y526-S528 PolarHBondContact O-N 3.16Å; S528-F530 PolarHBondContact O-N 3.35Å; S528-I531 PolarHBondContact O-N 3.16Å; S528-F532 WeakPolarHBondContact O-CD2 3.32Å; S528-F532 PolarHBondContact O-N 2.9Å; S528-F532 WeakPolarHBondContact OG-CE2 3.45Å
529E79.9Confident88.1Confident26 Ų2663.9 Ų63.912%0.12132%0.32CS..Hα-helixtrans-56.7-49.8176.8-163.9-167.8126.600112.6L525 Y526 F527 L533 R589 R592L525-E529 PolarHBondContact O-N 2.86Å; Y526-E529 WeakPolarHBondContact O-CB 3.38Å; Y526-E529 PolarHBondContact O-N 3.1Å; F527-E529 VanDerWaalsContact C-N 3.26Å; F527-E529 PolarHBondContact O-N 3.44Å; E529-L533 WeakPolarHBondContact O-CB 3Å; E529-L533 PolarHBondContact O-N 3.39Å; E529-R589 IonicContact OE2-NE 2.7Å; E529-R592 IonicContact OE1-CZ 2.72Å; E529-R592 IonicContact OE1-NH1 2.81Å; E529-R592 PolarHBondContact OE1-NH1 2.92Å; E529-R592 IonicContact OE1-NH2 3.72Å; E529-R592 PolarHBondContact OE1-NH2 3.44Å
530F86Confident88.1Confident83 Ų8362.8 Ų62.836%0.36430%0.302SS..Hα-helixtrans-65.3-39.3177.2-73.5-84.2000112.4Y526 F527 S528 L533 G534 I572Y526-F530 HydrophobicContact CD1-CE2 4.3Å; Y526-F530 HydrophobicContact CD2-CE2 4.35Å; Y526-F530 HydrophobicContact CE1-CD2 4.49Å; Y526-F530 AromaticContact CE1-CE2 3.8Å; Y526-F530 HydrophobicContact CE1-CE2 3.8Å; Y526-F530 AromaticContact CE2-CE2 3.87Å; Y526-F530 HydrophobicContact CE2-CE2 3.87Å; Y526-F530 AromaticContact CZ-CE2 3.58Å; Y526-F530 WeakPolarHBondContact O-CD2 3.47Å; F527-F530 PolarHBondContact O-N 3.19Å; S528-F530 PolarHBondContact O-N 3.35Å; F530-L533 PolarHBondContact O-N 3.37Å; F530-G534 PolarHBondContact O-N 3.4Å; F530-I572 HydrophobicContact CD1-CD1 4.26Å; F530-I572 HydrophobicContact CE1-CD1 3.86Å; F530-I572 HydrophobicContact CE1-CG2 4.16Å; F530-I572 HydrophobicContact CZ-CD1 4.38Å; F530-I572 HydrophobicContact CZ-CG2 4.47Å
531I89.8Confident87.9Confident107 Ų10759 Ų5955%0.54929%0.294SS..Hα-helixtrans-61.6-49178.6-68.8165.5000110.2F527 S528 G534 L535F527-I531 WeakPolarHBondContact O-CG1 3.29Å; F527-I531 PolarHBondContact O-N 3.24Å; F527-I531 VanDerWaalsContact O-N 3.16Å; S528-I531 PolarHBondContact O-N 3.16Å; I531-G534 PolarHBondContact O-N 3.44Å; I531-L535 HydrophobicContact CG2-CD1 4.11Å; I531-L535 WeakPolarHBondContact O-CG 3.29Å; I531-L535 PolarHBondContact O-N 2.68Å
532F88.3Confident87.9Confident13 Ų1360.1 Ų60.16%0.05730%0.3CS..Hα-helixtrans-64.2-43.1177-72.5-55.8000112.4L502 L505 N506 C509 S528 G534 L535 F536L502-F532 HydrophobicContact CD2-CE1 4.45Å; L505-F532 HydrophobicContact CB-CE1 4.47Å; L505-F532 HydrophobicContact CB-CZ 4.3Å; L505-F532 HydrophobicContact CD2-CZ 3.79Å; N506-F532 HydrophobicContact CB-CD1 3.93Å; N506-F532 HydrophobicContact CB-CD2 3.83Å; N506-F532 HydrophobicContact CB-CE1 3.97Å; N506-F532 HydrophobicContact CB-CE2 3.86Å; N506-F532 HydrophobicContact CB-CG 3.86Å; N506-F532 HydrophobicContact CB-CZ 3.93Å; N506-F532 WeakPolarHBondContact OD1-CB 3.3Å; N506-F532 VanDerWaalsContact OD1-CD2 3.22Å; N506-F532 WeakPolarHBondContact OD1-CD2 3.35Å; N506-F532 WeakPolarHBondContact OD1-CG 3.28Å; C509-F532 HydrophobicContact CB-CE2 4.27Å; S528-F532 WeakPolarHBondContact O-CD2 3.32Å; S528-F532 PolarHBondContact O-N 2.9Å; S528-F532 WeakPolarHBondContact OG-CE2 3.45Å; F532-G534 VanDerWaalsContact C-N 3.34Å; F532-G534 PolarHBondContact O-N 2.96Å; F532-L535 PolarHBondContact O-N 2.66Å; F532-F536 HydrophobicContact CB-CD2 4.25Å; F532-F536 HydrophobicContact CB-CE2 3.98Å; F532-F536 HydrophobicContact CD1-CE2 4.48Å; F532-F536 WeakPolarHBondContact O-CD2 3.18Å; F532-F536 WeakPolarHBondContact O-CG 3.37Å; F532-F536 PolarHBondContact O-N 2.88Å
533L85.6Confident88Confident11 Ų1158 Ų586%0.05828%0.284CS..Hα-helixtrans-61.2-43178-177.456.2000111.8E529 F530 F536 L537 V565 L569 I572E529-L533 WeakPolarHBondContact O-CB 3Å; E529-L533 PolarHBondContact O-N 3.39Å; F530-L533 PolarHBondContact O-N 3.37Å; L533-F536 PolarHBondContact O-N 3.01Å; L533-L537 VanDerWaalsContact O-CB 3.23Å; L533-L537 WeakPolarHBondContact O-CB 3.41Å; L533-L537 PolarHBondContact O-N 2.93Å; L533-V565 HydrophobicContact CD1-CG1 4.24Å; L533-L569 HydrophobicContact CD2-CD2 4.1Å; L533-L569 HydrophobicContact CD2-CG 4.5Å; L533-I572 HydrophobicContact CD2-CD1 3.38Å
534G88.8Confident88Confident39 Ų3955.7 Ų55.740%0.40227%0.272SS..Hα-helixtrans-59.5-45.4174.600000112.7F530 I531 F532 L537 F538F530-G534 PolarHBondContact O-N 3.4Å; I531-G534 PolarHBondContact O-N 3.44Å; F532-G534 VanDerWaalsContact C-N 3.34Å; F532-G534 PolarHBondContact O-N 2.96Å; G534-L537 PolarHBondContact O-N 2.83Å; G534-F538 WeakPolarHBondContact O-CB 3.33Å; G534-F538 PolarHBondContact O-N 3.18Å
535L90.5Very high87.9Confident73 Ų7353.9 Ų53.938%0.38226%0.262SS..Hα-helixtrans-63.1-41.2176.8-70.6171.3000112.6L502 I531 F532 F538 E539L502-L535 HydrophobicContact CD1-CD1 4.49Å; L502-L535 HydrophobicContact CD2-CD1 3.94Å; I531-L535 HydrophobicContact CG2-CD1 4.11Å; I531-L535 WeakPolarHBondContact O-CG 3.29Å; I531-L535 PolarHBondContact O-N 2.68Å; F532-L535 PolarHBondContact O-N 2.66Å; L535-F538 PolarHBondContact O-N 2.88Å; L535-E539 PolarHBondContact O-N 3.42Å
536F88.6Confident87.8Confident3 Ų353 Ų531%0.01326%0.258CS..Hα-helixtrans-74.9-31.9178.1-66.8-52.1000113.3L502 V503 N506 F532 L533 F538 E539 M540 V565 R595L502-F536 HydrophobicContact CB-CE1 4.31Å; L502-F536 HydrophobicContact CB-CZ 4.35Å; V503-F536 HydrophobicContact CG2-CE1 3.72Å; V503-F536 HydrophobicContact CG2-CZ 3.73Å; N506-F536 HydrophobicContact CB-CE2 4.42Å; F532-F536 HydrophobicContact CB-CD2 4.25Å; F532-F536 HydrophobicContact CB-CE2 3.98Å; F532-F536 HydrophobicContact CD1-CE2 4.48Å; F532-F536 WeakPolarHBondContact O-CD2 3.18Å; F532-F536 WeakPolarHBondContact O-CG 3.37Å; F532-F536 PolarHBondContact O-N 2.88Å; L533-F536 PolarHBondContact O-N 3.01Å; F536-F538 VanDerWaalsContact C-N 3.32Å; F536-E539 WeakPolarHBondContact O-CB 3.44Å; F536-E539 PolarHBondContact O-N 3.49Å; F536-M540 WeakPolarHBondContact O-CB 3.45Å; F536-M540 PolarHBondContact O-N 3Å; F536-V565 HydrophobicContact CB-CG2 4.01Å; F536-R595 VanDerWaalsContact CD2-CZ 3.4Å
537L89.2Confident87.8Confident55 Ų5548.7 Ų48.729%0.28824%0.243SC..Hα-helixtrans-65.5-39171.1-175.7150.5000110.6L533 G534 M540 I541 V565 L569L533-L537 VanDerWaalsContact O-CB 3.23Å; L533-L537 WeakPolarHBondContact O-CB 3.41Å; L533-L537 PolarHBondContact O-N 2.93Å; G534-L537 PolarHBondContact O-N 2.83Å; L537-M540 PolarHBondContact O-N 3.01Å; L537-I541 HydrophobicContact CD2-CD1 3.56Å; L537-I541 HydrophobicContact CD2-CG1 4.39Å; L537-I541 WeakPolarHBondContact O-CG1 3.49Å; L537-I541 PolarHBondContact O-N 3Å; L537-V565 HydrophobicContact CB-CG1 4.4Å; L537-L569 HydrophobicContact CD1-CD1 4.09Å; L537-L569 HydrophobicContact CD1-CD2 4.02Å
538F90.1Very high87.5Confident132 Ų13243 Ų4358%0.57922%0.221SC*.Hα-helixtrans-66.1-42.3172.4-172.2-112.9000112.5G534 L535 F536 M540 I541 I542G534-F538 WeakPolarHBondContact O-CB 3.33Å; G534-F538 PolarHBondContact O-N 3.18Å; L535-F538 PolarHBondContact O-N 2.88Å; F536-F538 VanDerWaalsContact C-N 3.32Å; F538-M540 VanDerWaalsContact C-N 3.3Å; F538-M540 PolarHBondContact O-N 2.96Å; F538-I541 PolarHBondContact O-N 2.77Å; F538-I542 HydrophobicContact CD1-CD1 3.82Å; F538-I542 HydrophobicContact CD2-CD1 4.43Å; F538-I542 HydrophobicContact CE1-CD1 3.42Å; F538-I542 VanDerWaalsContact CE1-CD1 3.42Å; F538-I542 HydrophobicContact CE2-CD1 4.08Å; F538-I542 HydrophobicContact CG-CD1 4.32Å; F538-I542 HydrophobicContact CZ-CD1 3.57Å; F538-I542 HydrophobicContact CZ-CG1 4.49Å; F538-I542 WeakPolarHBondContact O-CB 3.34Å; F538-I542 WeakPolarHBondContact O-CG1 3.18Å; F538-I542 PolarHBondContact O-N 2.72Å
539E88.7Confident87.5Confident13 Ų1345.6 Ų45.66%0.06124%0.239CC..Hα-helixtrans-52.8-48.6170.6-171.8-159.9167.100110.8F495 V499 L535 F536 K543 K598F495-E539 HydrophobicContact CE1-CG 4.43Å; F495-E539 HydrophobicContact CZ-CG 3.97Å; V499-E539 WeakPolarHBondContact CG1-OE1 3.05Å; V499-E539 HydrophobicContact CG2-CG 3.99Å; L535-E539 PolarHBondContact O-N 3.42Å; F536-E539 WeakPolarHBondContact O-CB 3.44Å; F536-E539 PolarHBondContact O-N 3.49Å; E539-K543 HydrophobicContact CG-CD 4.49Å; E539-K543 WeakPolarHBondContact O-CG 3.38Å; E539-K543 PolarHBondContact O-N 3.44Å; E539-K543 WeakPolarHBondContact OE1-CE 3.24Å; E539-K543 IonicContact OE1-NZ 2.76Å; E539-K543 PolarHBondContact OE1-NZ 2.83Å; E539-K598 IonicContact OE1-NZ 3.01Å; E539-K598 PolarHBondContact OE1-NZ 3.34Å; E539-K598 IonicContact OE2-NZ 3.71Å; E539-K598 PolarHBondContact OE2-NZ 3.33Å
540M87.8Confident87.7Confident24 Ų2449.7 Ų49.712%0.11826%0.261CS..Hα-helixtrans-64.3-49.3-178.5-177-178.770.700112.5F536 L537 F538 I542 K543 I544 F562 V565F536-M540 WeakPolarHBondContact O-CB 3.45Å; F536-M540 PolarHBondContact O-N 3Å; L537-M540 PolarHBondContact O-N 3.01Å; F538-M540 VanDerWaalsContact C-N 3.3Å; F538-M540 PolarHBondContact O-N 2.96Å; M540-I542 VanDerWaalsContact C-N 3.34Å; M540-I542 PolarHBondContact O-N 3.33Å; M540-K543 PolarHBondContact O-N 2.91Å; M540-I544 HydrophobicContact CG-CD1 3.84Å; M540-I544 WeakPolarHBondContact O-CG1 3.36Å; M540-I544 PolarHBondContact O-N 3.27Å; M540-F562 HydrophobicContact SD-CB 4.33Å; M540-F562 HydrophobicContact SD-CD2 3.64Å; M540-F562 HydrophobicContact SD-CE2 4.43Å; M540-F562 HydrophobicContact SD-CG 4.39Å; M540-V565 HydrophobicContact CE-CG1 3.95Å; M540-V565 HydrophobicContact SD-CB 4.22Å; M540-V565 HydrophobicContact SD-CG1 4.08Å
541I90.5Very high87.5Confident95 Ų9550 Ų5049%0.48727%0.265SS..Hα-helixtrans-60.1-45178.5-71.1176000110.8L537 F538 K543 I544 Y545L537-I541 HydrophobicContact CD2-CD1 3.56Å; L537-I541 HydrophobicContact CD2-CG1 4.39Å; L537-I541 WeakPolarHBondContact O-CG1 3.49Å; L537-I541 PolarHBondContact O-N 3Å; F538-I541 PolarHBondContact O-N 2.77Å; I541-K543 PolarHBondContact O-N 3.43Å; I541-I544 PolarHBondContact O-N 2.84Å; I541-Y545 PolarHBondContact O-N 2.99Å
542I90.5Very high87.2Confident35 Ų3544.9 Ų44.918%0.17924%0.239CC..Hα-helixtrans-57.8-49.8176-80.7178.2000110.8V486 I490 F495 F538 M540 I544 Y545 G546V486-I542 HydrophobicContact CG1-CG2 3.99Å; I490-I542 HydrophobicContact CD1-CG2 3.76Å; I490-I542 WeakPolarHBondContact CD1-O 3.49Å; I490-I542 HydrophobicContact CG1-CG2 3.58Å; F495-I542 HydrophobicContact CZ-CG2 4.42Å; F538-I542 HydrophobicContact CD1-CD1 3.82Å; F538-I542 HydrophobicContact CD2-CD1 4.43Å; F538-I542 HydrophobicContact CE1-CD1 3.42Å; F538-I542 VanDerWaalsContact CE1-CD1 3.42Å; F538-I542 HydrophobicContact CE2-CD1 4.08Å; F538-I542 HydrophobicContact CG-CD1 4.32Å; F538-I542 HydrophobicContact CZ-CD1 3.57Å; F538-I542 HydrophobicContact CZ-CG1 4.49Å; F538-I542 WeakPolarHBondContact O-CB 3.34Å; F538-I542 WeakPolarHBondContact O-CG1 3.18Å; F538-I542 PolarHBondContact O-N 2.72Å; M540-I542 VanDerWaalsContact C-N 3.34Å; M540-I542 PolarHBondContact O-N 3.33Å; I542-I544 PolarHBondContact O-N 2.87Å; I542-Y545 PolarHBondContact O-N 3.19Å; I542-G546 PolarHBondContact O-N 3.44Å
543K89Confident87.2Confident20 Ų2048 Ų489%0.08725%0.253CS..Hα-helixtrans-57.6-47.7177.8-76.6178.6-177176.30112.5I490 E539 M540 I541 Y545 G546 L547 Y552 D561I490-K543 HydrophobicContact CG2-CG 4.18Å; E539-K543 HydrophobicContact CG-CD 4.49Å; E539-K543 WeakPolarHBondContact O-CG 3.38Å; E539-K543 PolarHBondContact O-N 3.44Å; E539-K543 WeakPolarHBondContact OE1-CE 3.24Å; E539-K543 IonicContact OE1-NZ 2.76Å; E539-K543 PolarHBondContact OE1-NZ 2.83Å; M540-K543 PolarHBondContact O-N 2.91Å; I541-K543 PolarHBondContact O-N 3.43Å; K543-Y545 VanDerWaalsContact C-N 3.34Å; K543-Y545 PolarHBondContact O-N 3.35Å; K543-G546 PolarHBondContact O-N 3.46Å; K543-L547 WeakPolarHBondContact O-CB 3.43Å; K543-L547 PolarHBondContact O-N 2.85Å; K543-Y552 HydrophobicContact CB-CD2 3.74Å; K543-Y552 HydrophobicContact CB-CE2 3.57Å; K543-Y552 HydrophobicContact CD-CE2 3.8Å; K543-Y552 HydrophobicContact CG-CE2 4.36Å; K543-D561 IonicContact NZ-OD2 3.13Å; K543-D561 PolarHBondContact NZ-OD2 2.97Å
544I89.9Confident86.9Confident50 Ų5052.1 Ų52.126%0.25627%0.272SS..Hα-helixtrans-62.2-41.7-178.5-69.3168.9000110.7M540 I541 I542 G548 Y552M540-I544 HydrophobicContact CG-CD1 3.84Å; M540-I544 WeakPolarHBondContact O-CG1 3.36Å; M540-I544 PolarHBondContact O-N 3.27Å; I541-I544 PolarHBondContact O-N 2.84Å; I542-I544 PolarHBondContact O-N 2.87Å; I544-G548 CarbonylContact O-C 2.91Å; I544-G548 WeakPolarHBondContact O-CA 3.31Å; I544-G548 PolarHBondContact O-N 3.27Å; I544-Y552 HydrophobicContact CD1-CE1 4.49Å; I544-Y552 HydrophobicContact CG1-CD1 4.03Å; I544-Y552 HydrophobicContact CG1-CD2 3.8Å; I544-Y552 HydrophobicContact CG1-CE1 4.24Å; I544-Y552 HydrophobicContact CG1-CE2 3.99Å; I544-Y552 HydrophobicContact CG1-CG 3.83Å
545Y89.1Confident86.1Confident70 Ų7052.3 Ų52.328%0.27527%0.267SS..Hα-helixtrans-66.2-53.2176.4-177-102.7000112.5H479 F482 R483 V486 I541 I542 K543H479-Y545 PolarHBondContact CD2-OH 2.87Å; H479-Y545 AromaticContact NE2-CE2 3.56Å; H479-Y545 AromaticContact NE2-CZ 3.72Å; H479-Y545 PolarHBondContact NE2-OH 3.12Å; F482-Y545 AromaticContact CD1-CE1 3.64Å; F482-Y545 HydrophobicContact CD1-CE1 3.64Å; F482-Y545 AromaticContact CD1-CZ 3.95Å; F482-Y545 AromaticContact CE1-CE1 3.93Å; F482-Y545 HydrophobicContact CE1-CE1 3.93Å; R483-Y545 HydrophobicContact CB-CE1 3.95Å; R483-Y545 HydrophobicContact CG-CE1 4.21Å; R483-Y545 WeakPolarHBondContact CG-O 3.35Å; R483-Y545 PolarHBondContact NE-O 3.36Å; V486-Y545 HydrophobicContact CB-CD1 4.26Å; V486-Y545 HydrophobicContact CG1-CD1 4.15Å; V486-Y545 HydrophobicContact CG2-CD1 4.27Å; V486-Y545 HydrophobicContact CG2-CE1 4.31Å; I541-Y545 PolarHBondContact O-N 2.99Å; I542-Y545 PolarHBondContact O-N 3.19Å; K543-Y545 VanDerWaalsContact C-N 3.34Å; K543-Y545 PolarHBondContact O-N 3.35Å
546G84.7Confident85.3Confident0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-68.1-43.9-174.800000114.2R487 I542 K543R487-G546 PolarHBondContact NE-O 3.08Å; I542-G546 PolarHBondContact O-N 3.44Å; K543-G546 PolarHBondContact O-N 3.46Å
547L83.1Confident84.6Confident27 Ų2755.6 Ų55.614%0.14129%0.286CS..Hα-helixtrans-77.1-51.1176.3-62.3174.2000110.4R483 R487 K543R483-L547 PolarHBondContact NH2-O 2.78Å; R487-L547 PolarHBondContact NH2-O 3.28Å; K543-L547 WeakPolarHBondContact O-CB 3.43Å; K543-L547 PolarHBondContact O-N 2.85Å
548G82.3Confident84.3Confident13 Ų1353.7 Ų53.713%0.13428%0.276CS..  trans102.5141.8-16600000111.5R483 I544 L550 I551 Y552R483-G548 VanDerWaalsContact NH2-CA 3.32Å; I544-G548 CarbonylContact O-C 2.91Å; I544-G548 WeakPolarHBondContact O-CA 3.31Å; I544-G548 PolarHBondContact O-N 3.27Å; G548-L550 PolarHBondContact O-N 2.86Å; G548-I551 PolarHBondContact O-N 3.22Å; G548-I551 VanDerWaalsContact O-N 3.14Å; G548-Y552 PolarHBondContact O-N 2.88Å
549C85.5Confident84Confident69 Ų6951.1 Ų51.147%0.46627%0.268SS..Hα-helixtrans-47.2-52.8-171.1-172.80000114.7I551 Y552 F553C549-I551 PolarHBondContact O-N 2.97Å; C549-Y552 WeakPolarHBondContact O-CB 3.07Å; C549-Y552 PolarHBondContact O-N 3.37Å; C549-F553 VanDerWaalsContact O-CD2 3.3Å; C549-F553 WeakPolarHBondContact O-CD2 3.38Å; C549-F553 PolarHBondContact O-N 2.86Å; C549-F553 VanDerWaalsContact O-N 3.08Å
550L83.3Confident83.5Confident111 Ų11153.5 Ų53.558%0.58128%0.278SS*.Hα-helixtrans-62.5-40.2-177.6-61.9177.7000113.2G548 H554 T2104G548-L550 PolarHBondContact O-N 2.86Å; L550-H554 PolarHBondContact O-N 3.12Å; L550-T2104 HydrophobicContact CD1-CG2 4.12Å
551I82Confident83.1Confident89 Ų8952.8 Ų52.846%0.45628%0.275SS..Hα-helixtrans-74.7-33.7179.3-58.8175.3000110.4G548 C549 H554G548-I551 PolarHBondContact O-N 3.22Å; G548-I551 VanDerWaalsContact O-N 3.14Å; C549-I551 PolarHBondContact O-N 2.97Å; I551-H554 PolarHBondContact O-N 2.98Å
552Y84.8Confident83Confident0 Ų051.7 Ų51.70%027%0.267CS..Hα-helixtrans-57.1-53172.6-179.6-89.1000110.8K543 I544 G548 C549 H554 S555 N558 F562K543-Y552 HydrophobicContact CB-CD2 3.74Å; K543-Y552 HydrophobicContact CB-CE2 3.57Å; K543-Y552 HydrophobicContact CD-CE2 3.8Å; K543-Y552 HydrophobicContact CG-CE2 4.36Å; I544-Y552 HydrophobicContact CD1-CE1 4.49Å; I544-Y552 HydrophobicContact CG1-CD1 4.03Å; I544-Y552 HydrophobicContact CG1-CD2 3.8Å; I544-Y552 HydrophobicContact CG1-CE1 4.24Å; I544-Y552 HydrophobicContact CG1-CE2 3.99Å; I544-Y552 HydrophobicContact CG1-CG 3.83Å; G548-Y552 PolarHBondContact O-N 2.88Å; C549-Y552 WeakPolarHBondContact O-CB 3.07Å; C549-Y552 PolarHBondContact O-N 3.37Å; Y552-H554 VanDerWaalsContact C-N 3.32Å; Y552-H554 PolarHBondContact O-N 2.96Å; Y552-S555 PolarHBondContact O-N 2.86Å; Y552-N558 HydrophobicContact CD1-CB 4.17Å; Y552-N558 HydrophobicContact CD2-CB 4.08Å; Y552-N558 HydrophobicContact CE1-CB 3.87Å; Y552-N558 WeakPolarHBondContact CE1-O 3.5Å; Y552-N558 HydrophobicContact CE2-CB 3.81Å; Y552-N558 HydrophobicContact CG-CB 4.24Å; Y552-N558 WeakPolarHBondContact O-CB 3.41Å; Y552-N558 PolarHBondContact O-ND2 3.42Å; Y552-N558 PolarHBondContact OH-O 2.97Å; Y552-F562 HydrophobicContact CE1-CB 4.08Å
553F86.9Confident82.6Confident78 Ų7852.5 Ų52.534%0.34228%0.278SS..Hα-helixtrans-76.9-5.9-177.4-71.7-67.3000115.3C549 S555 I559 F562C549-F553 VanDerWaalsContact O-CD2 3.3Å; C549-F553 WeakPolarHBondContact O-CD2 3.38Å; C549-F553 PolarHBondContact O-N 2.86Å; C549-F553 VanDerWaalsContact O-N 3.08Å; F553-S555 VanDerWaalsContact C-N 3.31Å; F553-I559 HydrophobicContact CD1-CG1 4.29Å; F553-I559 WeakPolarHBondContact O-CD1 3.44Å; F553-I559 WeakPolarHBondContact O-CG1 3.43Å; F553-F562 HydrophobicContact CE1-CB 4.29Å; F553-F562 HydrophobicContact CE1-CD1 4.03Å; F553-F562 HydrophobicContact CE1-CD2 4.19Å; F553-F562 HydrophobicContact CE1-CE1 4.45Å; F553-F562 AromaticContact CE1-CG 3.9Å; F553-F562 HydrophobicContact CE1-CG 3.9Å; F553-F562 HydrophobicContact CZ-CD1 4.47Å; F553-F562 HydrophobicContact CZ-CD2 4Å; F553-F562 HydrophobicContact CZ-CE2 4.13Å; F553-F562 HydrophobicContact CZ-CG 4.2Å; F553-F562 HydrophobicContact CZ-CZ 4.42Å
554H78.7Confident82.1Confident99 Ų9951.8 Ų51.846%0.45828%0.276SS..Hα-helixtrans-73.6-22.2169.1-165.9-53.5000112L550 I551 Y552 Y2106 H2107L550-H554 PolarHBondContact O-N 3.12Å; I551-H554 PolarHBondContact O-N 2.98Å; Y552-H554 VanDerWaalsContact C-N 3.32Å; Y552-H554 PolarHBondContact O-N 2.96Å; H554-Y2106 PolarHBondContact CD2-O 3.38Å; H554-Y2106 PolarHBondContact NE2-O 3.02Å; H554-H2107 PolarHBondContact CE1-N 2.92Å; H554-H2107 VanDerWaalsContact CE1-N 3.26Å; H554-H2107 PolarHBondContact NE2-N 3.43Å
555S73.5Confident81.8Confident43 Ų4349.5 Ų49.530%0.30126%0.264SS..SBendtrans-93.4117.6-178.2-168.40000111.9Y552 F553 F557 N558 I559Y552-S555 PolarHBondContact O-N 2.86Å; F553-S555 VanDerWaalsContact C-N 3.31Å; S555-F557 PolarHBondContact O-N 3.47Å; S555-F557 VanDerWaalsContact O-N 3.14Å; S555-N558 WeakPolarHBondContact O-CA 3.28Å; S555-N558 WeakPolarHBondContact O-CB 3.5Å; S555-N558 PolarHBondContact O-N 2.82Å; S555-I559 PolarHBondContact O-N 3.37Å
556T73.7Confident81.6Confident97 Ų9752 Ų5260%0.59528%0.277SS*.Hα-helixtrans-51.7-40.1-179.4-38.60000113.1N558 I559 F560T556-N558 VanDerWaalsContact C-N 3.34Å; T556-N558 PolarHBondContact O-N 3.08Å; T556-I559 PolarHBondContact O-N 2.83Å; T556-F560 WeakPolarHBondContact O-CB 3.23Å; T556-F560 PolarHBondContact O-N 3.36Å
557F73.9Confident81.4Confident47 Ų4753.1 Ų53.121%0.20629%0.286CS..Hα-helixtrans-67.5-29.1177-69.4-79.3000113.4S555 D561 R601S555-F557 PolarHBondContact O-N 3.47Å; S555-F557 VanDerWaalsContact O-N 3.14Å; F557-D561 WeakPolarHBondContact O-CB 3.34Å; F557-D561 PolarHBondContact O-N 2.8Å; F557-R601 HydrophobicContact CE1-CB 4.32Å; F557-R601 HydrophobicContact CE2-CB 4.35Å; F557-R601 HydrophobicContact CE2-CG 4.36Å; F557-R601 HydrophobicContact CZ-CB 4.09Å
558N81.9Confident81.2Confident15 Ų1551.9 Ų51.98%0.0828%0.279CS..Hα-helixtrans-78.7-34.7174.4-74-17.9000112Y552 S555 T556 F560 F562Y552-N558 HydrophobicContact CD1-CB 4.17Å; Y552-N558 HydrophobicContact CD2-CB 4.08Å; Y552-N558 HydrophobicContact CE1-CB 3.87Å; Y552-N558 WeakPolarHBondContact CE1-O 3.5Å; Y552-N558 HydrophobicContact CE2-CB 3.81Å; Y552-N558 HydrophobicContact CG-CB 4.24Å; Y552-N558 WeakPolarHBondContact O-CB 3.41Å; Y552-N558 PolarHBondContact O-ND2 3.42Å; Y552-N558 PolarHBondContact OH-O 2.97Å; S555-N558 WeakPolarHBondContact O-CA 3.28Å; S555-N558 WeakPolarHBondContact O-CB 3.5Å; S555-N558 PolarHBondContact O-N 2.82Å; T556-N558 VanDerWaalsContact C-N 3.34Å; T556-N558 PolarHBondContact O-N 3.08Å; N558-F560 VanDerWaalsContact C-N 3.29Å; N558-F562 WeakPolarHBondContact O-CB 3.24Å; N558-F562 PolarHBondContact O-N 2.72Å
559I84.7Confident81.2Confident79 Ų7954.3 Ų54.341%0.40529%0.289SS..Hα-helixtrans-59.5-45.9170.4-56.4172000109.2F553 S555 T556 F562 A563F553-I559 HydrophobicContact CD1-CG1 4.29Å; F553-I559 WeakPolarHBondContact O-CD1 3.44Å; F553-I559 WeakPolarHBondContact O-CG1 3.43Å; S555-I559 PolarHBondContact O-N 3.37Å; T556-I559 PolarHBondContact O-N 2.83Å; I559-F562 WeakPolarHBondContact O-CB 3.25Å; I559-F562 PolarHBondContact O-N 2.84Å; I559-A563 WeakPolarHBondContact O-CB 3.49Å; I559-A563 PolarHBondContact O-N 2.94Å
560F78.3Confident81.1Confident62 Ų6255.2 Ų55.227%0.27229%0.285SS..Hα-helixtrans-63.2-47.4177.3176.6-96.4000112.7T556 N558 F562 A563 V564 L594 F597T556-F560 WeakPolarHBondContact O-CB 3.23Å; T556-F560 PolarHBondContact O-N 3.36Å; N558-F560 VanDerWaalsContact C-N 3.29Å; F560-F562 VanDerWaalsContact C-N 3.29Å; F560-F562 PolarHBondContact O-N 2.68Å; F560-A563 PolarHBondContact O-N 2.72Å; F560-V564 WeakPolarHBondContact O-CG2 3.36Å; F560-V564 PolarHBondContact O-N 2.79Å; F560-L594 HydrophobicContact CE1-CB 4.47Å; F560-L594 VanDerWaalsContact CE1-O 3.24Å; F560-L594 WeakPolarHBondContact CE1-O 3.37Å; F560-L594 HydrophobicContact CE2-CB 4.21Å; F560-L594 HydrophobicContact CZ-CB 3.65Å; F560-L594 WeakPolarHBondContact CZ-O 3.28Å; F560-F597 HydrophobicContact CE1-CB 4.17Å; F560-F597 HydrophobicContact CZ-CB 3.98Å; F560-F597 HydrophobicContact CZ-CD2 4.1Å; F560-F597 HydrophobicContact CZ-CG 4.39Å
561D79.7Confident80.8Confident9 Ų950 Ų505%0.04826%0.258CS..Hα-helixtrans-54.4-45172.3-87.66.1000112.2K543 F557 V565 K598K543-D561 IonicContact NZ-OD2 3.13Å; K543-D561 PolarHBondContact NZ-OD2 2.97Å; F557-D561 WeakPolarHBondContact O-CB 3.34Å; F557-D561 PolarHBondContact O-N 2.8Å; D561-V565 WeakPolarHBondContact O-CB 3.37Å; D561-V565 WeakPolarHBondContact O-CG2 3.44Å; D561-V565 PolarHBondContact O-N 2.98Å; D561-K598 WeakPolarHBondContact OD1-CE 3.48Å; D561-K598 IonicContact OD1-NZ 3.22Å; D561-K598 PolarHBondContact OD1-NZ 3.47Å; D561-K598 WeakPolarHBondContact OD2-CE 3.38Å; D561-K598 IonicContact OD2-NZ 3.83Å; D561-K598 PolarHBondContact OD2-NZ 3.44Å
562F86.5Confident80.6Confident73 Ų7346.9 Ų46.932%0.3224%0.242SC..Hα-helixtrans-63.4-46177.3172.7-89.1000111.4M540 Y552 F553 N558 I559 F560 V564 V565 F566M540-F562 HydrophobicContact SD-CB 4.33Å; M540-F562 HydrophobicContact SD-CD2 3.64Å; M540-F562 HydrophobicContact SD-CE2 4.43Å; M540-F562 HydrophobicContact SD-CG 4.39Å; Y552-F562 HydrophobicContact CE1-CB 4.08Å; F553-F562 HydrophobicContact CE1-CB 4.29Å; F553-F562 HydrophobicContact CE1-CD1 4.03Å; F553-F562 HydrophobicContact CE1-CD2 4.19Å; F553-F562 HydrophobicContact CE1-CE1 4.45Å; F553-F562 AromaticContact CE1-CG 3.9Å; F553-F562 HydrophobicContact CE1-CG 3.9Å; F553-F562 HydrophobicContact CZ-CD1 4.47Å; F553-F562 HydrophobicContact CZ-CD2 4Å; F553-F562 HydrophobicContact CZ-CE2 4.13Å; F553-F562 HydrophobicContact CZ-CG 4.2Å; F553-F562 HydrophobicContact CZ-CZ 4.42Å; N558-F562 WeakPolarHBondContact O-CB 3.24Å; N558-F562 PolarHBondContact O-N 2.72Å; I559-F562 WeakPolarHBondContact O-CB 3.25Å; I559-F562 PolarHBondContact O-N 2.84Å; F560-F562 VanDerWaalsContact C-N 3.29Å; F560-F562 PolarHBondContact O-N 2.68Å; F562-V564 PolarHBondContact O-N 2.85Å; F562-V565 PolarHBondContact O-N 3.44Å; F562-F566 WeakPolarHBondContact O-CB 3.01Å; F562-F566 PolarHBondContact O-N 3.5Å
563A82.2Confident80.5Confident51 Ų5150.3 Ų50.342%0.42126%0.263SS..Hα-helixtrans-62.4-42.3178.600000112.3I559 F560 F566 A567I559-A563 WeakPolarHBondContact O-CB 3.49Å; I559-A563 PolarHBondContact O-N 2.94Å; F560-A563 PolarHBondContact O-N 2.72Å; A563-F566 PolarHBondContact O-N 2.79Å; A563-A567 VanDerWaalsContact O-CB 3.32Å; A563-A567 WeakPolarHBondContact O-CB 3.44Å; A563-A567 PolarHBondContact O-N 3.33Å
564V79.1Confident80.1Confident5 Ų550 Ų503%0.0326%0.259CS..Hα-helixtrans-69-41178.4174.70000111.6F560 F562 S568 I591 R595F560-V564 WeakPolarHBondContact O-CG2 3.36Å; F560-V564 PolarHBondContact O-N 2.79Å; F562-V564 PolarHBondContact O-N 2.85Å; V564-S568 PolarHBondContact O-N 2.78Å; V564-S568 PolarHBondContact O-OG 3.13Å; V564-I591 HydrophobicContact CG1-CG2 4.3Å; V564-I591 WeakPolarHBondContact CG1-O 3.37Å; V564-I591 HydrophobicContact CG2-CG2 4.06Å; V564-R595 HydrophobicContact CG1-CG 3.96Å
565V84.6Confident79.9Confident3 Ų347.3 Ų47.32%0.01825%0.247CC..Hα-helixtrans-65.9-41.3173.8172.10000111.1L533 F536 L537 M540 D561 F562 S568 L569L533-V565 HydrophobicContact CD1-CG1 4.24Å; F536-V565 HydrophobicContact CB-CG2 4.01Å; L537-V565 HydrophobicContact CB-CG1 4.4Å; M540-V565 HydrophobicContact CE-CG1 3.95Å; M540-V565 HydrophobicContact SD-CB 4.22Å; M540-V565 HydrophobicContact SD-CG1 4.08Å; D561-V565 WeakPolarHBondContact O-CB 3.37Å; D561-V565 WeakPolarHBondContact O-CG2 3.44Å; D561-V565 PolarHBondContact O-N 2.98Å; F562-V565 PolarHBondContact O-N 3.44Å; V565-S568 WeakPolarHBondContact O-CB 3.07Å; V565-S568 PolarHBondContact O-N 2.66Å; V565-L569 HydrophobicContact CG1-CD1 4.23Å; V565-L569 WeakPolarHBondContact O-CG 3.22Å; V565-L569 PolarHBondContact O-N 2.71Å
566F85.3Confident80.3Confident123 Ų12351.3 Ų51.354%0.53926%0.264SS..Hα-helixtrans-65.2-42.4177-174.7-94.6000112.3F562 A563 S568 L569 F570F562-F566 WeakPolarHBondContact O-CB 3.01Å; F562-F566 PolarHBondContact O-N 3.5Å; A563-F566 PolarHBondContact O-N 2.79Å; F566-S568 VanDerWaalsContact C-N 3.32Å; F566-S568 PolarHBondContact O-N 2.88Å; F566-L569 PolarHBondContact O-N 3.35Å; F566-F570 WeakPolarHBondContact O-CB 3.37Å; F566-F570 PolarHBondContact O-N 2.85Å
567A79Confident80.7Confident22 Ų2253.9 Ų53.918%0.18227%0.267CS..Hα-helixtrans-61.8-39.6173.500000112.1A563 L569 F570 E571 I591A563-A567 VanDerWaalsContact O-CB 3.32Å; A563-A567 WeakPolarHBondContact O-CB 3.44Å; A563-A567 PolarHBondContact O-N 3.33Å; A567-L569 VanDerWaalsContact C-N 3.35Å; A567-L569 PolarHBondContact O-N 3.03Å; A567-F570 PolarHBondContact O-N 2.91Å; A567-E571 WeakPolarHBondContact O-CB 3.45Å; A567-E571 PolarHBondContact O-N 2.84Å; A567-I591 HydrophobicContact CB-CG2 4.47Å
568S79.5Confident80.9Confident1 Ų156.7 Ų56.71%0.00728%0.277CS..Hα-helixtrans-62.8-39.9175.1-49.60000112.2V564 V565 F566 I572 R592 R595V564-S568 PolarHBondContact O-N 2.78Å; V564-S568 PolarHBondContact O-OG 3.13Å; V565-S568 WeakPolarHBondContact O-CB 3.07Å; V565-S568 PolarHBondContact O-N 2.66Å; F566-S568 VanDerWaalsContact C-N 3.32Å; F566-S568 PolarHBondContact O-N 2.88Å; S568-I572 PolarHBondContact O-N 2.85Å; S568-R592 WeakPolarHBondContact OG-CG 3.16Å; S568-R592 PolarHBondContact OG-NE 3.45Å; S568-R595 PolarHBondContact OG-NH2 2.94Å
569L82.6Confident80.3Confident65 Ų6560.2 Ų60.234%0.3430%0.3SS..Hα-helixtrans-68.8-43.3175.6-71.8166000111.8L533 L537 V565 F566 A567 E571 I572 V573L533-L569 HydrophobicContact CD2-CD2 4.1Å; L533-L569 HydrophobicContact CD2-CG 4.5Å; L537-L569 HydrophobicContact CD1-CD1 4.09Å; L537-L569 HydrophobicContact CD1-CD2 4.02Å; V565-L569 HydrophobicContact CG1-CD1 4.23Å; V565-L569 WeakPolarHBondContact O-CG 3.22Å; V565-L569 PolarHBondContact O-N 2.71Å; F566-L569 PolarHBondContact O-N 3.35Å; A567-L569 VanDerWaalsContact C-N 3.35Å; A567-L569 PolarHBondContact O-N 3.03Å; L569-E571 VanDerWaalsContact C-N 3.31Å; L569-E571 PolarHBondContact O-N 3.45Å; L569-I572 PolarHBondContact O-N 3.15Å; L569-V573 WeakPolarHBondContact O-CG2 3.42Å; L569-V573 PolarHBondContact O-N 3.25Å; L569-V573 VanDerWaalsContact O-N 3.08Å
570F82.3Confident79Confident88 Ų8861.9 Ų61.939%0.38632%0.319SS..Hα-helixtrans-62-39.7177180-94.3000111.7F566 A567 V573 W574F566-F570 WeakPolarHBondContact O-CB 3.37Å; F566-F570 PolarHBondContact O-N 2.85Å; A567-F570 PolarHBondContact O-N 2.91Å; F570-V573 PolarHBondContact O-N 3.06Å; F570-W574 HydrophobicContact CE1-CE3 4.03Å; F570-W574 AromaticContact CZ-CE3 3.66Å; F570-W574 HydrophobicContact CZ-CE3 3.66Å; F570-W574 HydrophobicContact CZ-CZ3 4.13Å; F570-W574 WeakPolarHBondContact O-CB 3.48Å; F570-W574 PolarHBondContact O-N 3.38Å
571E77Confident77.8Confident1 Ų164.3 Ų64.31%0.00534%0.335CS..Hα-helixtrans-60.4-48.8176.5-166-16215400112A567 L569 V573 W574 Q575 F585 L588 R589 R592A567-E571 WeakPolarHBondContact O-CB 3.45Å; A567-E571 PolarHBondContact O-N 2.84Å; L569-E571 VanDerWaalsContact C-N 3.31Å; L569-E571 PolarHBondContact O-N 3.45Å; E571-V573 VanDerWaalsContact C-N 3.3Å; E571-V573 PolarHBondContact O-N 3.35Å; E571-W574 CarbonylContact O-C 3.31Å; E571-W574 WeakPolarHBondContact O-CA 3.37Å; E571-W574 WeakPolarHBondContact O-CB 3.5Å; E571-W574 PolarHBondContact O-N 3.26Å; E571-Q575 WeakPolarHBondContact O-CG 3.39Å; E571-Q575 PolarHBondContact O-N 2.62Å; E571-Q575 PolarHBondContact OE1-NE2 3.4Å; E571-F585 WeakPolarHBondContact CG-O 3.45Å; E571-L588 HydrophobicContact CB-CB 4.38Å; E571-L588 HydrophobicContact CB-CD1 4.43Å; E571-L588 HydrophobicContact CG-CB 4.2Å; E571-L588 VanDerWaalsContact OE2-C 3.32Å; E571-R589 WeakPolarHBondContact OE1-CG 3.24Å; E571-R589 IonicContact OE1-NE 2.65Å; E571-R589 PolarHBondContact OE1-NE 3.39Å; E571-R589 WeakPolarHBondContact OE2-CG 3.24Å; E571-R589 PolarHBondContact OE2-N 3.33Å; E571-R592 IonicContact OE1-NH2 3.42Å; E571-R592 IonicContact OE2-CZ 2.81Å; E571-R592 IonicContact OE2-NE 2.73Å; E571-R592 IonicContact OE2-NH2 3.86Å; E571-R592 PolarHBondContact OE2-NH2 3.16Å
572I78Confident76.5Confident23 Ų2367 Ų6712%0.11836%0.355CS..Hα-helixtrans-62.9-39.5178.5-67.4172.1000110.9F530 L533 S568 L569 W574 Q575 I576F530-I572 HydrophobicContact CD1-CD1 4.26Å; F530-I572 HydrophobicContact CE1-CD1 3.86Å; F530-I572 HydrophobicContact CE1-CG2 4.16Å; F530-I572 HydrophobicContact CZ-CD1 4.38Å; F530-I572 HydrophobicContact CZ-CG2 4.47Å; L533-I572 HydrophobicContact CD2-CD1 3.38Å; S568-I572 PolarHBondContact O-N 2.85Å; L569-I572 PolarHBondContact O-N 3.15Å; I572-W574 VanDerWaalsContact C-N 3.32Å; I572-W574 PolarHBondContact O-N 3.16Å; I572-Q575 PolarHBondContact O-N 3.47Å; I572-I576 HydrophobicContact CG2-CD1 4.04Å; I572-I576 WeakPolarHBondContact O-CD1 3.27Å; I572-I576 VanDerWaalsContact O-CG1 3.26Å; I572-I576 WeakPolarHBondContact O-CG1 3.35Å; I572-I576 PolarHBondContact O-N 2.97Å; I572-I576 VanDerWaalsContact O-N 3.16Å
573V82.7Confident74.7Confident73 Ų7369.2 Ų69.244%0.44236%0.364SS..Hα-helixtrans-62.3-39.9172.9172.10000111.1L569 F570 E571 I576 F577L569-V573 WeakPolarHBondContact O-CG2 3.42Å; L569-V573 PolarHBondContact O-N 3.25Å; L569-V573 VanDerWaalsContact O-N 3.08Å; F570-V573 PolarHBondContact O-N 3.06Å; E571-V573 VanDerWaalsContact C-N 3.3Å; E571-V573 PolarHBondContact O-N 3.35Å; V573-I576 PolarHBondContact O-N 2.91Å; V573-F577 HydrophobicContact CG1-CD2 3.91Å; V573-F577 HydrophobicContact CG1-CE2 3.75Å; V573-F577 WeakPolarHBondContact O-CD2 3.37Å; V573-F577 PolarHBondContact O-N 2.85Å
574W79.7Confident73.3Confident71 Ų7168.3 Ų68.327%0.26936%0.36SS..Hα-helixtrans-66.2-46.7177-165.8-85000112.3F570 E571 I572 I576 F577 Y578 F585F570-W574 HydrophobicContact CE1-CE3 4.03Å; F570-W574 AromaticContact CZ-CE3 3.66Å; F570-W574 HydrophobicContact CZ-CE3 3.66Å; F570-W574 HydrophobicContact CZ-CZ3 4.13Å; F570-W574 WeakPolarHBondContact O-CB 3.48Å; F570-W574 PolarHBondContact O-N 3.38Å; E571-W574 CarbonylContact O-C 3.31Å; E571-W574 WeakPolarHBondContact O-CA 3.37Å; E571-W574 WeakPolarHBondContact O-CB 3.5Å; E571-W574 PolarHBondContact O-N 3.26Å; I572-W574 VanDerWaalsContact C-N 3.32Å; I572-W574 PolarHBondContact O-N 3.16Å; W574-I576 PolarHBondContact O-N 2.72Å; W574-F577 PolarHBondContact O-N 3.38Å; W574-Y578 AromaticContact CD2-CD2 3.85Å; W574-Y578 HydrophobicContact CD2-CD2 3.85Å; W574-Y578 HydrophobicContact CD2-CE2 4.44Å; W574-Y578 AromaticContact CE2-CD2 3.46Å; W574-Y578 VanDerWaalsContact CE2-CD2 3.46Å; W574-Y578 HydrophobicContact CE3-CD2 4.27Å; W574-Y578 HydrophobicContact CE3-CE2 4.43Å; W574-Y578 HydrophobicContact CG-CD2 4.37Å; W574-Y578 HydrophobicContact CH2-CD2 4.02Å; W574-Y578 AromaticContact CH2-CE2 3.79Å; W574-Y578 HydrophobicContact CH2-CE2 3.79Å; W574-Y578 AromaticContact CZ2-CD2 3.56Å; W574-Y578 HydrophobicContact CZ2-CD2 3.56Å; W574-Y578 AromaticContact CZ2-CE2 3.78Å; W574-Y578 HydrophobicContact CZ2-CE2 3.78Å; W574-Y578 HydrophobicContact CZ2-CG 4.16Å; W574-Y578 HydrophobicContact CZ3-CD2 4.35Å; W574-Y578 HydrophobicContact CZ3-CE2 4.13Å; W574-Y578 AromaticContact NE1-CD2 3.77Å; W574-Y578 AromaticContact NE1-CG 3.97Å; W574-Y578 PolarHBondContact O-N 2.9Å; W574-F585 AromaticContact CD1-CD2 3.85Å; W574-F585 HydrophobicContact CD2-CD2 4.18Å; W574-F585 HydrophobicContact CD2-CE2 4.31Å; W574-F585 AromaticContact CE2-CD2 3.67Å; W574-F585 AromaticContact CE2-CE2 3.67Å; W574-F585 HydrophobicContact CG-CD2 4.29Å; W574-F585 HydrophobicContact CG-CG 4.42Å; W574-F585 HydrophobicContact CH2-CE2 4.35Å; W574-F585 HydrophobicContact CZ2-CD2 4.18Å; W574-F585 AromaticContact CZ2-CE2 3.71Å; W574-F585 HydrophobicContact CZ2-CE2 3.71Å; W574-F585 HydrophobicContact CZ2-CZ 4.42Å; W574-F585 AromaticContact NE1-CD2 3.43Å; W574-F585 AromaticContact NE1-CE2 3.9Å
575Q74.1Confident72.1Confident43 Ų4371.5 Ų71.520%0.20137%0.374CS..Hα-helixtrans-57.5-33176.4-69.3178.713.100112.3E571 I572E571-Q575 WeakPolarHBondContact O-CG 3.39Å; E571-Q575 PolarHBondContact O-N 2.62Å; E571-Q575 PolarHBondContact OE1-NE2 3.4Å; I572-Q575 PolarHBondContact O-N 3.47Å
576I80.9Confident70.6Confident127 Ų12772.8 Ų72.865%0.65138%0.382SS*.Hα-helixtrans-71.9-34.1176.6-70.1164.7000112.3I572 V573 W574I572-I576 HydrophobicContact CG2-CD1 4.04Å; I572-I576 WeakPolarHBondContact O-CD1 3.27Å; I572-I576 VanDerWaalsContact O-CG1 3.26Å; I572-I576 WeakPolarHBondContact O-CG1 3.35Å; I572-I576 PolarHBondContact O-N 2.97Å; I572-I576 VanDerWaalsContact O-N 3.16Å; V573-I576 PolarHBondContact O-N 2.91Å; W574-I576 PolarHBondContact O-N 2.72Å
577F83.7Confident69.3Low150 Ų15067.7 Ų67.766%0.65836%0.363SS*.Hα-helixtrans-86.6-33.2178.1-76.6-63.5000113.7V573 W574V573-F577 HydrophobicContact CG1-CD2 3.91Å; V573-F577 HydrophobicContact CG1-CE2 3.75Å; V573-F577 WeakPolarHBondContact O-CD2 3.37Å; V573-F577 PolarHBondContact O-N 2.85Å; W574-F577 PolarHBondContact O-N 3.38Å
578Y77.5Confident68.5Low107 Ų10768.5 Ų68.542%0.4236%0.364SS..  trans-133.769.1-172.1-63.1-76.9000110.7W574 D581W574-Y578 AromaticContact CD2-CD2 3.85Å; W574-Y578 HydrophobicContact CD2-CD2 3.85Å; W574-Y578 HydrophobicContact CD2-CE2 4.44Å; W574-Y578 AromaticContact CE2-CD2 3.46Å; W574-Y578 VanDerWaalsContact CE2-CD2 3.46Å; W574-Y578 HydrophobicContact CE3-CD2 4.27Å; W574-Y578 HydrophobicContact CE3-CE2 4.43Å; W574-Y578 HydrophobicContact CG-CD2 4.37Å; W574-Y578 HydrophobicContact CH2-CD2 4.02Å; W574-Y578 AromaticContact CH2-CE2 3.79Å; W574-Y578 HydrophobicContact CH2-CE2 3.79Å; W574-Y578 AromaticContact CZ2-CD2 3.56Å; W574-Y578 HydrophobicContact CZ2-CD2 3.56Å; W574-Y578 AromaticContact CZ2-CE2 3.78Å; W574-Y578 HydrophobicContact CZ2-CE2 3.78Å; W574-Y578 HydrophobicContact CZ2-CG 4.16Å; W574-Y578 HydrophobicContact CZ3-CD2 4.35Å; W574-Y578 HydrophobicContact CZ3-CE2 4.13Å; W574-Y578 AromaticContact NE1-CD2 3.77Å; W574-Y578 AromaticContact NE1-CG 3.97Å; W574-Y578 PolarHBondContact O-N 2.9Å; Y578-D581 HydrophobicContact CD1-CB 4.33Å
579P68.5Low67.7Low88 Ų8871.6 Ų71.657%0.57138%0.376SS*.SBendtrans-65.5-43.8177.625.6-33.3000111.5S582P579-S582 PolarHBondContact O-OG 3.31Å
580S58.6Low66.9Low115 Ų11568.6 Ų68.680%0.80436%0.361SS*.SBendtrans-71.6-48.5179.7-38.90000112.1S582S580-S582 PolarHBondContact O-N 3.14Å
581D52.8Low66.1Low112 Ų11267 Ų6760%0.59936%0.355SS*.  trans-77.853174.7-74.3-47000111.6Y578 F583Y578-D581 HydrophobicContact CD1-CB 4.33Å; D581-F583 PolarHBondContact O-N 3.49Å
582S51.8Low65.7Low66 Ų6667.4 Ų67.446%0.46236%0.357SS..  trans-72.156.1166.6-740000110.8P579 S580P579-S582 PolarHBondContact O-OG 3.31Å; S580-S582 PolarHBondContact O-N 3.14Å
583F49.6Very low65.2Low119 Ų11966.4 Ų66.452%0.52235%0.352SS..  trans-54.6174.1163.5-147.3-98.3000109.8D581 F585 S586 Q1107D581-F583 PolarHBondContact O-N 3.49Å; F583-F585 HydrophobicContact CB-CD2 4.15Å; F583-F585 HydrophobicContact CB-CE2 4.45Å; F583-F585 WeakPolarHBondContact O-CA 3.34Å; F583-F585 PolarHBondContact O-N 3.35Å; F583-S586 PolarHBondContact O-N 2.95Å; F583-S586 VanDerWaalsContact O-N 3.1Å; F583-Q1107 HydrophobicContact CE1-CG 4.12Å; F583-Q1107 HydrophobicContact CE2-CG 4.42Å; F583-Q1107 HydrophobicContact CZ-CB 4.31Å; F583-Q1107 HydrophobicContact CZ-CG 3.65Å
584G52.4Low64.5Low32 Ų3265.3 Ų65.333%0.3334%0.343SS..G310 helixtrans-52.5-3.8-171.900000118.1S586 A587G584-S586 PolarHBondContact O-N 3.29Å; G584-A587 WeakPolarHBondContact O-CB 3.47Å; G584-A587 PolarHBondContact O-N 3.04Å
585F54.5Low64.1Low73 Ų7362.1 Ų62.132%0.3233%0.331SS..G310 helixtrans-48.4-32.8160.1-59.2-61.8000113.8E571 W574 F583 A587 L588E571-F585 WeakPolarHBondContact CG-O 3.45Å; W574-F585 AromaticContact CD1-CD2 3.85Å; W574-F585 HydrophobicContact CD2-CD2 4.18Å; W574-F585 HydrophobicContact CD2-CE2 4.31Å; W574-F585 AromaticContact CE2-CD2 3.67Å; W574-F585 AromaticContact CE2-CE2 3.67Å; W574-F585 HydrophobicContact CG-CD2 4.29Å; W574-F585 HydrophobicContact CG-CG 4.42Å; W574-F585 HydrophobicContact CH2-CE2 4.35Å; W574-F585 HydrophobicContact CZ2-CD2 4.18Å; W574-F585 AromaticContact CZ2-CE2 3.71Å; W574-F585 HydrophobicContact CZ2-CE2 3.71Å; W574-F585 HydrophobicContact CZ2-CZ 4.42Å; W574-F585 AromaticContact NE1-CD2 3.43Å; W574-F585 AromaticContact NE1-CE2 3.9Å; F583-F585 HydrophobicContact CB-CD2 4.15Å; F583-F585 HydrophobicContact CB-CE2 4.45Å; F583-F585 WeakPolarHBondContact O-CA 3.34Å; F583-F585 PolarHBondContact O-N 3.35Å; F585-A587 PolarHBondContact O-N 3.46Å; F585-L588 HydrophobicContact CB-CD1 4.3Å; F585-L588 HydrophobicContact CD1-CD1 3.95Å; F585-L588 WeakPolarHBondContact O-CB 3.31Å; F585-L588 WeakPolarHBondContact O-CG 3.45Å; F585-L588 PolarHBondContact O-N 2.85Å
586S53.3Low64.1Low29 Ų2960.6 Ų60.620%0.20332%0.324CS..G310 helixtrans-66.4-15.5174.2-169.40000114F583 G584 L588 R589F583-S586 PolarHBondContact O-N 2.95Å; F583-S586 VanDerWaalsContact O-N 3.1Å; G584-S586 PolarHBondContact O-N 3.29Å; S586-L588 VanDerWaalsContact C-N 3.3Å; S586-R589 WeakPolarHBondContact O-CG 3.28Å; S586-R589 PolarHBondContact OG-NE 3.09Å; S586-R589 PolarHBondContact OG-NH2 2.85Å
587A57.6Low63.6Low17 Ų1755.8 Ų55.814%0.1430%0.299CS..G310 helixtrans-83.8-3.617000000112.7G584 F585 R589 S590 L1018G584-A587 WeakPolarHBondContact O-CB 3.47Å; G584-A587 PolarHBondContact O-N 3.04Å; F585-A587 PolarHBondContact O-N 3.46Å; A587-R589 PolarHBondContact O-N 3.25Å; A587-S590 WeakPolarHBondContact O-CB 3.44Å; A587-S590 PolarHBondContact O-N 3.45Å; A587-L1018 HydrophobicContact CB-CD2 3.78Å; A587-L1018 HydrophobicContact CB-CG 4.1Å
588L61.2Low63Low39 Ų3949.2 Ų49.220%0.20427%0.27CS..Hα-helixtrans-66.6-15169-57.4176.6000112E571 F585 S586 S590 I591E571-L588 HydrophobicContact CB-CB 4.38Å; E571-L588 HydrophobicContact CB-CD1 4.43Å; E571-L588 HydrophobicContact CG-CB 4.2Å; E571-L588 VanDerWaalsContact OE2-C 3.32Å; F585-L588 HydrophobicContact CB-CD1 4.3Å; F585-L588 HydrophobicContact CD1-CD1 3.95Å; F585-L588 WeakPolarHBondContact O-CB 3.31Å; F585-L588 WeakPolarHBondContact O-CG 3.45Å; F585-L588 PolarHBondContact O-N 2.85Å; S586-L588 VanDerWaalsContact C-N 3.3Å; L588-S590 PolarHBondContact O-N 3.32Å; L588-I591 HydrophobicContact CD2-CD1 3.42Å; L588-I591 VanDerWaalsContact CD2-CD1 3.42Å; L588-I591 HydrophobicContact CD2-CG1 4.22Å; L588-I591 WeakPolarHBondContact O-CB 3.36Å; L588-I591 PolarHBondContact O-N 3.22Å
589R62.8Low62.7Low65 Ų6546.1 Ų46.125%0.24526%0.26CS..Hα-helixtrans-55.5-42.8165.5-57.3-175.3-151.4177.99.7110.8E529 E571 S586 A587 I591 R592E529-R589 IonicContact OE2-NE 2.7Å; E571-R589 WeakPolarHBondContact OE1-CG 3.24Å; E571-R589 IonicContact OE1-NE 2.65Å; E571-R589 PolarHBondContact OE1-NE 3.39Å; E571-R589 WeakPolarHBondContact OE2-CG 3.24Å; E571-R589 PolarHBondContact OE2-N 3.33Å; S586-R589 WeakPolarHBondContact O-CG 3.28Å; S586-R589 PolarHBondContact OG-NE 3.09Å; S586-R589 PolarHBondContact OG-NH2 2.85Å; A587-R589 PolarHBondContact O-N 3.25Å; R589-I591 VanDerWaalsContact C-N 3.28Å; R589-I591 PolarHBondContact O-N 2.9Å; R589-R592 WeakPolarHBondContact O-CB 3.29Å; R589-R592 WeakPolarHBondContact O-CG 3.39Å; R589-R592 PolarHBondContact O-N 2.93Å
590S65.2Low62.7Low3 Ų342 Ų422%0.02123%0.233CC..Hα-helixtrans-68.2-19.4175.1-78.70000114.3A587 L588 R592 L593 Q1017A587-S590 WeakPolarHBondContact O-CB 3.44Å; A587-S590 PolarHBondContact O-N 3.45Å; L588-S590 PolarHBondContact O-N 3.32Å; S590-R592 PolarHBondContact O-N 3.47Å; S590-R592 VanDerWaalsContact O-N 3.15Å; S590-L593 WeakPolarHBondContact O-CB 3.34Å; S590-L593 WeakPolarHBondContact O-CG 3.49Å; S590-L593 PolarHBondContact O-N 2.85Å; S590-Q1017 PolarHBondContact OG-OE1 3.37Å
591I66.2Low63.1Low54 Ų5441.7 Ų41.728%0.27721%0.214SC..Hα-helixtrans-61.7-22.7168.4-69.6-170.2000111.1V564 A567 L588 R589 L593 L594V564-I591 HydrophobicContact CG1-CG2 4.3Å; V564-I591 WeakPolarHBondContact CG1-O 3.37Å; V564-I591 HydrophobicContact CG2-CG2 4.06Å; A567-I591 HydrophobicContact CB-CG2 4.47Å; L588-I591 HydrophobicContact CD2-CD1 3.42Å; L588-I591 VanDerWaalsContact CD2-CD1 3.42Å; L588-I591 HydrophobicContact CD2-CG1 4.22Å; L588-I591 WeakPolarHBondContact O-CB 3.36Å; L588-I591 PolarHBondContact O-N 3.22Å; R589-I591 VanDerWaalsContact C-N 3.28Å; R589-I591 PolarHBondContact O-N 2.9Å; I591-L593 VanDerWaalsContact C-N 3.26Å; I591-L593 PolarHBondContact O-N 3.19Å; I591-L594 HydrophobicContact CB-CD1 4.46Å; I591-L594 HydrophobicContact CG1-CD1 4.5Å; I591-L594 HydrophobicContact CG2-CD1 4.02Å; I591-L594 WeakPolarHBondContact O-CB 3.27Å; I591-L594 WeakPolarHBondContact O-CG 3.29Å; I591-L594 PolarHBondContact O-N 3.2Å; I591-L594 VanDerWaalsContact O-N 3.09Å
592R67.9Low63.4Low9 Ų939.3 Ų39.33%0.03420%0.197CC..G310 helixtrans-71.2-22174.1-48.6172.7-160.8-163.717111.9E529 S568 E571 R589 S590 L594 R595E529-R592 IonicContact OE1-CZ 2.72Å; E529-R592 IonicContact OE1-NH1 2.81Å; E529-R592 PolarHBondContact OE1-NH1 2.92Å; E529-R592 IonicContact OE1-NH2 3.72Å; E529-R592 PolarHBondContact OE1-NH2 3.44Å; S568-R592 WeakPolarHBondContact OG-CG 3.16Å; S568-R592 PolarHBondContact OG-NE 3.45Å; E571-R592 IonicContact OE1-NH2 3.42Å; E571-R592 IonicContact OE2-CZ 2.81Å; E571-R592 IonicContact OE2-NE 2.73Å; E571-R592 IonicContact OE2-NH2 3.86Å; E571-R592 PolarHBondContact OE2-NH2 3.16Å; R589-R592 WeakPolarHBondContact O-CB 3.29Å; R589-R592 WeakPolarHBondContact O-CG 3.39Å; R589-R592 PolarHBondContact O-N 2.93Å; S590-R592 PolarHBondContact O-N 3.47Å; S590-R592 VanDerWaalsContact O-N 3.15Å; R592-L594 PolarHBondContact O-N 2.92Å; R592-R595 VanDerWaalsContact O-CB 3.25Å; R592-R595 WeakPolarHBondContact O-CB 3.4Å; R592-R595 VanDerWaalsContact O-CD 3.24Å; R592-R595 WeakPolarHBondContact O-CD 3.27Å; R592-R595 WeakPolarHBondContact O-CG 3.42Å; R592-R595 PolarHBondContact O-N 3.14Å
593L67.9Low64Low3 Ų343.9 Ų43.92%0.01621%0.205CC..G310 helixtrans-66.8-27169.4-57170.2000111.7A507 V510 S590 I591 R595 I596 I1010 I1013A507-L593 HydrophobicContact CB-CD2 4.06Å; V510-L593 HydrophobicContact CB-CD2 4.28Å; S590-L593 WeakPolarHBondContact O-CB 3.34Å; S590-L593 WeakPolarHBondContact O-CG 3.49Å; S590-L593 PolarHBondContact O-N 2.85Å; I591-L593 VanDerWaalsContact C-N 3.26Å; I591-L593 PolarHBondContact O-N 3.19Å; L593-R595 PolarHBondContact O-N 3.17Å; L593-I596 WeakPolarHBondContact O-CB 3.23Å; L593-I596 WeakPolarHBondContact O-CG2 3.33Å; L593-I596 PolarHBondContact O-N 3.01Å; L593-I1010 HydrophobicContact CB-CG1 4.47Å; L593-I1010 HydrophobicContact CB-CG2 4.26Å; L593-I1010 HydrophobicContact CD1-CG2 4.33Å; L593-I1013 HydrophobicContact CD1-CB 3.67Å; L593-I1013 HydrophobicContact CD1-CD1 3.83Å; L593-I1013 HydrophobicContact CD1-CG1 4.37Å; L593-I1013 HydrophobicContact CD1-CG2 3.65Å; L593-I1013 HydrophobicContact CD2-CD1 4.2Å
594L69.1Low64.6Low49 Ų4940.9 Ų40.926%0.25720%0.202SC..G310 helixtrans-59.8-17.8174.9-52.7-177.3000112.1F560 I591 R592 I596 F597 I1010F560-L594 HydrophobicContact CE1-CB 4.47Å; F560-L594 VanDerWaalsContact CE1-O 3.24Å; F560-L594 WeakPolarHBondContact CE1-O 3.37Å; F560-L594 HydrophobicContact CE2-CB 4.21Å; F560-L594 HydrophobicContact CZ-CB 3.65Å; F560-L594 WeakPolarHBondContact CZ-O 3.28Å; I591-L594 HydrophobicContact CB-CD1 4.46Å; I591-L594 HydrophobicContact CG1-CD1 4.5Å; I591-L594 HydrophobicContact CG2-CD1 4.02Å; I591-L594 WeakPolarHBondContact O-CB 3.27Å; I591-L594 WeakPolarHBondContact O-CG 3.29Å; I591-L594 PolarHBondContact O-N 3.2Å; I591-L594 VanDerWaalsContact O-N 3.09Å; R592-L594 PolarHBondContact O-N 2.92Å; L594-I596 PolarHBondContact O-N 3.24Å; L594-I596 VanDerWaalsContact O-N 3.1Å; L594-F597 HydrophobicContact CB-CD2 4.16Å; L594-F597 HydrophobicContact CD2-CD2 4.26Å; L594-F597 HydrophobicContact CD2-CE2 3.83Å; L594-F597 VanDerWaalsContact O-CB 3.31Å; L594-F597 WeakPolarHBondContact O-CB 3.41Å; L594-F597 VanDerWaalsContact O-CD2 3.3Å; L594-F597 WeakPolarHBondContact O-CD2 3.33Å; L594-F597 PolarHBondContact O-N 3.1Å; L594-I1010 HydrophobicContact CD2-CG2 4.45Å
595R71.1Confident65Low4 Ų442.7 Ų42.72%0.01521%0.209CC..G310 helixtrans-55-26.3168.3-61.3170.5-165.8-83.20.5112.6V503 F536 V564 S568 R592 L593 F597 K598V503-R595 HydrophobicContact CB-CB 4.43Å; V503-R595 VanDerWaalsContact CG1-C 3.5Å; V503-R595 HydrophobicContact CG1-CB 3.8Å; V503-R595 WeakPolarHBondContact CG1-O 3.04Å; V503-R595 HydrophobicContact CG2-CB 3.77Å; F536-R595 VanDerWaalsContact CD2-CZ 3.4Å; V564-R595 HydrophobicContact CG1-CG 3.96Å; S568-R595 PolarHBondContact OG-NH2 2.94Å; R592-R595 VanDerWaalsContact O-CB 3.25Å; R592-R595 WeakPolarHBondContact O-CB 3.4Å; R592-R595 VanDerWaalsContact O-CD 3.24Å; R592-R595 WeakPolarHBondContact O-CD 3.27Å; R592-R595 WeakPolarHBondContact O-CG 3.42Å; R592-R595 PolarHBondContact O-N 3.14Å; L593-R595 PolarHBondContact O-N 3.17Å; R595-F597 PolarHBondContact O-N 3.09Å; R595-K598 VanDerWaalsContact O-CB 3.28Å; R595-K598 WeakPolarHBondContact O-CB 3.39Å; R595-K598 WeakPolarHBondContact O-CG 3.31Å; R595-K598 PolarHBondContact O-N 2.89Å
596I73.5Confident65.5Low11 Ų1140.2 Ų40.26%0.05620%0.199CC..G310 helixtrans-59.9-24.1175.7-149.9158.5000112.1A507 L593 L594 K598 I599 L1006 I1010A507-I596 HydrophobicContact CB-CD1 4.32Å; L593-I596 WeakPolarHBondContact O-CB 3.23Å; L593-I596 WeakPolarHBondContact O-CG2 3.33Å; L593-I596 PolarHBondContact O-N 3.01Å; L594-I596 PolarHBondContact O-N 3.24Å; L594-I596 VanDerWaalsContact O-N 3.1Å; I596-K598 PolarHBondContact O-N 3.24Å; I596-K598 VanDerWaalsContact O-N 3.08Å; I596-I599 HydrophobicContact CG1-CD1 3.76Å; I596-I599 WeakPolarHBondContact O-CB 3.5Å; I596-I599 WeakPolarHBondContact O-CG1 3.46Å; I596-I599 PolarHBondContact O-N 2.99Å; I596-L1006 HydrophobicContact CD1-CD1 3.75Å; I596-L1006 HydrophobicContact CG1-CD1 4.22Å; I596-L1006 HydrophobicContact CG2-CD1 4.39Å; I596-I1010 HydrophobicContact CG2-CD1 3.77Å; I596-I1010 HydrophobicContact CG2-CG1 4.43Å
597F70.2Confident66.2Low27 Ų2742.2 Ų42.212%0.11820%0.202CC..G310 helixtrans-60.9-15.3170.6-73.8-76.1000113.5F560 L594 R595 I599 T600 F1007 I1010F560-F597 HydrophobicContact CE1-CB 4.17Å; F560-F597 HydrophobicContact CZ-CB 3.98Å; F560-F597 HydrophobicContact CZ-CD2 4.1Å; F560-F597 HydrophobicContact CZ-CG 4.39Å; L594-F597 HydrophobicContact CB-CD2 4.16Å; L594-F597 HydrophobicContact CD2-CD2 4.26Å; L594-F597 HydrophobicContact CD2-CE2 3.83Å; L594-F597 VanDerWaalsContact O-CB 3.31Å; L594-F597 WeakPolarHBondContact O-CB 3.41Å; L594-F597 VanDerWaalsContact O-CD2 3.3Å; L594-F597 WeakPolarHBondContact O-CD2 3.33Å; L594-F597 PolarHBondContact O-N 3.1Å; R595-F597 PolarHBondContact O-N 3.09Å; F597-I599 PolarHBondContact O-N 3.07Å; F597-T600 HydrophobicContact CD1-CG2 3.83Å; F597-T600 WeakPolarHBondContact O-CB 3.13Å; F597-T600 PolarHBondContact O-N 3.33Å; F597-T600 VanDerWaalsContact O-N 3.12Å; F597-T600 PolarHBondContact O-OG1 3.1Å; F597-F1007 HydrophobicContact CE1-CD2 4.43Å; F597-F1007 HydrophobicContact CE1-CE1 4.44Å; F597-F1007 AromaticContact CE1-CE2 3.5Å; F597-F1007 HydrophobicContact CE1-CE2 3.5Å; F597-F1007 AromaticContact CE1-CZ 3.52Å; F597-F1007 HydrophobicContact CE1-CZ 3.52Å; F597-F1007 HydrophobicContact CZ-CD1 4.5Å; F597-F1007 HydrophobicContact CZ-CD2 4.23Å; F597-F1007 AromaticContact CZ-CE1 3.87Å; F597-F1007 HydrophobicContact CZ-CE1 3.87Å; F597-F1007 AromaticContact CZ-CE2 3.58Å; F597-F1007 HydrophobicContact CZ-CE2 3.58Å; F597-F1007 AromaticContact CZ-CZ 3.39Å; F597-F1007 HydrophobicContact CZ-CZ 3.39Å; F597-I1010 HydrophobicContact CE2-CD1 4.1Å; F597-I1010 HydrophobicContact CZ-CD1 4.37Å
598K70.6Confident66.6Low11 Ų1142.4 Ų42.45%0.04820%0.201CC..G310 helixtrans-53.2-39.4166.9-74.9-172.1-177.9-178.50111.6V499 V503 E539 D561 R595 I596 T600 R601 Y602V499-K598 HydrophobicContact CG1-CD 3.87Å; V503-K598 HydrophobicContact CG2-CD 4.25Å; E539-K598 IonicContact OE1-NZ 3.01Å; E539-K598 PolarHBondContact OE1-NZ 3.34Å; E539-K598 IonicContact OE2-NZ 3.71Å; E539-K598 PolarHBondContact OE2-NZ 3.33Å; D561-K598 WeakPolarHBondContact OD1-CE 3.48Å; D561-K598 IonicContact OD1-NZ 3.22Å; D561-K598 PolarHBondContact OD1-NZ 3.47Å; D561-K598 WeakPolarHBondContact OD2-CE 3.38Å; D561-K598 IonicContact OD2-NZ 3.83Å; D561-K598 PolarHBondContact OD2-NZ 3.44Å; R595-K598 VanDerWaalsContact O-CB 3.28Å; R595-K598 WeakPolarHBondContact O-CB 3.39Å; R595-K598 WeakPolarHBondContact O-CG 3.31Å; R595-K598 PolarHBondContact O-N 2.89Å; I596-K598 PolarHBondContact O-N 3.24Å; I596-K598 VanDerWaalsContact O-N 3.08Å; K598-T600 PolarHBondContact O-N 3.33Å; K598-R601 WeakPolarHBondContact O-CB 3.49Å; K598-R601 PolarHBondContact O-N 3.02Å; K598-Y602 WeakPolarHBondContact O-CD2 3.5Å; K598-Y602 WeakPolarHBondContact O-CE2 3.18Å
599I71Confident66.8Low42 Ų4241.6 Ų41.622%0.21520%0.197CC..G310 helixtrans-58.8-35.4-179.3-58.2175.2000111.4I500 L504 I596 F597 R601 Y602I500-I599 HydrophobicContact CG2-CG1 4.34Å; L504-I599 HydrophobicContact CD2-CD1 3.79Å; L504-I599 HydrophobicContact CG-CD1 4.24Å; I596-I599 HydrophobicContact CG1-CD1 3.76Å; I596-I599 WeakPolarHBondContact O-CB 3.5Å; I596-I599 WeakPolarHBondContact O-CG1 3.46Å; I596-I599 PolarHBondContact O-N 2.99Å; F597-I599 PolarHBondContact O-N 3.07Å; I599-R601 PolarHBondContact O-N 3.36Å; I599-Y602 WeakPolarHBondContact O-CD2 3.45Å; I599-Y602 PolarHBondContact O-N 3.25Å
600T69.8Low66.9Low2 Ų239.3 Ų39.31%0.01219%0.19CC..G310 helixtrans-60.4-31.6-178.571.20000113.1F597 K598 Y602 L606 R607 V610F597-T600 HydrophobicContact CD1-CG2 3.83Å; F597-T600 WeakPolarHBondContact O-CB 3.13Å; F597-T600 PolarHBondContact O-N 3.33Å; F597-T600 VanDerWaalsContact O-N 3.12Å; F597-T600 PolarHBondContact O-OG1 3.1Å; K598-T600 PolarHBondContact O-N 3.33Å; T600-Y602 PolarHBondContact O-N 3.13Å; T600-L606 HydrophobicContact CG2-CD1 4.17Å; T600-L606 HydrophobicContact CG2-CD2 3.61Å; T600-L606 HydrophobicContact CG2-CG 4.42Å; T600-R607 WeakPolarHBondContact O-CA 3.32Å; T600-R607 VanDerWaalsContact O-CB 3.24Å; T600-R607 WeakPolarHBondContact O-CB 3.31Å; T600-R607 PolarHBondContact O-N 3.07Å; T600-V610 HydrophobicContact CG2-CG2 4.3Å
601R66.2Low67Low108 Ų10842.5 Ų42.541%0.40821%0.207SC..G310 helixtrans-60.1-20.9-179177.8176.9168.1-156.5-3.9113F557 K598 I599F557-R601 HydrophobicContact CE1-CB 4.32Å; F557-R601 HydrophobicContact CE2-CB 4.35Å; F557-R601 HydrophobicContact CE2-CG 4.36Å; F557-R601 HydrophobicContact CZ-CB 4.09Å; K598-R601 WeakPolarHBondContact O-CB 3.49Å; K598-R601 PolarHBondContact O-N 3.02Å; I599-R601 PolarHBondContact O-N 3.36Å
602Y60.2Low66.9Low62 Ų6240.6 Ų40.624%0.24320%0.198CC..THydrogen-bonded Turntrans-104.9-36.4-168.1-40.2-42.9000112.2Y496 I500 K598 I599 T600 A604Y496-Y602 AromaticContact CD2-CE1 3.95Å; Y496-Y602 HydrophobicContact CD2-CE1 3.95Å; Y496-Y602 AromaticContact CE2-CD1 3.44Å; Y496-Y602 HydrophobicContact CE2-CD1 3.44Å; Y496-Y602 VanDerWaalsContact CE2-CD1 3.44Å; Y496-Y602 HydrophobicContact CE2-CD2 4.49Å; Y496-Y602 AromaticContact CE2-CE1 3.09Å; Y496-Y602 HydrophobicContact CE2-CE1 3.09Å; Y496-Y602 HydrophobicContact CE2-CE2 4.21Å; Y496-Y602 HydrophobicContact CE2-CG 4.15Å; Y496-Y602 AromaticContact CE2-CZ 3.51Å; Y496-Y602 AromaticContact CZ-CD1 3.58Å; Y496-Y602 AromaticContact CZ-CE1 3.64Å; Y496-Y602 AromaticContact CZ-CG 3.83Å; Y496-Y602 AromaticContact CZ-CZ 3.89Å; Y496-Y602 WeakPolarHBondContact OH-CB 3.41Å; Y496-Y602 WeakPolarHBondContact OH-CD1 3.31Å; I500-Y602 HydrophobicContact CD1-CD2 3.81Å; I500-Y602 HydrophobicContact CD1-CE2 3.27Å; I500-Y602 HydrophobicContact CG1-CE2 3.67Å; K598-Y602 WeakPolarHBondContact O-CD2 3.5Å; K598-Y602 WeakPolarHBondContact O-CE2 3.18Å; I599-Y602 WeakPolarHBondContact O-CD2 3.45Å; I599-Y602 PolarHBondContact O-N 3.25Å; T600-Y602 PolarHBondContact O-N 3.13Å; Y602-A604 PolarHBondContact O-N 2.98Å; Y602-A604 VanDerWaalsContact O-N 3.14Å
603W63.6Low66.7Low163 Ų16341.5 Ų41.562%0.61720%0.203SC*.SBendtrans-7499.2167.7-7664.8000108.8S605 L606 R607W603-S605 VanDerWaalsContact C-N 3.28Å; W603-S605 PolarHBondContact O-N 3Å; W603-L606 HydrophobicContact CB-CB 3.64Å; W603-L606 HydrophobicContact CB-CD1 4.41Å; W603-L606 PolarHBondContact O-N 3.39Å; W603-R607 PolarHBondContact O-N 3.26Å
604A62.6Low66.7Low55 Ų5545.6 Ų45.646%0.45523%0.225SC..Hα-helixtrans-54.9-40.4-171.500000113.6Y602 N608Y602-A604 PolarHBondContact O-N 2.98Å; Y602-A604 VanDerWaalsContact O-N 3.14Å; A604-N608 WeakPolarHBondContact O-CB 3.48Å; A604-N608 VanDerWaalsContact O-CG 3.29Å; A604-N608 PolarHBondContact O-N 3.08Å; A604-N608 PolarHBondContact O-OD1 2.85Å
605S60.9Low66.6Low70 Ų7047.3 Ų47.349%0.4923%0.234SC..Hα-helixtrans-60.3-52.3172.4174.70000111.8W603 R607 N608 L609W603-S605 VanDerWaalsContact C-N 3.28Å; W603-S605 PolarHBondContact O-N 3Å; S605-R607 VanDerWaalsContact C-N 3.33Å; S605-R607 PolarHBondContact O-N 3.22Å; S605-N608 PolarHBondContact O-N 3.39Å; S605-L609 WeakPolarHBondContact O-CB 3.32Å; S605-L609 PolarHBondContact O-N 3.46Å
606L64Low66.4Low21 Ų2147.1 Ų47.111%0.1123%0.234CC..Hα-helixtrans-62.6-38.2-179.6-140.2-178.5000111.8T600 W603 V610 V1003T600-L606 HydrophobicContact CG2-CD1 4.17Å; T600-L606 HydrophobicContact CG2-CD2 3.61Å; T600-L606 HydrophobicContact CG2-CG 4.42Å; W603-L606 HydrophobicContact CB-CB 3.64Å; W603-L606 HydrophobicContact CB-CD1 4.41Å; W603-L606 PolarHBondContact O-N 3.39Å; L606-V610 HydrophobicContact CD2-CG2 3.73Å; L606-V610 WeakPolarHBondContact O-CB 3.38Å; L606-V610 WeakPolarHBondContact O-CG2 3.41Å; L606-V610 PolarHBondContact O-N 2.95Å; L606-V1003 HydrophobicContact CD1-CG2 4.09Å; L606-V1003 HydrophobicContact CD2-CG1 4.42Å; L606-V1003 HydrophobicContact CD2-CG2 3.76Å; L606-V1003 HydrophobicContact CG-CG2 3.7Å
607R68.2Low66.3Low71 Ų7151.2 Ų51.227%0.26825%0.254SS..Hα-helixtrans-62.8-50.5172.5-168.1-167.762.2-133.2-9111.7T600 W603 S605 L609 V610 L611T600-R607 WeakPolarHBondContact O-CA 3.32Å; T600-R607 VanDerWaalsContact O-CB 3.24Å; T600-R607 WeakPolarHBondContact O-CB 3.31Å; T600-R607 PolarHBondContact O-N 3.07Å; W603-R607 PolarHBondContact O-N 3.26Å; S605-R607 VanDerWaalsContact C-N 3.33Å; S605-R607 PolarHBondContact O-N 3.22Å; R607-L609 VanDerWaalsContact C-N 3.26Å; R607-L609 PolarHBondContact O-N 3.1Å; R607-V610 PolarHBondContact O-N 3.29Å; R607-L611 HydrophobicContact CG-CD1 4.01Å; R607-L611 HydrophobicContact CG-CG 4.47Å; R607-L611 WeakPolarHBondContact O-CB 3.47Å; R607-L611 VanDerWaalsContact O-CG 3.27Å; R607-L611 WeakPolarHBondContact O-CG 3.11Å; R607-L611 PolarHBondContact O-N 3.31Å
608N67.1Low66.1Low22 Ų2260.4 Ų60.412%0.11829%0.288CS..Hα-helixtrans-63.6-37.3-178.5-76.916.4000110.4A604 S605 S612 T731A604-N608 WeakPolarHBondContact O-CB 3.48Å; A604-N608 VanDerWaalsContact O-CG 3.29Å; A604-N608 PolarHBondContact O-N 3.08Å; A604-N608 PolarHBondContact O-OD1 2.85Å; S605-N608 PolarHBondContact O-N 3.39Å; N608-S612 PolarHBondContact O-N 2.79Å; N608-T731 PolarHBondContact ND2-OG1 3.09Å
609L64Low66Low21 Ų2162 Ų6211%0.1130%0.301CS..Hα-helixtrans-62.2-56.2171.3-177.8135.5000111.7S605 R607 L611 S612 L613 I1000S605-L609 WeakPolarHBondContact O-CB 3.32Å; S605-L609 PolarHBondContact O-N 3.46Å; R607-L609 VanDerWaalsContact C-N 3.26Å; R607-L609 PolarHBondContact O-N 3.1Å; L609-L611 VanDerWaalsContact C-N 3.27Å; L609-L611 PolarHBondContact O-N 2.94Å; L609-S612 CarbonylContact O-C 3Å; L609-S612 VanDerWaalsContact O-CA 3.28Å; L609-S612 WeakPolarHBondContact O-CA 3.44Å; L609-S612 VanDerWaalsContact O-CB 3.24Å; L609-S612 WeakPolarHBondContact O-CB 3.47Å; L609-S612 PolarHBondContact O-N 3.2Å; L609-L613 HydrophobicContact CD2-CD1 3.77Å; L609-L613 HydrophobicContact CD2-CD2 4.16Å; L609-L613 HydrophobicContact CD2-CG 3.98Å; L609-L613 HydrophobicContact CG-CD2 4.31Å; L609-L613 HydrophobicContact CG-CG 4.44Å; L609-L613 WeakPolarHBondContact O-CG 3.42Å; L609-L613 PolarHBondContact O-N 2.92Å; L609-I1000 HydrophobicContact CD1-CD1 3.33Å
610V66.3Low66Low18 Ų1861 Ų6111%0.10930%0.295CS..Hα-helixtrans-59.2-36.7179.5168.60000111.9T600 L606 R607 S612 L613 L614T600-V610 HydrophobicContact CG2-CG2 4.3Å; L606-V610 HydrophobicContact CD2-CG2 3.73Å; L606-V610 WeakPolarHBondContact O-CB 3.38Å; L606-V610 WeakPolarHBondContact O-CG2 3.41Å; L606-V610 PolarHBondContact O-N 2.95Å; R607-V610 PolarHBondContact O-N 3.29Å; V610-S612 VanDerWaalsContact C-N 3.33Å; V610-L613 PolarHBondContact O-N 3.23Å; V610-L614 HydrophobicContact CG1-CD1 4.08Å; V610-L614 HydrophobicContact CG1-CG 4.45Å; V610-L614 WeakPolarHBondContact O-CB 3.26Å; V610-L614 VanDerWaalsContact O-CG 3.31Å; V610-L614 WeakPolarHBondContact O-CG 3.26Å; V610-L614 PolarHBondContact O-N 2.65Å
611L67Low66.2Low70 Ų7065.6 Ų65.637%0.36632%0.319SS..Hα-helixtrans-65.2-34.8171.5-71.7171000112.3R607 L609 N615R607-L611 HydrophobicContact CG-CD1 4.01Å; R607-L611 HydrophobicContact CG-CG 4.47Å; R607-L611 WeakPolarHBondContact O-CB 3.47Å; R607-L611 VanDerWaalsContact O-CG 3.27Å; R607-L611 WeakPolarHBondContact O-CG 3.11Å; R607-L611 PolarHBondContact O-N 3.31Å; L609-L611 VanDerWaalsContact C-N 3.27Å; L609-L611 PolarHBondContact O-N 2.94Å; L611-N615 WeakPolarHBondContact O-CB 3.44Å; L611-N615 PolarHBondContact O-N 3Å; L611-N615 PolarHBondContact O-ND2 2.88Å
612S64.3Low66.4Low13 Ų1361.7 Ų61.79%0.09131%0.308CS..Hα-helixtrans-66.9-43.4169.5-1630000112N608 L609 V610 L614 N615 A616 N723N608-S612 PolarHBondContact O-N 2.79Å; L609-S612 CarbonylContact O-C 3Å; L609-S612 VanDerWaalsContact O-CA 3.28Å; L609-S612 WeakPolarHBondContact O-CA 3.44Å; L609-S612 VanDerWaalsContact O-CB 3.24Å; L609-S612 WeakPolarHBondContact O-CB 3.47Å; L609-S612 PolarHBondContact O-N 3.2Å; V610-S612 VanDerWaalsContact C-N 3.33Å; S612-L614 VanDerWaalsContact C-N 3.3Å; S612-L614 PolarHBondContact O-N 3.31Å; S612-N615 PolarHBondContact O-N 3.5Å; S612-A616 VanDerWaalsContact O-CB 3.29Å; S612-A616 WeakPolarHBondContact O-CB 3.49Å; S612-A616 PolarHBondContact O-N 3.3Å; S612-N723 PolarHBondContact OG-O 3.26Å
613L64.1Low67Low28 Ų2859 Ų5915%0.14730%0.298CS..Hα-helixtrans-60.5-39.5175.6-47.7-173.6000111.3L609 V610 A616 M617 F1122 I1126L609-L613 HydrophobicContact CD2-CD1 3.77Å; L609-L613 HydrophobicContact CD2-CD2 4.16Å; L609-L613 HydrophobicContact CD2-CG 3.98Å; L609-L613 HydrophobicContact CG-CD2 4.31Å; L609-L613 HydrophobicContact CG-CG 4.44Å; L609-L613 WeakPolarHBondContact O-CG 3.42Å; L609-L613 PolarHBondContact O-N 2.92Å; V610-L613 PolarHBondContact O-N 3.23Å; L613-A616 CarbonylContact O-C 3.55Å; L613-A616 WeakPolarHBondContact O-CB 3.39Å; L613-A616 PolarHBondContact O-N 3.28Å; L613-M617 PolarHBondContact O-N 3.3Å; L613-F1122 HydrophobicContact CB-CE1 4.38Å; L613-F1122 HydrophobicContact CB-CZ 4.15Å; L613-F1122 HydrophobicContact CD1-CE1 4.15Å; L613-F1122 HydrophobicContact CD2-CE1 3.96Å; L613-F1122 HydrophobicContact CD2-CZ 3.62Å; L613-F1122 HydrophobicContact CG-CE1 4.36Å; L613-F1122 HydrophobicContact CG-CZ 4.27Å; L613-I1126 HydrophobicContact CD2-CD1 3.8Å
614L66.9Low67.6Low89 Ų8952.9 Ų52.947%0.46628%0.278SS..Hα-helixtrans-71.2-35.5176.7-71.4171.2000112.9V610 S612 M617V610-L614 HydrophobicContact CG1-CD1 4.08Å; V610-L614 HydrophobicContact CG1-CG 4.45Å; V610-L614 WeakPolarHBondContact O-CB 3.26Å; V610-L614 VanDerWaalsContact O-CG 3.31Å; V610-L614 WeakPolarHBondContact O-CG 3.26Å; V610-L614 PolarHBondContact O-N 2.65Å; S612-L614 VanDerWaalsContact C-N 3.3Å; S612-L614 PolarHBondContact O-N 3.31Å; L614-M617 HydrophobicContact CD2-SD 4.29Å; L614-M617 VanDerWaalsContact O-CB 3.29Å; L614-M617 WeakPolarHBondContact O-CB 3.28Å; L614-M617 PolarHBondContact O-N 3.43Å
615N67.4Low68.4Low85 Ų8554.5 Ų54.546%0.45527%0.274SS..Hα-helixtrans-65.8-41.8169.6-73.8-30000111.1L611 S612 M617L611-N615 WeakPolarHBondContact O-CB 3.44Å; L611-N615 PolarHBondContact O-N 3Å; L611-N615 PolarHBondContact O-ND2 2.88Å; S612-N615 PolarHBondContact O-N 3.5Å; N615-M617 VanDerWaalsContact C-N 3.27Å; N615-M617 PolarHBondContact O-N 2.69Å
616A67.5Low69.2Low1 Ų152.5 Ų52.51%0.00826%0.258CS..Hα-helixtrans-64.1-30.9174.800000112S612 L613 R618 S619 I620 N723S612-A616 VanDerWaalsContact O-CB 3.29Å; S612-A616 WeakPolarHBondContact O-CB 3.49Å; S612-A616 PolarHBondContact O-N 3.3Å; L613-A616 CarbonylContact O-C 3.55Å; L613-A616 WeakPolarHBondContact O-CB 3.39Å; L613-A616 PolarHBondContact O-N 3.28Å; A616-R618 PolarHBondContact O-N 3.41Å; A616-R618 VanDerWaalsContact O-N 3.08Å; A616-S619 CarbonylContact O-C 3.55Å; A616-S619 WeakPolarHBondContact O-CA 3.5Å; A616-S619 VanDerWaalsContact O-CB 3.28Å; A616-S619 WeakPolarHBondContact O-CB 3.34Å; A616-S619 PolarHBondContact O-N 3.5Å; A616-I620 HydrophobicContact CB-CD1 3.91Å; A616-I620 HydrophobicContact CB-CG1 4.41Å; A616-I620 WeakPolarHBondContact O-CG1 3.33Å; A616-I620 PolarHBondContact O-N 3.04Å; A616-N723 HydrophobicContact CB-CB 4.04Å
617M69.6Low69.9Low96 Ų9651.7 Ų51.747%0.47325%0.254SS..Hα-helixtrans-52.2-35.8-176.5-165.1-176.6-170.100113.2L613 L614 N615 S619 I620 L621L613-M617 PolarHBondContact O-N 3.3Å; L614-M617 HydrophobicContact CD2-SD 4.29Å; L614-M617 VanDerWaalsContact O-CB 3.29Å; L614-M617 WeakPolarHBondContact O-CB 3.28Å; L614-M617 PolarHBondContact O-N 3.43Å; N615-M617 VanDerWaalsContact C-N 3.27Å; N615-M617 PolarHBondContact O-N 2.69Å; M617-S619 VanDerWaalsContact C-N 3.35Å; M617-S619 PolarHBondContact O-N 2.89Å; M617-I620 PolarHBondContact O-N 2.89Å; M617-L621 HydrophobicContact CE-CD1 4.49Å; M617-L621 HydrophobicContact CG-CD1 4.12Å; M617-L621 HydrophobicContact CG-CG 4.36Å; M617-L621 WeakPolarHBondContact O-CB 3.29Å; M617-L621 VanDerWaalsContact O-CG 3.23Å; M617-L621 WeakPolarHBondContact O-CG 3.11Å; M617-L621 PolarHBondContact O-N 2.89Å
618R66.8Low70.7Confident220 Ų22052.5 Ų52.583%0.8326%0.26SS*.Hα-helixtrans-65.5-37.8174.4-174.7178.1178.3-169.1-0.6112.5A616 S622A616-R618 PolarHBondContact O-N 3.41Å; A616-R618 VanDerWaalsContact O-N 3.08Å; R618-S622 PolarHBondContact O-N 3.12Å
619S68.1Low71.4Confident46 Ų4651.9 Ų51.932%0.32226%0.256SS..Hα-helixtrans-72.1-44175.4-156.80000111A616 M617 S622 L623 I719A616-S619 CarbonylContact O-C 3.55Å; A616-S619 WeakPolarHBondContact O-CA 3.5Å; A616-S619 VanDerWaalsContact O-CB 3.28Å; A616-S619 WeakPolarHBondContact O-CB 3.34Å; A616-S619 PolarHBondContact O-N 3.5Å; M617-S619 VanDerWaalsContact C-N 3.35Å; M617-S619 PolarHBondContact O-N 2.89Å; S619-S622 PolarHBondContact O-N 3.2Å; S619-S622 VanDerWaalsContact O-N 3.13Å; S619-S622 PolarHBondContact O-OG 2.94Å; S619-L623 PolarHBondContact O-N 3.04Å; S619-I719 WeakPolarHBondContact OG-CD1 3.44Å
620I72.3Confident72.3Confident19 Ų1953.4 Ų53.410%0.09726%0.262CS..Hα-helixtrans-59.3-49.2177-62.3164.3000110A616 M617 S622 L623 L624 I719 F1122A616-I620 HydrophobicContact CB-CD1 3.91Å; A616-I620 HydrophobicContact CB-CG1 4.41Å; A616-I620 WeakPolarHBondContact O-CG1 3.33Å; A616-I620 PolarHBondContact O-N 3.04Å; M617-I620 PolarHBondContact O-N 2.89Å; I620-S622 VanDerWaalsContact C-N 3.26Å; I620-S622 PolarHBondContact O-N 3.33Å; I620-L623 CarbonylContact O-C 3.48Å; I620-L623 WeakPolarHBondContact O-CA 3.36Å; I620-L623 WeakPolarHBondContact O-CB 3.27Å; I620-L623 PolarHBondContact O-N 3.08Å; I620-L624 HydrophobicContact CG2-CD1 3.83Å; I620-L624 HydrophobicContact CG2-CG 4.06Å; I620-L624 WeakPolarHBondContact O-CB 3.5Å; I620-L624 WeakPolarHBondContact O-CG 3.48Å; I620-L624 PolarHBondContact O-N 3.31Å; I620-I719 HydrophobicContact CG1-CG2 4.07Å; I620-F1122 HydrophobicContact CD1-CD2 3.97Å; I620-F1122 HydrophobicContact CD1-CE1 4.43Å; I620-F1122 HydrophobicContact CD1-CE2 3.36Å; I620-F1122 HydrophobicContact CD1-CZ 3.6Å; I620-F1122 HydrophobicContact CG1-CE2 4.34Å
621L73.2Confident73.3Confident99 Ų9953.2 Ų53.252%0.51826%0.26SS..Hα-helixtrans-59-35176.1-73.3168.4000112.8M617 F625M617-L621 HydrophobicContact CE-CD1 4.49Å; M617-L621 HydrophobicContact CG-CD1 4.12Å; M617-L621 HydrophobicContact CG-CG 4.36Å; M617-L621 WeakPolarHBondContact O-CB 3.29Å; M617-L621 VanDerWaalsContact O-CG 3.23Å; M617-L621 WeakPolarHBondContact O-CG 3.11Å; M617-L621 PolarHBondContact O-N 2.89Å; L621-F625 WeakPolarHBondContact O-CB 3.43Å; L621-F625 PolarHBondContact O-N 3.43Å
622S69.9Low74.3Confident26 Ų2650.8 Ų50.818%0.18225%0.247CC..Hα-helixtrans-73.1-30.2174.7700000113.7R618 S619 I620 L626R618-S622 PolarHBondContact O-N 3.12Å; S619-S622 PolarHBondContact O-N 3.2Å; S619-S622 VanDerWaalsContact O-N 3.13Å; S619-S622 PolarHBondContact O-OG 2.94Å; I620-S622 VanDerWaalsContact C-N 3.26Å; I620-S622 PolarHBondContact O-N 3.33Å; S622-L626 PolarHBondContact O-N 3.25Å
623L73.1Confident75.4Confident6 Ų651.1 Ų51.13%0.03125%0.248CC..Hα-helixtrans-71.1-49170.3-173.7170.8000110.2S619 I620 F625 L626 L627 V715 F716 I719S619-L623 PolarHBondContact O-N 3.04Å; I620-L623 CarbonylContact O-C 3.48Å; I620-L623 WeakPolarHBondContact O-CA 3.36Å; I620-L623 WeakPolarHBondContact O-CB 3.27Å; I620-L623 PolarHBondContact O-N 3.08Å; L623-F625 PolarHBondContact O-N 2.86Å; L623-L626 CarbonylContact O-C 3.45Å; L623-L626 WeakPolarHBondContact O-CA 3.43Å; L623-L626 WeakPolarHBondContact O-CB 3.37Å; L623-L626 PolarHBondContact O-N 3.43Å; L623-L627 HydrophobicContact CD2-CB 4.23Å; L623-L627 PolarHBondContact O-N 3.42Å; L623-V715 HydrophobicContact CD1-CB 4.06Å; L623-V715 HydrophobicContact CD1-CG1 3.65Å; L623-V715 HydrophobicContact CG-CG1 4.25Å; L623-F716 HydrophobicContact CD1-CD1 3.92Å; L623-F716 HydrophobicContact CD1-CD2 4.25Å; L623-F716 HydrophobicContact CD1-CE1 4.1Å; L623-F716 HydrophobicContact CD1-CE2 4.42Å; L623-F716 HydrophobicContact CD1-CG 4Å; L623-F716 HydrophobicContact CD1-CZ 4.35Å; L623-F716 HydrophobicContact CD2-CD1 4.5Å; L623-F716 HydrophobicContact CD2-CD2 4.19Å; L623-F716 HydrophobicContact CD2-CE1 3.96Å; L623-F716 HydrophobicContact CD2-CE2 3.61Å; L623-F716 HydrophobicContact CD2-CZ 3.48Å; L623-F716 VanDerWaalsContact CD2-CZ 3.48Å; L623-I719 HydrophobicContact CB-CD1 4.14Å; L623-I719 HydrophobicContact CD1-CD1 3.66Å
624L77Confident76.6Confident35 Ų3551.2 Ų51.218%0.18325%0.247CC..Hα-helixtrans-58.4-34.6179.1-68.5178.1000112.2I620 L627 F628 F716 I1117I620-L624 HydrophobicContact CG2-CD1 3.83Å; I620-L624 HydrophobicContact CG2-CG 4.06Å; I620-L624 WeakPolarHBondContact O-CB 3.5Å; I620-L624 WeakPolarHBondContact O-CG 3.48Å; I620-L624 PolarHBondContact O-N 3.31Å; L624-L627 HydrophobicContact CD2-CD2 4.21Å; L624-F628 VanDerWaalsContact O-CB 3.22Å; L624-F628 WeakPolarHBondContact O-CB 3.47Å; L624-F628 PolarHBondContact O-N 2.91Å; L624-F716 HydrophobicContact CD2-CE1 4.41Å; L624-F716 HydrophobicContact CD2-CZ 3.92Å; L624-I1117 HydrophobicContact CD1-CD1 4.34Å; L624-I1117 HydrophobicContact CD1-CG2 3.81Å; L624-I1117 HydrophobicContact CD2-CB 4.46Å; L624-I1117 HydrophobicContact CD2-CD1 3.72Å; L624-I1117 HydrophobicContact CD2-CG1 3.75Å; L624-I1117 HydrophobicContact CD2-CG2 3.88Å; L624-I1117 HydrophobicContact CG-CG2 4.46Å
625F78.6Confident77.8Confident88 Ų8847 Ų4739%0.38623%0.225SC..Hα-helixtrans-67-38.7170.8-171.9-87.7000112.8L204 L211 L621 L623 L629L204-F625 HydrophobicContact CD1-CZ 4.35Å; L211-F625 HydrophobicContact CD1-CD1 3.49Å; L211-F625 VanDerWaalsContact CD1-CD1 3.49Å; L211-F625 HydrophobicContact CD1-CE1 3.49Å; L211-F625 VanDerWaalsContact CD1-CE1 3.49Å; L211-F625 HydrophobicContact CD2-CD1 4.07Å; L211-F625 HydrophobicContact CG-CD1 4.42Å; L621-F625 WeakPolarHBondContact O-CB 3.43Å; L621-F625 PolarHBondContact O-N 3.43Å; L623-F625 PolarHBondContact O-N 2.86Å; F625-L629 HydrophobicContact CE1-CD1 4.16Å; F625-L629 VanDerWaalsContact O-CB 3.29Å; F625-L629 WeakPolarHBondContact O-CB 3.41Å; F625-L629 PolarHBondContact O-N 2.93Å
626L77.1Confident78.8Confident29 Ų2943.2 Ų43.215%0.15221%0.205CC..Hα-helixtrans-68.2-43.4175.3-171.6157.2000111.6V214 I218 S622 L623 L629 F630V214-L626 HydrophobicContact CB-CD1 4.45Å; V214-L626 HydrophobicContact CG1-CD1 3.76Å; I218-L626 HydrophobicContact CD1-CD1 3.87Å; I218-L626 HydrophobicContact CD1-CD2 4.28Å; S622-L626 PolarHBondContact O-N 3.25Å; L623-L626 CarbonylContact O-C 3.45Å; L623-L626 WeakPolarHBondContact O-CA 3.43Å; L623-L626 WeakPolarHBondContact O-CB 3.37Å; L623-L626 PolarHBondContact O-N 3.43Å; L626-L629 PolarHBondContact O-N 3.26Å; L626-F630 WeakPolarHBondContact O-CB 3.09Å; L626-F630 PolarHBondContact O-N 3.35Å
627L79.2Confident79.8Confident4 Ų445.2 Ų45.22%0.02122%0.215CC..Hα-helixtrans-58.5-50172.1168.857.7000110.6L623 L624 L629 F630 M631 L671 L712 F716 F1121L623-L627 HydrophobicContact CD2-CB 4.23Å; L623-L627 PolarHBondContact O-N 3.42Å; L624-L627 HydrophobicContact CD2-CD2 4.21Å; L627-L629 VanDerWaalsContact C-N 3.32Å; L627-L629 PolarHBondContact O-N 3.05Å; L627-F630 PolarHBondContact O-N 2.83Å; L627-M631 HydrophobicContact CD1-CE 4.4Å; L627-M631 HydrophobicContact CD1-CG 3.88Å; L627-M631 HydrophobicContact CD1-SD 3.97Å; L627-M631 HydrophobicContact CG-CE 4.08Å; L627-M631 HydrophobicContact CG-CG 4.5Å; L627-M631 HydrophobicContact CG-SD 4.27Å; L627-M631 WeakPolarHBondContact O-CB 3.49Å; L627-M631 VanDerWaalsContact O-CG 3.29Å; L627-M631 WeakPolarHBondContact O-CG 3.43Å; L627-M631 PolarHBondContact O-N 3.17Å; L627-L671 HydrophobicContact CD1-CD1 4.31Å; L627-L712 HydrophobicContact CD1-CD1 3.56Å; L627-L712 HydrophobicContact CD1-CD2 3.76Å; L627-L712 HydrophobicContact CD1-CG 4.3Å; L627-F716 HydrophobicContact CD2-CE2 4.35Å; L627-F716 HydrophobicContact CD2-CZ 4.43Å; L627-F1121 HydrophobicContact CD2-CE2 4.19Å
628F84.2Confident80.8Confident88 Ų8840.6 Ų40.639%0.38619%0.193SC..Hα-helixtrans-59.3-40.9175.7178.4-101.7000112.5L624 M631 L632 L664L624-F628 VanDerWaalsContact O-CB 3.22Å; L624-F628 WeakPolarHBondContact O-CB 3.47Å; L624-F628 PolarHBondContact O-N 2.91Å; F628-M631 HydrophobicContact CB-CE 4.49Å; F628-M631 HydrophobicContact CD2-CE 4.4Å; F628-L632 HydrophobicContact CE1-CD1 3.87Å; F628-L632 HydrophobicContact CZ-CD1 4.04Å; F628-L632 WeakPolarHBondContact O-CB 3.33Å; F628-L632 PolarHBondContact O-N 3.07Å; F628-L664 HydrophobicContact CE2-CD2 4.18Å
629L82.3Confident81.9Confident9 Ų930.3 Ų30.35%0.04715%0.154CC..Hα-helixtrans-64.4-42.6175.4-171159000111.6L202 L204 V205 F625 L626 L627 L632 I633L202-L629 HydrophobicContact CD1-CD2 3.92Å; L204-L629 HydrophobicContact CB-CD1 3.82Å; L204-L629 HydrophobicContact CD1-CD1 4.21Å; V205-L629 HydrophobicContact CG2-CD1 3.82Å; V205-L629 HydrophobicContact CG2-CD2 4.4Å; F625-L629 HydrophobicContact CE1-CD1 4.16Å; F625-L629 VanDerWaalsContact O-CB 3.29Å; F625-L629 WeakPolarHBondContact O-CB 3.41Å; F625-L629 PolarHBondContact O-N 2.93Å; L626-L629 PolarHBondContact O-N 3.26Å; L627-L629 VanDerWaalsContact C-N 3.32Å; L627-L629 PolarHBondContact O-N 3.05Å; L629-L632 PolarHBondContact O-N 3.33Å; L629-I633 HydrophobicContact CD2-CD1 3.59Å; L629-I633 HydrophobicContact CD2-CG1 4.3Å; L629-I633 WeakPolarHBondContact O-CG1 3.39Å; L629-I633 PolarHBondContact O-N 3.22Å
630F83.1Confident82.8Confident52 Ų5229.2 Ų29.223%0.22814%0.143CC..Hα-helixtrans-63.4-48.8176.2-174-90.9000111.4L626 L627 L632 I633 F634 L671 L704 F707L626-F630 WeakPolarHBondContact O-CB 3.09Å; L626-F630 PolarHBondContact O-N 3.35Å; L627-F630 PolarHBondContact O-N 2.83Å; F630-L632 VanDerWaalsContact C-N 3.32Å; F630-L632 PolarHBondContact O-N 3.34Å; F630-I633 PolarHBondContact O-N 3.18Å; F630-F634 HydrophobicContact CD1-CD2 4.09Å; F630-F634 HydrophobicContact CD1-CE2 4.45Å; F630-F634 HydrophobicContact CD2-CD2 4.46Å; F630-F634 HydrophobicContact CD2-CE2 4.28Å; F630-F634 AromaticContact CE1-CD2 3.74Å; F630-F634 HydrophobicContact CE1-CD2 3.74Å; F630-F634 AromaticContact CE1-CE2 3.79Å; F630-F634 HydrophobicContact CE1-CE2 3.79Å; F630-F634 HydrophobicContact CE2-CD2 4.15Å; F630-F634 AromaticContact CE2-CE2 3.61Å; F630-F634 HydrophobicContact CE2-CE2 3.61Å; F630-F634 HydrophobicContact CG-CD2 4.44Å; F630-F634 AromaticContact CZ-CD2 3.78Å; F630-F634 HydrophobicContact CZ-CD2 3.78Å; F630-F634 AromaticContact CZ-CE2 3.32Å; F630-F634 HydrophobicContact CZ-CE2 3.32Å; F630-F634 HydrophobicContact CZ-CZ 4.06Å; F630-F634 PolarHBondContact O-N 2.97Å; F630-L671 HydrophobicContact CD1-CD1 4.42Å; F630-L671 HydrophobicContact CE1-CD2 4.14Å; F630-L704 HydrophobicContact CE1-CD1 3.84Å; F630-F707 HydrophobicContact CZ-CB 4.02Å
631M87.6Confident83.5Confident15 Ų1530.3 Ų30.37%0.07415%0.149CC..Hα-helixtrans-58-42.3173.9-69.9-169.5-54.100112.1L627 F628 F634 A635 L664 V667 F668 L671L627-M631 HydrophobicContact CD1-CE 4.4Å; L627-M631 HydrophobicContact CD1-CG 3.88Å; L627-M631 HydrophobicContact CD1-SD 3.97Å; L627-M631 HydrophobicContact CG-CE 4.08Å; L627-M631 HydrophobicContact CG-CG 4.5Å; L627-M631 HydrophobicContact CG-SD 4.27Å; L627-M631 WeakPolarHBondContact O-CB 3.49Å; L627-M631 VanDerWaalsContact O-CG 3.29Å; L627-M631 WeakPolarHBondContact O-CG 3.43Å; L627-M631 PolarHBondContact O-N 3.17Å; F628-M631 HydrophobicContact CB-CE 4.49Å; F628-M631 HydrophobicContact CD2-CE 4.4Å; M631-F634 PolarHBondContact O-N 3.2Å; M631-A635 WeakPolarHBondContact O-CB 3.29Å; M631-A635 PolarHBondContact O-N 3.45Å; M631-L664 HydrophobicContact CB-CD1 3.76Å; M631-V667 HydrophobicContact CB-CG1 4.24Å; M631-V667 HydrophobicContact CG-CG1 4.28Å; M631-F668 HydrophobicContact SD-CB 4.05Å; M631-F668 HydrophobicContact SD-CD2 3.68Å; M631-F668 HydrophobicContact SD-CG 4.34Å; M631-L671 HydrophobicContact CG-CD1 3.43Å; M631-L671 VanDerWaalsContact CG-CD1 3.43Å; M631-L671 HydrophobicContact SD-CD1 4.08Å
632L87.5Confident84.3Confident19 Ų1925.6 Ų25.610%0.09913%0.125CC..Hα-helixtrans-64.3-40.3178.1-178.5155000111.7P201 F628 L629 F630 L636 F660P201-L632 HydrophobicContact CB-CD2 3.76Å; P201-L632 HydrophobicContact CG-CD2 3.4Å; P201-L632 VanDerWaalsContact CG-CD2 3.4Å; F628-L632 HydrophobicContact CE1-CD1 3.87Å; F628-L632 HydrophobicContact CZ-CD1 4.04Å; F628-L632 WeakPolarHBondContact O-CB 3.33Å; F628-L632 PolarHBondContact O-N 3.07Å; L629-L632 PolarHBondContact O-N 3.33Å; F630-L632 VanDerWaalsContact C-N 3.32Å; F630-L632 PolarHBondContact O-N 3.34Å; L632-L636 HydrophobicContact CD2-CD1 3.69Å; L632-L636 HydrophobicContact CD2-CG 4.44Å; L632-L636 HydrophobicContact CG-CD1 4.36Å; L632-L636 WeakPolarHBondContact O-CB 3.47Å; L632-L636 VanDerWaalsContact O-CG 3.26Å; L632-L636 WeakPolarHBondContact O-CG 3.36Å; L632-L636 PolarHBondContact O-N 3.38Å; L632-F660 HydrophobicContact CD1-CZ 4.22Å; L632-F660 HydrophobicContact CG-CE2 4.13Å; L632-F660 HydrophobicContact CG-CZ 4.23Å
633I87.4Confident85.2Confident19 Ų1924.7 Ų24.710%0.09712%0.12CC..Hα-helixtrans-63.9-47.7174.8-70.3176.9000110.6V198 L199 P201 L202 L629 F630 L637V198-I633 HydrophobicContact CG2-CG2 4.42Å; L199-I633 HydrophobicContact CD2-CG2 4.49Å; P201-I633 HydrophobicContact CB-CG1 4.2Å; P201-I633 HydrophobicContact CG-CG1 4.13Å; L202-I633 HydrophobicContact CB-CD1 4.21Å; L202-I633 HydrophobicContact CD1-CD1 3.74Å; L629-I633 HydrophobicContact CD2-CD1 3.59Å; L629-I633 HydrophobicContact CD2-CG1 4.3Å; L629-I633 WeakPolarHBondContact O-CG1 3.39Å; L629-I633 PolarHBondContact O-N 3.22Å; F630-I633 PolarHBondContact O-N 3.18Å; I633-L637 WeakPolarHBondContact O-CB 3.35Å; I633-L637 PolarHBondContact O-N 3.27Å
634F89.8Confident85.8Confident30 Ų3024.4 Ų24.413%0.13212%0.118CC..Hα-helixtrans-69.9-36.7179.9-87.2-93.5000112.8F630 M631 L637 G638 V667 Y700 L704F630-F634 HydrophobicContact CD1-CD2 4.09Å; F630-F634 HydrophobicContact CD1-CE2 4.45Å; F630-F634 HydrophobicContact CD2-CD2 4.46Å; F630-F634 HydrophobicContact CD2-CE2 4.28Å; F630-F634 AromaticContact CE1-CD2 3.74Å; F630-F634 HydrophobicContact CE1-CD2 3.74Å; F630-F634 AromaticContact CE1-CE2 3.79Å; F630-F634 HydrophobicContact CE1-CE2 3.79Å; F630-F634 HydrophobicContact CE2-CD2 4.15Å; F630-F634 AromaticContact CE2-CE2 3.61Å; F630-F634 HydrophobicContact CE2-CE2 3.61Å; F630-F634 HydrophobicContact CG-CD2 4.44Å; F630-F634 AromaticContact CZ-CD2 3.78Å; F630-F634 HydrophobicContact CZ-CD2 3.78Å; F630-F634 AromaticContact CZ-CE2 3.32Å; F630-F634 HydrophobicContact CZ-CE2 3.32Å; F630-F634 HydrophobicContact CZ-CZ 4.06Å; F630-F634 PolarHBondContact O-N 2.97Å; M631-F634 PolarHBondContact O-N 3.2Å; F634-L637 PolarHBondContact O-N 3.24Å; F634-G638 PolarHBondContact O-N 3.14Å; F634-V667 HydrophobicContact CB-CG1 3.91Å; F634-V667 HydrophobicContact CB-CG2 4.22Å; F634-Y700 HydrophobicContact CD1-CD2 4.31Å; F634-Y700 AromaticContact CD1-CE2 3.73Å; F634-Y700 HydrophobicContact CD1-CE2 3.73Å; F634-Y700 HydrophobicContact CE1-CE2 4.4Å; F634-Y700 PolarHBondContact O-OH 3.05Å; F634-L704 HydrophobicContact CB-CD1 4.17Å; F634-L704 HydrophobicContact CD1-CB 4.15Å; F634-L704 HydrophobicContact CD1-CD1 3.72Å; F634-L704 HydrophobicContact CD1-CD2 4.13Å; F634-L704 HydrophobicContact CD1-CG 4.22Å; F634-L704 HydrophobicContact CD2-CD1 4.24Å; F634-L704 HydrophobicContact CE1-CB 4.09Å; F634-L704 HydrophobicContact CE1-CD1 4.12Å; F634-L704 HydrophobicContact CG-CD1 3.77Å
635A91.6Very high86.4Confident0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-64.9-46.8176.200000111.3M631 L637 G638 M639 F660 A663 L664 V667M631-A635 WeakPolarHBondContact O-CB 3.29Å; M631-A635 PolarHBondContact O-N 3.45Å; A635-L637 VanDerWaalsContact C-N 3.31Å; A635-L637 PolarHBondContact O-N 3.08Å; A635-G638 PolarHBondContact O-N 3.38Å; A635-M639 VanDerWaalsContact O-CG 3.28Å; A635-M639 WeakPolarHBondContact O-CG 3.38Å; A635-M639 PolarHBondContact O-N 3.36Å; A635-F660 HydrophobicContact CB-CE2 4.49Å; A635-A663 HydrophobicContact CB-CB 4.1Å; A635-L664 HydrophobicContact CB-CB 4.4Å; A635-L664 HydrophobicContact CB-CD1 4.34Å; A635-V667 HydrophobicContact CB-CG2 4.22Å
636L88.9Confident86.9Confident6 Ų621 Ų213%0.03110%0.103CC..Hα-helixtrans-64.1-35.2174.2-68.9179.2000112L111 V198 L632 M639 Q640 F660L111-L636 HydrophobicContact CB-CD1 4.1Å; L111-L636 HydrophobicContact CB-CD2 3.98Å; L111-L636 HydrophobicContact CD1-CD1 4.26Å; V198-L636 HydrophobicContact CB-CB 3.99Å; V198-L636 HydrophobicContact CG1-CB 3.79Å; L632-L636 HydrophobicContact CD2-CD1 3.69Å; L632-L636 HydrophobicContact CD2-CG 4.44Å; L632-L636 HydrophobicContact CG-CD1 4.36Å; L632-L636 WeakPolarHBondContact O-CB 3.47Å; L632-L636 VanDerWaalsContact O-CG 3.26Å; L632-L636 WeakPolarHBondContact O-CG 3.36Å; L632-L636 PolarHBondContact O-N 3.38Å; L636-M639 HydrophobicContact CD2-SD 3.92Å; L636-Q640 VanDerWaalsContact O-CG 3.3Å; L636-Q640 WeakPolarHBondContact O-CG 3.36Å; L636-Q640 PolarHBondContact O-N 3.48Å; L636-F660 HydrophobicContact CD2-CD2 3.94Å; L636-F660 HydrophobicContact CD2-CE2 4.29Å; L636-F660 HydrophobicContact CG-CE2 4.42Å
637L88.6Confident87.5Confident43 Ų4323 Ų2323%0.22511%0.114CC..Hα-helixtrans-65.2-46.4173.2-178.458.8000111.3A195 V198 I633 F634 A635 M639 Q640 L641 Y700A195-L637 HydrophobicContact CB-CD1 4.13Å; V198-L637 HydrophobicContact CG2-CB 4.09Å; V198-L637 HydrophobicContact CG2-CD1 4.41Å; I633-L637 WeakPolarHBondContact O-CB 3.35Å; I633-L637 PolarHBondContact O-N 3.27Å; F634-L637 PolarHBondContact O-N 3.24Å; A635-L637 VanDerWaalsContact C-N 3.31Å; A635-L637 PolarHBondContact O-N 3.08Å; L637-M639 VanDerWaalsContact C-N 3.35Å; L637-M639 PolarHBondContact O-N 3.41Å; L637-Q640 PolarHBondContact O-N 3.25Å; L637-Q640 VanDerWaalsContact O-N 3.12Å; L637-L641 HydrophobicContact CD1-CD1 4.12Å; L637-L641 HydrophobicContact CD1-CG 4.27Å; L637-L641 HydrophobicContact CG-CD1 3.94Å; L637-L641 HydrophobicContact CG-CG 4.48Å; L637-L641 WeakPolarHBondContact O-CG 3.37Å; L637-L641 PolarHBondContact O-N 2.87Å; L637-Y700 HydrophobicContact CB-CE2 4.34Å; L637-Y700 HydrophobicContact CD2-CD2 4.04Å; L637-Y700 HydrophobicContact CD2-CE2 4.05Å; L637-Y700 HydrophobicContact CG-CD2 4.27Å; L637-Y700 HydrophobicContact CG-CE2 4.06Å
638G90.5Very high87.9Confident0 Ų024.3 Ų24.30%012%0.119CC..Hα-helixtrans-59.4-41.517600000112.6F634 A635 Q640 L641 F642F634-G638 PolarHBondContact O-N 3.14Å; A635-G638 PolarHBondContact O-N 3.38Å; G638-Q640 VanDerWaalsContact C-N 3.32Å; G638-Q640 PolarHBondContact O-N 3.01Å; G638-L641 PolarHBondContact O-N 3.08Å; G638-F642 PolarHBondContact O-N 3.3Å
639M89.6Confident87.9Confident3 Ų328 Ų282%0.01514%0.143CC..Hα-helixtrans-58.1-41.3172.4-68.9169.971.100112.4E114 A635 L636 L637 L641 G643 F657 F660 A663E114-M639 WeakPolarHBondContact O-CE 3.18Å; A635-M639 VanDerWaalsContact O-CG 3.28Å; A635-M639 WeakPolarHBondContact O-CG 3.38Å; A635-M639 PolarHBondContact O-N 3.36Å; L636-M639 HydrophobicContact CD2-SD 3.92Å; L637-M639 VanDerWaalsContact C-N 3.35Å; L637-M639 PolarHBondContact O-N 3.41Å; M639-L641 VanDerWaalsContact C-N 3.35Å; M639-G643 VanDerWaalsContact O-CA 3.32Å; M639-G643 WeakPolarHBondContact O-CA 3.42Å; M639-G643 PolarHBondContact O-N 3.03Å; M639-F657 WeakPolarHBondContact CA-O 3.48Å; M639-F657 VanDerWaalsContact CG-O 3.28Å; M639-F657 WeakPolarHBondContact CG-O 3.31Å; M639-F660 HydrophobicContact CE-CB 4.25Å; M639-F660 HydrophobicContact SD-CB 4.01Å; M639-F660 HydrophobicContact SD-CD2 4.15Å; M639-A663 HydrophobicContact CG-CB 3.61Å; M639-A663 HydrophobicContact SD-CB 4.11Å
640Q86.5Confident87.6Confident23 Ų2333.5 Ų33.511%0.10717%0.172CC..Hα-helixtrans-77.4-17.1-179.9-63.2-73.7-49.700113.8E114 H116 V198 L636 L637 G638E114-Q640 PolarHBondContact OE2-NE2 3.41Å; H116-Q640 PolarHBondContact NE2-NE2 3.49Å; V198-Q640 HydrophobicContact CG1-CG 4.21Å; L636-Q640 VanDerWaalsContact O-CG 3.3Å; L636-Q640 WeakPolarHBondContact O-CG 3.36Å; L636-Q640 PolarHBondContact O-N 3.48Å; L637-Q640 PolarHBondContact O-N 3.25Å; L637-Q640 VanDerWaalsContact O-N 3.12Å; G638-Q640 VanDerWaalsContact C-N 3.32Å; G638-Q640 PolarHBondContact O-N 3.01Å
641L87.2Confident87.5Confident42 Ų4232.9 Ų32.922%0.2218%0.181CC..Hα-helixtrans-94.5-47.6177.3-67.3173.7000112.4L637 G638 M639 Q687 Y697 Y700L637-L641 HydrophobicContact CD1-CD1 4.12Å; L637-L641 HydrophobicContact CD1-CG 4.27Å; L637-L641 HydrophobicContact CG-CD1 3.94Å; L637-L641 HydrophobicContact CG-CG 4.48Å; L637-L641 WeakPolarHBondContact O-CG 3.37Å; L637-L641 PolarHBondContact O-N 2.87Å; G638-L641 PolarHBondContact O-N 3.08Å; M639-L641 VanDerWaalsContact C-N 3.35Å; L641-Q687 PolarHBondContact O-NE2 3.46Å; L641-Y697 HydrophobicContact CD2-CD1 4.46Å; L641-Y697 HydrophobicContact CD2-CE1 4.12Å; L641-Y700 HydrophobicContact CD1-CD2 3.81Å; L641-Y700 HydrophobicContact CD1-CE2 4.36Å; L641-Y700 HydrophobicContact CD1-CG 4.29Å
642F91Very high87.4Confident0 Ų036.8 Ų36.80%020%0.197CC..Hα-helixtrans-120.1-11.5-166.3-53.1-64.6000114.3G638 G644 E645 F646 F657 Q687 Y697 Y700 F701G638-F642 PolarHBondContact O-N 3.3Å; F642-G644 PolarHBondContact O-N 3.43Å; F642-E645 PolarHBondContact O-N 2.69Å; F642-F646 HydrophobicContact CB-CD1 4.05Å; F642-F646 HydrophobicContact CB-CE1 3.66Å; F642-F646 HydrophobicContact CB-CZ 4.39Å; F642-F646 HydrophobicContact CD1-CE1 4.05Å; F642-F646 HydrophobicContact CG-CE1 4Å; F642-F657 HydrophobicContact CB-CB 4.03Å; F642-F657 HydrophobicContact CB-CD2 3.81Å; F642-F657 HydrophobicContact CB-CG 4.12Å; F642-F657 AromaticContact CD2-CD2 4Å; F642-F657 HydrophobicContact CD2-CD2 4Å; F642-F657 HydrophobicContact CD2-CE2 4.09Å; F642-F657 HydrophobicContact CD2-CG 4.38Å; F642-F657 HydrophobicContact CG-CD2 4.26Å; F642-Q687 HydrophobicContact CD1-CG 4.25Å; F642-Q687 HydrophobicContact CE1-CG 4.06Å; F642-Y697 HydrophobicContact CE1-CD1 4.18Å; F642-Y697 HydrophobicContact CE1-CG 4.36Å; F642-Y697 HydrophobicContact CZ-CD1 4.37Å; F642-Y700 AromaticContact CE2-CD1 3.74Å; F642-Y700 HydrophobicContact CE2-CD1 3.74Å; F642-Y700 HydrophobicContact CE2-CE1 4.01Å; F642-Y700 HydrophobicContact CE2-CG 4.1Å; F642-Y700 HydrophobicContact CZ-CD1 4.35Å; F642-F701 HydrophobicContact CD2-CZ 4.48Å; F642-F701 HydrophobicContact CE1-CE2 4.36Å; F642-F701 HydrophobicContact CE2-CE2 4.03Å; F642-F701 AromaticContact CE2-CZ 3.75Å; F642-F701 HydrophobicContact CE2-CZ 3.75Å; F642-F701 AromaticContact CZ-CE2 3.61Å; F642-F701 HydrophobicContact CZ-CE2 3.61Å; F642-F701 AromaticContact CZ-CZ 3.77Å; F642-F701 HydrophobicContact CZ-CZ 3.77Å
643G88.1Confident87.4Confident8 Ų837.2 Ų37.28%0.08220%0.201CC..THydrogen-bonded Turntrans-63.2125-175.300000112.5H116 M639 E645 F657H116-G643 VanDerWaalsContact CB-C 3.48Å; H116-G643 WeakPolarHBondContact CB-O 3.48Å; M639-G643 VanDerWaalsContact O-CA 3.32Å; M639-G643 WeakPolarHBondContact O-CA 3.42Å; M639-G643 PolarHBondContact O-N 3.03Å; G643-E645 VanDerWaalsContact C-N 3.29Å; G643-F657 WeakPolarHBondContact CA-O 3.06Å
644G86.1Confident87.2Confident0 Ų037.9 Ų37.90%021%0.213CC..THydrogen-bonded Turntrans86.5-15.5-174.700000114.6P118 F642 N647 D658P118-G644 WeakPolarHBondContact CA-O 3.41Å; P118-G644 WeakPolarHBondContact CB-O 3.17Å; F642-G644 PolarHBondContact O-N 3.43Å; G644-N647 PolarHBondContact O-ND2 2.65Å; G644-D658 WeakPolarHBondContact CA-OD1 3.42Å; G644-D658 PolarHBondContact N-OD1 2.84Å
645E89Confident87.3Confident51 Ų5138.7 Ų38.724%0.23822%0.217CC..THydrogen-bonded Turntrans-92.7-9.4-175.7-46.8-70.1-151.200112.9R191 F642 G643 N647R191-E645 IonicContact CZ-OE1 2.82Å; R191-E645 IonicContact NH1-OE1 3.74Å; R191-E645 PolarHBondContact NH1-OE1 3.08Å; R191-E645 IonicContact NH2-OE1 2.76Å; R191-E645 PolarHBondContact NH2-OE1 3.28Å; F642-E645 PolarHBondContact O-N 2.69Å; G643-E645 VanDerWaalsContact C-N 3.29Å; E645-N647 PolarHBondContact O-N 2.92Å; E645-N647 VanDerWaalsContact O-N 3.1Å
646F90.6Very high87.3Confident0 Ų039 Ų390%022%0.219CC..  trans-83.742.7177.8-85.437.6000112F642 P653 N656 F657 I679 D682F642-F646 HydrophobicContact CB-CD1 4.05Å; F642-F646 HydrophobicContact CB-CE1 3.66Å; F642-F646 HydrophobicContact CB-CZ 4.39Å; F642-F646 HydrophobicContact CD1-CE1 4.05Å; F642-F646 HydrophobicContact CG-CE1 4Å; F646-P653 HydrophobicContact CB-CG 4.37Å; F646-P653 HydrophobicContact CD2-CG 3.82Å; F646-P653 WeakPolarHBondContact O-CD 3.28Å; F646-N656 HydrophobicContact CB-CB 4.24Å; F646-N656 HydrophobicContact CD2-CB 4.09Å; F646-F657 HydrophobicContact CE1-CD2 4.44Å; F646-F657 HydrophobicContact CE2-CD2 4.05Å; F646-F657 HydrophobicContact CE2-CE2 4.22Å; F646-F657 AromaticContact CZ-CD2 3.98Å; F646-F657 HydrophobicContact CZ-CD2 3.98Å; F646-F657 HydrophobicContact CZ-CE2 4.09Å; F646-I679 HydrophobicContact CE2-CG2 4.49Å; F646-D682 HydrophobicContact CD2-CB 4.33Å; F646-D682 HydrophobicContact CE2-CB 3.74Å; F646-D682 HydrophobicContact CZ-CB 3.85Å
647N88.6Confident87.5Confident72 Ų7238.7 Ų38.739%0.38522%0.217SC..  trans-119.286.8179.3-68.2-78.3000108.6G644 E645G644-N647 PolarHBondContact O-ND2 2.65Å; E645-N647 PolarHBondContact O-N 2.92Å; E645-N647 VanDerWaalsContact O-N 3.1Å
648F88.3Confident87.6Confident31 Ų3137.1 Ų37.114%0.13621%0.209CC..BIsolated β-bridgetrans-92.7163.5-178-48.3-57.8000111.7D650 G651 P653 D682 R685F648-D650 VanDerWaalsContact C-N 3.25Å; F648-D650 PolarHBondContact O-N 3.12Å; F648-G651 PolarHBondContact N-O 3.37Å; F648-G651 CarbonylContact O-C 3.5Å; F648-G651 WeakPolarHBondContact O-CA 3.42Å; F648-G651 PolarHBondContact O-N 2.83Å; F648-P653 HydrophobicContact CE2-CG 4.25Å; F648-D682 HydrophobicContact CE2-CB 3.97Å; F648-D682 WeakPolarHBondContact CE2-OD1 3.36Å; F648-D682 HydrophobicContact CZ-CB 4.05Å; F648-R685 HydrophobicContact CD1-CG 4.22Å; F648-R685 HydrophobicContact CE1-CB 4.16Å; F648-R685 HydrophobicContact CE1-CG 3.84Å; F648-R685 HydrophobicContact CZ-CB 4.27Å; F648-R685 HydrophobicContact CZ-CG 4.33Å
649D83.1Confident87.6Confident166 Ų16639 Ų3989%0.88822%0.221SC*.THydrogen-bonded Turntrans-64.3-30.1179.1-53.2-73.4000112.8G651D649-G651 PolarHBondContact O-N 3.23Å
650D75.9Confident87.6Confident124 Ų12440.5 Ų40.566%0.66323%0.227SC*.THydrogen-bonded Turntrans-71.6-6.5174.4-39.3-62.8000112.9F648 R685F648-D650 VanDerWaalsContact C-N 3.25Å; F648-D650 PolarHBondContact O-N 3.12Å; D650-R685 IonicContact OD2-CZ 2.72Å; D650-R685 IonicContact OD2-NH1 3.22Å; D650-R685 PolarHBondContact OD2-NH1 3Å; D650-R685 IonicContact OD2-NH2 2.72Å; D650-R685 PolarHBondContact OD2-NH2 2.8Å
651G81.3Confident87.8Confident39 Ų3942.6 Ų42.640%0.40224%0.241SC..BIsolated β-bridgetrans112-177.3-171.800000113.2F648 D649F648-G651 PolarHBondContact N-O 3.37Å; F648-G651 CarbonylContact O-C 3.5Å; F648-G651 WeakPolarHBondContact O-CA 3.42Å; F648-G651 PolarHBondContact O-N 2.83Å; D649-G651 PolarHBondContact O-N 3.23Å
652K86.3Confident88Confident96 Ų9641.5 Ų41.542%0.41724%0.235SC..  trans-100.8126.6-179.1169.4171.5172.3175.60110.4N656 D658K652-N656 WeakPolarHBondContact CE-ND2 3.38Å; K652-N656 WeakPolarHBondContact CE-OD1 3.34Å; K652-N656 PolarHBondContact NZ-OD1 3.29Å; K652-D658 IonicContact NZ-OD2 3.72Å; K652-D658 PolarHBondContact NZ-OD2 2.91Å
653P87.2Confident88.1Confident28 Ų2841.5 Ų41.518%0.18224%0.235CC..  trans-64.5143.8177.227.7-36000111.7F646 F648 Q655 N656 D682F646-P653 HydrophobicContact CB-CG 4.37Å; F646-P653 HydrophobicContact CD2-CG 3.82Å; F646-P653 WeakPolarHBondContact O-CD 3.28Å; F648-P653 HydrophobicContact CE2-CG 4.25Å; P653-Q655 PolarHBondContact O-N 2.99Å; P653-Q655 VanDerWaalsContact O-N 3.15Å; P653-N656 PolarHBondContact O-ND2 3.18Å; P653-D682 WeakPolarHBondContact CG-OD2 3.23Å
654G84.2Confident88.3Confident33 Ų3342.4 Ų42.434%0.3424%0.237SC..SBendtrans-63.6-19.7179.700000114.1K662G654-K662 PolarHBondContact O-NZ 2.82Å
655Q90.2Very high88.7Confident48 Ų4843.1 Ų43.122%0.22424%0.241CC..SBendtrans-102.6112.6175.2-55.7166.719.600107.2P653 T666P653-Q655 PolarHBondContact O-N 2.99Å; P653-Q655 VanDerWaalsContact O-N 3.15Å; Q655-T666 HydrophobicContact CB-CG2 4.37Å
656N91.4Very high88.9Confident6 Ų640.9 Ų40.93%0.03223%0.231CC..  trans-158.8163.7-171.757.283.2000113.1F646 K652 P653 K662 A663 T666F646-N656 HydrophobicContact CB-CB 4.24Å; F646-N656 HydrophobicContact CD2-CB 4.09Å; K652-N656 WeakPolarHBondContact CE-ND2 3.38Å; K652-N656 WeakPolarHBondContact CE-OD1 3.34Å; K652-N656 PolarHBondContact NZ-OD1 3.29Å; P653-N656 PolarHBondContact O-ND2 3.18Å; N656-K662 CarbonylContact O-C 3.58Å; N656-K662 VanDerWaalsContact O-C 3.29Å; N656-K662 VanDerWaalsContact O-CB 3.25Å; N656-K662 WeakPolarHBondContact O-CB 2.79Å; N656-A663 PolarHBondContact O-N 2.72Å; N656-T666 PolarHBondContact N-OG1 3.04Å
657F93.2Very high89Confident0 Ų040.9 Ų40.90%023%0.231CC..SBendtrans-105.215.9-172.8-66.6-83.8000114.5M639 F642 G643 F646 A663 T666 V667 I670 I679 Y700M639-F657 WeakPolarHBondContact CA-O 3.48Å; M639-F657 VanDerWaalsContact CG-O 3.28Å; M639-F657 WeakPolarHBondContact CG-O 3.31Å; F642-F657 HydrophobicContact CB-CB 4.03Å; F642-F657 HydrophobicContact CB-CD2 3.81Å; F642-F657 HydrophobicContact CB-CG 4.12Å; F642-F657 AromaticContact CD2-CD2 4Å; F642-F657 HydrophobicContact CD2-CD2 4Å; F642-F657 HydrophobicContact CD2-CE2 4.09Å; F642-F657 HydrophobicContact CD2-CG 4.38Å; F642-F657 HydrophobicContact CG-CD2 4.26Å; G643-F657 WeakPolarHBondContact CA-O 3.06Å; F646-F657 HydrophobicContact CE1-CD2 4.44Å; F646-F657 HydrophobicContact CE2-CD2 4.05Å; F646-F657 HydrophobicContact CE2-CE2 4.22Å; F646-F657 AromaticContact CZ-CD2 3.98Å; F646-F657 HydrophobicContact CZ-CD2 3.98Å; F646-F657 HydrophobicContact CZ-CE2 4.09Å; F657-A663 HydrophobicContact CD1-CB 3.88Å; F657-T666 HydrophobicContact CE1-CG2 4.24Å; F657-T666 HydrophobicContact CE2-CG2 3.84Å; F657-T666 HydrophobicContact CZ-CG2 3.59Å; F657-V667 HydrophobicContact CE1-CG2 4.04Å; F657-I670 HydrophobicContact CZ-CD1 4.39Å; F657-I679 HydrophobicContact CE2-CG2 4.02Å; F657-I679 HydrophobicContact CZ-CG2 4.43Å; F657-Y700 HydrophobicContact CZ-CE1 4.29Å
658D90.9Very high89.2Confident10 Ų1037.7 Ų37.75%0.05321%0.214CC..SBendtrans-75.3-29.4-173.5-67.19.7000113.8H116 G644 K652H116-D658 PolarHBondContact N-O 2.95Å; G644-D658 WeakPolarHBondContact CA-OD1 3.42Å; G644-D658 PolarHBondContact N-OD1 2.84Å; K652-D658 IonicContact NZ-OD2 3.72Å; K652-D658 PolarHBondContact NZ-OD2 2.91Å
659T90.6Very high89.4Confident40 Ų4036.5 Ų36.525%0.24521%0.208CC..SBendtrans-130.7149.3-177.768.60000110.3V115 V661 K662 A663V115-T659 HydrophobicContact CG1-CG2 4.19Å; V115-T659 HydrophobicContact CG2-CG2 4.35Å; T659-V661 VanDerWaalsContact C-N 3.3Å; T659-V661 PolarHBondContact O-N 2.85Å; T659-K662 PolarHBondContact O-N 2.87Å; T659-A663 WeakPolarHBondContact O-CB 3.33Å; T659-A663 PolarHBondContact O-N 3.36Å
660F90.7Very high89.9Confident34 Ų3428.6 Ų28.615%0.14917%0.166CC..Hα-helixtrans-57.7-38-177.9177.8-103.4000113.8A112 L632 A635 L636 M639 L664A112-F660 HydrophobicContact CB-CB 4.14Å; A112-F660 HydrophobicContact CB-CD1 3.84Å; A112-F660 HydrophobicContact CB-CD2 3.87Å; A112-F660 HydrophobicContact CB-CE1 4.22Å; A112-F660 HydrophobicContact CB-CE2 4.25Å; A112-F660 HydrophobicContact CB-CG 3.65Å; A112-F660 HydrophobicContact CB-CZ 4.41Å; A112-F660 VanDerWaalsContact O-CB 3.22Å; A112-F660 WeakPolarHBondContact O-CB 3.48Å; L632-F660 HydrophobicContact CD1-CZ 4.22Å; L632-F660 HydrophobicContact CG-CE2 4.13Å; L632-F660 HydrophobicContact CG-CZ 4.23Å; A635-F660 HydrophobicContact CB-CE2 4.49Å; L636-F660 HydrophobicContact CD2-CD2 3.94Å; L636-F660 HydrophobicContact CD2-CE2 4.29Å; L636-F660 HydrophobicContact CG-CE2 4.42Å; M639-F660 HydrophobicContact CE-CB 4.25Å; M639-F660 HydrophobicContact SD-CB 4.01Å; M639-F660 HydrophobicContact SD-CD2 4.15Å; F660-L664 HydrophobicContact CE1-CD2 4.22Å; F660-L664 HydrophobicContact CZ-CD1 4.4Å; F660-L664 HydrophobicContact CZ-CD2 4.31Å; F660-L664 WeakPolarHBondContact O-CB 3.43Å; F660-L664 PolarHBondContact O-N 2.7Å
661V90.3Very high90.6Very high67 Ų6723 Ų2341%0.40614%0.136SC..Hα-helixtrans-66.9-46.2179.8-1790000111.1T659 L664 L665T659-V661 VanDerWaalsContact C-N 3.3Å; T659-V661 PolarHBondContact O-N 2.85Å; V661-L664 PolarHBondContact O-N 2.88Å; V661-L665 HydrophobicContact CG1-CD1 4.26Å; V661-L665 WeakPolarHBondContact O-CG 3.45Å; V661-L665 PolarHBondContact O-N 2.89Å; V661-L665 VanDerWaalsContact O-N 3.08Å
662K91.7Very high90.9Very high19 Ų1922.9 Ų22.98%0.08313%0.127CC..Hα-helixtrans-65.7-46.6176-73.1-74.3-174.5171.60111.6G654 N656 T659 L664 L665 T666 D1103G654-K662 PolarHBondContact O-NZ 2.82Å; N656-K662 CarbonylContact O-C 3.58Å; N656-K662 VanDerWaalsContact O-C 3.29Å; N656-K662 VanDerWaalsContact O-CB 3.25Å; N656-K662 WeakPolarHBondContact O-CB 2.79Å; T659-K662 PolarHBondContact O-N 2.87Å; K662-L664 VanDerWaalsContact C-N 3.28Å; K662-L664 PolarHBondContact O-N 3.39Å; K662-L665 PolarHBondContact O-N 3.37Å; K662-L665 VanDerWaalsContact O-N 3.1Å; K662-T666 WeakPolarHBondContact O-CB 3.35Å; K662-T666 PolarHBondContact O-N 2.84Å; K662-T666 PolarHBondContact O-OG1 3.26Å; K662-D1103 WeakPolarHBondContact CE-OD1 3.39Å; K662-D1103 WeakPolarHBondContact CE-OD2 3.48Å; K662-D1103 IonicContact NZ-OD1 3.08Å; K662-D1103 PolarHBondContact NZ-OD1 3.33Å; K662-D1103 IonicContact NZ-OD2 3.17Å; K662-D1103 PolarHBondContact NZ-OD2 3.01Å
663A93.3Very high91Very high0 Ų018.6 Ų18.60%011%0.111CC..Hα-helixtrans-57.8-39.3176.400000112.6A635 M639 N656 F657 T659 V667A635-A663 HydrophobicContact CB-CB 4.1Å; M639-A663 HydrophobicContact CG-CB 3.61Å; M639-A663 HydrophobicContact SD-CB 4.11Å; N656-A663 PolarHBondContact O-N 2.72Å; F657-A663 HydrophobicContact CD1-CB 3.88Å; T659-A663 WeakPolarHBondContact O-CB 3.33Å; T659-A663 PolarHBondContact O-N 3.36Å; A663-V667 WeakPolarHBondContact O-CB 3.28Å; A663-V667 WeakPolarHBondContact O-CG2 2.96Å; A663-V667 PolarHBondContact O-N 3.24Å
664L92.2Very high91.1Very high27 Ų2718.3 Ų18.314%0.14111%0.107CC..Hα-helixtrans-67.6-39.6176.5-172.771.3000112.1F628 M631 A635 F660 V661 K662 F668F628-L664 HydrophobicContact CE2-CD2 4.18Å; M631-L664 HydrophobicContact CB-CD1 3.76Å; A635-L664 HydrophobicContact CB-CB 4.4Å; A635-L664 HydrophobicContact CB-CD1 4.34Å; F660-L664 HydrophobicContact CE1-CD2 4.22Å; F660-L664 HydrophobicContact CZ-CD1 4.4Å; F660-L664 HydrophobicContact CZ-CD2 4.31Å; F660-L664 WeakPolarHBondContact O-CB 3.43Å; F660-L664 PolarHBondContact O-N 2.7Å; V661-L664 PolarHBondContact O-N 2.88Å; K662-L664 VanDerWaalsContact C-N 3.28Å; K662-L664 PolarHBondContact O-N 3.39Å; L664-F668 VanDerWaalsContact O-CB 3.26Å; L664-F668 WeakPolarHBondContact O-CB 3.45Å; L664-F668 PolarHBondContact O-N 3.07Å
665L92.7Very high91.4Very high15 Ų1519.2 Ų19.28%0.07910%0.104CC..Hα-helixtrans-70.2-42.5176.4-68.9171.4000112.1V661 K662 F668 Q669 L1087 M1091 A1109 I1113V661-L665 HydrophobicContact CG1-CD1 4.26Å; V661-L665 WeakPolarHBondContact O-CG 3.45Å; V661-L665 PolarHBondContact O-N 2.89Å; V661-L665 VanDerWaalsContact O-N 3.08Å; K662-L665 PolarHBondContact O-N 3.37Å; K662-L665 VanDerWaalsContact O-N 3.1Å; L665-F668 WeakPolarHBondContact O-CB 3.37Å; L665-F668 PolarHBondContact O-N 3.02Å; L665-Q669 WeakPolarHBondContact O-CB 3.44Å; L665-Q669 PolarHBondContact O-N 2.95Å; L665-L1087 HydrophobicContact CD2-CD2 4.49Å; L665-M1091 HydrophobicContact CD1-CE 3.97Å; L665-M1091 HydrophobicContact CD1-SD 4.04Å; L665-A1109 HydrophobicContact CD1-CB 3.85Å; L665-A1109 HydrophobicContact CD2-CB 3.76Å; L665-A1109 HydrophobicContact CG-CB 4.47Å; L665-I1113 HydrophobicContact CD2-CD1 3.94Å; L665-I1113 HydrophobicContact CD2-CG1 4.44Å
666T93.8Very high91.6Very high3 Ų317 Ų172%0.0189%0.093CC..Hα-helixtrans-65.5-38.1175.6-61.30000111.6Q655 N656 F657 K662 Q669 I670 I679Q655-T666 HydrophobicContact CB-CG2 4.37Å; N656-T666 PolarHBondContact N-OG1 3.04Å; F657-T666 HydrophobicContact CE1-CG2 4.24Å; F657-T666 HydrophobicContact CE2-CG2 3.84Å; F657-T666 HydrophobicContact CZ-CG2 3.59Å; K662-T666 WeakPolarHBondContact O-CB 3.35Å; K662-T666 PolarHBondContact O-N 2.84Å; K662-T666 PolarHBondContact O-OG1 3.26Å; T666-Q669 PolarHBondContact O-N 3.3Å; T666-I670 HydrophobicContact CG2-CD1 4.35Å; T666-I670 WeakPolarHBondContact O-CD1 3.44Å; T666-I670 VanDerWaalsContact O-CG1 3.31Å; T666-I670 WeakPolarHBondContact O-CG1 3.4Å; T666-I670 PolarHBondContact O-N 3.29Å; T666-I670 VanDerWaalsContact O-N 3.09Å; T666-I679 HydrophobicContact CG2-CD1 3.79Å; T666-I679 HydrophobicContact CG2-CG1 4.29Å; T666-I679 HydrophobicContact CG2-CG2 3.68Å
667V93.9Very high91.6Very high0 Ų017.1 Ų17.10%09%0.094CC..Hα-helixtrans-67.1-40.6170.4165.50000112M631 F634 A635 F657 A663 Q669 I670 L671 Y700 L704M631-V667 HydrophobicContact CB-CG1 4.24Å; M631-V667 HydrophobicContact CG-CG1 4.28Å; F634-V667 HydrophobicContact CB-CG1 3.91Å; F634-V667 HydrophobicContact CB-CG2 4.22Å; A635-V667 HydrophobicContact CB-CG2 4.22Å; F657-V667 HydrophobicContact CE1-CG2 4.04Å; A663-V667 WeakPolarHBondContact O-CB 3.28Å; A663-V667 WeakPolarHBondContact O-CG2 2.96Å; A663-V667 PolarHBondContact O-N 3.24Å; V667-Q669 PolarHBondContact O-N 2.79Å; V667-I670 PolarHBondContact O-N 3.26Å; V667-L671 HydrophobicContact CG1-CD1 3.98Å; V667-L671 HydrophobicContact CG1-CG 4.48Å; V667-L671 WeakPolarHBondContact O-CB 3.45Å; V667-L671 WeakPolarHBondContact O-CG 3.31Å; V667-L671 PolarHBondContact O-N 3.04Å; V667-Y700 WeakPolarHBondContact CG2-OH 3.26Å; V667-L704 HydrophobicContact CG1-CD1 4.41Å; V667-L704 HydrophobicContact CG1-CD2 4.17Å; V667-L704 HydrophobicContact CG2-CD2 4.16Å
668F91.3Very high91.6Very high6 Ų621.6 Ų21.63%0.02612%0.116CC..Hα-helixtrans-60.4-36.8174.5178.1-108.2000111.7M631 L664 L665 L671 T672 W1083 I1113 F1116 F1121M631-F668 HydrophobicContact SD-CB 4.05Å; M631-F668 HydrophobicContact SD-CD2 3.68Å; M631-F668 HydrophobicContact SD-CG 4.34Å; L664-F668 VanDerWaalsContact O-CB 3.26Å; L664-F668 WeakPolarHBondContact O-CB 3.45Å; L664-F668 PolarHBondContact O-N 3.07Å; L665-F668 WeakPolarHBondContact O-CB 3.37Å; L665-F668 PolarHBondContact O-N 3.02Å; F668-L671 CarbonylContact O-C 3.53Å; F668-L671 WeakPolarHBondContact O-CB 3.49Å; F668-L671 PolarHBondContact O-N 2.88Å; F668-T672 HydrophobicContact CE1-CG2 4.2Å; F668-T672 HydrophobicContact CZ-CG2 4.16Å; F668-T672 PolarHBondContact O-N 3.28Å; F668-W1083 AromaticContact CD1-CH2 3.8Å; F668-W1083 HydrophobicContact CD1-CH2 3.8Å; F668-W1083 AromaticContact CE1-CH2 3.87Å; F668-W1083 HydrophobicContact CE1-CH2 3.87Å; F668-W1083 HydrophobicContact CE1-CZ2 4.49Å; F668-W1083 HydrophobicContact CE1-CZ3 4.37Å; F668-I1113 HydrophobicContact CD1-CG1 4.38Å; F668-I1113 HydrophobicContact CE1-CG1 4.24Å; F668-F1116 HydrophobicContact CE1-CB 4.38Å; F668-F1116 HydrophobicContact CE1-CD2 4.14Å; F668-F1116 HydrophobicContact CE1-CG 4.21Å; F668-F1116 HydrophobicContact CZ-CB 3.63Å; F668-F1116 HydrophobicContact CZ-CD1 4.46Å; F668-F1116 HydrophobicContact CZ-CD2 4.23Å; F668-F1116 AromaticContact CZ-CG 3.86Å; F668-F1116 HydrophobicContact CZ-CG 3.86Å; F668-F1121 HydrophobicContact CE2-CE2 4.11Å; F668-F1121 HydrophobicContact CE2-CZ 4.35Å
669Q93.5Very high91.7Very high6 Ų621.1 Ų21.13%0.02811%0.114CC..Hα-helixtrans-67-49.1176.5-174.6-171.9-27.300112.9L665 T666 V667 L671 T672 G673 E674 I679 W1083 P1084L665-Q669 WeakPolarHBondContact O-CB 3.44Å; L665-Q669 PolarHBondContact O-N 2.95Å; T666-Q669 PolarHBondContact O-N 3.3Å; V667-Q669 PolarHBondContact O-N 2.79Å; Q669-L671 PolarHBondContact O-N 3.19Å; Q669-L671 VanDerWaalsContact O-N 3.09Å; Q669-T672 PolarHBondContact O-N 3.04Å; Q669-T672 PolarHBondContact O-OG1 3.37Å; Q669-G673 PolarHBondContact O-N 2.77Å; Q669-G673 VanDerWaalsContact O-N 3.13Å; Q669-E674 WeakPolarHBondContact CG-O 3.43Å; Q669-I679 HydrophobicContact CG-CD1 4.38Å; Q669-W1083 HydrophobicContact CB-CH2 4.29Å; Q669-W1083 HydrophobicContact CB-CZ2 3.96Å; Q669-W1083 HydrophobicContact CG-CZ2 3.89Å; Q669-P1084 HydrophobicContact CG-CG 4.09Å
670I93.1Very high91.9Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-58.3-27.2173.4-58.9157.8000111.4F657 T666 V667 W676 I679 F701 L704 V705F657-I670 HydrophobicContact CZ-CD1 4.39Å; T666-I670 HydrophobicContact CG2-CD1 4.35Å; T666-I670 WeakPolarHBondContact O-CD1 3.44Å; T666-I670 VanDerWaalsContact O-CG1 3.31Å; T666-I670 WeakPolarHBondContact O-CG1 3.4Å; T666-I670 PolarHBondContact O-N 3.29Å; T666-I670 VanDerWaalsContact O-N 3.09Å; V667-I670 PolarHBondContact O-N 3.26Å; I670-W676 HydrophobicContact CB-CB 4.42Å; I670-W676 HydrophobicContact CG1-CB 4.27Å; I670-W676 HydrophobicContact CG2-CB 4.14Å; I670-I679 HydrophobicContact CD1-CD1 4.19Å; I670-I679 HydrophobicContact CD1-CG2 4.25Å; I670-I679 HydrophobicContact CG1-CD1 3.67Å; I670-F701 HydrophobicContact CD1-CD1 3.84Å; I670-F701 HydrophobicContact CD1-CE1 3.92Å; I670-L704 HydrophobicContact CB-CD2 3.87Å; I670-L704 HydrophobicContact CB-CG 4.26Å; I670-L704 HydrophobicContact CD1-CD2 3.92Å; I670-L704 HydrophobicContact CG2-CB 4.1Å; I670-L704 HydrophobicContact CG2-CD2 3.66Å; I670-L704 HydrophobicContact CG2-CG 3.68Å; I670-V705 HydrophobicContact CG2-CG2 3.55Å
671L90.3Very high92Very high7 Ų718 Ų184%0.03710%0.097CC..Hα-helixtrans-84.4-16.4174.8-71175.1000115.3L627 F630 M631 V667 F668 Q669 L704 L712L627-L671 HydrophobicContact CD1-CD1 4.31Å; F630-L671 HydrophobicContact CD1-CD1 4.42Å; F630-L671 HydrophobicContact CE1-CD2 4.14Å; M631-L671 HydrophobicContact CG-CD1 3.43Å; M631-L671 VanDerWaalsContact CG-CD1 3.43Å; M631-L671 HydrophobicContact SD-CD1 4.08Å; V667-L671 HydrophobicContact CG1-CD1 3.98Å; V667-L671 HydrophobicContact CG1-CG 4.48Å; V667-L671 WeakPolarHBondContact O-CB 3.45Å; V667-L671 WeakPolarHBondContact O-CG 3.31Å; V667-L671 PolarHBondContact O-N 3.04Å; F668-L671 CarbonylContact O-C 3.53Å; F668-L671 WeakPolarHBondContact O-CB 3.49Å; F668-L671 PolarHBondContact O-N 2.88Å; Q669-L671 PolarHBondContact O-N 3.19Å; Q669-L671 VanDerWaalsContact O-N 3.09Å; L671-L704 HydrophobicContact CD1-CD1 4.39Å; L671-L704 HydrophobicContact CD2-CD1 3.52Å; L671-L704 HydrophobicContact CD2-CG 4.22Å; L671-L704 HydrophobicContact CG-CD1 3.9Å; L671-L704 HydrophobicContact CG-CG 4.45Å; L671-L712 HydrophobicContact CB-CD1 4.26Å; L671-L712 HydrophobicContact CD1-CD1 4.23Å; L671-L712 HydrophobicContact CD2-CD1 3.87Å; L671-L712 HydrophobicContact CG-CD1 4.37Å
672T88.7Confident92.1Very high35 Ų3516.2 Ų16.222%0.2159%0.085CC..Hα-helixtrans-79.7-27.1166530000111.7F668 Q669 W1083 F1116 F1121F668-T672 HydrophobicContact CE1-CG2 4.2Å; F668-T672 HydrophobicContact CZ-CG2 4.16Å; F668-T672 PolarHBondContact O-N 3.28Å; Q669-T672 PolarHBondContact O-N 3.04Å; Q669-T672 PolarHBondContact O-OG1 3.37Å; T672-W1083 HydrophobicContact CG2-CZ2 4.09Å; T672-W1083 WeakPolarHBondContact OG1-CZ2 3.3Å; T672-W1083 PolarHBondContact OG1-NE1 2.93Å; T672-F1116 HydrophobicContact CG2-CD1 3.64Å; T672-F1116 HydrophobicContact CG2-CE1 3.52Å; T672-F1116 HydrophobicContact CG2-CG 4.39Å; T672-F1116 HydrophobicContact CG2-CZ 4.17Å; T672-F1121 HydrophobicContact CG2-CZ 4.47Å
673G87.4Confident92.2Very high6 Ų615.3 Ų15.36%0.0628%0.081CC..THydrogen-bonded Turntrans106.1-13.6175.900000114.8E329 Q669E329-G673 WeakPolarHBondContact CG-O 3.24Å; E329-G673 VanDerWaalsContact OE2-O 3.08Å; Q669-G673 PolarHBondContact O-N 2.77Å; Q669-G673 VanDerWaalsContact O-N 3.13Å
674E89.9Confident92.1Very high22 Ų2215.4 Ų15.410%0.1038%0.081CC..SBendtrans-83.7141.2-175.8170.793.1153.900113.3E329 Q669 W676 G1080 E1081 G1082 P1084E329-E674 WeakPolarHBondContact OE2-CA 3.42Å; Q669-E674 WeakPolarHBondContact CG-O 3.43Å; E674-W676 PolarHBondContact O-N 3.37Å; E674-G1080 VanDerWaalsContact OE2-O 3.04Å; E674-E1081 VanDerWaalsContact OE1-CA 3.29Å; E674-E1081 WeakPolarHBondContact OE1-CA 3.42Å; E674-G1082 PolarHBondContact OE1-N 3.05Å; E674-P1084 HydrophobicContact CG-CG 3.64Å; E674-P1084 WeakPolarHBondContact OE1-CD 3.5Å
675D91.2Very high92Very high53 Ų5317 Ų1728%0.2839%0.085SC..SBendtrans59.29.8170.9-101.1-20000113.8E329 N677 M678 I679 P1084E329-D675 PolarHBondContact OE2-N 2.85Å; D675-N677 PolarHBondContact O-N 3.03Å; D675-M678 WeakPolarHBondContact O-CB 3.35Å; D675-M678 PolarHBondContact O-N 3.5Å; D675-M678 VanDerWaalsContact O-N 3.11Å; D675-I679 PolarHBondContact O-N 2.98Å; D675-P1084 HydrophobicContact CB-CG 4.38Å
676W93.7Very high91.9Very high0 Ų017.3 Ų17.30%09%0.089CC..Hα-helixtrans-67.5-26.6-171.577.9-82.8000112.6F323 Q324 T327 I670 E674 M680 F701 V705F323-W676 AromaticContact CD1-CH2 3.71Å; F323-W676 HydrophobicContact CD1-CH2 3.71Å; F323-W676 HydrophobicContact CD1-CZ2 4.02Å; F323-W676 AromaticContact CE1-CH2 3.56Å; F323-W676 HydrophobicContact CE1-CH2 3.56Å; F323-W676 AromaticContact CE1-CZ2 3.81Å; F323-W676 HydrophobicContact CE1-CZ2 3.81Å; F323-W676 HydrophobicContact CE1-CZ3 4.38Å; Q324-W676 HydrophobicContact CB-CZ2 4.29Å; T327-W676 HydrophobicContact CG2-CZ2 4.15Å; T327-W676 WeakPolarHBondContact OG1-CZ2 3.46Å; T327-W676 PolarHBondContact OG1-NE1 2.9Å; I670-W676 HydrophobicContact CB-CB 4.42Å; I670-W676 HydrophobicContact CG1-CB 4.27Å; I670-W676 HydrophobicContact CG2-CB 4.14Å; E674-W676 PolarHBondContact O-N 3.37Å; W676-M680 HydrophobicContact CE3-CB 4.38Å; W676-M680 HydrophobicContact CH2-CE 4.29Å; W676-M680 HydrophobicContact CH2-SD 4.23Å; W676-M680 HydrophobicContact CZ3-CB 4.36Å; W676-M680 HydrophobicContact CZ3-CE 4.08Å; W676-M680 HydrophobicContact CZ3-SD 3.64Å; W676-M680 WeakPolarHBondContact O-CB 3.22Å; W676-M680 PolarHBondContact O-N 2.84Å; W676-F701 HydrophobicContact CE3-CB 4.11Å; W676-F701 HydrophobicContact CZ3-CB 4.13Å; W676-V705 HydrophobicContact CB-CG2 4.22Å; W676-V705 HydrophobicContact CD2-CG2 3.65Å; W676-V705 HydrophobicContact CE3-CG2 3.8Å; W676-V705 HydrophobicContact CG-CG2 3.85Å; W676-V705 HydrophobicContact CZ3-CG2 4.48Å
677N92.4Very high91.7Very high10 Ų1018.6 Ų18.65%0.05310%0.095CC..Hα-helixtrans-63.4-44.1173.158.3-14.3000111.1Q324 D675 M680 Y681Q324-N677 HydrophobicContact CG-CB 4.41Å; Q324-N677 PolarHBondContact NE2-ND2 3.47Å; D675-N677 PolarHBondContact O-N 3.03Å; N677-M680 WeakPolarHBondContact O-CB 3.46Å; N677-M680 PolarHBondContact O-N 2.78Å; N677-M680 VanDerWaalsContact O-N 3.17Å; N677-Y681 HydrophobicContact CB-CE1 4.39Å; N677-Y681 HydrophobicContact CB-CE2 4.43Å; N677-Y681 WeakPolarHBondContact O-CD1 3.32Å; N677-Y681 WeakPolarHBondContact O-CD2 3.33Å; N677-Y681 WeakPolarHBondContact O-CE1 3.43Å; N677-Y681 PolarHBondContact O-N 2.92Å
678M91.8Very high91.1Very high93 Ų9320.3 Ų20.346%0.45811%0.112SC..Hα-helixtrans-62.7-46.8176.8-59.7-61.9-8600111.1D675 M680 Y681 D682D675-M678 WeakPolarHBondContact O-CB 3.35Å; D675-M678 PolarHBondContact O-N 3.5Å; D675-M678 VanDerWaalsContact O-N 3.11Å; M678-M680 VanDerWaalsContact C-N 3.25Å; M678-M680 PolarHBondContact O-N 2.88Å; M678-Y681 PolarHBondContact O-N 3.31Å; M678-Y681 VanDerWaalsContact O-N 3.09Å; M678-Y681 HydrophobicContact SD-CD2 3.77Å; M678-Y681 HydrophobicContact SD-CE2 3.61Å; M678-D682 PolarHBondContact O-N 3.23Å; M678-D682 VanDerWaalsContact O-N 3.08Å
679I93.9Very high90.8Very high1 Ų120.8 Ų20.81%0.00512%0.119CC..Hα-helixtrans-62.9-34.2175.7-50.7161.7000111.1F646 F657 T666 Q669 I670 D675 G683 F701F646-I679 HydrophobicContact CE2-CG2 4.49Å; F657-I679 HydrophobicContact CE2-CG2 4.02Å; F657-I679 HydrophobicContact CZ-CG2 4.43Å; T666-I679 HydrophobicContact CG2-CD1 3.79Å; T666-I679 HydrophobicContact CG2-CG1 4.29Å; T666-I679 HydrophobicContact CG2-CG2 3.68Å; Q669-I679 HydrophobicContact CG-CD1 4.38Å; I670-I679 HydrophobicContact CD1-CD1 4.19Å; I670-I679 HydrophobicContact CD1-CG2 4.25Å; I670-I679 HydrophobicContact CG1-CD1 3.67Å; D675-I679 PolarHBondContact O-N 2.98Å; I679-G683 PolarHBondContact O-N 3.05Å; I679-F701 HydrophobicContact CB-CE1 4.38Å; I679-F701 HydrophobicContact CG2-CE1 3.76Å; I679-F701 HydrophobicContact CG2-CZ 4.43Å
680M94.6Very high90.3Very high0 Ų022.3 Ų22.30%013%0.128CC..Hα-helixtrans-67.4-39174178.4-174.86500112L320 W676 N677 M678 G683 I684 C698 F701L320-M680 HydrophobicContact CD1-CE 4.18Å; L320-M680 HydrophobicContact CD1-SD 3.82Å; L320-M680 HydrophobicContact CD2-CE 3.95Å; L320-M680 HydrophobicContact CD2-SD 3.98Å; L320-M680 HydrophobicContact CG-CE 4.15Å; L320-M680 HydrophobicContact CG-SD 4.3Å; W676-M680 HydrophobicContact CE3-CB 4.38Å; W676-M680 HydrophobicContact CH2-CE 4.29Å; W676-M680 HydrophobicContact CH2-SD 4.23Å; W676-M680 HydrophobicContact CZ3-CB 4.36Å; W676-M680 HydrophobicContact CZ3-CE 4.08Å; W676-M680 HydrophobicContact CZ3-SD 3.64Å; W676-M680 WeakPolarHBondContact O-CB 3.22Å; W676-M680 PolarHBondContact O-N 2.84Å; N677-M680 WeakPolarHBondContact O-CB 3.46Å; N677-M680 PolarHBondContact O-N 2.78Å; N677-M680 VanDerWaalsContact O-N 3.17Å; M678-M680 VanDerWaalsContact C-N 3.25Å; M678-M680 PolarHBondContact O-N 2.88Å; M680-G683 PolarHBondContact O-N 2.78Å; M680-I684 HydrophobicContact CG-CD1 3.89Å; M680-I684 WeakPolarHBondContact O-CG1 3.35Å; M680-I684 PolarHBondContact O-N 3.36Å; M680-I684 HydrophobicContact SD-CD1 4.47Å; M680-C698 HydrophobicContact CG-CB 4.49Å; M680-C698 HydrophobicContact SD-CB 4.05Å; M680-F701 HydrophobicContact CB-CB 4.16Å; M680-F701 HydrophobicContact CB-CD1 4.28Å; M680-F701 HydrophobicContact CB-CD2 3.97Å; M680-F701 HydrophobicContact CB-CE2 4.47Å; M680-F701 HydrophobicContact CB-CG 3.86Å; M680-F701 HydrophobicContact CG-CB 4.23Å; M680-F701 HydrophobicContact CG-CD2 3.83Å; M680-F701 HydrophobicContact CG-CE2 4.48Å; M680-F701 HydrophobicContact CG-CG 4.09Å
681Y93.2Very high89.6Confident8 Ų828.1 Ų28.13%0.03116%0.16CC..Hα-helixtrans-63-47.9176.6-52.3-30.7000110.9N306 I309 T310 Q324 N677 M678 G683 I684 R685N306-Y681 HydrophobicContact CB-CD1 4.22Å; N306-Y681 HydrophobicContact CB-CD2 3.83Å; N306-Y681 HydrophobicContact CB-CE1 4.14Å; N306-Y681 HydrophobicContact CB-CE2 3.74Å; N306-Y681 HydrophobicContact CB-CG 4.1Å; N306-Y681 VanDerWaalsContact CG-CE2 3.42Å; I309-Y681 HydrophobicContact CB-CD1 4.22Å; I309-Y681 HydrophobicContact CD1-CD1 4.07Å; I309-Y681 HydrophobicContact CD1-CG 4.39Å; I309-Y681 HydrophobicContact CG2-CD1 3.99Å; I309-Y681 HydrophobicContact CG2-CE1 4.26Å; T310-Y681 HydrophobicContact CG2-CE1 3.71Å; T310-Y681 WeakPolarHBondContact CG2-OH 3.45Å; Q324-Y681 PolarHBondContact NE2-OH 2.72Å; Q324-Y681 PolarHBondContact OE1-OH 2.75Å; N677-Y681 HydrophobicContact CB-CE1 4.39Å; N677-Y681 HydrophobicContact CB-CE2 4.43Å; N677-Y681 WeakPolarHBondContact O-CD1 3.32Å; N677-Y681 WeakPolarHBondContact O-CD2 3.33Å; N677-Y681 WeakPolarHBondContact O-CE1 3.43Å; N677-Y681 PolarHBondContact O-N 2.92Å; M678-Y681 PolarHBondContact O-N 3.31Å; M678-Y681 VanDerWaalsContact O-N 3.09Å; M678-Y681 HydrophobicContact SD-CD2 3.77Å; M678-Y681 HydrophobicContact SD-CE2 3.61Å; Y681-G683 VanDerWaalsContact C-N 3.3Å; Y681-G683 PolarHBondContact O-N 3.25Å; Y681-I684 PolarHBondContact O-N 3.07Å; Y681-R685 WeakPolarHBondContact O-CB 3.48Å; Y681-R685 PolarHBondContact O-N 3.35Å
682D92.4Very high89.2Confident30 Ų3034.2 Ų34.216%0.1619%0.192CC..Hα-helixtrans-59.4-41.1172.8-78.2-13.9000111.7F646 F648 P653 M678 I684 R685 S686F646-D682 HydrophobicContact CD2-CB 4.33Å; F646-D682 HydrophobicContact CE2-CB 3.74Å; F646-D682 HydrophobicContact CZ-CB 3.85Å; F648-D682 HydrophobicContact CE2-CB 3.97Å; F648-D682 WeakPolarHBondContact CE2-OD1 3.36Å; F648-D682 HydrophobicContact CZ-CB 4.05Å; P653-D682 WeakPolarHBondContact CG-OD2 3.23Å; M678-D682 PolarHBondContact O-N 3.23Å; M678-D682 VanDerWaalsContact O-N 3.08Å; D682-I684 PolarHBondContact O-N 3.44Å; D682-R685 PolarHBondContact O-N 2.97Å; D682-S686 WeakPolarHBondContact O-CB 3.47Å; D682-S686 PolarHBondContact O-N 3.05Å; D682-S686 PolarHBondContact O-OG 3.31Å
683G92.1Very high88.8Confident0 Ų034.4 Ų34.40%020%0.201CC..Hα-helixtrans-55.1-48.1173.600000112.7I679 M680 Y681 S686 Q687I679-G683 PolarHBondContact O-N 3.05Å; M680-G683 PolarHBondContact O-N 2.78Å; Y681-G683 VanDerWaalsContact C-N 3.3Å; Y681-G683 PolarHBondContact O-N 3.25Å; G683-S686 PolarHBondContact O-OG 3.02Å; G683-Q687 WeakPolarHBondContact O-CG 3.46Å
684I92.4Very high88.7Confident1 Ų134.1 Ų34.11%0.00520%0.198CC..Hα-helixtrans-71.1-42.2178.4-68.4164.1000111.1I309 M680 Y681 D682 S686 Q687 G689 C698I309-I684 HydrophobicContact CD1-CB 3.79Å; I309-I684 HydrophobicContact CD1-CD1 4.07Å; I309-I684 HydrophobicContact CD1-CG2 3.71Å; I309-I684 HydrophobicContact CG1-CD1 4.46Å; I309-I684 HydrophobicContact CG1-CG2 4.09Å; I309-I684 HydrophobicContact CG2-CD1 3.84Å; M680-I684 HydrophobicContact CG-CD1 3.89Å; M680-I684 WeakPolarHBondContact O-CG1 3.35Å; M680-I684 PolarHBondContact O-N 3.36Å; M680-I684 HydrophobicContact SD-CD1 4.47Å; Y681-I684 PolarHBondContact O-N 3.07Å; D682-I684 PolarHBondContact O-N 3.44Å; I684-S686 PolarHBondContact O-N 3.28Å; I684-Q687 PolarHBondContact O-N 3.46Å; I684-G689 VanDerWaalsContact O-CA 3.32Å; I684-G689 WeakPolarHBondContact O-CA 3.37Å; I684-G689 PolarHBondContact O-N 3.38Å; I684-C698 HydrophobicContact CD1-CB 4.12Å
685R91Very high88.5Confident60 Ų6035.7 Ų35.723%0.22621%0.205CC..Hα-helixtrans-57.1-48.3176.4-172.1179.6-178.9-169.1-0.7111.2Y307 F648 D650 Y681 D682 Q687 G688 G689Y307-R685 PolarHBondContact OH-NH1 3.28Å; F648-R685 HydrophobicContact CD1-CG 4.22Å; F648-R685 HydrophobicContact CE1-CB 4.16Å; F648-R685 HydrophobicContact CE1-CG 3.84Å; F648-R685 HydrophobicContact CZ-CB 4.27Å; F648-R685 HydrophobicContact CZ-CG 4.33Å; D650-R685 IonicContact OD2-CZ 2.72Å; D650-R685 IonicContact OD2-NH1 3.22Å; D650-R685 PolarHBondContact OD2-NH1 3Å; D650-R685 IonicContact OD2-NH2 2.72Å; D650-R685 PolarHBondContact OD2-NH2 2.8Å; Y681-R685 WeakPolarHBondContact O-CB 3.48Å; Y681-R685 PolarHBondContact O-N 3.35Å; D682-R685 PolarHBondContact O-N 2.97Å; R685-Q687 PolarHBondContact O-N 2.95Å; R685-Q687 VanDerWaalsContact O-N 3.16Å; R685-G688 PolarHBondContact O-N 2.69Å; R685-G688 VanDerWaalsContact O-N 3.13Å; R685-G689 PolarHBondContact O-N 3.1Å
686S90Very high88.4Confident22 Ų2237.7 Ų37.715%0.15422%0.219CC..Hα-helixtrans-59.6-26.5-179.977.20000114.3D682 G683 I684 G688D682-S686 WeakPolarHBondContact O-CB 3.47Å; D682-S686 PolarHBondContact O-N 3.05Å; D682-S686 PolarHBondContact O-OG 3.31Å; G683-S686 PolarHBondContact O-OG 3.02Å; I684-S686 PolarHBondContact O-N 3.28Å; S686-G688 VanDerWaalsContact C-N 3.35Å
687Q88.9Confident88.2Confident31 Ų3141.7 Ų41.715%0.14523%0.234CC..THydrogen-bonded Turntrans-98.324.2-179-56.4-56.7-6300112.7L641 F642 G683 I684 R685 Y697L641-Q687 PolarHBondContact O-NE2 3.46Å; F642-Q687 HydrophobicContact CD1-CG 4.25Å; F642-Q687 HydrophobicContact CE1-CG 4.06Å; G683-Q687 WeakPolarHBondContact O-CG 3.46Å; I684-Q687 PolarHBondContact O-N 3.46Å; R685-Q687 PolarHBondContact O-N 2.95Å; R685-Q687 VanDerWaalsContact O-N 3.16Å; Q687-Y697 HydrophobicContact CB-CD2 3.58Å; Q687-Y697 HydrophobicContact CB-CE2 3.6Å; Q687-Y697 HydrophobicContact CB-CG 4.29Å; Q687-Y697 HydrophobicContact CG-CD1 4.11Å; Q687-Y697 HydrophobicContact CG-CD2 3.58Å; Q687-Y697 HydrophobicContact CG-CE1 4.21Å; Q687-Y697 HydrophobicContact CG-CE2 3.68Å; Q687-Y697 HydrophobicContact CG-CG 3.8Å; Q687-Y697 PolarHBondContact OE1-OH 3.38Å
688G82.2Confident88.2Confident35 Ų3541.7 Ų41.736%0.36124%0.235SC..THydrogen-bonded Turntrans90.811.3177.600000115R685 S686 N692R685-G688 PolarHBondContact O-N 2.69Å; R685-G688 VanDerWaalsContact O-N 3.13Å; S686-G688 VanDerWaalsContact C-N 3.35Å; G688-N692 WeakPolarHBondContact O-CB 3.46Å; G688-N692 PolarHBondContact O-ND2 2.92Å
689G84.8Confident88.2Confident16 Ų1641.7 Ų41.717%0.16524%0.236CC..THydrogen-bonded Turntrans69.5-164.9172.500000115.3I684 R685 N691 G694I684-G689 VanDerWaalsContact O-CA 3.32Å; I684-G689 WeakPolarHBondContact O-CA 3.37Å; I684-G689 PolarHBondContact O-N 3.38Å; R685-G689 PolarHBondContact O-N 3.1Å; G689-N691 VanDerWaalsContact C-N 3.32Å; G689-N691 PolarHBondContact O-N 3.29Å; G689-G694 WeakPolarHBondContact O-CA 3.26Å; G689-G694 PolarHBondContact O-N 2.93Å
690V82.2Confident88.1Confident38 Ų3842.5 Ų42.523%0.2324%0.239CC..THydrogen-bonded Turntrans-56.9-42.8-178.2173.20000111.9Y307 I309 Y317Y307-V690 WeakPolarHBondContact O-CG2 3.17Å; I309-V690 HydrophobicContact CG1-CG2 3.79Å; Y317-V690 HydrophobicContact CE2-CG1 4.4Å; Y317-V690 WeakPolarHBondContact OH-CG1 3.25Å
691N78.9Confident88.1Confident123 Ų12342.5 Ų42.566%0.65824%0.239SC*.THydrogen-bonded Turntrans-77.9-31.6-170.5-65.8-39000114.3G689G689-N691 VanDerWaalsContact C-N 3.32Å; G689-N691 PolarHBondContact O-N 3.29Å
692N80.9Confident88Confident134 Ų13443.6 Ų43.672%0.71725%0.247SC*.THydrogen-bonded Turntrans-99.614-175-58.4-71.4000114.1G688G688-N692 WeakPolarHBondContact O-CB 3.46Å; G688-N692 PolarHBondContact O-ND2 2.92Å
693G81.6Confident87.8Confident39 Ų3945.6 Ų45.640%0.40226%0.257SS..THydrogen-bonded Turntrans88.911.117700000115.5F695 V696G693-F695 PolarHBondContact O-N 2.86Å; G693-F695 VanDerWaalsContact O-N 3.08Å; G693-V696 PolarHBondContact O-N 3.45Å
694G84.6Confident87.8Confident0 Ų045.6 Ų45.60%026%0.257CS..G310 helixtrans-56.7-23.8176.700000113.7G689 V696 Y697G689-G694 WeakPolarHBondContact O-CA 3.26Å; G689-G694 PolarHBondContact O-N 2.93Å; G694-V696 PolarHBondContact O-N 2.92Å; G694-V696 VanDerWaalsContact O-N 3.11Å; G694-Y697 WeakPolarHBondContact O-CD2 3.38Å; G694-Y697 PolarHBondContact O-N 2.75Å; G694-Y697 VanDerWaalsContact O-N 3.08Å
695F87Confident87.7Confident56 Ų5645.7 Ų45.725%0.24626%0.257CS..G310 helixtrans-50.5-33.6174.7177.8-106.5000114.2Y317 L320 G693 Y697 C698Y317-F695 AromaticContact CD1-CD2 3.82Å; Y317-F695 HydrophobicContact CD1-CD2 3.82Å; Y317-F695 AromaticContact CD1-CE2 3.73Å; Y317-F695 HydrophobicContact CD1-CE2 3.73Å; Y317-F695 HydrophobicContact CE1-CB 4.3Å; Y317-F695 AromaticContact CE1-CD2 3.3Å; Y317-F695 HydrophobicContact CE1-CD2 3.3Å; Y317-F695 AromaticContact CE1-CE2 3.7Å; Y317-F695 HydrophobicContact CE1-CE2 3.7Å; Y317-F695 AromaticContact CE1-CG 3.91Å; Y317-F695 HydrophobicContact CE1-CG 3.91Å; L320-F695 HydrophobicContact CB-CE2 4.38Å; L320-F695 HydrophobicContact CD2-CD2 4.32Å; L320-F695 HydrophobicContact CD2-CE2 3.78Å; G693-F695 PolarHBondContact O-N 2.86Å; G693-F695 VanDerWaalsContact O-N 3.08Å; F695-Y697 PolarHBondContact O-N 3.44Å; F695-Y697 VanDerWaalsContact O-N 3.11Å; F695-C698 VanDerWaalsContact O-CB 3.29Å; F695-C698 WeakPolarHBondContact O-CB 3.37Å; F695-C698 PolarHBondContact O-N 3.42Å; F695-C698 PolarHBondContact O-SG 2.72Å
696V88.4Confident87.4Confident95 Ų9546.1 Ų46.158%0.57626%0.264SS*.G310 helixtrans-60-26.9-178.6-179.20000112.2G693 G694 C698 I699G693-V696 PolarHBondContact O-N 3.45Å; G694-V696 PolarHBondContact O-N 2.92Å; G694-V696 VanDerWaalsContact O-N 3.11Å; V696-C698 VanDerWaalsContact C-N 3.27Å; V696-C698 PolarHBondContact O-N 3.1Å; V696-I699 HydrophobicContact CG1-CD1 4.46Å; V696-I699 WeakPolarHBondContact O-CG1 3.13Å
697Y90.1Very high87Confident84 Ų8448.8 Ų48.833%0.32927%0.273SS..G310 helixtrans-74.9-11178.8-64.3-91.6000113.7L641 F642 Q687 G694 F695 I699 Y700L641-Y697 HydrophobicContact CD2-CD1 4.46Å; L641-Y697 HydrophobicContact CD2-CE1 4.12Å; F642-Y697 HydrophobicContact CE1-CD1 4.18Å; F642-Y697 HydrophobicContact CE1-CG 4.36Å; F642-Y697 HydrophobicContact CZ-CD1 4.37Å; Q687-Y697 HydrophobicContact CB-CD2 3.58Å; Q687-Y697 HydrophobicContact CB-CE2 3.6Å; Q687-Y697 HydrophobicContact CB-CG 4.29Å; Q687-Y697 HydrophobicContact CG-CD1 4.11Å; Q687-Y697 HydrophobicContact CG-CD2 3.58Å; Q687-Y697 HydrophobicContact CG-CE1 4.21Å; Q687-Y697 HydrophobicContact CG-CE2 3.68Å; Q687-Y697 HydrophobicContact CG-CG 3.8Å; Q687-Y697 PolarHBondContact OE1-OH 3.38Å; G694-Y697 WeakPolarHBondContact O-CD2 3.38Å; G694-Y697 PolarHBondContact O-N 2.75Å; G694-Y697 VanDerWaalsContact O-N 3.08Å; F695-Y697 PolarHBondContact O-N 3.44Å; F695-Y697 VanDerWaalsContact O-N 3.11Å; Y697-I699 PolarHBondContact O-N 3.4Å; Y697-I699 VanDerWaalsContact O-N 3.13Å; Y697-Y700 WeakPolarHBondContact O-CB 3.4Å; Y697-Y700 PolarHBondContact O-N 3.45Å; Y697-Y700 VanDerWaalsContact O-N 3.12Å
698C91.3Very high86.6Confident10 Ų1047.3 Ų47.37%0.06827%0.266CS..Hα-helixtrans-57.2-28.4172.778.70000112.2L320 M680 I684 F695 V696 Y700 F701 V702L320-C698 HydrophobicContact CD1-CB 4.44Å; L320-C698 HydrophobicContact CD2-CB 4.17Å; M680-C698 HydrophobicContact CG-CB 4.49Å; M680-C698 HydrophobicContact SD-CB 4.05Å; I684-C698 HydrophobicContact CD1-CB 4.12Å; F695-C698 VanDerWaalsContact O-CB 3.29Å; F695-C698 WeakPolarHBondContact O-CB 3.37Å; F695-C698 PolarHBondContact O-N 3.42Å; F695-C698 PolarHBondContact O-SG 2.72Å; V696-C698 VanDerWaalsContact C-N 3.27Å; V696-C698 PolarHBondContact O-N 3.1Å; C698-Y700 PolarHBondContact O-N 2.86Å; C698-F701 PolarHBondContact O-N 2.9Å; C698-F701 VanDerWaalsContact O-N 3.07Å; C698-V702 WeakPolarHBondContact O-CG2 3.48Å; C698-V702 PolarHBondContact O-N 3.17Å
699I91.4Very high86.4Confident93 Ų9347.8 Ų47.848%0.47726%0.26SS..Hα-helixtrans-58.3-33.2179.1-61.6173.8000111.6V696 Y697 L703V696-I699 HydrophobicContact CG1-CD1 4.46Å; V696-I699 WeakPolarHBondContact O-CG1 3.13Å; Y697-I699 PolarHBondContact O-N 3.4Å; Y697-I699 VanDerWaalsContact O-N 3.13Å; I699-L703 HydrophobicContact CG2-CD1 3.72Å; I699-L703 HydrophobicContact CG2-CG 4.09Å; I699-L703 VanDerWaalsContact O-CB 3.29Å; I699-L703 WeakPolarHBondContact O-CB 3.42Å; I699-L703 WeakPolarHBondContact O-CG 3.44Å; I699-L703 PolarHBondContact O-N 3.43Å
700Y92.8Very high86.1Confident17 Ų1750 Ų507%0.06726%0.264CS..Hα-helixtrans-60.8-49.2175.3169.9-92000111.2F634 L637 L641 F642 F657 V667 Y697 C698 L704F634-Y700 HydrophobicContact CD1-CD2 4.31Å; F634-Y700 AromaticContact CD1-CE2 3.73Å; F634-Y700 HydrophobicContact CD1-CE2 3.73Å; F634-Y700 HydrophobicContact CE1-CE2 4.4Å; F634-Y700 PolarHBondContact O-OH 3.05Å; L637-Y700 HydrophobicContact CB-CE2 4.34Å; L637-Y700 HydrophobicContact CD2-CD2 4.04Å; L637-Y700 HydrophobicContact CD2-CE2 4.05Å; L637-Y700 HydrophobicContact CG-CD2 4.27Å; L637-Y700 HydrophobicContact CG-CE2 4.06Å; L641-Y700 HydrophobicContact CD1-CD2 3.81Å; L641-Y700 HydrophobicContact CD1-CE2 4.36Å; L641-Y700 HydrophobicContact CD1-CG 4.29Å; F642-Y700 AromaticContact CE2-CD1 3.74Å; F642-Y700 HydrophobicContact CE2-CD1 3.74Å; F642-Y700 HydrophobicContact CE2-CE1 4.01Å; F642-Y700 HydrophobicContact CE2-CG 4.1Å; F642-Y700 HydrophobicContact CZ-CD1 4.35Å; F657-Y700 HydrophobicContact CZ-CE1 4.29Å; V667-Y700 WeakPolarHBondContact CG2-OH 3.26Å; Y697-Y700 WeakPolarHBondContact O-CB 3.4Å; Y697-Y700 PolarHBondContact O-N 3.45Å; Y697-Y700 VanDerWaalsContact O-N 3.12Å; C698-Y700 PolarHBondContact O-N 2.86Å; Y700-L704 HydrophobicContact CE1-CD2 4.21Å; Y700-L704 VanDerWaalsContact O-CB 3.28Å; Y700-L704 WeakPolarHBondContact O-CB 3.5Å; Y700-L704 PolarHBondContact O-N 3.04Å
701F94.2Very high85.5Confident0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-69.4-48.2-178.7-58.3-80.6000111.4F642 I670 W676 I679 M680 C698 L703 L704 V705F642-F701 HydrophobicContact CD2-CZ 4.48Å; F642-F701 HydrophobicContact CE1-CE2 4.36Å; F642-F701 HydrophobicContact CE2-CE2 4.03Å; F642-F701 AromaticContact CE2-CZ 3.75Å; F642-F701 HydrophobicContact CE2-CZ 3.75Å; F642-F701 AromaticContact CZ-CE2 3.61Å; F642-F701 HydrophobicContact CZ-CE2 3.61Å; F642-F701 AromaticContact CZ-CZ 3.77Å; F642-F701 HydrophobicContact CZ-CZ 3.77Å; I670-F701 HydrophobicContact CD1-CD1 3.84Å; I670-F701 HydrophobicContact CD1-CE1 3.92Å; W676-F701 HydrophobicContact CE3-CB 4.11Å; W676-F701 HydrophobicContact CZ3-CB 4.13Å; I679-F701 HydrophobicContact CB-CE1 4.38Å; I679-F701 HydrophobicContact CG2-CE1 3.76Å; I679-F701 HydrophobicContact CG2-CZ 4.43Å; M680-F701 HydrophobicContact CB-CB 4.16Å; M680-F701 HydrophobicContact CB-CD1 4.28Å; M680-F701 HydrophobicContact CB-CD2 3.97Å; M680-F701 HydrophobicContact CB-CE2 4.47Å; M680-F701 HydrophobicContact CB-CG 3.86Å; M680-F701 HydrophobicContact CG-CB 4.23Å; M680-F701 HydrophobicContact CG-CD2 3.83Å; M680-F701 HydrophobicContact CG-CE2 4.48Å; M680-F701 HydrophobicContact CG-CG 4.09Å; C698-F701 PolarHBondContact O-N 2.9Å; C698-F701 VanDerWaalsContact O-N 3.07Å; F701-L703 VanDerWaalsContact C-N 3.33Å; F701-L703 PolarHBondContact O-N 3.17Å; F701-L704 PolarHBondContact O-N 3.01Å; F701-L704 VanDerWaalsContact O-N 3.1Å; F701-V705 WeakPolarHBondContact O-CG2 3.33Å; F701-V705 PolarHBondContact O-N 3.25Å
702V91.2Very high84.9Confident32 Ų3244.1 Ų44.119%0.19423%0.232CC..Hα-helixtrans-58.9-41.9178.9173.40000111.9L320 F323 C698 L706L320-V702 HydrophobicContact CD1-CG2 3.83Å; F323-V702 HydrophobicContact CD1-CG1 4.42Å; F323-V702 HydrophobicContact CD1-CG2 4.09Å; F323-V702 HydrophobicContact CE1-CB 4.26Å; F323-V702 HydrophobicContact CE1-CG1 4Å; F323-V702 HydrophobicContact CE1-CG2 3.96Å; F323-V702 HydrophobicContact CE2-CG1 4.3Å; F323-V702 HydrophobicContact CZ-CG1 3.93Å; C698-V702 WeakPolarHBondContact O-CG2 3.48Å; C698-V702 PolarHBondContact O-N 3.17Å; V702-L706 WeakPolarHBondContact O-CB 3.5Å; V702-L706 PolarHBondContact O-N 3Å
703L89Confident84.1Confident72 Ų7241 Ų4138%0.37722%0.215SC..Hα-helixtrans-70.5-37175.6-69.3178.2000112.5I699 F701 F707I699-L703 HydrophobicContact CG2-CD1 3.72Å; I699-L703 HydrophobicContact CG2-CG 4.09Å; I699-L703 VanDerWaalsContact O-CB 3.29Å; I699-L703 WeakPolarHBondContact O-CB 3.42Å; I699-L703 WeakPolarHBondContact O-CG 3.44Å; I699-L703 PolarHBondContact O-N 3.43Å; F701-L703 VanDerWaalsContact C-N 3.33Å; F701-L703 PolarHBondContact O-N 3.17Å; L703-F707 HydrophobicContact CB-CD2 4.34Å; L703-F707 HydrophobicContact CB-CE2 4.47Å; L703-F707 HydrophobicContact CD2-CE2 4.01Å; L703-F707 WeakPolarHBondContact O-CB 3.46Å; L703-F707 VanDerWaalsContact O-CD2 3.24Å; L703-F707 WeakPolarHBondContact O-CD2 3.49Å; L703-F707 PolarHBondContact O-N 3.32Å
704L91.4Very high83.4Confident0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-66.6-43.6178.4-17853.7000111.6F630 F634 V667 I670 L671 Y700 F701 G708F630-L704 HydrophobicContact CE1-CD1 3.84Å; F634-L704 HydrophobicContact CB-CD1 4.17Å; F634-L704 HydrophobicContact CD1-CB 4.15Å; F634-L704 HydrophobicContact CD1-CD1 3.72Å; F634-L704 HydrophobicContact CD1-CD2 4.13Å; F634-L704 HydrophobicContact CD1-CG 4.22Å; F634-L704 HydrophobicContact CD2-CD1 4.24Å; F634-L704 HydrophobicContact CE1-CB 4.09Å; F634-L704 HydrophobicContact CE1-CD1 4.12Å; F634-L704 HydrophobicContact CG-CD1 3.77Å; V667-L704 HydrophobicContact CG1-CD1 4.41Å; V667-L704 HydrophobicContact CG1-CD2 4.17Å; V667-L704 HydrophobicContact CG2-CD2 4.16Å; I670-L704 HydrophobicContact CB-CD2 3.87Å; I670-L704 HydrophobicContact CB-CG 4.26Å; I670-L704 HydrophobicContact CD1-CD2 3.92Å; I670-L704 HydrophobicContact CG2-CB 4.1Å; I670-L704 HydrophobicContact CG2-CD2 3.66Å; I670-L704 HydrophobicContact CG2-CG 3.68Å; L671-L704 HydrophobicContact CD1-CD1 4.39Å; L671-L704 HydrophobicContact CD2-CD1 3.52Å; L671-L704 HydrophobicContact CD2-CG 4.22Å; L671-L704 HydrophobicContact CG-CD1 3.9Å; L671-L704 HydrophobicContact CG-CG 4.45Å; Y700-L704 HydrophobicContact CE1-CD2 4.21Å; Y700-L704 VanDerWaalsContact O-CB 3.28Å; Y700-L704 WeakPolarHBondContact O-CB 3.5Å; Y700-L704 PolarHBondContact O-N 3.04Å; F701-L704 PolarHBondContact O-N 3.01Å; F701-L704 VanDerWaalsContact O-N 3.1Å; L704-G708 VanDerWaalsContact O-CA 3.3Å; L704-G708 WeakPolarHBondContact O-CA 3.42Å; L704-G708 PolarHBondContact O-N 3.34Å
705V90.1Very high82.8Confident2 Ų240.5 Ų40.51%0.01220%0.204CC..Hα-helixtrans-66.3-46.5175.1175.50000111.3F323 T327 I670 W676 F701 G708 N709F323-V705 HydrophobicContact CZ-CG1 4.36Å; T327-V705 HydrophobicContact CG2-CG1 3.86Å; I670-V705 HydrophobicContact CG2-CG2 3.55Å; W676-V705 HydrophobicContact CB-CG2 4.22Å; W676-V705 HydrophobicContact CD2-CG2 3.65Å; W676-V705 HydrophobicContact CE3-CG2 3.8Å; W676-V705 HydrophobicContact CG-CG2 3.85Å; W676-V705 HydrophobicContact CZ3-CG2 4.48Å; F701-V705 WeakPolarHBondContact O-CG2 3.33Å; F701-V705 PolarHBondContact O-N 3.25Å; V705-G708 PolarHBondContact O-N 2.94Å; V705-N709 WeakPolarHBondContact O-CB 3.49Å; V705-N709 PolarHBondContact O-N 3.49Å
706L84Confident82.2Confident70 Ų7038.1 Ų38.137%0.36619%0.193SC..Iπ-helixtrans-63.7-48.9-179.3-170.8162.7000111.5V702 Y710V702-L706 WeakPolarHBondContact O-CB 3.5Å; V702-L706 PolarHBondContact O-N 3Å; L706-Y710 HydrophobicContact CG-CD2 4.42Å; L706-Y710 WeakPolarHBondContact O-CD2 3.31Å
707F81.6Confident81.6Confident78 Ų7833.7 Ų33.734%0.34217%0.167SC..Iπ-helixtrans-73.5-28.9176.9-69.7-53.8000112.6M222 F630 L703 T711M222-F707 HydrophobicContact CE-CD1 3.64Å; M222-F707 HydrophobicContact CE-CE1 3.66Å; F630-F707 HydrophobicContact CZ-CB 4.02Å; L703-F707 HydrophobicContact CB-CD2 4.34Å; L703-F707 HydrophobicContact CB-CE2 4.47Å; L703-F707 HydrophobicContact CD2-CE2 4.01Å; L703-F707 WeakPolarHBondContact O-CB 3.46Å; L703-F707 VanDerWaalsContact O-CD2 3.24Å; L703-F707 WeakPolarHBondContact O-CD2 3.49Å; L703-F707 PolarHBondContact O-N 3.32Å; F707-T711 WeakPolarHBondContact O-CA 3.49Å; F707-T711 WeakPolarHBondContact O-CB 3.27Å; F707-T711 PolarHBondContact O-N 2.95Å; F707-T711 PolarHBondContact O-OG1 3.03Å
708G80Confident80.9Confident0 Ų030.3 Ų30.30%016%0.156CC..Iπ-helixtrans-66.6-74.8175.300000112.6L704 V705 Y710 T711 L712L704-G708 VanDerWaalsContact O-CA 3.3Å; L704-G708 WeakPolarHBondContact O-CA 3.42Å; L704-G708 PolarHBondContact O-N 3.34Å; V705-G708 PolarHBondContact O-N 2.94Å; G708-Y710 CarbonylContact O-C 3.38Å; G708-Y710 PolarHBondContact O-N 3.33Å; G708-T711 PolarHBondContact O-N 2.97Å; G708-L712 VanDerWaalsContact O-CB 3.26Å; G708-L712 WeakPolarHBondContact O-CB 3.49Å; G708-L712 WeakPolarHBondContact O-CG 3.22Å; G708-L712 PolarHBondContact O-N 3.44Å
709N79.6Confident80Confident45 Ų4530.7 Ų30.724%0.24116%0.157CC..Iπ-helixtrans-58.2-38-168.9-64.615.7000111.5V705 L713V705-N709 WeakPolarHBondContact O-CB 3.49Å; V705-N709 PolarHBondContact O-N 3.49Å; N709-L713 WeakPolarHBondContact O-CB 3.36Å
710Y77.6Confident79.3Confident61 Ų6126.4 Ų26.424%0.23914%0.136CC..Iπ-helixtrans-78.1-67.7172.1-59.7-58.8000111.6L362 V366 L706 G708 L712 L713 N714L362-Y710 WeakPolarHBondContact CD2-OH 3.36Å; L362-Y710 HydrophobicContact CG-CE1 4.49Å; V366-Y710 HydrophobicContact CG1-CD1 4.01Å; V366-Y710 HydrophobicContact CG2-CD1 4.17Å; V366-Y710 HydrophobicContact CG2-CE1 4.17Å; L706-Y710 HydrophobicContact CG-CD2 4.42Å; L706-Y710 WeakPolarHBondContact O-CD2 3.31Å; G708-Y710 CarbonylContact O-C 3.38Å; G708-Y710 PolarHBondContact O-N 3.33Å; Y710-L712 VanDerWaalsContact C-N 3.28Å; Y710-L712 PolarHBondContact O-N 3.46Å; Y710-L712 VanDerWaalsContact O-N 3.12Å; Y710-L713 PolarHBondContact O-N 3.36Å; Y710-N714 VanDerWaalsContact C-ND2 3.28Å; Y710-N714 WeakPolarHBondContact O-CB 3.44Å; Y710-N714 PolarHBondContact O-N 3.45Å; Y710-N714 PolarHBondContact O-ND2 2.94Å; Y710-N714 PolarHBondContact O-OD1 2.97Å
711T69.6Low78.5Confident23 Ų2326.8 Ų26.814%0.14114%0.14CC..Hα-helixtrans-59.7-35.6-167.2-35.70000113.5I218 M222 F707 G708 V715I218-T711 HydrophobicContact CG2-CG2 3.52Å; M222-T711 HydrophobicContact CE-CG2 4.36Å; M222-T711 HydrophobicContact SD-CG2 3.9Å; F707-T711 WeakPolarHBondContact O-CA 3.49Å; F707-T711 WeakPolarHBondContact O-CB 3.27Å; F707-T711 PolarHBondContact O-N 2.95Å; F707-T711 PolarHBondContact O-OG1 3.03Å; G708-T711 PolarHBondContact O-N 2.97Å; T711-V715 WeakPolarHBondContact O-CG2 3.17Å; T711-V715 PolarHBondContact O-N 3.37Å
712L66.8Low77.7Confident15 Ų1528.3 Ų28.38%0.07915%0.148CC..Hα-helixtrans-73.2-53.7-179.1-58.8178.2000111.9L627 L671 G708 Y710 N714 V715 F716L627-L712 HydrophobicContact CD1-CD1 3.56Å; L627-L712 HydrophobicContact CD1-CD2 3.76Å; L627-L712 HydrophobicContact CD1-CG 4.3Å; L671-L712 HydrophobicContact CB-CD1 4.26Å; L671-L712 HydrophobicContact CD1-CD1 4.23Å; L671-L712 HydrophobicContact CD2-CD1 3.87Å; L671-L712 HydrophobicContact CG-CD1 4.37Å; G708-L712 VanDerWaalsContact O-CB 3.26Å; G708-L712 WeakPolarHBondContact O-CB 3.49Å; G708-L712 WeakPolarHBondContact O-CG 3.22Å; G708-L712 PolarHBondContact O-N 3.44Å; Y710-L712 VanDerWaalsContact C-N 3.28Å; Y710-L712 PolarHBondContact O-N 3.46Å; Y710-L712 VanDerWaalsContact O-N 3.12Å; L712-N714 PolarHBondContact O-N 3.12Å; L712-V715 PolarHBondContact O-N 3.07Å; L712-V715 VanDerWaalsContact O-N 3.15Å; L712-F716 WeakPolarHBondContact O-CD2 3.47Å; L712-F716 PolarHBondContact O-N 2.89Å
713L64.8Low77Confident69 Ų6928.2 Ų28.236%0.36115%0.147SC..Hα-helixtrans-53.9-44.4177.8-175.470000110.8N709 Y710 V715 F716 L717N709-L713 WeakPolarHBondContact O-CB 3.36Å; Y710-L713 PolarHBondContact O-N 3.36Å; L713-V715 VanDerWaalsContact C-N 3.34Å; L713-V715 PolarHBondContact O-N 3.42Å; L713-F716 PolarHBondContact O-N 3.35Å; L713-L717 VanDerWaalsContact O-CB 3.3Å; L713-L717 WeakPolarHBondContact O-CB 3.37Å; L713-L717 PolarHBondContact O-N 3.46Å
714N66.8Low76.4Confident5 Ų526.1 Ų26.13%0.02714%0.136CC..Hα-helixtrans-60.1-39.7-178.6-65-16.5000112.9L225 L370 F374 Y710 L712 A718L225-N714 WeakPolarHBondContact CD1-ND2 3.42Å; L370-N714 HydrophobicContact CD1-CB 3.66Å; L370-N714 VanDerWaalsContact CD1-ND2 3.32Å; L370-N714 WeakPolarHBondContact CD1-ND2 3.33Å; L370-N714 WeakPolarHBondContact CD1-OD1 3.25Å; L370-N714 HydrophobicContact CD2-CB 4.44Å; F374-N714 WeakPolarHBondContact CE2-O 3.18Å; Y710-N714 VanDerWaalsContact C-ND2 3.28Å; Y710-N714 WeakPolarHBondContact O-CB 3.44Å; Y710-N714 PolarHBondContact O-N 3.45Å; Y710-N714 PolarHBondContact O-ND2 2.94Å; Y710-N714 PolarHBondContact O-OD1 2.97Å; L712-N714 PolarHBondContact O-N 3.12Å; N714-A718 WeakPolarHBondContact O-CB 3.49Å; N714-A718 PolarHBondContact O-N 2.67Å
715V71.6Confident75.8Confident24 Ų2426.7 Ų26.715%0.14514%0.14CC..Hα-helixtrans-82.8-33.7-178.5-1730000111.4I218 L623 T711 L712 L713 A718 I719I218-V715 HydrophobicContact CD1-CG2 3.96Å; I218-V715 HydrophobicContact CG1-CG2 3.65Å; L623-V715 HydrophobicContact CD1-CB 4.06Å; L623-V715 HydrophobicContact CD1-CG1 3.65Å; L623-V715 HydrophobicContact CG-CG1 4.25Å; T711-V715 WeakPolarHBondContact O-CG2 3.17Å; T711-V715 PolarHBondContact O-N 3.37Å; L712-V715 PolarHBondContact O-N 3.07Å; L712-V715 VanDerWaalsContact O-N 3.15Å; L713-V715 VanDerWaalsContact C-N 3.34Å; L713-V715 PolarHBondContact O-N 3.42Å; V715-A718 WeakPolarHBondContact O-CB 3.09Å; V715-A718 PolarHBondContact O-N 3.16Å; V715-I719 WeakPolarHBondContact O-CG1 3.4Å; V715-I719 PolarHBondContact O-N 2.94Å
716F74.9Confident75.2Confident5 Ų528.3 Ų28.32%0.02215%0.149CC..Hα-helixtrans-62.2-44.6169.2-83.6-70.4000111.4L623 L624 L627 L712 L713 I719 A720 F1121 N1125L623-F716 HydrophobicContact CD1-CD1 3.92Å; L623-F716 HydrophobicContact CD1-CD2 4.25Å; L623-F716 HydrophobicContact CD1-CE1 4.1Å; L623-F716 HydrophobicContact CD1-CE2 4.42Å; L623-F716 HydrophobicContact CD1-CG 4Å; L623-F716 HydrophobicContact CD1-CZ 4.35Å; L623-F716 HydrophobicContact CD2-CD1 4.5Å; L623-F716 HydrophobicContact CD2-CD2 4.19Å; L623-F716 HydrophobicContact CD2-CE1 3.96Å; L623-F716 HydrophobicContact CD2-CE2 3.61Å; L623-F716 HydrophobicContact CD2-CZ 3.48Å; L623-F716 VanDerWaalsContact CD2-CZ 3.48Å; L624-F716 HydrophobicContact CD2-CE1 4.41Å; L624-F716 HydrophobicContact CD2-CZ 3.92Å; L627-F716 HydrophobicContact CD2-CE2 4.35Å; L627-F716 HydrophobicContact CD2-CZ 4.43Å; L712-F716 WeakPolarHBondContact O-CD2 3.47Å; L712-F716 PolarHBondContact O-N 2.89Å; L713-F716 PolarHBondContact O-N 3.35Å; F716-I719 PolarHBondContact O-N 3.27Å; F716-A720 WeakPolarHBondContact O-CB 3.31Å; F716-A720 PolarHBondContact O-N 3.07Å; F716-F1121 WeakPolarHBondContact CB-O 3.48Å; F716-F1121 HydrophobicContact CD1-CB 4.12Å; F716-F1121 WeakPolarHBondContact CD1-O 3.32Å; F716-F1121 HydrophobicContact CD2-CB 3.95Å; F716-F1121 HydrophobicContact CD2-CD2 4.46Å; F716-F1121 HydrophobicContact CD2-CG 4.18Å; F716-F1121 HydrophobicContact CE1-CB 3.95Å; F716-F1121 HydrophobicContact CE2-CB 3.76Å; F716-F1121 AromaticContact CE2-CD2 3.62Å; F716-F1121 HydrophobicContact CE2-CD2 3.62Å; F716-F1121 HydrophobicContact CE2-CE2 4.36Å; F716-F1121 AromaticContact CE2-CG 3.78Å; F716-F1121 HydrophobicContact CE2-CG 3.78Å; F716-F1121 HydrophobicContact CG-CB 4.13Å; F716-F1121 WeakPolarHBondContact CG-O 3.33Å; F716-F1121 HydrophobicContact CZ-CB 3.76Å; F716-F1121 AromaticContact CZ-CD2 3.77Å; F716-F1121 HydrophobicContact CZ-CD2 3.77Å; F716-F1121 HydrophobicContact CZ-CG 4.09Å; F716-N1125 WeakPolarHBondContact CB-ND2 3.38Å
717L75.7Confident74.8Confident2 Ų225.7 Ų25.71%0.0114%0.137CC..Hα-helixtrans-60.5-43.7173.2-178.563000111.9L367 L713 I719 A720 V721 V1128L367-L717 HydrophobicContact CD2-CD2 3.39Å; L713-L717 VanDerWaalsContact O-CB 3.3Å; L713-L717 WeakPolarHBondContact O-CB 3.37Å; L713-L717 PolarHBondContact O-N 3.46Å; L717-I719 VanDerWaalsContact C-N 3.31Å; L717-I719 PolarHBondContact O-N 2.77Å; L717-A720 PolarHBondContact O-N 3.14Å; L717-V721 HydrophobicContact CD1-CG2 3.98Å; L717-V721 HydrophobicContact CG-CG2 4.28Å; L717-V721 WeakPolarHBondContact O-CB 3.31Å; L717-V721 WeakPolarHBondContact O-CG2 3.5Å; L717-V721 PolarHBondContact O-N 3.02Å; L717-V1128 HydrophobicContact CD1-CB 3.98Å; L717-V1128 HydrophobicContact CD1-CG1 3.56Å; L717-V1128 HydrophobicContact CD2-CG1 4.44Å
718A73.6Confident74.5Confident14 Ų1424.9 Ų24.912%0.11613%0.134CC..Hα-helixtrans-55.2-46.8175.500000111.9F374 N714 V715 D722F374-A718 HydrophobicContact CD1-CB 4.05Å; F374-A718 HydrophobicContact CD2-CB 3.75Å; F374-A718 HydrophobicContact CE1-CB 3.78Å; F374-A718 HydrophobicContact CE2-CB 3.46Å; F374-A718 VanDerWaalsContact CE2-CB 3.46Å; F374-A718 HydrophobicContact CG-CB 4.06Å; F374-A718 HydrophobicContact CZ-CB 3.49Å; F374-A718 VanDerWaalsContact CZ-CB 3.49Å; N714-A718 WeakPolarHBondContact O-CB 3.49Å; N714-A718 PolarHBondContact O-N 2.67Å; V715-A718 WeakPolarHBondContact O-CB 3.09Å; V715-A718 PolarHBondContact O-N 3.16Å; A718-D722 WeakPolarHBondContact O-CB 3.38Å; A718-D722 PolarHBondContact O-N 3.23Å
719I72.6Confident74.4Confident17 Ų1727.4 Ų27.49%0.08715%0.146CC..Hα-helixtrans-67.5-40178.3-70.3-178.1000111S619 I620 L623 V715 F716 L717 N723S619-I719 WeakPolarHBondContact OG-CD1 3.44Å; I620-I719 HydrophobicContact CG1-CG2 4.07Å; L623-I719 HydrophobicContact CB-CD1 4.14Å; L623-I719 HydrophobicContact CD1-CD1 3.66Å; V715-I719 WeakPolarHBondContact O-CG1 3.4Å; V715-I719 PolarHBondContact O-N 2.94Å; F716-I719 PolarHBondContact O-N 3.27Å; L717-I719 VanDerWaalsContact C-N 3.31Å; L717-I719 PolarHBondContact O-N 2.77Å; I719-N723 WeakPolarHBondContact CG2-ND2 3.47Å; I719-N723 WeakPolarHBondContact O-CB 3.36Å; I719-N723 PolarHBondContact O-N 3.41Å; I719-N723 PolarHBondContact O-ND2 3.36Å
720A77.1Confident74.1Confident4 Ų426.1 Ų26.13%0.03314%0.139CC..Hα-helixtrans-62.9-49176.500000111.5F716 L717 L724 N1125 I1126 A1129F716-A720 WeakPolarHBondContact O-CB 3.31Å; F716-A720 PolarHBondContact O-N 3.07Å; L717-A720 PolarHBondContact O-N 3.14Å; A720-L724 WeakPolarHBondContact O-CB 3.16Å; A720-L724 PolarHBondContact O-N 3.23Å; A720-N1125 HydrophobicContact CB-CB 4.03Å; A720-N1125 WeakPolarHBondContact CB-O 3.13Å; A720-I1126 HydrophobicContact CB-CG1 4.19Å; A720-A1129 HydrophobicContact CB-CB 4.1Å
721V76.2Confident74Confident24 Ų2425.2 Ų25.215%0.14514%0.14CC..Hα-helixtrans-62.7-50177.8173.80000111.4L717 N723 A725 A1129L717-V721 HydrophobicContact CD1-CG2 3.98Å; L717-V721 HydrophobicContact CG-CG2 4.28Å; L717-V721 WeakPolarHBondContact O-CB 3.31Å; L717-V721 WeakPolarHBondContact O-CG2 3.5Å; L717-V721 PolarHBondContact O-N 3.02Å; V721-N723 PolarHBondContact O-N 3.3Å; V721-A725 WeakPolarHBondContact O-CB 3.43Å; V721-A725 PolarHBondContact O-N 3.25Å; V721-A1129 HydrophobicContact CB-CB 4.4Å; V721-A1129 HydrophobicContact CG2-CB 3.6Å
722D76.7Confident74.4Confident32 Ų3226.4 Ų26.417%0.17115%0.152CC..Hα-helixtrans-58.9-46179.7-105-15.9000111.4R378 K383 A718 N726R378-D722 VanDerWaalsContact CD-OD1 3.27Å; R378-D722 WeakPolarHBondContact CD-OD1 3.5Å; R378-D722 WeakPolarHBondContact CG-OD1 3.29Å; R378-D722 IonicContact NE-OD1 2.65Å; K383-D722 IonicContact NZ-OD1 2.68Å; K383-D722 IonicContact NZ-OD2 3.4Å; K383-D722 PolarHBondContact NZ-OD2 3.14Å; A718-D722 WeakPolarHBondContact O-CB 3.38Å; A718-D722 PolarHBondContact O-N 3.23Å; D722-N726 WeakPolarHBondContact O-CB 3.29Å; D722-N726 PolarHBondContact O-N 2.96Å; D722-N726 PolarHBondContact O-ND2 3.35Å
723N76.4Confident74.9Confident31 Ų3125.9 Ų25.917%0.16615%0.15CC..Hα-helixtrans-76.7-35.7-176.4-70.7-70.3000113.2S612 A616 I719 V721 A727S612-N723 PolarHBondContact OG-O 3.26Å; A616-N723 HydrophobicContact CB-CB 4.04Å; I719-N723 WeakPolarHBondContact CG2-ND2 3.47Å; I719-N723 WeakPolarHBondContact O-CB 3.36Å; I719-N723 PolarHBondContact O-N 3.41Å; I719-N723 PolarHBondContact O-ND2 3.36Å; V721-N723 PolarHBondContact O-N 3.3Å; N723-A727 WeakPolarHBondContact O-CB 3.42Å; N723-A727 PolarHBondContact O-N 3.44Å
724L77.3Confident75.5Confident28 Ų2823.6 Ų23.615%0.14714%0.138CC..Hα-helixtrans-70.6-45.1175.7-173.862.5000111.1A720 N726 A727 Q728 A1129 L1130 I1133A720-L724 WeakPolarHBondContact O-CB 3.16Å; A720-L724 PolarHBondContact O-N 3.23Å; L724-N726 VanDerWaalsContact C-N 3.33Å; L724-N726 PolarHBondContact O-N 3.23Å; L724-A727 PolarHBondContact O-N 3.29Å; L724-A727 VanDerWaalsContact O-N 3.12Å; L724-Q728 WeakPolarHBondContact O-CB 3.22Å; L724-Q728 PolarHBondContact O-N 2.84Å; L724-A1129 HydrophobicContact CD2-CB 4.06Å; L724-L1130 HydrophobicContact CD2-CB 3.67Å; L724-L1130 HydrophobicContact CD2-CG 4.33Å; L724-I1133 HydrophobicContact CB-CD1 4.24Å; L724-I1133 HydrophobicContact CD2-CD1 4.08Å; L724-I1133 HydrophobicContact CG-CD1 4.05Å
725A78.5Confident76.1Confident11 Ų1126.1 Ų26.19%0.09115%0.149CC..Hα-helixtrans-65-35.8175.800000112.1R378 V721 Q728 E729 I1133R378-A725 VanDerWaalsContact CZ-CB 3.49Å; V721-A725 WeakPolarHBondContact O-CB 3.43Å; V721-A725 PolarHBondContact O-N 3.25Å; A725-Q728 PolarHBondContact O-N 3.05Å; A725-E729 WeakPolarHBondContact O-CB 3.24Å; A725-E729 PolarHBondContact O-N 2.66Å; A725-I1133 HydrophobicContact CB-CD1 3.88Å
726N78.2Confident76.3Confident36 Ų3628.5 Ų28.519%0.19316%0.159CC..Hα-helixtrans-65.4-37.8171.5-72.7-21.1000112.1R378 F387 D722 L724 L730R378-N726 PolarHBondContact NH2-OD1 3.28Å; F387-N726 HydrophobicContact CD2-CB 4.19Å; F387-N726 WeakPolarHBondContact CD2-OD1 3.45Å; F387-N726 HydrophobicContact CE2-CB 4.16Å; D722-N726 WeakPolarHBondContact O-CB 3.29Å; D722-N726 PolarHBondContact O-N 2.96Å; D722-N726 PolarHBondContact O-ND2 3.35Å; L724-N726 VanDerWaalsContact C-N 3.33Å; L724-N726 PolarHBondContact O-N 3.23Å; N726-L730 WeakPolarHBondContact O-CB 3Å; N726-L730 PolarHBondContact O-N 2.72Å
727A75.3Confident76.5Confident15 Ų1530.7 Ų30.712%0.12417%0.169CC..Hα-helixtrans-71.8-34.717600000113.1N723 L724 T731N723-A727 WeakPolarHBondContact O-CB 3.42Å; N723-A727 PolarHBondContact O-N 3.44Å; L724-A727 PolarHBondContact O-N 3.29Å; L724-A727 VanDerWaalsContact O-N 3.12Å; A727-T731 WeakPolarHBondContact O-CB 3.25Å; A727-T731 PolarHBondContact O-N 2.97Å; A727-T731 PolarHBondContact O-OG1 3.48Å
728Q76.2Confident76.6Confident61 Ų6135.8 Ų35.829%0.28519%0.193SC..Hα-helixtrans-71.2-47.1174.4178.3159.3-30.800111.4L724 A725 L730 T731 A732 E1137L724-Q728 WeakPolarHBondContact O-CB 3.22Å; L724-Q728 PolarHBondContact O-N 2.84Å; A725-Q728 PolarHBondContact O-N 3.05Å; Q728-L730 VanDerWaalsContact C-N 3.27Å; Q728-L730 PolarHBondContact O-N 3.04Å; Q728-T731 PolarHBondContact O-N 2.92Å; Q728-A732 VanDerWaalsContact O-CB 3.27Å; Q728-A732 WeakPolarHBondContact O-CB 3.5Å; Q728-A732 PolarHBondContact O-N 2.9Å; Q728-E1137 PolarHBondContact NE2-OE2 3.02Å
729E76.8Confident76.9Confident53 Ų5337.4 Ų37.425%0.24820%0.196CC..Hα-helixtrans-61-36.4172.8-82.9-166.8-112.100112.1R378 R384 F387 A725 A733R378-E729 IonicContact CZ-OE1 2.67Å; R378-E729 VanDerWaalsContact CZ-OE1 3.22Å; R378-E729 IonicContact NH1-OE1 3.13Å; R378-E729 PolarHBondContact NH1-OE1 2.73Å; R378-E729 IonicContact NH2-OE1 2.79Å; R378-E729 PolarHBondContact NH2-OE1 3.35Å; R384-E729 IonicContact CZ-OE1 2.69Å; R384-E729 IonicContact CZ-OE2 2.74Å; R384-E729 VanDerWaalsContact CZ-OE2 3.22Å; R384-E729 VanDerWaalsContact NH1-CD 3.29Å; R384-E729 IonicContact NH1-OE1 3.8Å; R384-E729 PolarHBondContact NH1-OE1 2.96Å; R384-E729 IonicContact NH1-OE2 3.58Å; R384-E729 PolarHBondContact NH1-OE2 3.03Å; R384-E729 IonicContact NH2-OE2 3.3Å; R384-E729 PolarHBondContact NH2-OE2 3.21Å; F387-E729 HydrophobicContact CE1-CB 4.37Å; F387-E729 WeakPolarHBondContact CE1-OE2 3.19Å; F387-E729 HydrophobicContact CE2-CB 4.27Å; F387-E729 HydrophobicContact CZ-CB 3.64Å; A725-E729 WeakPolarHBondContact O-CB 3.24Å; A725-E729 PolarHBondContact O-N 2.66Å; E729-A733 WeakPolarHBondContact O-CB 3.01Å; E729-A733 PolarHBondContact O-N 3.4Å
730L74Confident77.5Confident19 Ų1939.8 Ų39.810%0.09921%0.209CC..Hα-helixtrans-67.8-47.7174.6-174.277.4000111.3R391 Q394 N726 Q728 A733 E734R391-L730 HydrophobicContact CB-CD1 4.32Å; R391-L730 HydrophobicContact CG-CD1 4.32Å; Q394-L730 HydrophobicContact CB-CD1 4.42Å; Q394-L730 VanDerWaalsContact NE2-CD2 3.34Å; Q394-L730 VanDerWaalsContact OE1-CD2 3.23Å; N726-L730 WeakPolarHBondContact O-CB 3Å; N726-L730 PolarHBondContact O-N 2.72Å; Q728-L730 VanDerWaalsContact C-N 3.27Å; Q728-L730 PolarHBondContact O-N 3.04Å; L730-A733 CarbonylContact O-C 3.07Å; L730-A733 WeakPolarHBondContact O-CB 3.17Å; L730-A733 PolarHBondContact O-N 3.04Å; L730-E734 WeakPolarHBondContact CD2-OE1 3.3Å; L730-E734 HydrophobicContact CG-CG 4.44Å; L730-E734 VanDerWaalsContact CG-OE1 3.31Å; L730-E734 WeakPolarHBondContact CG-OE1 3.32Å; L730-E734 WeakPolarHBondContact O-CB 3.44Å; L730-E734 WeakPolarHBondContact O-CG 3.48Å; L730-E734 PolarHBondContact O-N 3.44Å
731T75.9Confident77.8Confident42 Ų4242.1 Ų42.126%0.25823%0.228SC..Hα-helixtrans-65-43.3-179.5-56.40000111N608 A727 Q728 A733 E734 E735N608-T731 PolarHBondContact ND2-OG1 3.09Å; A727-T731 WeakPolarHBondContact O-CB 3.25Å; A727-T731 PolarHBondContact O-N 2.97Å; A727-T731 PolarHBondContact O-OG1 3.48Å; Q728-T731 PolarHBondContact O-N 2.92Å; T731-A733 VanDerWaalsContact C-N 3.32Å; T731-A733 PolarHBondContact O-N 3.15Å; T731-E734 PolarHBondContact O-N 3.22Å; T731-E735 WeakPolarHBondContact O-CG 3.49Å; T731-E735 PolarHBondContact O-N 2.71Å
732A77.6Confident78.1Confident47 Ų4745.4 Ų45.439%0.38825%0.245SC..Hα-helixtrans-61.7-38.8173.400000112.4Q728 E736Q728-A732 VanDerWaalsContact O-CB 3.27Å; Q728-A732 WeakPolarHBondContact O-CB 3.5Å; Q728-A732 PolarHBondContact O-N 2.9Å; A732-E736 VanDerWaalsContact O-CB 3.25Å; A732-E736 WeakPolarHBondContact O-CB 3.48Å; A732-E736 PolarHBondContact O-N 2.85Å
733A76.7Confident78.4Confident5 Ų547.5 Ų47.54%0.04125%0.253CS..Hα-helixtrans-67.3-34.5173.700000114R391 E729 L730 T731 E737R391-A733 VanDerWaalsContact NH1-CB 3.28Å; E729-A733 WeakPolarHBondContact O-CB 3.01Å; E729-A733 PolarHBondContact O-N 3.4Å; L730-A733 CarbonylContact O-C 3.07Å; L730-A733 WeakPolarHBondContact O-CB 3.17Å; L730-A733 PolarHBondContact O-N 3.04Å; T731-A733 VanDerWaalsContact C-N 3.32Å; T731-A733 PolarHBondContact O-N 3.15Å; A733-E737 WeakPolarHBondContact O-CB 3.34Å; A733-E737 WeakPolarHBondContact O-CG 3.42Å; A733-E737 PolarHBondContact O-N 3.07Å
734E76.9Confident78.8Confident21 Ų2150.4 Ų50.410%0.09827%0.268CS..Hα-helixtrans-71.6-41.9175.9-72.9172-169.500111R398 L730 T731 E737 Q738R398-E734 IonicContact CZ-OE1 2.79Å; R398-E734 IonicContact CZ-OE2 2.85Å; R398-E734 IonicContact NE-OE1 3.68Å; R398-E734 IonicContact NH1-OE1 2.74Å; R398-E734 IonicContact NH1-OE2 2.74Å; R398-E734 PolarHBondContact NH1-OE2 2.72Å; R398-E734 IonicContact NH2-OE1 2.69Å; R398-E734 PolarHBondContact NH2-OE1 2.78Å; R398-E734 IonicContact NH2-OE2 3.13Å; R398-E734 PolarHBondContact NH2-OE2 2.94Å; L730-E734 WeakPolarHBondContact CD2-OE1 3.3Å; L730-E734 HydrophobicContact CG-CG 4.44Å; L730-E734 VanDerWaalsContact CG-OE1 3.31Å; L730-E734 WeakPolarHBondContact CG-OE1 3.32Å; L730-E734 WeakPolarHBondContact O-CB 3.44Å; L730-E734 WeakPolarHBondContact O-CG 3.48Å; L730-E734 PolarHBondContact O-N 3.44Å; T731-E734 PolarHBondContact O-N 3.22Å; E734-E737 PolarHBondContact O-N 3.18Å; E734-Q738 WeakPolarHBondContact O-CB 3.29Å; E734-Q738 VanDerWaalsContact O-CG 3.25Å; E734-Q738 WeakPolarHBondContact O-CG 3.33Å; E734-Q738 PolarHBondContact O-N 3.49Å
735E79.1Confident79Confident58 Ų5851.4 Ų51.427%0.27128%0.281SS..Hα-helixtrans-65.6-41.1172.3-66.8176.9-154.700111.8T731 E737 Q738 R739T731-E735 WeakPolarHBondContact O-CG 3.49Å; T731-E735 PolarHBondContact O-N 2.71Å; E735-E737 VanDerWaalsContact C-N 3.35Å; E735-Q738 PolarHBondContact O-N 3.44Å; E735-R739 VanDerWaalsContact CB-NH1 3.29Å; E735-R739 WeakPolarHBondContact O-CB 3.43Å; E735-R739 VanDerWaalsContact O-CG 3.26Å; E735-R739 WeakPolarHBondContact O-CG 3.4Å; E735-R739 PolarHBondContact O-N 3.31Å; E735-R739 IonicContact OE2-CZ 3.8Å; E735-R739 IonicContact OE2-NH1 2.95Å; E735-R739 PolarHBondContact OE2-NH1 3.23Å; E735-R739 IonicContact OE2-NH2 3.08Å; E735-R739 PolarHBondContact OE2-NH2 3.21Å
736E77.1Confident79Confident74 Ų7456.4 Ų56.435%0.34630%0.302SS..Hα-helixtrans-54.8-50.9172.2-179.9-159.3-158.700110.1R391 A732 L740 K1948R391-E736 IonicContact NH2-OE2 2.63Å; R391-E736 PolarHBondContact NH2-OE2 3.31Å; R391-E736 VanDerWaalsContact NH2-OE2 3.08Å; A732-E736 VanDerWaalsContact O-CB 3.25Å; A732-E736 WeakPolarHBondContact O-CB 3.48Å; A732-E736 PolarHBondContact O-N 2.85Å; E736-L740 HydrophobicContact CG-CD1 3.92Å; E736-L740 VanDerWaalsContact O-CB 3.23Å; E736-L740 WeakPolarHBondContact O-CB 3.46Å; E736-L740 WeakPolarHBondContact O-CG 3.21Å; E736-L740 PolarHBondContact O-N 3.4Å; E736-K1948 IonicContact OE2-NZ 3.88Å
737E78.9Confident79Confident50 Ų5057.9 Ų57.923%0.23431%0.308CS..Hα-helixtrans-72.6-30.5-177.8-74.8172.2-178.100113.2R391 A733 E734 E735 A741 K1948R391-E737 IonicContact CZ-OE1 2.7Å; R391-E737 IonicContact NE-OE1 2.72Å; R391-E737 IonicContact NH2-OE1 3.63Å; R391-E737 PolarHBondContact NH2-OE1 3.21Å; A733-E737 WeakPolarHBondContact O-CB 3.34Å; A733-E737 WeakPolarHBondContact O-CG 3.42Å; A733-E737 PolarHBondContact O-N 3.07Å; E734-E737 PolarHBondContact O-N 3.18Å; E735-E737 VanDerWaalsContact C-N 3.35Å; E737-A741 WeakPolarHBondContact O-CB 3.45Å; E737-A741 PolarHBondContact O-N 3.39Å; E737-K1948 VanDerWaalsContact OE1-CE 3.32Å; E737-K1948 WeakPolarHBondContact OE1-CE 3.3Å; E737-K1948 IonicContact OE1-NZ 3.78Å; E737-K1948 PolarHBondContact OE1-NZ 2.66Å
738Q78.4Confident79.1Confident110 Ų11063.2 Ų63.251%0.51433%0.33SS..Hα-helixtrans-70.6-48.1172.4-78176.11.100112.4E734 E735 A741 N742E734-Q738 WeakPolarHBondContact O-CB 3.29Å; E734-Q738 VanDerWaalsContact O-CG 3.25Å; E734-Q738 WeakPolarHBondContact O-CG 3.33Å; E734-Q738 PolarHBondContact O-N 3.49Å; E735-Q738 PolarHBondContact O-N 3.44Å; Q738-A741 WeakPolarHBondContact O-CB 3.44Å; Q738-A741 PolarHBondContact O-N 2.92Å; Q738-A741 VanDerWaalsContact O-N 3.13Å; Q738-N742 PolarHBondContact O-N 3.08Å; Q738-N742 PolarHBondContact O-OD1 3.07Å
739R79.2Confident79.1Confident48 Ų4866.4 Ų66.418%0.18135%0.345CS..Hα-helixtrans-67.8-40.7-179.6-67.7167.8179.4134.80.5111E735 A741 N742 E743 Q800E735-R739 VanDerWaalsContact CB-NH1 3.29Å; E735-R739 WeakPolarHBondContact O-CB 3.43Å; E735-R739 VanDerWaalsContact O-CG 3.26Å; E735-R739 WeakPolarHBondContact O-CG 3.4Å; E735-R739 PolarHBondContact O-N 3.31Å; E735-R739 IonicContact OE2-CZ 3.8Å; E735-R739 IonicContact OE2-NH1 2.95Å; E735-R739 PolarHBondContact OE2-NH1 3.23Å; E735-R739 IonicContact OE2-NH2 3.08Å; E735-R739 PolarHBondContact OE2-NH2 3.21Å; R739-A741 VanDerWaalsContact C-N 3.29Å; R739-A741 PolarHBondContact O-N 2.63Å; R739-N742 PolarHBondContact O-N 3.47Å; R739-E743 WeakPolarHBondContact O-CB 3.47Å; R739-E743 WeakPolarHBondContact O-CG 3.29Å; R739-E743 PolarHBondContact O-N 3.38Å; R739-Q800 HydrophobicContact CB-CG 4.09Å; R739-Q800 VanDerWaalsContact CB-NE2 3.33Å; R739-Q800 VanDerWaalsContact CD-CB 3.47Å; R739-Q800 PolarHBondContact NE-O 2.95Å; R739-Q800 VanDerWaalsContact NH1-C 3.26Å; R739-Q800 PolarHBondContact NH1-O 2.84Å; R739-Q800 PolarHBondContact NH2-O 3.22Å
740L85Confident79.1Confident67 Ų6768.6 Ų68.635%0.35136%0.359SS..Hα-helixtrans-61.4-34.2169.2-73.1172.2000112.8E736 L744E736-L740 HydrophobicContact CG-CD1 3.92Å; E736-L740 VanDerWaalsContact O-CB 3.23Å; E736-L740 WeakPolarHBondContact O-CB 3.46Å; E736-L740 WeakPolarHBondContact O-CG 3.21Å; E736-L740 PolarHBondContact O-N 3.4Å; L740-L744 VanDerWaalsContact O-CB 3.27Å; L740-L744 WeakPolarHBondContact O-CB 3.04Å; L740-L744 WeakPolarHBondContact O-CD1 3.29Å; L740-L744 WeakPolarHBondContact O-CG 3.24Å; L740-L744 PolarHBondContact O-N 2.88Å
741A83.1Confident79.2Confident52 Ų5272.9 Ų72.943%0.4338%0.377SS..Hα-helixtrans-70.5-37.317500000112.2E737 Q738 R739 L744 A745E737-A741 WeakPolarHBondContact O-CB 3.45Å; E737-A741 PolarHBondContact O-N 3.39Å; Q738-A741 WeakPolarHBondContact O-CB 3.44Å; Q738-A741 PolarHBondContact O-N 2.92Å; Q738-A741 VanDerWaalsContact O-N 3.13Å; R739-A741 VanDerWaalsContact C-N 3.29Å; R739-A741 PolarHBondContact O-N 2.63Å; A741-L744 PolarHBondContact O-N 2.93Å; A741-A745 WeakPolarHBondContact O-CB 3.36Å; A741-A745 PolarHBondContact O-N 3.24Å
742N82.4Confident78.9Confident94 Ų9477 Ų7750%0.50339%0.393SS..Hα-helixtrans-66.1-50.4173.5-67.60.7000111Q738 R739 L744 A745 E746Q738-N742 PolarHBondContact O-N 3.08Å; Q738-N742 PolarHBondContact O-OD1 3.07Å; R739-N742 PolarHBondContact O-N 3.47Å; N742-L744 PolarHBondContact O-N 2.9Å; N742-A745 CarbonylContact O-C 3.14Å; N742-A745 WeakPolarHBondContact O-CA 3.3Å; N742-A745 WeakPolarHBondContact O-CB 3.43Å; N742-A745 PolarHBondContact O-N 2.96Å; N742-E746 WeakPolarHBondContact O-CG 3.48Å; N742-E746 PolarHBondContact O-N 3.38Å
743E82.5Confident78.8Confident76 Ų7678.7 Ų78.736%0.35540%0.395SS..Hα-helixtrans-55.4-38.3174.6-72.8169.3-161.200111.8R739 Q747 Q800R739-E743 WeakPolarHBondContact O-CB 3.47Å; R739-E743 WeakPolarHBondContact O-CG 3.29Å; R739-E743 PolarHBondContact O-N 3.38Å; E743-Q747 WeakPolarHBondContact O-CB 3.38Å; E743-Q747 WeakPolarHBondContact O-CG 3.26Å; E743-Q747 PolarHBondContact O-N 3.44Å; E743-Q800 PolarHBondContact OE1-NE2 3.23Å
744L85.7Confident78.4Confident91 Ų9184 Ų8448%0.47642%0.422SS..Hα-helixtrans-74.6-25.6175.1-75.6171.1000113.6L740 A741 N742 Q748L740-L744 VanDerWaalsContact O-CB 3.27Å; L740-L744 WeakPolarHBondContact O-CB 3.04Å; L740-L744 WeakPolarHBondContact O-CD1 3.29Å; L740-L744 WeakPolarHBondContact O-CG 3.24Å; L740-L744 PolarHBondContact O-N 2.88Å; A741-L744 PolarHBondContact O-N 2.93Å; N742-L744 PolarHBondContact O-N 2.9Å; L744-Q748 WeakPolarHBondContact O-CB 3.19Å; L744-Q748 VanDerWaalsContact O-CG 3.27Å; L744-Q748 WeakPolarHBondContact O-CG 3.21Å; L744-Q748 PolarHBondContact O-N 3.24Å; L744-Q748 PolarHBondContact O-NE2 3.19Å
745A81.3Confident77.8Confident50 Ų5088.9 Ų88.941%0.41344%0.443SS..Hα-helixtrans-77.9-46.7174.900000110.9A741 N742 Q747 Q748 E749A741-A745 WeakPolarHBondContact O-CB 3.36Å; A741-A745 PolarHBondContact O-N 3.24Å; N742-A745 CarbonylContact O-C 3.14Å; N742-A745 WeakPolarHBondContact O-CA 3.3Å; N742-A745 WeakPolarHBondContact O-CB 3.43Å; N742-A745 PolarHBondContact O-N 2.96Å; A745-Q747 PolarHBondContact O-N 3.39Å; A745-Q748 CarbonylContact O-C 3.6Å; A745-Q748 WeakPolarHBondContact O-CA 3.07Å; A745-Q748 WeakPolarHBondContact O-CB 3.45Å; A745-Q748 PolarHBondContact O-N 3.16Å; A745-E749 PolarHBondContact O-N 2.99Å
746E79Confident76.8Confident115 Ų11590.2 Ų90.254%0.53746%0.455SS..Hα-helixtrans-56.2-49.4171.4-69.7162.7-161.900110.3N742 Q748 E749 D750N742-E746 WeakPolarHBondContact O-CG 3.48Å; N742-E746 PolarHBondContact O-N 3.38Å; E746-Q748 PolarHBondContact O-N 2.95Å; E746-Q748 VanDerWaalsContact O-N 3.09Å; E746-E749 PolarHBondContact O-N 3.34Å; E746-D750 WeakPolarHBondContact O-CB 3.46Å; E746-D750 PolarHBondContact O-N 3.45Å
747Q77.6Confident75.9Confident68 Ų6892.2 Ų92.232%0.31847%0.469SS..Hα-helixtrans-64.8-11.4173.5-76-179.544.500114.8E743 A745 K751E743-Q747 WeakPolarHBondContact O-CB 3.38Å; E743-Q747 WeakPolarHBondContact O-CG 3.26Å; E743-Q747 PolarHBondContact O-N 3.44Å; A745-Q747 PolarHBondContact O-N 3.39Å; Q747-K751 VanDerWaalsContact O-CD 3.32Å; Q747-K751 WeakPolarHBondContact O-CD 3.48Å; Q747-K751 WeakPolarHBondContact O-CG 3.32Å; Q747-K751 PolarHBondContact O-NZ 3.01Å
748Q76.9Confident74.7Confident126 Ų12696.7 Ų96.759%0.58949%0.493SS*.Hα-helixtrans-92.5-44.6170.2-83.3169.581.800111L744 A745 E746 K751 E752L744-Q748 WeakPolarHBondContact O-CB 3.19Å; L744-Q748 VanDerWaalsContact O-CG 3.27Å; L744-Q748 WeakPolarHBondContact O-CG 3.21Å; L744-Q748 PolarHBondContact O-N 3.24Å; L744-Q748 PolarHBondContact O-NE2 3.19Å; A745-Q748 CarbonylContact O-C 3.6Å; A745-Q748 WeakPolarHBondContact O-CA 3.07Å; A745-Q748 WeakPolarHBondContact O-CB 3.45Å; A745-Q748 PolarHBondContact O-N 3.16Å; E746-Q748 PolarHBondContact O-N 2.95Å; E746-Q748 VanDerWaalsContact O-N 3.09Å; Q748-K751 CarbonylContact O-C 3.29Å; Q748-K751 WeakPolarHBondContact O-CA 3.42Å; Q748-K751 WeakPolarHBondContact O-CB 3.42Å; Q748-K751 PolarHBondContact O-N 3.45Å; Q748-E752 PolarHBondContact O-N 3.37Å
749E76.1Confident73.2Confident129 Ų12997.5 Ų97.560%0.60350%0.501SS*.Hα-helixtrans-62.5-43.8177.7-166.5157.2-144.200111A745 E746 K751 E752 N753A745-E749 PolarHBondContact O-N 2.99Å; E746-E749 PolarHBondContact O-N 3.34Å; E749-K751 VanDerWaalsContact C-N 3.27Å; E749-K751 PolarHBondContact O-N 2.96Å; E749-E752 PolarHBondContact O-N 3.1Å; E749-N753 WeakPolarHBondContact O-CB 3.29Å; E749-N753 VanDerWaalsContact O-CG 3.26Å; E749-N753 PolarHBondContact O-N 3.28Å; E749-N753 PolarHBondContact O-ND2 3.13Å
750D77.8Confident71.3Confident98 Ų98102.5 Ų102.552%0.52453%0.527SS..Hα-helixtrans-53.2-42.8167.6-83.5-16.3000112.3E746 E752 L754E746-D750 WeakPolarHBondContact O-CB 3.46Å; E746-D750 PolarHBondContact O-N 3.45Å; D750-E752 VanDerWaalsContact C-N 3.3Å; D750-E752 PolarHBondContact O-N 2.79Å; D750-L754 WeakPolarHBondContact O-CB 3.35Å; D750-L754 PolarHBondContact O-N 3.43Å
751K75.5Confident68.8Low110 Ų110105.3 Ų105.348%0.47855%0.549SS..Hα-helixtrans-78.3-8.1180-72.5-176.5-167.877.10113.8Q747 Q748 E749 K755Q747-K751 VanDerWaalsContact O-CD 3.32Å; Q747-K751 WeakPolarHBondContact O-CD 3.48Å; Q747-K751 WeakPolarHBondContact O-CG 3.32Å; Q747-K751 PolarHBondContact O-NZ 3.01Å; Q748-K751 CarbonylContact O-C 3.29Å; Q748-K751 WeakPolarHBondContact O-CA 3.42Å; Q748-K751 WeakPolarHBondContact O-CB 3.42Å; Q748-K751 PolarHBondContact O-N 3.45Å; E749-K751 VanDerWaalsContact C-N 3.27Å; E749-K751 PolarHBondContact O-N 2.96Å; K751-K755 WeakPolarHBondContact O-CD 3.24Å; K751-K755 WeakPolarHBondContact O-CE 3.32Å; K751-K755 VanDerWaalsContact O-CG 3.29Å; K751-K755 WeakPolarHBondContact O-CG 3.36Å; K751-K755 PolarHBondContact O-NZ 2.91Å; K751-K755 VanDerWaalsContact O-NZ 3.1Å
752E70.8Confident66.4Low127 Ų127111.7 Ų111.759%0.59357%0.57SS**Hα-helixtrans-100.6-39.4170.8-65.2-154.1150.700111.1Q748 E749 D750 K755 T756Q748-E752 PolarHBondContact O-N 3.37Å; E749-E752 PolarHBondContact O-N 3.1Å; D750-E752 VanDerWaalsContact C-N 3.3Å; D750-E752 PolarHBondContact O-N 2.79Å; E752-K755 PolarHBondContact O-N 3.16Å; E752-T756 WeakPolarHBondContact O-CB 3.33Å; E752-T756 PolarHBondContact O-N 3.23Å; E752-T756 PolarHBondContact O-OG1 3.48Å
753N74.4Confident63.9Low83 Ų83113.4 Ų113.444%0.44458%0.584SS.*Hα-helixtrans-57.5-51.3170.3-69.1-26.8000110.9E749 K755 T756 D757E749-N753 WeakPolarHBondContact O-CB 3.29Å; E749-N753 VanDerWaalsContact O-CG 3.26Å; E749-N753 PolarHBondContact O-N 3.28Å; E749-N753 PolarHBondContact O-ND2 3.13Å; N753-K755 PolarHBondContact O-N 2.7Å; N753-K755 VanDerWaalsContact O-N 3.13Å; N753-T756 WeakPolarHBondContact O-CA 3.32Å; N753-T756 WeakPolarHBondContact O-CB 3.02Å; N753-T756 PolarHBondContact O-N 3.41Å; N753-D757 PolarHBondContact O-N 3.4Å
754L68.7Low61.4Low116 Ų116117.6 Ų117.661%0.60761%0.607SS**Hα-helixtrans-59.4-28.7177.8-164.276.9000113.3D750 L758D750-L754 WeakPolarHBondContact O-CB 3.35Å; D750-L754 PolarHBondContact O-N 3.43Å; L754-L758 WeakPolarHBondContact O-CD1 3.09Å; L754-L758 WeakPolarHBondContact O-CG 3.43Å
755K65.1Low58.9Low124 Ų124121.2 Ų121.254%0.53962%0.621SS.*Hα-helixtrans-79.8-25.9173.2-70.2172.5-166.7142.50113K751 E752 N753 N759K751-K755 WeakPolarHBondContact O-CD 3.24Å; K751-K755 WeakPolarHBondContact O-CE 3.32Å; K751-K755 VanDerWaalsContact O-CG 3.29Å; K751-K755 WeakPolarHBondContact O-CG 3.36Å; K751-K755 PolarHBondContact O-NZ 2.91Å; K751-K755 VanDerWaalsContact O-NZ 3.1Å; E752-K755 PolarHBondContact O-N 3.16Å; N753-K755 PolarHBondContact O-N 2.7Å; N753-K755 VanDerWaalsContact O-N 3.13Å; K755-N759 PolarHBondContact O-ND2 2.85Å
756T56.5Low56.5Low86 Ų86125.7 Ų125.753%0.52864%0.637SS.*Hα-helixtrans-80.1-41.4-176.8-55.80000110.5E752 N753 L758 N759E752-T756 WeakPolarHBondContact O-CB 3.33Å; E752-T756 PolarHBondContact O-N 3.23Å; E752-T756 PolarHBondContact O-OG1 3.48Å; N753-T756 WeakPolarHBondContact O-CA 3.32Å; N753-T756 WeakPolarHBondContact O-CB 3.02Å; N753-T756 PolarHBondContact O-N 3.41Å; T756-L758 VanDerWaalsContact C-N 3.29Å; T756-L758 PolarHBondContact O-N 3.47Å; T756-N759 PolarHBondContact O-N 3.33Å
757D58.3Low54.4Low117 Ų117126.5 Ų126.563%0.62665%0.645SS**Hα-helixtrans-63.4-34.9174.3-65.7-28.3000112.3N753 N759N753-D757 PolarHBondContact O-N 3.4Å; D757-N759 PolarHBondContact O-N 3.35Å
758L53.5Low52.4Low143 Ų143130.1 Ų130.175%0.74966%0.662SS**THydrogen-bonded Turntrans-67.11.6175.7-85171000115.3L754 T756L754-L758 WeakPolarHBondContact O-CD1 3.09Å; L754-L758 WeakPolarHBondContact O-CG 3.43Å; T756-L758 VanDerWaalsContact C-N 3.29Å; T756-L758 PolarHBondContact O-N 3.47Å
759N47.1Very low50.4Low128 Ų128132 Ų13268%0.68467%0.674SS**THydrogen-bonded Turntrans-123.811.8-173.2-82.9-81.5000115.6K755 T756 D757 P761K755-N759 PolarHBondContact O-ND2 2.85Å; T756-N759 PolarHBondContact O-N 3.33Å; D757-N759 PolarHBondContact O-N 3.35Å; N759-P761 WeakPolarHBondContact O-CD 3.36Å
760Q40.1Very low48.2Very low153 Ų153130.3 Ų130.372%0.71567%0.669SS**  trans-95.8117.9171.5-65.5-164.237.300112.1
761P31.6Very low45.9Very low125 Ų125135.5 Ų135.581%0.81269%0.691SS**  trans-91.3106177.233.5-30.8000111.3N759N759-P761 WeakPolarHBondContact O-CD 3.36Å
762Q33.1Very low43.5Very low187 Ų187136.9 Ų136.987%0.87469%0.693SS**  trans-132.1150.1162.6-72.9-162-14.800111.8
763T29.4Very low41.5Very low130 Ų130140.9 Ų140.980%0.79871%0.708SS**  trans-91.3143.5-169.148.70000112.6
764I30Very low39.4Very low164 Ų164147.5 Ų147.584%0.84173%0.729SS**  -171.4164.9124.5-96.4154.1000109.4
765E33.2Very low37.5Very low166 Ų166146.9 Ų146.978%0.77673%0.734SS**  trans-81.5136.3-154.9-64.7153.5127.800115.8
766I31.4Very low35.9Very low144 Ų144144.9 Ų144.974%0.73875%0.749SS**  trans32.796.9130-46174.7000116.6
767N35.8Very low34.6Very low133 Ų133149.4 Ų149.471%0.71176%0.761SS**  -173.1142.9113.1-97.9-46.3000113.6I769N767-I769 PolarHBondContact O-N 3.05Å
768Q36Very low33.3Very low143 Ų143150.7 Ų150.767%0.66876%0.764SS**  trans28.982.3154.2-63.6177.7-43.600118.8T1749Q768-T1749 PolarHBondContact NE2-O 2.87Å
769I33.2Very low32.2Very low167 Ų167152.2 Ų152.286%0.85677%0.767SS**  trans-123128.2147-65.5-175.7000109N767N767-I769 PolarHBondContact O-N 3.05Å
770N29.8Very low31.5Very low92 Ų92154.5 Ų154.549%0.49277%0.771SS.*  trans-64.7161.2-174.5-94.2-84.2000114R772N770-R772 HydrophobicContact CB-CB 4.32Å; N770-R772 HydrophobicContact CB-CG 4.06Å; N770-R772 PolarHBondContact O-N 2.72Å
771E31Very low31.1Very low208 Ų208150.2 Ų150.297%0.97277%0.767SS**SBendtrans-6937169.9-57.8-178.6114.500113.5
772R24.6Very low31Very low138 Ų138152.2 Ų152.252%0.52176%0.763SS.*  trans-117.588.3-173.7-64-179.9-158.6-159.32.5111.1N770 Q1751 E1752N770-R772 HydrophobicContact CB-CB 4.32Å; N770-R772 HydrophobicContact CB-CG 4.06Å; N770-R772 PolarHBondContact O-N 2.72Å; R772-Q1751 PolarHBondContact NH2-O 2.88Å; R772-E1752 PolarHBondContact NH2-O 3.47Å
773K29.2Very low31.3Very low211 Ų211148.8 Ų148.892%0.91776%0.76SS**  trans-134.726156.1-131.9168.5-171.9173.20114.5
774Y29.2Very low31.8Very low223 Ų223149.1 Ų149.188%0.87576%0.756SS**SBendtrans-108.4130.6139.6-120-100.4000105.6
775S29.9Very low31.8Very low102 Ų102148.4 Ų148.471%0.71376%0.759SS**SBendtrans62.7149.5-163.178.60000114.9
776G30.3Very low31.7Very low83 Ų83144.8 Ų144.886%0.85676%0.757SS**  trans123.8119.5-174.700000111.7
777F29.2Very low31.7Very low180 Ų180146.9 Ų146.979%0.78976%0.764SS**  trans-103.3163.9-162.7-165.5-132000112.5
778E31.1Very low31.4Very low145 Ų145149.9 Ų149.968%0.67878%0.776SS**  trans61.1112.2158.2-87.8170.9172.200123.7
779E31.3Very low31.2Very low174 Ų174146.3 Ų146.381%0.81378%0.778SS**  90147.7124.2-135.4177.2-154.700121.7
780F31.9Very low31.2Very low177 Ų177144.1 Ų144.178%0.77677%0.768SS**  trans52.5116175-112.8-100.5000118
781G32.4Very low31.3Very low62 Ų62149.3 Ų149.364%0.63979%0.786SS**  cis152.9156.5-3.700000112.3
782K29Very low31.4Very low167 Ų167145.6 Ų145.673%0.72676%0.764SS**  trans69.349.6163-58178.4-178.3176.20119I784K782-I784 HydrophobicContact CB-CD1 4.43Å; K782-I784 HydrophobicContact CG-CD1 4.46Å
783S38.8Very low31.5Very low116 Ų116142.8 Ų142.881%0.81177%0.765SS**  trans-167.867.1141.441.80000110
784I41.4Very low31.4Very low137 Ų137138.8 Ų138.870%0.70375%0.754SS**  51.481.468.5-50.3175.5000111.9K782K782-I784 HydrophobicContact CB-CD1 4.43Å; K782-I784 HydrophobicContact CG-CD1 4.46Å
785T29.3Very low31.4Very low148 Ų148131.8 Ų131.891%0.90873%0.731SS**SBendtrans-178.1-28.2135.720.50000114.4
786A30.7Very low31.4Very low90 Ų90131.8 Ų131.874%0.74472%0.716SS**SBendtrans-116.2-18.3-162.100000118.8
787Q32.1Very low31.6Very low188 Ų188129.8 Ų129.888%0.87969%0.689SS**  trans-129.862.4-165.9-68.4-173.2-7.900115.5
788M29.2Very low31.8Very low196 Ų196127.7 Ų127.797%0.96669%0.691SS**SBendtrans-121.42.2156.5-96.3-163.5-74.500113.7N790M788-N790 PolarHBondContact O-N 3.49Å
789G31.4Very low32.1Very low68 Ų68122.8 Ų122.870%0.70167%0.669SS**  trans-9452.3-176.900000115.2
790N33.6Very low32.3Very low121 Ų121116 Ų11665%0.64764%0.637SS**  trans-164.2117.9163.8-113.8-55.1000114M788 Y792M788-N790 PolarHBondContact O-N 3.49Å; N790-Y792 VanDerWaalsContact OD1-CD2 3.23Å; N790-Y792 WeakPolarHBondContact OD1-CD2 3.33Å; N790-Y792 WeakPolarHBondContact OD1-CE2 3.37Å
791K32.2Very low32.5Very low202 Ų202112.6 Ų112.688%0.87862%0.622SS**  trans-14673.7167.2-160.7174.6-175.9179.80111.5
792Y32.7Very low32.7Very low129 Ų129112.6 Ų112.651%0.50661%0.605SS.*  trans-54.2145.8165.9-86.9-135.6000110.7N790 N1919N790-Y792 VanDerWaalsContact OD1-CD2 3.23Å; N790-Y792 WeakPolarHBondContact OD1-CD2 3.33Å; N790-Y792 WeakPolarHBondContact OD1-CE2 3.37Å; Y792-N1919 WeakPolarHBondContact CE1-ND2 3.37Å
793C26.7Very low32.9Very low80 Ų80109 Ų10954%0.54159%0.591SS.*  cis-133.2128.9-0.8-70.60000109.6
794D26.6Very low32.6Very low127 Ų127107.9 Ų107.968%0.67958%0.579SS**  trans-172.4161.5153.4-108.6-32.7000111.9A1917D794-A1917 PolarHBondContact O-N 3.08Å; D794-A1917 VanDerWaalsContact O-N 3.08Å
795N30.7Very low32.4Very low75 Ų75107 Ų10740%0.40158%0.575SS.*  trans71.4129.9178.3-46.9-85.2000116.6C1916 A1917 Y1918N795-C1916 VanDerWaalsContact CB-N 3.35Å; N795-A1917 CarbonylContact O-C 3.41Å; N795-A1917 WeakPolarHBondContact O-CA 3.48Å; N795-A1917 PolarHBondContact O-N 3.02Å; N795-Y1918 PolarHBondContact O-N 3.35Å
796Y28.9Very low32.8Very low103 Ų103103.7 Ų103.740%0.40455%0.551SS.*  trans-72.9163.9158.5-112-115.5000112.1C1916 Y1918 N1919 T1920Y796-C1916 PolarHBondContact O-SG 3.04Å; Y796-C1916 VanDerWaalsContact O-SG 3.34Å; Y796-Y1918 VanDerWaalsContact CB-CG 3.48Å; Y796-Y1918 AromaticContact CD1-CD1 2.13Å; Y796-Y1918 HydrophobicContact CD1-CD1 2.13Å; Y796-Y1918 AromaticContact CD1-CD2 2.3Å; Y796-Y1918 HydrophobicContact CD1-CD2 2.3Å; Y796-Y1918 AromaticContact CD1-CE1 2.32Å; Y796-Y1918 HydrophobicContact CD1-CE1 2.32Å; Y796-Y1918 AromaticContact CD1-CE2 2.34Å; Y796-Y1918 HydrophobicContact CD1-CE2 2.34Å; Y796-Y1918 AromaticContact CD1-CG 2.13Å; Y796-Y1918 HydrophobicContact CD1-CG 2.13Å; Y796-Y1918 AromaticContact CD1-CZ 2.35Å; Y796-Y1918 AromaticContact CD2-CD1 2.3Å; Y796-Y1918 HydrophobicContact CD2-CD1 2.3Å; Y796-Y1918 AromaticContact CD2-CD2 3.39Å; Y796-Y1918 HydrophobicContact CD2-CD2 3.39Å; Y796-Y1918 AromaticContact CD2-CE1 3.36Å; Y796-Y1918 HydrophobicContact CD2-CE1 3.36Å; Y796-Y1918 HydrophobicContact CD2-CE2 4.01Å; Y796-Y1918 AromaticContact CD2-CG 2.32Å; Y796-Y1918 HydrophobicContact CD2-CG 2.32Å; Y796-Y1918 AromaticContact CD2-CZ 3.99Å; Y796-Y1918 AromaticContact CE1-CD1 2.32Å; Y796-Y1918 HydrophobicContact CE1-CD1 2.32Å; Y796-Y1918 AromaticContact CE1-CD2 3.35Å; Y796-Y1918 HydrophobicContact CE1-CD2 3.35Å; Y796-Y1918 AromaticContact CE1-CE1 3.36Å; Y796-Y1918 HydrophobicContact CE1-CE1 3.36Å; Y796-Y1918 AromaticContact CE1-CE2 3.96Å; Y796-Y1918 HydrophobicContact CE1-CE2 3.96Å; Y796-Y1918 AromaticContact CE1-CG 2.33Å; Y796-Y1918 HydrophobicContact CE1-CG 2.33Å; Y796-Y1918 AromaticContact CE1-CZ 3.96Å; Y796-Y1918 AromaticContact CE2-CD1 2.34Å; Y796-Y1918 HydrophobicContact CE2-CD1 2.34Å; Y796-Y1918 AromaticContact CE2-CD2 4Å; Y796-Y1918 HydrophobicContact CE2-CD2 4Å; Y796-Y1918 AromaticContact CE2-CE1 3.96Å; Y796-Y1918 HydrophobicContact CE2-CE1 3.96Å; Y796-Y1918 AromaticContact CE2-CG 2.38Å; Y796-Y1918 HydrophobicContact CE2-CG 2.38Å; Y796-Y1918 AromaticContact CG-CD1 2.13Å; Y796-Y1918 HydrophobicContact CG-CD1 2.13Å; Y796-Y1918 AromaticContact CG-CD2 2.32Å; Y796-Y1918 HydrophobicContact CG-CD2 2.32Å; Y796-Y1918 AromaticContact CG-CE1 2.33Å; Y796-Y1918 HydrophobicContact CG-CE1 2.33Å; Y796-Y1918 AromaticContact CG-CE2 2.38Å; Y796-Y1918 HydrophobicContact CG-CE2 2.38Å; Y796-Y1918 AromaticContact CG-CG 2.13Å; Y796-Y1918 HydrophobicContact CG-CG 2.13Å; Y796-Y1918 AromaticContact CG-CZ 2.38Å; Y796-Y1918 AromaticContact CZ-CD1 2.35Å; Y796-Y1918 AromaticContact CZ-CD2 3.99Å; Y796-Y1918 AromaticContact CZ-CE1 3.96Å; Y796-Y1918 AromaticContact CZ-CG 2.38Å; Y796-N1919 VanDerWaalsContact CE2-N 3.31Å; Y796-T1920 PolarHBondContact OH-N 3.36Å; Y796-T1920 PolarHBondContact OH-OG1 3.33Å
797S33.6Very low32.9Very low41 Ų41107.1 Ų107.129%0.28755%0.552SS.*  trans-143.265.2-159.360.60000112.9M799 C1916 Y1918S797-M799 PolarHBondContact O-N 2.99Å; S797-C1916 WeakPolarHBondContact CA-SG 3.25Å; S797-C1916 VanDerWaalsContact CB-SG 3.55Å; S797-Y1918 WeakPolarHBondContact OG-CD2 3.41Å
798T33.3Very low33Very low136 Ų136105.7 Ų105.783%0.83455%0.549SS*.  trans-75.346.6161.6-37.10000109.9
799M37.5Very low33.1Very low42 Ų4296.8 Ų96.821%0.20751%0.508CS..  trans-128.693.1-168.9173.7-144.514100108.7S797 F802 Q803 K1915 C1916S797-M799 PolarHBondContact O-N 2.99Å; M799-F802 HydrophobicContact CE-CB 4.44Å; M799-F802 HydrophobicContact CE-CD1 4.19Å; M799-F802 HydrophobicContact CG-CB 3.79Å; M799-F802 HydrophobicContact CG-CD1 4.31Å; M799-F802 HydrophobicContact CG-CG 4.29Å; M799-Q803 VanDerWaalsContact CE-OE1 3.29Å; M799-K1915 HydrophobicContact CG-CD 3.82Å; M799-K1915 HydrophobicContact CG-CG 4.38Å; M799-K1915 HydrophobicContact SD-CB 3.63Å; M799-K1915 HydrophobicContact SD-CD 3.73Å; M799-K1915 HydrophobicContact SD-CG 3.99Å; M799-C1916 HydrophobicContact CB-CB 4.4Å; M799-C1916 WeakPolarHBondContact CB-SG 3.28Å; M799-C1916 HydrophobicContact SD-CB 3.81Å
800Q35.5Very low33.1Very low30 Ų30103 Ų10314%0.1451%0.51CS..SBendtrans-144.4-31.5175.8-94.1178-4.600111.7R739 E743 F802 Q803R739-Q800 HydrophobicContact CB-CG 4.09Å; R739-Q800 VanDerWaalsContact CB-NE2 3.33Å; R739-Q800 VanDerWaalsContact CD-CB 3.47Å; R739-Q800 PolarHBondContact NE-O 2.95Å; R739-Q800 VanDerWaalsContact NH1-C 3.26Å; R739-Q800 PolarHBondContact NH1-O 2.84Å; R739-Q800 PolarHBondContact NH2-O 3.22Å; E743-Q800 PolarHBondContact OE1-NE2 3.23Å; Q800-F802 PolarHBondContact O-N 3.15Å; Q800-Q803 PolarHBondContact O-N 3Å
801K36.2Very low32.9Very low106 Ų106105.4 Ų105.446%0.46152%0.518SS..THydrogen-bonded Turntrans-66.525161.8-154.4-174.5178.7-174.20113.5E1137K801-E1137 WeakPolarHBondContact CD-OE1 3.47Å; K801-E1137 WeakPolarHBondContact CE-OE1 3.24Å; K801-E1137 IonicContact NZ-OE1 2.7Å; K801-E1137 PolarHBondContact NZ-OE1 3.45Å; K801-E1137 IonicContact NZ-OE2 2.58Å; K801-E1137 PolarHBondContact NZ-OE2 2.67Å
802F36.9Very low32.9Very low63 Ų63101.4 Ų101.428%0.27650%0.502SS..THydrogen-bonded Turntrans-132.6-1-175.4-153.9-103.2000111.8M799 Q800 I806 K1915M799-F802 HydrophobicContact CE-CB 4.44Å; M799-F802 HydrophobicContact CE-CD1 4.19Å; M799-F802 HydrophobicContact CG-CB 3.79Å; M799-F802 HydrophobicContact CG-CD1 4.31Å; M799-F802 HydrophobicContact CG-CG 4.29Å; Q800-F802 PolarHBondContact O-N 3.15Å; F802-I806 VanDerWaalsContact O-CD1 3.26Å; F802-I806 WeakPolarHBondContact O-CD1 3.41Å; F802-I806 WeakPolarHBondContact O-CG1 3.47Å; F802-K1915 HydrophobicContact CD1-CD 4.12Å; F802-K1915 HydrophobicContact CE1-CD 4.02Å; F802-K1915 VanDerWaalsContact CZ-NZ 3.26Å
803Q34.5Very low32.8Very low92 Ų9299.7 Ų99.743%0.4350%0.502SS..THydrogen-bonded Turntrans-99.9-33.3-175-156.170.711.500112.7M799 Q800 D805 I806M799-Q803 VanDerWaalsContact CE-OE1 3.29Å; Q800-Q803 PolarHBondContact O-N 3Å; Q803-D805 VanDerWaalsContact C-N 3.29Å; Q803-D805 PolarHBondContact O-N 3.09Å; Q803-I806 WeakPolarHBondContact O-CB 3.25Å; Q803-I806 PolarHBondContact O-N 2.85Å; Q803-I806 VanDerWaalsContact O-N 3.08Å
804T31.3Very low33Very low91 Ų91100.6 Ų100.656%0.55851%0.505SS*.Hα-helixtrans-65.9-29.5178.912.80000113.3I806T804-I806 VanDerWaalsContact C-N 3.26Å; T804-I806 PolarHBondContact O-N 3.42Å
805D36.7Very low33.2Very low119 Ų11999.9 Ų99.964%0.63650%0.497SS*.Hα-helixtrans-78.3-8.4175-59.8-43.3000113Q803 G809Q803-D805 VanDerWaalsContact C-N 3.29Å; Q803-D805 PolarHBondContact O-N 3.09Å; D805-G809 VanDerWaalsContact O-CA 3.28Å; D805-G809 WeakPolarHBondContact O-CA 3.37Å; D805-G809 PolarHBondContact O-N 3.18Å; D805-G809 VanDerWaalsContact O-N 3.13Å
806I38.7Very low33.2Very low79 Ų7998.9 Ų98.941%0.40550%0.499SS..Hα-helixtrans-86.9-31.1178.8-66.1176.1000111.3F802 Q803 T804 G809F802-I806 VanDerWaalsContact O-CD1 3.26Å; F802-I806 WeakPolarHBondContact O-CD1 3.41Å; F802-I806 WeakPolarHBondContact O-CG1 3.47Å; Q803-I806 WeakPolarHBondContact O-CB 3.25Å; Q803-I806 PolarHBondContact O-N 2.85Å; Q803-I806 VanDerWaalsContact O-N 3.08Å; T804-I806 VanDerWaalsContact C-N 3.26Å; T804-I806 PolarHBondContact O-N 3.42Å; I806-G809 PolarHBondContact O-N 2.96Å
807E32.5Very low33.2Very low162 Ų162100.4 Ų100.476%0.75752%0.515SS*.Hα-helixtrans-93.7-22-176.9-64-166.6126.600114.3
808L33.8Very low33.1Very low157 Ų157101.6 Ų101.682%0.82252%0.516SS*.SBendtrans-85.2-13.6156.7-104.1158.8000112.4R810L808-R810 VanDerWaalsContact C-N 3.25Å; L808-R810 PolarHBondContact O-N 2.93Å
809G32.6Very low32.9Very low9 Ų9103.1 Ų103.19%0.09351%0.513CS..G310 helixtrans-74.3-4.4173.300000114.9D805 I806 E811 Q812 D813D805-G809 VanDerWaalsContact O-CA 3.28Å; D805-G809 WeakPolarHBondContact O-CA 3.37Å; D805-G809 PolarHBondContact O-N 3.18Å; D805-G809 VanDerWaalsContact O-N 3.13Å; I806-G809 PolarHBondContact O-N 2.96Å; G809-E811 VanDerWaalsContact C-N 3.29Å; G809-E811 PolarHBondContact O-N 3.1Å; G809-Q812 CarbonylContact O-C 3.48Å; G809-Q812 VanDerWaalsContact O-CA 3.25Å; G809-Q812 WeakPolarHBondContact O-CA 3.28Å; G809-Q812 VanDerWaalsContact O-CB 3.28Å; G809-Q812 WeakPolarHBondContact O-CB 3.4Å; G809-Q812 PolarHBondContact O-N 2.81Å; G809-D813 PolarHBondContact O-N 3.06Å; G809-D813 VanDerWaalsContact O-N 3.1Å
810R30.5Very low32.4Very low198 Ų198106.8 Ų106.875%0.74754%0.543SS*.G310 helixtrans-75.3-11-173.5-154.8167.2-175.4139.14.6115.2L808L808-R810 VanDerWaalsContact C-N 3.25Å; L808-R810 PolarHBondContact O-N 2.93Å
811E30Very low32.1Very low173 Ų173111.2 Ų111.281%0.80856%0.564SS**G310 helixtrans-84.6-17.9161.1-66.6-162.1138.200112.5G809G809-E811 VanDerWaalsContact C-N 3.29Å; G809-E811 PolarHBondContact O-N 3.1Å
812Q32.1Very low31.8Very low117 Ų117111.9 Ų111.955%0.54758%0.577SS.*THydrogen-bonded Turntrans-87.8-11.5175.6-55.1-173.3-6300113.2G809 T814 Q815 A816G809-Q812 CarbonylContact O-C 3.48Å; G809-Q812 VanDerWaalsContact O-CA 3.25Å; G809-Q812 WeakPolarHBondContact O-CA 3.28Å; G809-Q812 VanDerWaalsContact O-CB 3.28Å; G809-Q812 WeakPolarHBondContact O-CB 3.4Å; G809-Q812 PolarHBondContact O-N 2.81Å; Q812-T814 PolarHBondContact O-N 3Å; Q812-Q815 CarbonylContact O-C 3.6Å; Q812-Q815 VanDerWaalsContact O-CA 3.27Å; Q812-Q815 WeakPolarHBondContact O-CA 3.26Å; Q812-Q815 WeakPolarHBondContact O-CB 3.42Å; Q812-Q815 PolarHBondContact O-N 3.37Å; Q812-A816 PolarHBondContact O-N 3.3Å
813D30.2Very low31.4Very low94 Ų94116.3 Ų116.350%0.50360%0.599SS.*Hα-helixtrans-64.9-15.7169.4-79.4-36.3000113.3G809 Q815G809-D813 PolarHBondContact O-N 3.06Å; G809-D813 VanDerWaalsContact O-N 3.1Å; D813-Q815 VanDerWaalsContact C-N 3.26Å
814T31.1Very low31.2Very low99 Ų99119.2 Ų119.261%0.60761%0.612SS**Hα-helixtrans-80-10.1167.3-49.90000112.2Q812 Q818Q812-T814 PolarHBondContact O-N 3Å; T814-Q818 PolarHBondContact O-NE2 3.24Å
815Q30.6Very low31.3Very low111 Ų111120.2 Ų120.252%0.51961%0.61SS.*Hα-helixtrans-107-26.2176.6-59.3177.1-7.700112Q812 D813 N817 Q818Q812-Q815 CarbonylContact O-C 3.6Å; Q812-Q815 VanDerWaalsContact O-CA 3.27Å; Q812-Q815 WeakPolarHBondContact O-CA 3.26Å; Q812-Q815 WeakPolarHBondContact O-CB 3.42Å; Q812-Q815 PolarHBondContact O-N 3.37Å; D813-Q815 VanDerWaalsContact C-N 3.26Å; Q815-N817 PolarHBondContact O-N 3.05Å; Q815-Q818 WeakPolarHBondContact O-CB 3.42Å; Q815-Q818 WeakPolarHBondContact O-CG 3.47Å; Q815-Q818 PolarHBondContact O-N 3.43Å
816A30.5Very low30.9Very low54 Ų54120 Ų12045%0.44661%0.608SS.*Hα-helixtrans-59.7-26.8176.900000114Q812 Q818Q812-A816 PolarHBondContact O-N 3.3Å; A816-Q818 PolarHBondContact O-N 2.73Å; A816-Q818 VanDerWaalsContact O-N 3.07Å
817N29.8Very low30.5Very low135 Ų135125.4 Ų125.472%0.72263%0.625SS**THydrogen-bonded Turntrans-69.25.5171.4-93-37.4000114.5Q815Q815-N817 PolarHBondContact O-N 3.05Å
818Q31.3Very low31.2Very low67 Ų67120.8 Ų120.831%0.31362%0.621SS.*THydrogen-bonded Turntrans-105.7-24.4-177-53.1-177.725.900113.1T814 Q815 A816 Y919T814-Q818 PolarHBondContact O-NE2 3.24Å; Q815-Q818 WeakPolarHBondContact O-CB 3.42Å; Q815-Q818 WeakPolarHBondContact O-CG 3.47Å; Q815-Q818 PolarHBondContact O-N 3.43Å; A816-Q818 PolarHBondContact O-N 2.73Å; A816-Q818 VanDerWaalsContact O-N 3.07Å; Q818-Y919 HydrophobicContact CG-CE1 3.81Å
819E28.9Very low32.3Very low168 Ų168119.5 Ų119.579%0.78561%0.609SS**G310 helixtrans-92.6-0.4-170.9-60.6-162.4133.500115Q821E819-Q821 VanDerWaalsContact C-N 3.29Å
820S27.5Very low33.6Very low118 Ų118123.7 Ų123.783%0.82563%0.634SS**G310 helixtrans-83.33.9167.7-660000114.1
821Q28.9Very low35.3Very low123 Ų123116.5 Ų116.558%0.57561%0.61SS**G310 helixtrans-87.2-9.5-176.6-63.8-166-4.300114.5E819 Q823 H824E819-Q821 VanDerWaalsContact C-N 3.29Å; Q821-Q823 PolarHBondContact O-N 3.32Å; Q821-H824 PolarHBondContact O-N 2.96Å
822T30.3Very low37.1Very low121 Ų121109.7 Ų109.774%0.74258%0.579SS**THydrogen-bonded Turntrans-79.925.1-171.7-28.70000115.1
823Q27.2Very low38.6Very low156 Ų156108.8 Ų108.873%0.72958%0.583SS**THydrogen-bonded Turntrans-123.7-0165.1-80.1-161.610.900114.9Q821 Q825Q821-Q823 PolarHBondContact O-N 3.32Å; Q823-Q825 PolarHBondContact O-N 3.15Å
824H31.3Very low40.4Very low153 Ų153110.6 Ų110.671%0.70858%0.584SS**  trans-80.759.9169.6-97-77.6000111.9Q821 L826Q821-H824 PolarHBondContact O-N 2.96Å; H824-L826 PolarHBondContact O-N 3.3Å
825Q31.7Very low42Very low111 Ų111109.1 Ų109.152%0.51958%0.577SS.*THydrogen-bonded Turntrans-81.210.3-174.7-128.7176.42100114.6Q823 E2154Q823-Q825 PolarHBondContact O-N 3.15Å; Q825-E2154 PolarHBondContact NE2-O 3.13Å; Q825-E2154 VanDerWaalsContact OE1-N 3.14Å
826L28.7Very low43.8Very low115 Ų115104 Ų10460%0.60255%0.553SS**THydrogen-bonded Turntrans-130.41.4-176.3-145.177.1000115.5H824H824-L826 PolarHBondContact O-N 3.3Å
827Y31.2Very low45.6Very low192 Ų192105.6 Ų105.675%0.75355%0.553SS**SBendtrans-131.7142170.9-76.1-91.2000108.8
828G46.6Very low47.3Very low65 Ų65107 Ų10767%0.6755%0.553SS**PPolyproline II helixtrans-60.4155.8178.700000112
829K56.4Low49.2Very low130 Ų130109.8 Ų109.857%0.56557%0.569SS**PPolyproline II helixtrans-50.3140.2177.6-54-170.2-163.197.20109.9H851 N855K829-H851 PolarHBondContact O-CE1 3.45Å; K829-H851 PolarHBondContact O-NE2 3.41Å; K829-N855 WeakPolarHBondContact CD-OD1 3.43Å; K829-N855 WeakPolarHBondContact CG-OD1 3.4Å; K829-N855 PolarHBondContact NZ-OD1 2.93Å
830P60.2Low51.1Low98 Ų98104 Ų10464%0.63654%0.541SS*.PPolyproline II helixtrans-74.9137.3178.728.9-33.5000111.3L832P830-L832 PolarHBondContact O-N 2.9Å
831M65.7Low53.2Low47 Ų47100 Ų10023%0.23251%0.513CS..PPolyproline II helixtrans-59.8135.5170.4-74.2-176.176.500110.6R847 R848 H851M831-R847 HydrophobicContact CE-CB 4.18Å; M831-R847 HydrophobicContact CE-CG 3.72Å; M831-R848 HydrophobicContact CE-CG 4.04Å; M831-R848 HydrophobicContact SD-CB 4.38Å; M831-R848 HydrophobicContact SD-CG 3.72Å; M831-H851 HydrophobicContact CE-CB 4.19Å; M831-H851 HydrophobicContact CG-CB 3.92Å; M831-H851 VanDerWaalsContact CG-CD2 3.47Å; M831-H851 WeakPolarHBondContact CG-CD2 3.17Å; M831-H851 WeakPolarHBondContact CG-ND1 3.11Å; M831-H851 HydrophobicContact SD-CB 4.15Å
832L68.9Low55.1Low29 Ų2996 Ų9615%0.15250%0.499CS..PPolyproline II helixtrans-67.5131.2177.1-67.594.7000110.7P830 Y834 R847 L912 Y919P830-L832 PolarHBondContact O-N 2.9Å; L832-Y834 HydrophobicContact CB-CD2 4.44Å; L832-Y834 PolarHBondContact O-N 2.99Å; L832-R847 PolarHBondContact O-NH2 3.36Å; L832-R847 VanDerWaalsContact O-NH2 3.17Å; L832-L912 HydrophobicContact CD1-CD2 3.76Å; L832-Y919 HydrophobicContact CD2-CD2 3.88Å; L832-Y919 HydrophobicContact CD2-CG 3.93Å
833P63.8Low57.1Low98 Ų9894.4 Ų94.464%0.63649%0.489SS*.SBendtrans-69.3-16.3-172.527.2-35.5000114
834Y68.6Low59.6Low133 Ų13389.3 Ų89.352%0.52247%0.467SS..SBendtrans-73.9140.7177.2-48.2-73.3000111.8L832 R847 H917L832-Y834 HydrophobicContact CB-CD2 4.44Å; L832-Y834 PolarHBondContact O-N 2.99Å; Y834-R847 PolarHBondContact O-NH1 3.46Å; Y834-R847 PolarHBondContact O-NH2 2.9Å; Y834-H917 HydrophobicContact CD2-CB 4.46Å
835S64.5Low62Low68 Ų6886.9 Ų86.948%0.47646%0.464SS..PPolyproline II helixtrans-67.1130.9174-59.30000112F840S835-F840 WeakPolarHBondContact CA-O 3.09Å
836S68.6Low64.4Low2 Ų285.2 Ų85.21%0.01446%0.462CS..BIsolated β-bridgetrans-88.5144176.254.60000111.5F838 I839 F840 R847 I910S836-F838 PolarHBondContact O-N 3.35Å; S836-I839 PolarHBondContact O-N 2.89Å; S836-F840 PolarHBondContact N-O 3.37Å; S836-F840 PolarHBondContact O-N 3.01Å; S836-F840 WeakPolarHBondContact OG-CB 3.2Å; S836-R847 WeakPolarHBondContact OG-CD 3.33Å; S836-R847 PolarHBondContact OG-NE 3.33Å; S836-I910 VanDerWaalsContact CB-O 3.28Å; S836-I910 WeakPolarHBondContact CB-O 3.12Å; S836-I910 PolarHBondContact OG-O 3.5Å
837M68Low67Low89 Ų8979.7 Ų79.744%0.43843%0.433SS..THydrogen-bonded Turntrans50.823.3-176.5-55.8-177.569.800115.2I839 F840 V914M837-I839 PolarHBondContact O-N 2.83Å; M837-F840 HydrophobicContact CB-CD2 4.3Å; M837-F840 HydrophobicContact SD-CE2 4.33Å; M837-V914 HydrophobicContact CG-CG2 4.38Å
838F65.1Low69.4Low163 Ų16377.2 Ų77.272%0.71542%0.422SS*.THydrogen-bonded Turntrans58.5-15.5-168.8-59.2-81.5000116.6S836 L916S836-F838 PolarHBondContact O-N 3.35Å; F838-L916 HydrophobicContact CE1-CD2 3.96Å; F838-L916 HydrophobicContact CE2-CD1 3.82Å; F838-L916 HydrophobicContact CE2-CD2 4.44Å; F838-L916 HydrophobicContact CZ-CD1 3.7Å; F838-L916 HydrophobicContact CZ-CD2 3.5Å; F838-L916 VanDerWaalsContact CZ-CD2 3.5Å; F838-L916 HydrophobicContact CZ-CG 4.25Å
839I70.7Confident71.3Confident126 Ų12680.4 Ų80.465%0.64642%0.418SS*.THydrogen-bonded Turntrans-98.7-29.2-174.5-63.2162.8000111.9S836 M837 N844S836-I839 PolarHBondContact O-N 2.89Å; M837-I839 PolarHBondContact O-N 2.83Å; I839-N844 PolarHBondContact O-ND2 3.24Å
840F69.5Low72.7Confident46 Ų4674.5 Ų74.520%0.20239%0.393CS..BIsolated β-bridgetrans-104.388.5-171.7-62-68.9000112.8S835 S836 M837 V846 R847 I910S835-F840 WeakPolarHBondContact CA-O 3.09Å; S836-F840 PolarHBondContact N-O 3.37Å; S836-F840 PolarHBondContact O-N 3.01Å; S836-F840 WeakPolarHBondContact OG-CB 3.2Å; M837-F840 HydrophobicContact CB-CD2 4.3Å; M837-F840 HydrophobicContact SD-CE2 4.33Å; F840-V846 HydrophobicContact CE1-CB 4.37Å; F840-V846 HydrophobicContact CE1-CG1 4.22Å; F840-R847 HydrophobicContact CB-CB 4.37Å; F840-R847 PolarHBondContact O-NH1 3.04Å; F840-I910 HydrophobicContact CD2-CG2 4.4Å
841S71.3Confident73.9Confident35 Ų3571 Ų7125%0.24537%0.368CS..  trans-54152.4166.7178.30000111.9T843 N844S841-T843 WeakPolarHBondContact CB-OG1 3.21Å; S841-T843 PolarHBondContact O-N 3.39Å; S841-T843 VanDerWaalsContact O-N 3.17Å; S841-T843 PolarHBondContact OG-N 3Å; S841-T843 PolarHBondContact OG-OG1 2.84Å; S841-N844 PolarHBondContact N-ND2 3.17Å; S841-N844 WeakPolarHBondContact O-CB 3.3Å; S841-N844 PolarHBondContact O-N 3.35Å
842S69Low74.8Confident39 Ų3975 Ų7527%0.27338%0.384SS..THydrogen-bonded Turntrans-61.8-15.3170.655.30000113.6R848S842-R848 PolarHBondContact O-NE 3.36Å
843T72.5Confident75.6Confident87 Ų8775 Ų7553%0.53439%0.385SS..THydrogen-bonded Turntrans-83.3-18.3171.352.90000114.3S841S841-T843 WeakPolarHBondContact CB-OG1 3.21Å; S841-T843 PolarHBondContact O-N 3.39Å; S841-T843 VanDerWaalsContact O-N 3.17Å; S841-T843 PolarHBondContact OG-N 3Å; S841-T843 PolarHBondContact OG-OG1 2.84Å
844N78.4Confident76.6Confident50 Ų5071.1 Ų71.127%0.26736%0.36SS..  trans-70.2133.7-170.1-76.4-0.6000112.1I839 S841 V846 R847 R848I839-N844 PolarHBondContact O-ND2 3.24Å; S841-N844 PolarHBondContact N-ND2 3.17Å; S841-N844 WeakPolarHBondContact O-CB 3.3Å; S841-N844 PolarHBondContact O-N 3.35Å; N844-V846 VanDerWaalsContact C-N 3.31Å; N844-V846 PolarHBondContact O-N 3.4Å; N844-R847 PolarHBondContact O-N 3.42Å; N844-R847 VanDerWaalsContact O-N 3.15Å; N844-R848 PolarHBondContact O-N 2.84Å; N844-R848 VanDerWaalsContact O-N 3.11Å
845P82.9Confident77.3Confident101 Ų10166.9 Ų66.966%0.65635%0.346SS*.Hα-helixtrans-63.2-36.4-175.424.6-33.9000112.4R847 R848 F849P845-R847 VanDerWaalsContact C-N 3.35Å; P845-R847 PolarHBondContact O-N 2.85Å; P845-R848 PolarHBondContact O-N 3.35Å; P845-F849 WeakPolarHBondContact O-CB 3.19Å; P845-F849 PolarHBondContact O-N 3.15Å
846V81.4Confident78.2Confident76 Ų7667.1 Ų67.146%0.46134%0.342SS..Hα-helixtrans-57.2-46.6175.5-179.60000111.3F840 N844 F849 C850F840-V846 HydrophobicContact CE1-CB 4.37Å; F840-V846 HydrophobicContact CE1-CG1 4.22Å; N844-V846 VanDerWaalsContact C-N 3.31Å; N844-V846 PolarHBondContact O-N 3.4Å; V846-F849 WeakPolarHBondContact O-CB 3.18Å; V846-F849 PolarHBondContact O-N 3.48Å; V846-C850 PolarHBondContact O-N 2.83Å; V846-C850 PolarHBondContact O-SG 2.76Å
847R83.1Confident78.7Confident0 Ų076.2 Ų76.20%038%0.376CS..Hα-helixtrans-71.6-39.7-178.3-166.5-177.6172.6-159.4-3112M831 L832 Y834 S836 F840 N844 P845 F849 C850 H851 I910 D911M831-R847 HydrophobicContact CE-CB 4.18Å; M831-R847 HydrophobicContact CE-CG 3.72Å; L832-R847 PolarHBondContact O-NH2 3.36Å; L832-R847 VanDerWaalsContact O-NH2 3.17Å; Y834-R847 PolarHBondContact O-NH1 3.46Å; Y834-R847 PolarHBondContact O-NH2 2.9Å; S836-R847 WeakPolarHBondContact OG-CD 3.33Å; S836-R847 PolarHBondContact OG-NE 3.33Å; F840-R847 HydrophobicContact CB-CB 4.37Å; F840-R847 PolarHBondContact O-NH1 3.04Å; N844-R847 PolarHBondContact O-N 3.42Å; N844-R847 VanDerWaalsContact O-N 3.15Å; P845-R847 VanDerWaalsContact C-N 3.35Å; P845-R847 PolarHBondContact O-N 2.85Å; R847-F849 VanDerWaalsContact C-N 3.28Å; R847-F849 PolarHBondContact O-N 3.18Å; R847-C850 PolarHBondContact O-N 2.86Å; R847-H851 WeakPolarHBondContact O-CB 3.16Å; R847-H851 PolarHBondContact O-N 3.37Å; R847-I910 HydrophobicContact CB-CG2 4.46Å; R847-I910 HydrophobicContact CG-CG2 4.34Å; R847-D911 VanDerWaalsContact CZ-O 3.31Å; R847-D911 PolarHBondContact NE-O 3.33Å; R847-D911 PolarHBondContact NH2-O 3.27Å
848R81.6Confident79.5Confident139 Ų13980.1 Ų80.153%0.52539%0.387SS..Hα-helixtrans-59.1-39.6172.1-71177.3173.2-160.9-4.3111.8M831 S842 N844 P845 F852M831-R848 HydrophobicContact CE-CG 4.04Å; M831-R848 HydrophobicContact SD-CB 4.38Å; M831-R848 HydrophobicContact SD-CG 3.72Å; S842-R848 PolarHBondContact O-NE 3.36Å; N844-R848 PolarHBondContact O-N 2.84Å; N844-R848 VanDerWaalsContact O-N 3.11Å; P845-R848 PolarHBondContact O-N 3.35Å; R848-F852 VanDerWaalsContact O-CB 3.31Å; R848-F852 WeakPolarHBondContact O-CB 3.32Å; R848-F852 PolarHBondContact O-N 3.14Å
849F86Confident80.5Confident132 Ų13273.5 Ų73.558%0.57936%0.358SS*.Hα-helixtrans-66.6-46.8174.3179.8-98.9000112.3P845 V846 R847 H851 F852 V853P845-F849 WeakPolarHBondContact O-CB 3.19Å; P845-F849 PolarHBondContact O-N 3.15Å; V846-F849 WeakPolarHBondContact O-CB 3.18Å; V846-F849 PolarHBondContact O-N 3.48Å; R847-F849 VanDerWaalsContact C-N 3.28Å; R847-F849 PolarHBondContact O-N 3.18Å; F849-H851 PolarHBondContact O-N 3.07Å; F849-F852 WeakPolarHBondContact O-CB 3.46Å; F849-F852 PolarHBondContact O-N 3.27Å; F849-V853 HydrophobicContact CD1-CG2 4.36Å; F849-V853 HydrophobicContact CE1-CG2 3.98Å; F849-V853 HydrophobicContact CE2-CG2 4.21Å; F849-V853 HydrophobicContact CZ-CG2 3.9Å; F849-V853 WeakPolarHBondContact O-CG2 3.32Å; F849-V853 PolarHBondContact O-N 3.37Å
850C86.9Confident80.8Confident6 Ų671.3 Ų71.34%0.04135%0.347CS..Hα-helixtrans-58.6-47.6175.3-64.60000112V846 R847 F852 V853 V854 L907 I910V846-C850 PolarHBondContact O-N 2.83Å; V846-C850 PolarHBondContact O-SG 2.76Å; R847-C850 PolarHBondContact O-N 2.86Å; C850-F852 VanDerWaalsContact C-N 3.34Å; C850-F852 PolarHBondContact O-N 3.37Å; C850-V853 PolarHBondContact O-N 3.27Å; C850-V854 WeakPolarHBondContact O-CB 3.32Å; C850-V854 WeakPolarHBondContact O-CG2 3.37Å; C850-V854 PolarHBondContact O-N 2.98Å; C850-L907 HydrophobicContact CB-CD2 4.07Å; C850-I910 HydrophobicContact CB-CB 4.46Å; C850-I910 HydrophobicContact CB-CG2 4.11Å
851H84.4Confident81.4Confident26 Ų2673.2 Ų73.212%0.1236%0.36CS..Hα-helixtrans-60.7-40.1176.2178.5-94.5000112.8K829 M831 R847 F849 N855 D911K829-H851 PolarHBondContact O-CE1 3.45Å; K829-H851 PolarHBondContact O-NE2 3.41Å; M831-H851 HydrophobicContact CE-CB 4.19Å; M831-H851 HydrophobicContact CG-CB 3.92Å; M831-H851 VanDerWaalsContact CG-CD2 3.47Å; M831-H851 WeakPolarHBondContact CG-CD2 3.17Å; M831-H851 WeakPolarHBondContact CG-ND1 3.11Å; M831-H851 HydrophobicContact SD-CB 4.15Å; R847-H851 WeakPolarHBondContact O-CB 3.16Å; R847-H851 PolarHBondContact O-N 3.37Å; F849-H851 PolarHBondContact O-N 3.07Å; H851-N855 PolarHBondContact CD2-ND2 3.4Å; H851-N855 PolarHBondContact CE1-ND2 2.85Å; H851-N855 PolarHBondContact NE2-ND2 2.79Å; H851-N855 VanDerWaalsContact NE2-ND2 3.18Å; H851-N855 WeakPolarHBondContact O-CB 3.35Å; H851-N855 PolarHBondContact O-N 2.94Å; H851-N855 PolarHBondContact O-ND2 2.82Å; H851-D911 WeakPolarHBondContact CB-OD1 3.4Å; H851-D911 IonicContact CD2-OD1 2.88Å; H851-D911 PolarHBondContact CD2-OD1 2.91Å; H851-D911 VanDerWaalsContact CD2-OD1 3.24Å; H851-D911 IonicContact CD2-OD2 3.36Å; H851-D911 PolarHBondContact CD2-OD2 3.2Å; H851-D911 IonicContact CG-OD1 2.78Å
852F85.1Confident82.2Confident129 Ų12976.9 Ų76.957%0.56637%0.371SS*.Hα-helixtrans-61.4-50.3174.1172.3-101.5000111.2R848 F849 C850 V854 N855 L856R848-F852 VanDerWaalsContact O-CB 3.31Å; R848-F852 WeakPolarHBondContact O-CB 3.32Å; R848-F852 PolarHBondContact O-N 3.14Å; F849-F852 WeakPolarHBondContact O-CB 3.46Å; F849-F852 PolarHBondContact O-N 3.27Å; C850-F852 VanDerWaalsContact C-N 3.34Å; C850-F852 PolarHBondContact O-N 3.37Å; F852-V854 PolarHBondContact O-N 2.87Å; F852-N855 PolarHBondContact O-N 3.21Å; F852-L856 HydrophobicContact CE1-CD2 4.07Å; F852-L856 HydrophobicContact CE2-CD2 4.24Å; F852-L856 HydrophobicContact CZ-CD2 3.85Å; F852-L856 PolarHBondContact O-N 2.69Å
853V86.9Confident83Confident29 Ų2975.2 Ų75.218%0.17636%0.359CS..Hα-helixtrans-60.3-46.2179.7171.60000111.9F849 C850 N855 L856 F859 L907F849-V853 HydrophobicContact CD1-CG2 4.36Å; F849-V853 HydrophobicContact CE1-CG2 3.98Å; F849-V853 HydrophobicContact CE2-CG2 4.21Å; F849-V853 HydrophobicContact CZ-CG2 3.9Å; F849-V853 WeakPolarHBondContact O-CG2 3.32Å; F849-V853 PolarHBondContact O-N 3.37Å; C850-V853 PolarHBondContact O-N 3.27Å; V853-N855 VanDerWaalsContact C-N 3.26Å; V853-N855 PolarHBondContact O-N 2.91Å; V853-L856 PolarHBondContact O-N 3.48Å; V853-F859 HydrophobicContact CG1-CD2 4.12Å; V853-F859 HydrophobicContact CG1-CE2 4.17Å; V853-L907 HydrophobicContact CG1-CD1 3.95Å
854V84.5Confident83.4Confident18 Ų1874.1 Ų74.111%0.10935%0.349CS..Hα-helixtrans-66.6-25.2-179.1171.40000112.6C850 F852 F859 L907C850-V854 WeakPolarHBondContact O-CB 3.32Å; C850-V854 WeakPolarHBondContact O-CG2 3.37Å; C850-V854 PolarHBondContact O-N 2.98Å; F852-V854 PolarHBondContact O-N 2.87Å; V854-F859 HydrophobicContact CG1-CE1 4.49Å; V854-F859 HydrophobicContact CG2-CE1 4.38Å; V854-F859 HydrophobicContact CG2-CZ 4.32Å; V854-L907 HydrophobicContact CG2-CB 3.81Å
855N83.2Confident83.8Confident43 Ų4376.1 Ų76.123%0.2336%0.358CS..THydrogen-bonded Turntrans-98.37.8178.1-71.8-70.2000114.6K829 H851 F852 V853 R857K829-N855 WeakPolarHBondContact CD-OD1 3.43Å; K829-N855 WeakPolarHBondContact CG-OD1 3.4Å; K829-N855 PolarHBondContact NZ-OD1 2.93Å; H851-N855 PolarHBondContact CD2-ND2 3.4Å; H851-N855 PolarHBondContact CE1-ND2 2.85Å; H851-N855 PolarHBondContact NE2-ND2 2.79Å; H851-N855 VanDerWaalsContact NE2-ND2 3.18Å; H851-N855 WeakPolarHBondContact O-CB 3.35Å; H851-N855 PolarHBondContact O-N 2.94Å; H851-N855 PolarHBondContact O-ND2 2.82Å; F852-N855 PolarHBondContact O-N 3.21Å; V853-N855 VanDerWaalsContact C-N 3.26Å; V853-N855 PolarHBondContact O-N 2.91Å; N855-R857 PolarHBondContact O-N 3.3Å
856L84.1Confident84.1Confident74 Ų7472 Ų7239%0.38733%0.331SS..  trans-64.3131.8171-68.7173000110.5F852 V853 Y858 F859F852-L856 HydrophobicContact CE1-CD2 4.07Å; F852-L856 HydrophobicContact CE2-CD2 4.24Å; F852-L856 HydrophobicContact CZ-CD2 3.85Å; F852-L856 PolarHBondContact O-N 2.69Å; V853-L856 PolarHBondContact O-N 3.48Å; L856-Y858 PolarHBondContact O-N 2.85Å; L856-F859 HydrophobicContact CB-CB 4.16Å; L856-F859 WeakPolarHBondContact O-CB 3.43Å; L856-F859 PolarHBondContact O-N 3.16Å
857R79.1Confident84.3Confident193 Ų19368.4 Ų68.473%0.72831%0.31SS*.THydrogen-bonded Turntrans-52-30178.3-168.4179.8-170.8-179.56.4113.2N855 E2154N855-R857 PolarHBondContact O-N 3.3Å; R857-E2154 IonicContact NH2-OE2 2.64Å; R857-E2154 PolarHBondContact NH2-OE2 2.93Å
858Y83.8Confident84.4Confident171 Ų17171.8 Ų71.867%0.67133%0.33SS*.THydrogen-bonded Turntrans-89.4-11.6179.4-58.2-65.8000114.7L856 L861 F862L856-Y858 PolarHBondContact O-N 2.85Å; Y858-L861 HydrophobicContact CD1-CD2 4.41Å; Y858-L861 PolarHBondContact O-N 3.23Å; Y858-F862 VanDerWaalsContact O-CB 3.26Å; Y858-F862 WeakPolarHBondContact O-CB 3.48Å; Y858-F862 PolarHBondContact O-N 2.95Å
859F86.8Confident84.7Confident24 Ų2467.7 Ų67.711%0.10532%0.323CS..Hα-helixtrans-64.3-47.1179.9-178.2-98.3000111.2V853 V854 L856 L861 F862 I863 E904 L907V853-F859 HydrophobicContact CG1-CD2 4.12Å; V853-F859 HydrophobicContact CG1-CE2 4.17Å; V854-F859 HydrophobicContact CG1-CE1 4.49Å; V854-F859 HydrophobicContact CG2-CE1 4.38Å; V854-F859 HydrophobicContact CG2-CZ 4.32Å; L856-F859 HydrophobicContact CB-CB 4.16Å; L856-F859 WeakPolarHBondContact O-CB 3.43Å; L856-F859 PolarHBondContact O-N 3.16Å; F859-L861 VanDerWaalsContact C-N 3.33Å; F859-L861 PolarHBondContact O-N 2.95Å; F859-F862 PolarHBondContact O-N 3.33Å; F859-I863 HydrophobicContact CE1-CG1 4.25Å; F859-I863 HydrophobicContact CE2-CG1 4.43Å; F859-I863 HydrophobicContact CZ-CG1 4.19Å; F859-I863 WeakPolarHBondContact O-CG1 3.35Å; F859-I863 PolarHBondContact O-N 2.96Å; F859-E904 HydrophobicContact CZ-CG 4.35Å; F859-L907 HydrophobicContact CE2-CD1 4.15Å; F859-L907 HydrophobicContact CZ-CD1 4.43Å
860D77.3Confident84.7Confident79 Ų7961.4 Ų61.442%0.42230%0.295SS..Hα-helixtrans-68.1-31.1177.7-86.1-41.8000113.5M864 R979D860-M864 VanDerWaalsContact O-CB 3.25Å; D860-M864 WeakPolarHBondContact O-CB 3.43Å; D860-M864 PolarHBondContact O-N 3.39Å; D860-M864 VanDerWaalsContact O-N 3.09Å; D860-R979 PolarHBondContact O-NH1 2.76Å; D860-R979 IonicContact OD1-CZ 2.88Å; D860-R979 IonicContact OD1-NH1 2.77Å; D860-R979 PolarHBondContact OD1-NH1 2.97Å; D860-R979 IonicContact OD1-NH2 3.13Å
861L81.3Confident84.7Confident87 Ų8761.7 Ų61.746%0.45530%0.297SS..Hα-helixtrans-68.3-47.9172.1-171.290.2000111.1Y858 F859 M864 I865Y858-L861 HydrophobicContact CD1-CD2 4.41Å; Y858-L861 PolarHBondContact O-N 3.23Å; F859-L861 VanDerWaalsContact C-N 3.33Å; F859-L861 PolarHBondContact O-N 2.95Å; L861-M864 HydrophobicContact CD1-CE 4.03Å; L861-M864 WeakPolarHBondContact O-CB 3.3Å; L861-M864 PolarHBondContact O-N 3.41Å; L861-I865 HydrophobicContact CD2-CD1 4.33Å; L861-I865 HydrophobicContact CG-CD1 4.22Å; L861-I865 WeakPolarHBondContact O-CG1 3.31Å; L861-I865 PolarHBondContact O-N 3.12Å
862F88.6Confident84.8Confident112 Ų11265.8 Ų65.849%0.49132%0.319SS..Hα-helixtrans-59.2-50.5179.7171-103.3000111.4Y858 F859 M864 I865 V866 V900Y858-F862 VanDerWaalsContact O-CB 3.26Å; Y858-F862 WeakPolarHBondContact O-CB 3.48Å; Y858-F862 PolarHBondContact O-N 2.95Å; F859-F862 PolarHBondContact O-N 3.33Å; F862-M864 VanDerWaalsContact C-N 3.3Å; F862-M864 PolarHBondContact O-N 2.82Å; F862-I865 PolarHBondContact O-N 2.93Å; F862-V866 HydrophobicContact CE1-CG2 4.08Å; F862-V866 HydrophobicContact CE2-CG2 4.1Å; F862-V866 HydrophobicContact CZ-CG2 3.87Å; F862-V866 WeakPolarHBondContact O-CG2 3.23Å; F862-V866 PolarHBondContact O-N 3.37Å; F862-V900 HydrophobicContact CE1-CG1 4.05Å
863I86.2Confident84.9Confident3 Ų360.5 Ų60.52%0.01530%0.3CS..Hα-helixtrans-64.9-34.5177.6-62.2-63.9000111.3F859 V866 I867 V900 E904F859-I863 HydrophobicContact CE1-CG1 4.25Å; F859-I863 HydrophobicContact CE2-CG1 4.43Å; F859-I863 HydrophobicContact CZ-CG1 4.19Å; F859-I863 WeakPolarHBondContact O-CG1 3.35Å; F859-I863 PolarHBondContact O-N 2.96Å; I863-V866 PolarHBondContact O-N 2.72Å; I863-I867 HydrophobicContact CG2-CD1 3.84Å; I863-I867 HydrophobicContact CG2-CG1 4.32Å; I863-I867 WeakPolarHBondContact O-CD1 3.44Å; I863-I867 WeakPolarHBondContact O-CG1 3.49Å; I863-I867 PolarHBondContact O-N 2.84Å; I863-V900 HydrophobicContact CD1-CG1 3.8Å; I863-E904 HydrophobicContact CD1-CB 4.26Å; I863-E904 HydrophobicContact CD1-CG 4.46Å; I863-E904 WeakPolarHBondContact CG2-OE2 3.39Å
864M80.3Confident84.8Confident65 Ų6559.4 Ų59.432%0.3229%0.293SS..Hα-helixtrans-61.5-43.3173-176.3-178.672.900112.1D860 L861 F862 I867 V868D860-M864 VanDerWaalsContact O-CB 3.25Å; D860-M864 WeakPolarHBondContact O-CB 3.43Å; D860-M864 PolarHBondContact O-N 3.39Å; D860-M864 VanDerWaalsContact O-N 3.09Å; L861-M864 HydrophobicContact CD1-CE 4.03Å; L861-M864 WeakPolarHBondContact O-CB 3.3Å; L861-M864 PolarHBondContact O-N 3.41Å; F862-M864 VanDerWaalsContact C-N 3.3Å; F862-M864 PolarHBondContact O-N 2.82Å; M864-I867 PolarHBondContact O-N 3.18Å; M864-V868 WeakPolarHBondContact O-CG2 3.3Å; M864-V868 PolarHBondContact O-N 2.87Å
865I86.8Confident85Confident91 Ų9159.6 Ų59.647%0.46730%0.296SS..Hα-helixtrans-61.8-44.9174.2-66.2163.8000110.2L861 F862 I867 V868 S869L861-I865 HydrophobicContact CD2-CD1 4.33Å; L861-I865 HydrophobicContact CG-CD1 4.22Å; L861-I865 WeakPolarHBondContact O-CG1 3.31Å; L861-I865 PolarHBondContact O-N 3.12Å; F862-I865 PolarHBondContact O-N 2.93Å; I865-I867 VanDerWaalsContact C-N 3.32Å; I865-I867 PolarHBondContact O-N 3.35Å; I865-V868 PolarHBondContact O-N 2.87Å; I865-S869 PolarHBondContact O-N 2.9Å; I865-S869 PolarHBondContact O-OG 3.01Å
866V89.5Confident85.2Confident15 Ų1559.2 Ų59.29%0.09130%0.299CS..Hα-helixtrans-61.1-38.2176.9172.50000112.2F862 I863 S870 F897 V900 F901F862-V866 HydrophobicContact CE1-CG2 4.08Å; F862-V866 HydrophobicContact CE2-CG2 4.1Å; F862-V866 HydrophobicContact CZ-CG2 3.87Å; F862-V866 WeakPolarHBondContact O-CG2 3.23Å; F862-V866 PolarHBondContact O-N 3.37Å; I863-V866 PolarHBondContact O-N 2.72Å; V866-S870 WeakPolarHBondContact O-CB 3.28Å; V866-S870 PolarHBondContact O-N 3.4Å; V866-F897 HydrophobicContact CG1-CD1 3.93Å; V866-V900 HydrophobicContact CG1-CB 4.41Å; V866-V900 HydrophobicContact CG1-CG1 4.05Å; V866-V900 HydrophobicContact CG2-CG1 4.37Å; V866-F901 HydrophobicContact CG1-CE1 3.96Å; V866-F901 HydrophobicContact CG1-CZ 3.86Å
867I86Confident85.2Confident1 Ų157.4 Ų57.41%0.00529%0.288CS..Hα-helixtrans-63.4-45.3174.1-68.8156.4000111I863 M864 I865 S870 S871 F901 R972 K975 T976I863-I867 HydrophobicContact CG2-CD1 3.84Å; I863-I867 HydrophobicContact CG2-CG1 4.32Å; I863-I867 WeakPolarHBondContact O-CD1 3.44Å; I863-I867 WeakPolarHBondContact O-CG1 3.49Å; I863-I867 PolarHBondContact O-N 2.84Å; M864-I867 PolarHBondContact O-N 3.18Å; I865-I867 VanDerWaalsContact C-N 3.32Å; I865-I867 PolarHBondContact O-N 3.35Å; I867-S870 PolarHBondContact O-N 3.01Å; I867-S871 WeakPolarHBondContact O-CB 3.34Å; I867-S871 PolarHBondContact O-N 3.19Å; I867-S871 PolarHBondContact O-OG 3.46Å; I867-F901 HydrophobicContact CG1-CE1 3.82Å; I867-F901 HydrophobicContact CG1-CZ 4.02Å; I867-R972 WeakPolarHBondContact CG2-O 3.48Å; I867-K975 HydrophobicContact CD1-CB 3.68Å; I867-K975 HydrophobicContact CD1-CD 3.53Å; I867-K975 HydrophobicContact CD1-CG 4.26Å; I867-K975 HydrophobicContact CG1-CD 4Å; I867-T976 HydrophobicContact CG2-CG2 4.45Å
868V84.4Confident85.5Confident71 Ų7149.3 Ų49.343%0.4326%0.26SS..Hα-helixtrans-65.3-49.3178.7173.50000110.9M864 I865 S870 S871 L872M864-V868 WeakPolarHBondContact O-CG2 3.3Å; M864-V868 PolarHBondContact O-N 2.87Å; I865-V868 PolarHBondContact O-N 2.87Å; V868-S870 VanDerWaalsContact C-N 3.3Å; V868-S870 PolarHBondContact O-N 3.36Å; V868-S871 WeakPolarHBondContact O-CB 3.33Å; V868-S871 PolarHBondContact O-N 3.32Å; V868-L872 HydrophobicContact CG1-CD1 4.09Å; V868-L872 HydrophobicContact CG1-CG 4.5Å; V868-L872 WeakPolarHBondContact O-CG 3.33Å; V868-L872 PolarHBondContact O-N 2.98Å
869S87.2Confident85.4Confident52 Ų5242 Ų4236%0.36423%0.233SC..Hα-helixtrans-58.7-40.7175.9-62.20000112.4I865 S871 L872 A873I865-S869 PolarHBondContact O-N 2.9Å; I865-S869 PolarHBondContact O-OG 3.01Å; S869-S871 VanDerWaalsContact C-N 3.29Å; S869-S871 PolarHBondContact O-N 3.38Å; S869-L872 PolarHBondContact O-N 3.39Å; S869-A873 WeakPolarHBondContact O-CB 3.21Å; S869-A873 PolarHBondContact O-N 3.28Å
870S87.4Confident85.2Confident0 Ų042.6 Ų42.60%024%0.239CC..Hα-helixtrans-66-29.7173.8172.50000113.4V866 I867 V868 L874 R972V866-S870 WeakPolarHBondContact O-CB 3.28Å; V866-S870 PolarHBondContact O-N 3.4Å; I867-S870 PolarHBondContact O-N 3.01Å; V868-S870 VanDerWaalsContact C-N 3.3Å; V868-S870 PolarHBondContact O-N 3.36Å; S870-L874 PolarHBondContact O-N 2.94Å; S870-R972 VanDerWaalsContact OG-CD 3.25Å; S870-R972 WeakPolarHBondContact OG-CD 3.37Å; S870-R972 PolarHBondContact OG-NH1 3.06Å
871S86.3Confident85.3Confident12 Ų1241 Ų418%0.08423%0.234CC..Hα-helixtrans-77.5-42.8179-55.10000109.8I867 V868 S869 A873 L874 A875 F1342I867-S871 WeakPolarHBondContact O-CB 3.34Å; I867-S871 PolarHBondContact O-N 3.19Å; I867-S871 PolarHBondContact O-OG 3.46Å; V868-S871 WeakPolarHBondContact O-CB 3.33Å; V868-S871 PolarHBondContact O-N 3.32Å; S869-S871 VanDerWaalsContact C-N 3.29Å; S869-S871 PolarHBondContact O-N 3.38Å; S871-A873 VanDerWaalsContact C-N 3.26Å; S871-A873 PolarHBondContact O-N 3.09Å; S871-L874 PolarHBondContact O-N 3.23Å; S871-L874 VanDerWaalsContact O-N 3.13Å; S871-A875 PolarHBondContact O-N 3.37Å; S871-F1342 WeakPolarHBondContact O-CZ 3.25Å
872L86.2Confident84.9Confident113 Ų11341.8 Ų41.859%0.59224%0.235SC*.Hα-helixtrans-59.4-35.7171.9-67170.9000112.3V868 S869 A875 A876V868-L872 HydrophobicContact CG1-CD1 4.09Å; V868-L872 HydrophobicContact CG1-CG 4.5Å; V868-L872 WeakPolarHBondContact O-CG 3.33Å; V868-L872 PolarHBondContact O-N 2.98Å; S869-L872 PolarHBondContact O-N 3.39Å; L872-A875 PolarHBondContact O-N 3.02Å; L872-A876 WeakPolarHBondContact O-CB 3.47Å; L872-A876 PolarHBondContact O-N 3Å; L872-A876 VanDerWaalsContact O-N 3.15Å
873A88Confident84.3Confident18 Ų1844.2 Ų44.215%0.14925%0.253CS..Hα-helixtrans-63.6-41.3173.600000112.9S869 S871 A876 E877 L890 F897S869-A873 WeakPolarHBondContact O-CB 3.21Å; S869-A873 PolarHBondContact O-N 3.28Å; S871-A873 VanDerWaalsContact C-N 3.26Å; S871-A873 PolarHBondContact O-N 3.09Å; A873-A876 PolarHBondContact O-N 3.23Å; A873-E877 PolarHBondContact O-N 3.1Å; A873-L890 HydrophobicContact CB-CD2 3.9Å; A873-F897 HydrophobicContact CB-CE2 3.88Å
874L85Confident84.3Confident6 Ų645.2 Ų45.23%0.03126%0.261CS..Hα-helixtrans-65.9-39.5175.3-70167.5000112S870 S871 A876 E877 R969 V1346 M1349S870-L874 PolarHBondContact O-N 2.94Å; S871-L874 PolarHBondContact O-N 3.23Å; S871-L874 VanDerWaalsContact O-N 3.13Å; L874-A876 PolarHBondContact O-N 3.04Å; L874-E877 WeakPolarHBondContact O-CB 3.48Å; L874-E877 PolarHBondContact O-N 3.1Å; L874-R969 HydrophobicContact CD1-CB 4.13Å; L874-R969 HydrophobicContact CD2-CB 4.28Å; L874-V1346 HydrophobicContact CB-CG1 4.18Å; L874-M1349 VanDerWaalsContact O-CE 3.29Å; L874-M1349 WeakPolarHBondContact O-CE 3.35Å
875A86.7Confident84.7Confident21 Ų2149 Ų4917%0.17428%0.28CS..Hα-helixtrans-70.9-10.5175.400000114S871 L872 F1342 V1346 F1373S871-A875 PolarHBondContact O-N 3.37Å; L872-A875 PolarHBondContact O-N 3.02Å; A875-F1342 HydrophobicContact CB-CE2 3.88Å; A875-F1342 HydrophobicContact CB-CZ 4.29Å; A875-V1346 HydrophobicContact CB-CG2 4.5Å; A875-F1373 HydrophobicContact CB-CB 4.3Å; A875-F1373 HydrophobicContact CB-CD1 4.38Å; A875-F1373 HydrophobicContact CB-CD2 3.86Å; A875-F1373 HydrophobicContact CB-CE2 4.3Å; A875-F1373 HydrophobicContact CB-CG 3.91Å; A875-F1373 WeakPolarHBondContact O-CB 3.47Å
876A88.3Confident84.7Confident36 Ų3650.2 Ų50.230%0.29828%0.279SS..THydrogen-bonded Turntrans-99.6-5.7175.900000113.8L872 A873 L874 R886 L890L872-A876 WeakPolarHBondContact O-CB 3.47Å; L872-A876 PolarHBondContact O-N 3Å; L872-A876 VanDerWaalsContact O-N 3.15Å; A873-A876 PolarHBondContact O-N 3.23Å; L874-A876 PolarHBondContact O-N 3.04Å; A876-R886 WeakPolarHBondContact O-CD 3.39Å; A876-R886 PolarHBondContact O-NH1 2.67Å; A876-L890 HydrophobicContact CB-CD1 4.16Å; A876-L890 HydrophobicContact CB-CD2 4.27Å; A876-L890 WeakPolarHBondContact O-CD1 3.48Å
877E85Confident84.5Confident35 Ų3550.3 Ų50.316%0.16428%0.279CS..  trans-61.3142.3177.8-168173.6-160.800110.8A873 L874 L890 R966 M1349 Q1350A873-E877 PolarHBondContact O-N 3.1Å; L874-E877 WeakPolarHBondContact O-CB 3.48Å; L874-E877 PolarHBondContact O-N 3.1Å; E877-L890 HydrophobicContact CB-CD1 4.45Å; E877-R966 IonicContact OE1-NH1 3.75Å; E877-R966 PolarHBondContact OE1-NH1 3.42Å; E877-M1349 HydrophobicContact CB-CE 4.09Å; E877-M1349 WeakPolarHBondContact O-CE 3.06Å; E877-Q1350 PolarHBondContact OE2-NE2 3.37Å
878D84.9Confident84.5Confident24 Ų2453 Ų5313%0.12830%0.297CS..  trans-98.8110.6175.8-166.9-47.8000109.6V880 S881 R886 N887D878-V880 VanDerWaalsContact C-N 3.33Å; D878-V880 PolarHBondContact OD1-N 3.25Å; D878-S881 PolarHBondContact OD1-N 2.99Å; D878-S881 PolarHBondContact OD1-OG 3.21Å; D878-S881 PolarHBondContact OD2-OG 3.28Å; D878-R886 VanDerWaalsContact CG-NH2 3.27Å; D878-R886 IonicContact OD2-CZ 3.57Å; D878-R886 IonicContact OD2-NE 3.85Å; D878-R886 IonicContact OD2-NH2 2.68Å; D878-R886 PolarHBondContact OD2-NH2 2.83Å; D878-N887 WeakPolarHBondContact CB-OD1 3.47Å; D878-N887 PolarHBondContact N-OD1 3.29Å; D878-N887 PolarHBondContact O-ND2 3.06Å
879P82.3Confident84.7Confident18 Ų1854 Ų5412%0.11730%0.3CS..SBendtrans-75.8-21.1-179.532.4-36.8000113M1349 T1354 H1371P879-M1349 HydrophobicContact CB-CG 4.22Å; P879-M1349 VanDerWaalsContact CB-O 3.28Å; P879-M1349 WeakPolarHBondContact CB-O 3.08Å; P879-M1349 HydrophobicContact CG-CG 3.72Å; P879-T1354 VanDerWaalsContact O-CG2 3.28Å; P879-T1354 WeakPolarHBondContact O-CG2 3.45Å; P879-H1371 VanDerWaalsContact CD-O 3.32Å; P879-H1371 WeakPolarHBondContact CD-O 3.34Å; P879-H1371 WeakPolarHBondContact CG-O 3.37Å
880V80.7Confident84.8Confident35 Ų3552.8 Ų52.821%0.21229%0.289CS..SBendtrans-85.7-44.2-174.3-173.20000111.1D878 G1353 H1371 V1399 N1400D878-V880 VanDerWaalsContact C-N 3.33Å; D878-V880 PolarHBondContact OD1-N 3.25Å; V880-G1353 WeakPolarHBondContact CG2-O 3.27Å; V880-H1371 HydrophobicContact CG2-CB 4.1Å; V880-H1371 WeakPolarHBondContact CG2-ND1 3.22Å; V880-V1399 HydrophobicContact CG1-CB 4.24Å; V880-V1399 HydrophobicContact CG1-CG1 3.83Å; V880-V1399 HydrophobicContact CG1-CG2 4.49Å; V880-N1400 PolarHBondContact O-ND2 3.48Å
881S80.3Confident84.5Confident47 Ų4756.5 Ų56.533%0.32931%0.306SS..  trans-111.972.9-17368.50000111.9D878 N883 S884 N887D878-S881 PolarHBondContact OD1-N 2.99Å; D878-S881 PolarHBondContact OD1-OG 3.21Å; D878-S881 PolarHBondContact OD2-OG 3.28Å; S881-N883 PolarHBondContact O-N 3.45Å; S881-S884 VanDerWaalsContact O-CB 3.31Å; S881-S884 WeakPolarHBondContact O-CB 3.45Å; S881-S884 PolarHBondContact O-N 3.22Å; S881-S884 PolarHBondContact O-OG 3.48Å; S881-S884 VanDerWaalsContact O-OG 3.04Å; S881-S884 WeakPolarHBondContact OG-CB 3.33Å; S881-N887 PolarHBondContact O-ND2 3.3Å; S881-N887 VanDerWaalsContact O-ND2 3.08Å
882E72.7Confident84.6Confident102 Ų10263.1 Ų63.148%0.47733%0.331SS..THydrogen-bonded Turntrans-46.7-40.2-176.9-68-168.4-165.600113.4N887 K963E882-N887 WeakPolarHBondContact O-CB 3.3Å; E882-N887 PolarHBondContact O-ND2 2.96Å; E882-K963 WeakPolarHBondContact OE1-CE 3.19Å; E882-K963 IonicContact OE1-NZ 2.66Å; E882-K963 PolarHBondContact OE1-NZ 3.24Å
883N77.3Confident84.8Confident164 Ų16463.3 Ų63.388%0.87733%0.327SS*.THydrogen-bonded Turntrans-90.714.2-177.7-63.9-46.3000114.9S881S881-N883 PolarHBondContact O-N 3.45Å
884S84.2Confident84.6Confident24 Ų2463.2 Ų63.217%0.16832%0.324CS..  trans-64.4152.7179.961.70000112.9S881 R886 N887 C888S881-S884 VanDerWaalsContact O-CB 3.31Å; S881-S884 WeakPolarHBondContact O-CB 3.45Å; S881-S884 PolarHBondContact O-N 3.22Å; S881-S884 PolarHBondContact O-OG 3.48Å; S881-S884 VanDerWaalsContact O-OG 3.04Å; S881-S884 WeakPolarHBondContact OG-CB 3.33Å; S884-R886 PolarHBondContact O-N 2.94Å; S884-N887 PolarHBondContact O-N 3.5Å; S884-N887 WeakPolarHBondContact OG-CB 3.33Å; S884-N887 PolarHBondContact OG-N 3.05Å; S884-C888 PolarHBondContact O-N 3.1Å
885I88.9Confident84.5Confident143 Ų14366.1 Ų66.173%0.73334%0.337SS*.Hα-helixtrans-56.5-36.6174.3-58.2174000110.4C888 L889I885-C888 PolarHBondContact O-N 3.44Å; I885-L889 HydrophobicContact CG2-CD1 4.19Å; I885-L889 WeakPolarHBondContact O-CG 3.45Å; I885-L889 PolarHBondContact O-N 2.63Å
886R87.1Confident84.7Confident118 Ų11867.6 Ų67.645%0.44535%0.349SS..Hα-helixtrans-56.3-55.4171.9173.6162.265.7140.3-15.8111.6A876 D878 S884 C888 L889 L890A876-R886 WeakPolarHBondContact O-CD 3.39Å; A876-R886 PolarHBondContact O-NH1 2.67Å; D878-R886 VanDerWaalsContact CG-NH2 3.27Å; D878-R886 IonicContact OD2-CZ 3.57Å; D878-R886 IonicContact OD2-NE 3.85Å; D878-R886 IonicContact OD2-NH2 2.68Å; D878-R886 PolarHBondContact OD2-NH2 2.83Å; S884-R886 PolarHBondContact O-N 2.94Å; R886-C888 VanDerWaalsContact C-N 3.34Å; R886-C888 PolarHBondContact O-N 3.36Å; R886-L889 PolarHBondContact O-N 2.74Å; R886-L890 HydrophobicContact CG-CD1 3.81Å; R886-L890 VanDerWaalsContact O-CG 3.29Å; R886-L890 WeakPolarHBondContact O-CG 3.35Å; R886-L890 PolarHBondContact O-N 3.14Å
887N85.2Confident84.8Confident17 Ų1767.4 Ų67.49%0.09134%0.342CS..Hα-helixtrans-64.9-36.2-179.8-75.4-2.2000113D878 S881 E882 S884 L890 E891D878-N887 WeakPolarHBondContact CB-OD1 3.47Å; D878-N887 PolarHBondContact N-OD1 3.29Å; D878-N887 PolarHBondContact O-ND2 3.06Å; S881-N887 PolarHBondContact O-ND2 3.3Å; S881-N887 VanDerWaalsContact O-ND2 3.08Å; E882-N887 WeakPolarHBondContact O-CB 3.3Å; E882-N887 PolarHBondContact O-ND2 2.96Å; S884-N887 PolarHBondContact O-N 3.5Å; S884-N887 WeakPolarHBondContact OG-CB 3.33Å; S884-N887 PolarHBondContact OG-N 3.05Å; N887-L890 PolarHBondContact O-N 3.33Å; N887-E891 WeakPolarHBondContact O-CB 3.36Å; N887-E891 PolarHBondContact O-N 3.38Å
888C86.5Confident84.8Confident56 Ų5666.3 Ų66.338%0.37834%0.338SS..Hα-helixtrans-60.5-45.7174.1-172.90000111.7S884 I885 R886 E891 Y892S884-C888 PolarHBondContact O-N 3.1Å; I885-C888 PolarHBondContact O-N 3.44Å; R886-C888 VanDerWaalsContact C-N 3.34Å; R886-C888 PolarHBondContact O-N 3.36Å; C888-E891 PolarHBondContact O-N 2.87Å; C888-Y892 WeakPolarHBondContact O-CD2 2.92Å; C888-Y892 PolarHBondContact O-N 3.24Å
889L89.7Confident85Confident93 Ų9368.6 Ų68.649%0.48736%0.355SS..Hα-helixtrans-65-40174.3-70.2170.2000112.5I885 R886 Y892 F893I885-L889 HydrophobicContact CG2-CD1 4.19Å; I885-L889 WeakPolarHBondContact O-CG 3.45Å; I885-L889 PolarHBondContact O-N 2.63Å; R886-L889 PolarHBondContact O-N 2.74Å; L889-Y892 PolarHBondContact O-N 2.89Å; L889-F893 VanDerWaalsContact O-CD2 3.26Å; L889-F893 WeakPolarHBondContact O-CD2 3.46Å; L889-F893 PolarHBondContact O-N 2.9Å
890L88Confident85.4Confident26 Ų2669.7 Ų69.714%0.13636%0.361CS..Hα-helixtrans-66.5-36.1176.2-68.4169.4000112.4A873 A876 E877 R886 N887 F893 D894A873-L890 HydrophobicContact CB-CD2 3.9Å; A876-L890 HydrophobicContact CB-CD1 4.16Å; A876-L890 HydrophobicContact CB-CD2 4.27Å; A876-L890 WeakPolarHBondContact O-CD1 3.48Å; E877-L890 HydrophobicContact CB-CD1 4.45Å; R886-L890 HydrophobicContact CG-CD1 3.81Å; R886-L890 VanDerWaalsContact O-CG 3.29Å; R886-L890 WeakPolarHBondContact O-CG 3.35Å; R886-L890 PolarHBondContact O-N 3.14Å; N887-L890 PolarHBondContact O-N 3.33Å; L890-F893 HydrophobicContact CD2-CD2 4.41Å; L890-F893 PolarHBondContact O-N 3.16Å; L890-D894 WeakPolarHBondContact O-CB 3.32Å; L890-D894 PolarHBondContact O-N 3.24Å
891E82.2Confident85.8Confident78 Ų7868.1 Ų68.136%0.36435%0.351SS..Hα-helixtrans-61.5-43.6173.8-177.8169.5-144.400111.1N887 C888 D894 H895N887-E891 WeakPolarHBondContact O-CB 3.36Å; N887-E891 PolarHBondContact O-N 3.38Å; C888-E891 PolarHBondContact O-N 2.87Å; E891-D894 PolarHBondContact O-N 2.9Å; E891-H895 WeakPolarHBondContact CG-CE1 3.46Å; E891-H895 VanDerWaalsContact O-CG 3.31Å; E891-H895 PolarHBondContact O-N 3.24Å; E891-H895 PolarHBondContact O-ND1 2.83Å; E891-H895 IonicContact OE1-CE1 2.82Å
892Y87.5Confident86.2Confident152 Ų15267 Ų6760%0.59635%0.345SS*.Hα-helixtrans-63-41.2173.8-67.6-57.8000112.9C888 L889 H895 A896C888-Y892 WeakPolarHBondContact O-CD2 2.92Å; C888-Y892 PolarHBondContact O-N 3.24Å; L889-Y892 PolarHBondContact O-N 2.89Å; Y892-H895 WeakPolarHBondContact O-CB 3.16Å; Y892-H895 PolarHBondContact O-N 3.01Å; Y892-A896 PolarHBondContact O-N 3.46Å; Y892-A896 VanDerWaalsContact O-N 3.09Å
893F89.4Confident87.1Confident116 Ų11666.4 Ų66.451%0.50934%0.344SS..Hα-helixtrans-64.7-39.9174.3-68-45000112L889 L890 H895 A896 F897L889-F893 VanDerWaalsContact O-CD2 3.26Å; L889-F893 WeakPolarHBondContact O-CD2 3.46Å; L889-F893 PolarHBondContact O-N 2.9Å; L890-F893 HydrophobicContact CD2-CD2 4.41Å; L890-F893 PolarHBondContact O-N 3.16Å; F893-H895 VanDerWaalsContact C-N 3.35Å; F893-H895 PolarHBondContact O-N 3.09Å; F893-A896 WeakPolarHBondContact O-CB 3.22Å; F893-A896 PolarHBondContact O-N 3.31Å; F893-A896 VanDerWaalsContact O-N 3.12Å; F893-F897 HydrophobicContact CB-CD2 4.41Å; F893-F897 HydrophobicContact CB-CE2 3.87Å; F893-F897 HydrophobicContact CB-CZ 4.32Å; F893-F897 WeakPolarHBondContact O-CD2 3.27Å; F893-F897 VanDerWaalsContact O-CG 3.25Å; F893-F897 WeakPolarHBondContact O-CG 3.34Å; F893-F897 PolarHBondContact O-N 3.08Å
894D84.3Confident87.6Confident16 Ų1658.7 Ų58.79%0.08630%0.302CS..Hα-helixtrans-73.2-27179.6-157.89000112.5L890 E891 T898 R969 R972L890-D894 WeakPolarHBondContact O-CB 3.32Å; L890-D894 PolarHBondContact O-N 3.24Å; E891-D894 PolarHBondContact O-N 2.9Å; D894-T898 WeakPolarHBondContact O-CB 3.26Å; D894-T898 PolarHBondContact O-N 3.44Å; D894-T898 PolarHBondContact O-OG1 2.89Å; D894-R969 VanDerWaalsContact OD2-CD 3.3Å; D894-R969 WeakPolarHBondContact OD2-CD 3.43Å; D894-R969 IonicContact OD2-CZ 2.72Å; D894-R969 IonicContact OD2-NE 3.43Å; D894-R969 IonicContact OD2-NH1 2.72Å; D894-R969 PolarHBondContact OD2-NH1 3.26Å; D894-R972 IonicContact OD1-CZ 3.07Å; D894-R972 IonicContact OD1-NH1 3.83Å; D894-R972 PolarHBondContact OD1-NH1 3.25Å; D894-R972 IonicContact OD1-NH2 2.65Å; D894-R972 PolarHBondContact OD1-NH2 3.29Å
895H84.4Confident87.8Confident68 Ų6858.9 Ų58.932%0.31530%0.301SS..Hα-helixtrans-61.8-46.9163.9-71.417.7000111.1E891 Y892 F893 T898 C899 F941E891-H895 WeakPolarHBondContact CG-CE1 3.46Å; E891-H895 VanDerWaalsContact O-CG 3.31Å; E891-H895 PolarHBondContact O-N 3.24Å; E891-H895 PolarHBondContact O-ND1 2.83Å; E891-H895 IonicContact OE1-CE1 2.82Å; Y892-H895 WeakPolarHBondContact O-CB 3.16Å; Y892-H895 PolarHBondContact O-N 3.01Å; F893-H895 VanDerWaalsContact C-N 3.35Å; F893-H895 PolarHBondContact O-N 3.09Å; H895-T898 PolarHBondContact O-N 3.11Å; H895-C899 WeakPolarHBondContact O-CB 3.45Å; H895-C899 PolarHBondContact O-N 3.45Å; H895-F941 AromaticContact CD2-CE2 3.8Å; H895-F941 AromaticContact CE1-CD2 3.99Å; H895-F941 AromaticContact NE2-CD2 3.86Å; H895-F941 AromaticContact NE2-CE2 3.69Å
896A89.8Confident87.8Confident51 Ų5156.6 Ų56.642%0.42129%0.29SS..Hα-helixtrans-63.6-45.8177.800000112.2Y892 F893 C899 V900Y892-A896 PolarHBondContact O-N 3.46Å; Y892-A896 VanDerWaalsContact O-N 3.09Å; F893-A896 WeakPolarHBondContact O-CB 3.22Å; F893-A896 PolarHBondContact O-N 3.31Å; F893-A896 VanDerWaalsContact O-N 3.12Å; A896-C899 WeakPolarHBondContact O-CB 3.32Å; A896-C899 PolarHBondContact O-N 3.17Å; A896-V900 WeakPolarHBondContact O-CG2 3.29Å; A896-V900 PolarHBondContact O-N 3.3Å
897F89.8Confident87.9Confident32 Ų3252.2 Ų52.214%0.1428%0.275CS..Hα-helixtrans-62.7-42.3175.5-60.1-40.9000111.9V866 A873 F893 C899 V900 F901V866-F897 HydrophobicContact CG1-CD1 3.93Å; A873-F897 HydrophobicContact CB-CE2 3.88Å; F893-F897 HydrophobicContact CB-CD2 4.41Å; F893-F897 HydrophobicContact CB-CE2 3.87Å; F893-F897 HydrophobicContact CB-CZ 4.32Å; F893-F897 WeakPolarHBondContact O-CD2 3.27Å; F893-F897 VanDerWaalsContact O-CG 3.25Å; F893-F897 WeakPolarHBondContact O-CG 3.34Å; F893-F897 PolarHBondContact O-N 3.08Å; F897-C899 VanDerWaalsContact C-N 3.3Å; F897-C899 PolarHBondContact O-N 3.06Å; F897-V900 PolarHBondContact O-N 2.75Å; F897-F901 HydrophobicContact CB-CD2 4.44Å; F897-F901 HydrophobicContact CB-CE2 4.05Å; F897-F901 WeakPolarHBondContact O-CD2 3.18Å; F897-F901 WeakPolarHBondContact O-CG 3.43Å; F897-F901 PolarHBondContact O-N 2.66Å
898T85.3Confident88Confident13 Ų1352.7 Ų52.78%0.0828%0.276CS..Hα-helixtrans-62.4-37.7175.8-60.70000111.6D894 H895 F901 A902 A937 R972D894-T898 WeakPolarHBondContact O-CB 3.26Å; D894-T898 PolarHBondContact O-N 3.44Å; D894-T898 PolarHBondContact O-OG1 2.89Å; H895-T898 PolarHBondContact O-N 3.11Å; T898-F901 PolarHBondContact O-N 3.46Å; T898-A902 WeakPolarHBondContact O-CB 3.04Å; T898-A902 PolarHBondContact O-N 3.32Å; T898-A937 HydrophobicContact CG2-CB 3.6Å; T898-R972 PolarHBondContact OG1-NH2 3.37Å
899C88.9Confident88Confident72 Ų7251.4 Ų51.449%0.48627%0.266SS..Hα-helixtrans-62.7-46.9172.7-170.90000111.9H895 A896 F897 F901 A902 I903H895-C899 WeakPolarHBondContact O-CB 3.45Å; H895-C899 PolarHBondContact O-N 3.45Å; A896-C899 WeakPolarHBondContact O-CB 3.32Å; A896-C899 PolarHBondContact O-N 3.17Å; F897-C899 VanDerWaalsContact C-N 3.3Å; F897-C899 PolarHBondContact O-N 3.06Å; C899-F901 PolarHBondContact O-N 3.33Å; C899-A902 PolarHBondContact O-N 2.92Å; C899-I903 WeakPolarHBondContact O-CG1 3.25Å; C899-I903 PolarHBondContact O-N 3.48Å
900V91Very high87.8Confident40 Ų4047.9 Ų47.924%0.24225%0.247CC..Hα-helixtrans-61.6-41.8176.8175.50000111.9F862 I863 V866 A896 F897 I903 E904F862-V900 HydrophobicContact CE1-CG1 4.05Å; I863-V900 HydrophobicContact CD1-CG1 3.8Å; V866-V900 HydrophobicContact CG1-CB 4.41Å; V866-V900 HydrophobicContact CG1-CG1 4.05Å; V866-V900 HydrophobicContact CG2-CG1 4.37Å; A896-V900 WeakPolarHBondContact O-CG2 3.29Å; A896-V900 PolarHBondContact O-N 3.3Å; F897-V900 PolarHBondContact O-N 2.75Å; V900-I903 PolarHBondContact O-N 2.86Å; V900-E904 PolarHBondContact O-N 3.3Å
901F89.3Confident87.6Confident2 Ų247 Ų471%0.00924%0.243CC..Hα-helixtrans-70.1-34176.2-62.3-48.5000113V866 I867 F897 T898 C899 I903 E904 M905 V934 R972V866-F901 HydrophobicContact CG1-CE1 3.96Å; V866-F901 HydrophobicContact CG1-CZ 3.86Å; I867-F901 HydrophobicContact CG1-CE1 3.82Å; I867-F901 HydrophobicContact CG1-CZ 4.02Å; F897-F901 HydrophobicContact CB-CD2 4.44Å; F897-F901 HydrophobicContact CB-CE2 4.05Å; F897-F901 WeakPolarHBondContact O-CD2 3.18Å; F897-F901 WeakPolarHBondContact O-CG 3.43Å; F897-F901 PolarHBondContact O-N 2.66Å; T898-F901 PolarHBondContact O-N 3.46Å; C899-F901 PolarHBondContact O-N 3.33Å; F901-I903 VanDerWaalsContact C-N 3.32Å; F901-E904 PolarHBondContact O-N 3.38Å; F901-M905 WeakPolarHBondContact O-CB 3.41Å; F901-M905 PolarHBondContact O-N 2.96Å; F901-V934 HydrophobicContact CB-CG2 3.71Å; F901-R972 HydrophobicContact CE2-CG 4.45Å
902A89.2Confident87.6Confident24 Ų2445.1 Ų45.120%0.19824%0.235CC..Hα-helixtrans-64.9-36.617200000111.9T898 C899 L906 V934T898-A902 WeakPolarHBondContact O-CB 3.04Å; T898-A902 PolarHBondContact O-N 3.32Å; C899-A902 PolarHBondContact O-N 2.92Å; A902-L906 VanDerWaalsContact O-CB 3.26Å; A902-L906 WeakPolarHBondContact O-CB 3.49Å; A902-L906 PolarHBondContact O-N 3.39Å; A902-V934 HydrophobicContact CB-CG1 4.1Å
903I90.7Very high87.3Confident89 Ų8938 Ų3846%0.45621%0.207SC..Hα-helixtrans-69.9-43172.9-66.2164.5000111C899 V900 F901 M905 L906 L907C899-I903 WeakPolarHBondContact O-CG1 3.25Å; C899-I903 PolarHBondContact O-N 3.48Å; V900-I903 PolarHBondContact O-N 2.86Å; F901-I903 VanDerWaalsContact C-N 3.32Å; I903-M905 VanDerWaalsContact C-N 3.33Å; I903-M905 PolarHBondContact O-N 3.36Å; I903-L906 PolarHBondContact O-N 2.78Å; I903-L907 HydrophobicContact CG2-CD1 3.88Å; I903-L907 HydrophobicContact CG2-CG 4.24Å; I903-L907 WeakPolarHBondContact O-CB 3.43Å; I903-L907 VanDerWaalsContact O-CG 3.27Å; I903-L907 WeakPolarHBondContact O-CG 3.29Å; I903-L907 PolarHBondContact O-N 2.97Å
904E88.9Confident86.9Confident2 Ų235.6 Ų35.61%0.00920%0.202CC..Hα-helixtrans-54.1-50.1172.5-179.7-173.5-167.300110.7F859 I863 V900 F901 K908 K975 R979F859-E904 HydrophobicContact CZ-CG 4.35Å; I863-E904 HydrophobicContact CD1-CB 4.26Å; I863-E904 HydrophobicContact CD1-CG 4.46Å; I863-E904 WeakPolarHBondContact CG2-OE2 3.39Å; V900-E904 PolarHBondContact O-N 3.3Å; F901-E904 PolarHBondContact O-N 3.38Å; E904-K908 VanDerWaalsContact CD-NZ 3.28Å; E904-K908 HydrophobicContact CG-CD 4.29Å; E904-K908 VanDerWaalsContact CG-CE 3.5Å; E904-K908 VanDerWaalsContact O-CG 3.32Å; E904-K908 WeakPolarHBondContact O-CG 3.42Å; E904-K908 PolarHBondContact O-N 3.2Å; E904-K908 WeakPolarHBondContact OE1-CE 3.26Å; E904-K908 IonicContact OE1-NZ 2.68Å; E904-K908 PolarHBondContact OE1-NZ 2.85Å; E904-K975 IonicContact OE2-NZ 3.78Å; E904-K975 PolarHBondContact OE2-NZ 3.41Å; E904-R979 IonicContact OE1-NH2 3.15Å; E904-R979 PolarHBondContact OE1-NH2 3.47Å
905M88Confident86.8Confident29 Ų2941.2 Ų41.214%0.14323%0.226CC..Hα-helixtrans-62-48178.2-175.4-173.772.800111.5F901 I903 L907 K908 L909 Y921 A931 V934F901-M905 WeakPolarHBondContact O-CB 3.41Å; F901-M905 PolarHBondContact O-N 2.96Å; I903-M905 VanDerWaalsContact C-N 3.33Å; I903-M905 PolarHBondContact O-N 3.36Å; M905-L907 PolarHBondContact O-N 3.3Å; M905-K908 PolarHBondContact O-N 3.34Å; M905-L909 HydrophobicContact CE-CD1 4.28Å; M905-L909 HydrophobicContact CG-CD1 3.75Å; M905-L909 HydrophobicContact CG-CG 4.31Å; M905-L909 WeakPolarHBondContact O-CB 3.38Å; M905-L909 VanDerWaalsContact O-CG 3.25Å; M905-L909 WeakPolarHBondContact O-CG 3.37Å; M905-L909 PolarHBondContact O-N 3.07Å; M905-L909 HydrophobicContact SD-CD1 4.37Å; M905-Y921 HydrophobicContact CG-CE1 4.21Å; M905-A931 HydrophobicContact SD-CB 4.45Å; M905-V934 HydrophobicContact CE-CG1 3.77Å; M905-V934 HydrophobicContact SD-CB 3.99Å; M905-V934 HydrophobicContact SD-CG1 3.83Å
906L89.1Confident86.1Confident94 Ų9444.1 Ų44.149%0.49224%0.243SC..Hα-helixtrans-62.8-43.6-178.8-178.361.9000112.3A902 I903 K908 L909 I910A902-L906 VanDerWaalsContact O-CB 3.26Å; A902-L906 WeakPolarHBondContact O-CB 3.49Å; A902-L906 PolarHBondContact O-N 3.39Å; I903-L906 PolarHBondContact O-N 2.78Å; L906-K908 PolarHBondContact O-N 3.19Å; L906-L909 PolarHBondContact O-N 2.82Å; L906-I910 HydrophobicContact CD1-CD1 3.98Å; L906-I910 HydrophobicContact CD1-CG1 4.32Å; L906-I910 HydrophobicContact CG-CD1 3.95Å; L906-I910 WeakPolarHBondContact O-CG1 3.37Å; L906-I910 PolarHBondContact O-N 2.75Å
907L88.6Confident85.4Confident27 Ų2742.5 Ų42.514%0.14123%0.227CC..Hα-helixtrans-60.6-45.1177-71.4171.7000111.6C850 V853 V854 F859 I903 M905 I910 D911C850-L907 HydrophobicContact CB-CD2 4.07Å; V853-L907 HydrophobicContact CG1-CD1 3.95Å; V854-L907 HydrophobicContact CG2-CB 3.81Å; F859-L907 HydrophobicContact CE2-CD1 4.15Å; F859-L907 HydrophobicContact CZ-CD1 4.43Å; I903-L907 HydrophobicContact CG2-CD1 3.88Å; I903-L907 HydrophobicContact CG2-CG 4.24Å; I903-L907 WeakPolarHBondContact O-CB 3.43Å; I903-L907 VanDerWaalsContact O-CG 3.27Å; I903-L907 WeakPolarHBondContact O-CG 3.29Å; I903-L907 PolarHBondContact O-N 2.97Å; M905-L907 PolarHBondContact O-N 3.3Å; L907-I910 PolarHBondContact O-N 3.31Å; L907-D911 WeakPolarHBondContact O-CB 2.95Å; L907-D911 PolarHBondContact O-N 3.41Å
908K87.3Confident84.4Confident26 Ų2644.3 Ų44.311%0.11324%0.242CC..Hα-helixtrans-67.6-35.9176.4-67173-172.2170.60112.8E904 M905 L906 D911 L912 Y921 D930E904-K908 VanDerWaalsContact CD-NZ 3.28Å; E904-K908 HydrophobicContact CG-CD 4.29Å; E904-K908 VanDerWaalsContact CG-CE 3.5Å; E904-K908 VanDerWaalsContact O-CG 3.32Å; E904-K908 WeakPolarHBondContact O-CG 3.42Å; E904-K908 PolarHBondContact O-N 3.2Å; E904-K908 WeakPolarHBondContact OE1-CE 3.26Å; E904-K908 IonicContact OE1-NZ 2.68Å; E904-K908 PolarHBondContact OE1-NZ 2.85Å; M905-K908 PolarHBondContact O-N 3.34Å; L906-K908 PolarHBondContact O-N 3.19Å; K908-D911 PolarHBondContact O-N 3.47Å; K908-L912 WeakPolarHBondContact O-CB 3.41Å; K908-L912 PolarHBondContact O-N 2.9Å; K908-Y921 HydrophobicContact CB-CD2 3.76Å; K908-Y921 HydrophobicContact CB-CE2 3.71Å; K908-Y921 HydrophobicContact CD-CD2 4.36Å; K908-Y921 HydrophobicContact CD-CE2 3.68Å; K908-Y921 HydrophobicContact CG-CE2 4.4Å; K908-D930 IonicContact NZ-OD2 2.66Å; K908-D930 PolarHBondContact NZ-OD2 3.17Å; K908-D930 VanDerWaalsContact NZ-OD2 3.13Å
909L87.2Confident83.7Confident30 Ų3048.4 Ų48.416%0.15726%0.257CS..Hα-helixtrans-68.3-33.5176-76.7170.7000112.6M905 L906 G913 V914 Y921M905-L909 HydrophobicContact CE-CD1 4.28Å; M905-L909 HydrophobicContact CG-CD1 3.75Å; M905-L909 HydrophobicContact CG-CG 4.31Å; M905-L909 WeakPolarHBondContact O-CB 3.38Å; M905-L909 VanDerWaalsContact O-CG 3.25Å; M905-L909 WeakPolarHBondContact O-CG 3.37Å; M905-L909 PolarHBondContact O-N 3.07Å; M905-L909 HydrophobicContact SD-CD1 4.37Å; L906-L909 PolarHBondContact O-N 2.82Å; L909-G913 WeakPolarHBondContact O-CA 3.28Å; L909-G913 PolarHBondContact O-N 2.94Å; L909-G913 VanDerWaalsContact O-N 3.1Å; L909-V914 HydrophobicContact CD2-CG2 4.3Å; L909-Y921 HydrophobicContact CD2-CD1 3.52Å; L909-Y921 HydrophobicContact CD2-CE1 4.2Å; L909-Y921 HydrophobicContact CD2-CG 3.74Å; L909-Y921 HydrophobicContact CG-CD1 4.15Å; L909-Y921 HydrophobicContact CG-CE1 4.44Å; L909-Y921 HydrophobicContact CG-CG 4.3Å
910I85.5Confident83.2Confident19 Ų1945 Ų4510%0.09723%0.234CC..Hα-helixtrans-75.4-39.3173.9-67.4166.2000110.9S836 F840 R847 C850 L906 L907S836-I910 VanDerWaalsContact CB-O 3.28Å; S836-I910 WeakPolarHBondContact CB-O 3.12Å; S836-I910 PolarHBondContact OG-O 3.5Å; F840-I910 HydrophobicContact CD2-CG2 4.4Å; R847-I910 HydrophobicContact CB-CG2 4.46Å; R847-I910 HydrophobicContact CG-CG2 4.34Å; C850-I910 HydrophobicContact CB-CB 4.46Å; C850-I910 HydrophobicContact CB-CG2 4.11Å; L906-I910 HydrophobicContact CD1-CD1 3.98Å; L906-I910 HydrophobicContact CD1-CG1 4.32Å; L906-I910 HydrophobicContact CG-CD1 3.95Å; L906-I910 WeakPolarHBondContact O-CG1 3.37Å; L906-I910 PolarHBondContact O-N 2.75Å; L907-I910 PolarHBondContact O-N 3.31Å
911D83.8Confident82.9Confident8 Ų843.2 Ų43.24%0.04322%0.223CC..Hα-helixtrans-70.4-60.4-179.7-175.725.9000112.5R847 H851 L907 K908R847-D911 VanDerWaalsContact CZ-O 3.31Å; R847-D911 PolarHBondContact NE-O 3.33Å; R847-D911 PolarHBondContact NH2-O 3.27Å; H851-D911 WeakPolarHBondContact CB-OD1 3.4Å; H851-D911 IonicContact CD2-OD1 2.88Å; H851-D911 PolarHBondContact CD2-OD1 2.91Å; H851-D911 VanDerWaalsContact CD2-OD1 3.24Å; H851-D911 IonicContact CD2-OD2 3.36Å; H851-D911 PolarHBondContact CD2-OD2 3.2Å; H851-D911 IonicContact CG-OD1 2.78Å; L907-D911 WeakPolarHBondContact O-CB 2.95Å; L907-D911 PolarHBondContact O-N 3.41Å; K908-D911 PolarHBondContact O-N 3.47Å
912L81.5Confident82.5Confident38 Ų3845.3 Ų45.320%0.19924%0.237CC..THydrogen-bonded Turntrans-74.7-63.3179.9-56.7175.7000110.4L832 K908 H917 Y921L832-L912 HydrophobicContact CD1-CD2 3.76Å; K908-L912 WeakPolarHBondContact O-CB 3.41Å; K908-L912 PolarHBondContact O-N 2.9Å; L912-H917 PolarHBondContact O-CE1 3.47Å; L912-H917 PolarHBondContact O-NE2 3.02Å; L912-Y921 HydrophobicContact CD1-CD2 4.4Å
913G80.9Confident82.1Confident1 Ų150.9 Ų50.91%0.0125%0.253CS..  trans108.1163.2-168.700000113L909 Y921L909-G913 WeakPolarHBondContact O-CA 3.28Å; L909-G913 PolarHBondContact O-N 2.94Å; L909-G913 VanDerWaalsContact O-N 3.1Å; G913-Y921 WeakPolarHBondContact O-CB 3.32Å; G913-Y921 PolarHBondContact O-N 3.25Å
914V81.3Confident81.5Confident67 Ų6748.5 Ų48.541%0.40624%0.241SC..SBendtrans-74.4-62.2-161.4-1660000114.4M837 L909 S920 C922M837-V914 HydrophobicContact CG-CG2 4.38Å; L909-V914 HydrophobicContact CD2-CG2 4.3Å; V914-S920 WeakPolarHBondContact O-CB 3.48Å; V914-C922 WeakPolarHBondContact O-CB 3.48Å; V914-C922 PolarHBondContact O-N 3.24Å; V914-C922 VanDerWaalsContact O-N 3.17Å
915F81.8Confident81.1Confident134 Ų13453.3 Ų53.359%0.58827%0.271SS*.SBendtrans-142.7-23.7-166.1-167.8-95.1000116.2H917 S920 R923F915-H917 VanDerWaalsContact C-N 3.31Å; F915-H917 PolarHBondContact O-N 3.25Å; F915-H917 VanDerWaalsContact O-N 3.13Å; F915-S920 WeakPolarHBondContact CA-OG 3.46Å; F915-S920 PolarHBondContact O-OG 3.1Å; F915-R923 PolarHBondContact O-NH1 3.25Å
916L70.9Confident80.8Confident129 Ų12954.6 Ų54.668%0.67527%0.274SS*.SBendtrans-74.8-1.6-162-97.799.6000117.4F838F838-L916 HydrophobicContact CE1-CD2 3.96Å; F838-L916 HydrophobicContact CE2-CD1 3.82Å; F838-L916 HydrophobicContact CE2-CD2 4.44Å; F838-L916 HydrophobicContact CZ-CD1 3.7Å; F838-L916 HydrophobicContact CZ-CD2 3.5Å; F838-L916 VanDerWaalsContact CZ-CD2 3.5Å; F838-L916 HydrophobicContact CZ-CG 4.25Å
917H74.4Confident80.5Confident17 Ų1750.7 Ų50.78%0.07925%0.253CS..SBendtrans-143.9160.5-174.155.8-88.5000110.6Y834 L912 F915 Y919 S920 R923Y834-H917 HydrophobicContact CD2-CB 4.46Å; L912-H917 PolarHBondContact O-CE1 3.47Å; L912-H917 PolarHBondContact O-NE2 3.02Å; F915-H917 VanDerWaalsContact C-N 3.31Å; F915-H917 PolarHBondContact O-N 3.25Å; F915-H917 VanDerWaalsContact O-N 3.13Å; H917-Y919 VanDerWaalsContact C-N 3.26Å; H917-Y919 PolarHBondContact O-N 2.66Å; H917-S920 PolarHBondContact CD2-N 3.31Å; H917-S920 VanDerWaalsContact CD2-N 3.29Å; H917-S920 VanDerWaalsContact NE2-CA 3.3Å; H917-S920 WeakPolarHBondContact NE2-CA 3.12Å; H917-S920 PolarHBondContact NE2-N 3.12Å; H917-S920 WeakPolarHBondContact O-CB 3.36Å; H917-S920 PolarHBondContact O-N 3.05Å; H917-S920 VanDerWaalsContact O-N 3.09Å; H917-S920 PolarHBondContact O-OG 3.04Å; H917-R923 PolarHBondContact O-NH1 3.05Å
918P69.3Low80.3Confident70 Ų7054 Ų5446%0.45527%0.271SS..THydrogen-bonded Turntrans-60-31.8-17317.3-30.4000114.5S920 R923P918-S920 VanDerWaalsContact C-N 3.35Å; P918-R923 WeakPolarHBondContact O-CD 3.36Å
919Y70.4Confident80Confident99 Ų9954.6 Ų54.639%0.38828%0.275SS..THydrogen-bonded Turntrans-90.512.2179.2-52.7-88.4000114.4Q818 L832 H917Q818-Y919 HydrophobicContact CG-CE1 3.81Å; L832-Y919 HydrophobicContact CD2-CD2 3.88Å; L832-Y919 HydrophobicContact CD2-CG 3.93Å; H917-Y919 VanDerWaalsContact C-N 3.26Å; H917-Y919 PolarHBondContact O-N 2.66Å
920S77.6Confident79.7Confident1 Ų153.3 Ų53.31%0.00727%0.269CS..  trans-66.5146.8-174.664.60000112.4V914 F915 H917 P918 C922 R923V914-S920 WeakPolarHBondContact O-CB 3.48Å; F915-S920 WeakPolarHBondContact CA-OG 3.46Å; F915-S920 PolarHBondContact O-OG 3.1Å; H917-S920 PolarHBondContact CD2-N 3.31Å; H917-S920 VanDerWaalsContact CD2-N 3.29Å; H917-S920 VanDerWaalsContact NE2-CA 3.3Å; H917-S920 WeakPolarHBondContact NE2-CA 3.12Å; H917-S920 PolarHBondContact NE2-N 3.12Å; H917-S920 WeakPolarHBondContact O-CB 3.36Å; H917-S920 PolarHBondContact O-N 3.05Å; H917-S920 VanDerWaalsContact O-N 3.09Å; H917-S920 PolarHBondContact O-OG 3.04Å; P918-S920 VanDerWaalsContact C-N 3.35Å; S920-C922 VanDerWaalsContact C-N 3.27Å; S920-C922 PolarHBondContact O-N 3.12Å; S920-C922 VanDerWaalsContact O-N 3.07Å; S920-R923 PolarHBondContact O-N 2.91Å
921Y84.9Confident79.7Confident2 Ų253 Ų531%0.00827%0.269CS..G310 helixtrans-46.5-46.1-174.7-176.3-97.5000113.3M905 K908 L909 L912 G913 R923 N927 D930 A931M905-Y921 HydrophobicContact CG-CE1 4.21Å; K908-Y921 HydrophobicContact CB-CD2 3.76Å; K908-Y921 HydrophobicContact CB-CE2 3.71Å; K908-Y921 HydrophobicContact CD-CD2 4.36Å; K908-Y921 HydrophobicContact CD-CE2 3.68Å; K908-Y921 HydrophobicContact CG-CE2 4.4Å; L909-Y921 HydrophobicContact CD2-CD1 3.52Å; L909-Y921 HydrophobicContact CD2-CE1 4.2Å; L909-Y921 HydrophobicContact CD2-CG 3.74Å; L909-Y921 HydrophobicContact CG-CD1 4.15Å; L909-Y921 HydrophobicContact CG-CE1 4.44Å; L909-Y921 HydrophobicContact CG-CG 4.3Å; L912-Y921 HydrophobicContact CD1-CD2 4.4Å; G913-Y921 WeakPolarHBondContact O-CB 3.32Å; G913-Y921 PolarHBondContact O-N 3.25Å; Y921-R923 VanDerWaalsContact C-N 3.31Å; Y921-R923 PolarHBondContact O-N 3.41Å; Y921-N927 HydrophobicContact CD1-CB 4.2Å; Y921-N927 HydrophobicContact CD2-CB 3.82Å; Y921-N927 HydrophobicContact CE1-CB 4.05Å; Y921-N927 WeakPolarHBondContact CE1-O 3.15Å; Y921-N927 HydrophobicContact CE2-CB 3.62Å; Y921-N927 HydrophobicContact CG-CB 4.11Å; Y921-N927 WeakPolarHBondContact O-CB 3.42Å; Y921-N927 PolarHBondContact O-ND2 3.38Å; Y921-N927 PolarHBondContact OH-O 3.29Å; Y921-D930 WeakPolarHBondContact OH-CB 3.37Å; Y921-D930 PolarHBondContact OH-OD2 3.39Å; Y921-D930 VanDerWaalsContact OH-OD2 3.13Å; Y921-A931 HydrophobicContact CE1-CB 4.18Å
922C81.7Confident79.6Confident46 Ų4655.1 Ų55.131%0.31129%0.287SS..G310 helixtrans-76.8-4.2-177-61.70000115.8V914 S920V914-C922 WeakPolarHBondContact O-CB 3.48Å; V914-C922 PolarHBondContact O-N 3.24Å; V914-C922 VanDerWaalsContact O-N 3.17Å; S920-C922 VanDerWaalsContact C-N 3.27Å; S920-C922 PolarHBondContact O-N 3.12Å; S920-C922 VanDerWaalsContact O-N 3.07Å
923R81.1Confident79.6Confident140 Ų14053.6 Ų53.653%0.52828%0.28SS..G310 helixtrans-85.6-20.5174.5-90-172.6164.993.33.2113.5F915 H917 P918 S920 Y921F915-R923 PolarHBondContact O-NH1 3.25Å; H917-R923 PolarHBondContact O-NH1 3.05Å; P918-R923 WeakPolarHBondContact O-CD 3.36Å; S920-R923 PolarHBondContact O-N 2.91Å; Y921-R923 VanDerWaalsContact C-N 3.31Å; Y921-R923 PolarHBondContact O-N 3.41Å
924D78Confident79.9Confident39 Ų3953.7 Ų53.721%0.20928%0.28CS..SBendtrans-87.3117.7177.3174.5-11000109.4W926 N927 L928 R978D924-W926 PolarHBondContact O-N 2.81Å; D924-W926 VanDerWaalsContact O-N 3.13Å; D924-W926 WeakPolarHBondContact OD1-CB 3.33Å; D924-W926 PolarHBondContact OD1-N 3.05Å; D924-N927 HydrophobicContact CB-CB 4.07Å; D924-N927 WeakPolarHBondContact O-CB 3.42Å; D924-N927 PolarHBondContact O-N 2.82Å; D924-N927 PolarHBondContact OD2-ND2 2.97Å; D924-N927 VanDerWaalsContact OD2-ND2 3.16Å; D924-L928 PolarHBondContact O-N 3.33Å; D924-R978 IonicContact OD1-CZ 3.51Å; D924-R978 IonicContact OD1-NH1 3.4Å; D924-R978 PolarHBondContact OD1-NH1 3.44Å; D924-R978 IonicContact OD2-CZ 3.4Å; D924-R978 IonicContact OD2-NH1 3.96Å; D924-R978 PolarHBondContact OD2-NH1 3.46Å; D924-R978 IonicContact OD2-NH2 2.69Å; D924-R978 PolarHBondContact OD2-NH2 3.39Å
925T80.9Confident80Confident104 Ų10454.6 Ų54.664%0.63828%0.282SS*.Hα-helixtrans-58.7-28.2-175.754.20000113.1L929T925-L929 PolarHBondContact O-N 3.39Å; T925-L929 VanDerWaalsContact O-N 3.12Å
926W81.3Confident79.9Confident56 Ų5648.5 Ų48.521%0.21226%0.256CS..Hα-helixtrans-77.2-32.6177.7-62.895.4000112.4D924 D930 L974 I977 R978 F987D924-W926 PolarHBondContact O-N 2.81Å; D924-W926 VanDerWaalsContact O-N 3.13Å; D924-W926 WeakPolarHBondContact OD1-CB 3.33Å; D924-W926 PolarHBondContact OD1-N 3.05Å; W926-D930 WeakPolarHBondContact O-CB 3.17Å; W926-D930 PolarHBondContact O-N 2.78Å; W926-D930 VanDerWaalsContact O-N 3.1Å; W926-L974 HydrophobicContact CZ3-CB 4.29Å; W926-L974 VanDerWaalsContact CZ3-O 3.3Å; W926-L974 WeakPolarHBondContact CZ3-O 3.43Å; W926-I977 HydrophobicContact CH2-CB 4.05Å; W926-I977 HydrophobicContact CH2-CD1 4.43Å; W926-I977 HydrophobicContact CH2-CG2 4.13Å; W926-R978 HydrophobicContact CD2-CB 4.34Å; W926-F987 HydrophobicContact CZ2-CE1 4.34Å
927N83Confident80.3Confident11 Ų1142.4 Ų42.46%0.05923%0.225CC..Hα-helixtrans-74.9-30.8172.4-69.8-17.4000111.3Y921 D924 D930 A931 R978Y921-N927 HydrophobicContact CD1-CB 4.2Å; Y921-N927 HydrophobicContact CD2-CB 3.82Å; Y921-N927 HydrophobicContact CE1-CB 4.05Å; Y921-N927 WeakPolarHBondContact CE1-O 3.15Å; Y921-N927 HydrophobicContact CE2-CB 3.62Å; Y921-N927 HydrophobicContact CG-CB 4.11Å; Y921-N927 WeakPolarHBondContact O-CB 3.42Å; Y921-N927 PolarHBondContact O-ND2 3.38Å; Y921-N927 PolarHBondContact OH-O 3.29Å; D924-N927 HydrophobicContact CB-CB 4.07Å; D924-N927 WeakPolarHBondContact O-CB 3.42Å; D924-N927 PolarHBondContact O-N 2.82Å; D924-N927 PolarHBondContact OD2-ND2 2.97Å; D924-N927 VanDerWaalsContact OD2-ND2 3.16Å; N927-D930 WeakPolarHBondContact O-CB 3.46Å; N927-D930 PolarHBondContact O-N 2.78Å; N927-A931 PolarHBondContact O-N 3.44Å; N927-R978 PolarHBondContact OD1-NH1 3.27Å
928L84.2Confident80.7Confident96 Ų9645.2 Ų45.250%0.50324%0.24SC..Hα-helixtrans-66.3-40.1172.2-17462.6000111.8D924 A931 A932D924-L928 PolarHBondContact O-N 3.33Å; L928-A931 PolarHBondContact O-N 2.93Å; L928-A932 PolarHBondContact O-N 3.22Å
929L81Confident81.2Confident40 Ų4046 Ų4621%0.20924%0.24CC..Hα-helixtrans-62.7-44.3171.3-174.7156.1000111.4T925 A931 A932 V933 L971 L974T925-L929 PolarHBondContact O-N 3.39Å; T925-L929 VanDerWaalsContact O-N 3.12Å; L929-A931 PolarHBondContact O-N 3.38Å; L929-A932 PolarHBondContact O-N 3.36Å; L929-V933 HydrophobicContact CD2-CG2 4.14Å; L929-V933 WeakPolarHBondContact O-CG2 3.37Å; L929-V933 PolarHBondContact O-N 2.83Å; L929-L971 HydrophobicContact CD2-CB 4.32Å; L929-L974 HydrophobicContact CD1-CD1 4.19Å
930D81.2Confident81.2Confident3 Ų342.1 Ų42.12%0.01623%0.227CC..Hα-helixtrans-55.5-50.2175-168.916000111.3K908 Y921 W926 N927 A932 V933 V934 K975K908-D930 IonicContact NZ-OD2 2.66Å; K908-D930 PolarHBondContact NZ-OD2 3.17Å; K908-D930 VanDerWaalsContact NZ-OD2 3.13Å; Y921-D930 WeakPolarHBondContact OH-CB 3.37Å; Y921-D930 PolarHBondContact OH-OD2 3.39Å; Y921-D930 VanDerWaalsContact OH-OD2 3.13Å; W926-D930 WeakPolarHBondContact O-CB 3.17Å; W926-D930 PolarHBondContact O-N 2.78Å; W926-D930 VanDerWaalsContact O-N 3.1Å; N927-D930 WeakPolarHBondContact O-CB 3.46Å; N927-D930 PolarHBondContact O-N 2.78Å; D930-A932 PolarHBondContact O-N 3.39Å; D930-V933 PolarHBondContact O-N 2.65Å; D930-V934 WeakPolarHBondContact O-CG2 3.49Å; D930-V934 PolarHBondContact O-N 3.46Å; D930-K975 WeakPolarHBondContact OD1-CE 3.28Å; D930-K975 IonicContact OD1-NZ 2.68Å; D930-K975 PolarHBondContact OD1-NZ 3.05Å; D930-K975 IonicContact OD2-NZ 2.84Å
931A84.4Confident81Confident12 Ų1246.6 Ų46.610%0.09925%0.246CC..Hα-helixtrans-57.3-45.6174.400000112.9M905 Y921 N927 L928 L929 V933 V934 I935M905-A931 HydrophobicContact SD-CB 4.45Å; Y921-A931 HydrophobicContact CE1-CB 4.18Å; N927-A931 PolarHBondContact O-N 3.44Å; L928-A931 PolarHBondContact O-N 2.93Å; L929-A931 PolarHBondContact O-N 3.38Å; A931-V933 VanDerWaalsContact C-N 3.34Å; A931-V933 PolarHBondContact O-N 3.15Å; A931-V934 PolarHBondContact O-N 3.36Å; A931-I935 HydrophobicContact CB-CD1 4.3Å; A931-I935 VanDerWaalsContact O-CB 3.26Å; A931-I935 WeakPolarHBondContact O-CB 3.08Å; A931-I935 WeakPolarHBondContact O-CD1 3.33Å; A931-I935 WeakPolarHBondContact O-CG1 3.48Å; A931-I935 PolarHBondContact O-N 3.05Å
932A82.7Confident80.6Confident53 Ų5353.3 Ų53.344%0.43828%0.276SS..Hα-helixtrans-61.2-41.5-179.900000112.3L928 L929 D930 G936L928-A932 PolarHBondContact O-N 3.22Å; L929-A932 PolarHBondContact O-N 3.36Å; D930-A932 PolarHBondContact O-N 3.39Å; A932-G936 PolarHBondContact O-N 2.84Å
933V80.6Confident80Confident6 Ų654.3 Ų54.34%0.03627%0.273CS..Hα-helixtrans-66.3-44.2176.7174.70000111.5L929 D930 A931 A937 L971 R972L929-V933 HydrophobicContact CD2-CG2 4.14Å; L929-V933 WeakPolarHBondContact O-CG2 3.37Å; L929-V933 PolarHBondContact O-N 2.83Å; D930-V933 PolarHBondContact O-N 2.65Å; A931-V933 VanDerWaalsContact C-N 3.34Å; A931-V933 PolarHBondContact O-N 3.15Å; V933-A937 WeakPolarHBondContact O-CB 3.15Å; V933-A937 PolarHBondContact O-N 3.34Å; V933-A937 VanDerWaalsContact O-N 3.12Å; V933-L971 HydrophobicContact CG2-CB 4.18Å; V933-R972 HydrophobicContact CG1-CG 3.93Å
934V86.7Confident79.3Confident2 Ų249.5 Ų49.51%0.01226%0.263CS..Hα-helixtrans-67.7-46.6179.4173.80000111.3F901 A902 M905 D930 A931 A937 L938F901-V934 HydrophobicContact CB-CG2 3.71Å; A902-V934 HydrophobicContact CB-CG1 4.1Å; M905-V934 HydrophobicContact CE-CG1 3.77Å; M905-V934 HydrophobicContact SD-CB 3.99Å; M905-V934 HydrophobicContact SD-CG1 3.83Å; D930-V934 WeakPolarHBondContact O-CG2 3.49Å; D930-V934 PolarHBondContact O-N 3.46Å; A931-V934 PolarHBondContact O-N 3.36Å; V934-A937 PolarHBondContact O-N 2.92Å; V934-L938 HydrophobicContact CG1-CD1 3.88Å; V934-L938 HydrophobicContact CG1-CG 4.39Å; V934-L938 WeakPolarHBondContact O-CG 3.34Å; V934-L938 PolarHBondContact O-N 3.21Å
935I84.8Confident78.9Confident87 Ų8756 Ų5645%0.44629%0.286SS..Hα-helixtrans-64.1-44.2179.5-68166.1000110.7A931 A937 L938 I939A931-I935 HydrophobicContact CB-CD1 4.3Å; A931-I935 VanDerWaalsContact O-CB 3.26Å; A931-I935 WeakPolarHBondContact O-CB 3.08Å; A931-I935 WeakPolarHBondContact O-CD1 3.33Å; A931-I935 WeakPolarHBondContact O-CG1 3.48Å; A931-I935 PolarHBondContact O-N 3.05Å; I935-A937 VanDerWaalsContact C-N 3.33Å; I935-A937 PolarHBondContact O-N 2.81Å; I935-L938 PolarHBondContact O-N 2.86Å; I935-I939 HydrophobicContact CG2-CD1 3.76Å; I935-I939 HydrophobicContact CG2-CG1 4.38Å; I935-I939 VanDerWaalsContact O-CG1 3.3Å; I935-I939 WeakPolarHBondContact O-CG1 3.12Å; I935-I939 PolarHBondContact O-N 3.11Å
936G79Confident78.3Confident5 Ų554.2 Ų54.25%0.05228%0.275CS..Hα-helixtrans-59.6-41.5175.400000112.8A932 S940A932-G936 PolarHBondContact O-N 2.84Å; G936-S940 PolarHBondContact O-N 3.08Å; G936-S940 VanDerWaalsContact O-N 3.09Å
937A79.4Confident77.2Confident2 Ų256.1 Ų56.12%0.01729%0.289CS..Hα-helixtrans-67.4-40.6175.800000112.8T898 V933 V934 I935 S940 F941T898-A937 HydrophobicContact CG2-CB 3.6Å; V933-A937 WeakPolarHBondContact O-CB 3.15Å; V933-A937 PolarHBondContact O-N 3.34Å; V933-A937 VanDerWaalsContact O-N 3.12Å; V934-A937 PolarHBondContact O-N 2.92Å; I935-A937 VanDerWaalsContact C-N 3.33Å; I935-A937 PolarHBondContact O-N 2.81Å; A937-S940 WeakPolarHBondContact O-CB 3.22Å; A937-S940 PolarHBondContact O-N 3.34Å; A937-F941 PolarHBondContact O-N 2.86Å
938L82.1Confident76Confident75 Ų7563.9 Ų63.939%0.39332%0.322SS..Hα-helixtrans-65.4-39.8175.5-72.6171.6000112.5V934 I935 S940 F941 F942V934-L938 HydrophobicContact CG1-CD1 3.88Å; V934-L938 HydrophobicContact CG1-CG 4.39Å; V934-L938 WeakPolarHBondContact O-CG 3.34Å; V934-L938 PolarHBondContact O-N 3.21Å; I935-L938 PolarHBondContact O-N 2.86Å; L938-S940 VanDerWaalsContact C-N 3.35Å; L938-F941 PolarHBondContact O-N 3.41Å; L938-F942 WeakPolarHBondContact O-CB 3.46Å; L938-F942 PolarHBondContact O-N 2.9Å
939I79.2Confident74.5Confident88 Ų8862.9 Ų62.945%0.45134%0.335SS..Hα-helixtrans-61.3-44.4173.6-70.3166.3000110.4I935 F941 F942 R943 L965I935-I939 HydrophobicContact CG2-CD1 3.76Å; I935-I939 HydrophobicContact CG2-CG1 4.38Å; I935-I939 VanDerWaalsContact O-CG1 3.3Å; I935-I939 WeakPolarHBondContact O-CG1 3.12Å; I935-I939 PolarHBondContact O-N 3.11Å; I939-F941 PolarHBondContact O-N 3.04Å; I939-F942 PolarHBondContact O-N 3.14Å; I939-R943 WeakPolarHBondContact O-CB 3.34Å; I939-R943 PolarHBondContact O-N 3.38Å; I939-L965 HydrophobicContact CG2-CD1 4.09Å
940S72.3Confident73Confident17 Ų1771.5 Ų71.512%0.11937%0.365CS..Hα-helixtrans-61-42.9175.5-173.40000112.2G936 A937 L938 A944G936-S940 PolarHBondContact O-N 3.08Å; G936-S940 VanDerWaalsContact O-N 3.09Å; A937-S940 WeakPolarHBondContact O-CB 3.22Å; A937-S940 PolarHBondContact O-N 3.34Å; L938-S940 VanDerWaalsContact C-N 3.35Å; S940-A944 WeakPolarHBondContact O-CB 3.16Å; S940-A944 PolarHBondContact O-N 3.02Å
941F73.5Confident70.9Confident94 Ų9476.3 Ų76.341%0.41241%0.405SS..Hα-helixtrans-66.7-47.4178.4-179.2-96.9000112H895 A937 L938 I939 R943 A944 Y945H895-F941 AromaticContact CD2-CE2 3.8Å; H895-F941 AromaticContact CE1-CD2 3.99Å; H895-F941 AromaticContact NE2-CD2 3.86Å; H895-F941 AromaticContact NE2-CE2 3.69Å; A937-F941 PolarHBondContact O-N 2.86Å; L938-F941 PolarHBondContact O-N 3.41Å; I939-F941 PolarHBondContact O-N 3.04Å; F941-R943 VanDerWaalsContact C-N 3.32Å; F941-R943 PolarHBondContact O-N 3.12Å; F941-A944 PolarHBondContact O-N 3.47Å; F941-Y945 PolarHBondContact O-N 3.11Å
942F75.6Confident68.6Low143 Ų14379.3 Ų79.363%0.62744%0.436SS*.Hα-helixtrans-60.1-42.2178.1-174.2-96.9000111.6L938 I939 Y945 T946L938-F942 WeakPolarHBondContact O-CB 3.46Å; L938-F942 PolarHBondContact O-N 2.9Å; I939-F942 PolarHBondContact O-N 3.14Å; F942-Y945 PolarHBondContact O-N 3.43Å; F942-T946 HydrophobicContact CD1-CG2 4.17Å; F942-T946 HydrophobicContact CD2-CG2 4.38Å; F942-T946 HydrophobicContact CE1-CG2 3.81Å; F942-T946 HydrophobicContact CE2-CG2 4.04Å; F942-T946 HydrophobicContact CG-CG2 4.45Å; F942-T946 HydrophobicContact CZ-CG2 3.74Å; F942-T946 WeakPolarHBondContact O-CB 3.47Å; F942-T946 WeakPolarHBondContact O-CG2 3.49Å; F942-T946 PolarHBondContact O-N 3.42Å; F942-T946 PolarHBondContact O-OG1 2.99Å
943R68.5Low66.3Low68 Ų6886.6 Ų86.626%0.25746%0.461SS..Hα-helixtrans-66-38.2176.1-163.3175-167.8-179.86.7112.2I939 F941 T946 L947 N958 T961I939-R943 WeakPolarHBondContact O-CB 3.34Å; I939-R943 PolarHBondContact O-N 3.38Å; F941-R943 VanDerWaalsContact C-N 3.32Å; F941-R943 PolarHBondContact O-N 3.12Å; R943-T946 PolarHBondContact O-OG1 2.93Å; R943-L947 HydrophobicContact CG-CD1 4.23Å; R943-L947 WeakPolarHBondContact O-CB 3.33Å; R943-L947 WeakPolarHBondContact O-CD1 3.05Å; R943-L947 PolarHBondContact O-N 3.05Å; R943-N958 PolarHBondContact NH2-OD1 2.97Å; R943-T961 PolarHBondContact NH1-OG1 2.97Å
944A67.3Low64.4Low39 Ų3990 Ų9032%0.32250%0.498SS..Hα-helixtrans-66.7-45.317600000112.3S940 F941 K948S940-A944 WeakPolarHBondContact O-CB 3.16Å; S940-A944 PolarHBondContact O-N 3.02Å; F941-A944 PolarHBondContact O-N 3.47Å; A944-K948 WeakPolarHBondContact O-CB 3.27Å; A944-K948 PolarHBondContact O-N 2.94Å; A944-K948 VanDerWaalsContact O-N 3.13Å
945Y68.6Low62.2Low176 Ų17693.1 Ų93.169%0.6952%0.52SS*.Hα-helixtrans-68-44.9-179.7-169.1-95000112.2F941 F942 L947 K948F941-Y945 PolarHBondContact O-N 3.11Å; F942-Y945 PolarHBondContact O-N 3.43Å; Y945-L947 PolarHBondContact O-N 2.97Å; Y945-K948 PolarHBondContact O-N 3.31Å
946T68.4Low60.3Low66 Ų6693.3 Ų93.341%0.40553%0.528SS..Hα-helixtrans-69.3-28.8-179.351.70000113.9F942 R943F942-T946 HydrophobicContact CD1-CG2 4.17Å; F942-T946 HydrophobicContact CD2-CG2 4.38Å; F942-T946 HydrophobicContact CE1-CG2 3.81Å; F942-T946 HydrophobicContact CE2-CG2 4.04Å; F942-T946 HydrophobicContact CG-CG2 4.45Å; F942-T946 HydrophobicContact CZ-CG2 3.74Å; F942-T946 WeakPolarHBondContact O-CB 3.47Å; F942-T946 WeakPolarHBondContact O-CG2 3.49Å; F942-T946 PolarHBondContact O-N 3.42Å; F942-T946 PolarHBondContact O-OG1 2.99Å; R943-T946 PolarHBondContact O-OG1 2.93Å
947L58.6Low58.8Low96 Ų96102.4 Ų102.450%0.50357%0.566SS.*Hα-helixtrans-81.2-36.6174.2-93.570.4000113.4R943 Y945 G949 R950R943-L947 HydrophobicContact CG-CD1 4.23Å; R943-L947 WeakPolarHBondContact O-CB 3.33Å; R943-L947 WeakPolarHBondContact O-CD1 3.05Å; R943-L947 PolarHBondContact O-N 3.05Å; Y945-L947 PolarHBondContact O-N 2.97Å; L947-G949 PolarHBondContact O-N 3.05Å; L947-R950 PolarHBondContact O-N 3.25Å; L947-R950 VanDerWaalsContact O-N 3.13Å
948K57.5Low57.4Low173 Ų173105 Ų10575%0.75258%0.58SS**Hα-helixtrans-58.3-22.1-175.9-92.7-179.7174.8172.20114.1A944 Y945A944-K948 WeakPolarHBondContact O-CB 3.27Å; A944-K948 PolarHBondContact O-N 2.94Å; A944-K948 VanDerWaalsContact O-N 3.13Å; Y945-K948 PolarHBondContact O-N 3.31Å
949G53.6Low55.9Low75 Ų75106.2 Ų106.277%0.77359%0.587SS**THydrogen-bonded Turntrans-89.7-2179.200000116.9L947L947-G949 PolarHBondContact O-N 3.05Å
950R49.4Very low54.7Low222 Ų222105.9 Ų105.984%0.83859%0.592SS**SBendtrans-133.8111.6-175-149.2170.2-168.8138.31.3112L947L947-R950 PolarHBondContact O-N 3.25Å; L947-R950 VanDerWaalsContact O-N 3.13Å
951A37.3Very low53.8Low104 Ų104107.7 Ų107.786%0.8660%0.602SS**  trans-70.8152.6-171.800000114.1
952G34.5Very low52.9Low74 Ų74105.3 Ų105.376%0.76359%0.593SS**  trans99.2127.915500000117
953H34.9Very low52.2Low206 Ų206102.3 Ų102.395%0.95458%0.58SS**SBendtrans35.8111.9143.6-100.449.8000119.1
954G41Very low51.9Low78 Ų78102.3 Ų102.380%0.80459%0.591SS**  trans148.8-18.8150.100000119.2
955S39.8Very low51.8Low68 Ų68102.8 Ų102.848%0.47659%0.587SS.*  trans-109.721.5-165.8-133.80000116.7K957 N958S955-K957 VanDerWaalsContact C-N 3.26Å; S955-K957 PolarHBondContact O-N 3.37Å; S955-N958 WeakPolarHBondContact O-CB 3.41Å; S955-N958 PolarHBondContact O-N 3.05Å; S955-N958 PolarHBondContact OG-ND2 3.49Å
956S45.8Very low51.8Low90 Ų9098.1 Ų98.163%0.62957%0.569SS**G310 helixtrans-56.8-34.3-177.251.60000114.2N958 L959S956-N958 PolarHBondContact O-N 3.5Å; S956-L959 PolarHBondContact O-N 3.18Å; S956-L959 VanDerWaalsContact O-N 3.14Å
957K47.6Very low51.8Low196 Ų19696.6 Ų96.685%0.85256%0.559SS**G310 helixtrans-59.4-14.1176.5-65.6-170.9177.3-174.60114.5S955S955-K957 VanDerWaalsContact C-N 3.26Å; S955-K957 PolarHBondContact O-N 3.37Å
958N50.5Low52.3Low58 Ų5895.3 Ų95.331%0.3155%0.552SS.*G310 helixtrans-89.7-8.4178.8-80.3-62.8000114.9R943 S955 S956 S960 T961 I962R943-N958 PolarHBondContact NH2-OD1 2.97Å; S955-N958 WeakPolarHBondContact O-CB 3.41Å; S955-N958 PolarHBondContact O-N 3.05Å; S955-N958 PolarHBondContact OG-ND2 3.49Å; S956-N958 PolarHBondContact O-N 3.5Å; N958-S960 VanDerWaalsContact C-N 3.27Å; N958-S960 PolarHBondContact O-N 3.04Å; N958-T961 PolarHBondContact O-N 2.87Å; N958-T961 VanDerWaalsContact O-N 3.09Å; N958-T961 PolarHBondContact O-OG1 3.47Å; N958-I962 PolarHBondContact O-N 3.18Å
959L50.9Low53.1Low100 Ų10088.3 Ų88.352%0.52452%0.521SS..Hα-helixtrans-59.4-35.4-175.3-83.7161.1000113.3S956 T961 I962 K963S956-L959 PolarHBondContact O-N 3.18Å; S956-L959 VanDerWaalsContact O-N 3.14Å; L959-T961 PolarHBondContact O-N 3.17Å; L959-I962 PolarHBondContact O-N 3.28Å; L959-K963 PolarHBondContact O-N 2.88Å
960S53.8Low54.1Low81 Ų8184.8 Ų84.857%0.56649%0.485SS*.Hα-helixtrans-56.3-45.3173.853.70000112.5N958 I962 K963 S964N958-S960 VanDerWaalsContact C-N 3.27Å; N958-S960 PolarHBondContact O-N 3.04Å; S960-I962 PolarHBondContact O-N 3.46Å; S960-K963 PolarHBondContact O-N 3.06Å; S960-S964 WeakPolarHBondContact O-CB 3.45Å; S960-S964 PolarHBondContact O-N 3.45Å; S960-S964 PolarHBondContact O-OG 3.38Å
961T52.8Low55.5Low54 Ų5477 Ų7733%0.33146%0.459SS..Hα-helixtrans-67.3-21.4177.164.30000113.8R943 N958 L959 S964 L965R943-T961 PolarHBondContact NH1-OG1 2.97Å; N958-T961 PolarHBondContact O-N 2.87Å; N958-T961 VanDerWaalsContact O-N 3.09Å; N958-T961 PolarHBondContact O-OG1 3.47Å; L959-T961 PolarHBondContact O-N 3.17Å; T961-S964 WeakPolarHBondContact CA-OG 3.47Å; T961-S964 PolarHBondContact O-OG 3.09Å; T961-L965 WeakPolarHBondContact O-CD1 3.31Å; T961-L965 VanDerWaalsContact O-CG 3.31Å; T961-L965 WeakPolarHBondContact O-CG 3.32Å
962I54.9Low57.3Low44 Ų4472.2 Ų72.223%0.22642%0.419CS..Hα-helixtrans-83.2-41.2175.8-62.6177.8000110.1N958 L959 S960N958-I962 PolarHBondContact O-N 3.18Å; L959-I962 PolarHBondContact O-N 3.28Å; S960-I962 PolarHBondContact O-N 3.46Å
963K59.7Low59.2Low80 Ų8069.1 Ų69.135%0.34839%0.385SS..Hα-helixtrans-64.9-47.7173.7-68.9-165.7174.6-166.60111.6E882 L959 S960 L965 R966E882-K963 WeakPolarHBondContact OE1-CE 3.19Å; E882-K963 IonicContact OE1-NZ 2.66Å; E882-K963 PolarHBondContact OE1-NZ 3.24Å; L959-K963 PolarHBondContact O-N 2.88Å; S960-K963 PolarHBondContact O-N 3.06Å; K963-L965 VanDerWaalsContact C-N 3.3Å; K963-L965 PolarHBondContact O-N 3.46Å; K963-R966 WeakPolarHBondContact O-CB 3.48Å; K963-R966 PolarHBondContact O-N 3.25Å
964S63.6Low61.3Low68 Ų6861 Ų6148%0.47635%0.349SS..Hα-helixtrans-62.8-30.7-177.9660000114.1S960 T961 R966 V967S960-S964 WeakPolarHBondContact O-CB 3.45Å; S960-S964 PolarHBondContact O-N 3.45Å; S960-S964 PolarHBondContact O-OG 3.38Å; T961-S964 WeakPolarHBondContact CA-OG 3.47Å; T961-S964 PolarHBondContact O-OG 3.09Å; S964-R966 VanDerWaalsContact C-N 3.31Å; S964-R966 PolarHBondContact O-N 3.32Å; S964-V967 WeakPolarHBondContact O-CB 3.43Å; S964-V967 PolarHBondContact O-N 3.1Å
965L65.2Low62.9Low49 Ų4958.1 Ų58.126%0.25731%0.314SS..Hα-helixtrans-72.7-19.9174.8-75174.5000113.6I939 T961 K963 L968I939-L965 HydrophobicContact CG2-CD1 4.09Å; T961-L965 WeakPolarHBondContact O-CD1 3.31Å; T961-L965 VanDerWaalsContact O-CG 3.31Å; T961-L965 WeakPolarHBondContact O-CG 3.32Å; K963-L965 VanDerWaalsContact C-N 3.3Å; K963-L965 PolarHBondContact O-N 3.46Å; L965-L968 HydrophobicContact CD2-CD1 4.12Å
966R67.2Low64.7Low79 Ų7956 Ų5630%0.29830%0.298SS..Hα-helixtrans-69.8-35.1171.5-63.2-176.1-177-168.23.4111.7E877 K963 S964 L968 R969E877-R966 IonicContact OE1-NH1 3.75Å; E877-R966 PolarHBondContact OE1-NH1 3.42Å; K963-R966 WeakPolarHBondContact O-CB 3.48Å; K963-R966 PolarHBondContact O-N 3.25Å; S964-R966 VanDerWaalsContact C-N 3.31Å; S964-R966 PolarHBondContact O-N 3.32Å; R966-L968 PolarHBondContact O-N 2.81Å; R966-L968 VanDerWaalsContact O-N 3.13Å; R966-R969 VanDerWaalsContact O-CB 3.23Å; R966-R969 WeakPolarHBondContact O-CB 3.27Å; R966-R969 WeakPolarHBondContact O-CG 3.46Å; R966-R969 PolarHBondContact O-N 2.76Å
967V69Low66.4Low33 Ų3351.8 Ų51.820%0.227%0.269CS..Hα-helixtrans-58.1-29.7-177.1-171.60000112.5S964 R969 V970 V1347 Q1350S964-V967 WeakPolarHBondContact O-CB 3.43Å; S964-V967 PolarHBondContact O-N 3.1Å; V967-R969 PolarHBondContact O-N 3.48Å; V967-R969 VanDerWaalsContact O-N 3.14Å; V967-V970 VanDerWaalsContact O-CB 3.31Å; V967-V970 WeakPolarHBondContact O-CB 3.46Å; V967-V970 VanDerWaalsContact O-CG2 3.3Å; V967-V970 WeakPolarHBondContact O-CG2 3.47Å; V967-V970 PolarHBondContact O-N 2.89Å; V967-V1347 HydrophobicContact CG1-CG1 4.4Å; V967-V1347 HydrophobicContact CG1-CG2 3.88Å; V967-Q1350 HydrophobicContact CG2-CB 4.5Å
968L70.3Confident67.8Low70 Ų7048 Ų4837%0.36625%0.249SC..G310 helixtrans-60.1-24.1174.2-63.7177.3000113.3L965 R966 V970 L971L965-L968 HydrophobicContact CD2-CD1 4.12Å; R966-L968 PolarHBondContact O-N 2.81Å; R966-L968 VanDerWaalsContact O-N 3.13Å; L968-V970 PolarHBondContact O-N 3.29Å; L968-L971 HydrophobicContact CD2-CD1 4.43Å; L968-L971 WeakPolarHBondContact O-CB 3.3Å; L968-L971 WeakPolarHBondContact O-CG 3.34Å; L968-L971 PolarHBondContact O-N 3.44Å
969R74.5Confident69.1Low26 Ų2648 Ų4810%0.09825%0.245CC..G310 helixtrans-67.5-23.2175.8-59.4175.7-178.9169.8-9112.4L874 D894 R966 V967 L971 R972L874-R969 HydrophobicContact CD1-CB 4.13Å; L874-R969 HydrophobicContact CD2-CB 4.28Å; D894-R969 VanDerWaalsContact OD2-CD 3.3Å; D894-R969 WeakPolarHBondContact OD2-CD 3.43Å; D894-R969 IonicContact OD2-CZ 2.72Å; D894-R969 IonicContact OD2-NE 3.43Å; D894-R969 IonicContact OD2-NH1 2.72Å; D894-R969 PolarHBondContact OD2-NH1 3.26Å; R966-R969 VanDerWaalsContact O-CB 3.23Å; R966-R969 WeakPolarHBondContact O-CB 3.27Å; R966-R969 WeakPolarHBondContact O-CG 3.46Å; R966-R969 PolarHBondContact O-N 2.76Å; V967-R969 PolarHBondContact O-N 3.48Å; V967-R969 VanDerWaalsContact O-N 3.14Å; R969-L971 PolarHBondContact O-N 2.9Å; R969-L971 VanDerWaalsContact O-N 3.16Å; R969-R972 WeakPolarHBondContact O-CB 3.37Å; R969-R972 WeakPolarHBondContact O-CD 3.42Å; R969-R972 WeakPolarHBondContact O-CG 3.4Å; R969-R972 PolarHBondContact O-N 3.13Å; R969-R972 VanDerWaalsContact O-N 3.1Å
970V73.4Confident70.3Confident1 Ų145.2 Ų45.21%0.00623%0.232CC..G310 helixtrans-66.8-12.9176.8-168.80000112V967 L968 R972 P973 I1343 V1346 V1347V967-V970 VanDerWaalsContact O-CB 3.31Å; V967-V970 WeakPolarHBondContact O-CB 3.46Å; V967-V970 VanDerWaalsContact O-CG2 3.3Å; V967-V970 WeakPolarHBondContact O-CG2 3.47Å; V967-V970 PolarHBondContact O-N 2.89Å; L968-V970 PolarHBondContact O-N 3.29Å; V970-R972 VanDerWaalsContact C-N 3.29Å; V970-R972 PolarHBondContact O-N 3.38Å; V970-P973 WeakPolarHBondContact O-CD 3.47Å; V970-I1343 HydrophobicContact CG1-CB 4.33Å; V970-I1343 HydrophobicContact CG1-CG1 4.34Å; V970-I1343 HydrophobicContact CG1-CG2 4.19Å; V970-V1346 HydrophobicContact CB-CG1 4.49Å; V970-V1346 HydrophobicContact CG1-CB 3.92Å; V970-V1346 HydrophobicContact CG1-CG1 4.06Å; V970-V1346 HydrophobicContact CG2-CB 4.29Å; V970-V1346 HydrophobicContact CG2-CG1 3.57Å; V970-V1347 HydrophobicContact CB-CG2 4.44Å; V970-V1347 HydrophobicContact CG1-CG2 4.19Å
971L78.4Confident71.3Confident58 Ų5845 Ų4530%0.30423%0.229SC..G310 helixtrans-76.5-8.9172.8-56.5178.9000113.9L929 V933 L968 R969 P973 L974L929-L971 HydrophobicContact CD2-CB 4.32Å; V933-L971 HydrophobicContact CG2-CB 4.18Å; L968-L971 HydrophobicContact CD2-CD1 4.43Å; L968-L971 WeakPolarHBondContact O-CB 3.3Å; L968-L971 WeakPolarHBondContact O-CG 3.34Å; L968-L971 PolarHBondContact O-N 3.44Å; R969-L971 PolarHBondContact O-N 2.9Å; R969-L971 VanDerWaalsContact O-N 3.16Å; L971-P973 VanDerWaalsContact C-CD 3.42Å; L971-L974 HydrophobicContact CB-CD1 4.04Å; L971-L974 HydrophobicContact CD2-CD1 3.69Å; L971-L974 HydrophobicContact CG-CD1 4.44Å; L971-L974 WeakPolarHBondContact O-CB 3.42Å; L971-L974 PolarHBondContact O-N 2.89Å; L971-L974 VanDerWaalsContact O-N 3.11Å
972R76Confident72.1Confident4 Ų445.1 Ų45.12%0.01523%0.225CC..G310 helixtrans-54.3-39.4-179.3-73.1170.5-177.3170.72.9114.6I867 S870 D894 T898 F901 V933 R969 V970 L974 K975I867-R972 WeakPolarHBondContact CG2-O 3.48Å; S870-R972 VanDerWaalsContact OG-CD 3.25Å; S870-R972 WeakPolarHBondContact OG-CD 3.37Å; S870-R972 PolarHBondContact OG-NH1 3.06Å; D894-R972 IonicContact OD1-CZ 3.07Å; D894-R972 IonicContact OD1-NH1 3.83Å; D894-R972 PolarHBondContact OD1-NH1 3.25Å; D894-R972 IonicContact OD1-NH2 2.65Å; D894-R972 PolarHBondContact OD1-NH2 3.29Å; T898-R972 PolarHBondContact OG1-NH2 3.37Å; F901-R972 HydrophobicContact CE2-CG 4.45Å; V933-R972 HydrophobicContact CG1-CG 3.93Å; R969-R972 WeakPolarHBondContact O-CB 3.37Å; R969-R972 WeakPolarHBondContact O-CD 3.42Å; R969-R972 WeakPolarHBondContact O-CG 3.4Å; R969-R972 PolarHBondContact O-N 3.13Å; R969-R972 VanDerWaalsContact O-N 3.1Å; V970-R972 VanDerWaalsContact C-N 3.29Å; V970-R972 PolarHBondContact O-N 3.38Å; R972-L974 VanDerWaalsContact C-N 3.28Å; R972-L974 PolarHBondContact O-N 3.18Å; R972-K975 WeakPolarHBondContact O-CB 3.5Å; R972-K975 PolarHBondContact O-N 3.45Å
973P74.5Confident73.1Confident8 Ų843.1 Ų43.15%0.05221%0.214CC..G310 helixtrans-59.8-29.2175.7-23.834.4000114.7V970 L971 K975 T976 M1339 F1342V970-P973 WeakPolarHBondContact O-CD 3.47Å; L971-P973 VanDerWaalsContact C-CD 3.42Å; P973-K975 PolarHBondContact O-N 2.92Å; P973-K975 VanDerWaalsContact O-N 3.09Å; P973-T976 WeakPolarHBondContact O-CB 3.49Å; P973-T976 WeakPolarHBondContact O-CG2 3.17Å; P973-T976 PolarHBondContact O-N 3.49Å; P973-T976 PolarHBondContact O-OG1 2.89Å; P973-M1339 HydrophobicContact CB-CG 3.84Å; P973-M1339 HydrophobicContact CB-SD 3.68Å; P973-F1342 HydrophobicContact CG-CD1 3.91Å; P973-F1342 HydrophobicContact CG-CE1 3.68Å
974L77.9Confident74Confident35 Ų3543 Ų4318%0.18321%0.214CC..G310 helixtrans-59.1-26.2179.9-71.2156.7000112.3W926 L929 L971 R972 T976 I977 M1339 I1343W926-L974 HydrophobicContact CZ3-CB 4.29Å; W926-L974 VanDerWaalsContact CZ3-O 3.3Å; W926-L974 WeakPolarHBondContact CZ3-O 3.43Å; L929-L974 HydrophobicContact CD1-CD1 4.19Å; L971-L974 HydrophobicContact CB-CD1 4.04Å; L971-L974 HydrophobicContact CD2-CD1 3.69Å; L971-L974 HydrophobicContact CG-CD1 4.44Å; L971-L974 WeakPolarHBondContact O-CB 3.42Å; L971-L974 PolarHBondContact O-N 2.89Å; L971-L974 VanDerWaalsContact O-N 3.11Å; R972-L974 VanDerWaalsContact C-N 3.28Å; R972-L974 PolarHBondContact O-N 3.18Å; L974-T976 PolarHBondContact O-N 3.49Å; L974-T976 VanDerWaalsContact O-N 3.07Å; L974-I977 HydrophobicContact CD2-CD1 4.03Å; L974-I977 PolarHBondContact O-N 2.97Å; L974-M1339 HydrophobicContact CD2-CE 3.58Å; L974-M1339 HydrophobicContact CG-CE 4.03Å; L974-I1343 HydrophobicContact CD2-CD1 4.46Å; L974-I1343 HydrophobicContact CG-CD1 4.19Å
975K76Confident74.5Confident19 Ų1942.3 Ų42.38%0.08321%0.212CC..Hα-helixtrans-56.7-20.6171.6-72.5-171.9172.2-174.90113.4I867 E904 D930 R972 P973 R979I867-K975 HydrophobicContact CD1-CB 3.68Å; I867-K975 HydrophobicContact CD1-CD 3.53Å; I867-K975 HydrophobicContact CD1-CG 4.26Å; I867-K975 HydrophobicContact CG1-CD 4Å; E904-K975 IonicContact OE2-NZ 3.78Å; E904-K975 PolarHBondContact OE2-NZ 3.41Å; D930-K975 WeakPolarHBondContact OD1-CE 3.28Å; D930-K975 IonicContact OD1-NZ 2.68Å; D930-K975 PolarHBondContact OD1-NZ 3.05Å; D930-K975 IonicContact OD2-NZ 2.84Å; R972-K975 WeakPolarHBondContact O-CB 3.5Å; R972-K975 PolarHBondContact O-N 3.45Å; P973-K975 PolarHBondContact O-N 2.92Å; P973-K975 VanDerWaalsContact O-N 3.09Å; K975-R979 WeakPolarHBondContact O-CG 3.3Å
976T77.2Confident74.9Confident23 Ų2341.5 Ų41.514%0.14121%0.209CC..Hα-helixtrans-72.8-34.1178.463.50000113.1I867 P973 L974 R978 R979 V980I867-T976 HydrophobicContact CG2-CG2 4.45Å; P973-T976 WeakPolarHBondContact O-CB 3.49Å; P973-T976 WeakPolarHBondContact O-CG2 3.17Å; P973-T976 PolarHBondContact O-N 3.49Å; P973-T976 PolarHBondContact O-OG1 2.89Å; L974-T976 PolarHBondContact O-N 3.49Å; L974-T976 VanDerWaalsContact O-N 3.07Å; T976-R978 VanDerWaalsContact C-N 3.34Å; T976-R978 PolarHBondContact O-N 2.91Å; T976-R979 PolarHBondContact O-N 3.05Å; T976-V980 PolarHBondContact O-N 3.25Å
977I81.5Confident75.5Confident1 Ų140.6 Ų40.61%0.00521%0.207CC..Hα-helixtrans-54.7-50.6-179.7-61.8-178.8000110.3W926 L974 R979 V980 L983 K984 F987 L1336 M1339W926-I977 HydrophobicContact CH2-CB 4.05Å; W926-I977 HydrophobicContact CH2-CD1 4.43Å; W926-I977 HydrophobicContact CH2-CG2 4.13Å; L974-I977 HydrophobicContact CD2-CD1 4.03Å; L974-I977 PolarHBondContact O-N 2.97Å; I977-R979 VanDerWaalsContact C-N 3.29Å; I977-R979 PolarHBondContact O-N 2.87Å; I977-V980 PolarHBondContact O-N 3.45Å; I977-L983 HydrophobicContact CB-CD2 4.48Å; I977-L983 HydrophobicContact CB-CG 4.42Å; I977-L983 HydrophobicContact CG1-CD2 4.07Å; I977-L983 HydrophobicContact CG1-CG 4.16Å; I977-L983 HydrophobicContact CG2-CG 4.46Å; I977-K984 HydrophobicContact CG2-CB 4.44Å; I977-K984 WeakPolarHBondContact O-CB 3.47Å; I977-K984 PolarHBondContact O-N 2.79Å; I977-F987 HydrophobicContact CD1-CD2 3.88Å; I977-F987 HydrophobicContact CD1-CE2 4.22Å; I977-F987 HydrophobicContact CD1-CG 4.35Å; I977-F987 HydrophobicContact CG2-CB 3.75Å; I977-F987 HydrophobicContact CG2-CD1 4.23Å; I977-F987 HydrophobicContact CG2-CD2 4.46Å; I977-F987 HydrophobicContact CG2-CG 3.9Å; I977-L1336 HydrophobicContact CD1-CD1 3.97Å; I977-M1339 HydrophobicContact CD1-CE 3.78Å; I977-M1339 HydrophobicContact CG1-CE 4.08Å
978R77.5Confident76.1Confident116 Ų11642.2 Ų42.244%0.43822%0.215SC..Hα-helixtrans-61.2-33.5178-175.7-178-178.1165.413.8113.6D924 W926 N927 T976D924-R978 IonicContact OD1-CZ 3.51Å; D924-R978 IonicContact OD1-NH1 3.4Å; D924-R978 PolarHBondContact OD1-NH1 3.44Å; D924-R978 IonicContact OD2-CZ 3.4Å; D924-R978 IonicContact OD2-NH1 3.96Å; D924-R978 PolarHBondContact OD2-NH1 3.46Å; D924-R978 IonicContact OD2-NH2 2.69Å; D924-R978 PolarHBondContact OD2-NH2 3.39Å; W926-R978 HydrophobicContact CD2-CB 4.34Å; N927-R978 PolarHBondContact OD1-NH1 3.27Å; T976-R978 VanDerWaalsContact C-N 3.34Å; T976-R978 PolarHBondContact O-N 2.91Å
979R76.9Confident76.3Confident59 Ų5940.2 Ų40.222%0.22321%0.206CC..Hα-helixtrans-83.2-26.2-173.7-66.3179.5-169.1-110.5-8.7113D860 E904 K975 T976 I977 P981D860-R979 PolarHBondContact O-NH1 2.76Å; D860-R979 IonicContact OD1-CZ 2.88Å; D860-R979 IonicContact OD1-NH1 2.77Å; D860-R979 PolarHBondContact OD1-NH1 2.97Å; D860-R979 IonicContact OD1-NH2 3.13Å; E904-R979 IonicContact OE1-NH2 3.15Å; E904-R979 PolarHBondContact OE1-NH2 3.47Å; K975-R979 WeakPolarHBondContact O-CG 3.3Å; T976-R979 PolarHBondContact O-N 3.05Å; I977-R979 VanDerWaalsContact C-N 3.29Å; I977-R979 PolarHBondContact O-N 2.87Å; R979-P981 WeakPolarHBondContact O-CD 3.14Å
980V76.5Confident76.6Confident42 Ų4239.5 Ų39.526%0.25521%0.205SC..SBendtrans-102.6100.4178.2179.70000108.5T976 I977 K982 L983 K984 Y1332T976-V980 PolarHBondContact O-N 3.25Å; I977-V980 PolarHBondContact O-N 3.45Å; V980-K982 PolarHBondContact O-N 2.79Å; V980-K982 VanDerWaalsContact O-N 3.1Å; V980-L983 HydrophobicContact CB-CB 3.8Å; V980-L983 HydrophobicContact CB-CD2 4.43Å; V980-L983 HydrophobicContact CG1-CB 3.77Å; V980-L983 WeakPolarHBondContact O-CA 3.34Å; V980-L983 WeakPolarHBondContact O-CB 3.44Å; V980-L983 PolarHBondContact O-N 3.27Å; V980-K984 PolarHBondContact O-N 3.35Å; V980-Y1332 HydrophobicContact CG1-CD1 3.94Å; V980-Y1332 HydrophobicContact CG1-CE1 3.68Å
981P74.3Confident77Confident77 Ų7741.9 Ų41.950%0.522%0.219SC..Hα-helixtrans-61-29.9-168.621.7-33.3000113.8R979 K984 A985R979-P981 WeakPolarHBondContact O-CD 3.14Å; P981-K984 PolarHBondContact O-N 2.93Å; P981-A985 WeakPolarHBondContact O-CB 3.37Å; P981-A985 PolarHBondContact O-N 2.81Å
982K69.4Low77Confident56 Ų5641.3 Ų41.324%0.24322%0.22CC..Hα-helixtrans-71-34.1174.2-68.6170.2175.4165.70113V980 A985 V986 Y1332V980-K982 PolarHBondContact O-N 2.79Å; V980-K982 VanDerWaalsContact O-N 3.1Å; K982-A985 PolarHBondContact O-N 3Å; K982-V986 WeakPolarHBondContact O-CG2 3.22Å; K982-V986 PolarHBondContact O-N 2.78Å; K982-Y1332 HydrophobicContact CB-CD1 3.99Å; K982-Y1332 HydrophobicContact CB-CD2 3.85Å; K982-Y1332 HydrophobicContact CB-CE1 3.92Å; K982-Y1332 HydrophobicContact CB-CE2 3.79Å; K982-Y1332 HydrophobicContact CB-CG 3.96Å; K982-Y1332 HydrophobicContact CD-CD2 4.41Å; K982-Y1332 HydrophobicContact CD-CE1 4.42Å; K982-Y1332 HydrophobicContact CD-CE2 3.57Å; K982-Y1332 WeakPolarHBondContact CD-OH 3.28Å; K982-Y1332 HydrophobicContact CG-CE2 4.28Å
983L75.8Confident77.2Confident1 Ų141.1 Ų41.11%0.00522%0.22CC..Hα-helixtrans-72.2-36.8173.3-176.359.9000110.9I977 V980 F987 Y1332 L1335 L1336I977-L983 HydrophobicContact CB-CD2 4.48Å; I977-L983 HydrophobicContact CB-CG 4.42Å; I977-L983 HydrophobicContact CG1-CD2 4.07Å; I977-L983 HydrophobicContact CG1-CG 4.16Å; I977-L983 HydrophobicContact CG2-CG 4.46Å; V980-L983 HydrophobicContact CB-CB 3.8Å; V980-L983 HydrophobicContact CB-CD2 4.43Å; V980-L983 HydrophobicContact CG1-CB 3.77Å; V980-L983 WeakPolarHBondContact O-CA 3.34Å; V980-L983 WeakPolarHBondContact O-CB 3.44Å; V980-L983 PolarHBondContact O-N 3.27Å; L983-F987 VanDerWaalsContact O-CB 3.31Å; L983-F987 WeakPolarHBondContact O-CB 3.48Å; L983-F987 PolarHBondContact O-N 2.86Å; L983-Y1332 HydrophobicContact CB-CD1 4.32Å; L983-Y1332 WeakPolarHBondContact CD1-O 3.21Å; L983-L1335 HydrophobicContact CD1-CD2 4.15Å; L983-L1335 HydrophobicContact CD2-CD2 3.6Å; L983-L1336 HydrophobicContact CD1-CB 4.08Å; L983-L1336 HydrophobicContact CD1-CD1 4.42Å
984K79.7Confident77.6Confident78 Ų7842.8 Ų42.834%0.33923%0.228SC..Hα-helixtrans-61.2-47.9168.1171.1159.9167.149.60111.8I977 V980 P981 V986 F987 D988I977-K984 HydrophobicContact CG2-CB 4.44Å; I977-K984 WeakPolarHBondContact O-CB 3.47Å; I977-K984 PolarHBondContact O-N 2.79Å; V980-K984 PolarHBondContact O-N 3.35Å; P981-K984 PolarHBondContact O-N 2.93Å; K984-V986 PolarHBondContact O-N 3.42Å; K984-F987 CarbonylContact O-C 3.55Å; K984-F987 WeakPolarHBondContact O-CB 3.37Å; K984-F987 PolarHBondContact O-N 3.48Å; K984-F987 VanDerWaalsContact O-N 3.07Å; K984-D988 WeakPolarHBondContact CE-OD2 3.39Å; K984-D988 WeakPolarHBondContact CG-OD2 3.39Å; K984-D988 IonicContact NZ-OD1 2.66Å; K984-D988 PolarHBondContact NZ-OD1 3.28Å; K984-D988 IonicContact NZ-OD2 2.79Å; K984-D988 PolarHBondContact NZ-OD2 3.32Å; K984-D988 PolarHBondContact O-N 2.89Å
985A72.9Confident77.8Confident53 Ų5347.9 Ų47.944%0.43825%0.248SC..Hα-helixtrans-58.4-45.3178.100000112.2P981 K982 F987 D988 C989P981-A985 WeakPolarHBondContact O-CB 3.37Å; P981-A985 PolarHBondContact O-N 2.81Å; K982-A985 PolarHBondContact O-N 3Å; A985-F987 PolarHBondContact O-N 3.46Å; A985-D988 PolarHBondContact O-N 3.09Å; A985-C989 WeakPolarHBondContact O-CB 3.4Å; A985-C989 PolarHBondContact O-N 2.89Å
986V73.6Confident77.8Confident32 Ų3250.2 Ų50.219%0.19426%0.262CS..Hα-helixtrans-59.3-43.5172165.90000111.9K982 K984 C989 V990 V1333 L1336K982-V986 WeakPolarHBondContact O-CG2 3.22Å; K982-V986 PolarHBondContact O-N 2.78Å; K984-V986 PolarHBondContact O-N 3.42Å; V986-C989 WeakPolarHBondContact O-CB 3.46Å; V986-C989 PolarHBondContact O-N 2.98Å; V986-V990 WeakPolarHBondContact O-CB 3.43Å; V986-V990 VanDerWaalsContact O-CG2 3.3Å; V986-V990 WeakPolarHBondContact O-CG2 3.32Å; V986-V990 PolarHBondContact O-N 3.43Å; V986-V1333 HydrophobicContact CG1-CB 4.42Å; V986-V1333 HydrophobicContact CG1-CG2 3.86Å; V986-V1333 HydrophobicContact CG2-CG2 4.13Å; V986-L1336 HydrophobicContact CG1-CD2 4.3Å
987F80.8Confident78Confident60 Ų6049.3 Ų49.326%0.26326%0.256SS..Hα-helixtrans-66.3-42.2178179.9-95.1000112.6W926 I977 L983 K984 A985 V990 V991 L1336W926-F987 HydrophobicContact CZ2-CE1 4.34Å; I977-F987 HydrophobicContact CD1-CD2 3.88Å; I977-F987 HydrophobicContact CD1-CE2 4.22Å; I977-F987 HydrophobicContact CD1-CG 4.35Å; I977-F987 HydrophobicContact CG2-CB 3.75Å; I977-F987 HydrophobicContact CG2-CD1 4.23Å; I977-F987 HydrophobicContact CG2-CD2 4.46Å; I977-F987 HydrophobicContact CG2-CG 3.9Å; L983-F987 VanDerWaalsContact O-CB 3.31Å; L983-F987 WeakPolarHBondContact O-CB 3.48Å; L983-F987 PolarHBondContact O-N 2.86Å; K984-F987 CarbonylContact O-C 3.55Å; K984-F987 WeakPolarHBondContact O-CB 3.37Å; K984-F987 PolarHBondContact O-N 3.48Å; K984-F987 VanDerWaalsContact O-N 3.07Å; A985-F987 PolarHBondContact O-N 3.46Å; F987-V990 PolarHBondContact O-N 3.12Å; F987-V991 HydrophobicContact CD1-CG2 4.17Å; F987-V991 HydrophobicContact CE1-CG2 3.78Å; F987-V991 HydrophobicContact CE2-CG2 4.36Å; F987-V991 HydrophobicContact CZ-CG2 3.88Å; F987-V991 WeakPolarHBondContact O-CB 3.44Å; F987-V991 WeakPolarHBondContact O-CG2 3.4Å; F987-V991 PolarHBondContact O-N 3.22Å; F987-L1336 HydrophobicContact CD2-CD1 4.42Å
988D80.3Confident77.9Confident68 Ų6851.8 Ų51.836%0.36427%0.273SS..Hα-helixtrans-65.4-39.8177-61.5-34.6000111.1K984 A985 V991 S992K984-D988 WeakPolarHBondContact CE-OD2 3.39Å; K984-D988 WeakPolarHBondContact CG-OD2 3.39Å; K984-D988 IonicContact NZ-OD1 2.66Å; K984-D988 PolarHBondContact NZ-OD1 3.28Å; K984-D988 IonicContact NZ-OD2 2.79Å; K984-D988 PolarHBondContact NZ-OD2 3.32Å; K984-D988 PolarHBondContact O-N 2.89Å; A985-D988 PolarHBondContact O-N 3.09Å; D988-V991 PolarHBondContact O-N 3.4Å; D988-S992 VanDerWaalsContact O-CB 3.3Å; D988-S992 WeakPolarHBondContact O-CB 3.38Å; D988-S992 PolarHBondContact O-N 3.06Å
989C75.9Confident77.9Confident27 Ų2750.1 Ų50.118%0.18227%0.272CS..Hα-helixtrans-57.6-50.6171.1167.20000111.6A985 V986 V991 S992 S993 F1135 Q1138A985-C989 WeakPolarHBondContact O-CB 3.4Å; A985-C989 PolarHBondContact O-N 2.89Å; V986-C989 WeakPolarHBondContact O-CB 3.46Å; V986-C989 PolarHBondContact O-N 2.98Å; C989-V991 PolarHBondContact O-N 3.45Å; C989-S992 CarbonylContact O-C 3.4Å; C989-S992 WeakPolarHBondContact O-CA 3.38Å; C989-S992 WeakPolarHBondContact O-CB 3.46Å; C989-S992 PolarHBondContact O-N 2.84Å; C989-S992 VanDerWaalsContact O-N 3.09Å; C989-S993 PolarHBondContact O-N 3.2Å; C989-F1135 WeakPolarHBondContact SG-CE1 3.29Å; C989-F1135 WeakPolarHBondContact SG-CZ 3.25Å; C989-Q1138 PolarHBondContact SG-OE1 2.7Å
990V80Confident78.1Confident11 Ų1147.7 Ų47.77%0.06726%0.263CS..Hα-helixtrans-63.7-37.2176.4168.20000112.2V986 F987 S992 S993 L994 F1424 L1425 N1428V986-V990 WeakPolarHBondContact O-CB 3.43Å; V986-V990 VanDerWaalsContact O-CG2 3.3Å; V986-V990 WeakPolarHBondContact O-CG2 3.32Å; V986-V990 PolarHBondContact O-N 3.43Å; F987-V990 PolarHBondContact O-N 3.12Å; V990-S992 VanDerWaalsContact C-N 3.32Å; V990-S993 PolarHBondContact O-OG 3.08Å; V990-S993 VanDerWaalsContact O-OG 3.05Å; V990-L994 WeakPolarHBondContact O-CB 3.44Å; V990-L994 PolarHBondContact O-N 2.91Å; V990-F1424 HydrophobicContact CG1-CD1 4.49Å; V990-F1424 HydrophobicContact CG1-CE1 3.71Å; V990-F1424 HydrophobicContact CG1-CZ 4.38Å; V990-L1425 HydrophobicContact CG1-CD2 3.79Å; V990-N1428 HydrophobicContact CG2-CB 4.09Å
991V83Confident78.4Confident52 Ų5247.2 Ų47.232%0.31526%0.259SS..Hα-helixtrans-69.2-32.1173.3169.10000111.3F987 D988 C989 K995F987-V991 HydrophobicContact CD1-CG2 4.17Å; F987-V991 HydrophobicContact CE1-CG2 3.78Å; F987-V991 HydrophobicContact CE2-CG2 4.36Å; F987-V991 HydrophobicContact CZ-CG2 3.88Å; F987-V991 WeakPolarHBondContact O-CB 3.44Å; F987-V991 WeakPolarHBondContact O-CG2 3.4Å; F987-V991 PolarHBondContact O-N 3.22Å; D988-V991 PolarHBondContact O-N 3.4Å; C989-V991 PolarHBondContact O-N 3.45Å; V991-K995 WeakPolarHBondContact O-CG 3.26Å; V991-K995 PolarHBondContact O-N 3.41Å
992S78.4Confident78.7Confident46 Ų4648 Ų4832%0.32226%0.262SS..Hα-helixtrans-71.4-44175.4-168.90000112.2D988 C989 V990 L994 K995 N996 Q1138D988-S992 VanDerWaalsContact O-CB 3.3Å; D988-S992 WeakPolarHBondContact O-CB 3.38Å; D988-S992 PolarHBondContact O-N 3.06Å; C989-S992 CarbonylContact O-C 3.4Å; C989-S992 WeakPolarHBondContact O-CA 3.38Å; C989-S992 WeakPolarHBondContact O-CB 3.46Å; C989-S992 PolarHBondContact O-N 2.84Å; C989-S992 VanDerWaalsContact O-N 3.09Å; V990-S992 VanDerWaalsContact C-N 3.32Å; S992-L994 VanDerWaalsContact C-N 3.33Å; S992-K995 PolarHBondContact O-N 3.34Å; S992-N996 PolarHBondContact O-ND2 2.81Å; S992-Q1138 PolarHBondContact OG-NE2 3.11Å
993S80.3Confident79.1Confident0 Ų045.5 Ų45.50%025%0.251CS..Hα-helixtrans-62.8-41.6171.371.30000110.7C989 V990 K995 N996 V997 N1428C989-S993 PolarHBondContact O-N 3.2Å; V990-S993 PolarHBondContact O-OG 3.08Å; V990-S993 VanDerWaalsContact O-OG 3.05Å; S993-K995 VanDerWaalsContact C-N 3.35Å; S993-K995 PolarHBondContact O-N 2.98Å; S993-N996 PolarHBondContact O-N 3.43Å; S993-N996 VanDerWaalsContact O-N 3.15Å; S993-V997 WeakPolarHBondContact O-CG2 3.18Å; S993-V997 PolarHBondContact O-N 3.08Å; S993-N1428 PolarHBondContact OG-OD1 3.28Å
994L82.5Confident79.6Confident42 Ų4246.6 Ų46.622%0.2226%0.256CS..Hα-helixtrans-58.7-39.7176.4-175.160.4000112.8V990 S992 N996 V997 C998 F1424V990-L994 WeakPolarHBondContact O-CB 3.44Å; V990-L994 PolarHBondContact O-N 2.91Å; S992-L994 VanDerWaalsContact C-N 3.33Å; L994-N996 VanDerWaalsContact C-N 3.32Å; L994-N996 PolarHBondContact O-N 3.42Å; L994-V997 HydrophobicContact CD1-CG1 4.48Å; L994-V997 PolarHBondContact O-N 2.91Å; L994-C998 WeakPolarHBondContact O-CB 3.35Å; L994-C998 PolarHBondContact O-N 2.86Å; L994-C998 PolarHBondContact O-SG 3.02Å; L994-F1424 HydrophobicContact CB-CE1 4Å; L994-F1424 HydrophobicContact CB-CZ 3.75Å; L994-F1424 HydrophobicContact CD1-CE1 3.96Å; L994-F1424 HydrophobicContact CD1-CE2 4.48Å; L994-F1424 HydrophobicContact CD1-CZ 3.92Å; L994-F1424 HydrophobicContact CG-CE1 4.38Å; L994-F1424 HydrophobicContact CG-CZ 4.39Å
995K81.6Confident79.8Confident143 Ų14346.5 Ų46.562%0.62226%0.258SS*.Hα-helixtrans-57.3-43.7175.6-77.3173.3-178.7179.60112.4V991 S992 S993V991-K995 WeakPolarHBondContact O-CG 3.26Å; V991-K995 PolarHBondContact O-N 3.41Å; S992-K995 PolarHBondContact O-N 3.34Å; S993-K995 VanDerWaalsContact C-N 3.35Å; S993-K995 PolarHBondContact O-N 2.98Å
996N76Confident80.2Confident68 Ų6845.9 Ų45.936%0.36425%0.247SC..Hα-helixtrans-73.1-40179.3-63.3-41.2000111.2S992 S993 L994 C998 I999 L1130 T1134S992-N996 PolarHBondContact O-ND2 2.81Å; S993-N996 PolarHBondContact O-N 3.43Å; S993-N996 VanDerWaalsContact O-N 3.15Å; L994-N996 VanDerWaalsContact C-N 3.32Å; L994-N996 PolarHBondContact O-N 3.42Å; N996-C998 VanDerWaalsContact C-N 3.34Å; N996-C998 PolarHBondContact O-N 3.49Å; N996-I999 PolarHBondContact O-N 3.09Å; N996-L1130 HydrophobicContact CB-CD2 3.81Å; N996-T1134 HydrophobicContact CB-CG2 4.15Å
997V81.6Confident80.6Confident4 Ų446 Ų462%0.02425%0.246CC..Hα-helixtrans-59.9-39.8172.5164.50000111.8S993 L994 I999 I1000 L1001 F1127 L1130 I1131 F1424S993-V997 WeakPolarHBondContact O-CG2 3.18Å; S993-V997 PolarHBondContact O-N 3.08Å; L994-V997 HydrophobicContact CD1-CG1 4.48Å; L994-V997 PolarHBondContact O-N 2.91Å; V997-I999 VanDerWaalsContact C-N 3.25Å; V997-I999 PolarHBondContact O-N 3.32Å; V997-I1000 CarbonylContact O-C 3.56Å; V997-I1000 WeakPolarHBondContact O-CA 3.3Å; V997-I1000 WeakPolarHBondContact O-CB 3.11Å; V997-I1000 PolarHBondContact O-N 3.12Å; V997-L1001 PolarHBondContact O-N 3.33Å; V997-F1127 HydrophobicContact CG1-CD1 3.83Å; V997-F1127 HydrophobicContact CG1-CE1 3.89Å; V997-L1130 HydrophobicContact CG2-CD2 3.76Å; V997-I1131 HydrophobicContact CG2-CD1 4.07Å; V997-I1131 HydrophobicContact CG2-CG1 3.73Å; V997-F1424 HydrophobicContact CG1-CE2 4.47Å; V997-F1424 HydrophobicContact CG2-CE2 4.18Å
998C79.6Confident80.9Confident52 Ų5243.2 Ų43.235%0.35123%0.233SC..Hα-helixtrans-58.7-33.3-179.3-81.80000113.3L994 N996 I1000 L1001 V1002L994-C998 WeakPolarHBondContact O-CB 3.35Å; L994-C998 PolarHBondContact O-N 2.86Å; L994-C998 PolarHBondContact O-SG 3.02Å; N996-C998 VanDerWaalsContact C-N 3.34Å; N996-C998 PolarHBondContact O-N 3.49Å; C998-I1000 VanDerWaalsContact C-N 3.27Å; C998-I1000 PolarHBondContact O-N 3.05Å; C998-L1001 PolarHBondContact O-N 2.8Å; C998-V1002 WeakPolarHBondContact O-CG2 3.22Å; C998-V1002 PolarHBondContact O-N 3.38Å
999I77.5Confident81.2Confident81 Ų8143 Ų4342%0.41523%0.229SC..Hα-helixtrans-63.4-38.1174.8-58.8174.9000110.3N996 V997N996-I999 PolarHBondContact O-N 3.09Å; V997-I999 VanDerWaalsContact C-N 3.25Å; V997-I999 PolarHBondContact O-N 3.32Å
1000I80.6Confident81.6Confident8 Ų842.2 Ų42.24%0.04122%0.223CC..Hα-helixtrans-78.7-33.5176.5-50.1-46.4000111.2L609 V997 C998 V1002 V1003 Y1004 I1126 F1127 L1130L609-I1000 HydrophobicContact CD1-CD1 3.33Å; V997-I1000 CarbonylContact O-C 3.56Å; V997-I1000 WeakPolarHBondContact O-CA 3.3Å; V997-I1000 WeakPolarHBondContact O-CB 3.11Å; V997-I1000 PolarHBondContact O-N 3.12Å; C998-I1000 VanDerWaalsContact C-N 3.27Å; C998-I1000 PolarHBondContact O-N 3.05Å; I1000-V1002 VanDerWaalsContact C-N 3.29Å; I1000-V1002 PolarHBondContact O-N 3.08Å; I1000-V1003 CarbonylContact O-C 2.85Å; I1000-V1003 WeakPolarHBondContact O-CA 3.17Å; I1000-V1003 WeakPolarHBondContact O-CB 3.22Å; I1000-V1003 PolarHBondContact O-N 2.94Å; I1000-Y1004 PolarHBondContact O-N 3.19Å; I1000-I1126 HydrophobicContact CG2-CG2 4.12Å; I1000-F1127 HydrophobicContact CB-CD1 4.24Å; I1000-F1127 HydrophobicContact CB-CE1 3.68Å; I1000-F1127 HydrophobicContact CB-CZ 4.43Å; I1000-F1127 HydrophobicContact CG2-CD1 4.07Å; I1000-F1127 HydrophobicContact CG2-CE1 3.58Å; I1000-F1127 HydrophobicContact CG2-CZ 3.97Å; I1000-L1130 HydrophobicContact CD1-CD1 4.2Å; I1000-L1130 HydrophobicContact CG1-CD1 3.46Å; I1000-L1130 VanDerWaalsContact CG1-CD1 3.46Å
1001L82.7Confident82Confident33 Ų3343.2 Ų43.217%0.17323%0.226CC..Hα-helixtrans-62.1-36.2176.3-17063.8000111.8V997 C998 V1003 Y1004 I1005 F1127 F1420V997-L1001 PolarHBondContact O-N 3.33Å; C998-L1001 PolarHBondContact O-N 2.8Å; L1001-V1003 VanDerWaalsContact C-N 3.3Å; L1001-V1003 PolarHBondContact O-N 2.92Å; L1001-Y1004 HydrophobicContact CD1-CD1 4.12Å; L1001-Y1004 PolarHBondContact O-N 3.3Å; L1001-I1005 HydrophobicContact CG-CD1 4.04Å; L1001-I1005 WeakPolarHBondContact O-CB 3.3Å; L1001-I1005 VanDerWaalsContact O-CG1 3.28Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.42Å; L1001-I1005 PolarHBondContact O-N 2.97Å; L1001-F1127 HydrophobicContact CB-CE1 4.48Å; L1001-F1127 HydrophobicContact CD1-CZ 4.23Å; L1001-F1420 HydrophobicContact CD1-CE2 3.91Å; L1001-F1420 HydrophobicContact CD1-CZ 4.3Å; L1001-F1420 HydrophobicContact CD2-CE2 4.29Å; L1001-F1420 HydrophobicContact CD2-CZ 3.86Å
1002V79.9Confident82.3Confident94 Ų9440.7 Ų40.757%0.5721%0.211SC*.Hα-helixtrans-62.4-37.2170.51710000111.6C998 I1000 L1006C998-V1002 WeakPolarHBondContact O-CG2 3.22Å; C998-V1002 PolarHBondContact O-N 3.38Å; I1000-V1002 VanDerWaalsContact C-N 3.29Å; I1000-V1002 PolarHBondContact O-N 3.08Å; V1002-L1006 VanDerWaalsContact O-CB 3.27Å; V1002-L1006 WeakPolarHBondContact O-CB 3.47Å; V1002-L1006 PolarHBondContact O-N 3.11Å
1003V79.3Confident82.7Confident2 Ų238.6 Ų38.61%0.01220%0.196CC..Hα-helixtrans-69.6-44.4174.2-175.30000110.9L606 I1000 L1001 L1006 F1007 F1123L606-V1003 HydrophobicContact CD1-CG2 4.09Å; L606-V1003 HydrophobicContact CD2-CG1 4.42Å; L606-V1003 HydrophobicContact CD2-CG2 3.76Å; L606-V1003 HydrophobicContact CG-CG2 3.7Å; I1000-V1003 CarbonylContact O-C 2.85Å; I1000-V1003 WeakPolarHBondContact O-CA 3.17Å; I1000-V1003 WeakPolarHBondContact O-CB 3.22Å; I1000-V1003 PolarHBondContact O-N 2.94Å; L1001-V1003 VanDerWaalsContact C-N 3.3Å; L1001-V1003 PolarHBondContact O-N 2.92Å; V1003-L1006 WeakPolarHBondContact O-CB 3.3Å; V1003-L1006 PolarHBondContact O-N 3.34Å; V1003-F1007 HydrophobicContact CG1-CD2 3.77Å; V1003-F1007 HydrophobicContact CG1-CE2 3.67Å; V1003-F1007 WeakPolarHBondContact O-CD2 3.28Å; V1003-F1007 PolarHBondContact O-N 3.13Å; V1003-F1123 HydrophobicContact CG1-CE1 4.08Å; V1003-F1123 HydrophobicContact CG1-CZ 4.19Å
1004Y85.2Confident83Confident24 Ų2439.9 Ų39.99%0.09420%0.204CC..Hα-helixtrans-57.5-50175.9172.5-86.8000111.6I1000 L1001 L1006 F1007 Q1008 T1078 F1119 F1123 F1127I1000-Y1004 PolarHBondContact O-N 3.19Å; L1001-Y1004 HydrophobicContact CD1-CD1 4.12Å; L1001-Y1004 PolarHBondContact O-N 3.3Å; Y1004-L1006 VanDerWaalsContact C-N 3.32Å; Y1004-L1006 PolarHBondContact O-N 3.33Å; Y1004-F1007 PolarHBondContact O-N 3.15Å; Y1004-Q1008 WeakPolarHBondContact O-CB 3.44Å; Y1004-Q1008 PolarHBondContact O-N 3.24Å; Y1004-T1078 HydrophobicContact CE2-CG2 4.33Å; Y1004-T1078 WeakPolarHBondContact OH-CG2 3.44Å; Y1004-F1119 AromaticContact CD2-CD1 3.91Å; Y1004-F1119 HydrophobicContact CD2-CD1 3.91Å; Y1004-F1119 HydrophobicContact CD2-CE1 4.34Å; Y1004-F1119 AromaticContact CE2-CD1 3.67Å; Y1004-F1119 HydrophobicContact CE2-CD1 3.67Å; Y1004-F1119 HydrophobicContact CE2-CE1 4.38Å; Y1004-F1123 HydrophobicContact CD2-CB 3.94Å; Y1004-F1123 HydrophobicContact CD2-CD2 4.4Å; Y1004-F1123 HydrophobicContact CD2-CG 4.11Å; Y1004-F1123 HydrophobicContact CE2-CB 4.48Å; Y1004-F1127 AromaticContact CD2-CE2 3.86Å; Y1004-F1127 HydrophobicContact CD2-CE2 3.86Å; Y1004-F1127 HydrophobicContact CD2-CZ 4.35Å; Y1004-F1127 HydrophobicContact CG-CE2 4.15Å; Y1004-F1127 HydrophobicContact CG-CZ 4.19Å
1005I85.1Confident83.3Confident77 Ų7737.9 Ų37.940%0.39519%0.194SC..Hα-helixtrans-62.6-39.4177.6-67.9167.7000110.9L1001 Q1008 F1009 M1071L1001-I1005 HydrophobicContact CG-CD1 4.04Å; L1001-I1005 WeakPolarHBondContact O-CB 3.3Å; L1001-I1005 VanDerWaalsContact O-CG1 3.28Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.42Å; L1001-I1005 PolarHBondContact O-N 2.97Å; I1005-Q1008 PolarHBondContact O-N 3.43Å; I1005-F1009 VanDerWaalsContact O-CB 3.28Å; I1005-F1009 WeakPolarHBondContact O-CB 3.28Å; I1005-F1009 PolarHBondContact O-N 2.89Å; I1005-M1071 HydrophobicContact CG2-CE 4.26Å
1006L80.4Confident83.7Confident39 Ų3931.1 Ų31.120%0.20417%0.165CC..Hα-helixtrans-63-43.2175.8-178.268.2000112.2I596 V1002 V1003 Y1004 I1010I596-L1006 HydrophobicContact CD1-CD1 3.75Å; I596-L1006 HydrophobicContact CG1-CD1 4.22Å; I596-L1006 HydrophobicContact CG2-CD1 4.39Å; V1002-L1006 VanDerWaalsContact O-CB 3.27Å; V1002-L1006 WeakPolarHBondContact O-CB 3.47Å; V1002-L1006 PolarHBondContact O-N 3.11Å; V1003-L1006 WeakPolarHBondContact O-CB 3.3Å; V1003-L1006 PolarHBondContact O-N 3.34Å; Y1004-L1006 VanDerWaalsContact C-N 3.32Å; Y1004-L1006 PolarHBondContact O-N 3.33Å; L1006-I1010 VanDerWaalsContact O-CG1 3.31Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.39Å; L1006-I1010 PolarHBondContact O-N 3.37Å
1007F82.4Confident84.1Confident36 Ų3629.1 Ų29.116%0.15815%0.153CC..Hα-helixtrans-66.8-45.4174.5-89.4-110.5000111.3F597 V1003 Y1004 F1009 I1010 F1011 V1118 F1119 F1123F597-F1007 HydrophobicContact CE1-CD2 4.43Å; F597-F1007 HydrophobicContact CE1-CE1 4.44Å; F597-F1007 AromaticContact CE1-CE2 3.5Å; F597-F1007 HydrophobicContact CE1-CE2 3.5Å; F597-F1007 AromaticContact CE1-CZ 3.52Å; F597-F1007 HydrophobicContact CE1-CZ 3.52Å; F597-F1007 HydrophobicContact CZ-CD1 4.5Å; F597-F1007 HydrophobicContact CZ-CD2 4.23Å; F597-F1007 AromaticContact CZ-CE1 3.87Å; F597-F1007 HydrophobicContact CZ-CE1 3.87Å; F597-F1007 AromaticContact CZ-CE2 3.58Å; F597-F1007 HydrophobicContact CZ-CE2 3.58Å; F597-F1007 AromaticContact CZ-CZ 3.39Å; F597-F1007 HydrophobicContact CZ-CZ 3.39Å; V1003-F1007 HydrophobicContact CG1-CD2 3.77Å; V1003-F1007 HydrophobicContact CG1-CE2 3.67Å; V1003-F1007 WeakPolarHBondContact O-CD2 3.28Å; V1003-F1007 PolarHBondContact O-N 3.13Å; Y1004-F1007 PolarHBondContact O-N 3.15Å; F1007-F1009 VanDerWaalsContact C-N 3.31Å; F1007-F1009 PolarHBondContact O-N 3.41Å; F1007-I1010 WeakPolarHBondContact O-CB 3.15Å; F1007-I1010 PolarHBondContact O-N 3.37Å; F1007-I1010 VanDerWaalsContact O-N 3.12Å; F1007-F1011 WeakPolarHBondContact O-CD2 3.12Å; F1007-F1011 PolarHBondContact O-N 2.97Å; F1007-V1118 HydrophobicContact CD1-CG1 4.26Å; F1007-F1119 HydrophobicContact CB-CE1 3.86Å; F1007-F1119 HydrophobicContact CB-CZ 3.75Å; F1007-F1123 HydrophobicContact CB-CE2 3.9Å; F1007-F1123 HydrophobicContact CB-CZ 4.15Å; F1007-F1123 AromaticContact CD1-CE2 3.78Å; F1007-F1123 HydrophobicContact CD1-CE2 3.78Å; F1007-F1123 AromaticContact CD1-CZ 3.98Å; F1007-F1123 HydrophobicContact CD1-CZ 3.98Å; F1007-F1123 HydrophobicContact CD2-CE2 4.24Å; F1007-F1123 AromaticContact CD2-CZ 3.71Å; F1007-F1123 HydrophobicContact CD2-CZ 3.71Å; F1007-F1123 HydrophobicContact CE1-CE2 4.27Å; F1007-F1123 HydrophobicContact CE1-CZ 4.21Å; F1007-F1123 AromaticContact CE2-CZ 3.93Å; F1007-F1123 HydrophobicContact CE2-CZ 3.93Å; F1007-F1123 AromaticContact CG-CE2 3.74Å; F1007-F1123 HydrophobicContact CG-CE2 3.74Å; F1007-F1123 AromaticContact CG-CZ 3.71Å; F1007-F1123 HydrophobicContact CG-CZ 3.71Å; F1007-F1123 HydrophobicContact CZ-CZ 4.17Å
1008Q87Confident84.2Confident1 Ų130 Ų301%0.00516%0.157CC..Hα-helixtrans-56.1-47.5178.3-169.776.2-19.100110.4Y1004 I1005 I1010 F1011 S1012 M1071 L1074 F1119Y1004-Q1008 WeakPolarHBondContact O-CB 3.44Å; Y1004-Q1008 PolarHBondContact O-N 3.24Å; I1005-Q1008 PolarHBondContact O-N 3.43Å; Q1008-I1010 VanDerWaalsContact C-N 3.34Å; Q1008-I1010 PolarHBondContact O-N 2.99Å; Q1008-F1011 CarbonylContact O-C 3.34Å; Q1008-F1011 PolarHBondContact O-N 3.2Å; Q1008-F1011 VanDerWaalsContact O-N 3.12Å; Q1008-S1012 PolarHBondContact O-N 3.37Å; Q1008-S1012 PolarHBondContact O-OG 3Å; Q1008-S1012 VanDerWaalsContact O-OG 3.05Å; Q1008-M1071 HydrophobicContact CG-CE 4.34Å; Q1008-M1071 HydrophobicContact CG-CG 4.02Å; Q1008-L1074 VanDerWaalsContact NE2-CB 3.32Å; Q1008-L1074 PolarHBondContact NE2-O 3.49Å; Q1008-L1074 VanDerWaalsContact NE2-O 3.09Å; Q1008-F1119 HydrophobicContact CB-CE1 4.22Å
1009F86.4Confident84.6Confident63 Ų6327.6 Ų27.628%0.27614%0.141SC..Hα-helixtrans-58.3-40.2176.3177.5-105.4000113.3I1005 F1007 S1012 I1013 V1067I1005-F1009 VanDerWaalsContact O-CB 3.28Å; I1005-F1009 WeakPolarHBondContact O-CB 3.28Å; I1005-F1009 PolarHBondContact O-N 2.89Å; F1007-F1009 VanDerWaalsContact C-N 3.31Å; F1007-F1009 PolarHBondContact O-N 3.41Å; F1009-S1012 PolarHBondContact O-N 2.77Å; F1009-I1013 HydrophobicContact CD1-CD1 4.02Å; F1009-I1013 HydrophobicContact CD2-CD1 4.49Å; F1009-I1013 HydrophobicContact CE1-CD1 3.62Å; F1009-I1013 HydrophobicContact CE2-CD1 4.13Å; F1009-I1013 HydrophobicContact CG-CD1 4.46Å; F1009-I1013 HydrophobicContact CZ-CD1 3.69Å; F1009-I1013 WeakPolarHBondContact O-CG1 3.33Å; F1009-I1013 PolarHBondContact O-N 3.05Å; F1009-I1013 VanDerWaalsContact O-N 3.11Å; F1009-V1067 HydrophobicContact CD2-CG1 3.92Å; F1009-V1067 HydrophobicContact CE2-CG1 3.92Å
1010I83.9Confident85.2Confident10 Ų1026 Ų265%0.05113%0.132CC..Hα-helixtrans-62.9-48173.8-64.3162.1000110.2L593 L594 I596 F597 L1006 F1007 Q1008 S1012 I1013 V1014L593-I1010 HydrophobicContact CB-CG1 4.47Å; L593-I1010 HydrophobicContact CB-CG2 4.26Å; L593-I1010 HydrophobicContact CD1-CG2 4.33Å; L594-I1010 HydrophobicContact CD2-CG2 4.45Å; I596-I1010 HydrophobicContact CG2-CD1 3.77Å; I596-I1010 HydrophobicContact CG2-CG1 4.43Å; F597-I1010 HydrophobicContact CE2-CD1 4.1Å; F597-I1010 HydrophobicContact CZ-CD1 4.37Å; L1006-I1010 VanDerWaalsContact O-CG1 3.31Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.39Å; L1006-I1010 PolarHBondContact O-N 3.37Å; F1007-I1010 WeakPolarHBondContact O-CB 3.15Å; F1007-I1010 PolarHBondContact O-N 3.37Å; F1007-I1010 VanDerWaalsContact O-N 3.12Å; Q1008-I1010 VanDerWaalsContact C-N 3.34Å; Q1008-I1010 PolarHBondContact O-N 2.99Å; I1010-S1012 VanDerWaalsContact C-N 3.33Å; I1010-S1012 PolarHBondContact O-N 3.49Å; I1010-I1013 PolarHBondContact O-N 3.37Å; I1010-V1014 VanDerWaalsContact O-CG2 3.32Å; I1010-V1014 WeakPolarHBondContact O-CG2 3.18Å; I1010-V1014 PolarHBondContact O-N 3.47Å
1011F88.5Confident85.5Confident32 Ų3225.7 Ų25.714%0.1413%0.13CC..Hα-helixtrans-66.4-32.5178.4-85.7-98.3000112.7F1007 Q1008 V1014 A1015 L1074 F1111 I1114 F1115 V1118 F1119F1007-F1011 WeakPolarHBondContact O-CD2 3.12Å; F1007-F1011 PolarHBondContact O-N 2.97Å; Q1008-F1011 CarbonylContact O-C 3.34Å; Q1008-F1011 PolarHBondContact O-N 3.2Å; Q1008-F1011 VanDerWaalsContact O-N 3.12Å; F1011-V1014 WeakPolarHBondContact O-CB 3.35Å; F1011-V1014 PolarHBondContact O-N 2.95Å; F1011-A1015 WeakPolarHBondContact O-CB 3.34Å; F1011-A1015 PolarHBondContact O-N 2.88Å; F1011-L1074 HydrophobicContact CB-CD1 3.85Å; F1011-F1111 AromaticContact CD1-CE2 3.76Å; F1011-F1111 HydrophobicContact CD1-CE2 3.76Å; F1011-F1111 HydrophobicContact CD1-CZ 4.13Å; F1011-F1111 HydrophobicContact CE1-CE2 4.45Å; F1011-I1114 HydrophobicContact CE1-CG2 4.14Å; F1011-I1114 HydrophobicContact CZ-CG2 4.11Å; F1011-F1115 HydrophobicContact CB-CD2 4.23Å; F1011-F1115 HydrophobicContact CB-CE2 4.23Å; F1011-F1115 AromaticContact CD1-CD2 3.7Å; F1011-F1115 HydrophobicContact CD1-CD2 3.7Å; F1011-F1115 HydrophobicContact CD1-CE2 4.49Å; F1011-F1115 HydrophobicContact CE1-CB 4.45Å; F1011-F1115 HydrophobicContact CE1-CD2 4.22Å; F1011-F1115 HydrophobicContact CG-CD2 4.06Å; F1011-F1115 HydrophobicContact CG-CE2 4.43Å; F1011-V1118 HydrophobicContact CE2-CG1 4.41Å; F1011-V1118 HydrophobicContact CZ-CG2 4.39Å; F1011-F1119 HydrophobicContact CB-CE2 4.38Å; F1011-F1119 HydrophobicContact CD1-CE2 4.35Å; F1011-F1119 AromaticContact CD2-CE2 3.56Å; F1011-F1119 HydrophobicContact CD2-CE2 3.56Å; F1011-F1119 AromaticContact CD2-CZ 3.77Å; F1011-F1119 HydrophobicContact CD2-CZ 3.77Å; F1011-F1119 AromaticContact CE2-CE2 3.78Å; F1011-F1119 HydrophobicContact CE2-CE2 3.78Å; F1011-F1119 HydrophobicContact CE2-CZ 4.22Å; F1011-F1119 AromaticContact CG-CE2 3.86Å; F1011-F1119 HydrophobicContact CG-CE2 3.86Å; F1011-F1119 HydrophobicContact CG-CZ 4.29Å; F1011-F1119 HydrophobicContact CZ-CE2 4.26Å
1012S90.5Very high85.8Confident0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-63.4-42.9173.2-620000111.7Q1008 F1009 I1010 A1015 V1016 M1071Q1008-S1012 PolarHBondContact O-N 3.37Å; Q1008-S1012 PolarHBondContact O-OG 3Å; Q1008-S1012 VanDerWaalsContact O-OG 3.05Å; F1009-S1012 PolarHBondContact O-N 2.77Å; I1010-S1012 VanDerWaalsContact C-N 3.33Å; I1010-S1012 PolarHBondContact O-N 3.49Å; S1012-A1015 PolarHBondContact O-N 3.39Å; S1012-V1016 WeakPolarHBondContact O-CG2 3.38Å; S1012-V1016 PolarHBondContact O-N 3.23Å; S1012-M1071 VanDerWaalsContact OG-CA 3.28Å; S1012-M1071 WeakPolarHBondContact OG-CA 3.47Å; S1012-M1071 PolarHBondContact OG-N 2.94Å
1013I86.9Confident86.5Confident1 Ų122.4 Ų22.41%0.00511%0.107CC..Hα-helixtrans-68.2-39.3176.1-60.4162.7000111.1V510 L593 F1009 I1010 A1015 V1016 Q1017 V1067V510-I1013 HydrophobicContact CG1-CG2 3.67Å; L593-I1013 HydrophobicContact CD1-CB 3.67Å; L593-I1013 HydrophobicContact CD1-CD1 3.83Å; L593-I1013 HydrophobicContact CD1-CG1 4.37Å; L593-I1013 HydrophobicContact CD1-CG2 3.65Å; L593-I1013 HydrophobicContact CD2-CD1 4.2Å; F1009-I1013 HydrophobicContact CD1-CD1 4.02Å; F1009-I1013 HydrophobicContact CD2-CD1 4.49Å; F1009-I1013 HydrophobicContact CE1-CD1 3.62Å; F1009-I1013 HydrophobicContact CE2-CD1 4.13Å; F1009-I1013 HydrophobicContact CG-CD1 4.46Å; F1009-I1013 HydrophobicContact CZ-CD1 3.69Å; F1009-I1013 WeakPolarHBondContact O-CG1 3.33Å; F1009-I1013 PolarHBondContact O-N 3.05Å; F1009-I1013 VanDerWaalsContact O-N 3.11Å; I1010-I1013 PolarHBondContact O-N 3.37Å; I1013-A1015 VanDerWaalsContact C-N 3.28Å; I1013-A1015 PolarHBondContact O-N 3.46Å; I1013-V1016 PolarHBondContact O-N 3.47Å; I1013-Q1017 WeakPolarHBondContact O-CG 3.45Å; I1013-Q1017 PolarHBondContact O-N 3.31Å; I1013-V1067 HydrophobicContact CG1-CG1 4.04Å; I1013-V1067 HydrophobicContact CG1-CG2 3.94Å
1014V85.5Confident87.1Confident28 Ų2823.7 Ų23.717%0.1711%0.112CC..Hα-helixtrans-55.9-44.7171.1175.10000110.7I1010 F1011 Q1017 L1018 F1111I1010-V1014 VanDerWaalsContact O-CG2 3.32Å; I1010-V1014 WeakPolarHBondContact O-CG2 3.18Å; I1010-V1014 PolarHBondContact O-N 3.47Å; F1011-V1014 WeakPolarHBondContact O-CB 3.35Å; F1011-V1014 PolarHBondContact O-N 2.95Å; V1014-Q1017 PolarHBondContact O-N 2.81Å; V1014-L1018 HydrophobicContact CG1-CD1 3.91Å; V1014-L1018 WeakPolarHBondContact O-CG 3.34Å; V1014-L1018 PolarHBondContact O-N 3.36Å; V1014-L1018 VanDerWaalsContact O-N 3.07Å; V1014-F1111 HydrophobicContact CB-CE2 4.16Å; V1014-F1111 HydrophobicContact CG1-CD2 3.98Å; V1014-F1111 HydrophobicContact CG1-CE2 3.67Å
1015A89.3Confident87.4Confident0 Ų025.1 Ų25.10%012%0.118CC..Hα-helixtrans-67.5-42.7-179.300000112.6F1011 S1012 I1013 Q1017 L1018 F1019 Y1064 L1074 F1111F1011-A1015 WeakPolarHBondContact O-CB 3.34Å; F1011-A1015 PolarHBondContact O-N 2.88Å; S1012-A1015 PolarHBondContact O-N 3.39Å; I1013-A1015 VanDerWaalsContact C-N 3.28Å; I1013-A1015 PolarHBondContact O-N 3.46Å; A1015-Q1017 VanDerWaalsContact C-N 3.33Å; A1015-Q1017 PolarHBondContact O-N 3Å; A1015-L1018 PolarHBondContact O-N 3.38Å; A1015-L1018 VanDerWaalsContact O-N 3.17Å; A1015-F1019 HydrophobicContact CB-CD2 4.29Å; A1015-F1019 WeakPolarHBondContact O-CB 3.3Å; A1015-F1019 WeakPolarHBondContact O-CD2 3.24Å; A1015-F1019 PolarHBondContact O-N 3.37Å; A1015-Y1064 HydrophobicContact CB-CD1 3.43Å; A1015-Y1064 VanDerWaalsContact CB-CD1 3.43Å; A1015-Y1064 HydrophobicContact CB-CE1 3.55Å; A1015-Y1064 HydrophobicContact CB-CG 4.17Å; A1015-L1074 HydrophobicContact CB-CD1 4.48Å; A1015-F1111 HydrophobicContact CB-CE1 4.32Å; A1015-F1111 HydrophobicContact CB-CZ 3.84Å
1016V89.3Confident87.8Confident1 Ų121.6 Ų21.61%0.00610%0.1CC..Hα-helixtrans-56.5-48.1172.2174.30000110.2S1012 I1013 L1018 F1019 Q1020 Y1064 N1066 V1067 A1070S1012-V1016 WeakPolarHBondContact O-CG2 3.38Å; S1012-V1016 PolarHBondContact O-N 3.23Å; I1013-V1016 PolarHBondContact O-N 3.47Å; V1016-L1018 VanDerWaalsContact C-N 3.26Å; V1016-L1018 PolarHBondContact O-N 2.76Å; V1016-F1019 PolarHBondContact O-N 2.99Å; V1016-Q1020 HydrophobicContact CG1-CB 4.15Å; V1016-Q1020 WeakPolarHBondContact O-CB 3.22Å; V1016-Q1020 WeakPolarHBondContact O-CG 3.29Å; V1016-Q1020 PolarHBondContact O-N 3.26Å; V1016-Y1064 WeakPolarHBondContact CA-O 3.45Å; V1016-Y1064 WeakPolarHBondContact CG2-O 3.35Å; V1016-N1066 VanDerWaalsContact CG2-C 3.48Å; V1016-V1067 HydrophobicContact CG2-CG2 4.15Å; V1016-A1070 HydrophobicContact CG2-CB 3.79Å
1017Q84.1Confident88.3Confident26 Ų2622.2 Ų22.212%0.12110%0.104CC..Hα-helixtrans-65-24.4179.4-71.8-169.9-27.600114.4V510 E513 S590 I1013 V1014 A1015V510-Q1017 VanDerWaalsContact CG1-NE2 3.26Å; E513-Q1017 WeakPolarHBondContact OE2-CG 3.35Å; E513-Q1017 PolarHBondContact OE2-NE2 3.44Å; S590-Q1017 PolarHBondContact OG-OE1 3.37Å; I1013-Q1017 WeakPolarHBondContact O-CG 3.45Å; I1013-Q1017 PolarHBondContact O-N 3.31Å; V1014-Q1017 PolarHBondContact O-N 2.81Å; A1015-Q1017 VanDerWaalsContact C-N 3.33Å; A1015-Q1017 PolarHBondContact O-N 3Å
1018L83.6Confident88.7Confident21 Ų2121.3 Ų21.311%0.1110%0.1CC..Hα-helixtrans-85.1-38.9175.7-73.7170000113.2A587 V1014 A1015 V1016 K1022 M1108 F1111A587-L1018 HydrophobicContact CB-CD2 3.78Å; A587-L1018 HydrophobicContact CB-CG 4.1Å; V1014-L1018 HydrophobicContact CG1-CD1 3.91Å; V1014-L1018 WeakPolarHBondContact O-CG 3.34Å; V1014-L1018 PolarHBondContact O-N 3.36Å; V1014-L1018 VanDerWaalsContact O-N 3.07Å; A1015-L1018 PolarHBondContact O-N 3.38Å; A1015-L1018 VanDerWaalsContact O-N 3.17Å; V1016-L1018 VanDerWaalsContact C-N 3.26Å; V1016-L1018 PolarHBondContact O-N 2.76Å; L1018-K1022 WeakPolarHBondContact O-CE 3.37Å; L1018-K1022 PolarHBondContact O-NZ 2.9Å; L1018-M1108 HydrophobicContact CD2-CE 4.47Å; L1018-M1108 HydrophobicContact CD2-SD 4.19Å; L1018-F1111 HydrophobicContact CD1-CD2 4.02Å; L1018-F1111 HydrophobicContact CD1-CG 4.33Å
1019F89.4Confident88.6Confident2 Ų227.6 Ų27.61%0.00913%0.133CC..Hα-helixtrans-125.8-7.9-158.1-59.2-58.4000116.1A1015 V1016 G1021 K1022 F1023 Y1064 M1108 F1111 Y1112A1015-F1019 HydrophobicContact CB-CD2 4.29Å; A1015-F1019 WeakPolarHBondContact O-CB 3.3Å; A1015-F1019 WeakPolarHBondContact O-CD2 3.24Å; A1015-F1019 PolarHBondContact O-N 3.37Å; V1016-F1019 PolarHBondContact O-N 2.99Å; F1019-G1021 PolarHBondContact O-N 3.42Å; F1019-K1022 PolarHBondContact O-N 3.11Å; F1019-K1022 VanDerWaalsContact O-N 3.12Å; F1019-F1023 HydrophobicContact CB-CD2 4.09Å; F1019-F1023 HydrophobicContact CB-CE2 3.73Å; F1019-F1023 AromaticContact CD1-CE2 3.84Å; F1019-F1023 HydrophobicContact CD1-CE2 3.84Å; F1019-F1023 AromaticContact CG-CE2 3.88Å; F1019-F1023 HydrophobicContact CG-CE2 3.88Å; F1019-Y1064 HydrophobicContact CB-CD2 3.76Å; F1019-Y1064 HydrophobicContact CB-CG 4Å; F1019-Y1064 AromaticContact CD2-CD2 3.75Å; F1019-Y1064 HydrophobicContact CD2-CD2 3.75Å; F1019-Y1064 HydrophobicContact CD2-CE2 4.02Å; F1019-Y1064 HydrophobicContact CD2-CG 4.15Å; F1019-Y1064 HydrophobicContact CG-CD2 4.01Å; F1019-M1108 HydrophobicContact CE1-CB 4.08Å; F1019-M1108 HydrophobicContact CE1-CG 3.94Å; F1019-M1108 HydrophobicContact CE1-SD 4.14Å; F1019-M1108 HydrophobicContact CZ-CB 4.07Å; F1019-M1108 HydrophobicContact CZ-CG 4.3Å; F1019-M1108 HydrophobicContact CZ-SD 4.3Å; F1019-F1111 HydrophobicContact CE2-CD1 4.24Å; F1019-F1111 HydrophobicContact CE2-CE1 4.47Å; F1019-Y1112 HydrophobicContact CZ-CE2 4.45Å
1020Q88.7Confident88.6Confident49 Ų4928.2 Ų28.223%0.22915%0.146CC..THydrogen-bonded Turntrans-52.3129.7179.365.1-175.9-2900112.2V1016 K1022V1016-Q1020 HydrophobicContact CG1-CB 4.15Å; V1016-Q1020 WeakPolarHBondContact O-CB 3.22Å; V1016-Q1020 WeakPolarHBondContact O-CG 3.29Å; V1016-Q1020 PolarHBondContact O-N 3.26Å; Q1020-K1022 PolarHBondContact O-N 2.94Å
1021G87.3Confident89Confident0 Ų030.8 Ų30.80%016%0.156CC..THydrogen-bonded Turntrans68.46.4178.200000116.5F1019 D1065 N1097F1019-G1021 PolarHBondContact O-N 3.42Å; G1021-D1065 WeakPolarHBondContact CA-OD1 3.48Å; G1021-D1065 PolarHBondContact N-OD1 2.78Å; G1021-N1097 PolarHBondContact O-N 3.37Å
1022K90.2Very high89Confident53 Ų5332.5 Ų32.523%0.2317%0.167CC..  trans-100.3-5.5177-57.9-178.3178.7171.50114L1018 F1019 Q1020 F1024 A1093 T1094 V1096L1018-K1022 WeakPolarHBondContact O-CE 3.37Å; L1018-K1022 PolarHBondContact O-NZ 2.9Å; F1019-K1022 PolarHBondContact O-N 3.11Å; F1019-K1022 VanDerWaalsContact O-N 3.12Å; Q1020-K1022 PolarHBondContact O-N 2.94Å; K1022-F1024 VanDerWaalsContact C-N 3.29Å; K1022-F1024 PolarHBondContact O-N 3.39Å; K1022-A1093 HydrophobicContact CB-CB 4.17Å; K1022-T1094 WeakPolarHBondContact CD-O 3.34Å; K1022-T1094 WeakPolarHBondContact CE-O 2.99Å; K1022-V1096 HydrophobicContact CG-CG2 4.34Å
1023F92.7Very high89.1Confident5 Ų534.1 Ų34.12%0.02218%0.177CC..  trans-94.925.5-175.2-89.7-124.5000112.4F1019 S1059 R1060 F1062 H1063 Y1064 N1089 S1090 A1093F1019-F1023 HydrophobicContact CB-CD2 4.09Å; F1019-F1023 HydrophobicContact CB-CE2 3.73Å; F1019-F1023 AromaticContact CD1-CE2 3.84Å; F1019-F1023 HydrophobicContact CD1-CE2 3.84Å; F1019-F1023 AromaticContact CG-CE2 3.88Å; F1019-F1023 HydrophobicContact CG-CE2 3.88Å; F1023-S1059 CarbonylContact O-C 3.31Å; F1023-S1059 WeakPolarHBondContact O-CA 3.39Å; F1023-R1060 HydrophobicContact CD1-CB 4.27Å; F1023-R1060 HydrophobicContact CD1-CG 4.47Å; F1023-R1060 PolarHBondContact O-N 3.05Å; F1023-F1062 VanDerWaalsContact CD1-O 3.24Å; F1023-F1062 WeakPolarHBondContact CD1-O 3.42Å; F1023-H1063 HydrophobicContact CB-CB 3.98Å; F1023-H1063 HydrophobicContact CD1-CB 4.18Å; F1023-H1063 HydrophobicContact CG-CB 4.41Å; F1023-Y1064 HydrophobicContact CD1-CD2 4.44Å; F1023-Y1064 AromaticContact CE1-CD2 3.85Å; F1023-Y1064 HydrophobicContact CE1-CD2 3.85Å; F1023-Y1064 AromaticContact CE1-CE2 3.99Å; F1023-Y1064 HydrophobicContact CE1-CE2 3.99Å; F1023-Y1064 AromaticContact CE2-CD2 3.97Å; F1023-Y1064 HydrophobicContact CE2-CD2 3.97Å; F1023-Y1064 HydrophobicContact CE2-CE2 4.49Å; F1023-Y1064 AromaticContact CZ-CD2 3.59Å; F1023-Y1064 HydrophobicContact CZ-CD2 3.59Å; F1023-Y1064 AromaticContact CZ-CE2 3.74Å; F1023-Y1064 HydrophobicContact CZ-CE2 3.74Å; F1023-N1089 HydrophobicContact CE1-CB 3.99Å; F1023-N1089 HydrophobicContact CZ-CB 4.34Å; F1023-S1090 WeakPolarHBondContact CZ-OG 3.21Å; F1023-A1093 HydrophobicContact CE2-CB 4.41Å
1024F92.4Very high89.2Confident30 Ų3040.1 Ų40.113%0.13220%0.202CC..EExtended strand (participates in β ladder)trans-96.4150.2174.1-72.4-82.7000111.2Y515 K1022 W1057 S1058 P1100Y515-F1024 HydrophobicContact CD1-CE2 4.04Å; Y515-F1024 HydrophobicContact CD1-CZ 4.27Å; Y515-F1024 AromaticContact CE1-CE2 3.48Å; Y515-F1024 HydrophobicContact CE1-CE2 3.48Å; Y515-F1024 VanDerWaalsContact CE1-CE2 3.48Å; Y515-F1024 AromaticContact CE1-CZ 3.6Å; Y515-F1024 HydrophobicContact CE1-CZ 3.6Å; Y515-F1024 HydrophobicContact CE2-CE2 4.31Å; Y515-F1024 AromaticContact CZ-CE2 3.63Å; K1022-F1024 VanDerWaalsContact C-N 3.29Å; K1022-F1024 PolarHBondContact O-N 3.39Å; F1024-W1057 HydrophobicContact CB-CH2 4.31Å; F1024-W1057 HydrophobicContact CB-CZ2 3.43Å; F1024-W1057 VanDerWaalsContact CB-CZ2 3.43Å; F1024-W1057 AromaticContact CD1-CD1 3.81Å; F1024-W1057 AromaticContact CD1-NE1 3.37Å; F1024-W1057 HydrophobicContact CG-CZ2 4.27Å; F1024-W1057 AromaticContact CG-NE1 3.55Å; F1024-S1058 CarbonylContact C-O 3.59Å; F1024-S1058 WeakPolarHBondContact CA-O 3.43Å; F1024-P1100 WeakPolarHBondContact O-CD 3.45Å
1025Y92.6Very high89.5Confident53 Ų5346.6 Ų46.621%0.20823%0.231CC..EExtended strand (participates in β ladder)trans-144.6157174.171-70.9000110.6S1058 R1060Y1025-S1058 WeakPolarHBondContact CD1-O 3.17Å; Y1025-S1058 WeakPolarHBondContact CE1-OG 3.33Å; Y1025-S1058 PolarHBondContact N-O 3.49Å; Y1025-S1058 PolarHBondContact O-N 2.84Å; Y1025-S1058 PolarHBondContact OH-OG 2.69Å; Y1025-R1060 HydrophobicContact CD1-CG 4.31Å; Y1025-R1060 VanDerWaalsContact CD2-NH1 3.26Å; Y1025-R1060 VanDerWaalsContact CG-NH1 3.34Å
1026C93.4Very high89.5Confident3 Ų350.9 Ų50.92%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-93142.7160-163.90000108.6D1028 K1031 C1037 W1057C1026-D1028 WeakPolarHBondContact CB-O 3.36Å; C1026-D1028 PolarHBondContact O-N 2.85Å; C1026-K1031 HydrophobicContact CB-CB 4.09Å; C1026-K1031 VanDerWaalsContact CB-O 3.24Å; C1026-K1031 WeakPolarHBondContact CB-O 3.43Å; C1026-C1037 VanDerWaalsContact CA-SG 3.53Å; C1026-C1037 HydrophobicContact CB-CB 3.73Å; C1026-C1037 WeakPolarHBondContact CB-SG 3.25Å; C1026-C1037 VanDerWaalsContact SG-CA 3.6Å; C1026-C1037 WeakPolarHBondContact SG-CB 3.34Å; C1026-C1037 CovalentContact SG-SG 2.03Å; C1026-C1037 PolarHBondContact SG-SG 2.85Å; C1026-W1057 HydrophobicContact CB-CE3 4.01Å; C1026-W1057 HydrophobicContact CB-CZ3 4.24Å
1027N90.5Very high89.7Confident53 Ų5351.2 Ų51.228%0.28326%0.256SS..SBendtrans-67.2-24.8170.560.4-10.4000113.1L1029 F1041 A1054 R1055 V1056N1027-L1029 PolarHBondContact O-N 3.09Å; N1027-F1041 HydrophobicContact CB-CE1 4.36Å; N1027-F1041 HydrophobicContact CB-CZ 4.26Å; N1027-A1054 PolarHBondContact ND2-O 3.3Å; N1027-R1055 VanDerWaalsContact OD1-CA 3.31Å; N1027-R1055 WeakPolarHBondContact OD1-CA 3.21Å; N1027-V1056 PolarHBondContact N-O 3.22Å; N1027-V1056 PolarHBondContact OD1-N 3.02Å; N1027-V1056 PolarHBondContact OD1-O 2.97Å
1028D90.3Very high90Very high16 Ų1656 Ų569%0.08628%0.278CS..SBendtrans-82.698.9159.6-179.1-13.8000109.2C1026 S1030 K1031 F1041 R1055C1026-D1028 WeakPolarHBondContact CB-O 3.36Å; C1026-D1028 PolarHBondContact O-N 2.85Å; D1028-S1030 VanDerWaalsContact CG-OG 3.3Å; D1028-S1030 PolarHBondContact O-N 2.79Å; D1028-S1030 VanDerWaalsContact OD1-CB 3.24Å; D1028-S1030 WeakPolarHBondContact OD1-CB 3.18Å; D1028-S1030 PolarHBondContact OD1-N 2.67Å; D1028-S1030 PolarHBondContact OD1-OG 2.96Å; D1028-S1030 PolarHBondContact OD2-OG 3.07Å; D1028-K1031 HydrophobicContact CB-CG 4.13Å; D1028-K1031 PolarHBondContact O-N 3.17Å; D1028-F1041 HydrophobicContact CB-CB 4.03Å; D1028-F1041 HydrophobicContact CB-CD1 4Å; D1028-F1041 HydrophobicContact CB-CD2 3.94Å; D1028-F1041 HydrophobicContact CB-CE1 4.42Å; D1028-F1041 HydrophobicContact CB-CE2 4.37Å; D1028-F1041 HydrophobicContact CB-CG 3.74Å; D1028-F1041 WeakPolarHBondContact OD2-CB 3.12Å; D1028-R1055 HydrophobicContact CB-CG 4.05Å; D1028-R1055 IonicContact OD2-CZ 3.38Å; D1028-R1055 IonicContact OD2-NE 2.83Å; D1028-R1055 PolarHBondContact OD2-NE 2.94Å; D1028-R1055 IonicContact OD2-NH2 2.72Å; D1028-R1055 PolarHBondContact OD2-NH2 3.34Å
1029L84.6Confident90.3Very high134 Ų13457.1 Ų57.170%0.70230%0.295SS*.THydrogen-bonded Turntrans-58.8-13.5-179.3-65.1176.4000114.1N1027 K1031N1027-L1029 PolarHBondContact O-N 3.09Å; L1029-K1031 PolarHBondContact O-N 2.84Å
1030S87.8Confident90.5Very high76 Ų7664.9 Ų64.953%0.53133%0.325SS..THydrogen-bonded Turntrans-76.4-6.6172.779.50000114D1028D1028-S1030 VanDerWaalsContact CG-OG 3.3Å; D1028-S1030 PolarHBondContact O-N 2.79Å; D1028-S1030 VanDerWaalsContact OD1-CB 3.24Å; D1028-S1030 WeakPolarHBondContact OD1-CB 3.18Å; D1028-S1030 PolarHBondContact OD1-N 2.67Å; D1028-S1030 PolarHBondContact OD1-OG 2.96Å; D1028-S1030 PolarHBondContact OD2-OG 3.07Å
1031K91.2Very high90.6Very high64 Ų6463.7 Ų63.728%0.27832%0.32SS..  trans-114.7105.7-175.1-52.6-55.1166.3-147.90111.3C1026 D1028 L1029 D1036 C1037C1026-K1031 HydrophobicContact CB-CB 4.09Å; C1026-K1031 VanDerWaalsContact CB-O 3.24Å; C1026-K1031 WeakPolarHBondContact CB-O 3.43Å; D1028-K1031 HydrophobicContact CB-CG 4.13Å; D1028-K1031 PolarHBondContact O-N 3.17Å; L1029-K1031 PolarHBondContact O-N 2.84Å; K1031-D1036 HydrophobicContact CB-CB 3.92Å; K1031-D1036 HydrophobicContact CD-CB 4Å; K1031-D1036 HydrophobicContact CG-CB 4.34Å; K1031-C1037 HydrophobicContact CB-CB 4.49Å
1032L89.9Confident90.7Very high68 Ų6869.9 Ų69.936%0.35635%0.347SS..  trans-88.8-5.4-176.2-63.8178.7000114.5H1098 G1099 V1101L1032-H1098 CarbonylContact O-C 3.43Å; L1032-H1098 WeakPolarHBondContact O-CA 3.39Å; L1032-G1099 PolarHBondContact O-N 3.25Å; L1032-V1101 HydrophobicContact CD1-CG2 4.08Å; L1032-V1101 HydrophobicContact CD2-CG2 4Å
1033T91.4Very high90.4Very high34 Ų3467.4 Ų67.421%0.20934%0.336CS..BIsolated β-bridgetrans-125.6156.6177.5820000112.3E1035 D1036 C1037 W1057T1033-E1035 PolarHBondContact O-N 2.92Å; T1033-E1035 PolarHBondContact OG1-N 3.05Å; T1033-D1036 WeakPolarHBondContact CB-OD2 3.24Å; T1033-D1036 WeakPolarHBondContact CG2-OD2 3.39Å; T1033-D1036 PolarHBondContact O-N 2.93Å; T1033-D1036 WeakPolarHBondContact OG1-CB 3.43Å; T1033-D1036 VanDerWaalsContact OG1-CG 3.25Å; T1033-D1036 PolarHBondContact OG1-N 3.46Å; T1033-D1036 PolarHBondContact OG1-OD2 3.09Å; T1033-C1037 VanDerWaalsContact O-CB 3.3Å; T1033-C1037 WeakPolarHBondContact O-CB 3.42Å; T1033-C1037 PolarHBondContact O-N 2.89Å; T1033-W1057 VanDerWaalsContact C-CZ3 3.45Å
1034K89.5Confident89.8Confident126 Ų12674.4 Ų74.455%0.54836%0.364SS..THydrogen-bonded Turntrans-62.9-24.7172.6-174.6174.7177.8-179.30113.5W1057K1034-W1057 HydrophobicContact CB-CD2 3.83Å; K1034-W1057 HydrophobicContact CB-CE3 4.39Å; K1034-W1057 HydrophobicContact CB-CG 4Å; K1034-W1057 HydrophobicContact CB-CZ2 4.3Å; K1034-W1057 HydrophobicContact CD-CG 4.34Å; K1034-W1057 HydrophobicContact CG-CB 4.26Å; K1034-W1057 HydrophobicContact CG-CD2 4.22Å; K1034-W1057 HydrophobicContact CG-CG 3.83Å
1035E90.7Very high88.6Confident165 Ų16579.1 Ų79.177%0.77139%0.39SS*.THydrogen-bonded Turntrans-77.8-40.7177.3-61.9-172.2-179.100110.7T1033 C1037 Q1038T1033-E1035 PolarHBondContact O-N 2.92Å; T1033-E1035 PolarHBondContact OG1-N 3.05Å; E1035-C1037 VanDerWaalsContact C-N 3.35Å; E1035-Q1038 PolarHBondContact O-NE2 2.95Å
1036D90.6Very high87.2Confident90 Ų9080.4 Ų80.448%0.48140%0.401SS..THydrogen-bonded Turntrans-68.4-29.7173.2-67.8-58.5000113.6K1031 T1033 Q1038K1031-D1036 HydrophobicContact CB-CB 3.92Å; K1031-D1036 HydrophobicContact CD-CB 4Å; K1031-D1036 HydrophobicContact CG-CB 4.34Å; T1033-D1036 WeakPolarHBondContact CB-OD2 3.24Å; T1033-D1036 WeakPolarHBondContact CG2-OD2 3.39Å; T1033-D1036 PolarHBondContact O-N 2.93Å; T1033-D1036 WeakPolarHBondContact OG1-CB 3.43Å; T1033-D1036 VanDerWaalsContact OG1-CG 3.25Å; T1033-D1036 PolarHBondContact OG1-N 3.46Å; T1033-D1036 PolarHBondContact OG1-OD2 3.09Å; D1036-Q1038 PolarHBondContact O-N 3.37Å
1037C92.4Very high85.7Confident7 Ų781.3 Ų81.35%0.04741%0.41CS..SBendtrans-7957.4-175.2-167.40000113.1C1026 K1031 T1033 E1035 V1056 W1057C1026-C1037 VanDerWaalsContact CA-SG 3.53Å; C1026-C1037 HydrophobicContact CB-CB 3.73Å; C1026-C1037 WeakPolarHBondContact CB-SG 3.25Å; C1026-C1037 VanDerWaalsContact SG-CA 3.6Å; C1026-C1037 WeakPolarHBondContact SG-CB 3.34Å; C1026-C1037 CovalentContact SG-SG 2.03Å; C1026-C1037 PolarHBondContact SG-SG 2.85Å; K1031-C1037 HydrophobicContact CB-CB 4.49Å; T1033-C1037 VanDerWaalsContact O-CB 3.3Å; T1033-C1037 WeakPolarHBondContact O-CB 3.42Å; T1033-C1037 PolarHBondContact O-N 2.89Å; E1035-C1037 VanDerWaalsContact C-N 3.35Å; C1037-V1056 PolarHBondContact SG-O 3.33Å; C1037-V1056 VanDerWaalsContact SG-O 3.37Å; C1037-W1057 HydrophobicContact CB-CB 4.24Å; C1037-W1057 HydrophobicContact CB-CE3 3.76Å
1038Q89.9Confident84.5Confident127 Ų12787.3 Ų87.359%0.59344%0.441SS*.  trans-133.2155.4-178.9-59.8-175.428.400112.6E1035 D1036 R1055E1035-Q1038 PolarHBondContact O-NE2 2.95Å; D1036-Q1038 PolarHBondContact O-N 3.37Å; Q1038-R1055 WeakPolarHBondContact O-CD 3.25Å; Q1038-R1055 PolarHBondContact O-NH1 3.21Å
1039G91.6Very high83.7Confident45 Ų4592.2 Ų92.246%0.46447%0.472SS..SBendtrans83.5-136.8-178.900000113.4R1055G1039-R1055 PolarHBondContact O-N 3.09Å
1040Y91.8Very high83.5Confident164 Ų16488.4 Ų88.464%0.64346%0.455SS*.EExtended strand (participates in β ladder)trans-131.2155.1-175.2-59.6-90.6000111.9V1052 A1054 R1055Y1040-V1052 HydrophobicContact CD1-CG1 4.08Å; Y1040-V1052 HydrophobicContact CG-CG1 4.27Å; Y1040-A1054 HydrophobicContact CD1-CB 3.9Å; Y1040-A1054 HydrophobicContact CE1-CB 3.88Å; Y1040-R1055 PolarHBondContact O-NH1 2.85Å; Y1040-R1055 PolarHBondContact O-NH2 3.46Å; Y1040-R1055 VanDerWaalsContact O-NH2 3.11Å
1041F91.5Very high83.2Confident24 Ų2487.8 Ų87.811%0.10545%0.448CS..EExtended strand (participates in β ladder)trans-136.8166.3175.177.3-74000111.3N1027 D1028 V1052 K1053 R1055N1027-F1041 HydrophobicContact CB-CE1 4.36Å; N1027-F1041 HydrophobicContact CB-CZ 4.26Å; D1028-F1041 HydrophobicContact CB-CB 4.03Å; D1028-F1041 HydrophobicContact CB-CD1 4Å; D1028-F1041 HydrophobicContact CB-CD2 3.94Å; D1028-F1041 HydrophobicContact CB-CE1 4.42Å; D1028-F1041 HydrophobicContact CB-CE2 4.37Å; D1028-F1041 HydrophobicContact CB-CG 3.74Å; D1028-F1041 WeakPolarHBondContact OD2-CB 3.12Å; F1041-V1052 WeakPolarHBondContact O-CA 3.2Å; F1041-K1053 HydrophobicContact CD1-CB 4.26Å; F1041-K1053 VanDerWaalsContact CD1-O 3.23Å; F1041-K1053 WeakPolarHBondContact CD1-O 3.47Å; F1041-K1053 HydrophobicContact CE1-CB 3.61Å; F1041-K1053 HydrophobicContact CZ-CB 3.87Å; F1041-K1053 PolarHBondContact N-O 3.07Å; F1041-K1053 PolarHBondContact O-N 3.47Å; F1041-K1053 VanDerWaalsContact O-N 3.09Å; F1041-R1055 HydrophobicContact CB-CG 4.42Å; F1041-R1055 HydrophobicContact CD1-CG 3.99Å
1042F89.9Confident83.1Confident130 Ų13089 Ų8957%0.5746%0.46SS*.EExtended strand (participates in β ladder)trans-94.6116.9173.5-63.3-72.2000109.1Y1044 P1050 V1052F1042-Y1044 HydrophobicContact CB-CE2 4.13Å; F1042-P1050 HydrophobicContact CB-CB 4.05Å; F1042-P1050 HydrophobicContact CD1-CB 4.07Å; F1042-P1050 HydrophobicContact CG-CB 4.4Å; F1042-V1052 HydrophobicContact CD1-CG2 3.94Å; F1042-V1052 HydrophobicContact CE1-CG2 3.75Å
1043S83.3Confident82.9Confident1 Ų188.6 Ų88.61%0.00746%0.456CS..EExtended strand (participates in β ladder)trans-86.2133.9169.6161.30000109.3D1045 D1046 P1050 V1051 K1053S1043-D1045 VanDerWaalsContact OG-CG 3.23Å; S1043-D1045 PolarHBondContact OG-N 3.38Å; S1043-D1045 PolarHBondContact OG-OD2 3.2Å; S1043-D1046 PolarHBondContact OG-OD2 2.78Å; S1043-D1046 VanDerWaalsContact OG-OD2 3.1Å; S1043-P1050 CarbonylContact O-C 3.54Å; S1043-P1050 VanDerWaalsContact O-CA 3.28Å; S1043-P1050 WeakPolarHBondContact O-CA 3.34Å; S1043-V1051 WeakPolarHBondContact CB-O 3.4Å; S1043-V1051 PolarHBondContact N-O 2.92Å; S1043-V1051 PolarHBondContact O-N 2.91Å; S1043-K1053 VanDerWaalsContact CB-CD 3.5Å; S1043-K1053 WeakPolarHBondContact OG-CE 3.4Å; S1043-K1053 PolarHBondContact OG-NZ 3.47Å
1044Y80.4Confident82.9Confident153 Ų15389.1 Ų89.160%0.646%0.464SS*.  trans-109-1.4173.3-66.5-88.9000111.9F1042 D1046 G1047 P1050F1042-Y1044 HydrophobicContact CB-CE2 4.13Å; Y1044-D1046 PolarHBondContact O-N 3.41Å; Y1044-G1047 PolarHBondContact O-N 3.04Å; Y1044-G1047 VanDerWaalsContact O-N 3.13Å; Y1044-P1050 HydrophobicContact CD1-CB 4.21Å; Y1044-P1050 HydrophobicContact CE1-CB 3.83Å; Y1044-P1050 HydrophobicContact CE1-CG 4.33Å
1045D68.1Low83.1Confident128 Ų12885.9 Ų85.968%0.68445%0.448SS*.THydrogen-bonded Turntrans-59.3-35.6-174.9-29.5-33.3000111.7S1043 G1047 K1053S1043-D1045 VanDerWaalsContact OG-CG 3.23Å; S1043-D1045 PolarHBondContact OG-N 3.38Å; S1043-D1045 PolarHBondContact OG-OD2 3.2Å; D1045-G1047 VanDerWaalsContact C-N 3.28Å; D1045-G1047 PolarHBondContact O-N 3.14Å; D1045-K1053 IonicContact OD2-NZ 2.66Å; D1045-K1053 PolarHBondContact OD2-NZ 2.69Å; D1045-K1053 VanDerWaalsContact OD2-NZ 3.13Å
1046D61.8Low83.1Confident81 Ų8181.7 Ų81.743%0.43343%0.433SS..THydrogen-bonded Turntrans-87.14.2-174.8-33.5-66000112.5S1043 Y1044 V1051 K1053S1043-D1046 PolarHBondContact OG-OD2 2.78Å; S1043-D1046 VanDerWaalsContact OG-OD2 3.1Å; Y1044-D1046 PolarHBondContact O-N 3.41Å; D1046-V1051 HydrophobicContact CB-CG2 4.01Å; D1046-V1051 WeakPolarHBondContact OD2-CB 3.41Å; D1046-V1051 WeakPolarHBondContact OD2-CG2 3.17Å; D1046-K1053 VanDerWaalsContact CG-NZ 3.26Å; D1046-K1053 IonicContact OD1-NZ 3.05Å; D1046-K1053 PolarHBondContact OD1-NZ 2.9Å; D1046-K1053 WeakPolarHBondContact OD2-CE 3.45Å; D1046-K1053 IonicContact OD2-NZ 2.84Å; D1046-K1053 PolarHBondContact OD2-NZ 2.95Å
1047G62Low83.3Confident22 Ų2279.2 Ų79.223%0.22742%0.417CS..  trans127.3-166.8172.800000115.4Y1044 D1045 V1049Y1044-G1047 PolarHBondContact O-N 3.04Å; Y1044-G1047 VanDerWaalsContact O-N 3.13Å; D1045-G1047 VanDerWaalsContact C-N 3.28Å; D1045-G1047 PolarHBondContact O-N 3.14Å; G1047-V1049 PolarHBondContact O-N 2.73Å; G1047-V1049 VanDerWaalsContact O-N 3.08Å
1048L65.3Low83.2Confident178 Ų17880.5 Ų80.593%0.93243%0.426SS*.SBendtrans-62.6-14.8-176.5-74.6163.2000114.8
1049V74.1Confident83.2Confident119 Ų11976.7 Ų76.772%0.72141%0.414SS*.SBendtrans-101.1115178.2-178.70000108.9G1047 V1051G1047-V1049 PolarHBondContact O-N 2.73Å; G1047-V1049 VanDerWaalsContact O-N 3.08Å; V1049-V1051 PolarHBondContact O-N 3.38Å
1050P80.1Confident83.2Confident55 Ų5577.3 Ų77.336%0.35740%0.402SS..  trans-70.1121.5-173.525.5-33.3000112.5F1042 S1043 Y1044F1042-P1050 HydrophobicContact CB-CB 4.05Å; F1042-P1050 HydrophobicContact CD1-CB 4.07Å; F1042-P1050 HydrophobicContact CG-CB 4.4Å; S1043-P1050 CarbonylContact O-C 3.54Å; S1043-P1050 VanDerWaalsContact O-CA 3.28Å; S1043-P1050 WeakPolarHBondContact O-CA 3.34Å; Y1044-P1050 HydrophobicContact CD1-CB 4.21Å; Y1044-P1050 HydrophobicContact CE1-CB 3.83Å; Y1044-P1050 HydrophobicContact CE1-CG 4.33Å
1051V81.4Confident83Confident62 Ų6274.8 Ų74.838%0.37640%0.4SS..EExtended strand (participates in β ladder)trans-86.9132.1176.9179.80000109.8S1043 D1046 V1049 K1053S1043-V1051 WeakPolarHBondContact CB-O 3.4Å; S1043-V1051 PolarHBondContact N-O 2.92Å; S1043-V1051 PolarHBondContact O-N 2.91Å; D1046-V1051 HydrophobicContact CB-CG2 4.01Å; D1046-V1051 WeakPolarHBondContact OD2-CB 3.41Å; D1046-V1051 WeakPolarHBondContact OD2-CG2 3.17Å; V1049-V1051 PolarHBondContact O-N 3.38Å; V1051-K1053 HydrophobicContact CG1-CG 4.13Å; V1051-K1053 PolarHBondContact O-N 3.34Å; V1051-K1053 VanDerWaalsContact O-N 3.16Å
1052V88.3Confident83.1Confident89 Ų8974.8 Ų74.854%0.53940%0.4SS..EExtended strand (participates in β ladder)trans-8295.9178.1-177.30000109.8Y1040 F1041 F1042Y1040-V1052 HydrophobicContact CD1-CG1 4.08Å; Y1040-V1052 HydrophobicContact CG-CG1 4.27Å; F1041-V1052 WeakPolarHBondContact O-CA 3.2Å; F1042-V1052 HydrophobicContact CD1-CG2 3.94Å; F1042-V1052 HydrophobicContact CE1-CG2 3.75Å
1053K86.8Confident83.2Confident61 Ų6170.5 Ų70.527%0.26538%0.381SS..EExtended strand (participates in β ladder)trans-93145.9174.6-63.7-175.4-171.6162.30109.7F1041 S1043 D1045 D1046 V1051F1041-K1053 HydrophobicContact CD1-CB 4.26Å; F1041-K1053 VanDerWaalsContact CD1-O 3.23Å; F1041-K1053 WeakPolarHBondContact CD1-O 3.47Å; F1041-K1053 HydrophobicContact CE1-CB 3.61Å; F1041-K1053 HydrophobicContact CZ-CB 3.87Å; F1041-K1053 PolarHBondContact N-O 3.07Å; F1041-K1053 PolarHBondContact O-N 3.47Å; F1041-K1053 VanDerWaalsContact O-N 3.09Å; S1043-K1053 VanDerWaalsContact CB-CD 3.5Å; S1043-K1053 WeakPolarHBondContact OG-CE 3.4Å; S1043-K1053 PolarHBondContact OG-NZ 3.47Å; D1045-K1053 IonicContact OD2-NZ 2.66Å; D1045-K1053 PolarHBondContact OD2-NZ 2.69Å; D1045-K1053 VanDerWaalsContact OD2-NZ 3.13Å; D1046-K1053 VanDerWaalsContact CG-NZ 3.26Å; D1046-K1053 IonicContact OD1-NZ 3.05Å; D1046-K1053 PolarHBondContact OD1-NZ 2.9Å; D1046-K1053 WeakPolarHBondContact OD2-CE 3.45Å; D1046-K1053 IonicContact OD2-NZ 2.84Å; D1046-K1053 PolarHBondContact OD2-NZ 2.95Å; V1051-K1053 HydrophobicContact CG1-CG 4.13Å; V1051-K1053 PolarHBondContact O-N 3.34Å; V1051-K1053 VanDerWaalsContact O-N 3.16Å
1054A92.2Very high83.7Confident45 Ų4570.4 Ų70.437%0.37238%0.381SS..EExtended strand (participates in β ladder)trans-78.6143.117700000110.5N1027 Y1040 V1056N1027-A1054 PolarHBondContact ND2-O 3.3Å; Y1040-A1054 HydrophobicContact CD1-CB 3.9Å; Y1040-A1054 HydrophobicContact CE1-CB 3.88Å; A1054-V1056 PolarHBondContact O-N 2.85Å
1055R93.2Very high84.3Confident57 Ų5763.8 Ų63.822%0.21536%0.356CS..PPolyproline II helixtrans-71127.9174-70-160.5-173.272.718.7110.4N1027 D1028 Q1038 G1039 Y1040 F1041N1027-R1055 VanDerWaalsContact OD1-CA 3.31Å; N1027-R1055 WeakPolarHBondContact OD1-CA 3.21Å; D1028-R1055 HydrophobicContact CB-CG 4.05Å; D1028-R1055 IonicContact OD2-CZ 3.38Å; D1028-R1055 IonicContact OD2-NE 2.83Å; D1028-R1055 PolarHBondContact OD2-NE 2.94Å; D1028-R1055 IonicContact OD2-NH2 2.72Å; D1028-R1055 PolarHBondContact OD2-NH2 3.34Å; Q1038-R1055 WeakPolarHBondContact O-CD 3.25Å; Q1038-R1055 PolarHBondContact O-NH1 3.21Å; G1039-R1055 PolarHBondContact O-N 3.09Å; Y1040-R1055 PolarHBondContact O-NH1 2.85Å; Y1040-R1055 PolarHBondContact O-NH2 3.46Å; Y1040-R1055 VanDerWaalsContact O-NH2 3.11Å; F1041-R1055 HydrophobicContact CB-CG 4.42Å; F1041-R1055 HydrophobicContact CD1-CG 3.99Å
1056V91.1Very high85.4Confident77 Ų7760.4 Ų60.447%0.46734%0.338SS..  trans-134.2129.4178.7-179.20000108.8N1027 C1037 A1054N1027-V1056 PolarHBondContact N-O 3.22Å; N1027-V1056 PolarHBondContact OD1-N 3.02Å; N1027-V1056 PolarHBondContact OD1-O 2.97Å; C1037-V1056 PolarHBondContact SG-O 3.33Å; C1037-V1056 VanDerWaalsContact SG-O 3.37Å; A1054-V1056 PolarHBondContact O-N 2.85Å
1057W93.1Very high86.8Confident39 Ų3957.4 Ų57.415%0.14832%0.322CS..EExtended strand (participates in β ladder)trans-95.2104.8173.4-175.8-92.3000109.6F1024 C1026 T1033 K1034 C1037 N1097F1024-W1057 HydrophobicContact CB-CH2 4.31Å; F1024-W1057 HydrophobicContact CB-CZ2 3.43Å; F1024-W1057 VanDerWaalsContact CB-CZ2 3.43Å; F1024-W1057 AromaticContact CD1-CD1 3.81Å; F1024-W1057 AromaticContact CD1-NE1 3.37Å; F1024-W1057 HydrophobicContact CG-CZ2 4.27Å; F1024-W1057 AromaticContact CG-NE1 3.55Å; C1026-W1057 HydrophobicContact CB-CE3 4.01Å; C1026-W1057 HydrophobicContact CB-CZ3 4.24Å; T1033-W1057 VanDerWaalsContact C-CZ3 3.45Å; K1034-W1057 HydrophobicContact CB-CD2 3.83Å; K1034-W1057 HydrophobicContact CB-CE3 4.39Å; K1034-W1057 HydrophobicContact CB-CG 4Å; K1034-W1057 HydrophobicContact CB-CZ2 4.3Å; K1034-W1057 HydrophobicContact CD-CG 4.34Å; K1034-W1057 HydrophobicContact CG-CB 4.26Å; K1034-W1057 HydrophobicContact CG-CD2 4.22Å; K1034-W1057 HydrophobicContact CG-CG 3.83Å; C1037-W1057 HydrophobicContact CB-CB 4.24Å; C1037-W1057 HydrophobicContact CB-CE3 3.76Å; W1057-N1097 WeakPolarHBondContact CH2-O 3.16Å; W1057-N1097 VanDerWaalsContact CZ2-O 3.29Å; W1057-N1097 WeakPolarHBondContact CZ2-O 3.44Å
1058S90.7Very high88.2Confident33 Ų3363 Ų6323%0.23135%0.345CS..EExtended strand (participates in β ladder)trans-119.6155.8-175.943.60000111.8F1024 Y1025F1024-S1058 CarbonylContact C-O 3.59Å; F1024-S1058 WeakPolarHBondContact CA-O 3.43Å; Y1025-S1058 WeakPolarHBondContact CD1-O 3.17Å; Y1025-S1058 WeakPolarHBondContact CE1-OG 3.33Å; Y1025-S1058 PolarHBondContact N-O 3.49Å; Y1025-S1058 PolarHBondContact O-N 2.84Å; Y1025-S1058 PolarHBondContact OH-OG 2.69Å
1059S90.2Very high89.4Confident48 Ų4856 Ų5634%0.33631%0.31SS..EExtended strand (participates in β ladder)trans-78.5152.7162.150.70000109.7F1023F1023-S1059 CarbonylContact O-C 3.31Å; F1023-S1059 WeakPolarHBondContact O-CA 3.39Å
1060R91.7Very high90.3Very high57 Ų5750.3 Ų50.322%0.21528%0.276CS..  trans-61.6150.2160.4-61.1-60-160.9-160.68.4110F1023 Y1025 F1062 N1089F1023-R1060 HydrophobicContact CD1-CB 4.27Å; F1023-R1060 HydrophobicContact CD1-CG 4.47Å; F1023-R1060 PolarHBondContact O-N 3.05Å; Y1025-R1060 HydrophobicContact CD1-CG 4.31Å; Y1025-R1060 VanDerWaalsContact CD2-NH1 3.26Å; Y1025-R1060 VanDerWaalsContact CG-NH1 3.34Å; R1060-F1062 VanDerWaalsContact C-N 3.3Å; R1060-F1062 PolarHBondContact O-N 2.75Å; R1060-N1089 PolarHBondContact NE-OD1 3.1Å; R1060-N1089 PolarHBondContact NH2-OD1 3.34Å
1061D88.4Confident90.9Very high112 Ų11251 Ų5160%0.59928%0.275SS*.SBendtrans-64-35.8-175.4-49.1-86.4000112.8L1390D1061-L1390 HydrophobicContact CB-CD1 3.69Å; D1061-L1390 HydrophobicContact CB-CD2 4.28Å
1062F92.6Very high91.5Very high24 Ų2449.8 Ų49.811%0.10527%0.267CS..SBendtrans-104.5114.9170.9-73.3-69.6000110.1F1023 R1060 L1072 T1073 T1076 I1086 Q1386 M1389 L1390F1023-F1062 VanDerWaalsContact CD1-O 3.24Å; F1023-F1062 WeakPolarHBondContact CD1-O 3.42Å; R1060-F1062 VanDerWaalsContact C-N 3.3Å; R1060-F1062 PolarHBondContact O-N 2.75Å; F1062-L1072 HydrophobicContact CE1-CG 4.43Å; F1062-T1073 HydrophobicContact CB-CG2 3.92Å; F1062-T1073 HydrophobicContact CD1-CG2 4.46Å; F1062-T1076 HydrophobicContact CE1-CG2 3.87Å; F1062-T1076 HydrophobicContact CZ-CG2 4.03Å; F1062-I1086 HydrophobicContact CB-CD1 4.14Å; F1062-I1086 HydrophobicContact CB-CG1 4.06Å; F1062-I1086 HydrophobicContact CD2-CD1 4.47Å; F1062-I1086 HydrophobicContact CG-CD1 4.22Å; F1062-Q1386 HydrophobicContact CE2-CB 4.01Å; F1062-Q1386 HydrophobicContact CE2-CG 4.21Å; F1062-Q1386 HydrophobicContact CZ-CB 3.79Å; F1062-Q1386 HydrophobicContact CZ-CG 4.49Å; F1062-M1389 HydrophobicContact CE1-CE 4.06Å; F1062-M1389 HydrophobicContact CZ-CE 3.81Å; F1062-L1390 HydrophobicContact CD2-CD1 4.47Å; F1062-L1390 HydrophobicContact CE2-CD1 3.7Å; F1062-L1390 HydrophobicContact CZ-CD1 4.08Å; F1062-L1390 HydrophobicContact CZ-CG 4.48Å
1063H92.5Very high91.7Very high39 Ų3945.7 Ų45.718%0.18124%0.241CC..  trans-148.6159.8-167.869.8119.3000113.1F1023 D1065 T1069 T1073F1023-H1063 HydrophobicContact CB-CB 3.98Å; F1023-H1063 HydrophobicContact CD1-CB 4.18Å; F1023-H1063 HydrophobicContact CG-CB 4.41Å; H1063-D1065 IonicContact CE1-OD2 2.72Å; H1063-D1065 IonicContact CG-OD2 2.69Å; H1063-D1065 IonicContact ND1-OD2 3.04Å; H1063-D1065 PolarHBondContact ND1-OD2 3.37Å; H1063-T1069 WeakPolarHBondContact O-CB 3.36Å; H1063-T1069 PolarHBondContact O-OG1 2.88Å; H1063-T1069 VanDerWaalsContact O-OG1 3.05Å; H1063-T1073 PolarHBondContact N-OG1 3.43Å
1064Y93.8Very high92.1Very high0 Ų042.8 Ų42.80%023%0.229CC..  trans-111.928.1-167.2-68.7-71.4000114A1015 V1016 F1019 F1023 N1066 A1070 T1073 L1074 I1086 Y1112A1015-Y1064 HydrophobicContact CB-CD1 3.43Å; A1015-Y1064 VanDerWaalsContact CB-CD1 3.43Å; A1015-Y1064 HydrophobicContact CB-CE1 3.55Å; A1015-Y1064 HydrophobicContact CB-CG 4.17Å; V1016-Y1064 WeakPolarHBondContact CA-O 3.45Å; V1016-Y1064 WeakPolarHBondContact CG2-O 3.35Å; F1019-Y1064 HydrophobicContact CB-CD2 3.76Å; F1019-Y1064 HydrophobicContact CB-CG 4Å; F1019-Y1064 AromaticContact CD2-CD2 3.75Å; F1019-Y1064 HydrophobicContact CD2-CD2 3.75Å; F1019-Y1064 HydrophobicContact CD2-CE2 4.02Å; F1019-Y1064 HydrophobicContact CD2-CG 4.15Å; F1019-Y1064 HydrophobicContact CG-CD2 4.01Å; F1023-Y1064 HydrophobicContact CD1-CD2 4.44Å; F1023-Y1064 AromaticContact CE1-CD2 3.85Å; F1023-Y1064 HydrophobicContact CE1-CD2 3.85Å; F1023-Y1064 AromaticContact CE1-CE2 3.99Å; F1023-Y1064 HydrophobicContact CE1-CE2 3.99Å; F1023-Y1064 AromaticContact CE2-CD2 3.97Å; F1023-Y1064 HydrophobicContact CE2-CD2 3.97Å; F1023-Y1064 HydrophobicContact CE2-CE2 4.49Å; F1023-Y1064 AromaticContact CZ-CD2 3.59Å; F1023-Y1064 HydrophobicContact CZ-CD2 3.59Å; F1023-Y1064 AromaticContact CZ-CE2 3.74Å; F1023-Y1064 HydrophobicContact CZ-CE2 3.74Å; Y1064-N1066 VanDerWaalsContact C-N 3.33Å; Y1064-N1066 PolarHBondContact O-N 2.86Å; Y1064-A1070 HydrophobicContact CD1-CB 3.64Å; Y1064-A1070 HydrophobicContact CE1-CB 4.29Å; Y1064-T1073 HydrophobicContact CE1-CG2 3.89Å; Y1064-T1073 HydrophobicContact CE2-CG2 4.02Å; Y1064-T1073 VanDerWaalsContact CZ-CG2 3.48Å; Y1064-T1073 WeakPolarHBondContact OH-CG2 3.28Å; Y1064-L1074 HydrophobicContact CE1-CD2 4.24Å; Y1064-L1074 HydrophobicContact CE1-CG 4.17Å; Y1064-I1086 HydrophobicContact CE2-CG2 4.42Å; Y1064-Y1112 WeakPolarHBondContact CE2-OH 3.45Å; Y1064-Y1112 PolarHBondContact OH-OH 3.41Å
1065D92.5Very high92.1Very high14 Ų1442.2 Ų42.28%0.07522%0.218CC..SBendtrans-75.1-16.6-172.4-69.6-34.2000115.2F514 Y515 G1021 H1063F514-D1065 WeakPolarHBondContact CA-O 3.41Å; Y515-D1065 PolarHBondContact N-O 3.43Å; G1021-D1065 WeakPolarHBondContact CA-OD1 3.48Å; G1021-D1065 PolarHBondContact N-OD1 2.78Å; H1063-D1065 IonicContact CE1-OD2 2.72Å; H1063-D1065 IonicContact CG-OD2 2.69Å; H1063-D1065 IonicContact ND1-OD2 3.04Å; H1063-D1065 PolarHBondContact ND1-OD2 3.37Å
1066N91.6Very high92Very high56 Ų5639.5 Ų39.530%0.29921%0.208SC..SBendtrans-150.3165.5169.867.373.6000111F514 V1016 Y1064 I1068 T1069 A1070F514-N1066 HydrophobicContact CB-CB 4.19Å; V1016-N1066 VanDerWaalsContact CG2-C 3.48Å; Y1064-N1066 VanDerWaalsContact C-N 3.33Å; Y1064-N1066 PolarHBondContact O-N 2.86Å; N1066-I1068 PolarHBondContact O-N 3.1Å; N1066-I1068 WeakPolarHBondContact OD1-CA 3.28Å; N1066-I1068 WeakPolarHBondContact OD1-CB 3.44Å; N1066-I1068 PolarHBondContact OD1-N 3.08Å; N1066-T1069 PolarHBondContact N-OG1 3.2Å; N1066-T1069 PolarHBondContact O-N 2.89Å; N1066-T1069 PolarHBondContact O-OG1 2.84Å; N1066-T1069 PolarHBondContact OD1-N 3.26Å; N1066-A1070 VanDerWaalsContact O-CB 3.23Å; N1066-A1070 WeakPolarHBondContact O-CB 3.19Å; N1066-A1070 PolarHBondContact O-N 3.21Å
1067V90.9Very high92.1Very high18 Ų1835.9 Ų35.911%0.10919%0.186CC..Hα-helixtrans-62.4-26.5-174.3-175.40000113.2F1009 I1013 V1016 M1071F1009-V1067 HydrophobicContact CD2-CG1 3.92Å; F1009-V1067 HydrophobicContact CE2-CG1 3.92Å; I1013-V1067 HydrophobicContact CG1-CG1 4.04Å; I1013-V1067 HydrophobicContact CG1-CG2 3.94Å; V1016-V1067 HydrophobicContact CG2-CG2 4.15Å; V1067-M1071 WeakPolarHBondContact O-CB 3.47Å; V1067-M1071 PolarHBondContact O-N 3.09Å
1068I90.9Very high92.1Very high139 Ų13934.8 Ų34.871%0.71318%0.183SC*.Hα-helixtrans-80.4-44.8-178.6-57.8177.5000111N1066 A1070 M1071 L1072N1066-I1068 PolarHBondContact O-N 3.1Å; N1066-I1068 WeakPolarHBondContact OD1-CA 3.28Å; N1066-I1068 WeakPolarHBondContact OD1-CB 3.44Å; N1066-I1068 PolarHBondContact OD1-N 3.08Å; I1068-A1070 VanDerWaalsContact C-N 3.32Å; I1068-M1071 PolarHBondContact O-N 3.36Å; I1068-L1072 PolarHBondContact O-N 3.26Å
1069T91.7Very high92Very high31 Ų3135.9 Ų35.919%0.1919%0.189CC..Hα-helixtrans-65-40.717362.60000110.2H1063 N1066 M1071 L1072 T1073H1063-T1069 WeakPolarHBondContact O-CB 3.36Å; H1063-T1069 PolarHBondContact O-OG1 2.88Å; H1063-T1069 VanDerWaalsContact O-OG1 3.05Å; N1066-T1069 PolarHBondContact N-OG1 3.2Å; N1066-T1069 PolarHBondContact O-N 2.89Å; N1066-T1069 PolarHBondContact O-OG1 2.84Å; N1066-T1069 PolarHBondContact OD1-N 3.26Å; T1069-M1071 VanDerWaalsContact C-N 3.28Å; T1069-M1071 PolarHBondContact O-N 2.87Å; T1069-L1072 WeakPolarHBondContact O-CB 3.35Å; T1069-L1072 PolarHBondContact O-N 2.99Å; T1069-L1072 VanDerWaalsContact O-N 3.13Å; T1069-T1073 PolarHBondContact O-N 3.26Å; T1069-T1073 PolarHBondContact O-OG1 3.13Å
1070A93.6Very high91.9Very high0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-58.1-36.5171.500000113.2V1016 Y1064 N1066 I1068 L1074V1016-A1070 HydrophobicContact CG2-CB 3.79Å; Y1064-A1070 HydrophobicContact CD1-CB 3.64Å; Y1064-A1070 HydrophobicContact CE1-CB 4.29Å; N1066-A1070 VanDerWaalsContact O-CB 3.23Å; N1066-A1070 WeakPolarHBondContact O-CB 3.19Å; N1066-A1070 PolarHBondContact O-N 3.21Å; I1068-A1070 VanDerWaalsContact C-N 3.32Å; A1070-L1074 WeakPolarHBondContact O-CB 3.41Å; A1070-L1074 VanDerWaalsContact O-CG 3.24Å; A1070-L1074 WeakPolarHBondContact O-CG 3.32Å; A1070-L1074 PolarHBondContact O-N 3.38Å
1071M92.4Very high91.8Very high70 Ų7033.9 Ų33.935%0.34518%0.181SC..Hα-helixtrans-71.1-35.8175.9-173.7175.5176.800112.5I1005 Q1008 S1012 V1067 I1068 T1069 F1075I1005-M1071 HydrophobicContact CG2-CE 4.26Å; Q1008-M1071 HydrophobicContact CG-CE 4.34Å; Q1008-M1071 HydrophobicContact CG-CG 4.02Å; S1012-M1071 VanDerWaalsContact OG-CA 3.28Å; S1012-M1071 WeakPolarHBondContact OG-CA 3.47Å; S1012-M1071 PolarHBondContact OG-N 2.94Å; V1067-M1071 WeakPolarHBondContact O-CB 3.47Å; V1067-M1071 PolarHBondContact O-N 3.09Å; I1068-M1071 PolarHBondContact O-N 3.36Å; T1069-M1071 VanDerWaalsContact C-N 3.28Å; T1069-M1071 PolarHBondContact O-N 2.87Å; M1071-F1075 WeakPolarHBondContact O-CB 3.19Å; M1071-F1075 PolarHBondContact O-N 2.92Å
1072L92.6Very high91.7Very high37 Ų3729.6 Ų29.619%0.19416%0.164CC..Hα-helixtrans-67.5-48.1173.1178.965.2000111.5F1062 I1068 T1069 L1074 F1075 T1076 M1389 Y1412 V1416F1062-L1072 HydrophobicContact CE1-CG 4.43Å; I1068-L1072 PolarHBondContact O-N 3.26Å; T1069-L1072 WeakPolarHBondContact O-CB 3.35Å; T1069-L1072 PolarHBondContact O-N 2.99Å; T1069-L1072 VanDerWaalsContact O-N 3.13Å; L1072-L1074 VanDerWaalsContact C-N 3.33Å; L1072-L1074 PolarHBondContact O-N 3.34Å; L1072-F1075 WeakPolarHBondContact O-CA 3.14Å; L1072-F1075 WeakPolarHBondContact O-CB 3.22Å; L1072-F1075 PolarHBondContact O-N 3.44Å; L1072-T1076 PolarHBondContact O-N 3.09Å; L1072-T1076 VanDerWaalsContact O-N 3.08Å; L1072-M1389 HydrophobicContact CD1-CE 4.47Å; L1072-M1389 HydrophobicContact CD2-CE 4.4Å; L1072-Y1412 HydrophobicContact CD2-CD1 3.56Å; L1072-Y1412 HydrophobicContact CD2-CE1 3.79Å; L1072-Y1412 HydrophobicContact CD2-CG 4.5Å; L1072-V1416 HydrophobicContact CD1-CG2 3.73Å
1073T94.1Very high91.8Very high2 Ų228.6 Ų28.61%0.01216%0.159CC..Hα-helixtrans-63.5-36.6177.6-57.50000112.1F1062 H1063 Y1064 T1069 F1075 T1076 V1077 I1086F1062-T1073 HydrophobicContact CB-CG2 3.92Å; F1062-T1073 HydrophobicContact CD1-CG2 4.46Å; H1063-T1073 PolarHBondContact N-OG1 3.43Å; Y1064-T1073 HydrophobicContact CE1-CG2 3.89Å; Y1064-T1073 HydrophobicContact CE2-CG2 4.02Å; Y1064-T1073 VanDerWaalsContact CZ-CG2 3.48Å; Y1064-T1073 WeakPolarHBondContact OH-CG2 3.28Å; T1069-T1073 PolarHBondContact O-N 3.26Å; T1069-T1073 PolarHBondContact O-OG1 3.13Å; T1073-F1075 VanDerWaalsContact C-N 3.27Å; T1073-F1075 PolarHBondContact O-N 2.93Å; T1073-T1076 PolarHBondContact O-OG1 3.07Å; T1073-V1077 WeakPolarHBondContact O-CG2 3.26Å; T1073-V1077 PolarHBondContact O-N 3.33Å; T1073-I1086 HydrophobicContact CG2-CD1 4.01Å; T1073-I1086 HydrophobicContact CG2-CG1 4.46Å; T1073-I1086 HydrophobicContact CG2-CG2 3.9Å
1074L94.2Very high91.7Very high0 Ų027.1 Ų27.10%015%0.153CC..Hα-helixtrans-74.2-17171.4-67.8179.7000113.1Q1008 F1011 A1015 Y1064 A1070 L1072 T1078 F1111 F1115Q1008-L1074 VanDerWaalsContact NE2-CB 3.32Å; Q1008-L1074 PolarHBondContact NE2-O 3.49Å; Q1008-L1074 VanDerWaalsContact NE2-O 3.09Å; F1011-L1074 HydrophobicContact CB-CD1 3.85Å; A1015-L1074 HydrophobicContact CB-CD1 4.48Å; Y1064-L1074 HydrophobicContact CE1-CD2 4.24Å; Y1064-L1074 HydrophobicContact CE1-CG 4.17Å; A1070-L1074 WeakPolarHBondContact O-CB 3.41Å; A1070-L1074 VanDerWaalsContact O-CG 3.24Å; A1070-L1074 WeakPolarHBondContact O-CG 3.32Å; A1070-L1074 PolarHBondContact O-N 3.38Å; L1072-L1074 VanDerWaalsContact C-N 3.33Å; L1072-L1074 PolarHBondContact O-N 3.34Å; L1074-T1078 PolarHBondContact O-N 3.07Å; L1074-T1078 PolarHBondContact O-OG1 2.81Å; L1074-F1111 HydrophobicContact CD1-CZ 4.4Å; L1074-F1111 HydrophobicContact CD2-CE1 3.86Å; L1074-F1111 HydrophobicContact CD2-CZ 4.03Å; L1074-F1115 HydrophobicContact CB-CE2 3.93Å; L1074-F1115 HydrophobicContact CB-CZ 3.8Å; L1074-F1115 HydrophobicContact CD1-CE2 3.98Å; L1074-F1115 HydrophobicContact CD2-CD2 4.02Å; L1074-F1115 HydrophobicContact CD2-CE2 3.83Å; L1074-F1115 HydrophobicContact CD2-CG 4.47Å; L1074-F1115 HydrophobicContact CD2-CZ 4.12Å; L1074-F1115 HydrophobicContact CG-CE2 4.12Å; L1074-F1115 HydrophobicContact CG-CZ 4.4Å; L1074-F1115 VanDerWaalsContact O-CZ 3.25Å; L1074-F1115 WeakPolarHBondContact O-CZ 3.43Å
1075F92Very high91.6Very high34 Ų3429 Ų2915%0.14917%0.172CC..Hα-helixtrans-77.8-42.2174179.4-92.9000111.5M1071 L1072 T1073 T1078 T1079 W1385 V1416M1071-F1075 WeakPolarHBondContact O-CB 3.19Å; M1071-F1075 PolarHBondContact O-N 2.92Å; L1072-F1075 WeakPolarHBondContact O-CA 3.14Å; L1072-F1075 WeakPolarHBondContact O-CB 3.22Å; L1072-F1075 PolarHBondContact O-N 3.44Å; T1073-F1075 VanDerWaalsContact C-N 3.27Å; T1073-F1075 PolarHBondContact O-N 2.93Å; F1075-T1078 CarbonylContact O-C 3.59Å; F1075-T1078 WeakPolarHBondContact O-CA 3.41Å; F1075-T1078 WeakPolarHBondContact O-CB 3.47Å; F1075-T1078 PolarHBondContact O-N 3.21Å; F1075-T1079 HydrophobicContact CD1-CG2 4.49Å; F1075-T1079 HydrophobicContact CE1-CG2 3.97Å; F1075-T1079 HydrophobicContact CZ-CG2 4.17Å; F1075-T1079 PolarHBondContact O-N 3.13Å; F1075-W1385 AromaticContact CD1-CH2 3.91Å; F1075-W1385 HydrophobicContact CD1-CH2 3.91Å; F1075-W1385 HydrophobicContact CD1-CZ2 4.28Å; F1075-W1385 AromaticContact CE1-CH2 3.83Å; F1075-W1385 HydrophobicContact CE1-CH2 3.83Å; F1075-W1385 HydrophobicContact CE1-CZ2 4.08Å; F1075-V1416 HydrophobicContact CD1-CG1 4.24Å; F1075-V1416 HydrophobicContact CD1-CG2 4.06Å; F1075-V1416 HydrophobicContact CE1-CB 4.26Å; F1075-V1416 HydrophobicContact CE1-CG1 3.9Å; F1075-V1416 HydrophobicContact CE1-CG2 4.04Å; F1075-V1416 HydrophobicContact CE2-CG1 4.39Å; F1075-V1416 HydrophobicContact CZ-CG1 3.98Å
1076T92.2Very high91.6Very high0 Ų028.6 Ų28.60%017%0.17CC..Hα-helixtrans-62-43.117251.80000111.6F1062 L1072 T1073 T1078 T1079 G1080 E1081 W1385 Q1386F1062-T1076 HydrophobicContact CE1-CG2 3.87Å; F1062-T1076 HydrophobicContact CZ-CG2 4.03Å; L1072-T1076 PolarHBondContact O-N 3.09Å; L1072-T1076 VanDerWaalsContact O-N 3.08Å; T1073-T1076 PolarHBondContact O-OG1 3.07Å; T1076-T1078 PolarHBondContact O-N 3.04Å; T1076-T1078 VanDerWaalsContact O-N 3.13Å; T1076-T1079 PolarHBondContact O-N 2.89Å; T1076-T1079 VanDerWaalsContact O-N 3.14Å; T1076-T1079 PolarHBondContact O-OG1 3.39Å; T1076-G1080 PolarHBondContact O-N 3.14Å; T1076-E1081 PolarHBondContact O-N 3.22Å; T1076-W1385 HydrophobicContact CG2-CH2 3.67Å; T1076-W1385 HydrophobicContact CG2-CZ2 3.78Å; T1076-Q1386 HydrophobicContact CG2-CB 3.94Å
1077V93.1Very high91.7Very high0 Ų026.5 Ų26.50%016%0.159CC..Hα-helixtrans-61.7-20171178.80000112.6T1073 W1083 I1086 Y1112 F1115 F1116T1073-V1077 WeakPolarHBondContact O-CG2 3.26Å; T1073-V1077 PolarHBondContact O-N 3.33Å; V1077-W1083 HydrophobicContact CB-CB 4.36Å; V1077-W1083 HydrophobicContact CG1-CB 4.31Å; V1077-W1083 HydrophobicContact CG2-CB 3.96Å; V1077-I1086 HydrophobicContact CG2-CB 4.46Å; V1077-I1086 HydrophobicContact CG2-CD1 3.82Å; V1077-I1086 HydrophobicContact CG2-CG2 4.16Å; V1077-Y1112 HydrophobicContact CG1-CD1 4.03Å; V1077-Y1112 HydrophobicContact CG1-CE1 4.33Å; V1077-Y1112 HydrophobicContact CG2-CE1 4.24Å; V1077-F1115 HydrophobicContact CB-CE1 4.2Å; V1077-F1115 HydrophobicContact CG1-CD1 3.67Å; V1077-F1115 HydrophobicContact CG1-CE1 3.79Å; V1077-F1116 HydrophobicContact CG1-CD2 4.4Å; V1077-F1116 HydrophobicContact CG1-CE2 3.75Å; V1077-F1116 HydrophobicContact CG1-CZ 4.31Å
1078T92.2Very high91.8Very high16 Ų1629.5 Ų29.510%0.09817%0.17CC..Hα-helixtrans-88.8-31.2173.4-54.10000113.6Y1004 L1074 F1075 T1076 F1115 F1119 P1120Y1004-T1078 HydrophobicContact CE2-CG2 4.33Å; Y1004-T1078 WeakPolarHBondContact OH-CG2 3.44Å; L1074-T1078 PolarHBondContact O-N 3.07Å; L1074-T1078 PolarHBondContact O-OG1 2.81Å; F1075-T1078 CarbonylContact O-C 3.59Å; F1075-T1078 WeakPolarHBondContact O-CA 3.41Å; F1075-T1078 WeakPolarHBondContact O-CB 3.47Å; F1075-T1078 PolarHBondContact O-N 3.21Å; T1076-T1078 PolarHBondContact O-N 3.04Å; T1076-T1078 VanDerWaalsContact O-N 3.13Å; T1078-F1115 VanDerWaalsContact OG1-CE1 3.26Å; T1078-F1115 WeakPolarHBondContact OG1-CE1 3.37Å; T1078-F1115 WeakPolarHBondContact OG1-CZ 3.35Å; T1078-F1119 HydrophobicContact CG2-CB 4.04Å; T1078-P1120 HydrophobicContact CG2-CG 4.44Å
1079T89.2Confident91.8Very high57 Ų5724.6 Ų24.635%0.3515%0.146SC..Hα-helixtrans-68.4-27.7169.753.60000111.1F1075 T1076 W1385F1075-T1079 HydrophobicContact CD1-CG2 4.49Å; F1075-T1079 HydrophobicContact CE1-CG2 3.97Å; F1075-T1079 HydrophobicContact CZ-CG2 4.17Å; F1075-T1079 PolarHBondContact O-N 3.13Å; T1076-T1079 PolarHBondContact O-N 2.89Å; T1076-T1079 VanDerWaalsContact O-N 3.14Å; T1076-T1079 PolarHBondContact O-OG1 3.39Å; T1079-W1385 HydrophobicContact CG2-CZ2 3.95Å
1080G87.4Confident91.8Very high17 Ų1723.1 Ų23.118%0.17514%0.136CC..THydrogen-bonded Turntrans102.37.5176.100000114E674 T1076E674-G1080 VanDerWaalsContact OE2-O 3.04Å; T1076-G1080 PolarHBondContact O-N 3.14Å
1081E88.9Confident91.7Very high46 Ų4623.3 Ų23.322%0.21514%0.138CC..SBendtrans-112.9142.9-172.5-70.2-177.2-116.200112.7E674 T1076 W1083 S1384 W1385 Q1386E674-E1081 VanDerWaalsContact OE1-CA 3.29Å; E674-E1081 WeakPolarHBondContact OE1-CA 3.42Å; T1076-E1081 PolarHBondContact O-N 3.22Å; E1081-W1083 PolarHBondContact O-N 2.92Å; E1081-W1083 VanDerWaalsContact O-N 3.16Å; E1081-S1384 WeakPolarHBondContact OE2-CA 3.2Å; E1081-S1384 PolarHBondContact OE2-N 3.41Å; E1081-W1385 VanDerWaalsContact CD-CD1 3.49Å; E1081-W1385 PolarHBondContact OE1-NE1 2.97Å; E1081-Q1386 VanDerWaalsContact CB-OE1 3.27Å; E1081-Q1386 PolarHBondContact OE2-OE1 3.24Å
1082G87.7Confident91.7Very high22 Ų2220.2 Ų20.223%0.22712%0.122CC..SBendtrans67.81-176.400000114.6E674 P1084 G1085 I1086E674-G1082 PolarHBondContact OE1-N 3.05Å; G1082-P1084 VanDerWaalsContact C-CD 3.44Å; G1082-G1085 PolarHBondContact O-N 3.46Å; G1082-I1086 PolarHBondContact O-N 3.01Å
1083W93.3Very high91.6Very high2 Ų218.7 Ų18.71%0.00812%0.115CC..Hα-helixtrans-71.2-26.6-170.885.3-84.1000115.6F668 Q669 T672 V1077 E1081 G1085 I1086 L1087 F1116F668-W1083 AromaticContact CD1-CH2 3.8Å; F668-W1083 HydrophobicContact CD1-CH2 3.8Å; F668-W1083 AromaticContact CE1-CH2 3.87Å; F668-W1083 HydrophobicContact CE1-CH2 3.87Å; F668-W1083 HydrophobicContact CE1-CZ2 4.49Å; F668-W1083 HydrophobicContact CE1-CZ3 4.37Å; Q669-W1083 HydrophobicContact CB-CH2 4.29Å; Q669-W1083 HydrophobicContact CB-CZ2 3.96Å; Q669-W1083 HydrophobicContact CG-CZ2 3.89Å; T672-W1083 HydrophobicContact CG2-CZ2 4.09Å; T672-W1083 WeakPolarHBondContact OG1-CZ2 3.3Å; T672-W1083 PolarHBondContact OG1-NE1 2.93Å; V1077-W1083 HydrophobicContact CB-CB 4.36Å; V1077-W1083 HydrophobicContact CG1-CB 4.31Å; V1077-W1083 HydrophobicContact CG2-CB 3.96Å; E1081-W1083 PolarHBondContact O-N 2.92Å; E1081-W1083 VanDerWaalsContact O-N 3.16Å; W1083-G1085 VanDerWaalsContact C-N 3.3Å; W1083-G1085 PolarHBondContact O-N 3.18Å; W1083-I1086 PolarHBondContact O-N 2.78Å; W1083-L1087 HydrophobicContact CE3-CB 4.2Å; W1083-L1087 HydrophobicContact CH2-CD2 4.41Å; W1083-L1087 HydrophobicContact CZ3-CB 4.2Å; W1083-L1087 HydrophobicContact CZ3-CD2 3.78Å; W1083-L1087 WeakPolarHBondContact O-CB 3.31Å; W1083-L1087 PolarHBondContact O-N 3.02Å; W1083-F1116 HydrophobicContact CB-CZ 4.4Å; W1083-F1116 AromaticContact CD1-CZ 3.79Å; W1083-F1116 AromaticContact CD2-CE2 3.5Å; W1083-F1116 HydrophobicContact CD2-CE2 3.5Å; W1083-F1116 VanDerWaalsContact CD2-CE2 3.5Å; W1083-F1116 AromaticContact CD2-CZ 3.5Å; W1083-F1116 HydrophobicContact CD2-CZ 3.5Å; W1083-F1116 VanDerWaalsContact CD2-CZ 3.5Å; W1083-F1116 AromaticContact CE2-CE2 3.93Å; W1083-F1116 AromaticContact CE2-CZ 3.62Å; W1083-F1116 AromaticContact CE3-CE2 3.54Å; W1083-F1116 HydrophobicContact CE3-CE2 3.54Å; W1083-F1116 HydrophobicContact CE3-CZ 4.06Å; W1083-F1116 AromaticContact CG-CE2 3.94Å; W1083-F1116 HydrophobicContact CG-CE2 3.94Å; W1083-F1116 AromaticContact CG-CZ 3.62Å; W1083-F1116 HydrophobicContact CG-CZ 3.62Å; W1083-F1116 HydrophobicContact CH2-CE2 4.43Å; W1083-F1116 HydrophobicContact CZ2-CE2 4.38Å; W1083-F1116 HydrophobicContact CZ2-CZ 4.28Å; W1083-F1116 HydrophobicContact CZ3-CE2 4.01Å; W1083-F1116 AromaticContact NE1-CZ 3.75Å
1084P92Very high91.3Very high8 Ų819.4 Ų19.45%0.05212%0.12CC..Hα-helixtrans-66.1-35.4175.7-2135.5000111.3Q669 E674 D675 G1082 L1087 K1088Q669-P1084 HydrophobicContact CG-CG 4.09Å; E674-P1084 HydrophobicContact CG-CG 3.64Å; E674-P1084 WeakPolarHBondContact OE1-CD 3.5Å; D675-P1084 HydrophobicContact CB-CG 4.38Å; G1082-P1084 VanDerWaalsContact C-CD 3.44Å; P1084-L1087 PolarHBondContact O-N 2.88Å; P1084-K1088 PolarHBondContact O-N 2.82Å
1085G90.7Very high90.8Very high39 Ų3925.8 Ų25.840%0.40215%0.149SC..Hα-helixtrans-65.9-43171.300000112.7G1082 W1083 L1087 K1088 N1089G1082-G1085 PolarHBondContact O-N 3.46Å; W1083-G1085 VanDerWaalsContact C-N 3.3Å; W1083-G1085 PolarHBondContact O-N 3.18Å; G1085-L1087 VanDerWaalsContact C-N 3.32Å; G1085-L1087 PolarHBondContact O-N 2.95Å; G1085-K1088 PolarHBondContact O-N 3.22Å; G1085-N1089 WeakPolarHBondContact O-CB 3.36Å; G1085-N1089 PolarHBondContact O-N 3.07Å; G1085-N1089 PolarHBondContact O-ND2 3.04Å; G1085-N1089 VanDerWaalsContact O-ND2 3.1Å
1086I93.4Very high90.5Very high6 Ų627.3 Ų27.33%0.03116%0.161CC..Hα-helixtrans-63.2-38.9174.4-62.7164.8000110.8F1062 Y1064 T1073 V1077 G1082 W1083 S1090 Y1112F1062-I1086 HydrophobicContact CB-CD1 4.14Å; F1062-I1086 HydrophobicContact CB-CG1 4.06Å; F1062-I1086 HydrophobicContact CD2-CD1 4.47Å; F1062-I1086 HydrophobicContact CG-CD1 4.22Å; Y1064-I1086 HydrophobicContact CE2-CG2 4.42Å; T1073-I1086 HydrophobicContact CG2-CD1 4.01Å; T1073-I1086 HydrophobicContact CG2-CG1 4.46Å; T1073-I1086 HydrophobicContact CG2-CG2 3.9Å; V1077-I1086 HydrophobicContact CG2-CB 4.46Å; V1077-I1086 HydrophobicContact CG2-CD1 3.82Å; V1077-I1086 HydrophobicContact CG2-CG2 4.16Å; G1082-I1086 PolarHBondContact O-N 3.01Å; W1083-I1086 PolarHBondContact O-N 2.78Å; I1086-S1090 WeakPolarHBondContact O-CB 3.31Å; I1086-S1090 PolarHBondContact O-N 3.03Å; I1086-S1090 PolarHBondContact O-OG 3.38Å; I1086-Y1112 HydrophobicContact CG2-CE1 4.04Å
1087L93.3Very high90.2Very high13 Ų1330.8 Ų30.87%0.06818%0.18CC..Hα-helixtrans-63.5-49.6173.1173.463.5000111.4L665 W1083 P1084 G1085 N1089 S1090 M1091 A1109 Y1112L665-L1087 HydrophobicContact CD2-CD2 4.49Å; W1083-L1087 HydrophobicContact CE3-CB 4.2Å; W1083-L1087 HydrophobicContact CH2-CD2 4.41Å; W1083-L1087 HydrophobicContact CZ3-CB 4.2Å; W1083-L1087 HydrophobicContact CZ3-CD2 3.78Å; W1083-L1087 WeakPolarHBondContact O-CB 3.31Å; W1083-L1087 PolarHBondContact O-N 3.02Å; P1084-L1087 PolarHBondContact O-N 2.88Å; G1085-L1087 VanDerWaalsContact C-N 3.32Å; G1085-L1087 PolarHBondContact O-N 2.95Å; L1087-N1089 VanDerWaalsContact C-N 3.35Å; L1087-N1089 PolarHBondContact O-N 3.05Å; L1087-S1090 CarbonylContact O-C 3.53Å; L1087-S1090 WeakPolarHBondContact O-CA 3.37Å; L1087-S1090 WeakPolarHBondContact O-CB 3.25Å; L1087-S1090 PolarHBondContact O-N 2.95Å; L1087-M1091 HydrophobicContact CD1-CG 3.95Å; L1087-M1091 HydrophobicContact CD1-SD 3.87Å; L1087-M1091 HydrophobicContact CD2-SD 4.26Å; L1087-M1091 HydrophobicContact CG-CG 4.36Å; L1087-M1091 HydrophobicContact CG-SD 3.85Å; L1087-M1091 WeakPolarHBondContact O-CG 3.26Å; L1087-M1091 PolarHBondContact O-N 3.41Å; L1087-A1109 HydrophobicContact CD1-CB 3.78Å; L1087-Y1112 HydrophobicContact CD1-CD2 3.67Å; L1087-Y1112 HydrophobicContact CD1-CE2 4.28Å; L1087-Y1112 HydrophobicContact CD1-CG 4.19Å
1088K92Very high90Very high80 Ų8034.4 Ų34.435%0.34820%0.197SC..Hα-helixtrans-56.3-50.2177.3177166.7-178.7174.30110.6P1084 G1085 S1090 M1091 D1092 E1102P1084-K1088 PolarHBondContact O-N 2.82Å; G1085-K1088 PolarHBondContact O-N 3.22Å; K1088-S1090 PolarHBondContact O-N 2.89Å; K1088-S1090 VanDerWaalsContact O-N 3.1Å; K1088-M1091 PolarHBondContact O-N 3.1Å; K1088-D1092 WeakPolarHBondContact CE-OD2 3.4Å; K1088-D1092 WeakPolarHBondContact CG-OD2 3.41Å; K1088-D1092 VanDerWaalsContact O-CG 3.3Å; K1088-D1092 PolarHBondContact O-N 2.67Å; K1088-E1102 IonicContact NZ-OE1 3.28Å; K1088-E1102 PolarHBondContact NZ-OE1 3.37Å
1089N92.2Very high89.8Confident36 Ų3633.7 Ų33.719%0.19319%0.192CC..Hα-helixtrans-56.6-29.3176.1-73.3-39.4000113.5F1023 R1060 G1085 L1087 A1093F1023-N1089 HydrophobicContact CE1-CB 3.99Å; F1023-N1089 HydrophobicContact CZ-CB 4.34Å; R1060-N1089 PolarHBondContact NE-OD1 3.1Å; R1060-N1089 PolarHBondContact NH2-OD1 3.34Å; G1085-N1089 WeakPolarHBondContact O-CB 3.36Å; G1085-N1089 PolarHBondContact O-N 3.07Å; G1085-N1089 PolarHBondContact O-ND2 3.04Å; G1085-N1089 VanDerWaalsContact O-ND2 3.1Å; L1087-N1089 VanDerWaalsContact C-N 3.35Å; L1087-N1089 PolarHBondContact O-N 3.05Å; N1089-A1093 WeakPolarHBondContact O-CB 3.35Å; N1089-A1093 PolarHBondContact O-N 3.12Å
1090S92.3Very high89.9Confident0 Ų032.5 Ų32.50%019%0.186CC..Hα-helixtrans-82-27.9176.1-54.30000114.2F1023 I1086 L1087 K1088 Y1112F1023-S1090 WeakPolarHBondContact CZ-OG 3.21Å; I1086-S1090 WeakPolarHBondContact O-CB 3.31Å; I1086-S1090 PolarHBondContact O-N 3.03Å; I1086-S1090 PolarHBondContact O-OG 3.38Å; L1087-S1090 CarbonylContact O-C 3.53Å; L1087-S1090 WeakPolarHBondContact O-CA 3.37Å; L1087-S1090 WeakPolarHBondContact O-CB 3.25Å; L1087-S1090 PolarHBondContact O-N 2.95Å; K1088-S1090 PolarHBondContact O-N 2.89Å; K1088-S1090 VanDerWaalsContact O-N 3.1Å; S1090-Y1112 VanDerWaalsContact OG-CE2 3.31Å; S1090-Y1112 WeakPolarHBondContact OG-CE2 3.5Å; S1090-Y1112 PolarHBondContact OG-OH 2.92Å
1091M91.1Very high90Very high5 Ų534.6 Ų34.63%0.02520%0.195CC..Hα-helixtrans-80.1-32.7175.6-69.517666.500111.6L665 L1087 K1088 A1093 D1103 H1104 S1105 Q1106 A1109L665-M1091 HydrophobicContact CD1-CE 3.97Å; L665-M1091 HydrophobicContact CD1-SD 4.04Å; L1087-M1091 HydrophobicContact CD1-CG 3.95Å; L1087-M1091 HydrophobicContact CD1-SD 3.87Å; L1087-M1091 HydrophobicContact CD2-SD 4.26Å; L1087-M1091 HydrophobicContact CG-CG 4.36Å; L1087-M1091 HydrophobicContact CG-SD 3.85Å; L1087-M1091 WeakPolarHBondContact O-CG 3.26Å; L1087-M1091 PolarHBondContact O-N 3.41Å; K1088-M1091 PolarHBondContact O-N 3.1Å; M1091-A1093 VanDerWaalsContact C-N 3.32Å; M1091-D1103 WeakPolarHBondContact CE-OD1 3.44Å; M1091-H1104 PolarHBondContact O-N 3.45Å; M1091-S1105 WeakPolarHBondContact O-CA 3.37Å; M1091-S1105 WeakPolarHBondContact O-CB 3.05Å; M1091-S1105 PolarHBondContact O-N 3.45Å; M1091-Q1106 HydrophobicContact CE-CB 3.98Å; M1091-Q1106 HydrophobicContact CE-CG 3.77Å; M1091-A1109 HydrophobicContact SD-CB 4.37Å
1092D91.9Very high90Very high5 Ų539.2 Ų39.23%0.02722%0.217CC..SBendtrans-85-7.5178.3-56.7-20000112.7K1088 P1100 V1101 E1102 D1103K1088-D1092 WeakPolarHBondContact CE-OD2 3.4Å; K1088-D1092 WeakPolarHBondContact CG-OD2 3.41Å; K1088-D1092 VanDerWaalsContact O-CG 3.3Å; K1088-D1092 PolarHBondContact O-N 2.67Å; D1092-P1100 HydrophobicContact CB-CB 3.86Å; D1092-P1100 CarbonylContact O-C 3.41Å; D1092-P1100 VanDerWaalsContact O-CA 3.26Å; D1092-P1100 WeakPolarHBondContact O-CA 3.06Å; D1092-V1101 WeakPolarHBondContact CA-O 3.36Å; D1092-V1101 PolarHBondContact O-N 3.4Å; D1092-E1102 WeakPolarHBondContact OD1-CA 3.4Å; D1092-D1103 PolarHBondContact OD1-N 3.41Å
1093A89.6Confident89.9Confident4 Ų440.9 Ų40.93%0.03322%0.22CC..  trans-66.6129.6-178.900000112.5K1022 F1023 N1089 M1091 S1105K1022-A1093 HydrophobicContact CB-CB 4.17Å; F1023-A1093 HydrophobicContact CE2-CB 4.41Å; N1089-A1093 WeakPolarHBondContact O-CB 3.35Å; N1089-A1093 PolarHBondContact O-N 3.12Å; M1091-A1093 VanDerWaalsContact C-N 3.32Å; A1093-S1105 WeakPolarHBondContact O-CB 3.37Å; A1093-S1105 PolarHBondContact O-OG 2.76Å
1094T87.8Confident89.6Confident18 Ų1846.1 Ų46.111%0.1124%0.244CC..  trans-107.2-107.6-175.758.60000111.7K1022 H1098 G1099 V1101 H1104K1022-T1094 WeakPolarHBondContact CD-O 3.34Å; K1022-T1094 WeakPolarHBondContact CE-O 2.99Å; T1094-H1098 WeakPolarHBondContact OG1-CB 3.04Å; T1094-G1099 PolarHBondContact OG1-O 3.28Å; T1094-V1101 HydrophobicContact CG2-CB 3.7Å; T1094-V1101 HydrophobicContact CG2-CG2 3.8Å; T1094-H1104 HydrophobicContact CG2-CB 4.19Å
1095E84Confident89.3Confident133 Ų13346.1 Ų46.162%0.62125%0.245SC*.SBendtrans-111.4169.9-178.7-66.5-169.3-161.800111.7N1097 H1098E1095-N1097 PolarHBondContact O-N 3.01Å; E1095-H1098 HydrophobicContact CB-CB 4.18Å; E1095-H1098 PolarHBondContact O-N 3.25Å
1096V85.5Confident89.1Confident66 Ų6646.9 Ų46.940%0.424%0.238SC..THydrogen-bonded Turntrans-70.3129.4-179.2-177.40000109.6Y515 K1022 H1098Y515-V1096 HydrophobicContact CD2-CG1 4.2Å; Y515-V1096 HydrophobicContact CE2-CG1 4Å; K1022-V1096 HydrophobicContact CG-CG2 4.34Å; V1096-H1098 PolarHBondContact O-N 3.13Å
1097N86.6Confident88.6Confident74 Ų7450.1 Ų50.140%0.39625%0.253SS..THydrogen-bonded Turntrans68.16.5-171-41.6-66.2000115.9Y515 G1021 W1057 E1095Y515-N1097 WeakPolarHBondContact CE2-OD1 3.47Å; Y515-N1097 PolarHBondContact OH-OD1 2.97Å; G1021-N1097 PolarHBondContact O-N 3.37Å; W1057-N1097 WeakPolarHBondContact CH2-O 3.16Å; W1057-N1097 VanDerWaalsContact CZ2-O 3.29Å; W1057-N1097 WeakPolarHBondContact CZ2-O 3.44Å; E1095-N1097 PolarHBondContact O-N 3.01Å
1098H88.6Confident88.3Confident76 Ų7650.9 Ų50.935%0.35226%0.256SS..BIsolated β-bridgetrans-97.7150.2171.9-81.1-101.3000111.4L1032 T1094 E1095 V1096L1032-H1098 CarbonylContact O-C 3.43Å; L1032-H1098 WeakPolarHBondContact O-CA 3.39Å; T1094-H1098 WeakPolarHBondContact OG1-CB 3.04Å; E1095-H1098 HydrophobicContact CB-CB 4.18Å; E1095-H1098 PolarHBondContact O-N 3.25Å; V1096-H1098 PolarHBondContact O-N 3.13Å
1099G88.2Confident88.2Confident1 Ų147.3 Ų47.31%0.0124%0.242CC..PPolyproline II helixtrans-75.5167.6177.100000113L1032 T1094L1032-G1099 PolarHBondContact O-N 3.25Å; T1094-G1099 PolarHBondContact OG1-O 3.28Å
1100P91.7Very high88Confident32 Ų3250.4 Ų50.421%0.20826%0.257CS..PPolyproline II helixtrans-66.8144.5179.528.5-35000111.7F1024 D1092F1024-P1100 WeakPolarHBondContact O-CD 3.45Å; D1092-P1100 HydrophobicContact CB-CB 3.86Å; D1092-P1100 CarbonylContact O-C 3.41Å; D1092-P1100 VanDerWaalsContact O-CA 3.26Å; D1092-P1100 WeakPolarHBondContact O-CA 3.06Å
1101V90Very high87.9Confident61 Ų6151.4 Ų51.437%0.3726%0.261SS..  trans-130.1122.5169.3174.20000107.1L1032 D1092 T1094 D1103 H1104L1032-V1101 HydrophobicContact CD1-CG2 4.08Å; L1032-V1101 HydrophobicContact CD2-CG2 4Å; D1092-V1101 WeakPolarHBondContact CA-O 3.36Å; D1092-V1101 PolarHBondContact O-N 3.4Å; T1094-V1101 HydrophobicContact CG2-CB 3.7Å; T1094-V1101 HydrophobicContact CG2-CG2 3.8Å; V1101-D1103 PolarHBondContact O-N 3.35Å; V1101-H1104 HydrophobicContact CB-CB 4.29Å; V1101-H1104 HydrophobicContact CG1-CB 4.47Å; V1101-H1104 VanDerWaalsContact O-CB 3.3Å; V1101-H1104 WeakPolarHBondContact O-CB 3.34Å; V1101-H1104 PolarHBondContact O-N 3.45Å
1102E87.4Confident87.9Confident143 Ų14351.2 Ų51.267%0.66826%0.261SS*.THydrogen-bonded Turntrans-55.7131.5-168.7-62.4-155118.900113K1088 D1092 H1104K1088-E1102 IonicContact NZ-OE1 3.28Å; K1088-E1102 PolarHBondContact NZ-OE1 3.37Å; D1092-E1102 WeakPolarHBondContact OD1-CA 3.4Å; E1102-H1104 PolarHBondContact O-N 2.92Å
1103D85.4Confident87.8Confident56 Ų5653 Ų5330%0.29927%0.27SS..THydrogen-bonded Turntrans58.114.4177.6-91.2-2.4000116.1K662 M1091 D1092 V1101 S1105 Q1106K662-D1103 WeakPolarHBondContact CE-OD1 3.39Å; K662-D1103 WeakPolarHBondContact CE-OD2 3.48Å; K662-D1103 IonicContact NZ-OD1 3.08Å; K662-D1103 PolarHBondContact NZ-OD1 3.33Å; K662-D1103 IonicContact NZ-OD2 3.17Å; K662-D1103 PolarHBondContact NZ-OD2 3.01Å; M1091-D1103 WeakPolarHBondContact CE-OD1 3.44Å; D1092-D1103 PolarHBondContact OD1-N 3.41Å; V1101-D1103 PolarHBondContact O-N 3.35Å; D1103-S1105 PolarHBondContact O-N 3.38Å; D1103-Q1106 HydrophobicContact CB-CG 4.1Å; D1103-Q1106 VanDerWaalsContact CG-NE2 3.26Å; D1103-Q1106 WeakPolarHBondContact O-CG 3.2Å; D1103-Q1106 PolarHBondContact OD2-NE2 2.93Å
1104H88Confident87.7Confident112 Ų11256.9 Ų56.952%0.51929%0.289SS..THydrogen-bonded Turntrans-55.3-36.6179.7-179.1-83.3000113.7M1091 T1094 V1101 E1102M1091-H1104 PolarHBondContact O-N 3.45Å; T1094-H1104 HydrophobicContact CG2-CB 4.19Å; V1101-H1104 HydrophobicContact CB-CB 4.29Å; V1101-H1104 HydrophobicContact CG1-CB 4.47Å; V1101-H1104 VanDerWaalsContact O-CB 3.3Å; V1101-H1104 WeakPolarHBondContact O-CB 3.34Å; V1101-H1104 PolarHBondContact O-N 3.45Å; E1102-H1104 PolarHBondContact O-N 2.92Å
1105S85.8Confident87.8Confident8 Ų856 Ų566%0.05628%0.284CS..THydrogen-bonded Turntrans-125.238.9-166.5-62.70000113.2M1091 A1093 D1103 Q1107 M1108M1091-S1105 WeakPolarHBondContact O-CA 3.37Å; M1091-S1105 WeakPolarHBondContact O-CB 3.05Å; M1091-S1105 PolarHBondContact O-N 3.45Å; A1093-S1105 WeakPolarHBondContact O-CB 3.37Å; A1093-S1105 PolarHBondContact O-OG 2.76Å; D1103-S1105 PolarHBondContact O-N 3.38Å; S1105-Q1107 PolarHBondContact O-N 3.03Å; S1105-M1108 WeakPolarHBondContact O-CB 3.44Å; S1105-M1108 VanDerWaalsContact O-CG 3.31Å; S1105-M1108 WeakPolarHBondContact O-CG 3.17Å; S1105-M1108 PolarHBondContact O-N 2.91Å
1106Q86.1Confident88.1Confident56 Ų5649.8 Ų49.826%0.26226%0.255SS..G310 helixtrans-47.6-33.6-175.6-63.2-168.4-15.500114.9M1091 D1103 M1108 A1109M1091-Q1106 HydrophobicContact CE-CB 3.98Å; M1091-Q1106 HydrophobicContact CE-CG 3.77Å; D1103-Q1106 HydrophobicContact CB-CG 4.1Å; D1103-Q1106 VanDerWaalsContact CG-NE2 3.26Å; D1103-Q1106 WeakPolarHBondContact O-CG 3.2Å; D1103-Q1106 PolarHBondContact OD2-NE2 2.93Å; Q1106-M1108 PolarHBondContact O-N 2.71Å; Q1106-A1109 WeakPolarHBondContact O-CB 3.27Å; Q1106-A1109 PolarHBondContact O-N 3.16Å; Q1106-A1109 VanDerWaalsContact O-N 3.09Å
1107Q84.2Confident88Confident73 Ų7348.3 Ų48.334%0.34124%0.244SC..G310 helixtrans-53.2-24.9175.157.9-84.17.500114.6F583 S1105 A1109 I1110F583-Q1107 HydrophobicContact CE1-CG 4.12Å; F583-Q1107 HydrophobicContact CE2-CG 4.42Å; F583-Q1107 HydrophobicContact CZ-CB 4.31Å; F583-Q1107 HydrophobicContact CZ-CG 3.65Å; S1105-Q1107 PolarHBondContact O-N 3.03Å; Q1107-A1109 PolarHBondContact O-N 2.93Å; Q1107-I1110 WeakPolarHBondContact O-CB 3.14Å; Q1107-I1110 WeakPolarHBondContact O-CG1 3.41Å; Q1107-I1110 PolarHBondContact O-N 3.4Å
1108M86.3Confident87.8Confident30 Ų3046.3 Ų46.315%0.14824%0.235CC..G310 helixtrans-66-20179.2-62.2-57.2174.900112.8L1018 F1019 S1105 Q1106 I1110 F1111L1018-M1108 HydrophobicContact CD2-CE 4.47Å; L1018-M1108 HydrophobicContact CD2-SD 4.19Å; F1019-M1108 HydrophobicContact CE1-CB 4.08Å; F1019-M1108 HydrophobicContact CE1-CG 3.94Å; F1019-M1108 HydrophobicContact CE1-SD 4.14Å; F1019-M1108 HydrophobicContact CZ-CB 4.07Å; F1019-M1108 HydrophobicContact CZ-CG 4.3Å; F1019-M1108 HydrophobicContact CZ-SD 4.3Å; S1105-M1108 WeakPolarHBondContact O-CB 3.44Å; S1105-M1108 VanDerWaalsContact O-CG 3.31Å; S1105-M1108 WeakPolarHBondContact O-CG 3.17Å; S1105-M1108 PolarHBondContact O-N 2.91Å; Q1106-M1108 PolarHBondContact O-N 2.71Å; M1108-I1110 PolarHBondContact O-N 3.33Å; M1108-I1110 VanDerWaalsContact O-N 3.14Å; M1108-F1111 WeakPolarHBondContact O-CB 3.15Å; M1108-F1111 PolarHBondContact O-N 2.92Å; M1108-F1111 VanDerWaalsContact O-N 3.08Å
1109A88.9Confident87.8Confident5 Ų542.7 Ų42.74%0.04122%0.218CC..Hα-helixtrans-59-24.917300000113.4L665 L1087 M1091 Q1106 Q1107 F1111 Y1112 I1113L665-A1109 HydrophobicContact CD1-CB 3.85Å; L665-A1109 HydrophobicContact CD2-CB 3.76Å; L665-A1109 HydrophobicContact CG-CB 4.47Å; L1087-A1109 HydrophobicContact CD1-CB 3.78Å; M1091-A1109 HydrophobicContact SD-CB 4.37Å; Q1106-A1109 WeakPolarHBondContact O-CB 3.27Å; Q1106-A1109 PolarHBondContact O-N 3.16Å; Q1106-A1109 VanDerWaalsContact O-N 3.09Å; Q1107-A1109 PolarHBondContact O-N 2.93Å; A1109-F1111 PolarHBondContact O-N 3.32Å; A1109-Y1112 PolarHBondContact O-N 3.43Å; A1109-I1113 WeakPolarHBondContact O-CG1 3.44Å; A1109-I1113 PolarHBondContact O-N 2.88Å
1110I88.5Confident87.7Confident101 Ų10143.7 Ų43.752%0.51822%0.224SC..Hα-helixtrans-61.9-33.8176.5-61.9172.6000111.3Q1107 M1108 I1113 I1114Q1107-I1110 WeakPolarHBondContact O-CB 3.14Å; Q1107-I1110 WeakPolarHBondContact O-CG1 3.41Å; Q1107-I1110 PolarHBondContact O-N 3.4Å; M1108-I1110 PolarHBondContact O-N 3.33Å; M1108-I1110 VanDerWaalsContact O-N 3.14Å; I1110-I1113 PolarHBondContact O-N 3.2Å; I1110-I1114 HydrophobicContact CG2-CD1 3.82Å; I1110-I1114 HydrophobicContact CG2-CG1 4.41Å; I1110-I1114 VanDerWaalsContact O-CG1 3.31Å; I1110-I1114 WeakPolarHBondContact O-CG1 3.31Å; I1110-I1114 PolarHBondContact O-N 3.18Å
1111F90.1Very high87.3Confident20 Ų2043.2 Ų43.29%0.08822%0.219CC..Hα-helixtrans-60.8-46.9175.5172.8-98.4000111F1011 V1014 A1015 L1018 F1019 L1074 M1108 A1109 I1114 F1115F1011-F1111 AromaticContact CD1-CE2 3.76Å; F1011-F1111 HydrophobicContact CD1-CE2 3.76Å; F1011-F1111 HydrophobicContact CD1-CZ 4.13Å; F1011-F1111 HydrophobicContact CE1-CE2 4.45Å; V1014-F1111 HydrophobicContact CB-CE2 4.16Å; V1014-F1111 HydrophobicContact CG1-CD2 3.98Å; V1014-F1111 HydrophobicContact CG1-CE2 3.67Å; A1015-F1111 HydrophobicContact CB-CE1 4.32Å; A1015-F1111 HydrophobicContact CB-CZ 3.84Å; L1018-F1111 HydrophobicContact CD1-CD2 4.02Å; L1018-F1111 HydrophobicContact CD1-CG 4.33Å; F1019-F1111 HydrophobicContact CE2-CD1 4.24Å; F1019-F1111 HydrophobicContact CE2-CE1 4.47Å; L1074-F1111 HydrophobicContact CD1-CZ 4.4Å; L1074-F1111 HydrophobicContact CD2-CE1 3.86Å; L1074-F1111 HydrophobicContact CD2-CZ 4.03Å; M1108-F1111 WeakPolarHBondContact O-CB 3.15Å; M1108-F1111 PolarHBondContact O-N 2.92Å; M1108-F1111 VanDerWaalsContact O-N 3.08Å; A1109-F1111 PolarHBondContact O-N 3.32Å; F1111-I1114 PolarHBondContact O-N 2.91Å; F1111-F1115 WeakPolarHBondContact O-CB 3.49Å; F1111-F1115 PolarHBondContact O-N 3.4Å
1112Y92.1Very high86.8Confident1 Ų141.6 Ų41.60%0.00421%0.207CC..Hα-helixtrans-66.5-43.6178.4-67.7-81.9000112.6F1019 Y1064 V1077 I1086 L1087 S1090 A1109 I1114 F1115 F1116F1019-Y1112 HydrophobicContact CZ-CE2 4.45Å; Y1064-Y1112 WeakPolarHBondContact CE2-OH 3.45Å; Y1064-Y1112 PolarHBondContact OH-OH 3.41Å; V1077-Y1112 HydrophobicContact CG1-CD1 4.03Å; V1077-Y1112 HydrophobicContact CG1-CE1 4.33Å; V1077-Y1112 HydrophobicContact CG2-CE1 4.24Å; I1086-Y1112 HydrophobicContact CG2-CE1 4.04Å; L1087-Y1112 HydrophobicContact CD1-CD2 3.67Å; L1087-Y1112 HydrophobicContact CD1-CE2 4.28Å; L1087-Y1112 HydrophobicContact CD1-CG 4.19Å; S1090-Y1112 VanDerWaalsContact OG-CE2 3.31Å; S1090-Y1112 WeakPolarHBondContact OG-CE2 3.5Å; S1090-Y1112 PolarHBondContact OG-OH 2.92Å; A1109-Y1112 PolarHBondContact O-N 3.43Å; Y1112-I1114 VanDerWaalsContact C-N 3.31Å; Y1112-I1114 PolarHBondContact O-N 2.98Å; Y1112-F1115 WeakPolarHBondContact O-CB 3.33Å; Y1112-F1115 PolarHBondContact O-N 3.41Å; Y1112-F1115 VanDerWaalsContact O-N 3.11Å; Y1112-F1116 WeakPolarHBondContact O-CD2 3.25Å; Y1112-F1116 PolarHBondContact O-N 3.02Å
1113I88.6Confident86.6Confident44 Ų4434.9 Ų34.923%0.22618%0.175CC..Hα-helixtrans-58.1-44.9176-66.1167000110.8L665 F668 A1109 I1110 I1117L665-I1113 HydrophobicContact CD2-CD1 3.94Å; L665-I1113 HydrophobicContact CD2-CG1 4.44Å; F668-I1113 HydrophobicContact CD1-CG1 4.38Å; F668-I1113 HydrophobicContact CE1-CG1 4.24Å; A1109-I1113 WeakPolarHBondContact O-CG1 3.44Å; A1109-I1113 PolarHBondContact O-N 2.88Å; I1110-I1113 PolarHBondContact O-N 3.2Å; I1113-I1117 HydrophobicContact CG2-CD1 3.88Å; I1113-I1117 WeakPolarHBondContact O-CB 3.46Å; I1113-I1117 WeakPolarHBondContact O-CD1 3.45Å; I1113-I1117 WeakPolarHBondContact O-CG1 3.46Å; I1113-I1117 PolarHBondContact O-N 3.19Å
1114I87Confident86.5Confident84 Ų8435 Ų3543%0.43118%0.178SC..Hα-helixtrans-65.4-40.6176.3-67.8170.7000111.1F1011 I1110 F1111 Y1112 I1117 V1118F1011-I1114 HydrophobicContact CE1-CG2 4.14Å; F1011-I1114 HydrophobicContact CZ-CG2 4.11Å; I1110-I1114 HydrophobicContact CG2-CD1 3.82Å; I1110-I1114 HydrophobicContact CG2-CG1 4.41Å; I1110-I1114 VanDerWaalsContact O-CG1 3.31Å; I1110-I1114 WeakPolarHBondContact O-CG1 3.31Å; I1110-I1114 PolarHBondContact O-N 3.18Å; F1111-I1114 PolarHBondContact O-N 2.91Å; Y1112-I1114 VanDerWaalsContact C-N 3.31Å; Y1112-I1114 PolarHBondContact O-N 2.98Å; I1114-I1117 PolarHBondContact O-N 3.1Å; I1114-V1118 WeakPolarHBondContact O-CG2 3.47Å; I1114-V1118 PolarHBondContact O-N 2.89Å; I1114-V1118 VanDerWaalsContact O-N 3.14Å
1115F91.1Very high86.2Confident0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-61.3-51.2178.4-174-90.6000111.9F1011 L1074 V1077 T1078 F1111 Y1112 I1117 V1118 F1119F1011-F1115 HydrophobicContact CB-CD2 4.23Å; F1011-F1115 HydrophobicContact CB-CE2 4.23Å; F1011-F1115 AromaticContact CD1-CD2 3.7Å; F1011-F1115 HydrophobicContact CD1-CD2 3.7Å; F1011-F1115 HydrophobicContact CD1-CE2 4.49Å; F1011-F1115 HydrophobicContact CE1-CB 4.45Å; F1011-F1115 HydrophobicContact CE1-CD2 4.22Å; F1011-F1115 HydrophobicContact CG-CD2 4.06Å; F1011-F1115 HydrophobicContact CG-CE2 4.43Å; L1074-F1115 HydrophobicContact CB-CE2 3.93Å; L1074-F1115 HydrophobicContact CB-CZ 3.8Å; L1074-F1115 HydrophobicContact CD1-CE2 3.98Å; L1074-F1115 HydrophobicContact CD2-CD2 4.02Å; L1074-F1115 HydrophobicContact CD2-CE2 3.83Å; L1074-F1115 HydrophobicContact CD2-CG 4.47Å; L1074-F1115 HydrophobicContact CD2-CZ 4.12Å; L1074-F1115 HydrophobicContact CG-CE2 4.12Å; L1074-F1115 HydrophobicContact CG-CZ 4.4Å; L1074-F1115 VanDerWaalsContact O-CZ 3.25Å; L1074-F1115 WeakPolarHBondContact O-CZ 3.43Å; V1077-F1115 HydrophobicContact CB-CE1 4.2Å; V1077-F1115 HydrophobicContact CG1-CD1 3.67Å; V1077-F1115 HydrophobicContact CG1-CE1 3.79Å; T1078-F1115 VanDerWaalsContact OG1-CE1 3.26Å; T1078-F1115 WeakPolarHBondContact OG1-CE1 3.37Å; T1078-F1115 WeakPolarHBondContact OG1-CZ 3.35Å; F1111-F1115 WeakPolarHBondContact O-CB 3.49Å; F1111-F1115 PolarHBondContact O-N 3.4Å; Y1112-F1115 WeakPolarHBondContact O-CB 3.33Å; Y1112-F1115 PolarHBondContact O-N 3.41Å; Y1112-F1115 VanDerWaalsContact O-N 3.11Å; F1115-I1117 VanDerWaalsContact C-N 3.31Å; F1115-I1117 PolarHBondContact O-N 3.36Å; F1115-V1118 PolarHBondContact O-N 2.94Å; F1115-F1119 HydrophobicContact CD1-CD2 4.23Å; F1115-F1119 AromaticContact CD2-CD2 3.44Å; F1115-F1119 HydrophobicContact CD2-CD2 3.44Å; F1115-F1119 VanDerWaalsContact CD2-CD2 3.44Å; F1115-F1119 AromaticContact CD2-CE2 3.51Å; F1115-F1119 HydrophobicContact CD2-CE2 3.51Å; F1115-F1119 HydrophobicContact CE1-CB 4.17Å; F1115-F1119 HydrophobicContact CE1-CD2 4.07Å; F1115-F1119 HydrophobicContact CE1-CG 4.35Å; F1115-F1119 AromaticContact CE2-CD2 3.24Å; F1115-F1119 HydrophobicContact CE2-CD2 3.24Å; F1115-F1119 AromaticContact CE2-CE2 3.3Å; F1115-F1119 HydrophobicContact CE2-CE2 3.3Å; F1115-F1119 AromaticContact CE2-CG 4Å; F1115-F1119 HydrophobicContact CE2-CG 4Å; F1115-F1119 HydrophobicContact CE2-CZ 4.07Å; F1115-F1119 AromaticContact CG-CD2 3.93Å; F1115-F1119 HydrophobicContact CG-CD2 3.93Å; F1115-F1119 HydrophobicContact CG-CE2 4.4Å; F1115-F1119 HydrophobicContact CZ-CB 4.16Å; F1115-F1119 AromaticContact CZ-CD2 3.57Å; F1115-F1119 HydrophobicContact CZ-CD2 3.57Å; F1115-F1119 HydrophobicContact CZ-CE2 4.05Å; F1115-F1119 AromaticContact CZ-CG 3.89Å; F1115-F1119 HydrophobicContact CZ-CG 3.89Å; F1115-F1119 WeakPolarHBondContact O-CD2 3.19Å; F1115-F1119 PolarHBondContact O-N 2.99Å
1116F89.7Confident86Confident3 Ų329.9 Ų29.91%0.01315%0.154CC..Hα-helixtrans-57.4-41.5176.7-94.1-86.9000113F668 T672 V1077 W1083 Y1112 V1118 P1120 F1121F668-F1116 HydrophobicContact CE1-CB 4.38Å; F668-F1116 HydrophobicContact CE1-CD2 4.14Å; F668-F1116 HydrophobicContact CE1-CG 4.21Å; F668-F1116 HydrophobicContact CZ-CB 3.63Å; F668-F1116 HydrophobicContact CZ-CD1 4.46Å; F668-F1116 HydrophobicContact CZ-CD2 4.23Å; F668-F1116 AromaticContact CZ-CG 3.86Å; F668-F1116 HydrophobicContact CZ-CG 3.86Å; T672-F1116 HydrophobicContact CG2-CD1 3.64Å; T672-F1116 HydrophobicContact CG2-CE1 3.52Å; T672-F1116 HydrophobicContact CG2-CG 4.39Å; T672-F1116 HydrophobicContact CG2-CZ 4.17Å; V1077-F1116 HydrophobicContact CG1-CD2 4.4Å; V1077-F1116 HydrophobicContact CG1-CE2 3.75Å; V1077-F1116 HydrophobicContact CG1-CZ 4.31Å; W1083-F1116 HydrophobicContact CB-CZ 4.4Å; W1083-F1116 AromaticContact CD1-CZ 3.79Å; W1083-F1116 AromaticContact CD2-CE2 3.5Å; W1083-F1116 HydrophobicContact CD2-CE2 3.5Å; W1083-F1116 VanDerWaalsContact CD2-CE2 3.5Å; W1083-F1116 AromaticContact CD2-CZ 3.5Å; W1083-F1116 HydrophobicContact CD2-CZ 3.5Å; W1083-F1116 VanDerWaalsContact CD2-CZ 3.5Å; W1083-F1116 AromaticContact CE2-CE2 3.93Å; W1083-F1116 AromaticContact CE2-CZ 3.62Å; W1083-F1116 AromaticContact CE3-CE2 3.54Å; W1083-F1116 HydrophobicContact CE3-CE2 3.54Å; W1083-F1116 HydrophobicContact CE3-CZ 4.06Å; W1083-F1116 AromaticContact CG-CE2 3.94Å; W1083-F1116 HydrophobicContact CG-CE2 3.94Å; W1083-F1116 AromaticContact CG-CZ 3.62Å; W1083-F1116 HydrophobicContact CG-CZ 3.62Å; W1083-F1116 HydrophobicContact CH2-CE2 4.43Å; W1083-F1116 HydrophobicContact CZ2-CE2 4.38Å; W1083-F1116 HydrophobicContact CZ2-CZ 4.28Å; W1083-F1116 HydrophobicContact CZ3-CE2 4.01Å; W1083-F1116 AromaticContact NE1-CZ 3.75Å; Y1112-F1116 WeakPolarHBondContact O-CD2 3.25Å; Y1112-F1116 PolarHBondContact O-N 3.02Å; F1116-V1118 VanDerWaalsContact C-N 3.28Å; F1116-V1118 PolarHBondContact O-N 3.05Å; F1116-P1120 HydrophobicContact CD1-CB 4.07Å; F1116-P1120 HydrophobicContact CD1-CG 3.72Å; F1116-P1120 HydrophobicContact CE1-CG 4.03Å; F1116-P1120 HydrophobicContact CG-CG 4.4Å; F1116-F1121 PolarHBondContact O-N 2.92Å
1117I83.9Confident85.8Confident35 Ų3528.6 Ų28.618%0.17915%0.147CC..Hα-helixtrans-61.5-35175.9-73.9166.8000112.1L624 I1113 I1114 F1115 F1121 F1122L624-I1117 HydrophobicContact CD1-CD1 4.34Å; L624-I1117 HydrophobicContact CD1-CG2 3.81Å; L624-I1117 HydrophobicContact CD2-CB 4.46Å; L624-I1117 HydrophobicContact CD2-CD1 3.72Å; L624-I1117 HydrophobicContact CD2-CG1 3.75Å; L624-I1117 HydrophobicContact CD2-CG2 3.88Å; L624-I1117 HydrophobicContact CG-CG2 4.46Å; I1113-I1117 HydrophobicContact CG2-CD1 3.88Å; I1113-I1117 WeakPolarHBondContact O-CB 3.46Å; I1113-I1117 WeakPolarHBondContact O-CD1 3.45Å; I1113-I1117 WeakPolarHBondContact O-CG1 3.46Å; I1113-I1117 PolarHBondContact O-N 3.19Å; I1114-I1117 PolarHBondContact O-N 3.1Å; F1115-I1117 VanDerWaalsContact C-N 3.31Å; F1115-I1117 PolarHBondContact O-N 3.36Å; I1117-F1121 HydrophobicContact CG1-CD2 4.3Å; I1117-F1122 VanDerWaalsContact O-CB 3.3Å; I1117-F1122 WeakPolarHBondContact O-CB 3.35Å
1118V82.7Confident85.7Confident32 Ų3225.7 Ų25.719%0.19414%0.135CC..Hα-helixtrans-86.5-44.4-177.1171.70000112.2F1007 F1011 I1114 F1115 F1116 F1122 F1123F1007-V1118 HydrophobicContact CD1-CG1 4.26Å; F1011-V1118 HydrophobicContact CE2-CG1 4.41Å; F1011-V1118 HydrophobicContact CZ-CG2 4.39Å; I1114-V1118 WeakPolarHBondContact O-CG2 3.47Å; I1114-V1118 PolarHBondContact O-N 2.89Å; I1114-V1118 VanDerWaalsContact O-N 3.14Å; F1115-V1118 PolarHBondContact O-N 2.94Å; F1116-V1118 VanDerWaalsContact C-N 3.28Å; F1116-V1118 PolarHBondContact O-N 3.05Å; V1118-F1122 WeakPolarHBondContact O-CB 3.48Å; V1118-F1123 HydrophobicContact CG1-CD2 3.93Å; V1118-F1123 HydrophobicContact CG1-CE2 3.74Å; V1118-F1123 WeakPolarHBondContact O-CD2 3.28Å; V1118-F1123 PolarHBondContact O-N 2.93Å
1119F87.6Confident85.4Confident0 Ų024.3 Ų24.30%013%0.128CC..Iπ-helixtrans-93.3-78.9-171-64.2-87.2000112.3Y1004 F1007 Q1008 F1011 T1078 F1115 F1121 F1123 V1124Y1004-F1119 AromaticContact CD2-CD1 3.91Å; Y1004-F1119 HydrophobicContact CD2-CD1 3.91Å; Y1004-F1119 HydrophobicContact CD2-CE1 4.34Å; Y1004-F1119 AromaticContact CE2-CD1 3.67Å; Y1004-F1119 HydrophobicContact CE2-CD1 3.67Å; Y1004-F1119 HydrophobicContact CE2-CE1 4.38Å; F1007-F1119 HydrophobicContact CB-CE1 3.86Å; F1007-F1119 HydrophobicContact CB-CZ 3.75Å; Q1008-F1119 HydrophobicContact CB-CE1 4.22Å; F1011-F1119 HydrophobicContact CB-CE2 4.38Å; F1011-F1119 HydrophobicContact CD1-CE2 4.35Å; F1011-F1119 AromaticContact CD2-CE2 3.56Å; F1011-F1119 HydrophobicContact CD2-CE2 3.56Å; F1011-F1119 AromaticContact CD2-CZ 3.77Å; F1011-F1119 HydrophobicContact CD2-CZ 3.77Å; F1011-F1119 AromaticContact CE2-CE2 3.78Å; F1011-F1119 HydrophobicContact CE2-CE2 3.78Å; F1011-F1119 HydrophobicContact CE2-CZ 4.22Å; F1011-F1119 AromaticContact CG-CE2 3.86Å; F1011-F1119 HydrophobicContact CG-CE2 3.86Å; F1011-F1119 HydrophobicContact CG-CZ 4.29Å; F1011-F1119 HydrophobicContact CZ-CE2 4.26Å; T1078-F1119 HydrophobicContact CG2-CB 4.04Å; F1115-F1119 HydrophobicContact CD1-CD2 4.23Å; F1115-F1119 AromaticContact CD2-CD2 3.44Å; F1115-F1119 HydrophobicContact CD2-CD2 3.44Å; F1115-F1119 VanDerWaalsContact CD2-CD2 3.44Å; F1115-F1119 AromaticContact CD2-CE2 3.51Å; F1115-F1119 HydrophobicContact CD2-CE2 3.51Å; F1115-F1119 HydrophobicContact CE1-CB 4.17Å; F1115-F1119 HydrophobicContact CE1-CD2 4.07Å; F1115-F1119 HydrophobicContact CE1-CG 4.35Å; F1115-F1119 AromaticContact CE2-CD2 3.24Å; F1115-F1119 HydrophobicContact CE2-CD2 3.24Å; F1115-F1119 AromaticContact CE2-CE2 3.3Å; F1115-F1119 HydrophobicContact CE2-CE2 3.3Å; F1115-F1119 AromaticContact CE2-CG 4Å; F1115-F1119 HydrophobicContact CE2-CG 4Å; F1115-F1119 HydrophobicContact CE2-CZ 4.07Å; F1115-F1119 AromaticContact CG-CD2 3.93Å; F1115-F1119 HydrophobicContact CG-CD2 3.93Å; F1115-F1119 HydrophobicContact CG-CE2 4.4Å; F1115-F1119 HydrophobicContact CZ-CB 4.16Å; F1115-F1119 AromaticContact CZ-CD2 3.57Å; F1115-F1119 HydrophobicContact CZ-CD2 3.57Å; F1115-F1119 HydrophobicContact CZ-CE2 4.05Å; F1115-F1119 AromaticContact CZ-CG 3.89Å; F1115-F1119 HydrophobicContact CZ-CG 3.89Å; F1115-F1119 WeakPolarHBondContact O-CD2 3.19Å; F1115-F1119 PolarHBondContact O-N 2.99Å; F1119-F1121 PolarHBondContact O-N 3.05Å; F1119-F1123 AromaticContact CD1-CD2 3.73Å; F1119-F1123 HydrophobicContact CD1-CD2 3.73Å; F1119-F1123 HydrophobicContact CD1-CE2 4.32Å; F1119-F1123 HydrophobicContact CE1-CD2 4.01Å; F1119-F1123 HydrophobicContact CE1-CE2 4.14Å; F1119-F1123 HydrophobicContact CG-CD2 4.32Å; F1119-F1123 PolarHBondContact O-N 3.16Å; F1119-V1124 PolarHBondContact O-N 2.88Å; F1119-V1124 VanDerWaalsContact O-N 3.12Å
1120P85.6Confident85Confident21 Ų2124.8 Ų24.814%0.13613%0.129CC..Iπ-helixtrans-47.3-54.8172.5-3234.8000115T1078 F1116 F1122 V1124T1078-P1120 HydrophobicContact CG2-CG 4.44Å; F1116-P1120 HydrophobicContact CD1-CB 4.07Å; F1116-P1120 HydrophobicContact CD1-CG 3.72Å; F1116-P1120 HydrophobicContact CE1-CG 4.03Å; F1116-P1120 HydrophobicContact CG-CG 4.4Å; P1120-F1122 PolarHBondContact O-N 3.26Å; P1120-V1124 WeakPolarHBondContact O-CB 3.4Å
1121F83.3Confident84.7Confident22 Ų2220 Ų2010%0.09611%0.105CC..Iπ-helixtrans-78.4-24-171.1-65.1-13.6000114.1L627 F668 T672 F716 F1116 I1117 F1119 N1125L627-F1121 HydrophobicContact CD2-CE2 4.19Å; F668-F1121 HydrophobicContact CE2-CE2 4.11Å; F668-F1121 HydrophobicContact CE2-CZ 4.35Å; T672-F1121 HydrophobicContact CG2-CZ 4.47Å; F716-F1121 WeakPolarHBondContact CB-O 3.48Å; F716-F1121 HydrophobicContact CD1-CB 4.12Å; F716-F1121 WeakPolarHBondContact CD1-O 3.32Å; F716-F1121 HydrophobicContact CD2-CB 3.95Å; F716-F1121 HydrophobicContact CD2-CD2 4.46Å; F716-F1121 HydrophobicContact CD2-CG 4.18Å; F716-F1121 HydrophobicContact CE1-CB 3.95Å; F716-F1121 HydrophobicContact CE2-CB 3.76Å; F716-F1121 AromaticContact CE2-CD2 3.62Å; F716-F1121 HydrophobicContact CE2-CD2 3.62Å; F716-F1121 HydrophobicContact CE2-CE2 4.36Å; F716-F1121 AromaticContact CE2-CG 3.78Å; F716-F1121 HydrophobicContact CE2-CG 3.78Å; F716-F1121 HydrophobicContact CG-CB 4.13Å; F716-F1121 WeakPolarHBondContact CG-O 3.33Å; F716-F1121 HydrophobicContact CZ-CB 3.76Å; F716-F1121 AromaticContact CZ-CD2 3.77Å; F716-F1121 HydrophobicContact CZ-CD2 3.77Å; F716-F1121 HydrophobicContact CZ-CG 4.09Å; F1116-F1121 PolarHBondContact O-N 2.92Å; I1117-F1121 HydrophobicContact CG1-CD2 4.3Å; F1119-F1121 PolarHBondContact O-N 3.05Å; F1121-N1125 PolarHBondContact O-ND2 3.47Å
1122F80.5Confident84.2Confident27 Ų2719.2 Ų19.212%0.11810%0.102CC..Iπ-helixtrans-119-55.5-173.1-174.5-121.8000114L613 I620 I1117 V1118 P1120 N1125 I1126L613-F1122 HydrophobicContact CB-CE1 4.38Å; L613-F1122 HydrophobicContact CB-CZ 4.15Å; L613-F1122 HydrophobicContact CD1-CE1 4.15Å; L613-F1122 HydrophobicContact CD2-CE1 3.96Å; L613-F1122 HydrophobicContact CD2-CZ 3.62Å; L613-F1122 HydrophobicContact CG-CE1 4.36Å; L613-F1122 HydrophobicContact CG-CZ 4.27Å; I620-F1122 HydrophobicContact CD1-CD2 3.97Å; I620-F1122 HydrophobicContact CD1-CE1 4.43Å; I620-F1122 HydrophobicContact CD1-CE2 3.36Å; I620-F1122 HydrophobicContact CD1-CZ 3.6Å; I620-F1122 HydrophobicContact CG1-CE2 4.34Å; I1117-F1122 VanDerWaalsContact O-CB 3.3Å; I1117-F1122 WeakPolarHBondContact O-CB 3.35Å; V1118-F1122 WeakPolarHBondContact O-CB 3.48Å; P1120-F1122 PolarHBondContact O-N 3.26Å; F1122-N1125 PolarHBondContact O-N 3.11Å; F1122-I1126 HydrophobicContact CD1-CD1 4.04Å; F1122-I1126 HydrophobicContact CD2-CD1 4.04Å; F1122-I1126 HydrophobicContact CE1-CD1 3.82Å; F1122-I1126 HydrophobicContact CE2-CD1 3.8Å; F1122-I1126 HydrophobicContact CE2-CG1 4.48Å; F1122-I1126 HydrophobicContact CG-CD1 4.17Å; F1122-I1126 HydrophobicContact CZ-CD1 3.72Å; F1122-I1126 VanDerWaalsContact O-CG1 3.3Å; F1122-I1126 WeakPolarHBondContact O-CG1 3.03Å; F1122-I1126 PolarHBondContact O-N 2.98Å
1123F82.6Confident83.5Confident2 Ų219.8 Ų19.81%0.00911%0.105CC..Iπ-helixtrans-64.4-43178-84-64.2000113.2V1003 Y1004 F1007 V1118 F1119 N1125 I1126 F1127V1003-F1123 HydrophobicContact CG1-CE1 4.08Å; V1003-F1123 HydrophobicContact CG1-CZ 4.19Å; Y1004-F1123 HydrophobicContact CD2-CB 3.94Å; Y1004-F1123 HydrophobicContact CD2-CD2 4.4Å; Y1004-F1123 HydrophobicContact CD2-CG 4.11Å; Y1004-F1123 HydrophobicContact CE2-CB 4.48Å; F1007-F1123 HydrophobicContact CB-CE2 3.9Å; F1007-F1123 HydrophobicContact CB-CZ 4.15Å; F1007-F1123 AromaticContact CD1-CE2 3.78Å; F1007-F1123 HydrophobicContact CD1-CE2 3.78Å; F1007-F1123 AromaticContact CD1-CZ 3.98Å; F1007-F1123 HydrophobicContact CD1-CZ 3.98Å; F1007-F1123 HydrophobicContact CD2-CE2 4.24Å; F1007-F1123 AromaticContact CD2-CZ 3.71Å; F1007-F1123 HydrophobicContact CD2-CZ 3.71Å; F1007-F1123 HydrophobicContact CE1-CE2 4.27Å; F1007-F1123 HydrophobicContact CE1-CZ 4.21Å; F1007-F1123 AromaticContact CE2-CZ 3.93Å; F1007-F1123 HydrophobicContact CE2-CZ 3.93Å; F1007-F1123 AromaticContact CG-CE2 3.74Å; F1007-F1123 HydrophobicContact CG-CE2 3.74Å; F1007-F1123 AromaticContact CG-CZ 3.71Å; F1007-F1123 HydrophobicContact CG-CZ 3.71Å; F1007-F1123 HydrophobicContact CZ-CZ 4.17Å; V1118-F1123 HydrophobicContact CG1-CD2 3.93Å; V1118-F1123 HydrophobicContact CG1-CE2 3.74Å; V1118-F1123 WeakPolarHBondContact O-CD2 3.28Å; V1118-F1123 PolarHBondContact O-N 2.93Å; F1119-F1123 AromaticContact CD1-CD2 3.73Å; F1119-F1123 HydrophobicContact CD1-CD2 3.73Å; F1119-F1123 HydrophobicContact CD1-CE2 4.32Å; F1119-F1123 HydrophobicContact CE1-CD2 4.01Å; F1119-F1123 HydrophobicContact CE1-CE2 4.14Å; F1119-F1123 HydrophobicContact CG-CD2 4.32Å; F1119-F1123 PolarHBondContact O-N 3.16Å; F1123-N1125 PolarHBondContact O-N 3.23Å; F1123-I1126 PolarHBondContact O-N 3.35Å; F1123-I1126 VanDerWaalsContact O-N 3.15Å; F1123-F1127 HydrophobicContact CB-CE2 4.47Å; F1123-F1127 WeakPolarHBondContact O-CD2 3.28Å; F1123-F1127 PolarHBondContact O-N 3.39Å
1124V83Confident82.9Confident60 Ų6018 Ų1836%0.36410%0.096SC..Iπ-helixtrans-61.4-46.2177.5-176.60000110.5F1119 P1120 I1126 F1127 V1128F1119-V1124 PolarHBondContact O-N 2.88Å; F1119-V1124 VanDerWaalsContact O-N 3.12Å; P1120-V1124 WeakPolarHBondContact O-CB 3.4Å; V1124-I1126 VanDerWaalsContact C-N 3.28Å; V1124-I1126 PolarHBondContact O-N 3.25Å; V1124-F1127 WeakPolarHBondContact O-CB 3.42Å; V1124-F1127 PolarHBondContact O-N 3.41Å; V1124-V1128 WeakPolarHBondContact O-CG2 3.19Å; V1124-V1128 PolarHBondContact O-N 3.31Å
1125N81.6Confident82.3Confident3 Ų315 Ų152%0.0168%0.08CC..Hα-helixtrans-64-27.7176-78.8-51.8000113.8F716 A720 F1121 F1122 F1123 A1129F716-N1125 WeakPolarHBondContact CB-ND2 3.38Å; A720-N1125 HydrophobicContact CB-CB 4.03Å; A720-N1125 WeakPolarHBondContact CB-O 3.13Å; F1121-N1125 PolarHBondContact O-ND2 3.47Å; F1122-N1125 PolarHBondContact O-N 3.11Å; F1123-N1125 PolarHBondContact O-N 3.23Å; N1125-A1129 VanDerWaalsContact O-CB 3.23Å; N1125-A1129 WeakPolarHBondContact O-CB 3.49Å; N1125-A1129 PolarHBondContact O-N 2.97Å
1126I82.6Confident81.3Confident8 Ų817 Ų174%0.0419%0.089CC..Hα-helixtrans-70.1-40.4170-72.9166.4000111.3L613 A720 I1000 F1122 F1123 V1124 A1129 L1130L613-I1126 HydrophobicContact CD2-CD1 3.8Å; A720-I1126 HydrophobicContact CB-CG1 4.19Å; I1000-I1126 HydrophobicContact CG2-CG2 4.12Å; F1122-I1126 HydrophobicContact CD1-CD1 4.04Å; F1122-I1126 HydrophobicContact CD2-CD1 4.04Å; F1122-I1126 HydrophobicContact CE1-CD1 3.82Å; F1122-I1126 HydrophobicContact CE2-CD1 3.8Å; F1122-I1126 HydrophobicContact CE2-CG1 4.48Å; F1122-I1126 HydrophobicContact CG-CD1 4.17Å; F1122-I1126 HydrophobicContact CZ-CD1 3.72Å; F1122-I1126 VanDerWaalsContact O-CG1 3.3Å; F1122-I1126 WeakPolarHBondContact O-CG1 3.03Å; F1122-I1126 PolarHBondContact O-N 2.98Å; F1123-I1126 PolarHBondContact O-N 3.35Å; F1123-I1126 VanDerWaalsContact O-N 3.15Å; V1124-I1126 VanDerWaalsContact C-N 3.28Å; V1124-I1126 PolarHBondContact O-N 3.25Å; I1126-A1129 PolarHBondContact O-N 3.18Å; I1126-L1130 VanDerWaalsContact O-CB 3.32Å; I1126-L1130 WeakPolarHBondContact O-CB 3.32Å; I1126-L1130 PolarHBondContact O-N 2.97Å
1127F81.3Confident80.4Confident29 Ų2919.7 Ų19.713%0.12710%0.102CC..Hα-helixtrans-62.9-45.1173.7-69.3-62.5000111.5V997 I1000 L1001 Y1004 F1123 V1124 L1130 I1131V997-F1127 HydrophobicContact CG1-CD1 3.83Å; V997-F1127 HydrophobicContact CG1-CE1 3.89Å; I1000-F1127 HydrophobicContact CB-CD1 4.24Å; I1000-F1127 HydrophobicContact CB-CE1 3.68Å; I1000-F1127 HydrophobicContact CB-CZ 4.43Å; I1000-F1127 HydrophobicContact CG2-CD1 4.07Å; I1000-F1127 HydrophobicContact CG2-CE1 3.58Å; I1000-F1127 HydrophobicContact CG2-CZ 3.97Å; L1001-F1127 HydrophobicContact CB-CE1 4.48Å; L1001-F1127 HydrophobicContact CD1-CZ 4.23Å; Y1004-F1127 AromaticContact CD2-CE2 3.86Å; Y1004-F1127 HydrophobicContact CD2-CE2 3.86Å; Y1004-F1127 HydrophobicContact CD2-CZ 4.35Å; Y1004-F1127 HydrophobicContact CG-CE2 4.15Å; Y1004-F1127 HydrophobicContact CG-CZ 4.19Å; F1123-F1127 HydrophobicContact CB-CE2 4.47Å; F1123-F1127 WeakPolarHBondContact O-CD2 3.28Å; F1123-F1127 PolarHBondContact O-N 3.39Å; V1124-F1127 WeakPolarHBondContact O-CB 3.42Å; V1124-F1127 PolarHBondContact O-N 3.41Å; F1127-L1130 PolarHBondContact O-N 2.87Å; F1127-I1131 VanDerWaalsContact O-CG1 3.28Å; F1127-I1131 WeakPolarHBondContact O-CG1 3.38Å; F1127-I1131 PolarHBondContact O-N 3.18Å
1128V82.2Confident79.6Confident13 Ų1320.2 Ų20.28%0.07910%0.104CC..Hα-helixtrans-56.3-52173177.60000110.6L717 V1124 L1130 I1131 I1132 L1427L717-V1128 HydrophobicContact CD1-CB 3.98Å; L717-V1128 HydrophobicContact CD1-CG1 3.56Å; L717-V1128 HydrophobicContact CD2-CG1 4.44Å; V1124-V1128 WeakPolarHBondContact O-CG2 3.19Å; V1124-V1128 PolarHBondContact O-N 3.31Å; V1128-L1130 VanDerWaalsContact C-N 3.33Å; V1128-L1130 PolarHBondContact O-N 3.12Å; V1128-I1131 PolarHBondContact O-N 2.98Å; V1128-I1132 HydrophobicContact CG1-CD1 3.85Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.2Å; V1128-I1132 PolarHBondContact O-N 3.42Å; V1128-L1427 HydrophobicContact CB-CD1 4.29Å; V1128-L1427 HydrophobicContact CB-CD2 4.45Å; V1128-L1427 HydrophobicContact CG1-CD1 4.11Å; V1128-L1427 HydrophobicContact CG2-CD1 3.81Å; V1128-L1427 HydrophobicContact CG2-CD2 3.75Å; V1128-L1427 HydrophobicContact CG2-CG 4.46Å
1129A80.3Confident78.8Confident0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-60.2-39.6179.800000113A720 V721 L724 N1125 I1126 I1133A720-A1129 HydrophobicContact CB-CB 4.1Å; V721-A1129 HydrophobicContact CB-CB 4.4Å; V721-A1129 HydrophobicContact CG2-CB 3.6Å; L724-A1129 HydrophobicContact CD2-CB 4.06Å; N1125-A1129 VanDerWaalsContact O-CB 3.23Å; N1125-A1129 WeakPolarHBondContact O-CB 3.49Å; N1125-A1129 PolarHBondContact O-N 2.97Å; I1126-A1129 PolarHBondContact O-N 3.18Å; A1129-I1133 WeakPolarHBondContact O-CD1 3.48Å; A1129-I1133 VanDerWaalsContact O-CG1 3.26Å; A1129-I1133 WeakPolarHBondContact O-CG1 3.34Å; A1129-I1133 PolarHBondContact O-N 3.05Å
1130L81.3Confident77.7Confident15 Ų1526.2 Ų26.28%0.07914%0.137CC..Hα-helixtrans-69.2-42.4178.7-171.5152.8000111.7L724 N996 V997 I1000 I1126 F1127 V1128 I1133 T1134L724-L1130 HydrophobicContact CD2-CB 3.67Å; L724-L1130 HydrophobicContact CD2-CG 4.33Å; N996-L1130 HydrophobicContact CB-CD2 3.81Å; V997-L1130 HydrophobicContact CG2-CD2 3.76Å; I1000-L1130 HydrophobicContact CD1-CD1 4.2Å; I1000-L1130 HydrophobicContact CG1-CD1 3.46Å; I1000-L1130 VanDerWaalsContact CG1-CD1 3.46Å; I1126-L1130 VanDerWaalsContact O-CB 3.32Å; I1126-L1130 WeakPolarHBondContact O-CB 3.32Å; I1126-L1130 PolarHBondContact O-N 2.97Å; F1127-L1130 PolarHBondContact O-N 2.87Å; V1128-L1130 VanDerWaalsContact C-N 3.33Å; V1128-L1130 PolarHBondContact O-N 3.12Å; L1130-I1133 PolarHBondContact O-N 2.94Å; L1130-T1134 HydrophobicContact CD2-CG2 3.98Å; L1130-T1134 HydrophobicContact CG-CG2 4.49Å; L1130-T1134 WeakPolarHBondContact O-CB 3.42Å; L1130-T1134 WeakPolarHBondContact O-CG2 3.32Å; L1130-T1134 PolarHBondContact O-N 2.91Å; L1130-T1134 PolarHBondContact O-OG1 2.91Å
1131I81.8Confident76.8Confident1 Ų129.6 Ų29.61%0.00515%0.154CC..Hα-helixtrans-64.3-43.5176.7-64.7165.4000109.3V997 F1127 V1128 I1133 T1134 F1135 F1424 L1427 V1431V997-I1131 HydrophobicContact CG2-CD1 4.07Å; V997-I1131 HydrophobicContact CG2-CG1 3.73Å; F1127-I1131 VanDerWaalsContact O-CG1 3.28Å; F1127-I1131 WeakPolarHBondContact O-CG1 3.38Å; F1127-I1131 PolarHBondContact O-N 3.18Å; V1128-I1131 PolarHBondContact O-N 2.98Å; I1131-I1133 PolarHBondContact O-N 3.47Å; I1131-T1134 WeakPolarHBondContact CA-OG1 3.4Å; I1131-T1134 PolarHBondContact O-N 3.25Å; I1131-T1134 PolarHBondContact O-OG1 3.47Å; I1131-F1135 HydrophobicContact CG2-CD2 3.71Å; I1131-F1135 HydrophobicContact CG2-CE2 3.81Å; I1131-F1135 WeakPolarHBondContact O-CB 3.49Å; I1131-F1135 WeakPolarHBondContact O-CD2 3.2Å; I1131-F1135 PolarHBondContact O-N 2.89Å; I1131-F1424 HydrophobicContact CD1-CD2 3.99Å; I1131-F1424 HydrophobicContact CD1-CE2 3.75Å; I1131-F1424 HydrophobicContact CG1-CE2 4.45Å; I1131-L1427 HydrophobicContact CD1-CD2 3.62Å; I1131-L1427 HydrophobicContact CD1-CG 3.87Å; I1131-V1431 HydrophobicContact CB-CG2 4.42Å; I1131-V1431 HydrophobicContact CG2-CB 4.03Å; I1131-V1431 HydrophobicContact CG2-CG1 4.18Å; I1131-V1431 HydrophobicContact CG2-CG2 3.84Å
1132I79.1Confident75.5Confident3 Ų336.4 Ų36.42%0.01519%0.186CC..Hα-helixtrans-54.1-54.1172.2-69169.1000111.3V1128 T1134 F1135 Q1136 V1431V1128-I1132 HydrophobicContact CG1-CD1 3.85Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.2Å; V1128-I1132 PolarHBondContact O-N 3.42Å; I1132-T1134 VanDerWaalsContact C-N 3.34Å; I1132-T1134 PolarHBondContact O-N 3.38Å; I1132-F1135 PolarHBondContact O-N 2.97Å; I1132-Q1136 HydrophobicContact CG2-CG 4.39Å; I1132-Q1136 WeakPolarHBondContact O-CB 3.32Å; I1132-Q1136 VanDerWaalsContact O-CG 3.28Å; I1132-Q1136 WeakPolarHBondContact O-CG 3.47Å; I1132-Q1136 PolarHBondContact O-N 3.43Å; I1132-V1431 HydrophobicContact CB-CG1 4.5Å; I1132-V1431 HydrophobicContact CG1-CB 4.5Å; I1132-V1431 HydrophobicContact CG1-CG1 4.12Å; I1132-V1431 HydrophobicContact CG1-CG2 3.6Å
1133I77.6Confident74.3Confident13 Ų1338.7 Ų38.77%0.06720%0.199CC..Hα-helixtrans-67-34.2-175.7-65.1163.3000112L724 A725 A1129 L1130 I1131 Q1136 E1137L724-I1133 HydrophobicContact CB-CD1 4.24Å; L724-I1133 HydrophobicContact CD2-CD1 4.08Å; L724-I1133 HydrophobicContact CG-CD1 4.05Å; A725-I1133 HydrophobicContact CB-CD1 3.88Å; A1129-I1133 WeakPolarHBondContact O-CD1 3.48Å; A1129-I1133 VanDerWaalsContact O-CG1 3.26Å; A1129-I1133 WeakPolarHBondContact O-CG1 3.34Å; A1129-I1133 PolarHBondContact O-N 3.05Å; L1130-I1133 PolarHBondContact O-N 2.94Å; I1131-I1133 PolarHBondContact O-N 3.47Å; I1133-Q1136 WeakPolarHBondContact O-CB 3.32Å; I1133-Q1136 PolarHBondContact O-N 3.45Å; I1133-E1137 PolarHBondContact O-N 3.03Å
1134T76Confident73.2Confident8 Ų843.4 Ų43.45%0.04923%0.228CC..Hα-helixtrans-77-31.2178.253.20000113.1N996 L1130 I1131 I1132 Q1138N996-T1134 HydrophobicContact CB-CG2 4.15Å; L1130-T1134 HydrophobicContact CD2-CG2 3.98Å; L1130-T1134 HydrophobicContact CG-CG2 4.49Å; L1130-T1134 WeakPolarHBondContact O-CB 3.42Å; L1130-T1134 WeakPolarHBondContact O-CG2 3.32Å; L1130-T1134 PolarHBondContact O-N 2.91Å; L1130-T1134 PolarHBondContact O-OG1 2.91Å; I1131-T1134 WeakPolarHBondContact CA-OG1 3.4Å; I1131-T1134 PolarHBondContact O-N 3.25Å; I1131-T1134 PolarHBondContact O-OG1 3.47Å; I1132-T1134 VanDerWaalsContact C-N 3.34Å; I1132-T1134 PolarHBondContact O-N 3.38Å; T1134-Q1138 VanDerWaalsContact O-CG 3.3Å; T1134-Q1138 WeakPolarHBondContact O-CG 3.44Å; T1134-Q1138 PolarHBondContact O-N 3.07Å
1135F73.9Confident71.9Confident21 Ų2146.5 Ų46.59%0.09224%0.243CC..Hα-helixtrans-73.8-33168.5-90.7-106.7000112.5C989 I1131 I1132 Q1138 G1139 N1428 V1431 A1432 M1435C989-F1135 WeakPolarHBondContact SG-CE1 3.29Å; C989-F1135 WeakPolarHBondContact SG-CZ 3.25Å; I1131-F1135 HydrophobicContact CG2-CD2 3.71Å; I1131-F1135 HydrophobicContact CG2-CE2 3.81Å; I1131-F1135 WeakPolarHBondContact O-CB 3.49Å; I1131-F1135 WeakPolarHBondContact O-CD2 3.2Å; I1131-F1135 PolarHBondContact O-N 2.89Å; I1132-F1135 PolarHBondContact O-N 2.97Å; F1135-Q1138 PolarHBondContact O-N 3.4Å; F1135-G1139 PolarHBondContact O-N 2.98Å; F1135-N1428 HydrophobicContact CE2-CB 4.41Å; F1135-N1428 WeakPolarHBondContact CE2-OD1 3.26Å; F1135-N1428 HydrophobicContact CZ-CB 4.11Å; F1135-V1431 HydrophobicContact CB-CG1 3.49Å; F1135-V1431 VanDerWaalsContact CB-CG1 3.49Å; F1135-V1431 HydrophobicContact CD1-CG1 4.21Å; F1135-V1431 HydrophobicContact CD2-CG1 4.06Å; F1135-V1431 HydrophobicContact CG-CG1 3.67Å; F1135-A1432 HydrophobicContact CE1-CB 4.13Å; F1135-M1435 HydrophobicContact CB-CG 3.94Å
1136Q71.4Confident71Confident41 Ų4149.7 Ų49.719%0.19226%0.257CS..Hα-helixtrans-57.4-52167.9-77.8171.5-18.800110.1I1132 I1133 Q1138 G1139 E1140 M1435I1132-Q1136 HydrophobicContact CG2-CG 4.39Å; I1132-Q1136 WeakPolarHBondContact O-CB 3.32Å; I1132-Q1136 VanDerWaalsContact O-CG 3.28Å; I1132-Q1136 WeakPolarHBondContact O-CG 3.47Å; I1132-Q1136 PolarHBondContact O-N 3.43Å; I1133-Q1136 WeakPolarHBondContact O-CB 3.32Å; I1133-Q1136 PolarHBondContact O-N 3.45Å; Q1136-Q1138 PolarHBondContact O-N 2.72Å; Q1136-G1139 PolarHBondContact O-N 3.24Å; Q1136-E1140 WeakPolarHBondContact O-CB 3.24Å; Q1136-E1140 WeakPolarHBondContact O-CG 3.22Å; Q1136-E1140 PolarHBondContact O-N 2.9Å; Q1136-M1435 HydrophobicContact CB-CE 4.29Å; Q1136-M1435 HydrophobicContact CB-SD 4.29Å; Q1136-M1435 HydrophobicContact CG-CE 3.74Å; Q1136-M1435 HydrophobicContact CG-SD 3.34Å; Q1136-M1435 WeakPolarHBondContact CG-SD 3.46Å
1137E70.9Confident70.4Confident59 Ų5955.6 Ų55.628%0.27629%0.285SS..Hα-helixtrans-62.8-38.1178.8-173.2165.7-170.700112.6Q728 K801 I1133 N1141Q728-E1137 PolarHBondContact NE2-OE2 3.02Å; K801-E1137 WeakPolarHBondContact CD-OE1 3.47Å; K801-E1137 WeakPolarHBondContact CE-OE1 3.24Å; K801-E1137 IonicContact NZ-OE1 2.7Å; K801-E1137 PolarHBondContact NZ-OE1 3.45Å; K801-E1137 IonicContact NZ-OE2 2.58Å; K801-E1137 PolarHBondContact NZ-OE2 2.67Å; I1133-E1137 PolarHBondContact O-N 3.03Å; E1137-N1141 WeakPolarHBondContact O-CB 3.46Å; E1137-N1141 PolarHBondContact O-N 3.1Å; E1137-N1141 PolarHBondContact O-ND2 3.33Å
1138Q66.5Low70.1Confident47 Ų4754.7 Ų54.722%0.2228%0.281CS..Hα-helixtrans-69.8-44.5175.8-72.7175.836.300112.6C989 S992 T1134 F1135 Q1136 E1140 N1141 E1142C989-Q1138 PolarHBondContact SG-OE1 2.7Å; S992-Q1138 PolarHBondContact OG-NE2 3.11Å; T1134-Q1138 VanDerWaalsContact O-CG 3.3Å; T1134-Q1138 WeakPolarHBondContact O-CG 3.44Å; T1134-Q1138 PolarHBondContact O-N 3.07Å; F1135-Q1138 PolarHBondContact O-N 3.4Å; Q1136-Q1138 PolarHBondContact O-N 2.72Å; Q1138-E1140 VanDerWaalsContact C-N 3.34Å; Q1138-E1140 PolarHBondContact O-N 3.19Å; Q1138-N1141 PolarHBondContact O-N 2.96Å; Q1138-E1142 PolarHBondContact O-N 3.06Å
1139G65.2Low69.7Low30 Ų3057.9 Ų57.931%0.30930%0.298SS..Hα-helixtrans-66.6-32.1176.700000113.4F1135 Q1136 L1143F1135-G1139 PolarHBondContact O-N 2.98Å; Q1136-G1139 PolarHBondContact O-N 3.24Å; G1139-L1143 WeakPolarHBondContact O-CD1 3.4Å; G1139-L1143 WeakPolarHBondContact O-CG 3.38Å
1140E65.8Low69.4Low127 Ų12760.3 Ų60.359%0.59331%0.309SS*.Hα-helixtrans-67.8-41.4169.1-77.5-176.8-173.800111.7Q1136 Q1138 E1142 L1143 V1144Q1136-E1140 WeakPolarHBondContact O-CB 3.24Å; Q1136-E1140 WeakPolarHBondContact O-CG 3.22Å; Q1136-E1140 PolarHBondContact O-N 2.9Å; Q1138-E1140 VanDerWaalsContact C-N 3.34Å; Q1138-E1140 PolarHBondContact O-N 3.19Å; E1140-E1142 VanDerWaalsContact C-N 3.34Å; E1140-E1142 PolarHBondContact O-N 2.96Å; E1140-L1143 WeakPolarHBondContact O-CA 3.44Å; E1140-L1143 WeakPolarHBondContact O-CB 3.46Å; E1140-L1143 PolarHBondContact O-N 2.95Å; E1140-V1144 PolarHBondContact O-N 3.14Å
1141N65.4Low69.2Low92 Ų9261.4 Ų61.449%0.49232%0.315SS..Hα-helixtrans-61.5-36.8179.7-84.6-64.6000113E1137 Q1138 L1143 V1144E1137-N1141 WeakPolarHBondContact O-CB 3.46Å; E1137-N1141 PolarHBondContact O-N 3.1Å; E1137-N1141 PolarHBondContact O-ND2 3.33Å; Q1138-N1141 PolarHBondContact O-N 2.96Å; N1141-L1143 PolarHBondContact O-N 3.13Å; N1141-V1144 PolarHBondContact O-N 3.06Å
1142E57.4Low69.4Low165 Ų16563.6 Ų63.677%0.77133%0.325SS*.THydrogen-bonded Turntrans-66-15.9173.1-67.9-164.6172.100113.8Q1138 E1140Q1138-E1142 PolarHBondContact O-N 3.06Å; E1140-E1142 VanDerWaalsContact C-N 3.34Å; E1140-E1142 PolarHBondContact O-N 2.96Å
1143L55.2Low69.7Low75 Ų7565.6 Ų65.639%0.39333%0.333SS..THydrogen-bonded Turntrans-95.4-14.7179.4-61.4165.8000113.2G1139 E1140 N1141 D1145 K1150G1139-L1143 WeakPolarHBondContact O-CD1 3.4Å; G1139-L1143 WeakPolarHBondContact O-CG 3.38Å; E1140-L1143 WeakPolarHBondContact O-CA 3.44Å; E1140-L1143 WeakPolarHBondContact O-CB 3.46Å; E1140-L1143 PolarHBondContact O-N 2.95Å; N1141-L1143 PolarHBondContact O-N 3.13Å; L1143-D1145 PolarHBondContact O-N 3.33Å; L1143-K1150 HydrophobicContact CD1-CB 4.46Å; L1143-K1150 HydrophobicContact CD1-CD 3.77Å; L1143-K1150 HydrophobicContact CD2-CB 4.18Å; L1143-K1150 HydrophobicContact CD2-CD 3.92Å; L1143-K1150 HydrophobicContact CD2-CG 4.03Å
1144V58.7Low70.1Confident101 Ų10168.4 Ų68.461%0.61235%0.346SS*.THydrogen-bonded Turntrans-66.2-23.1-178.51730000112.7E1140 N1141 H1146E1140-V1144 PolarHBondContact O-N 3.14Å; N1141-V1144 PolarHBondContact O-N 3.06Å; V1144-H1146 PolarHBondContact O-N 2.91Å
1145D56Low70.7Confident125 Ų12568 Ų6867%0.66834%0.344SS*.THydrogen-bonded Turntrans-74.512.1-177.3-75.1-11.6000114.5L1143L1143-D1145 PolarHBondContact O-N 3.33Å
1146H62.6Low71.3Confident70 Ų7067 Ų6732%0.32434%0.339SS..  trans-135.2140.4-179.2-69-9.3000113.3V1144 L1148 K1153V1144-H1146 PolarHBondContact O-N 2.91Å; H1146-L1148 PolarHBondContact O-N 3.23Å; H1146-K1153 PolarHBondContact CD2-NZ 3Å; H1146-K1153 PolarHBondContact NE2-NZ 2.9Å
1147E69.8Low72.1Confident132 Ų13266.5 Ų66.562%0.61734%0.337SS*.SBendtrans-66.5-16.1174-67.7-168.9172.800114.8K1532E1147-K1532 IonicContact OE2-NZ 2.67Å; E1147-K1532 PolarHBondContact OE2-NZ 2.9Å
1148L75.5Confident72.9Confident11 Ų1166.4 Ų66.46%0.05834%0.336CS..SBendtrans-117.5131.1-168.6-127.271.1000110.5H1146 Q1152 I1156 I1531 T1549 L1553H1146-L1148 PolarHBondContact O-N 3.23Å; L1148-Q1152 HydrophobicContact CD2-CB 4.37Å; L1148-Q1152 HydrophobicContact CG-CB 4.15Å; L1148-I1156 HydrophobicContact CD2-CD1 3.57Å; L1148-I1531 HydrophobicContact CD1-CG2 4.32Å; L1148-T1549 HydrophobicContact CD1-CG2 4.28Å; L1148-L1553 HydrophobicContact CB-CD1 4.48Å; L1148-L1553 HydrophobicContact CD2-CD1 4.44Å
1149D73.4Confident73.9Confident80 Ų8064.2 Ų64.243%0.42833%0.325SS..  trans-58151.5179.5171.352.5000112.3N1151 Q1152 K1153D1149-N1151 VanDerWaalsContact C-N 3.28Å; D1149-N1151 PolarHBondContact O-N 3.22Å; D1149-N1151 WeakPolarHBondContact OD2-CB 3.18Å; D1149-N1151 PolarHBondContact OD2-N 3.04Å; D1149-N1151 PolarHBondContact OD2-ND2 3.18Å; D1149-Q1152 HydrophobicContact CB-CB 4.26Å; D1149-Q1152 HydrophobicContact CB-CG 4.06Å; D1149-Q1152 WeakPolarHBondContact O-CB 3.39Å; D1149-Q1152 PolarHBondContact O-N 3.46Å; D1149-Q1152 VanDerWaalsContact O-N 3.1Å; D1149-K1153 WeakPolarHBondContact O-CB 3.39Å; D1149-K1153 PolarHBondContact O-N 2.84Å
1150K74.6Confident74.9Confident51 Ų5164 Ų6422%0.22232%0.317CS..Hα-helixtrans-54.1-41.8178.3-168-178.7177.1-160.50111.8L1143 Q1154 D1439L1143-K1150 HydrophobicContact CD1-CB 4.46Å; L1143-K1150 HydrophobicContact CD1-CD 3.77Å; L1143-K1150 HydrophobicContact CD2-CB 4.18Å; L1143-K1150 HydrophobicContact CD2-CD 3.92Å; L1143-K1150 HydrophobicContact CD2-CG 4.03Å; K1150-Q1154 WeakPolarHBondContact O-CB 3.48Å; K1150-Q1154 VanDerWaalsContact O-CG 3.31Å; K1150-Q1154 WeakPolarHBondContact O-CG 3.17Å; K1150-Q1154 PolarHBondContact O-N 2.79Å; K1150-D1439 WeakPolarHBondContact CD-OD2 3.13Å; K1150-D1439 WeakPolarHBondContact CE-OD2 3.5Å; K1150-D1439 IonicContact NZ-OD1 3.43Å; K1150-D1439 PolarHBondContact NZ-OD1 2.9Å; K1150-D1439 IonicContact NZ-OD2 3.67Å; K1150-D1439 PolarHBondContact NZ-OD2 3.44Å
1151N76.4Confident75.9Confident38 Ų3862.3 Ų62.320%0.20331%0.312CS..Hα-helixtrans-69.9-43.4177.1-55.9-86.1000111.5D1149 K1153 Q1154 C1155D1149-N1151 VanDerWaalsContact C-N 3.28Å; D1149-N1151 PolarHBondContact O-N 3.22Å; D1149-N1151 WeakPolarHBondContact OD2-CB 3.18Å; D1149-N1151 PolarHBondContact OD2-N 3.04Å; D1149-N1151 PolarHBondContact OD2-ND2 3.18Å; N1151-K1153 VanDerWaalsContact C-N 3.34Å; N1151-K1153 PolarHBondContact O-N 2.93Å; N1151-Q1154 PolarHBondContact O-N 3.07Å; N1151-C1155 WeakPolarHBondContact O-CB 3.37Å; N1151-C1155 PolarHBondContact O-N 3.06Å
1152Q86.4Confident76.8Confident46 Ų4658.6 Ų58.622%0.21529%0.293CS..Hα-helixtrans-59.9-44.5176.2-67.9178.1-17.400111.4L1148 D1149 C1155 I1156 L1529 I1531L1148-Q1152 HydrophobicContact CD2-CB 4.37Å; L1148-Q1152 HydrophobicContact CG-CB 4.15Å; D1149-Q1152 HydrophobicContact CB-CB 4.26Å; D1149-Q1152 HydrophobicContact CB-CG 4.06Å; D1149-Q1152 WeakPolarHBondContact O-CB 3.39Å; D1149-Q1152 PolarHBondContact O-N 3.46Å; D1149-Q1152 VanDerWaalsContact O-N 3.1Å; Q1152-C1155 PolarHBondContact O-N 2.9Å; Q1152-I1156 WeakPolarHBondContact O-CB 3.2Å; Q1152-I1156 WeakPolarHBondContact O-CG1 3.35Å; Q1152-I1156 PolarHBondContact O-N 2.99Å; Q1152-L1529 HydrophobicContact CG-CD1 4.41Å; Q1152-L1529 PolarHBondContact NE2-O 3.11Å; Q1152-I1531 HydrophobicContact CB-CD1 3.99Å; Q1152-I1531 HydrophobicContact CB-CG1 4.44Å; Q1152-I1531 HydrophobicContact CG-CD1 4.03Å; Q1152-I1531 HydrophobicContact CG-CG1 4.03Å
1153K85.5Confident78.1Confident45 Ų4558.4 Ų58.420%0.19629%0.29CS..Hα-helixtrans-59.8-46.5175.2-173.4177.1176.7-177.40111.4H1146 D1149 N1151 E1157 W1554H1146-K1153 PolarHBondContact CD2-NZ 3Å; H1146-K1153 PolarHBondContact NE2-NZ 2.9Å; D1149-K1153 WeakPolarHBondContact O-CB 3.39Å; D1149-K1153 PolarHBondContact O-N 2.84Å; N1151-K1153 VanDerWaalsContact C-N 3.34Å; N1151-K1153 PolarHBondContact O-N 2.93Å; K1153-E1157 VanDerWaalsContact O-CB 3.29Å; K1153-E1157 WeakPolarHBondContact O-CB 3.17Å; K1153-E1157 PolarHBondContact O-N 3.1Å; K1153-W1554 HydrophobicContact CG-CH2 3.96Å; K1153-W1554 HydrophobicContact CG-CZ2 3.75Å; K1153-W1554 WeakPolarHBondContact O-CZ2 3.4Å
1154Q84.6Confident79.5Confident73 Ų7356.2 Ų56.234%0.34128%0.28SS..Hα-helixtrans-64.2-43.1176-74.1-1793800113.1K1150 N1151 E1157 F1158 D1439K1150-Q1154 WeakPolarHBondContact O-CB 3.48Å; K1150-Q1154 VanDerWaalsContact O-CG 3.31Å; K1150-Q1154 WeakPolarHBondContact O-CG 3.17Å; K1150-Q1154 PolarHBondContact O-N 2.79Å; N1151-Q1154 PolarHBondContact O-N 3.07Å; Q1154-E1157 PolarHBondContact O-N 3.25Å; Q1154-F1158 WeakPolarHBondContact O-CB 3.2Å; Q1154-F1158 PolarHBondContact O-N 3.4Å; Q1154-D1439 PolarHBondContact NE2-OD2 3.25Å
1155C88.8Confident80.6Confident0 Ų055.8 Ų55.80%027%0.274CS..Hα-helixtrans-69.4-40.2-179.5-76.30000112.8N1151 Q1152 F1158 A1159 G1449 S1450 L1453 V1525 L1529N1151-C1155 WeakPolarHBondContact O-CB 3.37Å; N1151-C1155 PolarHBondContact O-N 3.06Å; Q1152-C1155 PolarHBondContact O-N 2.9Å; C1155-F1158 PolarHBondContact O-N 3.33Å; C1155-A1159 PolarHBondContact O-N 2.89Å; C1155-G1449 VanDerWaalsContact SG-C 3.55Å; C1155-G1449 VanDerWaalsContact SG-CA 3.59Å; C1155-S1450 PolarHBondContact SG-N 3.43Å; C1155-S1450 VanDerWaalsContact SG-N 3.42Å; C1155-L1453 HydrophobicContact CB-CD1 4.34Å; C1155-V1525 HydrophobicContact CB-CG1 3.77Å; C1155-L1529 HydrophobicContact CB-CD1 3.83Å
1156I87.8Confident81.5Confident0 Ų052.5 Ų52.50%026%0.26CS..Hα-helixtrans-61.9-46.4171.7-71.4177000110.2L1148 Q1152 F1158 A1159 I1160 F1522 I1531 W1554L1148-I1156 HydrophobicContact CD2-CD1 3.57Å; Q1152-I1156 WeakPolarHBondContact O-CB 3.2Å; Q1152-I1156 WeakPolarHBondContact O-CG1 3.35Å; Q1152-I1156 PolarHBondContact O-N 2.99Å; I1156-F1158 VanDerWaalsContact C-N 3.34Å; I1156-F1158 PolarHBondContact O-N 2.81Å; I1156-A1159 WeakPolarHBondContact O-CB 3.49Å; I1156-A1159 PolarHBondContact O-N 3.47Å; I1156-A1159 VanDerWaalsContact O-N 3.17Å; I1156-I1160 HydrophobicContact CG2-CD1 3.64Å; I1156-I1160 HydrophobicContact CG2-CG1 4.26Å; I1156-I1160 VanDerWaalsContact O-CG1 3.29Å; I1156-I1160 WeakPolarHBondContact O-CG1 3.48Å; I1156-I1160 PolarHBondContact O-N 3.41Å; I1156-F1522 HydrophobicContact CD1-CE2 4.5Å; I1156-F1522 HydrophobicContact CG1-CE2 4.05Å; I1156-F1522 HydrophobicContact CG2-CE2 4.17Å; I1156-I1531 HydrophobicContact CD1-CD1 3.96Å; I1156-I1531 HydrophobicContact CD1-CG2 4.28Å; I1156-I1531 HydrophobicContact CG1-CD1 3.98Å; I1156-W1554 HydrophobicContact CB-CH2 3.99Å; I1156-W1554 HydrophobicContact CB-CZ3 4.38Å; I1156-W1554 HydrophobicContact CG2-CE3 4.37Å; I1156-W1554 HydrophobicContact CG2-CH2 3.62Å; I1156-W1554 HydrophobicContact CG2-CZ2 4.46Å; I1156-W1554 HydrophobicContact CG2-CZ3 3.57Å
1157E87.4Confident81.9Confident30 Ų3054.9 Ų54.914%0.1427%0.266CS..Hα-helixtrans-62.5-40.5179.1-174.8-179.7130.800112.7K1153 Q1154 A1159 I1160 N1161 W1554 R2159K1153-E1157 VanDerWaalsContact O-CB 3.29Å; K1153-E1157 WeakPolarHBondContact O-CB 3.17Å; K1153-E1157 PolarHBondContact O-N 3.1Å; Q1154-E1157 PolarHBondContact O-N 3.25Å; E1157-A1159 VanDerWaalsContact C-N 3.34Å; E1157-I1160 PolarHBondContact O-N 2.97Å; E1157-N1161 WeakPolarHBondContact CG-ND2 3.23Å; E1157-N1161 WeakPolarHBondContact O-CB 3.2Å; E1157-N1161 PolarHBondContact O-N 3.46Å; E1157-N1161 PolarHBondContact O-ND2 3.38Å; E1157-W1554 HydrophobicContact CB-CZ2 3.93Å; E1157-W1554 PolarHBondContact OE2-NE1 3.01Å; E1157-R2159 VanDerWaalsContact CD-CZ 3.43Å; E1157-R2159 IonicContact OE1-CZ 3.77Å; E1157-R2159 IonicContact OE1-NE 3.96Å; E1157-R2159 IonicContact OE1-NH1 3.7Å; E1157-R2159 PolarHBondContact OE1-NH1 2.67Å; E1157-R2159 VanDerWaalsContact OE1-NH1 3.13Å; E1157-R2159 IonicContact OE1-NH2 2.67Å; E1157-R2159 PolarHBondContact OE1-NH2 3.02Å; E1157-R2159 IonicContact OE2-CZ 2.68Å; E1157-R2159 IonicContact OE2-NH1 2.73Å; E1157-R2159 PolarHBondContact OE2-NH1 2.88Å; E1157-R2159 IonicContact OE2-NH2 3.13Å; E1157-R2159 PolarHBondContact OE2-NH2 2.99Å
1158F87.4Confident81.9Confident57 Ų5752.9 Ų52.925%0.2525%0.254CS..Hα-helixtrans-58.4-48.3173.2-173.2-80.3000110.3Q1154 C1155 I1156 I1160 N1161 S1162 L1453 I1457Q1154-F1158 WeakPolarHBondContact O-CB 3.2Å; Q1154-F1158 PolarHBondContact O-N 3.4Å; C1155-F1158 PolarHBondContact O-N 3.33Å; I1156-F1158 VanDerWaalsContact C-N 3.34Å; I1156-F1158 PolarHBondContact O-N 2.81Å; F1158-I1160 VanDerWaalsContact C-N 3.35Å; F1158-I1160 PolarHBondContact O-N 2.76Å; F1158-N1161 PolarHBondContact O-N 3.4Å; F1158-S1162 WeakPolarHBondContact O-CB 3.33Å; F1158-S1162 PolarHBondContact O-N 2.68Å; F1158-S1162 PolarHBondContact O-OG 3.05Å; F1158-L1453 HydrophobicContact CB-CD1 4.12Å; F1158-L1453 HydrophobicContact CD1-CB 3.49Å; F1158-L1453 VanDerWaalsContact CD1-CB 3.49Å; F1158-L1453 HydrophobicContact CD1-CD1 3.59Å; F1158-L1453 HydrophobicContact CD1-CG 4.18Å; F1158-L1453 HydrophobicContact CE1-CB 3.26Å; F1158-L1453 HydrophobicContact CE1-CD1 4.29Å; F1158-L1453 HydrophobicContact CE1-CG 4.41Å; F1158-L1453 HydrophobicContact CG-CB 4.28Å; F1158-L1453 HydrophobicContact CG-CD1 4.03Å; F1158-L1453 HydrophobicContact CZ-CB 3.89Å; F1158-I1457 HydrophobicContact CE1-CD1 3.75Å; F1158-I1457 HydrophobicContact CE1-CG1 4.34Å; F1158-I1457 HydrophobicContact CZ-CD1 3.72Å; F1158-I1457 HydrophobicContact CZ-CG1 4.49Å
1159A88.6Confident81.9Confident0 Ų056.5 Ų56.50%027%0.271CS..Hα-helixtrans-59-42.4176.400000112.5C1155 I1156 E1157 S1162 L1521 F1522C1155-A1159 PolarHBondContact O-N 2.89Å; I1156-A1159 WeakPolarHBondContact O-CB 3.49Å; I1156-A1159 PolarHBondContact O-N 3.47Å; I1156-A1159 VanDerWaalsContact O-N 3.17Å; E1157-A1159 VanDerWaalsContact C-N 3.34Å; A1159-S1162 PolarHBondContact O-OG 2.85Å; A1159-L1521 HydrophobicContact CB-CD2 4.31Å; A1159-L1521 HydrophobicContact CB-CG 4.17Å; A1159-F1522 HydrophobicContact CB-CD2 4.33Å
1160I85.9Confident82.1Confident25 Ų2553.7 Ų53.713%0.12826%0.257CS..Hα-helixtrans-61.1-42.8176.2-68.7168.1000112.2I1156 E1157 F1158 W1554 Q1557 L1565I1156-I1160 HydrophobicContact CG2-CD1 3.64Å; I1156-I1160 HydrophobicContact CG2-CG1 4.26Å; I1156-I1160 VanDerWaalsContact O-CG1 3.29Å; I1156-I1160 WeakPolarHBondContact O-CG1 3.48Å; I1156-I1160 PolarHBondContact O-N 3.41Å; E1157-I1160 PolarHBondContact O-N 2.97Å; F1158-I1160 VanDerWaalsContact C-N 3.35Å; F1158-I1160 PolarHBondContact O-N 2.76Å; I1160-W1554 HydrophobicContact CD1-CD2 4.13Å; I1160-W1554 HydrophobicContact CD1-CE3 4.11Å; I1160-W1554 HydrophobicContact CD1-CZ3 4.5Å; I1160-Q1557 HydrophobicContact CG2-CB 3.97Å; I1160-Q1557 HydrophobicContact CG2-CG 4.04Å; I1160-L1565 HydrophobicContact CD1-CD1 4.34Å; I1160-L1565 HydrophobicContact CG1-CD1 3.7Å; I1160-L1565 HydrophobicContact CG1-CD2 4.12Å
1161N86.3Confident81.9Confident92 Ų9256.6 Ų56.649%0.49228%0.284SS..Hα-helixtrans-87.5-25-173.8-72.7-33.8000113.7E1157 F1158E1157-N1161 WeakPolarHBondContact CG-ND2 3.23Å; E1157-N1161 WeakPolarHBondContact O-CB 3.2Å; E1157-N1161 PolarHBondContact O-N 3.46Å; E1157-N1161 PolarHBondContact O-ND2 3.38Å; F1158-N1161 PolarHBondContact O-N 3.4Å
1162S84.8Confident82Confident14 Ų1460.2 Ų60.210%0.09830%0.303CS..  trans-61.1150.4-175.965.80000113.7F1158 A1159 F1517 L1521F1158-S1162 WeakPolarHBondContact O-CB 3.33Å; F1158-S1162 PolarHBondContact O-N 2.68Å; F1158-S1162 PolarHBondContact O-OG 3.05Å; A1159-S1162 PolarHBondContact O-OG 2.85Å; S1162-F1517 WeakPolarHBondContact OG-CE1 3.28Å; S1162-L1521 WeakPolarHBondContact OG-CD2 3.49Å
1163K84.2Confident81.7Confident162 Ų16263.2 Ų63.270%0.70432%0.32SS*.  trans-146.8151.2176.2-64.6-176.2-176.8173.70110I1457K1163-I1457 WeakPolarHBondContact O-CG2 3.32Å
1164P85.7Confident81.2Confident28 Ų2865.9 Ų65.918%0.18235%0.35CS..PPolyproline II helixtrans-61.4140173.727.2-36.2000111.5A1467 F1517P1164-A1467 HydrophobicContact CB-CB 3.96Å; P1164-A1467 HydrophobicContact CG-CB 4.02Å; P1164-F1517 HydrophobicContact CB-CD2 4.37Å
1165L80.1Confident81.1Confident92 Ų9264.4 Ų64.448%0.48235%0.348SS..PPolyproline II helixtrans-86.2125.5-178.2-72165.9000111.7I1457 A1461L1165-I1457 HydrophobicContact CB-CG2 4.42Å; L1165-I1457 HydrophobicContact CD1-CB 4.47Å; L1165-I1457 HydrophobicContact CD1-CG2 3.74Å; L1165-I1457 HydrophobicContact CG-CG2 3.69Å; L1165-A1461 HydrophobicContact CB-CB 4.12Å
1166C75.1Confident80.9Confident56 Ų5669.3 Ų69.338%0.37838%0.378SS..PPolyproline II helixtrans-77.4127.3171.9-48.50000110.7Y1168 A1467C1166-Y1168 VanDerWaalsContact C-N 3.25Å; C1166-Y1168 HydrophobicContact CB-CD1 4.48Å; C1166-Y1168 HydrophobicContact CB-CE1 4.12Å; C1166-Y1168 PolarHBondContact O-N 3.15Å; C1166-A1467 HydrophobicContact CB-CB 4.4Å; C1166-A1467 VanDerWaalsContact SG-CB 3.52Å
1167R70.7Confident80.7Confident120 Ų12072.4 Ų72.445%0.45339%0.391SS..  trans-85.612.4176-63.5178.978.5161.65.9114.5M1169 A1461R1167-M1169 PolarHBondContact O-N 2.84Å; R1167-M1169 VanDerWaalsContact O-N 3.08Å; R1167-A1461 WeakPolarHBondContact CD-O 3.46Å; R1167-A1461 HydrophobicContact CG-CB 4.45Å
1168Y71.2Confident80.6Confident91 Ų9172.8 Ų72.836%0.35739%0.392SS..  trans48.532.4178.9-60.3-63.8000116.1C1166 W1181 R1264C1166-Y1168 VanDerWaalsContact C-N 3.25Å; C1166-Y1168 HydrophobicContact CB-CD1 4.48Å; C1166-Y1168 HydrophobicContact CB-CE1 4.12Å; C1166-Y1168 PolarHBondContact O-N 3.15Å; Y1168-W1181 PolarHBondContact O-NE1 3.27Å; Y1168-R1264 WeakPolarHBondContact OH-CD 3.12Å; Y1168-R1264 PolarHBondContact OH-NE 2.96Å
1169M75.4Confident80.6Confident87 Ų8778.7 Ų78.743%0.42941%0.413SS..  trans-59.4125.8174.9-174.5-176.3179.400110.7R1167 Y1178 W1181R1167-M1169 PolarHBondContact O-N 2.84Å; R1167-M1169 VanDerWaalsContact O-N 3.08Å; M1169-Y1178 HydrophobicContact CE-CE2 3.65Å; M1169-Y1178 HydrophobicContact CG-CE2 4.26Å; M1169-W1181 HydrophobicContact CB-CH2 4.03Å; M1169-W1181 HydrophobicContact CB-CZ2 3.86Å; M1169-W1181 HydrophobicContact CG-CH2 3.93Å; M1169-W1181 HydrophobicContact CG-CZ2 4.22Å; M1169-W1181 HydrophobicContact CG-CZ3 4.19Å
1170P76.7Confident80.7Confident20 Ų2080.8 Ų80.813%0.1342%0.423CS..  trans-73.2131.3176.729.2-33.3000110.5N1172 K1177 Y1178 W1181P1170-N1172 PolarHBondContact O-N 3.29Å; P1170-K1177 HydrophobicContact CB-CD 4.19Å; P1170-K1177 HydrophobicContact CB-CG 4.12Å; P1170-K1177 HydrophobicContact CG-CG 4.27Å; P1170-Y1178 HydrophobicContact CG-CD2 3.96Å; P1170-W1181 HydrophobicContact CG-CB 4.1Å; P1170-W1181 HydrophobicContact CG-CG 4.17Å
1171S71.9Confident80.8Confident112 Ų11281 Ų8178%0.78342%0.422SS*.SBendtrans-60.6-37.7-17250.40000114.7I1173S1171-I1173 PolarHBondContact O-N 3.15Å; S1171-I1173 VanDerWaalsContact O-N 3.13Å
1172N78.2Confident80.9Confident115 Ų11583 Ų8362%0.61542%0.423SS*.  trans-83.491.4-178.7-74.4-11.9000111.1P1170 A1174 S1175P1170-N1172 PolarHBondContact O-N 3.29Å; N1172-A1174 PolarHBondContact O-N 2.91Å; N1172-A1174 VanDerWaalsContact O-N 3.15Å; N1172-S1175 WeakPolarHBondContact O-CB 3.42Å; N1172-S1175 PolarHBondContact O-N 3.39Å
1173I79.5Confident81.1Confident109 Ų10986.5 Ų86.556%0.55944%0.44SS*.THydrogen-bonded Turntrans-52.6-33175.4-63.3173.3000112.2S1171 S1175 Y1178S1171-I1173 PolarHBondContact O-N 3.15Å; S1171-I1173 VanDerWaalsContact O-N 3.13Å; I1173-S1175 VanDerWaalsContact C-N 3.29Å; I1173-S1175 PolarHBondContact O-N 2.94Å; I1173-Y1178 HydrophobicContact CB-CD1 4.28Å; I1173-Y1178 HydrophobicContact CB-CE1 4.44Å; I1173-Y1178 HydrophobicContact CG2-CD1 3.9Å; I1173-Y1178 HydrophobicContact CG2-CE1 3.8Å; I1173-Y1178 VanDerWaalsContact O-CD1 3.25Å; I1173-Y1178 WeakPolarHBondContact O-CD1 3.47Å
1174A75.7Confident81.3Confident101 Ų10179.1 Ų79.184%0.83541%0.409SS*.THydrogen-bonded Turntrans-73.8-13177.100000114.5N1172N1172-A1174 PolarHBondContact O-N 2.91Å; N1172-A1174 VanDerWaalsContact O-N 3.15Å
1175S82.1Confident81.3Confident42 Ų4280.7 Ų80.729%0.29442%0.418SS..SBendtrans-74.7146.6-175.6-175.10000112.7N1172 I1173 K1177 Y1178 R1179N1172-S1175 WeakPolarHBondContact O-CB 3.42Å; N1172-S1175 PolarHBondContact O-N 3.39Å; I1173-S1175 VanDerWaalsContact C-N 3.29Å; I1173-S1175 PolarHBondContact O-N 2.94Å; S1175-K1177 PolarHBondContact O-N 3.03Å; S1175-K1177 PolarHBondContact OG-N 3.13Å; S1175-K1177 VanDerWaalsContact OG-N 3.16Å; S1175-Y1178 PolarHBondContact O-N 2.9Å; S1175-R1179 PolarHBondContact O-N 2.8Å
1176T83.5Confident81.7Confident102 Ų10278.2 Ų78.263%0.62641%0.408SS*.Hα-helixtrans-51.9-33.5164.548.90000112Y1178 R1179 I1180T1176-Y1178 VanDerWaalsContact C-N 3.32Å; T1176-Y1178 PolarHBondContact O-N 2.65Å; T1176-R1179 WeakPolarHBondContact O-CB 3.35Å; T1176-R1179 PolarHBondContact O-N 3.35Å; T1176-R1179 VanDerWaalsContact O-N 3.1Å; T1176-I1180 WeakPolarHBondContact O-CG1 3.24Å; T1176-I1180 PolarHBondContact O-N 2.88Å
1177K85.3Confident82.2Confident66 Ų6679.2 Ų79.229%0.28742%0.415SS..Hα-helixtrans-58.6-39.1174.7-172.5170.3-176.41770112.7P1170 S1175 W1181 I1255 A1256 F1257P1170-K1177 HydrophobicContact CB-CD 4.19Å; P1170-K1177 HydrophobicContact CB-CG 4.12Å; P1170-K1177 HydrophobicContact CG-CG 4.27Å; S1175-K1177 PolarHBondContact O-N 3.03Å; S1175-K1177 PolarHBondContact OG-N 3.13Å; S1175-K1177 VanDerWaalsContact OG-N 3.16Å; K1177-W1181 WeakPolarHBondContact O-CB 3.35Å; K1177-W1181 PolarHBondContact O-N 3.17Å; K1177-I1255 WeakPolarHBondContact CE-O 3.37Å; K1177-A1256 WeakPolarHBondContact CE-O 3.05Å; K1177-F1257 PolarHBondContact NZ-O 3.29Å
1178Y85.1Confident83.2Confident38 Ų3878 Ų7815%0.14942%0.423CS..Hα-helixtrans-70.7-32.7176.2-177.6-118.8000112.4M1169 P1170 I1173 S1175 T1176 W1181 R1182M1169-Y1178 HydrophobicContact CE-CE2 3.65Å; M1169-Y1178 HydrophobicContact CG-CE2 4.26Å; P1170-Y1178 HydrophobicContact CG-CD2 3.96Å; I1173-Y1178 HydrophobicContact CB-CD1 4.28Å; I1173-Y1178 HydrophobicContact CB-CE1 4.44Å; I1173-Y1178 HydrophobicContact CG2-CD1 3.9Å; I1173-Y1178 HydrophobicContact CG2-CE1 3.8Å; I1173-Y1178 VanDerWaalsContact O-CD1 3.25Å; I1173-Y1178 WeakPolarHBondContact O-CD1 3.47Å; S1175-Y1178 PolarHBondContact O-N 2.9Å; T1176-Y1178 VanDerWaalsContact C-N 3.32Å; T1176-Y1178 PolarHBondContact O-N 2.65Å; Y1178-W1181 AromaticContact CD2-CE3 3.75Å; Y1178-W1181 HydrophobicContact CD2-CE3 3.75Å; Y1178-W1181 HydrophobicContact CD2-CZ3 4.16Å; Y1178-W1181 AromaticContact CE2-CE3 3.62Å; Y1178-W1181 HydrophobicContact CE2-CE3 3.62Å; Y1178-W1181 AromaticContact CE2-CZ3 3.56Å; Y1178-W1181 HydrophobicContact CE2-CZ3 3.56Å; Y1178-R1182 VanDerWaalsContact CD1-NH2 3.35Å; Y1178-R1182 VanDerWaalsContact O-CB 3.25Å; Y1178-R1182 WeakPolarHBondContact O-CB 3.38Å; Y1178-R1182 PolarHBondContact O-N 2.72Å
1179R87.7Confident84Confident181 Ų18175 Ų7568%0.68341%0.412SS*.Hα-helixtrans-65.4-47.1173.6-62-173.6179.5-164.1-0.9111.4S1175 T1176 R1182 L1183S1175-R1179 PolarHBondContact O-N 2.8Å; T1176-R1179 WeakPolarHBondContact O-CB 3.35Å; T1176-R1179 PolarHBondContact O-N 3.35Å; T1176-R1179 VanDerWaalsContact O-N 3.1Å; R1179-R1182 PolarHBondContact O-N 2.99Å; R1179-L1183 PolarHBondContact O-N 3.1Å
1180I89.4Confident84.5Confident44 Ų4476.2 Ų76.223%0.22642%0.417CS..Hα-helixtrans-68.1-44.2179.5-60.7168.2000110.8T1176 R1182 L1183 V1184 L1252 I1255 A1256T1176-I1180 WeakPolarHBondContact O-CG1 3.24Å; T1176-I1180 PolarHBondContact O-N 2.88Å; I1180-R1182 VanDerWaalsContact C-N 3.33Å; I1180-R1182 PolarHBondContact O-N 3.12Å; I1180-L1183 PolarHBondContact O-N 2.96Å; I1180-V1184 HydrophobicContact CG2-CG2 4.25Å; I1180-V1184 WeakPolarHBondContact O-CB 3.33Å; I1180-V1184 WeakPolarHBondContact O-CG2 3.39Å; I1180-V1184 PolarHBondContact O-N 3.04Å; I1180-L1252 HydrophobicContact CG2-CD2 4.21Å; I1180-I1255 HydrophobicContact CD1-CG2 3.59Å; I1180-A1256 HydrophobicContact CG2-CB 4.19Å
1181W89Confident85.1Confident28 Ų2882.6 Ų82.611%0.10644%0.439CS..Hα-helixtrans-56.9-44.3174.2175.891.2000112.3Y1168 M1169 P1170 K1177 Y1178 L1183 V1184 V1185 A1256 F1257Y1168-W1181 PolarHBondContact O-NE1 3.27Å; M1169-W1181 HydrophobicContact CB-CH2 4.03Å; M1169-W1181 HydrophobicContact CB-CZ2 3.86Å; M1169-W1181 HydrophobicContact CG-CH2 3.93Å; M1169-W1181 HydrophobicContact CG-CZ2 4.22Å; M1169-W1181 HydrophobicContact CG-CZ3 4.19Å; P1170-W1181 HydrophobicContact CG-CB 4.1Å; P1170-W1181 HydrophobicContact CG-CG 4.17Å; K1177-W1181 WeakPolarHBondContact O-CB 3.35Å; K1177-W1181 PolarHBondContact O-N 3.17Å; Y1178-W1181 AromaticContact CD2-CE3 3.75Å; Y1178-W1181 HydrophobicContact CD2-CE3 3.75Å; Y1178-W1181 HydrophobicContact CD2-CZ3 4.16Å; Y1178-W1181 AromaticContact CE2-CE3 3.62Å; Y1178-W1181 HydrophobicContact CE2-CE3 3.62Å; Y1178-W1181 AromaticContact CE2-CZ3 3.56Å; Y1178-W1181 HydrophobicContact CE2-CZ3 3.56Å; W1181-L1183 VanDerWaalsContact C-N 3.32Å; W1181-L1183 PolarHBondContact O-N 3.32Å; W1181-V1184 PolarHBondContact O-N 3.32Å; W1181-V1185 HydrophobicContact CD2-CG2 4.35Å; W1181-V1185 HydrophobicContact CG-CG2 4.42Å; W1181-V1185 WeakPolarHBondContact O-CB 3.42Å; W1181-V1185 VanDerWaalsContact O-CG2 3.32Å; W1181-V1185 WeakPolarHBondContact O-CG2 3.46Å; W1181-V1185 PolarHBondContact O-N 3.22Å; W1181-A1256 HydrophobicContact CB-CB 4.25Å; W1181-F1257 AromaticContact CD1-CD1 3.87Å; W1181-F1257 AromaticContact CD1-CE1 3.66Å; W1181-F1257 AromaticContact NE1-CE1 3.66Å
1182R87.9Confident86Confident135 Ų13582.5 Ų82.551%0.50942%0.423SS..Hα-helixtrans-64-35.5178.4-165.1-164.4-44.6177.47.6112.7Y1178 R1179 I1180 S1186Y1178-R1182 VanDerWaalsContact CD1-NH2 3.35Å; Y1178-R1182 VanDerWaalsContact O-CB 3.25Å; Y1178-R1182 WeakPolarHBondContact O-CB 3.38Å; Y1178-R1182 PolarHBondContact O-N 2.72Å; R1179-R1182 PolarHBondContact O-N 2.99Å; I1180-R1182 VanDerWaalsContact C-N 3.33Å; I1180-R1182 PolarHBondContact O-N 3.12Å; R1182-S1186 WeakPolarHBondContact O-CB 3.44Å; R1182-S1186 PolarHBondContact O-N 2.81Å
1183L89.2Confident86.5Confident87 Ų8777.7 Ų77.746%0.45540%0.397SS..Hα-helixtrans-69-49.8174.3-179.3151.1000110.8R1179 I1180 W1181 V1185 S1186 F1189R1179-L1183 PolarHBondContact O-N 3.1Å; I1180-L1183 PolarHBondContact O-N 2.96Å; W1181-L1183 VanDerWaalsContact C-N 3.32Å; W1181-L1183 PolarHBondContact O-N 3.32Å; L1183-V1185 VanDerWaalsContact C-N 3.28Å; L1183-V1185 PolarHBondContact O-N 2.76Å; L1183-S1186 WeakPolarHBondContact O-CB 3.48Å; L1183-S1186 PolarHBondContact O-N 3.04Å; L1183-S1186 VanDerWaalsContact O-N 3.11Å; L1183-S1186 PolarHBondContact O-OG 2.84Å; L1183-F1189 HydrophobicContact CD2-CD2 3.65Å; L1183-F1189 HydrophobicContact CD2-CE2 3.93Å; L1183-F1189 HydrophobicContact CD2-CG 4.23Å; L1183-F1189 VanDerWaalsContact O-CB 3.22Å; L1183-F1189 WeakPolarHBondContact O-CB 3.38Å
1184V88.9Confident86.7Confident7 Ų775.7 Ų75.74%0.04239%0.386CS..Hα-helixtrans-64.1-29.9-178.1166.30000113.1I1180 W1181 F1189 L1252 K1253 A1256 F1257I1180-V1184 HydrophobicContact CG2-CG2 4.25Å; I1180-V1184 WeakPolarHBondContact O-CB 3.33Å; I1180-V1184 WeakPolarHBondContact O-CG2 3.39Å; I1180-V1184 PolarHBondContact O-N 3.04Å; W1181-V1184 PolarHBondContact O-N 3.32Å; V1184-F1189 HydrophobicContact CG1-CE1 4.45Å; V1184-F1189 HydrophobicContact CG2-CE1 4.35Å; V1184-F1189 HydrophobicContact CG2-CZ 4.49Å; V1184-F1189 WeakPolarHBondContact O-CD1 3.42Å; V1184-L1252 HydrophobicContact CG2-CB 3.99Å; V1184-K1253 HydrophobicContact CG1-CB 4.38Å; V1184-K1253 HydrophobicContact CG1-CG 3.71Å; V1184-A1256 HydrophobicContact CB-CB 4.08Å; V1184-A1256 HydrophobicContact CG1-CB 4.16Å; V1184-A1256 HydrophobicContact CG2-CB 4.08Å; V1184-F1257 HydrophobicContact CG1-CE2 3.75Å; V1184-F1257 HydrophobicContact CG1-CZ 4.18Å
1185V84.7Confident87.2Confident62 Ų6274.5 Ų74.538%0.37637%0.368SS..THydrogen-bonded Turntrans-95.55.8178.7-179.20000111.9W1181 L1183 F1257W1181-V1185 HydrophobicContact CD2-CG2 4.35Å; W1181-V1185 HydrophobicContact CG-CG2 4.42Å; W1181-V1185 WeakPolarHBondContact O-CB 3.42Å; W1181-V1185 VanDerWaalsContact O-CG2 3.32Å; W1181-V1185 WeakPolarHBondContact O-CG2 3.46Å; W1181-V1185 PolarHBondContact O-N 3.22Å; L1183-V1185 VanDerWaalsContact C-N 3.28Å; L1183-V1185 PolarHBondContact O-N 2.76Å; V1185-F1257 HydrophobicContact CG2-CE1 4.05Å; V1185-F1257 HydrophobicContact CG2-CZ 3.73Å
1186S88.1Confident87.5Confident39 Ų3973.8 Ų73.827%0.27336%0.36SS..SBendtrans-82.9137.4177.173.80000112R1182 L1183 P1188 F1189 E1190R1182-S1186 WeakPolarHBondContact O-CB 3.44Å; R1182-S1186 PolarHBondContact O-N 2.81Å; L1183-S1186 WeakPolarHBondContact O-CB 3.48Å; L1183-S1186 PolarHBondContact O-N 3.04Å; L1183-S1186 VanDerWaalsContact O-N 3.11Å; L1183-S1186 PolarHBondContact O-OG 2.84Å; S1186-P1188 VanDerWaalsContact C-CD 3.46Å; S1186-P1188 VanDerWaalsContact C-N 3.33Å; S1186-F1189 WeakPolarHBondContact O-CB 3.31Å; S1186-F1189 PolarHBondContact O-N 3.15Å; S1186-E1190 PolarHBondContact O-N 3.35Å
1187S86.8Confident87.7Confident77 Ų7769.1 Ų69.154%0.53833%0.332SS..Hα-helixtrans-54.2-39.8177.9-35.90000113.8F1189 E1190 Y1191S1187-F1189 VanDerWaalsContact C-N 3.27Å; S1187-F1189 PolarHBondContact O-N 3.06Å; S1187-E1190 PolarHBondContact O-N 3.31Å; S1187-Y1191 VanDerWaalsContact O-CD2 3.24Å; S1187-Y1191 WeakPolarHBondContact O-CD2 3.43Å; S1187-Y1191 PolarHBondContact O-N 2.72Å
1188P90Very high87.8Confident95 Ų9567.8 Ų67.862%0.61733%0.333SS*.Hα-helixtrans-60.3-31.6174.3-26.136.7000114.1S1186 Y1192S1186-P1188 VanDerWaalsContact C-CD 3.46Å; S1186-P1188 VanDerWaalsContact C-N 3.33Å; P1188-Y1192 VanDerWaalsContact O-CB 3.24Å; P1188-Y1192 WeakPolarHBondContact O-CB 3.45Å; P1188-Y1192 PolarHBondContact O-N 3Å
1189F89.9Confident88Confident27 Ų2769.6 Ų69.612%0.11835%0.345CS..Hα-helixtrans-72.4-40.1175-177.5-97.9000111.7L1183 V1184 S1186 S1187 Y1192 I1193 E1249 L1252L1183-F1189 HydrophobicContact CD2-CD2 3.65Å; L1183-F1189 HydrophobicContact CD2-CE2 3.93Å; L1183-F1189 HydrophobicContact CD2-CG 4.23Å; L1183-F1189 VanDerWaalsContact O-CB 3.22Å; L1183-F1189 WeakPolarHBondContact O-CB 3.38Å; V1184-F1189 HydrophobicContact CG1-CE1 4.45Å; V1184-F1189 HydrophobicContact CG2-CE1 4.35Å; V1184-F1189 HydrophobicContact CG2-CZ 4.49Å; V1184-F1189 WeakPolarHBondContact O-CD1 3.42Å; S1186-F1189 WeakPolarHBondContact O-CB 3.31Å; S1186-F1189 PolarHBondContact O-N 3.15Å; S1187-F1189 VanDerWaalsContact C-N 3.27Å; S1187-F1189 PolarHBondContact O-N 3.06Å; F1189-Y1192 PolarHBondContact O-N 3.45Å; F1189-I1193 HydrophobicContact CD1-CG1 4.43Å; F1189-I1193 HydrophobicContact CE1-CG1 4.07Å; F1189-I1193 HydrophobicContact CE2-CG1 4.48Å; F1189-I1193 HydrophobicContact CZ-CD1 4.31Å; F1189-I1193 HydrophobicContact CZ-CG1 4.1Å; F1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; F1189-I1193 PolarHBondContact O-N 2.71Å; F1189-E1249 HydrophobicContact CZ-CG 4.35Å; F1189-L1252 HydrophobicContact CE2-CD1 4.26Å; F1189-L1252 HydrophobicContact CZ-CD1 4.45Å
1190E85.3Confident88Confident114 Ų11461 Ų6153%0.53331%0.312SS..Hα-helixtrans-65.1-42.1174.3-64.2-154.5127.800111.9S1186 S1187 I1193 M1194 R1311S1186-E1190 PolarHBondContact O-N 3.35Å; S1187-E1190 PolarHBondContact O-N 3.31Å; E1190-I1193 PolarHBondContact O-N 3.45Å; E1190-M1194 WeakPolarHBondContact O-CB 3.49Å; E1190-M1194 PolarHBondContact O-N 3Å; E1190-R1311 IonicContact OE1-NH2 2.77Å
1191Y88.2Confident87.8Confident153 Ų15359.1 Ų59.160%0.630%0.303SS*.Hα-helixtrans-65.9-37.2173.9-74.6-54.9000113.1S1187 M1194 T1195S1187-Y1191 VanDerWaalsContact O-CD2 3.24Å; S1187-Y1191 WeakPolarHBondContact O-CD2 3.43Å; S1187-Y1191 PolarHBondContact O-N 2.72Å; Y1191-M1194 HydrophobicContact CD1-SD 4.07Å; Y1191-M1194 HydrophobicContact CE1-SD 4.46Å; Y1191-M1194 PolarHBondContact O-N 3.11Å; Y1191-T1195 WeakPolarHBondContact O-CB 3.49Å; Y1191-T1195 PolarHBondContact O-N 2.97Å; Y1191-T1195 PolarHBondContact O-OG1 3.24Å
1192Y90.7Very high87.8Confident110 Ų11062.6 Ų62.643%0.43132%0.323SS..Hα-helixtrans-60-51.9173.5176-97.4000111.2P1188 F1189 M1194 T1195 M1196 M1245P1188-Y1192 VanDerWaalsContact O-CB 3.24Å; P1188-Y1192 WeakPolarHBondContact O-CB 3.45Å; P1188-Y1192 PolarHBondContact O-N 3Å; F1189-Y1192 PolarHBondContact O-N 3.45Å; Y1192-M1194 PolarHBondContact O-N 3.08Å; Y1192-T1195 WeakPolarHBondContact O-CB 3.37Å; Y1192-T1195 PolarHBondContact O-N 3.07Å; Y1192-T1195 VanDerWaalsContact O-N 3.16Å; Y1192-M1196 HydrophobicContact CD1-CG 4.22Å; Y1192-M1196 HydrophobicContact CD2-CE 4.42Å; Y1192-M1196 HydrophobicContact CE1-CG 3.78Å; Y1192-M1196 HydrophobicContact CE2-CE 4.01Å; Y1192-M1196 HydrophobicContact CE2-CG 4.27Å; Y1192-M1196 HydrophobicContact CE2-SD 4.26Å; Y1192-M1196 WeakPolarHBondContact O-CG 3.35Å; Y1192-M1196 PolarHBondContact O-N 3.22Å; Y1192-M1245 PolarHBondContact OH-SD 2.99Å; Y1192-M1245 VanDerWaalsContact OH-SD 3.34Å
1193I88.7Confident87.8Confident14 Ų1456.7 Ų56.77%0.07230%0.302CS..Hα-helixtrans-61.3-43.2177.8-68.6-57.3000111.5F1189 E1190 T1195 M1196 I1197 E1249F1189-I1193 HydrophobicContact CD1-CG1 4.43Å; F1189-I1193 HydrophobicContact CE1-CG1 4.07Å; F1189-I1193 HydrophobicContact CE2-CG1 4.48Å; F1189-I1193 HydrophobicContact CZ-CD1 4.31Å; F1189-I1193 HydrophobicContact CZ-CG1 4.1Å; F1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; F1189-I1193 PolarHBondContact O-N 2.71Å; E1190-I1193 PolarHBondContact O-N 3.45Å; I1193-T1195 VanDerWaalsContact C-N 3.3Å; I1193-T1195 PolarHBondContact O-N 3.47Å; I1193-M1196 PolarHBondContact O-N 2.84Å; I1193-I1197 HydrophobicContact CG2-CD1 3.72Å; I1193-I1197 HydrophobicContact CG2-CG1 4.43Å; I1193-I1197 WeakPolarHBondContact O-CD1 3.39Å; I1193-I1197 VanDerWaalsContact O-CG1 3.26Å; I1193-I1197 WeakPolarHBondContact O-CG1 3.46Å; I1193-I1197 PolarHBondContact O-N 3.25Å; I1193-E1249 HydrophobicContact CD1-CB 3.86Å; I1193-E1249 HydrophobicContact CD1-CG 3.68Å; I1193-E1249 HydrophobicContact CG1-CG 4.05Å; I1193-E1249 VanDerWaalsContact CG2-OE1 3.27Å; I1193-E1249 WeakPolarHBondContact CG2-OE1 3.36Å
1194M84.1Confident87.7Confident68 Ų6853 Ų5334%0.33528%0.283SS..Hα-helixtrans-54-46.5173.1165.5172.1178.700111.9E1190 Y1191 Y1192 I1197 A1198 Q1312E1190-M1194 WeakPolarHBondContact O-CB 3.49Å; E1190-M1194 PolarHBondContact O-N 3Å; Y1191-M1194 HydrophobicContact CD1-SD 4.07Å; Y1191-M1194 HydrophobicContact CE1-SD 4.46Å; Y1191-M1194 PolarHBondContact O-N 3.11Å; Y1192-M1194 PolarHBondContact O-N 3.08Å; M1194-I1197 PolarHBondContact O-N 3.09Å; M1194-A1198 PolarHBondContact O-N 3.11Å; M1194-Q1312 HydrophobicContact CE-CG 4.35Å; M1194-Q1312 VanDerWaalsContact CG-NE2 3.28Å; M1194-Q1312 HydrophobicContact SD-CG 3.98Å; M1194-Q1312 PolarHBondContact SD-NE2 3.5Å; M1194-Q1312 VanDerWaalsContact SD-NE2 3.38Å
1195T87.7Confident87.6Confident75 Ų7554.5 Ų54.546%0.4629%0.289SS..Hα-helixtrans-64.7-42.2178.2-53.50000111.4Y1191 Y1192 I1193 I1197 A1198 L1199Y1191-T1195 WeakPolarHBondContact O-CB 3.49Å; Y1191-T1195 PolarHBondContact O-N 2.97Å; Y1191-T1195 PolarHBondContact O-OG1 3.24Å; Y1192-T1195 WeakPolarHBondContact O-CB 3.37Å; Y1192-T1195 PolarHBondContact O-N 3.07Å; Y1192-T1195 VanDerWaalsContact O-N 3.16Å; I1193-T1195 VanDerWaalsContact C-N 3.3Å; I1193-T1195 PolarHBondContact O-N 3.47Å; T1195-I1197 VanDerWaalsContact C-N 3.34Å; T1195-I1197 PolarHBondContact O-N 2.69Å; T1195-A1198 PolarHBondContact O-N 3.24Å; T1195-L1199 WeakPolarHBondContact O-CB 3.33Å; T1195-L1199 PolarHBondContact O-N 2.87Å
1196M88.3Confident87.9Confident27 Ų2756 Ų5613%0.13329%0.293CS..Hα-helixtrans-65-35176.5-65.2-55.3102.900112.7Y1192 I1193 N1200 F1242 M1245 F1246Y1192-M1196 HydrophobicContact CD1-CG 4.22Å; Y1192-M1196 HydrophobicContact CD2-CE 4.42Å; Y1192-M1196 HydrophobicContact CE1-CG 3.78Å; Y1192-M1196 HydrophobicContact CE2-CE 4.01Å; Y1192-M1196 HydrophobicContact CE2-CG 4.27Å; Y1192-M1196 HydrophobicContact CE2-SD 4.26Å; Y1192-M1196 WeakPolarHBondContact O-CG 3.35Å; Y1192-M1196 PolarHBondContact O-N 3.22Å; I1193-M1196 PolarHBondContact O-N 2.84Å; M1196-N1200 WeakPolarHBondContact O-CB 3.17Å; M1196-N1200 PolarHBondContact O-N 2.97Å; M1196-F1242 HydrophobicContact SD-CE1 3.96Å; M1196-M1245 HydrophobicContact CG-CE 4.27Å; M1196-M1245 HydrophobicContact SD-CE 3.55Å; M1196-M1245 VanDerWaalsContact SD-CE 3.55Å; M1196-M1245 HydrophobicContact SD-SD 4.31Å; M1196-F1246 HydrophobicContact CB-CE1 4.18Å; M1196-F1246 HydrophobicContact CB-CZ 4.27Å
1197I87.8Confident87.9Confident5 Ų556.9 Ų56.93%0.02629%0.292CS..Hα-helixtrans-67.4-48.7174.3-64.1154.3000110.2I1193 M1194 T1195 L1199 N1200 T1201 F1246 K1308 L1309I1193-I1197 HydrophobicContact CG2-CD1 3.72Å; I1193-I1197 HydrophobicContact CG2-CG1 4.43Å; I1193-I1197 WeakPolarHBondContact O-CD1 3.39Å; I1193-I1197 VanDerWaalsContact O-CG1 3.26Å; I1193-I1197 WeakPolarHBondContact O-CG1 3.46Å; I1193-I1197 PolarHBondContact O-N 3.25Å; M1194-I1197 PolarHBondContact O-N 3.09Å; T1195-I1197 VanDerWaalsContact C-N 3.34Å; T1195-I1197 PolarHBondContact O-N 2.69Å; I1197-L1199 VanDerWaalsContact C-N 3.33Å; I1197-L1199 PolarHBondContact O-N 2.99Å; I1197-N1200 WeakPolarHBondContact O-CB 3.48Å; I1197-N1200 PolarHBondContact O-N 2.67Å; I1197-T1201 WeakPolarHBondContact O-CG2 3.2Å; I1197-T1201 PolarHBondContact O-N 3.07Å; I1197-T1201 PolarHBondContact O-OG1 3.08Å; I1197-F1246 HydrophobicContact CG1-CE1 3.77Å; I1197-F1246 HydrophobicContact CG1-CZ 3.84Å; I1197-K1308 HydrophobicContact CD1-CB 3.82Å; I1197-K1308 HydrophobicContact CD1-CD 3.4Å; I1197-K1308 VanDerWaalsContact CD1-CD 3.4Å; I1197-K1308 HydrophobicContact CD1-CG 4.27Å; I1197-K1308 HydrophobicContact CG1-CD 4.03Å; I1197-L1309 HydrophobicContact CB-CD2 4.19Å; I1197-L1309 HydrophobicContact CG2-CD1 4.41Å; I1197-L1309 HydrophobicContact CG2-CD2 3.76Å; I1197-L1309 HydrophobicContact CG2-CG 3.87Å
1198A86Confident88Confident38 Ų3857.7 Ų57.731%0.31428%0.284SS..Hα-helixtrans-57.7-46.4178.100000111.5M1194 T1195 T1201 L1202M1194-A1198 PolarHBondContact O-N 3.11Å; T1195-A1198 PolarHBondContact O-N 3.24Å; A1198-T1201 WeakPolarHBondContact CA-OG1 3.42Å; A1198-T1201 PolarHBondContact O-N 2.81Å; A1198-T1201 VanDerWaalsContact O-N 3.09Å; A1198-T1201 PolarHBondContact O-OG1 3.23Å; A1198-L1202 PolarHBondContact O-N 3.08Å
1199L89.9Confident87.8Confident75 Ų7556.2 Ų56.239%0.39327%0.267SS..Hα-helixtrans-68.8-39.8-179.5-161.7153.3000112.2T1195 I1197 T1201 L1202 I1203 F1242T1195-L1199 WeakPolarHBondContact O-CB 3.33Å; T1195-L1199 PolarHBondContact O-N 2.87Å; I1197-L1199 VanDerWaalsContact C-N 3.33Å; I1197-L1199 PolarHBondContact O-N 2.99Å; L1199-T1201 PolarHBondContact O-N 3.1Å; L1199-L1202 PolarHBondContact O-N 3.33Å; L1199-I1203 HydrophobicContact CD2-CD1 3.63Å; L1199-I1203 HydrophobicContact CD2-CG1 4.46Å; L1199-I1203 WeakPolarHBondContact O-CG1 3.29Å; L1199-I1203 PolarHBondContact O-N 3.2Å; L1199-I1203 VanDerWaalsContact O-N 3.1Å; L1199-F1242 HydrophobicContact CD2-CE1 4.07Å; L1199-F1242 HydrophobicContact CD2-CE2 4.09Å; L1199-F1242 HydrophobicContact CD2-CZ 3.43Å; L1199-F1242 VanDerWaalsContact CD2-CZ 3.43Å
1200N87.7Confident87.3Confident0 Ų057.3 Ų57.30%027%0.27CS..Hα-helixtrans-55.7-41167.7178.4120.3000111.3M1196 I1197 I1203 L1204 F1242 F1246 R1305M1196-N1200 WeakPolarHBondContact O-CB 3.17Å; M1196-N1200 PolarHBondContact O-N 2.97Å; I1197-N1200 WeakPolarHBondContact O-CB 3.48Å; I1197-N1200 PolarHBondContact O-N 2.67Å; N1200-I1203 PolarHBondContact O-N 3.13Å; N1200-L1204 PolarHBondContact O-N 3.25Å; N1200-L1204 VanDerWaalsContact O-N 3.15Å; N1200-F1242 HydrophobicContact CB-CB 4.31Å; N1200-F1242 HydrophobicContact CB-CD1 4.22Å; N1200-F1242 HydrophobicContact CB-CD2 4.43Å; N1200-F1242 HydrophobicContact CB-CG 4.01Å; N1200-F1242 VanDerWaalsContact OD1-CB 3.27Å; N1200-F1242 WeakPolarHBondContact OD1-CB 3.41Å; N1200-F1246 HydrophobicContact CB-CE2 4.34Å; N1200-F1246 HydrophobicContact CB-CZ 4.47Å; N1200-R1305 PolarHBondContact OD1-NH1 3.07Å
1201T85.9Confident86.4Confident6 Ų654.6 Ų54.64%0.03726%0.263CS..Hα-helixtrans-74.5-32.1-177.355.10000112.8I1197 A1198 L1199 I1203 L1204 M1205 L1306I1197-T1201 WeakPolarHBondContact O-CG2 3.2Å; I1197-T1201 PolarHBondContact O-N 3.07Å; I1197-T1201 PolarHBondContact O-OG1 3.08Å; A1198-T1201 WeakPolarHBondContact CA-OG1 3.42Å; A1198-T1201 PolarHBondContact O-N 2.81Å; A1198-T1201 VanDerWaalsContact O-N 3.09Å; A1198-T1201 PolarHBondContact O-OG1 3.23Å; L1199-T1201 PolarHBondContact O-N 3.1Å; T1201-I1203 VanDerWaalsContact C-N 3.32Å; T1201-I1203 PolarHBondContact O-N 2.99Å; T1201-L1204 PolarHBondContact O-N 2.83Å; T1201-M1205 VanDerWaalsContact O-CG 3.31Å; T1201-M1205 WeakPolarHBondContact O-CG 3.38Å; T1201-M1205 PolarHBondContact O-N 3.09Å; T1201-M1205 VanDerWaalsContact O-N 3.14Å; T1201-L1306 HydrophobicContact CG2-CB 3.83Å; T1201-L1306 HydrophobicContact CG2-CD1 3.53Å; T1201-L1306 HydrophobicContact CG2-CG 4.26Å
1202L88Confident85.1Confident101 Ų10151.4 Ų51.453%0.52926%0.256SS..Hα-helixtrans-61-40.9167.4-67.6172.9000111.4A1198 L1199 L1204 M1205 M1206A1198-L1202 PolarHBondContact O-N 3.08Å; L1199-L1202 PolarHBondContact O-N 3.33Å; L1202-L1204 VanDerWaalsContact C-N 3.3Å; L1202-L1204 PolarHBondContact O-N 2.97Å; L1202-M1205 HydrophobicContact CD2-SD 4.09Å; L1202-M1205 WeakPolarHBondContact O-CB 3.34Å; L1202-M1205 PolarHBondContact O-N 2.74Å; L1202-M1205 VanDerWaalsContact O-N 3.1Å; L1202-M1206 WeakPolarHBondContact O-CG 3.18Å; L1202-M1206 PolarHBondContact O-N 3.36Å
1203I88.8Confident83.4Confident11 Ų1153.2 Ų53.26%0.05626%0.263CS..Hα-helixtrans-64.3-32.9177.2-71.9166.1000112.3L1199 N1200 T1201 M1206 L1235 L1238 F1242L1199-I1203 HydrophobicContact CD2-CD1 3.63Å; L1199-I1203 HydrophobicContact CD2-CG1 4.46Å; L1199-I1203 WeakPolarHBondContact O-CG1 3.29Å; L1199-I1203 PolarHBondContact O-N 3.2Å; L1199-I1203 VanDerWaalsContact O-N 3.1Å; N1200-I1203 PolarHBondContact O-N 3.13Å; T1201-I1203 VanDerWaalsContact C-N 3.32Å; T1201-I1203 PolarHBondContact O-N 2.99Å; I1203-M1206 PolarHBondContact O-N 2.94Å; I1203-L1235 HydrophobicContact CG2-CD2 3.94Å; I1203-L1238 HydrophobicContact CD1-CB 4.17Å; I1203-L1238 HydrophobicContact CD1-CD1 4.13Å; I1203-L1238 HydrophobicContact CG2-CB 4.36Å; I1203-F1242 HydrophobicContact CD1-CD2 4.03Å; I1203-F1242 HydrophobicContact CD1-CE2 3.33Å; I1203-F1242 HydrophobicContact CD1-CZ 4.04Å
1204L85.7Confident81.5Confident10 Ų1057.6 Ų57.65%0.05229%0.29CS..Hα-helixtrans-69.5-36.3171.6-66174.4000112.2I241 N1200 T1201 L1202 M1206 R1302I241-L1204 HydrophobicContact CG2-CB 4.1Å; I241-L1204 HydrophobicContact CG2-CD1 4.31Å; N1200-L1204 PolarHBondContact O-N 3.25Å; N1200-L1204 VanDerWaalsContact O-N 3.15Å; T1201-L1204 PolarHBondContact O-N 2.83Å; L1202-L1204 VanDerWaalsContact C-N 3.3Å; L1202-L1204 PolarHBondContact O-N 2.97Å; L1204-M1206 VanDerWaalsContact C-N 3.3Å; L1204-M1206 PolarHBondContact O-N 3.35Å; L1204-R1302 HydrophobicContact CD2-CB 4.41Å
1205M88.2Confident79.7Confident37 Ų3759.7 Ų59.718%0.18230%0.303CS..Hα-helixtrans-71.1-22.9175.1-61.3165.1-161.900113.4L237 I241 I315 T1201 L1202 K1207L237-M1205 HydrophobicContact CD1-CE 3.7Å; L237-M1205 HydrophobicContact CD2-CE 3.77Å; L237-M1205 HydrophobicContact CG-CE 3.89Å; I241-M1205 HydrophobicContact CD1-CE 3.94Å; I241-M1205 HydrophobicContact CD1-CG 3.96Å; I241-M1205 HydrophobicContact CG1-CG 4.21Å; I315-M1205 HydrophobicContact CB-CB 4.2Å; I315-M1205 HydrophobicContact CD1-CG 4.11Å; I315-M1205 HydrophobicContact CG1-CB 4.02Å; I315-M1205 HydrophobicContact CG1-CG 3.96Å; I315-M1205 HydrophobicContact CG2-CB 4.28Å; T1201-M1205 VanDerWaalsContact O-CG 3.31Å; T1201-M1205 WeakPolarHBondContact O-CG 3.38Å; T1201-M1205 PolarHBondContact O-N 3.09Å; T1201-M1205 VanDerWaalsContact O-N 3.14Å; L1202-M1205 HydrophobicContact CD2-SD 4.09Å; L1202-M1205 WeakPolarHBondContact O-CB 3.34Å; L1202-M1205 PolarHBondContact O-N 2.74Å; L1202-M1205 VanDerWaalsContact O-N 3.1Å; M1205-K1207 PolarHBondContact O-N 3.17Å
1206M89.7Confident77.9Confident93 Ų9361 Ų6146%0.45832%0.322SS..THydrogen-bonded Turntrans-74.7-9.4-180-81178.368.800114L1202 I1203 L1204 Y1231 L1235L1202-M1206 WeakPolarHBondContact O-CG 3.18Å; L1202-M1206 PolarHBondContact O-N 3.36Å; I1203-M1206 PolarHBondContact O-N 2.94Å; L1204-M1206 VanDerWaalsContact C-N 3.3Å; L1204-M1206 PolarHBondContact O-N 3.35Å; M1206-Y1231 HydrophobicContact CE-CE2 4.31Å; M1206-Y1231 PolarHBondContact O-OH 3.41Å; M1206-L1235 HydrophobicContact CB-CD2 4.17Å
1207K88.5Confident75.9Confident58 Ų5867.8 Ų67.825%0.25236%0.359SS..  trans-64.6133.1171.2-175.4-177.5177.4-165.80109.6L244 E245 M1205L244-K1207 HydrophobicContact CD2-CB 4.22Å; L244-K1207 HydrophobicContact CG-CB 4.32Å; L244-K1207 HydrophobicContact CG-CD 4.29Å; L244-K1207 HydrophobicContact CG-CG 4.48Å; L244-K1207 WeakPolarHBondContact O-CE 3.21Å; L244-K1207 PolarHBondContact O-NZ 2.93Å; E245-K1207 IonicContact OE2-NZ 3.77Å; E245-K1207 PolarHBondContact OE2-NZ 3.45Å; M1205-K1207 PolarHBondContact O-N 3.17Å
1208Y89.4Confident74Confident95 Ų9573.2 Ų73.237%0.37339%0.385SS..  trans-142.6156.517170.2-84.4000110.1D313 R1210 Y1228 Y1231D313-Y1208 CarbonylContact O-C 3.19Å; D313-Y1208 WeakPolarHBondContact O-CA 3.49Å; Y1208-R1210 HydrophobicContact CE2-CB 4.43Å; Y1208-Y1228 HydrophobicContact CE2-CD2 4.09Å; Y1208-Y1228 HydrophobicContact CE2-CE2 4.13Å; Y1208-Y1228 AromaticContact CZ-CD2 3.96Å; Y1208-Y1228 WeakPolarHBondContact O-CE2 3.39Å; Y1208-Y1228 PolarHBondContact O-OH 3.32Å; Y1208-Y1231 AromaticContact CD1-CE1 3.76Å; Y1208-Y1231 HydrophobicContact CD1-CE1 3.76Å; Y1208-Y1231 AromaticContact CE1-CD1 3.83Å; Y1208-Y1231 HydrophobicContact CE1-CD1 3.83Å; Y1208-Y1231 AromaticContact CE1-CE1 3.35Å; Y1208-Y1231 HydrophobicContact CE1-CE1 3.35Å; Y1208-Y1231 AromaticContact CE1-CZ 3.85Å
1209Y85.2Confident72.4Confident63 Ų6375.7 Ų75.725%0.24741%0.414CS..  trans-87144.2172.9173.1-102.4000111.5H252 D313 P1211H252-Y1209 HydrophobicContact CB-CE1 4.49Å; H252-Y1209 AromaticContact CD2-CD1 3.47Å; H252-Y1209 VanDerWaalsContact CD2-CD1 3.47Å; H252-Y1209 WeakPolarHBondContact CD2-CD1 3.46Å; H252-Y1209 AromaticContact CD2-CE1 3.09Å; H252-Y1209 WeakPolarHBondContact CD2-CE1 3.3Å; H252-Y1209 AromaticContact CD2-CZ 3.83Å; H252-Y1209 AromaticContact CG-CE1 3.93Å; H252-Y1209 AromaticContact NE2-CD1 3.55Å; H252-Y1209 AromaticContact NE2-CE1 3.57Å; D313-Y1209 PolarHBondContact O-N 2.88Å; Y1209-P1211 HydrophobicContact CE1-CB 4.44Å; Y1209-P1211 HydrophobicContact CE1-CG 4.03Å
1210R79.6Confident70.8Confident50 Ų5077.9 Ų77.919%0.18943%0.425CS..  trans-127137.9169.2178.2-174.9168.788.96.2108.3Y1208 D1212 D1222 E1224 T1225 Y1228Y1208-R1210 HydrophobicContact CE2-CB 4.43Å; R1210-D1212 PolarHBondContact O-N 3.38Å; R1210-D1222 IonicContact NH2-OD2 2.7Å; R1210-D1222 PolarHBondContact NH2-OD2 3.21Å; R1210-E1224 VanDerWaalsContact CZ-CB 3.47Å; R1210-E1224 IonicContact CZ-OE2 2.86Å; R1210-E1224 VanDerWaalsContact CZ-OE2 3.28Å; R1210-E1224 IonicContact NH1-OE2 3.7Å; R1210-E1224 PolarHBondContact NH1-OE2 2.94Å; R1210-E1224 IonicContact NH2-OE2 3.36Å; R1210-E1224 PolarHBondContact NH2-OE2 3.34Å; R1210-T1225 PolarHBondContact NE-OG1 3.13Å; R1210-Y1228 HydrophobicContact CB-CD1 4.06Å; R1210-Y1228 HydrophobicContact CB-CD2 3.85Å; R1210-Y1228 HydrophobicContact CB-CE1 4.02Å; R1210-Y1228 HydrophobicContact CB-CE2 3.82Å; R1210-Y1228 HydrophobicContact CB-CG 3.97Å
1211P66.8Low69.4Low58 Ų5882.4 Ų82.438%0.37746%0.455SS..  trans-66.3123169.7-18.331.2000111.5Y1209 Y1213Y1209-P1211 HydrophobicContact CE1-CB 4.44Å; Y1209-P1211 HydrophobicContact CE1-CG 4.03Å; P1211-Y1213 HydrophobicContact CB-CD2 4.19Å; P1211-Y1213 HydrophobicContact CB-CE2 3.84Å; P1211-Y1213 HydrophobicContact CG-CE2 4.41Å; P1211-Y1213 WeakPolarHBondContact O-CD2 3.45Å; P1211-Y1213 PolarHBondContact O-N 3.39Å
1212D61.3Low68.5Low85 Ų8584.4 Ų84.446%0.45547%0.465SS..  trans-7993.3173.3-69.1-42.7000109.8R1210 T1214R1210-D1212 PolarHBondContact O-N 3.38Å; D1212-T1214 PolarHBondContact O-N 2.58Å; D1212-T1214 PolarHBondContact O-OG1 2.89Å
1213Y53.8Low67.7Low148 Ų14888 Ų8858%0.5847%0.472SS*.  trans-70.971.1176.5-78.7-86.1000111.8Y301 P1211 D1215Y301-Y1213 HydrophobicContact CD1-CE1 4.39Å; Y301-Y1213 HydrophobicContact CE1-CD1 4.08Å; Y301-Y1213 HydrophobicContact CE1-CE1 4.11Å; P1211-Y1213 HydrophobicContact CB-CD2 4.19Å; P1211-Y1213 HydrophobicContact CB-CE2 3.84Å; P1211-Y1213 HydrophobicContact CG-CE2 4.41Å; P1211-Y1213 WeakPolarHBondContact O-CD2 3.45Å; P1211-Y1213 PolarHBondContact O-N 3.39Å; Y1213-D1215 PolarHBondContact O-N 2.83Å
1214T49.4Very low66.8Low106 Ų10690.9 Ų90.965%0.6549%0.485SS*.  trans-86.990.1173.843.40000110.3D1212 A1216D1212-T1214 PolarHBondContact O-N 2.58Å; D1212-T1214 PolarHBondContact O-OG1 2.89Å; T1214-A1216 PolarHBondContact O-N 3.1Å; T1214-A1216 VanDerWaalsContact O-N 3.08Å
1215D45.6Very low66.2Low113 Ų11391.3 Ų91.360%0.60449%0.488SS*.  trans-60.8110.8165-95.3-28.3000109Y1213 N1217 M1218Y1213-D1215 PolarHBondContact O-N 2.83Å; D1215-N1217 PolarHBondContact O-N 3.44Å; D1215-M1218 HydrophobicContact CB-CB 4.3Å; D1215-M1218 CarbonylContact O-C 3.48Å; D1215-M1218 PolarHBondContact O-N 3.38Å
1216A49.3Very low65.6Low103 Ų10395.6 Ų95.685%0.85151%0.507SS*.THydrogen-bonded Turntrans-59.5-14.6-17500000114.2T1214T1214-A1216 PolarHBondContact O-N 3.1Å; T1214-A1216 VanDerWaalsContact O-N 3.08Å
1217N48.2Very low65.2Low169 Ų16997.8 Ų97.890%0.90451%0.514SS*.THydrogen-bonded Turntrans-94.3-4.8177.5-62.5-35.4000113.8D1215D1215-N1217 PolarHBondContact O-N 3.44Å
1218M46.6Very low64.9Low119 Ų11996.6 Ų96.659%0.58651%0.509SS*.  trans-142.386.1-172.3-174.6155.2156.900110.8D1215 I1220D1215-M1218 HydrophobicContact CB-CB 4.3Å; D1215-M1218 CarbonylContact O-C 3.48Å; D1215-M1218 PolarHBondContact O-N 3.38Å; M1218-I1220 HydrophobicContact CE-CD1 4.31Å; M1218-I1220 HydrophobicContact CG-CB 4.49Å; M1218-I1220 HydrophobicContact CG-CG1 4.5Å; M1218-I1220 PolarHBondContact O-N 2.91Å
1219G53.6Low64.5Low90 Ų9097.9 Ų97.993%0.92852%0.518SS*.  trans-7146.1-178.700000115.5
1220I55Low64.5Low120 Ų12098 Ų9862%0.61553%0.528SS*.  trans-121.4115.8176.6-57.5177.2000106.8M1218M1218-I1220 HydrophobicContact CE-CD1 4.31Å; M1218-I1220 HydrophobicContact CG-CB 4.49Å; M1218-I1220 HydrophobicContact CG-CG1 4.5Å; M1218-I1220 PolarHBondContact O-N 2.91Å
1221P59.4Low65Low96 Ų9698.8 Ų98.862%0.62353%0.532SS*.  trans-65.3137.7176.528-34000110.1
1222D66.3Low65.8Low47 Ų4797.8 Ų97.825%0.25153%0.526SS..  trans-67.4152.2175.566.9-75.4000111.5R1210 E1224 T1225 Q1226R1210-D1222 IonicContact NH2-OD2 2.7Å; R1210-D1222 PolarHBondContact NH2-OD2 3.21Å; D1222-E1224 PolarHBondContact O-N 2.95Å; D1222-E1224 VanDerWaalsContact O-N 3.15Å; D1222-E1224 WeakPolarHBondContact OD2-CB 3.44Å; D1222-E1224 PolarHBondContact OD2-N 3.06Å; D1222-T1225 PolarHBondContact O-N 3.16Å; D1222-T1225 VanDerWaalsContact O-N 3.16Å; D1222-T1225 WeakPolarHBondContact OD1-CB 3.41Å; D1222-T1225 PolarHBondContact OD1-OG1 2.99Å; D1222-T1225 PolarHBondContact OD2-N 3.47Å; D1222-T1225 PolarHBondContact OD2-OG1 3.29Å; D1222-T1225 VanDerWaalsContact OD2-OG1 3.13Å; D1222-Q1226 PolarHBondContact O-N 2.97Å
1223W71.7Confident67Low176 Ų17696 Ų9667%0.66752%0.52SS*.Hα-helixtrans-62.2-23.8-175.170.1-84.7000113.2K1227W1223-K1227 PolarHBondContact O-N 2.93Å
1224E70.5Confident68.7Low73 Ų7392.5 Ų92.534%0.34151%0.514SS..Hα-helixtrans-82.8-38.1176-65.3-161.1151.500112.5R1210 D1222 Q1226 K1227 Y1228R1210-E1224 VanDerWaalsContact CZ-CB 3.47Å; R1210-E1224 IonicContact CZ-OE2 2.86Å; R1210-E1224 VanDerWaalsContact CZ-OE2 3.28Å; R1210-E1224 IonicContact NH1-OE2 3.7Å; R1210-E1224 PolarHBondContact NH1-OE2 2.94Å; R1210-E1224 IonicContact NH2-OE2 3.36Å; R1210-E1224 PolarHBondContact NH2-OE2 3.34Å; D1222-E1224 PolarHBondContact O-N 2.95Å; D1222-E1224 VanDerWaalsContact O-N 3.15Å; D1222-E1224 WeakPolarHBondContact OD2-CB 3.44Å; D1222-E1224 PolarHBondContact OD2-N 3.06Å; E1224-Q1226 VanDerWaalsContact C-N 3.32Å; E1224-K1227 CarbonylContact O-C 3.5Å; E1224-K1227 WeakPolarHBondContact O-CA 3.34Å; E1224-K1227 WeakPolarHBondContact O-CB 2.87Å; E1224-K1227 PolarHBondContact O-N 3.26Å; E1224-K1227 VanDerWaalsContact O-N 3.11Å; E1224-Y1228 PolarHBondContact O-N 3.17Å
1225T71.7Confident70.5Confident19 Ų1988.2 Ų88.212%0.11749%0.487CS..Hα-helixtrans-64.9-36.5171-61.70000111R1210 D1222 K1227 Y1228 Q1229R1210-T1225 PolarHBondContact NE-OG1 3.13Å; D1222-T1225 PolarHBondContact O-N 3.16Å; D1222-T1225 VanDerWaalsContact O-N 3.16Å; D1222-T1225 WeakPolarHBondContact OD1-CB 3.41Å; D1222-T1225 PolarHBondContact OD1-OG1 2.99Å; D1222-T1225 PolarHBondContact OD2-N 3.47Å; D1222-T1225 PolarHBondContact OD2-OG1 3.29Å; D1222-T1225 VanDerWaalsContact OD2-OG1 3.13Å; T1225-K1227 VanDerWaalsContact C-N 3.29Å; T1225-K1227 PolarHBondContact O-N 2.99Å; T1225-Y1228 PolarHBondContact O-N 3.17Å; T1225-Q1229 WeakPolarHBondContact O-CB 3.5Å; T1225-Q1229 PolarHBondContact O-N 3.07Å
1226Q76.5Confident72.2Confident126 Ų12686.4 Ų86.459%0.58948%0.48SS*.Hα-helixtrans-60-39169.5-169.9-177.214.400112.2D1222 E1224 S1230D1222-Q1226 PolarHBondContact O-N 2.97Å; E1224-Q1226 VanDerWaalsContact C-N 3.32Å; Q1226-S1230 WeakPolarHBondContact O-CB 3.24Å; Q1226-S1230 PolarHBondContact O-N 3.09Å; Q1226-S1230 PolarHBondContact O-OG 3.2Å
1227K81.9Confident74.1Confident139 Ų13989.8 Ų89.860%0.60447%0.472SS*.Hα-helixtrans-69.3-38175.7178.8-173.4174.8-169.40112.1W1223 E1224 T1225 S1230 Y1231W1223-K1227 PolarHBondContact O-N 2.93Å; E1224-K1227 CarbonylContact O-C 3.5Å; E1224-K1227 WeakPolarHBondContact O-CA 3.34Å; E1224-K1227 WeakPolarHBondContact O-CB 2.87Å; E1224-K1227 PolarHBondContact O-N 3.26Å; E1224-K1227 VanDerWaalsContact O-N 3.11Å; T1225-K1227 VanDerWaalsContact C-N 3.29Å; T1225-K1227 PolarHBondContact O-N 2.99Å; K1227-S1230 PolarHBondContact O-N 3.18Å; K1227-Y1231 WeakPolarHBondContact O-CB 3.05Å; K1227-Y1231 PolarHBondContact O-N 2.72Å
1228Y81.7Confident76.1Confident34 Ų3485 Ų8513%0.13345%0.446CS..Hα-helixtrans-66.9-44.9173.8172.6-109.7000111.9Y1208 R1210 E1224 T1225 S1230 Y1231 C1232Y1208-Y1228 HydrophobicContact CE2-CD2 4.09Å; Y1208-Y1228 HydrophobicContact CE2-CE2 4.13Å; Y1208-Y1228 AromaticContact CZ-CD2 3.96Å; Y1208-Y1228 WeakPolarHBondContact O-CE2 3.39Å; Y1208-Y1228 PolarHBondContact O-OH 3.32Å; R1210-Y1228 HydrophobicContact CB-CD1 4.06Å; R1210-Y1228 HydrophobicContact CB-CD2 3.85Å; R1210-Y1228 HydrophobicContact CB-CE1 4.02Å; R1210-Y1228 HydrophobicContact CB-CE2 3.82Å; R1210-Y1228 HydrophobicContact CB-CG 3.97Å; E1224-Y1228 PolarHBondContact O-N 3.17Å; T1225-Y1228 PolarHBondContact O-N 3.17Å; Y1228-S1230 VanDerWaalsContact C-N 3.28Å; Y1228-S1230 PolarHBondContact O-N 3.09Å; Y1228-Y1231 WeakPolarHBondContact O-CA 3.46Å; Y1228-Y1231 WeakPolarHBondContact O-CB 3.41Å; Y1228-Y1231 PolarHBondContact O-N 2.91Å; Y1228-C1232 PolarHBondContact O-N 2.71Å; Y1228-C1232 PolarHBondContact O-SG 3.13Å
1229Q80.4Confident77.9Confident122 Ų12280.1 Ų80.157%0.5742%0.422SS*.Hα-helixtrans-57.8-42.7173.2-168.172-18.500111.3T1225 Y1231 C1232 S1233T1225-Q1229 WeakPolarHBondContact O-CB 3.5Å; T1225-Q1229 PolarHBondContact O-N 3.07Å; Q1229-Y1231 VanDerWaalsContact C-N 3.33Å; Q1229-Y1231 PolarHBondContact O-N 3.48Å; Q1229-C1232 PolarHBondContact O-N 3.02Å; Q1229-S1233 PolarHBondContact O-N 3.03Å; Q1229-S1233 PolarHBondContact O-OG 3.37Å
1230S85.8Confident79.4Confident66 Ų6678.4 Ų78.446%0.46239%0.394SS..Hα-helixtrans-63.7-36.7175-570000112.7Q1226 K1227 Y1228 T1234Q1226-S1230 WeakPolarHBondContact O-CB 3.24Å; Q1226-S1230 PolarHBondContact O-N 3.09Å; Q1226-S1230 PolarHBondContact O-OG 3.2Å; K1227-S1230 PolarHBondContact O-N 3.18Å; Y1228-S1230 VanDerWaalsContact C-N 3.28Å; Y1228-S1230 PolarHBondContact O-N 3.09Å; S1230-T1234 WeakPolarHBondContact O-CB 3.21Å; S1230-T1234 PolarHBondContact O-N 3.23Å; S1230-T1234 PolarHBondContact O-OG1 2.98Å
1231Y88.7Confident81.1Confident66 Ų6675 Ų7526%0.25938%0.383SS..Hα-helixtrans-67.3-46.1175.1177.5-98.3000111.8M1206 Y1208 K1227 Y1228 Q1229 T1234 L1235M1206-Y1231 HydrophobicContact CE-CE2 4.31Å; M1206-Y1231 PolarHBondContact O-OH 3.41Å; Y1208-Y1231 AromaticContact CD1-CE1 3.76Å; Y1208-Y1231 HydrophobicContact CD1-CE1 3.76Å; Y1208-Y1231 AromaticContact CE1-CD1 3.83Å; Y1208-Y1231 HydrophobicContact CE1-CD1 3.83Å; Y1208-Y1231 AromaticContact CE1-CE1 3.35Å; Y1208-Y1231 HydrophobicContact CE1-CE1 3.35Å; Y1208-Y1231 AromaticContact CE1-CZ 3.85Å; K1227-Y1231 WeakPolarHBondContact O-CB 3.05Å; K1227-Y1231 PolarHBondContact O-N 2.72Å; Y1228-Y1231 WeakPolarHBondContact O-CA 3.46Å; Y1228-Y1231 WeakPolarHBondContact O-CB 3.41Å; Y1228-Y1231 PolarHBondContact O-N 2.91Å; Q1229-Y1231 VanDerWaalsContact C-N 3.33Å; Q1229-Y1231 PolarHBondContact O-N 3.48Å; Y1231-T1234 WeakPolarHBondContact O-CA 3.5Å; Y1231-T1234 WeakPolarHBondContact O-CB 3.33Å; Y1231-T1234 PolarHBondContact O-N 2.69Å; Y1231-T1234 VanDerWaalsContact O-N 3.1Å; Y1231-L1235 HydrophobicContact CD1-CD1 4.05Å; Y1231-L1235 HydrophobicContact CD1-CG 4.48Å; Y1231-L1235 HydrophobicContact CE1-CD1 3.55Å; Y1231-L1235 HydrophobicContact CE1-CG 4.18Å; Y1231-L1235 PolarHBondContact O-N 3.16Å
1232C84.8Confident82.6Confident37 Ų3771.1 Ų71.125%0.2536%0.357CS..Hα-helixtrans-60.2-46.4175.6-70.90000112Y1228 Q1229 T1234 L1235 V1236Y1228-C1232 PolarHBondContact O-N 2.71Å; Y1228-C1232 PolarHBondContact O-SG 3.13Å; Q1229-C1232 PolarHBondContact O-N 3.02Å; C1232-T1234 VanDerWaalsContact C-N 3.28Å; C1232-T1234 PolarHBondContact O-N 2.95Å; C1232-L1235 PolarHBondContact O-N 2.99Å; C1232-V1236 WeakPolarHBondContact O-CG2 3.32Å; C1232-V1236 PolarHBondContact O-N 3.42Å
1233S85.7Confident83.6Confident48 Ų4869.4 Ų69.434%0.33635%0.348SS..Hα-helixtrans-59-38.7172.5-63.30000112.3Q1229 V1236 Y1237Q1229-S1233 PolarHBondContact O-N 3.03Å; Q1229-S1233 PolarHBondContact O-OG 3.37Å; S1233-V1236 PolarHBondContact O-N 2.87Å; S1233-Y1237 WeakPolarHBondContact O-CD2 3.44Å; S1233-Y1237 PolarHBondContact O-N 2.97Å
1234T89.5Confident84.5Confident73 Ų7363.5 Ų63.545%0.44834%0.337SS..Hα-helixtrans-63.5-43175.6-580000111.8S1230 Y1231 C1232 V1236 Y1237 L1238S1230-T1234 WeakPolarHBondContact O-CB 3.21Å; S1230-T1234 PolarHBondContact O-N 3.23Å; S1230-T1234 PolarHBondContact O-OG1 2.98Å; Y1231-T1234 WeakPolarHBondContact O-CA 3.5Å; Y1231-T1234 WeakPolarHBondContact O-CB 3.33Å; Y1231-T1234 PolarHBondContact O-N 2.69Å; Y1231-T1234 VanDerWaalsContact O-N 3.1Å; C1232-T1234 VanDerWaalsContact C-N 3.28Å; C1232-T1234 PolarHBondContact O-N 2.95Å; T1234-V1236 VanDerWaalsContact C-N 3.32Å; T1234-V1236 PolarHBondContact O-N 3.4Å; T1234-Y1237 PolarHBondContact O-N 3.23Å; T1234-L1238 HydrophobicContact CG2-CD1 4.16Å; T1234-L1238 WeakPolarHBondContact O-CB 3.46Å; T1234-L1238 VanDerWaalsContact O-CG 3.29Å; T1234-L1238 WeakPolarHBondContact O-CG 3.41Å; T1234-L1238 PolarHBondContact O-N 3.45Å
1235L87.1Confident85.4Confident16 Ų1662.9 Ų62.98%0.08434%0.335CS..Hα-helixtrans-61.9-37.9173.8-67.7176.9000112I1203 M1206 Y1231 C1232 N1239I1203-L1235 HydrophobicContact CG2-CD2 3.94Å; M1206-L1235 HydrophobicContact CB-CD2 4.17Å; Y1231-L1235 HydrophobicContact CD1-CD1 4.05Å; Y1231-L1235 HydrophobicContact CD1-CG 4.48Å; Y1231-L1235 HydrophobicContact CE1-CD1 3.55Å; Y1231-L1235 HydrophobicContact CE1-CG 4.18Å; Y1231-L1235 PolarHBondContact O-N 3.16Å; C1232-L1235 PolarHBondContact O-N 2.99Å; L1235-N1239 WeakPolarHBondContact O-CB 3.38Å; L1235-N1239 PolarHBondContact O-N 3.44Å; L1235-N1239 PolarHBondContact O-ND2 3.01Å
1236V82.3Confident86.3Confident76 Ų7662 Ų6246%0.46133%0.33SS..Hα-helixtrans-65.4-50.3175.4173.40000111.1C1232 S1233 T1234 L1238 N1239 T1240C1232-V1236 WeakPolarHBondContact O-CG2 3.32Å; C1232-V1236 PolarHBondContact O-N 3.42Å; S1233-V1236 PolarHBondContact O-N 2.87Å; T1234-V1236 VanDerWaalsContact C-N 3.32Å; T1234-V1236 PolarHBondContact O-N 3.4Å; V1236-L1238 VanDerWaalsContact C-N 3.3Å; V1236-L1238 PolarHBondContact O-N 3.31Å; V1236-N1239 PolarHBondContact O-N 3.05Å; V1236-N1239 VanDerWaalsContact O-N 3.16Å; V1236-T1240 PolarHBondContact O-N 3.39Å; V1236-T1240 PolarHBondContact O-OG1 2.75Å
1237Y88.7Confident87Confident173 Ų17357.6 Ų57.668%0.67831%0.311SS*.Hα-helixtrans-59.1-39.9177.9-65.3-46.5000112.5S1233 T1234 T1240 A1241S1233-Y1237 WeakPolarHBondContact O-CD2 3.44Å; S1233-Y1237 PolarHBondContact O-N 2.97Å; T1234-Y1237 PolarHBondContact O-N 3.23Å; Y1237-T1240 PolarHBondContact O-N 3.05Å; Y1237-A1241 PolarHBondContact O-N 3.18Å
1238L89.8Confident87.5Confident69 Ų6956.8 Ų56.836%0.36131%0.311SS..Hα-helixtrans-63.1-49.5173.8-72.9170.9000111.7I1203 T1234 V1236 T1240 A1241 F1242I1203-L1238 HydrophobicContact CD1-CB 4.17Å; I1203-L1238 HydrophobicContact CD1-CD1 4.13Å; I1203-L1238 HydrophobicContact CG2-CB 4.36Å; T1234-L1238 HydrophobicContact CG2-CD1 4.16Å; T1234-L1238 WeakPolarHBondContact O-CB 3.46Å; T1234-L1238 VanDerWaalsContact O-CG 3.29Å; T1234-L1238 WeakPolarHBondContact O-CG 3.41Å; T1234-L1238 PolarHBondContact O-N 3.45Å; V1236-L1238 VanDerWaalsContact C-N 3.3Å; V1236-L1238 PolarHBondContact O-N 3.31Å; L1238-T1240 VanDerWaalsContact C-N 3.27Å; L1238-T1240 PolarHBondContact O-N 2.94Å; L1238-A1241 WeakPolarHBondContact O-CA 3.5Å; L1238-A1241 WeakPolarHBondContact O-CB 3.39Å; L1238-A1241 PolarHBondContact O-N 3.16Å; L1238-F1242 HydrophobicContact CB-CE2 4.37Å; L1238-F1242 WeakPolarHBondContact O-CD2 3.46Å; L1238-F1242 PolarHBondContact O-N 3.49Å
1239N84.9Confident87.9Confident17 Ų1755.6 Ų55.69%0.09131%0.307CS..Hα-helixtrans-59-37.6177.5-83.2-63.6000112.6L1235 V1236 F1242 T1243L1235-N1239 WeakPolarHBondContact O-CB 3.38Å; L1235-N1239 PolarHBondContact O-N 3.44Å; L1235-N1239 PolarHBondContact O-ND2 3.01Å; V1236-N1239 PolarHBondContact O-N 3.05Å; V1236-N1239 VanDerWaalsContact O-N 3.16Å; N1239-F1242 PolarHBondContact O-N 3.35Å; N1239-T1243 WeakPolarHBondContact O-CB 3.38Å; N1239-T1243 PolarHBondContact O-N 3.47Å; N1239-T1243 PolarHBondContact O-OG1 3.08Å
1240T85.6Confident88.4Confident54 Ų5450.2 Ų50.233%0.33128%0.282SS..Hα-helixtrans-64.8-41.4172.3-65.30000111.6V1236 Y1237 L1238 T1243 A1244V1236-T1240 PolarHBondContact O-N 3.39Å; V1236-T1240 PolarHBondContact O-OG1 2.75Å; Y1237-T1240 PolarHBondContact O-N 3.05Å; L1238-T1240 VanDerWaalsContact C-N 3.27Å; L1238-T1240 PolarHBondContact O-N 2.94Å; T1240-T1243 WeakPolarHBondContact O-CB 3.37Å; T1240-T1243 PolarHBondContact O-N 3.16Å; T1240-A1244 PolarHBondContact O-N 3.13Å
1241A90.3Very high88.7Confident48 Ų4851.4 Ų51.440%0.39728%0.283SS..Hα-helixtrans-63.1-42.8174.800000113Y1237 L1238 T1243 A1244 M1245Y1237-A1241 PolarHBondContact O-N 3.18Å; L1238-A1241 WeakPolarHBondContact O-CA 3.5Å; L1238-A1241 WeakPolarHBondContact O-CB 3.39Å; L1238-A1241 PolarHBondContact O-N 3.16Å; A1241-T1243 VanDerWaalsContact C-N 3.32Å; A1241-T1243 PolarHBondContact O-N 2.85Å; A1241-A1244 PolarHBondContact O-N 2.94Å; A1241-M1245 PolarHBondContact O-N 3.49Å
1242F90.6Very high88.9Confident14 Ų1451 Ų516%0.06129%0.285CS..Hα-helixtrans-64.5-37.4173.1-70.9-70000112M1196 L1199 N1200 I1203 L1238 N1239 A1244 M1245 F1246M1196-F1242 HydrophobicContact SD-CE1 3.96Å; L1199-F1242 HydrophobicContact CD2-CE1 4.07Å; L1199-F1242 HydrophobicContact CD2-CE2 4.09Å; L1199-F1242 HydrophobicContact CD2-CZ 3.43Å; L1199-F1242 VanDerWaalsContact CD2-CZ 3.43Å; N1200-F1242 HydrophobicContact CB-CB 4.31Å; N1200-F1242 HydrophobicContact CB-CD1 4.22Å; N1200-F1242 HydrophobicContact CB-CD2 4.43Å; N1200-F1242 HydrophobicContact CB-CG 4.01Å; N1200-F1242 VanDerWaalsContact OD1-CB 3.27Å; N1200-F1242 WeakPolarHBondContact OD1-CB 3.41Å; I1203-F1242 HydrophobicContact CD1-CD2 4.03Å; I1203-F1242 HydrophobicContact CD1-CE2 3.33Å; I1203-F1242 HydrophobicContact CD1-CZ 4.04Å; L1238-F1242 HydrophobicContact CB-CE2 4.37Å; L1238-F1242 WeakPolarHBondContact O-CD2 3.46Å; L1238-F1242 PolarHBondContact O-N 3.49Å; N1239-F1242 PolarHBondContact O-N 3.35Å; F1242-A1244 VanDerWaalsContact C-N 3.32Å; F1242-A1244 PolarHBondContact O-N 3.17Å; F1242-M1245 HydrophobicContact CD1-CE 3.57Å; F1242-M1245 HydrophobicContact CE1-CE 3.46Å; F1242-M1245 VanDerWaalsContact CE1-CE 3.46Å; F1242-M1245 HydrophobicContact CZ-CE 4.3Å; F1242-M1245 PolarHBondContact O-N 3.45Å; F1242-M1245 VanDerWaalsContact O-N 3.12Å; F1242-F1246 HydrophobicContact CB-CD2 4.41Å; F1242-F1246 HydrophobicContact CB-CE2 3.96Å; F1242-F1246 WeakPolarHBondContact O-CD2 3.43Å; F1242-F1246 WeakPolarHBondContact O-CG 3.49Å; F1242-F1246 PolarHBondContact O-N 2.97Å
1243T87.3Confident89.2Confident11 Ų1150.1 Ų50.17%0.06728%0.277CS..Hα-helixtrans-59.9-42.9173.3-530000111.2N1239 T1240 A1241 M1245 F1246 T1247 I1279 R1305N1239-T1243 WeakPolarHBondContact O-CB 3.38Å; N1239-T1243 PolarHBondContact O-N 3.47Å; N1239-T1243 PolarHBondContact O-OG1 3.08Å; T1240-T1243 WeakPolarHBondContact O-CB 3.37Å; T1240-T1243 PolarHBondContact O-N 3.16Å; A1241-T1243 VanDerWaalsContact C-N 3.32Å; A1241-T1243 PolarHBondContact O-N 2.85Å; T1243-M1245 VanDerWaalsContact C-N 3.31Å; T1243-M1245 PolarHBondContact O-N 3.2Å; T1243-F1246 PolarHBondContact O-N 3.34Å; T1243-T1247 WeakPolarHBondContact O-CG2 3.45Å; T1243-T1247 PolarHBondContact O-N 3.05Å; T1243-T1247 PolarHBondContact O-OG1 3.01Å; T1243-I1279 HydrophobicContact CG2-CG1 4.47Å; T1243-R1305 PolarHBondContact OG1-NH1 3.09Å; T1243-R1305 PolarHBondContact OG1-NH2 3Å
1244A90.3Very high89.4Confident53 Ų5348.7 Ų48.744%0.43827%0.265SS..Hα-helixtrans-66.6-26.5174.700000114T1240 A1241 F1242 T1247 M1248T1240-A1244 PolarHBondContact O-N 3.13Å; A1241-A1244 PolarHBondContact O-N 2.94Å; F1242-A1244 VanDerWaalsContact C-N 3.32Å; F1242-A1244 PolarHBondContact O-N 3.17Å; A1244-T1247 WeakPolarHBondContact CA-OG1 3.21Å; A1244-T1247 PolarHBondContact O-OG1 3.36Å; A1244-M1248 WeakPolarHBondContact O-CG 3.45Å; A1244-M1248 PolarHBondContact O-N 2.8Å
1245M90.4Very high89.4Confident59 Ų5949.7 Ų49.729%0.29127%0.267SS..Hα-helixtrans-79.9-34.9172.8-70.1-160.4-70.400112.9Y1192 M1196 A1241 F1242 T1243 M1248 E1249Y1192-M1245 PolarHBondContact OH-SD 2.99Å; Y1192-M1245 VanDerWaalsContact OH-SD 3.34Å; M1196-M1245 HydrophobicContact CG-CE 4.27Å; M1196-M1245 HydrophobicContact SD-CE 3.55Å; M1196-M1245 VanDerWaalsContact SD-CE 3.55Å; M1196-M1245 HydrophobicContact SD-SD 4.31Å; A1241-M1245 PolarHBondContact O-N 3.49Å; F1242-M1245 HydrophobicContact CD1-CE 3.57Å; F1242-M1245 HydrophobicContact CE1-CE 3.46Å; F1242-M1245 VanDerWaalsContact CE1-CE 3.46Å; F1242-M1245 HydrophobicContact CZ-CE 4.3Å; F1242-M1245 PolarHBondContact O-N 3.45Å; F1242-M1245 VanDerWaalsContact O-N 3.12Å; T1243-M1245 VanDerWaalsContact C-N 3.31Å; T1243-M1245 PolarHBondContact O-N 3.2Å; M1245-M1248 WeakPolarHBondContact O-CB 3.44Å; M1245-M1248 PolarHBondContact O-N 3.12Å; M1245-E1249 PolarHBondContact O-N 2.91Å
1246F91.2Very high89.4Confident2 Ų249 Ų491%0.00926%0.263CS..Hα-helixtrans-75.1-27.1174.9-59.8-49.9000112.8M1196 I1197 N1200 F1242 T1243 E1249 C1250 V1275M1196-F1246 HydrophobicContact CB-CE1 4.18Å; M1196-F1246 HydrophobicContact CB-CZ 4.27Å; I1197-F1246 HydrophobicContact CG1-CE1 3.77Å; I1197-F1246 HydrophobicContact CG1-CZ 3.84Å; N1200-F1246 HydrophobicContact CB-CE2 4.34Å; N1200-F1246 HydrophobicContact CB-CZ 4.47Å; F1242-F1246 HydrophobicContact CB-CD2 4.41Å; F1242-F1246 HydrophobicContact CB-CE2 3.96Å; F1242-F1246 WeakPolarHBondContact O-CD2 3.43Å; F1242-F1246 WeakPolarHBondContact O-CG 3.49Å; F1242-F1246 PolarHBondContact O-N 2.97Å; T1243-F1246 PolarHBondContact O-N 3.34Å; F1246-E1249 WeakPolarHBondContact CD1-OE2 3.49Å; F1246-E1249 PolarHBondContact O-N 3.49Å; F1246-C1250 WeakPolarHBondContact O-CB 3.46Å; F1246-C1250 PolarHBondContact O-N 3.32Å; F1246-V1275 HydrophobicContact CB-CG2 3.73Å
1247T90.8Very high89.6Confident33 Ų3347.1 Ų47.120%0.20225%0.249CC..Hα-helixtrans-64.8-44.9165.855.10000111.4T1243 A1244 E1249 C1250 L1251 V1275 I1279T1243-T1247 WeakPolarHBondContact O-CG2 3.45Å; T1243-T1247 PolarHBondContact O-N 3.05Å; T1243-T1247 PolarHBondContact O-OG1 3.01Å; A1244-T1247 WeakPolarHBondContact CA-OG1 3.21Å; A1244-T1247 PolarHBondContact O-OG1 3.36Å; T1247-E1249 PolarHBondContact O-N 3.42Å; T1247-C1250 PolarHBondContact O-N 2.97Å; T1247-L1251 WeakPolarHBondContact O-CB 3.33Å; T1247-L1251 WeakPolarHBondContact O-CG 3.19Å; T1247-L1251 PolarHBondContact O-N 3.44Å; T1247-V1275 HydrophobicContact CG2-CG1 3.5Å; T1247-I1279 HydrophobicContact CG2-CD1 3.72Å; T1247-I1279 HydrophobicContact CG2-CG1 4.03Å
1248M91.1Very high89.5Confident122 Ų12239 Ų3960%0.60122%0.218SC*.Hα-helixtrans-57.6-45.3172.7-76.9-74.5-160.400112.2A1244 M1245 C1250 L1251 L1252A1244-M1248 WeakPolarHBondContact O-CG 3.45Å; A1244-M1248 PolarHBondContact O-N 2.8Å; M1245-M1248 WeakPolarHBondContact O-CB 3.44Å; M1245-M1248 PolarHBondContact O-N 3.12Å; M1248-C1250 PolarHBondContact O-N 3.34Å; M1248-L1251 PolarHBondContact O-N 2.98Å; M1248-L1252 WeakPolarHBondContact O-CB 3.4Å; M1248-L1252 VanDerWaalsContact O-CG 3.29Å; M1248-L1252 WeakPolarHBondContact O-CG 3.38Å; M1248-L1252 PolarHBondContact O-N 2.95Å
1249E91.5Very high89.4Confident9 Ų938.5 Ų38.54%0.04222%0.218CC..Hα-helixtrans-53.4-53.3173.5-177.8-168.3179.200111F1189 I1193 M1245 F1246 T1247 L1251 L1252 K1253 K1308F1189-E1249 HydrophobicContact CZ-CG 4.35Å; I1193-E1249 HydrophobicContact CD1-CB 3.86Å; I1193-E1249 HydrophobicContact CD1-CG 3.68Å; I1193-E1249 HydrophobicContact CG1-CG 4.05Å; I1193-E1249 VanDerWaalsContact CG2-OE1 3.27Å; I1193-E1249 WeakPolarHBondContact CG2-OE1 3.36Å; M1245-E1249 PolarHBondContact O-N 2.91Å; F1246-E1249 WeakPolarHBondContact CD1-OE2 3.49Å; F1246-E1249 PolarHBondContact O-N 3.49Å; T1247-E1249 PolarHBondContact O-N 3.42Å; E1249-L1251 PolarHBondContact O-N 3.34Å; E1249-L1252 PolarHBondContact O-N 2.78Å; E1249-K1253 HydrophobicContact CG-CD 4.31Å; E1249-K1253 WeakPolarHBondContact O-CG 3.39Å; E1249-K1253 PolarHBondContact O-N 3.32Å; E1249-K1253 WeakPolarHBondContact OE1-CE 3.43Å; E1249-K1253 IonicContact OE1-NZ 3.45Å; E1249-K1253 PolarHBondContact OE1-NZ 2.97Å; E1249-K1308 IonicContact OE1-NZ 2.69Å; E1249-K1308 IonicContact OE2-NZ 3.48Å; E1249-K1308 PolarHBondContact OE2-NZ 3.17Å
1250C91.1Very high89.5Confident8 Ų845.4 Ų45.45%0.05425%0.248CC..Hα-helixtrans-62.6-43.1-178-172.30000111.9F1246 T1247 M1248 K1253 L1254F1246-C1250 WeakPolarHBondContact O-CB 3.46Å; F1246-C1250 PolarHBondContact O-N 3.32Å; T1247-C1250 PolarHBondContact O-N 2.97Å; M1248-C1250 PolarHBondContact O-N 3.34Å; C1250-K1253 PolarHBondContact O-N 3Å; C1250-L1254 WeakPolarHBondContact O-CB 3.48Å; C1250-L1254 WeakPolarHBondContact O-CD1 3Å; C1250-L1254 PolarHBondContact O-N 3.19Å
1251L92Very high89.4Confident92 Ų9244.7 Ų44.748%0.48225%0.245SC..Hα-helixtrans-64.9-39.4177.5-71170.8000112.8T1247 M1248 E1249 L1254 I1255T1247-L1251 WeakPolarHBondContact O-CB 3.33Å; T1247-L1251 WeakPolarHBondContact O-CG 3.19Å; T1247-L1251 PolarHBondContact O-N 3.44Å; M1248-L1251 PolarHBondContact O-N 2.98Å; E1249-L1251 PolarHBondContact O-N 3.34Å; L1251-L1254 HydrophobicContact CD2-CD2 4.2Å; L1251-L1254 WeakPolarHBondContact O-CB 3.09Å; L1251-L1254 PolarHBondContact O-N 2.75Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.32Å; L1251-I1255 PolarHBondContact O-N 2.97Å
1252L91.6Very high89.3Confident56 Ų5642.8 Ų42.829%0.29323%0.228SC..Hα-helixtrans-66.6-45.4176.4-74.4169.7000111.6I1180 V1184 F1189 M1248 E1249 L1254 I1255 A1256I1180-L1252 HydrophobicContact CG2-CD2 4.21Å; V1184-L1252 HydrophobicContact CG2-CB 3.99Å; F1189-L1252 HydrophobicContact CE2-CD1 4.26Å; F1189-L1252 HydrophobicContact CZ-CD1 4.45Å; M1248-L1252 WeakPolarHBondContact O-CB 3.4Å; M1248-L1252 VanDerWaalsContact O-CG 3.29Å; M1248-L1252 WeakPolarHBondContact O-CG 3.38Å; M1248-L1252 PolarHBondContact O-N 2.95Å; E1249-L1252 PolarHBondContact O-N 2.78Å; L1252-L1254 VanDerWaalsContact C-N 3.33Å; L1252-L1254 PolarHBondContact O-N 3.1Å; L1252-I1255 PolarHBondContact O-N 3.12Å; L1252-A1256 WeakPolarHBondContact O-CB 3.46Å; L1252-A1256 PolarHBondContact O-N 2.83Å
1253K90.8Very high89.4Confident20 Ų2048 Ų489%0.08725%0.251CS..Hα-helixtrans-63.9-37.9175.6-65.4175.4-176.9172.90112V1184 E1249 C1250 I1255 A1256 F1257 Y1262 D1271V1184-K1253 HydrophobicContact CG1-CB 4.38Å; V1184-K1253 HydrophobicContact CG1-CG 3.71Å; E1249-K1253 HydrophobicContact CG-CD 4.31Å; E1249-K1253 WeakPolarHBondContact O-CG 3.39Å; E1249-K1253 PolarHBondContact O-N 3.32Å; E1249-K1253 WeakPolarHBondContact OE1-CE 3.43Å; E1249-K1253 IonicContact OE1-NZ 3.45Å; E1249-K1253 PolarHBondContact OE1-NZ 2.97Å; C1250-K1253 PolarHBondContact O-N 3Å; K1253-I1255 PolarHBondContact O-N 3.36Å; K1253-A1256 PolarHBondContact O-N 2.93Å; K1253-F1257 HydrophobicContact CB-CD2 4.34Å; K1253-F1257 HydrophobicContact CB-CE2 4.45Å; K1253-F1257 VanDerWaalsContact O-CD2 3.3Å; K1253-F1257 WeakPolarHBondContact O-CD2 3.36Å; K1253-F1257 PolarHBondContact O-N 2.93Å; K1253-F1257 VanDerWaalsContact O-N 3.1Å; K1253-Y1262 HydrophobicContact CB-CE1 3.77Å; K1253-Y1262 HydrophobicContact CB-CE2 3.83Å; K1253-Y1262 WeakPolarHBondContact CB-OH 3.47Å; K1253-Y1262 HydrophobicContact CD-CE2 4.42Å; K1253-Y1262 WeakPolarHBondContact CD-OH 3.29Å; K1253-D1271 IonicContact NZ-OD2 3.58Å; K1253-D1271 PolarHBondContact NZ-OD2 2.9Å
1254L90.5Very high89.3Confident17 Ų1755.8 Ų55.89%0.08928%0.279CS..Hα-helixtrans-45.7-59.8168.5-120.874.5000110.7C1250 L1251 L1252 G1258 Y1262 N1808 A1809C1250-L1254 WeakPolarHBondContact O-CB 3.48Å; C1250-L1254 WeakPolarHBondContact O-CD1 3Å; C1250-L1254 PolarHBondContact O-N 3.19Å; L1251-L1254 HydrophobicContact CD2-CD2 4.2Å; L1251-L1254 WeakPolarHBondContact O-CB 3.09Å; L1251-L1254 PolarHBondContact O-N 2.75Å; L1252-L1254 VanDerWaalsContact C-N 3.33Å; L1252-L1254 PolarHBondContact O-N 3.1Å; L1254-G1258 WeakPolarHBondContact O-CA 2.71Å; L1254-G1258 PolarHBondContact O-N 3.16Å; L1254-Y1262 HydrophobicContact CD1-CD1 4.48Å; L1254-Y1262 HydrophobicContact CD1-CE1 4.1Å; L1254-N1808 VanDerWaalsContact CD1-O 3.28Å; L1254-N1808 WeakPolarHBondContact CD1-O 3.09Å; L1254-A1809 CarbonylContact C-O 3.38Å; L1254-A1809 HydrophobicContact CD1-CB 3.62Å; L1254-A1809 HydrophobicContact CD2-CB 3.68Å; L1254-A1809 HydrophobicContact CG-CB 3.43Å; L1254-A1809 VanDerWaalsContact CG-CB 3.43Å
1255I89.9Confident88.9Confident95 Ų9556.3 Ų56.349%0.48727%0.274SS..Hα-helixtrans-69.7-37.9-173.4-62.2162.9000111K1177 I1180 L1251 L1252 K1253K1177-I1255 WeakPolarHBondContact CE-O 3.37Å; I1180-I1255 HydrophobicContact CD1-CG2 3.59Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.32Å; L1251-I1255 PolarHBondContact O-N 2.97Å; L1252-I1255 PolarHBondContact O-N 3.12Å; K1253-I1255 PolarHBondContact O-N 3.36Å
1256A87.4Confident88.7Confident0 Ų055.4 Ų55.40%027%0.274CS..Hα-helixtrans-58.2-46.7177.300000113.4K1177 I1180 W1181 V1184 L1252 K1253K1177-A1256 WeakPolarHBondContact CE-O 3.05Å; I1180-A1256 HydrophobicContact CG2-CB 4.19Å; W1181-A1256 HydrophobicContact CB-CB 4.25Å; V1184-A1256 HydrophobicContact CB-CB 4.08Å; V1184-A1256 HydrophobicContact CG1-CB 4.16Å; V1184-A1256 HydrophobicContact CG2-CB 4.08Å; L1252-A1256 WeakPolarHBondContact O-CB 3.46Å; L1252-A1256 PolarHBondContact O-N 2.83Å; K1253-A1256 PolarHBondContact O-N 2.93Å
1257F86.1Confident88.5Confident38 Ų3856.6 Ų56.617%0.16728%0.278CS..Hα-helixtrans-105.9-41.8-168.8-63.2-67.7000113.1K1177 W1181 V1184 V1185 K1253 S1261 Y1262K1177-F1257 PolarHBondContact NZ-O 3.29Å; W1181-F1257 AromaticContact CD1-CD1 3.87Å; W1181-F1257 AromaticContact CD1-CE1 3.66Å; W1181-F1257 AromaticContact NE1-CE1 3.66Å; V1184-F1257 HydrophobicContact CG1-CE2 3.75Å; V1184-F1257 HydrophobicContact CG1-CZ 4.18Å; V1185-F1257 HydrophobicContact CG2-CE1 4.05Å; V1185-F1257 HydrophobicContact CG2-CZ 3.73Å; K1253-F1257 HydrophobicContact CB-CD2 4.34Å; K1253-F1257 HydrophobicContact CB-CE2 4.45Å; K1253-F1257 VanDerWaalsContact O-CD2 3.3Å; K1253-F1257 WeakPolarHBondContact O-CD2 3.36Å; K1253-F1257 PolarHBondContact O-N 2.93Å; K1253-F1257 VanDerWaalsContact O-N 3.1Å; F1257-S1261 PolarHBondContact O-OG 2.66Å; F1257-Y1262 VanDerWaalsContact CB-CB 3.48Å; F1257-Y1262 HydrophobicContact CB-CD1 4.44Å; F1257-Y1262 HydrophobicContact CB-CD2 3.69Å; F1257-Y1262 HydrophobicContact CB-CG 3.62Å; F1257-Y1262 AromaticContact CD2-CD2 3.33Å; F1257-Y1262 HydrophobicContact CD2-CD2 3.33Å; F1257-Y1262 AromaticContact CD2-CE2 3.59Å; F1257-Y1262 HydrophobicContact CD2-CE2 3.59Å; F1257-Y1262 HydrophobicContact CD2-CG 4.03Å; F1257-Y1262 HydrophobicContact CE2-CD2 4.17Å; F1257-Y1262 HydrophobicContact CE2-CE2 4.1Å; F1257-Y1262 AromaticContact CG-CD2 3.78Å; F1257-Y1262 HydrophobicContact CG-CD2 3.78Å; F1257-Y1262 HydrophobicContact CG-CE2 4.48Å; F1257-Y1262 HydrophobicContact CG-CG 4.23Å
1258G86.3Confident88.4Confident2 Ų256.3 Ų56.32%0.02128%0.275CS..  trans91.7-179.9175.100000116.3L1254 K1260 Y1262 N1808 A1809L1254-G1258 WeakPolarHBondContact O-CA 2.71Å; L1254-G1258 PolarHBondContact O-N 3.16Å; G1258-K1260 PolarHBondContact O-N 3.41Å; G1258-Y1262 WeakPolarHBondContact O-CB 3.33Å; G1258-Y1262 PolarHBondContact O-N 3.4Å; G1258-N1808 PolarHBondContact O-OD1 3.48Å; G1258-N1808 VanDerWaalsContact O-OD1 3.1Å; G1258-A1809 CarbonylContact C-O 2.87Å; G1258-A1809 WeakPolarHBondContact CA-O 3.18Å
1259P87.9Confident88.3Confident58 Ų5851.6 Ų51.638%0.37725%0.254SS..THydrogen-bonded Turntrans-67.60.8-150.428.2-36.4000117.8N1808 H1810P1259-N1808 WeakPolarHBondContact CA-OD1 3.2Å; P1259-N1808 PolarHBondContact O-ND2 3.29Å; P1259-N1808 PolarHBondContact O-OD1 2.92Å; P1259-N1808 VanDerWaalsContact O-OD1 3.08Å; P1259-H1810 WeakPolarHBondContact CD-O 3.47Å
1260K86.8Confident88.2Confident162 Ų16253.7 Ų53.770%0.70426%0.263SS*.THydrogen-bonded Turntrans-157.5-43.3-164.2-171.4176.3-179.9178.40113G1258 Y1262 F1263 R1264 N1808G1258-K1260 PolarHBondContact O-N 3.41Å; K1260-Y1262 VanDerWaalsContact C-N 3.28Å; K1260-F1263 CarbonylContact O-C 3.57Å; K1260-F1263 WeakPolarHBondContact O-CA 3.15Å; K1260-F1263 WeakPolarHBondContact O-CB 3.18Å; K1260-F1263 PolarHBondContact O-N 3.42Å; K1260-F1263 VanDerWaalsContact O-N 3.13Å; K1260-R1264 PolarHBondContact O-N 2.85Å; K1260-N1808 PolarHBondContact N-OD1 3.1Å
1261S84Confident88.1Confident40 Ų4053.5 Ų53.528%0.2826%0.261SS..THydrogen-bonded Turntrans-61.4-44.5172.212.20000110.1F1257 R1264F1257-S1261 PolarHBondContact O-OG 2.66Å; S1261-R1264 WeakPolarHBondContact O-CB 3.34Å
1262Y88.5Confident88.1Confident8 Ų853.4 Ų53.43%0.03126%0.257CS..G310 helixtrans-64.2-49.7169.8-156.2-146.7000108K1253 L1254 F1257 G1258 K1260 R1264 N1268 P1807K1253-Y1262 HydrophobicContact CB-CE1 3.77Å; K1253-Y1262 HydrophobicContact CB-CE2 3.83Å; K1253-Y1262 WeakPolarHBondContact CB-OH 3.47Å; K1253-Y1262 HydrophobicContact CD-CE2 4.42Å; K1253-Y1262 WeakPolarHBondContact CD-OH 3.29Å; L1254-Y1262 HydrophobicContact CD1-CD1 4.48Å; L1254-Y1262 HydrophobicContact CD1-CE1 4.1Å; F1257-Y1262 VanDerWaalsContact CB-CB 3.48Å; F1257-Y1262 HydrophobicContact CB-CD1 4.44Å; F1257-Y1262 HydrophobicContact CB-CD2 3.69Å; F1257-Y1262 HydrophobicContact CB-CG 3.62Å; F1257-Y1262 AromaticContact CD2-CD2 3.33Å; F1257-Y1262 HydrophobicContact CD2-CD2 3.33Å; F1257-Y1262 AromaticContact CD2-CE2 3.59Å; F1257-Y1262 HydrophobicContact CD2-CE2 3.59Å; F1257-Y1262 HydrophobicContact CD2-CG 4.03Å; F1257-Y1262 HydrophobicContact CE2-CD2 4.17Å; F1257-Y1262 HydrophobicContact CE2-CE2 4.1Å; F1257-Y1262 AromaticContact CG-CD2 3.78Å; F1257-Y1262 HydrophobicContact CG-CD2 3.78Å; F1257-Y1262 HydrophobicContact CG-CE2 4.48Å; F1257-Y1262 HydrophobicContact CG-CG 4.23Å; G1258-Y1262 WeakPolarHBondContact O-CB 3.33Å; G1258-Y1262 PolarHBondContact O-N 3.4Å; K1260-Y1262 VanDerWaalsContact C-N 3.28Å; Y1262-R1264 PolarHBondContact O-N 2.92Å; Y1262-N1268 HydrophobicContact CE2-CB 4.17Å; Y1262-N1268 WeakPolarHBondContact CE2-ND2 3.41Å; Y1262-N1268 VanDerWaalsContact OH-CB 3.28Å; Y1262-N1268 WeakPolarHBondContact OH-CB 3.28Å; Y1262-P1807 CarbonylContact C-O 3.59Å; Y1262-P1807 WeakPolarHBondContact CD1-O 3.45Å; Y1262-P1807 WeakPolarHBondContact CD2-O 3.48Å; Y1262-P1807 WeakPolarHBondContact CE1-O 3.37Å; Y1262-P1807 WeakPolarHBondContact CE2-O 3.41Å; Y1262-P1807 CarbonylContact O-C 3.57Å; Y1262-P1807 WeakPolarHBondContact O-CA 3.44Å; Y1262-P1807 VanDerWaalsContact O-O 3.09Å
1263F91.6Very high88Confident124 Ų12454.8 Ų54.854%0.54426%0.264SS..G310 helixtrans-55.33.3176.3-139.9-15000120.2K1260 D1265 Y1806 P1807 N1808K1260-F1263 CarbonylContact O-C 3.57Å; K1260-F1263 WeakPolarHBondContact O-CA 3.15Å; K1260-F1263 WeakPolarHBondContact O-CB 3.18Å; K1260-F1263 PolarHBondContact O-N 3.42Å; K1260-F1263 VanDerWaalsContact O-N 3.13Å; F1263-D1265 PolarHBondContact O-N 2.72Å; F1263-D1265 VanDerWaalsContact O-N 3.07Å; F1263-Y1806 WeakPolarHBondContact O-CE2 3.36Å; F1263-P1807 HydrophobicContact CD1-CB 3.59Å; F1263-P1807 HydrophobicContact CE1-CB 4.24Å; F1263-P1807 HydrophobicContact CG-CB 4.42Å; F1263-N1808 VanDerWaalsContact CA-CB 3.46Å; F1263-N1808 HydrophobicContact CB-CB 3.54Å; F1263-N1808 WeakPolarHBondContact CB-ND2 3.45Å; F1263-N1808 WeakPolarHBondContact CB-OD1 3.25Å; F1263-N1808 HydrophobicContact CD1-CB 3.83Å; F1263-N1808 HydrophobicContact CD2-CB 4.17Å; F1263-N1808 WeakPolarHBondContact CD2-ND2 3.11Å; F1263-N1808 HydrophobicContact CG-CB 3.57Å; F1263-N1808 VanDerWaalsContact CG-CG 3.43Å; F1263-N1808 VanDerWaalsContact CG-ND2 3.27Å; F1263-N1808 WeakPolarHBondContact CG-ND2 3.33Å; F1263-N1808 PolarHBondContact N-OD1 2.88Å
1264R86Confident88Confident173 Ų17353.9 Ų53.965%0.65326%0.26SS*.G310 helixtrans-76.1-13.1-152.3-175.9161.5153.5133.55.9115.8Y1168 K1260 S1261 Y1262 Y1806Y1168-R1264 WeakPolarHBondContact OH-CD 3.12Å; Y1168-R1264 PolarHBondContact OH-NE 2.96Å; K1260-R1264 PolarHBondContact O-N 2.85Å; S1261-R1264 WeakPolarHBondContact O-CB 3.34Å; Y1262-R1264 PolarHBondContact O-N 2.92Å; R1264-Y1806 VanDerWaalsContact C-CG 3.47Å; R1264-Y1806 WeakPolarHBondContact O-CE1 3.42Å; R1264-Y1806 PolarHBondContact O-OH 2.82Å
1265D82.6Confident88Confident65 Ų6553.5 Ų53.535%0.34826%0.258SS..SBendtrans-141.4-125.6-170.271.753.8000127.5F1263 T1804 Y1805 Y1806F1263-D1265 PolarHBondContact O-N 2.72Å; F1263-D1265 VanDerWaalsContact O-N 3.07Å; D1265-T1804 VanDerWaalsContact CB-CB 3.42Å; D1265-T1804 HydrophobicContact CB-CG2 3.22Å; D1265-Y1805 WeakPolarHBondContact OD1-CA 3.45Å; D1265-Y1805 PolarHBondContact OD1-N 3.26Å; D1265-Y1806 VanDerWaalsContact C-CZ 3.45Å; D1265-Y1806 WeakPolarHBondContact CA-OH 3.3Å; D1265-Y1806 HydrophobicContact CB-CD1 3.18Å; D1265-Y1806 HydrophobicContact CB-CD2 3.9Å; D1265-Y1806 HydrophobicContact CB-CE1 2.58Å; D1265-Y1806 HydrophobicContact CB-CE2 3.42Å; D1265-Y1806 VanDerWaalsContact CB-CE2 3.42Å; D1265-Y1806 HydrophobicContact CB-CG 3.8Å; D1265-Y1806 WeakPolarHBondContact CB-OH 3.48Å; D1265-Y1806 PolarHBondContact N-OH 2.89Å; D1265-Y1806 WeakPolarHBondContact O-CD2 3.44Å; D1265-Y1806 WeakPolarHBondContact O-CE2 3.39Å; D1265-Y1806 WeakPolarHBondContact OD1-CD1 3.43Å; D1265-Y1806 WeakPolarHBondContact OD1-CE1 3.42Å; D1265-Y1806 WeakPolarHBondContact OD2-CE1 3.37Å
1266S85.8Confident88.1Confident40 Ų4051.9 Ų51.928%0.2825%0.253SS..SBendtrans-154.913.8157.8-83.50000127.3T1269 F1270 T1804 Y1805 Y1806S1266-T1269 WeakPolarHBondContact CA-OG1 3.29Å; S1266-T1269 WeakPolarHBondContact CB-OG1 3.36Å; S1266-T1269 WeakPolarHBondContact O-CA 2.97Å; S1266-T1269 VanDerWaalsContact O-CB 3.27Å; S1266-T1269 WeakPolarHBondContact O-CB 2.98Å; S1266-T1269 PolarHBondContact O-N 2.85Å; S1266-T1269 WeakPolarHBondContact OG-CB 3.19Å; S1266-T1269 PolarHBondContact OG-OG1 2.69Å; S1266-F1270 PolarHBondContact O-N 3.18Å; S1266-T1804 CarbonylContact C-O 3.57Å; S1266-T1804 WeakPolarHBondContact CA-O 3.5Å; S1266-T1804 WeakPolarHBondContact CB-O 3.5Å; S1266-T1804 PolarHBondContact N-O 3.09Å; S1266-Y1805 VanDerWaalsContact N-C 3.29Å; S1266-Y1806 CarbonylContact C-O 3.57Å; S1266-Y1806 WeakPolarHBondContact CA-O 3.47Å
1267W86.5Confident88.1Confident27 Ų2752.1 Ų52.110%0.10226%0.255CS..Hα-helixtrans-70.3-47.7178.1-113.6145.5000114.6T1269 F1270 D1271 I1307 R1311 T1804 Y1805 Y1806W1267-T1269 PolarHBondContact O-N 2.93Å; W1267-F1270 HydrophobicContact CE3-CB 4.35Å; W1267-F1270 HydrophobicContact CE3-CD1 4.07Å; W1267-F1270 HydrophobicContact CE3-CG 4.49Å; W1267-F1270 AromaticContact CZ3-CD1 3.83Å; W1267-F1270 HydrophobicContact CZ3-CD1 3.83Å; W1267-F1270 HydrophobicContact CZ3-CE1 4.28Å; W1267-F1270 HydrophobicContact CZ3-CG 4.44Å; W1267-F1270 WeakPolarHBondContact O-CB 3.27Å; W1267-D1271 PolarHBondContact O-N 2.96Å; W1267-D1271 VanDerWaalsContact O-N 3.08Å; W1267-I1307 HydrophobicContact CH2-CG2 3.98Å; W1267-I1307 VanDerWaalsContact CH2-O 3.25Å; W1267-I1307 WeakPolarHBondContact CH2-O 3.36Å; W1267-I1307 HydrophobicContact CZ3-CG2 4.1Å; W1267-R1311 HydrophobicContact CD2-CG 3.99Å; W1267-R1311 HydrophobicContact CH2-CG 4.11Å; W1267-R1311 HydrophobicContact CZ2-CG 3.47Å; W1267-R1311 VanDerWaalsContact CZ2-CG 3.47Å; W1267-T1804 PolarHBondContact N-O 3.16Å; W1267-Y1805 HydrophobicContact CB-CD1 3.68Å; W1267-Y1805 HydrophobicContact CB-CG 4.22Å; W1267-Y1805 AromaticContact CD1-CD1 3.19Å; W1267-Y1805 AromaticContact CD1-CE1 3.88Å; W1267-Y1805 AromaticContact CD1-CG 3.33Å; W1267-Y1805 AromaticContact CD2-CD1 3.44Å; W1267-Y1805 HydrophobicContact CD2-CD1 3.44Å; W1267-Y1805 VanDerWaalsContact CD2-CD1 3.44Å; W1267-Y1805 AromaticContact CD2-CE1 3.54Å; W1267-Y1805 HydrophobicContact CD2-CE1 3.54Å; W1267-Y1805 HydrophobicContact CD2-CG 4.36Å; W1267-Y1805 AromaticContact CE2-CD1 3.53Å; W1267-Y1805 AromaticContact CE2-CE1 3.34Å; W1267-Y1805 AromaticContact CE2-CZ 3.87Å; W1267-Y1805 HydrophobicContact CE3-CD1 4.31Å; W1267-Y1805 HydrophobicContact CE3-CE1 4.14Å; W1267-Y1805 AromaticContact CG-CD1 3.14Å; W1267-Y1805 HydrophobicContact CG-CD1 3.14Å; W1267-Y1805 AromaticContact CG-CE1 3.81Å; W1267-Y1805 HydrophobicContact CG-CE1 3.81Å; W1267-Y1805 AromaticContact CG-CG 3.75Å; W1267-Y1805 HydrophobicContact CG-CG 3.75Å; W1267-Y1805 HydrophobicContact CH2-CE1 4.3Å; W1267-Y1805 HydrophobicContact CZ2-CD1 4.38Å; W1267-Y1805 AromaticContact CZ2-CE1 3.74Å; W1267-Y1805 HydrophobicContact CZ2-CE1 3.74Å; W1267-Y1805 AromaticContact CZ2-CZ 4Å; W1267-Y1805 HydrophobicContact CZ3-CE1 4.49Å; W1267-Y1805 AromaticContact NE1-CD1 3.35Å; W1267-Y1805 AromaticContact NE1-CD2 3.95Å; W1267-Y1805 AromaticContact NE1-CE1 3.55Å; W1267-Y1805 AromaticContact NE1-CG 3.59Å; W1267-Y1805 AromaticContact NE1-CZ 3.92Å; W1267-Y1806 CarbonylContact C-O 3.54Å; W1267-Y1806 PolarHBondContact N-O 3.48Å
1268N88.2Confident88.2Confident26 Ų2650.3 Ų50.314%0.13925%0.247CC..Hα-helixtrans-74.20.6168.1-28.2-57000111Y1262 D1271 F1272 Y1806 P1807Y1262-N1268 HydrophobicContact CE2-CB 4.17Å; Y1262-N1268 WeakPolarHBondContact CE2-ND2 3.41Å; Y1262-N1268 VanDerWaalsContact OH-CB 3.28Å; Y1262-N1268 WeakPolarHBondContact OH-CB 3.28Å; N1268-D1271 VanDerWaalsContact CA-CB 3.44Å; N1268-D1271 HydrophobicContact CB-CB 4.2Å; N1268-D1271 WeakPolarHBondContact O-CB 3.3Å; N1268-F1272 WeakPolarHBondContact O-CB 2.9Å; N1268-F1272 PolarHBondContact O-N 3.48Å; N1268-Y1806 CarbonylContact C-O 3.59Å; N1268-Y1806 WeakPolarHBondContact CA-O 3.47Å; N1268-Y1806 PolarHBondContact N-O 3.27Å; N1268-P1807 PolarHBondContact ND2-O 3.3Å; N1268-P1807 VanDerWaalsContact O-CD 3.32Å; N1268-P1807 WeakPolarHBondContact O-CD 3.43Å
1269T89.8Confident88.3Confident24 Ų2453.3 Ų53.315%0.14726%0.262CS..Hα-helixtrans-94-42.4-180-50.10000105.5S1266 W1267 D1271 F1272 I1273 Y1806 P1807S1266-T1269 WeakPolarHBondContact CA-OG1 3.29Å; S1266-T1269 WeakPolarHBondContact CB-OG1 3.36Å; S1266-T1269 WeakPolarHBondContact O-CA 2.97Å; S1266-T1269 VanDerWaalsContact O-CB 3.27Å; S1266-T1269 WeakPolarHBondContact O-CB 2.98Å; S1266-T1269 PolarHBondContact O-N 2.85Å; S1266-T1269 WeakPolarHBondContact OG-CB 3.19Å; S1266-T1269 PolarHBondContact OG-OG1 2.69Å; W1267-T1269 PolarHBondContact O-N 2.93Å; T1269-D1271 PolarHBondContact O-N 3.11Å; T1269-F1272 PolarHBondContact O-N 3.24Å; T1269-I1273 HydrophobicContact CG2-CD1 3.64Å; T1269-I1273 HydrophobicContact CG2-CG1 4Å; T1269-I1273 WeakPolarHBondContact O-CA 3.08Å; T1269-I1273 WeakPolarHBondContact O-CB 3.42Å; T1269-I1273 WeakPolarHBondContact O-CG1 3.49Å; T1269-I1273 PolarHBondContact O-N 2.7Å; T1269-Y1806 PolarHBondContact N-O 2.94Å; T1269-P1807 HydrophobicContact CG2-CG 4.04Å; T1269-P1807 WeakPolarHBondContact OG1-CD 3.34Å; T1269-P1807 WeakPolarHBondContact OG1-CG 3.26Å
1270F89.1Confident88.3Confident53 Ų5353.3 Ų53.323%0.23226%0.261CS..Hα-helixtrans-49.5-48.2156.8-168.6-107.3000110.6S1266 W1267 T1274 A1304 I1307S1266-F1270 PolarHBondContact O-N 3.18Å; W1267-F1270 HydrophobicContact CE3-CB 4.35Å; W1267-F1270 HydrophobicContact CE3-CD1 4.07Å; W1267-F1270 HydrophobicContact CE3-CG 4.49Å; W1267-F1270 AromaticContact CZ3-CD1 3.83Å; W1267-F1270 HydrophobicContact CZ3-CD1 3.83Å; W1267-F1270 HydrophobicContact CZ3-CE1 4.28Å; W1267-F1270 HydrophobicContact CZ3-CG 4.44Å; W1267-F1270 WeakPolarHBondContact O-CB 3.27Å; F1270-T1274 HydrophobicContact CD1-CG2 4.4Å; F1270-T1274 HydrophobicContact CD2-CG2 4.23Å; F1270-T1274 HydrophobicContact CE1-CG2 4.18Å; F1270-T1274 HydrophobicContact CE2-CG2 4Å; F1270-T1274 HydrophobicContact CG-CG2 4.42Å; F1270-T1274 HydrophobicContact CZ-CG2 3.98Å; F1270-T1274 VanDerWaalsContact O-CB 3.22Å; F1270-T1274 WeakPolarHBondContact O-CB 3.17Å; F1270-T1274 WeakPolarHBondContact O-CG2 3.15Å; F1270-T1274 PolarHBondContact O-N 3.47Å; F1270-T1274 PolarHBondContact O-OG1 3.08Å; F1270-A1304 WeakPolarHBondContact CE1-O 3.12Å; F1270-A1304 HydrophobicContact CE2-CB 4.17Å; F1270-A1304 HydrophobicContact CZ-CB 3.76Å; F1270-A1304 WeakPolarHBondContact CZ-O 3.38Å; F1270-I1307 HydrophobicContact CE1-CB 3.71Å; F1270-I1307 HydrophobicContact CE1-CG2 4Å; F1270-I1307 HydrophobicContact CE2-CD1 4.48Å; F1270-I1307 HydrophobicContact CZ-CB 3.61Å; F1270-I1307 HydrophobicContact CZ-CD1 3.95Å; F1270-I1307 HydrophobicContact CZ-CG1 4.21Å; F1270-I1307 HydrophobicContact CZ-CG2 3.92Å
1271D88.5Confident88.2Confident3 Ų345.8 Ų45.82%0.01623%0.229CC..Hα-helixtrans-57.4-55.4171.5-155.5-2.7000112.2K1253 W1267 N1268 T1269 I1273 T1274 V1275 K1308K1253-D1271 IonicContact NZ-OD2 3.58Å; K1253-D1271 PolarHBondContact NZ-OD2 2.9Å; W1267-D1271 PolarHBondContact O-N 2.96Å; W1267-D1271 VanDerWaalsContact O-N 3.08Å; N1268-D1271 VanDerWaalsContact CA-CB 3.44Å; N1268-D1271 HydrophobicContact CB-CB 4.2Å; N1268-D1271 WeakPolarHBondContact O-CB 3.3Å; T1269-D1271 PolarHBondContact O-N 3.11Å; D1271-I1273 PolarHBondContact O-N 3.38Å; D1271-T1274 PolarHBondContact O-N 3.14Å; D1271-T1274 PolarHBondContact O-OG1 3.09Å; D1271-T1274 VanDerWaalsContact O-OG1 3.14Å; D1271-V1275 WeakPolarHBondContact O-CB 3.21Å; D1271-V1275 WeakPolarHBondContact O-CG2 3.43Å; D1271-V1275 PolarHBondContact O-N 3.48Å; D1271-K1308 VanDerWaalsContact CG-CE 3.43Å; D1271-K1308 WeakPolarHBondContact OD1-CE 3.13Å; D1271-K1308 IonicContact OD1-NZ 2.83Å; D1271-K1308 PolarHBondContact OD1-NZ 3.11Å; D1271-K1308 IonicContact OD2-NZ 2.79Å; D1271-K1308 PolarHBondContact OD2-NZ 3.06Å
1272F91.5Very high88.1Confident90 Ų9045.5 Ų45.540%0.39523%0.225SC..Hα-helixtrans-60.1-42.1179.1-177.5-97.1000113.9N1268 T1269 V1276N1268-F1272 WeakPolarHBondContact O-CB 2.9Å; N1268-F1272 PolarHBondContact O-N 3.48Å; T1269-F1272 PolarHBondContact O-N 3.24Å; F1272-V1276 HydrophobicContact CD1-CG2 4.32Å; F1272-V1276 HydrophobicContact CE1-CG2 4.01Å; F1272-V1276 HydrophobicContact CE2-CG2 4.27Å; F1272-V1276 HydrophobicContact CZ-CG2 3.99Å; F1272-V1276 VanDerWaalsContact O-CB 3.24Å; F1272-V1276 WeakPolarHBondContact O-CB 3.33Å; F1272-V1276 WeakPolarHBondContact O-CG2 3.41Å; F1272-V1276 PolarHBondContact O-N 3.22Å
1273I91.2Very high87.9Confident85 Ų8549.9 Ų49.944%0.43625%0.248SC..Hα-helixtrans-72.6-42.2178.6-70.8173.4000110.6T1269 D1271 G1277 F1301T1269-I1273 HydrophobicContact CG2-CD1 3.64Å; T1269-I1273 HydrophobicContact CG2-CG1 4Å; T1269-I1273 WeakPolarHBondContact O-CA 3.08Å; T1269-I1273 WeakPolarHBondContact O-CB 3.42Å; T1269-I1273 WeakPolarHBondContact O-CG1 3.49Å; T1269-I1273 PolarHBondContact O-N 2.7Å; D1271-I1273 PolarHBondContact O-N 3.38Å; I1273-G1277 WeakPolarHBondContact O-CA 3.38Å; I1273-G1277 PolarHBondContact O-N 3.38Å; I1273-F1301 HydrophobicContact CG2-CD1 4.31Å; I1273-F1301 HydrophobicContact CG2-CE1 3.69Å; I1273-F1301 HydrophobicContact CG2-CZ 4.47Å
1274T89Confident87.3Confident2 Ų245.2 Ų45.21%0.01223%0.23CC..Hα-helixtrans-68.9-36.7176.255.20000111F1270 D1271 S1278 F1301 A1304F1270-T1274 HydrophobicContact CD1-CG2 4.4Å; F1270-T1274 HydrophobicContact CD2-CG2 4.23Å; F1270-T1274 HydrophobicContact CE1-CG2 4.18Å; F1270-T1274 HydrophobicContact CE2-CG2 4Å; F1270-T1274 HydrophobicContact CG-CG2 4.42Å; F1270-T1274 HydrophobicContact CZ-CG2 3.98Å; F1270-T1274 VanDerWaalsContact O-CB 3.22Å; F1270-T1274 WeakPolarHBondContact O-CB 3.17Å; F1270-T1274 WeakPolarHBondContact O-CG2 3.15Å; F1270-T1274 PolarHBondContact O-N 3.47Å; F1270-T1274 PolarHBondContact O-OG1 3.08Å; D1271-T1274 PolarHBondContact O-N 3.14Å; D1271-T1274 PolarHBondContact O-OG1 3.09Å; D1271-T1274 VanDerWaalsContact O-OG1 3.14Å; T1274-S1278 WeakPolarHBondContact O-CB 2.86Å; T1274-S1278 PolarHBondContact O-N 2.97Å; T1274-S1278 PolarHBondContact O-OG 3.43Å; T1274-F1301 HydrophobicContact CG2-CD1 4.41Å; T1274-A1304 HydrophobicContact CG2-CB 3.68Å
1275V91.1Very high86.7Confident8 Ų840.3 Ų40.35%0.04822%0.222CC..Hα-helixtrans-65.6-50.7172.1168.50000111.2F1246 T1247 D1271 S1278 I1279F1246-V1275 HydrophobicContact CB-CG2 3.73Å; T1247-V1275 HydrophobicContact CG2-CG1 3.5Å; D1271-V1275 WeakPolarHBondContact O-CB 3.21Å; D1271-V1275 WeakPolarHBondContact O-CG2 3.43Å; D1271-V1275 PolarHBondContact O-N 3.48Å; V1275-S1278 PolarHBondContact O-N 3.27Å; V1275-I1279 HydrophobicContact CG1-CD1 4.14Å; V1275-I1279 WeakPolarHBondContact O-CG1 3.42Å; V1275-I1279 PolarHBondContact O-N 2.9Å
1276V91.6Very high86.4Confident62 Ų6244.1 Ų44.138%0.37624%0.238SC..Hα-helixtrans-60.6-48.6176.6166.10000111.1F1272 S1278 I1279 T1280F1272-V1276 HydrophobicContact CD1-CG2 4.32Å; F1272-V1276 HydrophobicContact CE1-CG2 4.01Å; F1272-V1276 HydrophobicContact CE2-CG2 4.27Å; F1272-V1276 HydrophobicContact CZ-CG2 3.99Å; F1272-V1276 VanDerWaalsContact O-CB 3.24Å; F1272-V1276 WeakPolarHBondContact O-CB 3.33Å; F1272-V1276 WeakPolarHBondContact O-CG2 3.41Å; F1272-V1276 PolarHBondContact O-N 3.22Å; V1276-S1278 VanDerWaalsContact C-N 3.27Å; V1276-S1278 PolarHBondContact O-N 3.47Å; V1276-I1279 WeakPolarHBondContact O-CB 3.45Å; V1276-I1279 PolarHBondContact O-N 3.17Å; V1276-I1279 VanDerWaalsContact O-N 3.11Å; V1276-T1280 PolarHBondContact O-N 2.99Å; V1276-T1280 PolarHBondContact O-OG1 3.1Å
1277G88.8Confident85.8Confident5 Ų547.9 Ų47.95%0.05225%0.254CS..Hα-helixtrans-62.4-31.717700000113.1I1273 T1280 D1281I1273-G1277 WeakPolarHBondContact O-CA 3.38Å; I1273-G1277 PolarHBondContact O-N 3.38Å; G1277-T1280 PolarHBondContact O-N 2.97Å; G1277-D1281 WeakPolarHBondContact O-CB 3.45Å; G1277-D1281 PolarHBondContact O-N 3.42Å
1278S87.9Confident84.7Confident0 Ų050.5 Ų50.50%027%0.268CS..Hα-helixtrans-74.1-35.2171.8-60.70000113.2T1274 V1275 V1276 T1280 D1281 V1282 R1305T1274-S1278 WeakPolarHBondContact O-CB 2.86Å; T1274-S1278 PolarHBondContact O-N 2.97Å; T1274-S1278 PolarHBondContact O-OG 3.43Å; V1275-S1278 PolarHBondContact O-N 3.27Å; V1276-S1278 VanDerWaalsContact C-N 3.27Å; V1276-S1278 PolarHBondContact O-N 3.47Å; S1278-T1280 VanDerWaalsContact C-N 3.28Å; S1278-D1281 PolarHBondContact O-N 3Å; S1278-V1282 WeakPolarHBondContact O-CG2 3.3Å; S1278-V1282 PolarHBondContact O-N 2.89Å; S1278-R1305 PolarHBondContact OG-NH2 2.87Å
1279I88.5Confident83.3Confident65 Ų6557.3 Ų57.333%0.33330%0.304SS..Hα-helixtrans-62.7-42.4169.7-65.8158.9000108.9T1243 T1247 V1275 V1276 V1282 L1283T1243-I1279 HydrophobicContact CG2-CG1 4.47Å; T1247-I1279 HydrophobicContact CG2-CD1 3.72Å; T1247-I1279 HydrophobicContact CG2-CG1 4.03Å; V1275-I1279 HydrophobicContact CG1-CD1 4.14Å; V1275-I1279 WeakPolarHBondContact O-CG1 3.42Å; V1275-I1279 PolarHBondContact O-N 2.9Å; V1276-I1279 WeakPolarHBondContact O-CB 3.45Å; V1276-I1279 PolarHBondContact O-N 3.17Å; V1276-I1279 VanDerWaalsContact O-N 3.11Å; I1279-V1282 PolarHBondContact O-N 3.13Å; I1279-L1283 HydrophobicContact CG2-CD1 3.69Å; I1279-L1283 HydrophobicContact CG2-CG 4.18Å; I1279-L1283 VanDerWaalsContact O-CB 3.32Å; I1279-L1283 WeakPolarHBondContact O-CB 3.37Å; I1279-L1283 VanDerWaalsContact O-CG 3.25Å; I1279-L1283 WeakPolarHBondContact O-CG 3.49Å; I1279-L1283 PolarHBondContact O-N 3.1Å
1280T87Confident81.6Confident57 Ų5759.9 Ų59.935%0.3532%0.323SS..Hα-helixtrans-64.4-42175.1-48.80000111.8V1276 G1277 S1278 L1283 V1284 L1298V1276-T1280 PolarHBondContact O-N 2.99Å; V1276-T1280 PolarHBondContact O-OG1 3.1Å; G1277-T1280 PolarHBondContact O-N 2.97Å; S1278-T1280 VanDerWaalsContact C-N 3.28Å; T1280-L1283 PolarHBondContact O-N 3.44Å; T1280-V1284 HydrophobicContact CG2-CG2 4.03Å; T1280-V1284 WeakPolarHBondContact O-CB 3.38Å; T1280-V1284 VanDerWaalsContact O-CG2 3.22Å; T1280-V1284 WeakPolarHBondContact O-CG2 3.44Å; T1280-V1284 PolarHBondContact O-N 3.2Å; T1280-L1298 HydrophobicContact CG2-CD1 3.92Å; T1280-L1298 HydrophobicContact CG2-CD2 4.15Å
1281D83.9Confident80Confident5 Ų563.2 Ų63.23%0.02735%0.353CS..Hα-helixtrans-58.4-47175.4-174.360.9000112.2G1277 S1278 S1285 L1298 R1299 R1302G1277-D1281 WeakPolarHBondContact O-CB 3.45Å; G1277-D1281 PolarHBondContact O-N 3.42Å; S1278-D1281 PolarHBondContact O-N 3Å; D1281-S1285 WeakPolarHBondContact O-CB 3.42Å; D1281-S1285 PolarHBondContact O-N 3.42Å; D1281-S1285 PolarHBondContact O-OG 3.34Å; D1281-L1298 HydrophobicContact CB-CB 3.89Å; D1281-L1298 VanDerWaalsContact OD1-C 3.31Å; D1281-L1298 WeakPolarHBondContact OD1-CB 3.21Å; D1281-R1299 PolarHBondContact OD1-N 3.26Å; D1281-R1299 VanDerWaalsContact OD1-N 3.16Å; D1281-R1302 IonicContact OD1-NH1 2.84Å; D1281-R1302 WeakPolarHBondContact OD2-CD 3.24Å; D1281-R1302 WeakPolarHBondContact OD2-CG 3.25Å; D1281-R1302 IonicContact OD2-CZ 3.61Å; D1281-R1302 IonicContact OD2-NE 3.67Å; D1281-R1302 IonicContact OD2-NH1 2.62Å; D1281-R1302 PolarHBondContact OD2-NH1 2.77Å
1282V82.4Confident78.3Confident33 Ų3371.6 Ų71.620%0.239%0.39CS..Hα-helixtrans-65.4-50.8175.3173.50000111.1S1278 I1279 V1284 S1285 E1286S1278-V1282 WeakPolarHBondContact O-CG2 3.3Å; S1278-V1282 PolarHBondContact O-N 2.89Å; I1279-V1282 PolarHBondContact O-N 3.13Å; V1282-V1284 VanDerWaalsContact C-N 3.31Å; V1282-V1284 PolarHBondContact O-N 2.91Å; V1282-S1285 PolarHBondContact O-N 3.28Å; V1282-E1286 WeakPolarHBondContact O-CG 3.41Å; V1282-E1286 PolarHBondContact O-N 3.15Å
1283L83.8Confident76.5Confident101 Ų10172.8 Ų72.853%0.52940%0.399SS..Hα-helixtrans-61.6-36.8-180-73.1174.3000112.9I1279 T1280 L1287I1279-L1283 HydrophobicContact CG2-CD1 3.69Å; I1279-L1283 HydrophobicContact CG2-CG 4.18Å; I1279-L1283 VanDerWaalsContact O-CB 3.32Å; I1279-L1283 WeakPolarHBondContact O-CB 3.37Å; I1279-L1283 VanDerWaalsContact O-CG 3.25Å; I1279-L1283 WeakPolarHBondContact O-CG 3.49Å; I1279-L1283 PolarHBondContact O-N 3.1Å; T1280-L1283 PolarHBondContact O-N 3.44Å; L1283-L1287 WeakPolarHBondContact O-CB 3.42Å; L1283-L1287 VanDerWaalsContact O-CD1 3.29Å; L1283-L1287 WeakPolarHBondContact O-CD1 3.29Å; L1283-L1287 WeakPolarHBondContact O-CG 3.34Å; L1283-L1287 PolarHBondContact O-N 3.46Å
1284V79.4Confident74.9Confident26 Ų2676.2 Ų76.216%0.15842%0.419CS..Hα-helixtrans-72.4-40176.7166.80000110.7T1280 V1282 E1286 L1287 Q1288 L1295 L1298T1280-V1284 HydrophobicContact CG2-CG2 4.03Å; T1280-V1284 WeakPolarHBondContact O-CB 3.38Å; T1280-V1284 VanDerWaalsContact O-CG2 3.22Å; T1280-V1284 WeakPolarHBondContact O-CG2 3.44Å; T1280-V1284 PolarHBondContact O-N 3.2Å; V1282-V1284 VanDerWaalsContact C-N 3.31Å; V1282-V1284 PolarHBondContact O-N 2.91Å; V1284-E1286 PolarHBondContact O-N 2.86Å; V1284-L1287 CarbonylContact O-C 3.44Å; V1284-L1287 PolarHBondContact O-N 2.83Å; V1284-Q1288 HydrophobicContact CG1-CB 4.47Å; V1284-Q1288 WeakPolarHBondContact O-CB 3.49Å; V1284-Q1288 PolarHBondContact O-N 3.14Å; V1284-L1295 HydrophobicContact CG1-CB 4.04Å; V1284-L1295 HydrophobicContact CG1-CD1 3.8Å; V1284-L1295 HydrophobicContact CG1-CG 4.49Å; V1284-L1295 HydrophobicContact CG2-CD1 3.92Å; V1284-L1298 HydrophobicContact CB-CD1 3.88Å; V1284-L1298 HydrophobicContact CG1-CD1 4.06Å; V1284-L1298 HydrophobicContact CG2-CD1 3.77Å
1285S73.7Confident73.7Confident70 Ų7078.2 Ų78.249%0.4943%0.429SS..Hα-helixtrans-58.3-33.8177.2-61.20000112.7D1281 V1282 L1287D1281-S1285 WeakPolarHBondContact O-CB 3.42Å; D1281-S1285 PolarHBondContact O-N 3.42Å; D1281-S1285 PolarHBondContact O-OG 3.34Å; V1282-S1285 PolarHBondContact O-N 3.28Å; S1285-L1287 VanDerWaalsContact C-N 3.34Å
1286E77.3Confident72.5Confident144 Ų14478.9 Ų78.967%0.67344%0.437SS*.THydrogen-bonded Turntrans-83.7-1.8175.6-55.6-74.6160.400113.8V1282 V1284V1282-E1286 WeakPolarHBondContact O-CG 3.41Å; V1282-E1286 PolarHBondContact O-N 3.15Å; V1284-E1286 PolarHBondContact O-N 2.86Å
1287L73.3Confident71.8Confident120 Ų12081 Ų8163%0.62844%0.442SS*.THydrogen-bonded Turntrans-127.3-2.4-175.2-69.1174.8000114.3L1283 V1284 S1285 D1289 S1290L1283-L1287 WeakPolarHBondContact O-CB 3.42Å; L1283-L1287 VanDerWaalsContact O-CD1 3.29Å; L1283-L1287 WeakPolarHBondContact O-CD1 3.29Å; L1283-L1287 WeakPolarHBondContact O-CG 3.34Å; L1283-L1287 PolarHBondContact O-N 3.46Å; V1284-L1287 CarbonylContact O-C 3.44Å; V1284-L1287 PolarHBondContact O-N 2.83Å; S1285-L1287 VanDerWaalsContact C-N 3.34Å; L1287-D1289 PolarHBondContact O-N 3.39Å; L1287-S1290 PolarHBondContact O-OG 2.99Å
1288Q62.7Low71.3Confident82 Ų8281.3 Ų81.338%0.38344%0.442SS..THydrogen-bonded Turntrans-81.311.9-169.6-160.4167.4-33.200114.7V1284 S1290V1284-Q1288 HydrophobicContact CG1-CB 4.47Å; V1284-Q1288 WeakPolarHBondContact O-CB 3.49Å; V1284-Q1288 PolarHBondContact O-N 3.14Å; Q1288-S1290 PolarHBondContact O-N 2.91Å
1289D59Low70.9Confident169 Ų16986 Ų8690%0.90446%0.46SS*.THydrogen-bonded Turntrans-59.9-5.4165-73.4-15.3000113.4L1287L1287-D1289 PolarHBondContact O-N 3.39Å
1290S53.1Low70.5Confident77 Ų7786.2 Ų86.254%0.53846%0.461SS..SBendtrans-107.2116.7177.856.30000112.5L1287 Q1288 F1292L1287-S1290 PolarHBondContact O-OG 2.99Å; Q1288-S1290 PolarHBondContact O-N 2.91Å; S1290-F1292 PolarHBondContact O-N 2.85Å
1291S56Low70.4Confident123 Ų12386.1 Ų86.186%0.8646%0.456SS*.THydrogen-bonded Turntrans-70.112.1-159.4-330000117.7
1292F52.7Low70.3Confident180 Ų18087.7 Ų87.779%0.78946%0.461SS*.THydrogen-bonded Turntrans-93.1-18-160.8-99.4-83.9000116.7S1290S1290-F1292 PolarHBondContact O-N 2.85Å
1293L54.9Low70.2Confident115 Ų11586.8 Ų86.860%0.60246%0.457SS*.  trans-144.3116.7-179.6-66.2172.1000111.8L1295L1293-L1295 HydrophobicContact CB-CD1 4.2Å; L1293-L1295 HydrophobicContact CB-CD2 3.91Å; L1293-L1295 HydrophobicContact CB-CG 3.69Å; L1293-L1295 HydrophobicContact CD1-CD1 4.35Å; L1293-L1295 HydrophobicContact CD1-CD2 4.27Å; L1293-L1295 PolarHBondContact O-N 2.78Å
1294N56.6Low70.2Confident157 Ų15782.9 Ų82.984%0.8444%0.439SS*.  trans-74.774.6169.5-85.5-20.8000110.9G1296N1294-G1296 PolarHBondContact O-N 3.16Å
1295L63.8Low70.4Confident44 Ų4481.8 Ų81.823%0.2343%0.432CS..  trans-77.224.2-177.3-62.9179.7000114.3V1284 L1293 F1297 L1298V1284-L1295 HydrophobicContact CG1-CB 4.04Å; V1284-L1295 HydrophobicContact CG1-CD1 3.8Å; V1284-L1295 HydrophobicContact CG1-CG 4.49Å; V1284-L1295 HydrophobicContact CG2-CD1 3.92Å; L1293-L1295 HydrophobicContact CB-CD1 4.2Å; L1293-L1295 HydrophobicContact CB-CD2 3.91Å; L1293-L1295 HydrophobicContact CB-CG 3.69Å; L1293-L1295 HydrophobicContact CD1-CD1 4.35Å; L1293-L1295 HydrophobicContact CD1-CD2 4.27Å; L1293-L1295 PolarHBondContact O-N 2.78Å; L1295-F1297 HydrophobicContact CD2-CE1 3.65Å; L1295-F1297 HydrophobicContact CD2-CZ 4.3Å; L1295-F1297 PolarHBondContact O-N 3.48Å; L1295-L1298 HydrophobicContact CB-CD1 3.84Å; L1295-L1298 HydrophobicContact CB-CG 4.22Å; L1295-L1298 HydrophobicContact CD1-CD1 4.26Å; L1295-L1298 WeakPolarHBondContact O-CB 3.48Å; L1295-L1298 WeakPolarHBondContact O-CG 3.41Å; L1295-L1298 PolarHBondContact O-N 3.46Å
1296G67.1Low70.8Confident21 Ų2178.7 Ų78.722%0.21641%0.411CS..G310 helixtrans-56.5-20.7-178.400000114.6F246 N1294 L1298 R1299F246-G1296 WeakPolarHBondContact CE1-O 3.31Å; N1294-G1296 PolarHBondContact O-N 3.16Å; G1296-L1298 PolarHBondContact O-N 2.97Å; G1296-R1299 WeakPolarHBondContact O-CB 3.48Å; G1296-R1299 WeakPolarHBondContact O-CG 3.3Å; G1296-R1299 PolarHBondContact O-N 3.24Å
1297F75.1Confident71.1Confident108 Ų10874.4 Ų74.447%0.47439%0.392SS..G310 helixtrans-62.9-21.3173.179.5-95.4000113.9L1295 R1299 L1300 F1301L1295-F1297 HydrophobicContact CD2-CE1 3.65Å; L1295-F1297 HydrophobicContact CD2-CZ 4.3Å; L1295-F1297 PolarHBondContact O-N 3.48Å; F1297-R1299 PolarHBondContact O-N 3.13Å; F1297-L1300 HydrophobicContact CB-CD1 4.37Å; F1297-L1300 WeakPolarHBondContact O-CB 3.4Å; F1297-L1300 WeakPolarHBondContact O-CG 3.38Å; F1297-L1300 PolarHBondContact O-N 3.3Å; F1297-F1301 HydrophobicContact CE2-CE2 4.43Å
1298L79.9Confident71.5Confident11 Ų1169.3 Ų69.36%0.05836%0.364CS..G310 helixtrans-61-29.7178.9-68.1176.4000112.4T1280 D1281 V1284 L1295 G1296 L1300 F1301T1280-L1298 HydrophobicContact CG2-CD1 3.92Å; T1280-L1298 HydrophobicContact CG2-CD2 4.15Å; D1281-L1298 HydrophobicContact CB-CB 3.89Å; D1281-L1298 VanDerWaalsContact OD1-C 3.31Å; D1281-L1298 WeakPolarHBondContact OD1-CB 3.21Å; V1284-L1298 HydrophobicContact CB-CD1 3.88Å; V1284-L1298 HydrophobicContact CG1-CD1 4.06Å; V1284-L1298 HydrophobicContact CG2-CD1 3.77Å; L1295-L1298 HydrophobicContact CB-CD1 3.84Å; L1295-L1298 HydrophobicContact CB-CG 4.22Å; L1295-L1298 HydrophobicContact CD1-CD1 4.26Å; L1295-L1298 WeakPolarHBondContact O-CB 3.48Å; L1295-L1298 WeakPolarHBondContact O-CG 3.41Å; L1295-L1298 PolarHBondContact O-N 3.46Å; G1296-L1298 PolarHBondContact O-N 2.97Å; L1298-L1300 PolarHBondContact O-N 2.88Å; L1298-L1300 VanDerWaalsContact O-N 3.11Å; L1298-F1301 HydrophobicContact CD2-CD2 4.16Å; L1298-F1301 HydrophobicContact CD2-CE2 3.96Å; L1298-F1301 WeakPolarHBondContact O-CB 3.5Å; L1298-F1301 WeakPolarHBondContact O-CD2 3.22Å; L1298-F1301 PolarHBondContact O-N 2.98Å
1299R78.6Confident72.4Confident99 Ų9966.9 Ų66.937%0.37435%0.354SS..G310 helixtrans-56.3-28.4174.7-59.6177.6-176.2172.61112.5E245 D1281 G1296 F1297 F1301 R1302 A1303E245-R1299 PolarHBondContact O-NH1 3.13Å; E245-R1299 VanDerWaalsContact O-NH1 3.09Å; D1281-R1299 PolarHBondContact OD1-N 3.26Å; D1281-R1299 VanDerWaalsContact OD1-N 3.16Å; G1296-R1299 WeakPolarHBondContact O-CB 3.48Å; G1296-R1299 WeakPolarHBondContact O-CG 3.3Å; G1296-R1299 PolarHBondContact O-N 3.24Å; F1297-R1299 PolarHBondContact O-N 3.13Å; R1299-F1301 PolarHBondContact O-N 2.94Å; R1299-R1302 WeakPolarHBondContact O-CB 3.27Å; R1299-R1302 PolarHBondContact O-N 3.47Å; R1299-A1303 PolarHBondContact O-N 3.38Å
1300L81.2Confident73.3Confident69 Ų6960 Ų6036%0.36132%0.317SS..Hα-helixtrans-58.2-31.1174.9-68.4171000112.5V242 F246 F1297 L1298 R1302 A1303 A1304V242-L1300 HydrophobicContact CB-CD2 4.45Å; V242-L1300 HydrophobicContact CG1-CD2 3.73Å; V242-L1300 HydrophobicContact CG2-CD2 3.85Å; F246-L1300 HydrophobicContact CE2-CD2 3.87Å; F246-L1300 HydrophobicContact CE2-CG 4.14Å; F246-L1300 HydrophobicContact CZ-CD1 4.46Å; F246-L1300 HydrophobicContact CZ-CD2 4.38Å; F246-L1300 HydrophobicContact CZ-CG 4.14Å; F1297-L1300 HydrophobicContact CB-CD1 4.37Å; F1297-L1300 WeakPolarHBondContact O-CB 3.4Å; F1297-L1300 WeakPolarHBondContact O-CG 3.38Å; F1297-L1300 PolarHBondContact O-N 3.3Å; L1298-L1300 PolarHBondContact O-N 2.88Å; L1298-L1300 VanDerWaalsContact O-N 3.11Å; L1300-R1302 PolarHBondContact O-N 3.34Å; L1300-A1303 PolarHBondContact O-N 2.93Å; L1300-A1304 WeakPolarHBondContact O-CB 3.19Å; L1300-A1304 PolarHBondContact O-N 3.41Å
1301F84.9Confident74.5Confident55 Ų5560.4 Ų60.424%0.24131%0.307CS..Hα-helixtrans-67.6-22.2177.2-67-64.8000113I1273 T1274 F1297 L1298 R1299I1273-F1301 HydrophobicContact CG2-CD1 4.31Å; I1273-F1301 HydrophobicContact CG2-CE1 3.69Å; I1273-F1301 HydrophobicContact CG2-CZ 4.47Å; T1274-F1301 HydrophobicContact CG2-CD1 4.41Å; F1297-F1301 HydrophobicContact CE2-CE2 4.43Å; L1298-F1301 HydrophobicContact CD2-CD2 4.16Å; L1298-F1301 HydrophobicContact CD2-CE2 3.96Å; L1298-F1301 WeakPolarHBondContact O-CB 3.5Å; L1298-F1301 WeakPolarHBondContact O-CD2 3.22Å; L1298-F1301 PolarHBondContact O-N 2.98Å; R1299-F1301 PolarHBondContact O-N 2.94Å
1302R81.7Confident75.5Confident38 Ų3858.8 Ų58.814%0.14329%0.285CS..Hα-helixtrans-73.7-51.4170.4-52.9-165.7-65.8-134.616.7111E245 L1204 D1281 R1299 L1300 A1304 R1305E245-R1302 IonicContact OE1-CZ 3.19Å; E245-R1302 IonicContact OE1-NE 3.51Å; E245-R1302 PolarHBondContact OE1-NE 3.18Å; E245-R1302 IonicContact OE1-NH2 2.62Å; E245-R1302 PolarHBondContact OE1-NH2 2.85Å; E245-R1302 IonicContact OE2-NH2 3.23Å; L1204-R1302 HydrophobicContact CD2-CB 4.41Å; D1281-R1302 IonicContact OD1-NH1 2.84Å; D1281-R1302 WeakPolarHBondContact OD2-CD 3.24Å; D1281-R1302 WeakPolarHBondContact OD2-CG 3.25Å; D1281-R1302 IonicContact OD2-CZ 3.61Å; D1281-R1302 IonicContact OD2-NE 3.67Å; D1281-R1302 IonicContact OD2-NH1 2.62Å; D1281-R1302 PolarHBondContact OD2-NH1 2.77Å; R1299-R1302 WeakPolarHBondContact O-CB 3.27Å; R1299-R1302 PolarHBondContact O-N 3.47Å; L1300-R1302 PolarHBondContact O-N 3.34Å; R1302-A1304 VanDerWaalsContact C-N 3.31Å; R1302-A1304 PolarHBondContact O-N 3.43Å; R1302-R1305 VanDerWaalsContact O-CB 3.3Å; R1302-R1305 WeakPolarHBondContact O-CB 3.32Å; R1302-R1305 WeakPolarHBondContact O-CD 3.1Å; R1302-R1305 VanDerWaalsContact O-CG 3.24Å; R1302-R1305 WeakPolarHBondContact O-CG 3.46Å; R1302-R1305 PolarHBondContact O-N 3.31Å
1303A78.8Confident76.6Confident13 Ų1351.4 Ų51.411%0.10726%0.26CS..Hα-helixtrans-61.6-38.8178.600000112.4I241 V242 R1299 L1300 R1305 L1306I241-A1303 HydrophobicContact CG2-CB 4.01Å; V242-A1303 HydrophobicContact CG2-CB 4.15Å; R1299-A1303 PolarHBondContact O-N 3.38Å; L1300-A1303 PolarHBondContact O-N 2.93Å; A1303-R1305 PolarHBondContact O-N 3.26Å; A1303-L1306 WeakPolarHBondContact O-CB 3.42Å; A1303-L1306 PolarHBondContact O-N 2.68Å; A1303-L1306 VanDerWaalsContact O-N 3.11Å
1304A84.8Confident77.6Confident19 Ų1950.4 Ų50.416%0.15725%0.249CC..G310 helixtrans-53.8-27.2176.900000113.5F1270 T1274 L1300 R1302 L1306 I1307F1270-A1304 WeakPolarHBondContact CE1-O 3.12Å; F1270-A1304 HydrophobicContact CE2-CB 4.17Å; F1270-A1304 HydrophobicContact CZ-CB 3.76Å; F1270-A1304 WeakPolarHBondContact CZ-O 3.38Å; T1274-A1304 HydrophobicContact CG2-CB 3.68Å; L1300-A1304 WeakPolarHBondContact O-CB 3.19Å; L1300-A1304 PolarHBondContact O-N 3.41Å; R1302-A1304 VanDerWaalsContact C-N 3.31Å; R1302-A1304 PolarHBondContact O-N 3.43Å; A1304-L1306 PolarHBondContact O-N 3.3Å; A1304-L1306 VanDerWaalsContact O-N 3.1Å; A1304-I1307 WeakPolarHBondContact O-CB 3.41Å; A1304-I1307 PolarHBondContact O-N 2.99Å
1305R83.9Confident78.4Confident3 Ų345.8 Ų45.81%0.01123%0.227CC..G310 helixtrans-52.7-34.4176.5-63.6173.6-175.1-175.6-0112.9N1200 T1243 S1278 R1302 A1303 I1307 K1308N1200-R1305 PolarHBondContact OD1-NH1 3.07Å; T1243-R1305 PolarHBondContact OG1-NH1 3.09Å; T1243-R1305 PolarHBondContact OG1-NH2 3Å; S1278-R1305 PolarHBondContact OG-NH2 2.87Å; R1302-R1305 VanDerWaalsContact O-CB 3.3Å; R1302-R1305 WeakPolarHBondContact O-CB 3.32Å; R1302-R1305 WeakPolarHBondContact O-CD 3.1Å; R1302-R1305 VanDerWaalsContact O-CG 3.24Å; R1302-R1305 WeakPolarHBondContact O-CG 3.46Å; R1302-R1305 PolarHBondContact O-N 3.31Å; A1303-R1305 PolarHBondContact O-N 3.26Å; R1305-I1307 PolarHBondContact O-N 3.39Å; R1305-K1308 VanDerWaalsContact O-CB 3.29Å; R1305-K1308 WeakPolarHBondContact O-CB 3.33Å; R1305-K1308 PolarHBondContact O-N 3.19Å; R1305-K1308 VanDerWaalsContact O-N 3.1Å
1306L81.8Confident78.9Confident6 Ų645.7 Ų45.73%0.03123%0.226CC..G310 helixtrans-57.9-33.3177.8-174.7101.2000112.4F234 L237 I238 T1201 A1303 A1304 K1308 L1309F234-L1306 HydrophobicContact CD2-CD2 4.2Å; F234-L1306 HydrophobicContact CE1-CD2 4.13Å; F234-L1306 HydrophobicContact CE2-CD1 4.31Å; F234-L1306 HydrophobicContact CE2-CD2 3.53Å; F234-L1306 HydrophobicContact CE2-CG 3.73Å; F234-L1306 HydrophobicContact CZ-CD2 3.49Å; F234-L1306 VanDerWaalsContact CZ-CD2 3.49Å; F234-L1306 HydrophobicContact CZ-CG 3.82Å; L237-L1306 HydrophobicContact CD2-CD1 3.55Å; L237-L1306 HydrophobicContact CD2-CD2 3.54Å; L237-L1306 HydrophobicContact CD2-CG 4.21Å; I238-L1306 HydrophobicContact CD1-CD2 4.04Å; I238-L1306 HydrophobicContact CG1-CD2 3.3Å; T1201-L1306 HydrophobicContact CG2-CB 3.83Å; T1201-L1306 HydrophobicContact CG2-CD1 3.53Å; T1201-L1306 HydrophobicContact CG2-CG 4.26Å; A1303-L1306 WeakPolarHBondContact O-CB 3.42Å; A1303-L1306 PolarHBondContact O-N 2.68Å; A1303-L1306 VanDerWaalsContact O-N 3.11Å; A1304-L1306 PolarHBondContact O-N 3.3Å; A1304-L1306 VanDerWaalsContact O-N 3.1Å; L1306-K1308 PolarHBondContact O-N 3.49Å; L1306-L1309 HydrophobicContact CD1-CD1 3.92Å; L1306-L1309 HydrophobicContact CG-CD1 4.28Å; L1306-L1309 VanDerWaalsContact O-CB 3.29Å; L1306-L1309 WeakPolarHBondContact O-CB 3.37Å; L1306-L1309 WeakPolarHBondContact O-CG 3.45Å; L1306-L1309 PolarHBondContact O-N 3.04Å
1307I83.4Confident79.6Confident54 Ų5448.7 Ų48.728%0.27723%0.231SC..G310 helixtrans-60.7-22.3-179.9-60.7179000111.3I238 W1267 F1270 A1304 R1305 L1309 I1310I238-I1307 HydrophobicContact CD1-CG1 4.25Å; W1267-I1307 HydrophobicContact CH2-CG2 3.98Å; W1267-I1307 VanDerWaalsContact CH2-O 3.25Å; W1267-I1307 WeakPolarHBondContact CH2-O 3.36Å; W1267-I1307 HydrophobicContact CZ3-CG2 4.1Å; F1270-I1307 HydrophobicContact CE1-CB 3.71Å; F1270-I1307 HydrophobicContact CE1-CG2 4Å; F1270-I1307 HydrophobicContact CE2-CD1 4.48Å; F1270-I1307 HydrophobicContact CZ-CB 3.61Å; F1270-I1307 HydrophobicContact CZ-CD1 3.95Å; F1270-I1307 HydrophobicContact CZ-CG1 4.21Å; F1270-I1307 HydrophobicContact CZ-CG2 3.92Å; A1304-I1307 WeakPolarHBondContact O-CB 3.41Å; A1304-I1307 PolarHBondContact O-N 2.99Å; R1305-I1307 PolarHBondContact O-N 3.39Å; I1307-L1309 PolarHBondContact O-N 2.82Å; I1307-I1310 HydrophobicContact CB-CD1 4.44Å; I1307-I1310 HydrophobicContact CG2-CD1 3.84Å; I1307-I1310 WeakPolarHBondContact O-CB 3.38Å; I1307-I1310 WeakPolarHBondContact O-CG1 3.29Å; I1307-I1310 PolarHBondContact O-N 3.1Å
1308K82.1Confident79.7Confident12 Ų1245.1 Ų45.15%0.05222%0.216CC..G310 helixtrans-57-30.9169.6-70.6-173.6175.7-176.20112.7I1197 E1249 D1271 R1305 L1306 I1310 R1311I1197-K1308 HydrophobicContact CD1-CB 3.82Å; I1197-K1308 HydrophobicContact CD1-CD 3.4Å; I1197-K1308 VanDerWaalsContact CD1-CD 3.4Å; I1197-K1308 HydrophobicContact CD1-CG 4.27Å; I1197-K1308 HydrophobicContact CG1-CD 4.03Å; E1249-K1308 IonicContact OE1-NZ 2.69Å; E1249-K1308 IonicContact OE2-NZ 3.48Å; E1249-K1308 PolarHBondContact OE2-NZ 3.17Å; D1271-K1308 VanDerWaalsContact CG-CE 3.43Å; D1271-K1308 WeakPolarHBondContact OD1-CE 3.13Å; D1271-K1308 IonicContact OD1-NZ 2.83Å; D1271-K1308 PolarHBondContact OD1-NZ 3.11Å; D1271-K1308 IonicContact OD2-NZ 2.79Å; D1271-K1308 PolarHBondContact OD2-NZ 3.06Å; R1305-K1308 VanDerWaalsContact O-CB 3.29Å; R1305-K1308 WeakPolarHBondContact O-CB 3.33Å; R1305-K1308 PolarHBondContact O-N 3.19Å; R1305-K1308 VanDerWaalsContact O-N 3.1Å; L1306-K1308 PolarHBondContact O-N 3.49Å; K1308-I1310 VanDerWaalsContact C-N 3.31Å; K1308-I1310 PolarHBondContact O-N 3.41Å; K1308-R1311 VanDerWaalsContact O-CB 3.25Å; K1308-R1311 WeakPolarHBondContact O-CB 3.26Å; K1308-R1311 VanDerWaalsContact O-CG 3.26Å; K1308-R1311 WeakPolarHBondContact O-CG 2.85Å; K1308-R1311 PolarHBondContact O-N 3.22Å
1309L81.1Confident79.3Confident32 Ų3245.4 Ų45.417%0.16822%0.218CC..G310 helixtrans-67-28.3-178.1-61.3178.5000112.9F234 I1197 L1306 I1307 R1311 Q1312F234-L1309 HydrophobicContact CE2-CB 4.26Å; I1197-L1309 HydrophobicContact CB-CD2 4.19Å; I1197-L1309 HydrophobicContact CG2-CD1 4.41Å; I1197-L1309 HydrophobicContact CG2-CD2 3.76Å; I1197-L1309 HydrophobicContact CG2-CG 3.87Å; L1306-L1309 HydrophobicContact CD1-CD1 3.92Å; L1306-L1309 HydrophobicContact CG-CD1 4.28Å; L1306-L1309 VanDerWaalsContact O-CB 3.29Å; L1306-L1309 WeakPolarHBondContact O-CB 3.37Å; L1306-L1309 WeakPolarHBondContact O-CG 3.45Å; L1306-L1309 PolarHBondContact O-N 3.04Å; I1307-L1309 PolarHBondContact O-N 2.82Å; L1309-R1311 PolarHBondContact O-N 3.14Å; L1309-Q1312 PolarHBondContact O-N 2.65Å; L1309-Q1312 PolarHBondContact O-OE1 2.82Å
1310I78.4Confident79.1Confident25 Ų2542.5 Ų42.513%0.12821%0.21CC..G310 helixtrans-55.3-24.6175.7-51.1177.3000111.4F234 I1307 K1308 Q1312 G1313 L1320F234-I1310 HydrophobicContact CD1-CG1 4.39Å; F234-I1310 HydrophobicContact CE1-CD1 3.67Å; F234-I1310 HydrophobicContact CE1-CG1 3.43Å; F234-I1310 VanDerWaalsContact CE1-CG1 3.43Å; F234-I1310 HydrophobicContact CZ-CD1 4.22Å; F234-I1310 HydrophobicContact CZ-CG1 3.58Å; I1307-I1310 HydrophobicContact CB-CD1 4.44Å; I1307-I1310 HydrophobicContact CG2-CD1 3.84Å; I1307-I1310 WeakPolarHBondContact O-CB 3.38Å; I1307-I1310 WeakPolarHBondContact O-CG1 3.29Å; I1307-I1310 PolarHBondContact O-N 3.1Å; K1308-I1310 VanDerWaalsContact C-N 3.31Å; K1308-I1310 PolarHBondContact O-N 3.41Å; I1310-Q1312 PolarHBondContact O-N 3.04Å; I1310-G1313 PolarHBondContact O-N 3.37Å; I1310-L1320 HydrophobicContact CD1-CD2 4.36Å; I1310-L1320 HydrophobicContact CG2-CD2 4.28Å
1311R76.8Confident79Confident84 Ų8443.5 Ų43.532%0.31721%0.209SC..G310 helixtrans-55.5-36.3176.6-71.6178.255157-7.6113.8E1190 W1267 K1308 L1309 R1317E1190-R1311 IonicContact OE1-NH2 2.77Å; W1267-R1311 HydrophobicContact CD2-CG 3.99Å; W1267-R1311 HydrophobicContact CH2-CG 4.11Å; W1267-R1311 HydrophobicContact CZ2-CG 3.47Å; W1267-R1311 VanDerWaalsContact CZ2-CG 3.47Å; K1308-R1311 VanDerWaalsContact O-CB 3.25Å; K1308-R1311 WeakPolarHBondContact O-CB 3.26Å; K1308-R1311 VanDerWaalsContact O-CG 3.26Å; K1308-R1311 WeakPolarHBondContact O-CG 2.85Å; K1308-R1311 PolarHBondContact O-N 3.22Å; L1309-R1311 PolarHBondContact O-N 3.14Å; R1311-R1317 PolarHBondContact O-NH1 2.86Å
1312Q77.5Confident78.3Confident89 Ų8942.2 Ų42.242%0.41621%0.205SC..THydrogen-bonded Turntrans-76.7-42.2-173.3-65.9136.817.600111.7M1194 L1309 I1310 Y1314M1194-Q1312 HydrophobicContact CE-CG 4.35Å; M1194-Q1312 VanDerWaalsContact CG-NE2 3.28Å; M1194-Q1312 HydrophobicContact SD-CG 3.98Å; M1194-Q1312 PolarHBondContact SD-NE2 3.5Å; M1194-Q1312 VanDerWaalsContact SD-NE2 3.38Å; L1309-Q1312 PolarHBondContact O-N 2.65Å; L1309-Q1312 PolarHBondContact O-OE1 2.82Å; I1310-Q1312 PolarHBondContact O-N 3.04Å; Q1312-Y1314 VanDerWaalsContact C-N 3.33Å; Q1312-Y1314 PolarHBondContact O-N 3.39Å
1313G75.1Confident77.7Confident25 Ų2541 Ų4126%0.25820%0.201SC..  trans-71.481.8178.100000111.9I1310 T1315 I1316 R1317I1310-G1313 PolarHBondContact O-N 3.37Å; G1313-T1315 VanDerWaalsContact C-N 3.29Å; G1313-T1315 PolarHBondContact O-N 2.78Å; G1313-I1316 PolarHBondContact O-N 2.82Å; G1313-I1316 VanDerWaalsContact O-N 3.08Å; G1313-R1317 WeakPolarHBondContact O-CB 3.1Å; G1313-R1317 PolarHBondContact O-N 3.05Å
1314Y77Confident77.6Confident94 Ų9441.5 Ų41.537%0.36920%0.202SC..Hα-helixtrans-47.7-49.7-179.8177.1-99.6000112.4Q1312 R1317 I1318Q1312-Y1314 VanDerWaalsContact C-N 3.33Å; Q1312-Y1314 PolarHBondContact O-N 3.39Å; Y1314-R1317 PolarHBondContact O-N 3.08Å; Y1314-I1318 HydrophobicContact CD1-CD1 4.02Å; Y1314-I1318 HydrophobicContact CD2-CD1 4.29Å; Y1314-I1318 HydrophobicContact CE1-CD1 3.48Å; Y1314-I1318 VanDerWaalsContact CE1-CD1 3.48Å; Y1314-I1318 HydrophobicContact CE2-CD1 3.78Å; Y1314-I1318 HydrophobicContact CG-CD1 4.4Å; Y1314-I1318 WeakPolarHBondContact O-CG1 3.13Å; Y1314-I1318 PolarHBondContact O-N 2.82Å
1315T74Confident77Confident61 Ų6145.8 Ų45.837%0.37422%0.218SC..Hα-helixtrans-65.2-45.2178.6-40.90000112.4G1313 R1317 I1318 L1319G1313-T1315 VanDerWaalsContact C-N 3.29Å; G1313-T1315 PolarHBondContact O-N 2.78Å; T1315-R1317 VanDerWaalsContact C-N 3.32Å; T1315-R1317 PolarHBondContact O-N 3.1Å; T1315-I1318 PolarHBondContact O-N 3.49Å; T1315-L1319 WeakPolarHBondContact O-CB 3.47Å; T1315-L1319 PolarHBondContact O-N 2.97Å
1316I74.1Confident76.5Confident41 Ų4146 Ų4621%0.2122%0.22CC..Hα-helixtrans-60.7-43.6177.8-57.3176.2000110.1I230 L231 G1313 L1319 L1320I230-I1316 HydrophobicContact CG2-CD1 3.81Å; L231-I1316 HydrophobicContact CB-CG2 4.37Å; L231-I1316 HydrophobicContact CD1-CG2 3.92Å; G1313-I1316 PolarHBondContact O-N 2.82Å; G1313-I1316 VanDerWaalsContact O-N 3.08Å; I1316-L1319 PolarHBondContact O-N 3.41Å; I1316-L1320 WeakPolarHBondContact O-CB 3.49Å; I1316-L1320 PolarHBondContact O-N 3.1Å
1317R80.5Confident76Confident85 Ų8549.9 Ų49.932%0.32124%0.237SC..Hα-helixtrans-64.9-42.9178.7-171.4-174.974.7-146.58.2112.3R1311 G1313 Y1314 T1315 W1321R1311-R1317 PolarHBondContact O-NH1 2.86Å; G1313-R1317 WeakPolarHBondContact O-CB 3.1Å; G1313-R1317 PolarHBondContact O-N 3.05Å; Y1314-R1317 PolarHBondContact O-N 3.08Å; T1315-R1317 VanDerWaalsContact C-N 3.32Å; T1315-R1317 PolarHBondContact O-N 3.1Å; R1317-W1321 WeakPolarHBondContact O-CB 3.27Å; R1317-W1321 PolarHBondContact O-N 3.39Å
1318I77.3Confident75.3Confident32 Ų3253 Ų5316%0.16425%0.248CC..Hα-helixtrans-66.9-48.9176-68.9176000110Y1314 T1315 L1320 W1321 T1322 Y1440Y1314-I1318 HydrophobicContact CD1-CD1 4.02Å; Y1314-I1318 HydrophobicContact CD2-CD1 4.29Å; Y1314-I1318 HydrophobicContact CE1-CD1 3.48Å; Y1314-I1318 VanDerWaalsContact CE1-CD1 3.48Å; Y1314-I1318 HydrophobicContact CE2-CD1 3.78Å; Y1314-I1318 HydrophobicContact CG-CD1 4.4Å; Y1314-I1318 WeakPolarHBondContact O-CG1 3.13Å; Y1314-I1318 PolarHBondContact O-N 2.82Å; T1315-I1318 PolarHBondContact O-N 3.49Å; I1318-L1320 PolarHBondContact O-N 3.14Å; I1318-W1321 CarbonylContact O-C 3.58Å; I1318-W1321 PolarHBondContact O-N 3.46Å; I1318-W1321 VanDerWaalsContact O-N 3.09Å; I1318-T1322 HydrophobicContact CG2-CG2 4.38Å; I1318-T1322 PolarHBondContact O-N 3.28Å; I1318-T1322 PolarHBondContact O-OG1 3.31Å; I1318-Y1440 HydrophobicContact CG2-CE2 3.73Å; I1318-Y1440 VanDerWaalsContact CG2-OH 3.28Å; I1318-Y1440 WeakPolarHBondContact CG2-OH 3.49Å
1319L72.4Confident74.5Confident17 Ų1755 Ų559%0.08927%0.267CS..Hα-helixtrans-57-46.8179.5172.1158.1000112L231 L365 T1315 I1316 T1322 F1323L231-L1319 HydrophobicContact CD2-CD2 3.59Å; L365-L1319 HydrophobicContact CD1-CD1 4.03Å; L365-L1319 HydrophobicContact CD1-CD2 3.69Å; L365-L1319 HydrophobicContact CD1-CG 3.78Å; L365-L1319 HydrophobicContact CD2-CD1 4.3Å; L365-L1319 HydrophobicContact CD2-CD2 3.66Å; L365-L1319 HydrophobicContact CD2-CG 4.41Å; L365-L1319 HydrophobicContact CG-CD2 4.3Å; T1315-L1319 WeakPolarHBondContact O-CB 3.47Å; T1315-L1319 PolarHBondContact O-N 2.97Å; I1316-L1319 PolarHBondContact O-N 3.41Å; L1319-T1322 WeakPolarHBondContact CA-OG1 3.27Å; L1319-T1322 PolarHBondContact O-N 3.15Å; L1319-T1322 PolarHBondContact O-OG1 3.34Å; L1319-F1323 PolarHBondContact O-N 3.34Å
1320L73.4Confident73.9Confident39 Ų3953.5 Ų53.520%0.20426%0.259CS..Hα-helixtrans-64.9-40.2175.2-177.264.6000111.4I1310 I1316 I1318 F1323 I1324I1310-L1320 HydrophobicContact CD1-CD2 4.36Å; I1310-L1320 HydrophobicContact CG2-CD2 4.28Å; I1316-L1320 WeakPolarHBondContact O-CB 3.49Å; I1316-L1320 PolarHBondContact O-N 3.1Å; I1318-L1320 PolarHBondContact O-N 3.14Å; L1320-F1323 PolarHBondContact O-N 2.74Å; L1320-I1324 HydrophobicContact CD1-CD1 4.06Å; L1320-I1324 HydrophobicContact CD1-CG1 4.45Å; L1320-I1324 HydrophobicContact CG-CD1 3.85Å; L1320-I1324 WeakPolarHBondContact O-CB 3.48Å; L1320-I1324 VanDerWaalsContact O-CG1 3.28Å; L1320-I1324 WeakPolarHBondContact O-CG1 3.4Å; L1320-I1324 PolarHBondContact O-N 2.93Å
1321W80Confident73.8Confident90 Ų9055.3 Ų55.334%0.34127%0.273SS..Hα-helixtrans-66.4-42.6176.4179.6-89.5000112.7R1317 I1318 F1323 I1324 Q1325 Y1805R1317-W1321 WeakPolarHBondContact O-CB 3.27Å; R1317-W1321 PolarHBondContact O-N 3.39Å; I1318-W1321 CarbonylContact O-C 3.58Å; I1318-W1321 PolarHBondContact O-N 3.46Å; I1318-W1321 VanDerWaalsContact O-N 3.09Å; W1321-F1323 VanDerWaalsContact C-N 3.31Å; W1321-F1323 PolarHBondContact O-N 2.69Å; W1321-I1324 PolarHBondContact O-N 3.45Å; W1321-Q1325 WeakPolarHBondContact O-CB 3.49Å; W1321-Q1325 PolarHBondContact O-N 3.48Å; W1321-Y1805 HydrophobicContact CZ3-CE2 4.43Å
1322T69.9Low73.8Confident27 Ų2754.8 Ų54.817%0.16627%0.271CS..Hα-helixtrans-60.4-42.6174.541.10000110.7I1318 L1319 Q1325 S1326 N1437 Y1440I1318-T1322 HydrophobicContact CG2-CG2 4.38Å; I1318-T1322 PolarHBondContact O-N 3.28Å; I1318-T1322 PolarHBondContact O-OG1 3.31Å; L1319-T1322 WeakPolarHBondContact CA-OG1 3.27Å; L1319-T1322 PolarHBondContact O-N 3.15Å; L1319-T1322 PolarHBondContact O-OG1 3.34Å; T1322-Q1325 WeakPolarHBondContact O-CB 3.41Å; T1322-Q1325 PolarHBondContact O-N 3.49Å; T1322-S1326 PolarHBondContact O-N 3.1Å; T1322-S1326 PolarHBondContact O-OG 3.12Å; T1322-S1326 VanDerWaalsContact O-OG 3.13Å; T1322-N1437 PolarHBondContact O-OD1 3.49Å; T1322-Y1440 HydrophobicContact CG2-CD1 4.32Å; T1322-Y1440 HydrophobicContact CG2-CD2 4.39Å; T1322-Y1440 HydrophobicContact CG2-CG 4.23Å
1323F70.2Confident73.8Confident12 Ų1251.1 Ų51.15%0.05326%0.255CS..Hα-helixtrans-64.3-49.4176-149.4-69.2000112.2L361 N364 L365 L1319 L1320 W1321 Q1325 S1326 F1327 V1433L361-F1323 HydrophobicContact CD1-CB 4.38Å; L361-F1323 HydrophobicContact CD1-CD1 3.29Å; L361-F1323 HydrophobicContact CD1-CD2 3.66Å; L361-F1323 HydrophobicContact CD1-CE1 3.31Å; L361-F1323 HydrophobicContact CD1-CE2 3.66Å; L361-F1323 HydrophobicContact CD1-CG 3.47Å; L361-F1323 VanDerWaalsContact CD1-CG 3.47Å; L361-F1323 HydrophobicContact CD1-CZ 3.48Å; L361-F1323 VanDerWaalsContact CD1-CZ 3.48Å; N364-F1323 HydrophobicContact CB-CE2 3.65Å; N364-F1323 HydrophobicContact CB-CZ 3.51Å; L365-F1323 HydrophobicContact CB-CE2 4.43Å; L365-F1323 HydrophobicContact CD1-CD2 4.03Å; L1319-F1323 PolarHBondContact O-N 3.34Å; L1320-F1323 PolarHBondContact O-N 2.74Å; W1321-F1323 VanDerWaalsContact C-N 3.31Å; W1321-F1323 PolarHBondContact O-N 2.69Å; F1323-Q1325 PolarHBondContact O-N 3Å; F1323-S1326 WeakPolarHBondContact CA-OG 3.49Å; F1323-S1326 PolarHBondContact O-N 3.48Å; F1323-S1326 VanDerWaalsContact O-N 3.14Å; F1323-S1326 PolarHBondContact O-OG 2.93Å; F1323-F1327 AromaticContact CD1-CD2 3.74Å; F1323-F1327 HydrophobicContact CD1-CD2 3.74Å; F1323-F1327 AromaticContact CD1-CE2 3.52Å; F1323-F1327 HydrophobicContact CD1-CE2 3.52Å; F1323-F1327 HydrophobicContact CD1-CZ 4.22Å; F1323-F1327 AromaticContact CE1-CD2 3.99Å; F1323-F1327 HydrophobicContact CE1-CD2 3.99Å; F1323-F1327 HydrophobicContact CE1-CE1 4.37Å; F1323-F1327 AromaticContact CE1-CE2 3.48Å; F1323-F1327 HydrophobicContact CE1-CE2 3.48Å; F1323-F1327 VanDerWaalsContact CE1-CE2 3.48Å; F1323-F1327 AromaticContact CE1-CZ 3.69Å; F1323-F1327 HydrophobicContact CE1-CZ 3.69Å; F1323-F1327 PolarHBondContact O-N 3.33Å; F1323-V1433 HydrophobicContact CD1-CG1 4.48Å; F1323-V1433 HydrophobicContact CE1-CG1 3.88Å; F1323-V1433 HydrophobicContact CE2-CG1 3.95Å; F1323-V1433 HydrophobicContact CZ-CB 4.44Å; F1323-V1433 HydrophobicContact CZ-CG1 3.6Å
1324I76.7Confident74Confident25 Ų2551.9 Ų51.913%0.12826%0.256CS..Hα-helixtrans-59.8-29.5174-71171.1000112.1L1320 W1321 K1328 Y1803L1320-I1324 HydrophobicContact CD1-CD1 4.06Å; L1320-I1324 HydrophobicContact CD1-CG1 4.45Å; L1320-I1324 HydrophobicContact CG-CD1 3.85Å; L1320-I1324 WeakPolarHBondContact O-CB 3.48Å; L1320-I1324 VanDerWaalsContact O-CG1 3.28Å; L1320-I1324 WeakPolarHBondContact O-CG1 3.4Å; L1320-I1324 PolarHBondContact O-N 2.93Å; W1321-I1324 PolarHBondContact O-N 3.45Å; I1324-K1328 WeakPolarHBondContact O-CE 3.03Å; I1324-Y1803 HydrophobicContact CD1-CE1 4.14Å; I1324-Y1803 HydrophobicContact CD1-CE2 4.23Å; I1324-Y1803 HydrophobicContact CG2-CD2 3.46Å; I1324-Y1803 VanDerWaalsContact CG2-CD2 3.46Å; I1324-Y1803 HydrophobicContact CG2-CE2 3.66Å; I1324-Y1803 HydrophobicContact CG2-CG 4.05Å
1325Q72.3Confident74.1Confident109 Ų10950.9 Ų50.951%0.50926%0.257SS..Hα-helixtrans-73.5-41.8175.5-175.4166.7-53.800111.9W1321 T1322 F1323 K1328W1321-Q1325 WeakPolarHBondContact O-CB 3.49Å; W1321-Q1325 PolarHBondContact O-N 3.48Å; T1322-Q1325 WeakPolarHBondContact O-CB 3.41Å; T1322-Q1325 PolarHBondContact O-N 3.49Å; F1323-Q1325 PolarHBondContact O-N 3Å; Q1325-K1328 VanDerWaalsContact O-CB 3.24Å; Q1325-K1328 WeakPolarHBondContact O-CB 3.5Å; Q1325-K1328 PolarHBondContact O-N 2.9Å; Q1325-K1328 VanDerWaalsContact O-N 3.15Å
1326S71.9Confident74.5Confident6 Ų648.5 Ų48.54%0.04224%0.242CC..Hα-helixtrans-67.1-33.7174.846.90000113.6T1322 F1323 K1328 A1329 L1330 V1433 N1437T1322-S1326 PolarHBondContact O-N 3.1Å; T1322-S1326 PolarHBondContact O-OG 3.12Å; T1322-S1326 VanDerWaalsContact O-OG 3.13Å; F1323-S1326 WeakPolarHBondContact CA-OG 3.49Å; F1323-S1326 PolarHBondContact O-N 3.48Å; F1323-S1326 VanDerWaalsContact O-N 3.14Å; F1323-S1326 PolarHBondContact O-OG 2.93Å; S1326-K1328 PolarHBondContact O-N 3.49Å; S1326-A1329 WeakPolarHBondContact O-CB 3.47Å; S1326-A1329 PolarHBondContact O-N 3.36Å; S1326-L1330 WeakPolarHBondContact O-CG 3.42Å; S1326-L1330 PolarHBondContact O-N 3.44Å; S1326-V1433 WeakPolarHBondContact OG-CG1 3.26Å; S1326-N1437 WeakPolarHBondContact CB-ND2 3.35Å; S1326-N1437 PolarHBondContact OG-ND2 3.43Å
1327F71.1Confident74.9Confident88 Ų8847.4 Ų47.439%0.38624%0.236SC..THydrogen-bonded Turntrans-52-20.2168.4-88-55.3000114.3F1323 L1330F1323-F1327 AromaticContact CD1-CD2 3.74Å; F1323-F1327 HydrophobicContact CD1-CD2 3.74Å; F1323-F1327 AromaticContact CD1-CE2 3.52Å; F1323-F1327 HydrophobicContact CD1-CE2 3.52Å; F1323-F1327 HydrophobicContact CD1-CZ 4.22Å; F1323-F1327 AromaticContact CE1-CD2 3.99Å; F1323-F1327 HydrophobicContact CE1-CD2 3.99Å; F1323-F1327 HydrophobicContact CE1-CE1 4.37Å; F1323-F1327 AromaticContact CE1-CE2 3.48Å; F1323-F1327 HydrophobicContact CE1-CE2 3.48Å; F1323-F1327 VanDerWaalsContact CE1-CE2 3.48Å; F1323-F1327 AromaticContact CE1-CZ 3.69Å; F1323-F1327 HydrophobicContact CE1-CZ 3.69Å; F1323-F1327 PolarHBondContact O-N 3.33Å; F1327-L1330 HydrophobicContact CD1-CD1 3.94Å; F1327-L1330 HydrophobicContact CE1-CD1 4.44Å
1328K70.2Confident75Confident119 Ų11947.9 Ų47.952%0.51725%0.249SC..THydrogen-bonded Turntrans-78.5-19.3176.4-56.2168.1-173.6168.80113.6I1324 Q1325 S1326 P1331I1324-K1328 WeakPolarHBondContact O-CE 3.03Å; Q1325-K1328 VanDerWaalsContact O-CB 3.24Å; Q1325-K1328 WeakPolarHBondContact O-CB 3.5Å; Q1325-K1328 PolarHBondContact O-N 2.9Å; Q1325-K1328 VanDerWaalsContact O-N 3.15Å; S1326-K1328 PolarHBondContact O-N 3.49Å; K1328-P1331 WeakPolarHBondContact O-CD 3.48Å
1329A65.1Low75.3Confident54 Ų5447.1 Ų47.145%0.44624%0.244SC..THydrogen-bonded Turntrans-89.4-27.4173.200000112.5S1326 P1331 D1436S1326-A1329 WeakPolarHBondContact O-CB 3.47Å; S1326-A1329 PolarHBondContact O-N 3.36Å; A1329-P1331 WeakPolarHBondContact O-CD 3.41Å; A1329-D1436 WeakPolarHBondContact CB-OD2 3.45Å
1330L67.3Low76Confident2 Ų247.5 Ų47.51%0.0125%0.246CC..THydrogen-bonded Turntrans-78.8-8.2-175.9-56173.4000118.9S1326 F1327 Y1332 V1333 C1334 L1429 A1432 V1433S1326-L1330 WeakPolarHBondContact O-CG 3.42Å; S1326-L1330 PolarHBondContact O-N 3.44Å; F1327-L1330 HydrophobicContact CD1-CD1 3.94Å; F1327-L1330 HydrophobicContact CE1-CD1 4.44Å; L1330-Y1332 PolarHBondContact O-N 3.47Å; L1330-V1333 HydrophobicContact CD2-CG2 4.45Å; L1330-V1333 WeakPolarHBondContact O-CA 3.38Å; L1330-V1333 PolarHBondContact O-N 2.88Å; L1330-C1334 PolarHBondContact O-N 3.26Å; L1330-L1429 HydrophobicContact CB-CD1 4.17Å; L1330-L1429 HydrophobicContact CD1-CD1 4.1Å; L1330-L1429 HydrophobicContact CD2-CD1 4.13Å; L1330-L1429 HydrophobicContact CG-CD1 4.35Å; L1330-A1432 HydrophobicContact CD2-CB 3.94Å; L1330-V1433 HydrophobicContact CD1-CB 4.11Å; L1330-V1433 HydrophobicContact CD1-CG1 4.02Å; L1330-V1433 HydrophobicContact CD1-CG2 3.32Å; L1330-V1433 HydrophobicContact CD2-CG2 4.06Å; L1330-V1433 HydrophobicContact CG-CG2 4.31Å
1331P76.5Confident76.7Confident63 Ų6347.1 Ų47.141%0.40924%0.243SC..Hα-helixtrans-64.5-19-168.225.9-34.1000113.4K1328 A1329 L1335K1328-P1331 WeakPolarHBondContact O-CD 3.48Å; A1329-P1331 WeakPolarHBondContact O-CD 3.41Å; P1331-L1335 WeakPolarHBondContact O-CB 3.37Å; P1331-L1335 PolarHBondContact O-N 3.47Å
1332Y78.4Confident77.1Confident72 Ų7244.4 Ų44.428%0.28223%0.234SC..Hα-helixtrans-73.2-35.4171.2-57.7-72.1000112.9V980 K982 L983 L1330 L1336V980-Y1332 HydrophobicContact CG1-CD1 3.94Å; V980-Y1332 HydrophobicContact CG1-CE1 3.68Å; K982-Y1332 HydrophobicContact CB-CD1 3.99Å; K982-Y1332 HydrophobicContact CB-CD2 3.85Å; K982-Y1332 HydrophobicContact CB-CE1 3.92Å; K982-Y1332 HydrophobicContact CB-CE2 3.79Å; K982-Y1332 HydrophobicContact CB-CG 3.96Å; K982-Y1332 HydrophobicContact CD-CD2 4.41Å; K982-Y1332 HydrophobicContact CD-CE1 4.42Å; K982-Y1332 HydrophobicContact CD-CE2 3.57Å; K982-Y1332 WeakPolarHBondContact CD-OH 3.28Å; K982-Y1332 HydrophobicContact CG-CE2 4.28Å; L983-Y1332 HydrophobicContact CB-CD1 4.32Å; L983-Y1332 WeakPolarHBondContact CD1-O 3.21Å; L1330-Y1332 PolarHBondContact O-N 3.47Å; Y1332-L1336 PolarHBondContact O-N 3.37Å
1333V75.7Confident78Confident12 Ų1244.4 Ų44.47%0.07323%0.233CC..Hα-helixtrans-72.7-43.8174.1-163.90000110.2V986 L1330 L1335 L1336 I1337 L1429V986-V1333 HydrophobicContact CG1-CB 4.42Å; V986-V1333 HydrophobicContact CG1-CG2 3.86Å; V986-V1333 HydrophobicContact CG2-CG2 4.13Å; L1330-V1333 HydrophobicContact CD2-CG2 4.45Å; L1330-V1333 WeakPolarHBondContact O-CA 3.38Å; L1330-V1333 PolarHBondContact O-N 2.88Å; V1333-L1335 VanDerWaalsContact C-N 3.3Å; V1333-L1335 PolarHBondContact O-N 3.47Å; V1333-L1336 WeakPolarHBondContact O-CB 3.28Å; V1333-L1336 PolarHBondContact O-N 3.19Å; V1333-L1336 VanDerWaalsContact O-N 3.12Å; V1333-I1337 HydrophobicContact CG1-CD1 4.42Å; V1333-I1337 PolarHBondContact O-N 3.24Å; V1333-L1429 HydrophobicContact CB-CD1 3.7Å; V1333-L1429 HydrophobicContact CG1-CB 3.79Å; V1333-L1429 HydrophobicContact CG1-CD1 3.68Å; V1333-L1429 HydrophobicContact CG1-CG 4.37Å
1334C79.1Confident78.9Confident42 Ų4245.2 Ų45.228%0.28424%0.235SC..Hα-helixtrans-61.1-38.9174-58.40000111.6L1330 I1337 T1338L1330-C1334 PolarHBondContact O-N 3.26Å; C1334-I1337 PolarHBondContact O-N 2.61Å; C1334-T1338 WeakPolarHBondContact O-CB 2.97Å; C1334-T1338 PolarHBondContact O-N 3.17Å; C1334-T1338 PolarHBondContact O-OG1 3.36Å
1335L79.7Confident79.5Confident73 Ų7344 Ų4438%0.38223%0.229SC..Hα-helixtrans-62.9-42.3173-173.5168.5000111.5L983 P1331 V1333 I1337 T1338 M1339L983-L1335 HydrophobicContact CD1-CD2 4.15Å; L983-L1335 HydrophobicContact CD2-CD2 3.6Å; P1331-L1335 WeakPolarHBondContact O-CB 3.37Å; P1331-L1335 PolarHBondContact O-N 3.47Å; V1333-L1335 VanDerWaalsContact C-N 3.3Å; V1333-L1335 PolarHBondContact O-N 3.47Å; L1335-I1337 VanDerWaalsContact C-N 3.32Å; L1335-I1337 PolarHBondContact O-N 3.22Å; L1335-T1338 PolarHBondContact O-N 2.91Å; L1335-M1339 WeakPolarHBondContact O-CB 3.33Å; L1335-M1339 PolarHBondContact O-N 3.34Å
1336L82Confident80.2Confident11 Ų1138.8 Ų38.86%0.05821%0.205CC..Hα-helixtrans-60.2-41.5175.7-172.166.5000111.8I977 L983 V986 F987 Y1332 V1333 M1339 L1340 L1425I977-L1336 HydrophobicContact CD1-CD1 3.97Å; L983-L1336 HydrophobicContact CD1-CB 4.08Å; L983-L1336 HydrophobicContact CD1-CD1 4.42Å; V986-L1336 HydrophobicContact CG1-CD2 4.3Å; F987-L1336 HydrophobicContact CD2-CD1 4.42Å; Y1332-L1336 PolarHBondContact O-N 3.37Å; V1333-L1336 WeakPolarHBondContact O-CB 3.28Å; V1333-L1336 PolarHBondContact O-N 3.19Å; V1333-L1336 VanDerWaalsContact O-N 3.12Å; L1336-M1339 PolarHBondContact O-N 2.99Å; L1336-L1340 PolarHBondContact O-N 2.8Å; L1336-L1425 HydrophobicContact CD2-CD1 4.36Å; L1336-L1425 HydrophobicContact CD2-CD2 3.95Å; L1336-L1425 HydrophobicContact CG-CD1 4.15Å
1337I83.7Confident80.9Confident18 Ų1839.8 Ų39.89%0.09221%0.21CC..Hα-helixtrans-66-49.6174.5-68.1161.5000110.8V1333 C1334 L1335 M1339 L1340 F1341 L1425 M1426 L1429V1333-I1337 HydrophobicContact CG1-CD1 4.42Å; V1333-I1337 PolarHBondContact O-N 3.24Å; C1334-I1337 PolarHBondContact O-N 2.61Å; L1335-I1337 VanDerWaalsContact C-N 3.32Å; L1335-I1337 PolarHBondContact O-N 3.22Å; I1337-M1339 PolarHBondContact O-N 2.98Å; I1337-M1339 VanDerWaalsContact O-N 3.17Å; I1337-L1340 WeakPolarHBondContact O-CA 3.36Å; I1337-L1340 VanDerWaalsContact O-CB 3.32Å; I1337-L1340 WeakPolarHBondContact O-CB 3.28Å; I1337-L1340 PolarHBondContact O-N 3.37Å; I1337-F1341 HydrophobicContact CG2-CD2 3.79Å; I1337-F1341 HydrophobicContact CG2-CE2 3.78Å; I1337-F1341 WeakPolarHBondContact O-CD2 3.34Å; I1337-F1341 PolarHBondContact O-N 3.01Å; I1337-L1425 HydrophobicContact CG1-CB 3.92Å; I1337-L1425 HydrophobicContact CG1-CD1 4.4Å; I1337-M1426 HydrophobicContact CD1-SD 3.93Å; I1337-M1426 HydrophobicContact CG2-SD 4.47Å; I1337-L1429 HydrophobicContact CD1-CB 3.91Å; I1337-L1429 HydrophobicContact CD1-CD1 4.5Å; I1337-L1429 HydrophobicContact CD1-CD2 3.77Å; I1337-L1429 HydrophobicContact CD1-CG 4.27Å
1338T82.6Confident81.7Confident95 Ų9535.6 Ų35.658%0.58319%0.192SC*.Hα-helixtrans-55.2-35.2174.2-580000111.8C1334 L1335 F1342C1334-T1338 WeakPolarHBondContact O-CB 2.97Å; C1334-T1338 PolarHBondContact O-N 3.17Å; C1334-T1338 PolarHBondContact O-OG1 3.36Å; L1335-T1338 PolarHBondContact O-N 2.91Å; T1338-F1342 VanDerWaalsContact O-CB 3.26Å; T1338-F1342 WeakPolarHBondContact O-CB 3.38Å; T1338-F1342 PolarHBondContact O-N 3.47Å
1339M83.4Confident82.5Confident16 Ų1630 Ų308%0.07917%0.168CC..Hα-helixtrans-74.1-32.4176.4-156.9-177.780.200112.9P973 L974 I977 L1335 L1336 I1337 I1343P973-M1339 HydrophobicContact CB-CG 3.84Å; P973-M1339 HydrophobicContact CB-SD 3.68Å; L974-M1339 HydrophobicContact CD2-CE 3.58Å; L974-M1339 HydrophobicContact CG-CE 4.03Å; I977-M1339 HydrophobicContact CD1-CE 3.78Å; I977-M1339 HydrophobicContact CG1-CE 4.08Å; L1335-M1339 WeakPolarHBondContact O-CB 3.33Å; L1335-M1339 PolarHBondContact O-N 3.34Å; L1336-M1339 PolarHBondContact O-N 2.99Å; I1337-M1339 PolarHBondContact O-N 2.98Å; I1337-M1339 VanDerWaalsContact O-N 3.17Å; M1339-I1343 HydrophobicContact CE-CD1 4.16Å; M1339-I1343 HydrophobicContact CG-CD1 4.32Å; M1339-I1343 WeakPolarHBondContact O-CB 3.36Å; M1339-I1343 VanDerWaalsContact O-CG1 3.26Å; M1339-I1343 WeakPolarHBondContact O-CG1 2.61Å; M1339-I1343 PolarHBondContact O-N 3.18Å
1340L86.9Confident83.3Confident25 Ų2529.1 Ų29.113%0.13115%0.154CC..Hα-helixtrans-61.5-54.3169.2-172.880.3000110.1L1336 I1337 F1342 I1343 Y1344 F1418 F1421 C1422 L1425L1336-L1340 PolarHBondContact O-N 2.8Å; I1337-L1340 WeakPolarHBondContact O-CA 3.36Å; I1337-L1340 VanDerWaalsContact O-CB 3.32Å; I1337-L1340 WeakPolarHBondContact O-CB 3.28Å; I1337-L1340 PolarHBondContact O-N 3.37Å; L1340-F1342 VanDerWaalsContact C-N 3.3Å; L1340-F1342 PolarHBondContact O-N 3.17Å; L1340-I1343 PolarHBondContact O-N 2.84Å; L1340-I1343 VanDerWaalsContact O-N 3.15Å; L1340-Y1344 HydrophobicContact CD1-CD2 3.96Å; L1340-Y1344 HydrophobicContact CD1-CE2 3.65Å; L1340-Y1344 HydrophobicContact CG-CD2 4.05Å; L1340-Y1344 HydrophobicContact CG-CE2 4.18Å; L1340-Y1344 WeakPolarHBondContact O-CD2 2.93Å; L1340-Y1344 PolarHBondContact O-N 3.1Å; L1340-F1418 HydrophobicContact CD2-CE2 4.41Å; L1340-F1421 HydrophobicContact CD1-CB 4.16Å; L1340-F1421 HydrophobicContact CD2-CB 4.24Å; L1340-C1422 HydrophobicContact CD2-CB 4.2Å; L1340-L1425 HydrophobicContact CB-CD1 4.25Å; L1340-L1425 HydrophobicContact CD2-CD1 4.16Å
1341F88.5Confident84.1Confident31 Ų3131.7 Ų31.714%0.13617%0.168CC..Hα-helixtrans-57.1-42.6176.9-84.7-84.7000112I1337 A1345 A1380 T1381 F1418I1337-F1341 HydrophobicContact CG2-CD2 3.79Å; I1337-F1341 HydrophobicContact CG2-CE2 3.78Å; I1337-F1341 WeakPolarHBondContact O-CD2 3.34Å; I1337-F1341 PolarHBondContact O-N 3.01Å; F1341-A1345 WeakPolarHBondContact O-CB 3.32Å; F1341-A1345 PolarHBondContact O-N 2.82Å; F1341-A1380 HydrophobicContact CD1-CB 3.95Å; F1341-A1380 HydrophobicContact CE1-CB 4.09Å; F1341-A1380 WeakPolarHBondContact CE1-O 3.44Å; F1341-T1381 HydrophobicContact CD1-CG2 4.24Å; F1341-T1381 HydrophobicContact CE1-CG2 3.4Å; F1341-T1381 HydrophobicContact CZ-CG2 3.87Å; F1341-F1418 HydrophobicContact CD1-CE2 4.38Å; F1341-F1418 HydrophobicContact CD1-CZ 4.21Å; F1341-F1418 HydrophobicContact CE1-CE2 4.23Å; F1341-F1418 AromaticContact CE1-CZ 3.63Å; F1341-F1418 HydrophobicContact CE1-CZ 3.63Å; F1341-F1418 HydrophobicContact CZ-CE2 4.49Å; F1341-F1418 AromaticContact CZ-CZ 3.83Å; F1341-F1418 HydrophobicContact CZ-CZ 3.83Å
1342F88Confident84.6Confident33 Ų3328.9 Ų28.915%0.14515%0.149CC..Hα-helixtrans-59.1-47.8175.1179.1-83.2000112.3S871 A875 P973 T1338 L1340 V1346 F1373S871-F1342 WeakPolarHBondContact O-CZ 3.25Å; A875-F1342 HydrophobicContact CB-CE2 3.88Å; A875-F1342 HydrophobicContact CB-CZ 4.29Å; P973-F1342 HydrophobicContact CG-CD1 3.91Å; P973-F1342 HydrophobicContact CG-CE1 3.68Å; T1338-F1342 VanDerWaalsContact O-CB 3.26Å; T1338-F1342 WeakPolarHBondContact O-CB 3.38Å; T1338-F1342 PolarHBondContact O-N 3.47Å; L1340-F1342 VanDerWaalsContact C-N 3.3Å; L1340-F1342 PolarHBondContact O-N 3.17Å; F1342-V1346 HydrophobicContact CE1-CG2 4.13Å; F1342-V1346 HydrophobicContact CE2-CG2 4.41Å; F1342-V1346 HydrophobicContact CZ-CG2 4.04Å; F1342-V1346 WeakPolarHBondContact O-CG2 3.16Å; F1342-V1346 PolarHBondContact O-N 3Å; F1342-V1346 VanDerWaalsContact O-N 3.15Å; F1342-F1373 AromaticContact CD2-CE2 3.64Å; F1342-F1373 HydrophobicContact CD2-CE2 3.64Å; F1342-F1373 AromaticContact CD2-CZ 3.61Å; F1342-F1373 HydrophobicContact CD2-CZ 3.61Å; F1342-F1373 HydrophobicContact CE2-CE2 4.02Å; F1342-F1373 HydrophobicContact CE2-CZ 4.19Å; F1342-F1373 HydrophobicContact CG-CE2 4.27Å; F1342-F1373 HydrophobicContact CG-CZ 4.43Å
1343I88.2Confident84.9Confident27 Ų2725.5 Ų25.514%0.13814%0.136CC..Hα-helixtrans-63.3-49.8-179.5-73.7167.4000110.3V970 L974 M1339 L1340 V1346 V1347V970-I1343 HydrophobicContact CG1-CB 4.33Å; V970-I1343 HydrophobicContact CG1-CG1 4.34Å; V970-I1343 HydrophobicContact CG1-CG2 4.19Å; L974-I1343 HydrophobicContact CD2-CD1 4.46Å; L974-I1343 HydrophobicContact CG-CD1 4.19Å; M1339-I1343 HydrophobicContact CE-CD1 4.16Å; M1339-I1343 HydrophobicContact CG-CD1 4.32Å; M1339-I1343 WeakPolarHBondContact O-CB 3.36Å; M1339-I1343 VanDerWaalsContact O-CG1 3.26Å; M1339-I1343 WeakPolarHBondContact O-CG1 2.61Å; M1339-I1343 PolarHBondContact O-N 3.18Å; L1340-I1343 PolarHBondContact O-N 2.84Å; L1340-I1343 VanDerWaalsContact O-N 3.15Å; I1343-V1346 PolarHBondContact O-N 2.93Å; I1343-V1347 HydrophobicContact CG2-CG2 4.49Å; I1343-V1347 WeakPolarHBondContact O-CB 3.24Å; I1343-V1347 VanDerWaalsContact O-CG2 3.22Å; I1343-V1347 WeakPolarHBondContact O-CG2 3.16Å; I1343-V1347 PolarHBondContact O-N 3.01Å
1344Y89.1Confident85.4Confident28 Ų2826.5 Ų26.511%0.1114%0.142CC..Hα-helixtrans-66.2-44.7-178.9-84.3-97.8000112L1340 V1346 V1347 G1348 Y1414 S1417 F1418L1340-Y1344 HydrophobicContact CD1-CD2 3.96Å; L1340-Y1344 HydrophobicContact CD1-CE2 3.65Å; L1340-Y1344 HydrophobicContact CG-CD2 4.05Å; L1340-Y1344 HydrophobicContact CG-CE2 4.18Å; L1340-Y1344 WeakPolarHBondContact O-CD2 2.93Å; L1340-Y1344 PolarHBondContact O-N 3.1Å; Y1344-V1346 VanDerWaalsContact C-N 3.34Å; Y1344-V1346 PolarHBondContact O-N 3.24Å; Y1344-V1347 PolarHBondContact O-N 3.47Å; Y1344-V1347 VanDerWaalsContact O-N 3.14Å; Y1344-G1348 PolarHBondContact O-N 2.93Å; Y1344-Y1414 AromaticContact CD1-CD2 3.86Å; Y1344-Y1414 HydrophobicContact CD1-CD2 3.86Å; Y1344-Y1414 AromaticContact CD1-CE2 3.57Å; Y1344-Y1414 HydrophobicContact CD1-CE2 3.57Å; Y1344-Y1414 HydrophobicContact CD1-CG 4.47Å; Y1344-Y1414 AromaticContact CD1-CZ 3.93Å; Y1344-Y1414 HydrophobicContact CE1-CD2 4.26Å; Y1344-Y1414 HydrophobicContact CE1-CE2 4.4Å; Y1344-Y1414 HydrophobicContact CG-CE2 4.36Å; Y1344-Y1414 PolarHBondContact O-OH 2.83Å; Y1344-S1417 PolarHBondContact OH-OG 3.16Å; Y1344-F1418 HydrophobicContact CD1-CB 3.73Å; Y1344-F1418 AromaticContact CD1-CD2 3.7Å; Y1344-F1418 HydrophobicContact CD1-CD2 3.7Å; Y1344-F1418 HydrophobicContact CD1-CG 4.12Å; Y1344-F1418 AromaticContact CD2-CD2 3.96Å; Y1344-F1418 HydrophobicContact CD2-CD2 3.96Å; Y1344-F1418 HydrophobicContact CE1-CB 3.58Å; Y1344-F1418 HydrophobicContact CE1-CD2 4.16Å; Y1344-F1418 HydrophobicContact CE1-CG 4.37Å; Y1344-F1418 HydrophobicContact CE2-CD2 4.39Å; Y1344-F1418 HydrophobicContact CG-CB 4.47Å; Y1344-F1418 AromaticContact CG-CD2 3.58Å; Y1344-F1418 HydrophobicContact CG-CD2 3.58Å; Y1344-F1418 HydrophobicContact CG-CE2 4.36Å; Y1344-F1418 HydrophobicContact CG-CG 4.44Å
1345A90.2Very high85.7Confident0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-59.2-40.517800000113F1341 M1349 F1373 A1376 V1377F1341-A1345 WeakPolarHBondContact O-CB 3.32Å; F1341-A1345 PolarHBondContact O-N 2.82Å; A1345-M1349 VanDerWaalsContact O-CB 3.28Å; A1345-M1349 WeakPolarHBondContact O-CB 3.19Å; A1345-M1349 PolarHBondContact O-N 3.43Å; A1345-F1373 HydrophobicContact CB-CD2 4.09Å; A1345-F1373 HydrophobicContact CB-CE2 3.92Å; A1345-A1376 HydrophobicContact CB-CB 3.98Å; A1345-V1377 HydrophobicContact CB-CB 4.46Å; A1345-V1377 HydrophobicContact CB-CG2 3.53Å
1346V87.3Confident86Confident0 Ų022.1 Ų22.10%012%0.118CC..Hα-helixtrans-72-37176179.20000111.7L874 A875 V970 F1342 I1343 Y1344 M1349 Q1350 F1373L874-V1346 HydrophobicContact CB-CG1 4.18Å; A875-V1346 HydrophobicContact CB-CG2 4.5Å; V970-V1346 HydrophobicContact CB-CG1 4.49Å; V970-V1346 HydrophobicContact CG1-CB 3.92Å; V970-V1346 HydrophobicContact CG1-CG1 4.06Å; V970-V1346 HydrophobicContact CG2-CB 4.29Å; V970-V1346 HydrophobicContact CG2-CG1 3.57Å; F1342-V1346 HydrophobicContact CE1-CG2 4.13Å; F1342-V1346 HydrophobicContact CE2-CG2 4.41Å; F1342-V1346 HydrophobicContact CZ-CG2 4.04Å; F1342-V1346 WeakPolarHBondContact O-CG2 3.16Å; F1342-V1346 PolarHBondContact O-N 3Å; F1342-V1346 VanDerWaalsContact O-N 3.15Å; I1343-V1346 PolarHBondContact O-N 2.93Å; Y1344-V1346 VanDerWaalsContact C-N 3.34Å; Y1344-V1346 PolarHBondContact O-N 3.24Å; V1346-M1349 PolarHBondContact O-N 3.12Å; V1346-Q1350 WeakPolarHBondContact O-CB 3.08Å; V1346-Q1350 WeakPolarHBondContact O-CG 3.21Å; V1346-Q1350 PolarHBondContact O-N 3.47Å; V1346-F1373 HydrophobicContact CG2-CD2 3.82Å; V1346-F1373 HydrophobicContact CG2-CE2 3.96Å
1347V86.6Confident86.1Confident26 Ų2624.9 Ų24.916%0.15813%0.133CC..Hα-helixtrans-61.7-46.2172.3170.20000110.9V967 V970 I1343 Y1344 Q1350 I1351 Y1414V967-V1347 HydrophobicContact CG1-CG1 4.4Å; V967-V1347 HydrophobicContact CG1-CG2 3.88Å; V970-V1347 HydrophobicContact CB-CG2 4.44Å; V970-V1347 HydrophobicContact CG1-CG2 4.19Å; I1343-V1347 HydrophobicContact CG2-CG2 4.49Å; I1343-V1347 WeakPolarHBondContact O-CB 3.24Å; I1343-V1347 VanDerWaalsContact O-CG2 3.22Å; I1343-V1347 WeakPolarHBondContact O-CG2 3.16Å; I1343-V1347 PolarHBondContact O-N 3.01Å; Y1344-V1347 PolarHBondContact O-N 3.47Å; Y1344-V1347 VanDerWaalsContact O-N 3.14Å; V1347-Q1350 PolarHBondContact O-N 3.36Å; V1347-I1351 HydrophobicContact CG1-CD1 3.69Å; V1347-I1351 WeakPolarHBondContact O-CG1 3.12Å; V1347-I1351 PolarHBondContact O-N 2.87Å; V1347-Y1414 HydrophobicContact CB-CE2 4.2Å; V1347-Y1414 HydrophobicContact CG1-CD2 3.92Å; V1347-Y1414 HydrophobicContact CG1-CE2 3.91Å
1348G87.5Confident85.7Confident0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-62.4-44.1176.900000112Y1344 Q1350 I1351 F1352 G1353Y1344-G1348 PolarHBondContact O-N 2.93Å; G1348-Q1350 VanDerWaalsContact C-N 3.33Å; G1348-Q1350 PolarHBondContact O-N 3.38Å; G1348-I1351 PolarHBondContact O-N 3.19Å; G1348-F1352 WeakPolarHBondContact O-CA 3.45Å; G1348-F1352 WeakPolarHBondContact O-CB 3.36Å; G1348-F1352 PolarHBondContact O-N 3.1Å; G1348-G1353 PolarHBondContact O-N 3.5Å
1349M86.6Confident85.1Confident2 Ų224.3 Ų24.31%0.0113%0.125CC..Hα-helixtrans-58.6-42.2174.2-167.6174.480.200112.1L874 E877 P879 A1345 V1346 G1353 F1370 F1373L874-M1349 VanDerWaalsContact O-CE 3.29Å; L874-M1349 WeakPolarHBondContact O-CE 3.35Å; E877-M1349 HydrophobicContact CB-CE 4.09Å; E877-M1349 WeakPolarHBondContact O-CE 3.06Å; P879-M1349 HydrophobicContact CB-CG 4.22Å; P879-M1349 VanDerWaalsContact CB-O 3.28Å; P879-M1349 WeakPolarHBondContact CB-O 3.08Å; P879-M1349 HydrophobicContact CG-CG 3.72Å; A1345-M1349 VanDerWaalsContact O-CB 3.28Å; A1345-M1349 WeakPolarHBondContact O-CB 3.19Å; A1345-M1349 PolarHBondContact O-N 3.43Å; V1346-M1349 PolarHBondContact O-N 3.12Å; M1349-G1353 WeakPolarHBondContact O-CA 3.19Å; M1349-G1353 PolarHBondContact O-N 3.18Å; M1349-F1370 WeakPolarHBondContact CA-O 3.3Å; M1349-F1370 WeakPolarHBondContact CG-O 3.36Å; M1349-F1373 HydrophobicContact SD-CB 4.33Å
1350Q82.6Confident83.9Confident35 Ų3525.9 Ų25.916%0.16414%0.141CC..Hα-helixtrans-77.5-17.8-179.7-73-175.4-16.300115.1E877 V967 V1346 V1347 G1348E877-Q1350 PolarHBondContact OE2-NE2 3.37Å; V967-Q1350 HydrophobicContact CG2-CB 4.5Å; V1346-Q1350 WeakPolarHBondContact O-CB 3.08Å; V1346-Q1350 WeakPolarHBondContact O-CG 3.21Å; V1346-Q1350 PolarHBondContact O-N 3.47Å; V1347-Q1350 PolarHBondContact O-N 3.36Å; G1348-Q1350 VanDerWaalsContact C-N 3.33Å; G1348-Q1350 PolarHBondContact O-N 3.38Å
1351I82.8Confident82.8Confident56 Ų5634.1 Ų34.129%0.28718%0.178SC..Hα-helixtrans-105.6-43.8-179.6-61.5175.1000112.3V1347 G1348V1347-I1351 HydrophobicContact CG1-CD1 3.69Å; V1347-I1351 WeakPolarHBondContact O-CG1 3.12Å; V1347-I1351 PolarHBondContact O-N 2.87Å; G1348-I1351 PolarHBondContact O-N 3.19Å
1352F87.3Confident81.7Confident4 Ų433.9 Ų33.92%0.01819%0.185CC..Hα-helixtrans-107.3-14.6-171.4-51-59000113.6G1348 T1354 I1355 F1370 C1392 Y1414G1348-F1352 WeakPolarHBondContact O-CA 3.45Å; G1348-F1352 WeakPolarHBondContact O-CB 3.36Å; G1348-F1352 PolarHBondContact O-N 3.1Å; F1352-T1354 PolarHBondContact O-N 2.68Å; F1352-I1355 HydrophobicContact CB-CD1 3.99Å; F1352-I1355 HydrophobicContact CD1-CD1 4.27Å; F1352-I1355 WeakPolarHBondContact O-CB 3Å; F1352-I1355 WeakPolarHBondContact O-CG1 3.35Å; F1352-I1355 PolarHBondContact O-N 3.13Å; F1352-I1355 VanDerWaalsContact O-N 3.08Å; F1352-F1370 HydrophobicContact CB-CB 4.09Å; F1352-F1370 HydrophobicContact CB-CD2 3.76Å; F1352-F1370 HydrophobicContact CB-CE2 4.48Å; F1352-F1370 HydrophobicContact CB-CG 4.01Å; F1352-F1370 HydrophobicContact CD2-CD2 4.34Å; F1352-F1370 HydrophobicContact CD2-CE2 4.33Å; F1352-F1370 HydrophobicContact CG-CD2 4.44Å; F1352-C1392 HydrophobicContact CD1-CB 3.74Å; F1352-C1392 HydrophobicContact CE1-CB 3.78Å; F1352-C1392 HydrophobicContact CG-CB 4.23Å; F1352-C1392 HydrophobicContact CZ-CB 4.3Å; F1352-Y1414 HydrophobicContact CE2-CD1 4.01Å; F1352-Y1414 HydrophobicContact CE2-CD2 4.28Å; F1352-Y1414 HydrophobicContact CE2-CE1 4.26Å; F1352-Y1414 HydrophobicContact CE2-CE2 4.49Å; F1352-Y1414 HydrophobicContact CE2-CG 4.04Å
1353G85.3Confident81.3Confident1 Ų135.9 Ų35.91%0.0120%0.195CC..THydrogen-bonded Turntrans-65.15.1-175.200000117.2V880 G1348 M1349 F1370 H1371V880-G1353 WeakPolarHBondContact CG2-O 3.27Å; G1348-G1353 PolarHBondContact O-N 3.5Å; M1349-G1353 WeakPolarHBondContact O-CA 3.19Å; M1349-G1353 PolarHBondContact O-N 3.18Å; G1353-F1370 VanDerWaalsContact CA-O 3.3Å; G1353-F1370 WeakPolarHBondContact CA-O 3.16Å; G1353-H1371 PolarHBondContact O-ND1 2.91Å
1354T85.4Confident81.2Confident33 Ų3335.1 Ų35.120%0.20219%0.191CC..THydrogen-bonded Turntrans-106.6-6.4173.458.30000114.5P879 F1352 V1399 C1406P879-T1354 VanDerWaalsContact O-CG2 3.28Å; P879-T1354 WeakPolarHBondContact O-CG2 3.45Å; F1352-T1354 PolarHBondContact O-N 2.68Å; T1354-V1399 PolarHBondContact O-N 2.86Å; T1354-C1406 PolarHBondContact OG1-SG 3.13Å
1355I86.7Confident80.8Confident7 Ų734.8 Ų34.84%0.03619%0.191CC..BIsolated β-bridgetrans-63.4144.4176.1-63.4170.8000109.4F1352 I1364 H1371 Q1396 E1397 V1399 C1406F1352-I1355 HydrophobicContact CB-CD1 3.99Å; F1352-I1355 HydrophobicContact CD1-CD1 4.27Å; F1352-I1355 WeakPolarHBondContact O-CB 3Å; F1352-I1355 WeakPolarHBondContact O-CG1 3.35Å; F1352-I1355 PolarHBondContact O-N 3.13Å; F1352-I1355 VanDerWaalsContact O-N 3.08Å; I1355-I1364 HydrophobicContact CG2-CG1 4.49Å; I1355-H1371 PolarHBondContact O-CE1 3.28Å; I1355-Q1396 HydrophobicContact CG1-CB 4.48Å; I1355-Q1396 HydrophobicContact CG2-CB 4.11Å; I1355-E1397 WeakPolarHBondContact CA-O 3.44Å; I1355-V1399 WeakPolarHBondContact O-CG2 3.27Å; I1355-C1406 HydrophobicContact CG1-CB 4.07Å
1356A85.4Confident80.3Confident16 Ų1636.6 Ų36.613%0.13220%0.204CC..  trans-70.5154.4176.900000113N1358 E1397A1356-N1358 WeakPolarHBondContact CB-OD1 3.45Å; A1356-E1397 HydrophobicContact CB-CB 3.99Å; A1356-E1397 PolarHBondContact N-O 3.41Å
1357I83.6Confident79.9Confident69 Ų6937.3 Ų37.335%0.35421%0.207SC..  trans-89.9115.1171.4-58.3171.6000107.8E1359 I1364 H1371I1357-E1359 HydrophobicContact CG2-CG 3.9Å; I1357-I1364 WeakPolarHBondContact CA-O 3.28Å; I1357-H1371 WeakPolarHBondContact CG1-NE2 3.41Å
1358N76.6Confident79.8Confident66 Ų6636.4 Ų36.435%0.35320%0.201SC..  trans-122.683-176.5-72.219.8000109.5A1356 A1360 G1362 I1364 E1397A1356-N1358 WeakPolarHBondContact CB-OD1 3.45Å; N1358-A1360 VanDerWaalsContact C-N 3.28Å; N1358-A1360 PolarHBondContact O-N 3.26Å; N1358-G1362 VanDerWaalsContact O-CA 3.31Å; N1358-G1362 WeakPolarHBondContact O-CA 3.37Å; N1358-G1362 PolarHBondContact O-N 2.89Å; N1358-I1364 PolarHBondContact N-O 3.32Å; N1358-E1397 PolarHBondContact ND2-OE2 2.57Å
1359E68.7Low79.8Confident36 Ų3636.6 Ų36.617%0.16820%0.203CC..THydrogen-bonded Turntrans-68.5-16-168.8-58.1-140.6159.700115.8D270 P272 R340 I1357 S1366D270-E1359 WeakPolarHBondContact O-CB 3.36Å; P272-E1359 WeakPolarHBondContact CD-O 3.38Å; R340-E1359 IonicContact NH2-OE2 3.27Å; R340-E1359 PolarHBondContact NH2-OE2 3.33Å; I1357-E1359 HydrophobicContact CG2-CG 3.9Å; E1359-S1366 WeakPolarHBondContact OE1-CB 3.41Å; E1359-S1366 PolarHBondContact OE1-N 3.28Å; E1359-S1366 PolarHBondContact OE1-OG 3.46Å
1360A59.6Low79.9Confident49 Ų4936.8 Ų36.841%0.40520%0.203SC..THydrogen-bonded Turntrans-82.5-36.6-177.300000114.1N1358N1358-A1360 VanDerWaalsContact C-N 3.28Å; N1358-A1360 PolarHBondContact O-N 3.26Å
1361E63.5Low80.1Confident197 Ų19736.7 Ų36.792%0.92120%0.203SC*.THydrogen-bonded Turntrans-132.7-6.8-173.6-63.6-175.8161.400113.5
1362G64.8Low80.3Confident26 Ų2635.9 Ų35.927%0.26820%0.202SC..  trans-114.4135.1-168.700000114.4N1358 I1364N1358-G1362 VanDerWaalsContact O-CA 3.31Å; N1358-G1362 WeakPolarHBondContact O-CA 3.37Å; N1358-G1362 PolarHBondContact O-N 2.89Å; G1362-I1364 PolarHBondContact O-N 3.24Å; G1362-I1364 VanDerWaalsContact O-N 3.15Å
1363Q79.8Confident80.4Confident76 Ų7638.1 Ų38.136%0.35521%0.212SC..SBendtrans-68-9.1174.2-67.5-65.43.400114.4T1365 N1368 E1387 A1391Q1363-T1365 PolarHBondContact O-N 2.73Å; Q1363-N1368 PolarHBondContact O-ND2 2.88Å; Q1363-E1387 HydrophobicContact CG-CB 3.84Å; Q1363-E1387 PolarHBondContact NE2-OE2 2.96Å; Q1363-A1391 HydrophobicContact CB-CB 4.32Å
1364I85Confident80.4Confident10 Ų1042.3 Ų42.35%0.05124%0.239CC..  trans-89.491.1171.1-55.7-58.7000109I1355 I1357 N1358 G1362 N1368 N1369 I1388 A1391I1355-I1364 HydrophobicContact CG2-CG1 4.49Å; I1357-I1364 WeakPolarHBondContact CA-O 3.28Å; N1358-I1364 PolarHBondContact N-O 3.32Å; G1362-I1364 PolarHBondContact O-N 3.24Å; G1362-I1364 VanDerWaalsContact O-N 3.15Å; I1364-N1368 WeakPolarHBondContact CA-O 3.47Å; I1364-N1369 HydrophobicContact CG2-CB 4.03Å; I1364-I1388 HydrophobicContact CD1-CG2 4.17Å; I1364-A1391 HydrophobicContact CD1-CB 4.49Å; I1364-A1391 HydrophobicContact CG1-CB 4.03Å
1365T80.7Confident80.4Confident21 Ų2144 Ų4413%0.12924%0.242CC..  trans-104.6172.8-175.368.90000111.9Q1363 Y1367 N1368 N1369Q1363-T1365 PolarHBondContact O-N 2.73Å; T1365-Y1367 PolarHBondContact O-N 3.09Å; T1365-Y1367 VanDerWaalsContact O-N 3.08Å; T1365-Y1367 PolarHBondContact OG1-N 3.07Å; T1365-N1368 PolarHBondContact N-O 2.91Å; T1365-N1368 VanDerWaalsContact N-O 3.13Å; T1365-N1368 CarbonylContact O-C 3.48Å; T1365-N1368 PolarHBondContact O-N 3.18Å; T1365-N1368 WeakPolarHBondContact OG1-CB 3.32Å; T1365-N1368 PolarHBondContact OG1-N 3.11Å; T1365-N1369 WeakPolarHBondContact O-CB 3.24Å; T1365-N1369 PolarHBondContact O-ND2 3.28Å
1366S79.9Confident80.5Confident39 Ų3943.7 Ų43.727%0.27324%0.24SC..SBendtrans-60-17.4174.157.70000114.6E1359 N1369E1359-S1366 WeakPolarHBondContact OE1-CB 3.41Å; E1359-S1366 PolarHBondContact OE1-N 3.28Å; E1359-S1366 PolarHBondContact OE1-OG 3.46Å; S1366-N1369 VanDerWaalsContact C-ND2 3.25Å; S1366-N1369 PolarHBondContact O-ND2 2.98Å
1367Y78.8Confident80.6Confident15 Ų1544.9 Ų44.96%0.05925%0.246CC..SBendtrans-103.2-25.3175.8-50.7-67.4000113.7Y336 N339 R340 T1365Y336-Y1367 VanDerWaalsContact CD1-CB 3.49Å; Y336-Y1367 HydrophobicContact CD1-CG 4.19Å; N339-Y1367 HydrophobicContact CB-CD1 3.84Å; N339-Y1367 HydrophobicContact CB-CE1 3.73Å; N339-Y1367 HydrophobicContact CB-CG 4.48Å; R340-Y1367 HydrophobicContact CG-CE2 3.56Å; R340-Y1367 WeakPolarHBondContact CG-OH 3.31Å; T1365-Y1367 PolarHBondContact O-N 3.09Å; T1365-Y1367 VanDerWaalsContact O-N 3.08Å; T1365-Y1367 PolarHBondContact OG1-N 3.07Å
1368N85.1Confident80.5Confident6 Ų642.8 Ų42.83%0.03224%0.235CC..SBendtrans-116.377.7-179.2-165.538.4000110.5Q1363 I1364 T1365 C1379 I1388Q1363-N1368 PolarHBondContact O-ND2 2.88Å; I1364-N1368 WeakPolarHBondContact CA-O 3.47Å; T1365-N1368 PolarHBondContact N-O 2.91Å; T1365-N1368 VanDerWaalsContact N-O 3.13Å; T1365-N1368 CarbonylContact O-C 3.48Å; T1365-N1368 PolarHBondContact O-N 3.18Å; T1365-N1368 WeakPolarHBondContact OG1-CB 3.32Å; T1365-N1368 PolarHBondContact OG1-N 3.11Å; N1368-C1379 VanDerWaalsContact C-SG 3.58Å; N1368-C1379 PolarHBondContact OD1-SG 3.15Å; N1368-I1388 WeakPolarHBondContact ND2-CD1 3.42Å
1369N87.8Confident80.6Confident5 Ų539.8 Ų39.83%0.02722%0.22CC..  trans-145.9158-179.260.178.4000114.6I1364 T1365 S1366 H1371 Y1375 A1376 C1379I1364-N1369 HydrophobicContact CG2-CB 4.03Å; T1365-N1369 WeakPolarHBondContact O-CB 3.24Å; T1365-N1369 PolarHBondContact O-ND2 3.28Å; S1366-N1369 VanDerWaalsContact C-ND2 3.25Å; S1366-N1369 PolarHBondContact O-ND2 2.98Å; N1369-H1371 PolarHBondContact O-N 2.88Å; N1369-H1371 WeakPolarHBondContact OD1-CB 3.19Å; N1369-H1371 PolarHBondContact OD1-CD2 3.36Å; N1369-H1371 PolarHBondContact OD1-N 2.87Å; N1369-Y1375 CarbonylContact O-C 3.44Å; N1369-Y1375 VanDerWaalsContact O-C 3.31Å; N1369-Y1375 WeakPolarHBondContact O-CB 3.3Å; N1369-A1376 PolarHBondContact O-N 3.37Å; N1369-C1379 VanDerWaalsContact C-SG 3.57Å; N1369-C1379 PolarHBondContact N-SG 3.36Å; N1369-C1379 PolarHBondContact O-SG 2.88Å
1370F89.4Confident80.8Confident5 Ų538.5 Ų38.52%0.02222%0.215CC..SBendtrans-90.116.8177-68.8-77.2000114.1M1349 F1352 G1353 S1372 A1376 C1379 I1388 F1415M1349-F1370 WeakPolarHBondContact CA-O 3.3Å; M1349-F1370 WeakPolarHBondContact CG-O 3.36Å; F1352-F1370 HydrophobicContact CB-CB 4.09Å; F1352-F1370 HydrophobicContact CB-CD2 3.76Å; F1352-F1370 HydrophobicContact CB-CE2 4.48Å; F1352-F1370 HydrophobicContact CB-CG 4.01Å; F1352-F1370 HydrophobicContact CD2-CD2 4.34Å; F1352-F1370 HydrophobicContact CD2-CE2 4.33Å; F1352-F1370 HydrophobicContact CG-CD2 4.44Å; G1353-F1370 VanDerWaalsContact CA-O 3.3Å; G1353-F1370 WeakPolarHBondContact CA-O 3.16Å; F1370-S1372 VanDerWaalsContact C-N 3.34Å; F1370-S1372 PolarHBondContact O-N 3.45Å; F1370-A1376 HydrophobicContact CD1-CB 3.74Å; F1370-A1376 HydrophobicContact CE1-CB 4.34Å; F1370-C1379 HydrophobicContact CE1-CB 3.88Å; F1370-C1379 HydrophobicContact CE2-CB 4.22Å; F1370-C1379 HydrophobicContact CZ-CB 3.68Å; F1370-I1388 HydrophobicContact CE2-CG2 4.26Å; F1370-F1415 HydrophobicContact CE2-CZ 4.34Å; F1370-F1415 HydrophobicContact CZ-CZ 4.07Å
1371H87.1Confident81.3Confident34 Ų3438.6 Ų38.616%0.15721%0.211CC..SBendtrans-75.9-19.1-177.5-63.5-50.7000114.5P879 V880 G1353 I1355 I1357 N1369P879-H1371 VanDerWaalsContact CD-O 3.32Å; P879-H1371 WeakPolarHBondContact CD-O 3.34Å; P879-H1371 WeakPolarHBondContact CG-O 3.37Å; V880-H1371 HydrophobicContact CG2-CB 4.1Å; V880-H1371 WeakPolarHBondContact CG2-ND1 3.22Å; G1353-H1371 PolarHBondContact O-ND1 2.91Å; I1355-H1371 PolarHBondContact O-CE1 3.28Å; I1357-H1371 WeakPolarHBondContact CG1-NE2 3.41Å; N1369-H1371 PolarHBondContact O-N 2.88Å; N1369-H1371 WeakPolarHBondContact OD1-CB 3.19Å; N1369-H1371 PolarHBondContact OD1-CD2 3.36Å; N1369-H1371 PolarHBondContact OD1-N 2.87Å
1372S86.7Confident81.2Confident39 Ų3930 Ų3027%0.27317%0.174SC..SBendtrans-145.5150.6178.8760000111.3F1370 Y1375 A1376F1370-S1372 VanDerWaalsContact C-N 3.34Å; F1370-S1372 PolarHBondContact O-N 3.45Å; S1372-Y1375 PolarHBondContact O-N 3.12Å; S1372-Y1375 VanDerWaalsContact OG-CD2 3.3Å; S1372-Y1375 WeakPolarHBondContact OG-CD2 3.2Å; S1372-A1376 WeakPolarHBondContact O-CB 3.32Å; S1372-A1376 PolarHBondContact O-N 2.86Å
1373F88.7Confident81.7Confident51 Ų5130.6 Ų30.622%0.22417%0.17CC..Hα-helixtrans-53-44.5-177.6176.9-94000114.4A875 F1342 A1345 V1346 M1349 A1376 V1377A875-F1373 HydrophobicContact CB-CB 4.3Å; A875-F1373 HydrophobicContact CB-CD1 4.38Å; A875-F1373 HydrophobicContact CB-CD2 3.86Å; A875-F1373 HydrophobicContact CB-CE2 4.3Å; A875-F1373 HydrophobicContact CB-CG 3.91Å; A875-F1373 WeakPolarHBondContact O-CB 3.47Å; F1342-F1373 AromaticContact CD2-CE2 3.64Å; F1342-F1373 HydrophobicContact CD2-CE2 3.64Å; F1342-F1373 AromaticContact CD2-CZ 3.61Å; F1342-F1373 HydrophobicContact CD2-CZ 3.61Å; F1342-F1373 HydrophobicContact CE2-CE2 4.02Å; F1342-F1373 HydrophobicContact CE2-CZ 4.19Å; F1342-F1373 HydrophobicContact CG-CE2 4.27Å; F1342-F1373 HydrophobicContact CG-CZ 4.43Å; A1345-F1373 HydrophobicContact CB-CD2 4.09Å; A1345-F1373 HydrophobicContact CB-CE2 3.92Å; V1346-F1373 HydrophobicContact CG2-CD2 3.82Å; V1346-F1373 HydrophobicContact CG2-CE2 3.96Å; M1349-F1373 HydrophobicContact SD-CB 4.33Å; F1373-A1376 PolarHBondContact O-N 2.69Å; F1373-V1377 HydrophobicContact CD1-CG2 4.38Å; F1373-V1377 HydrophobicContact CD2-CG2 4.45Å; F1373-V1377 HydrophobicContact CE1-CG2 3.89Å; F1373-V1377 HydrophobicContact CE2-CG2 3.99Å; F1373-V1377 HydrophobicContact CZ-CG2 3.67Å; F1373-V1377 WeakPolarHBondContact O-CG2 3.28Å; F1373-V1377 PolarHBondContact O-N 2.88Å
1374P85.2Confident81.9Confident88 Ų8829 Ų2957%0.57117%0.167SC*.Hα-helixtrans-64.1-41178.4-23.735.7000113.9V1377 L1378P1374-V1377 PolarHBondContact O-N 2.8Å; P1374-L1378 PolarHBondContact O-N 3.42Å; P1374-L1378 VanDerWaalsContact O-N 3.07Å
1375Y86.2Confident82.1Confident69 Ų6928.8 Ų28.827%0.27117%0.166SC..Hα-helixtrans-71.8-36.3175.6-62.7-43.4000111.6S344 N1369 S1372 V1377 L1378 C1379S344-Y1375 PolarHBondContact OG-OH 3.01Å; N1369-Y1375 CarbonylContact O-C 3.44Å; N1369-Y1375 VanDerWaalsContact O-C 3.31Å; N1369-Y1375 WeakPolarHBondContact O-CB 3.3Å; S1372-Y1375 PolarHBondContact O-N 3.12Å; S1372-Y1375 VanDerWaalsContact OG-CD2 3.3Å; S1372-Y1375 WeakPolarHBondContact OG-CD2 3.2Å; Y1375-V1377 VanDerWaalsContact C-N 3.3Å; Y1375-V1377 PolarHBondContact O-N 3.3Å; Y1375-L1378 CarbonylContact O-C 3.47Å; Y1375-L1378 WeakPolarHBondContact O-CA 3.22Å; Y1375-L1378 WeakPolarHBondContact O-CB 3.33Å; Y1375-L1378 PolarHBondContact O-N 3.4Å; Y1375-C1379 PolarHBondContact O-N 2.95Å; Y1375-C1379 PolarHBondContact O-SG 2.99Å
1376A88.1Confident82.6Confident0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-62.7-33.6173.100000113A1345 N1369 F1370 S1372 F1373 A1380A1345-A1376 HydrophobicContact CB-CB 3.98Å; N1369-A1376 PolarHBondContact O-N 3.37Å; F1370-A1376 HydrophobicContact CD1-CB 3.74Å; F1370-A1376 HydrophobicContact CE1-CB 4.34Å; S1372-A1376 WeakPolarHBondContact O-CB 3.32Å; S1372-A1376 PolarHBondContact O-N 2.86Å; F1373-A1376 PolarHBondContact O-N 2.69Å; A1376-A1380 WeakPolarHBondContact O-CB 3.32Å; A1376-A1380 PolarHBondContact O-N 3.42Å; A1376-A1380 VanDerWaalsContact O-N 3.12Å
1377V86.7Confident83Confident41 Ų4130.1 Ų30.125%0.24817%0.166CC..Hα-helixtrans-68.8-40.8170.11710000111A1345 F1373 P1374 Y1375 A1380 T1381A1345-V1377 HydrophobicContact CB-CB 4.46Å; A1345-V1377 HydrophobicContact CB-CG2 3.53Å; F1373-V1377 HydrophobicContact CD1-CG2 4.38Å; F1373-V1377 HydrophobicContact CD2-CG2 4.45Å; F1373-V1377 HydrophobicContact CE1-CG2 3.89Å; F1373-V1377 HydrophobicContact CE2-CG2 3.99Å; F1373-V1377 HydrophobicContact CZ-CG2 3.67Å; F1373-V1377 WeakPolarHBondContact O-CG2 3.28Å; F1373-V1377 PolarHBondContact O-N 2.88Å; P1374-V1377 PolarHBondContact O-N 2.8Å; Y1375-V1377 VanDerWaalsContact C-N 3.3Å; Y1375-V1377 PolarHBondContact O-N 3.3Å; V1377-A1380 PolarHBondContact O-N 2.96Å; V1377-T1381 PolarHBondContact O-N 3.34Å; V1377-T1381 VanDerWaalsContact O-N 3.08Å; V1377-T1381 PolarHBondContact O-OG1 2.89Å
1378L81.7Confident83.5Confident26 Ų2629.5 Ų29.514%0.13616%0.164CC..Hα-helixtrans-64.9-40.9176.4-172.564.8000112.2W331 L335 Y336 P1374 Y1375 A1380 T1381 G1382W331-L1378 HydrophobicContact CH2-CD1 4.49Å; L335-L1378 HydrophobicContact CD2-CD1 4.02Å; L335-L1378 HydrophobicContact CD2-CD2 4.3Å; Y336-L1378 HydrophobicContact CE1-CD2 4.27Å; P1374-L1378 PolarHBondContact O-N 3.42Å; P1374-L1378 VanDerWaalsContact O-N 3.07Å; Y1375-L1378 CarbonylContact O-C 3.47Å; Y1375-L1378 WeakPolarHBondContact O-CA 3.22Å; Y1375-L1378 WeakPolarHBondContact O-CB 3.33Å; Y1375-L1378 PolarHBondContact O-N 3.4Å; L1378-A1380 VanDerWaalsContact C-N 3.28Å; L1378-A1380 PolarHBondContact O-N 3.07Å; L1378-T1381 WeakPolarHBondContact CA-OG1 3.27Å; L1378-T1381 CarbonylContact O-C 3.52Å; L1378-T1381 WeakPolarHBondContact O-CA 3.33Å; L1378-T1381 PolarHBondContact O-N 3.37Å; L1378-T1381 PolarHBondContact O-OG1 3.14Å; L1378-G1382 PolarHBondContact O-N 3.47Å; L1378-G1382 VanDerWaalsContact O-N 3.14Å
1379C78.2Confident83.7Confident3 Ų329.2 Ų29.22%0.0216%0.163CC..Hα-helixtrans-60.5-37.7172.2-60.70000111.5N1368 N1369 F1370 Y1375 T1381 G1382N1368-C1379 VanDerWaalsContact C-SG 3.58Å; N1368-C1379 PolarHBondContact OD1-SG 3.15Å; N1369-C1379 VanDerWaalsContact C-SG 3.57Å; N1369-C1379 PolarHBondContact N-SG 3.36Å; N1369-C1379 PolarHBondContact O-SG 2.88Å; F1370-C1379 HydrophobicContact CE1-CB 3.88Å; F1370-C1379 HydrophobicContact CE2-CB 4.22Å; F1370-C1379 HydrophobicContact CZ-CB 3.68Å; Y1375-C1379 PolarHBondContact O-N 2.95Å; Y1375-C1379 PolarHBondContact O-SG 2.99Å; C1379-T1381 VanDerWaalsContact C-N 3.27Å; C1379-T1381 PolarHBondContact O-N 3.08Å; C1379-G1382 PolarHBondContact O-N 3.05Å; C1379-G1382 VanDerWaalsContact O-N 3.08Å
1380A73.3Confident83.8Confident8 Ų830.6 Ų30.67%0.06617%0.17CC..Hα-helixtrans-73.2-16.7175.700000113.1F1341 A1376 V1377 L1378 F1418F1341-A1380 HydrophobicContact CD1-CB 3.95Å; F1341-A1380 HydrophobicContact CE1-CB 4.09Å; F1341-A1380 WeakPolarHBondContact CE1-O 3.44Å; A1376-A1380 WeakPolarHBondContact O-CB 3.32Å; A1376-A1380 PolarHBondContact O-N 3.42Å; A1376-A1380 VanDerWaalsContact O-N 3.12Å; V1377-A1380 PolarHBondContact O-N 2.96Å; L1378-A1380 VanDerWaalsContact C-N 3.28Å; L1378-A1380 PolarHBondContact O-N 3.07Å; A1380-F1418 HydrophobicContact CB-CE2 4.33Å; A1380-F1418 HydrophobicContact CB-CZ 4.11Å; A1380-F1418 WeakPolarHBondContact O-CE1 3.47Å; A1380-F1418 WeakPolarHBondContact O-CZ 3.48Å
1381T70.1Confident83.7Confident52 Ų5231.1 Ų31.132%0.31918%0.175SC..THydrogen-bonded Turntrans-94.77166.152.90000113F1341 V1377 L1378 C1379F1341-T1381 HydrophobicContact CD1-CG2 4.24Å; F1341-T1381 HydrophobicContact CE1-CG2 3.4Å; F1341-T1381 HydrophobicContact CZ-CG2 3.87Å; V1377-T1381 PolarHBondContact O-N 3.34Å; V1377-T1381 VanDerWaalsContact O-N 3.08Å; V1377-T1381 PolarHBondContact O-OG1 2.89Å; L1378-T1381 WeakPolarHBondContact CA-OG1 3.27Å; L1378-T1381 CarbonylContact O-C 3.52Å; L1378-T1381 WeakPolarHBondContact O-CA 3.33Å; L1378-T1381 PolarHBondContact O-N 3.37Å; L1378-T1381 PolarHBondContact O-OG1 3.14Å; C1379-T1381 VanDerWaalsContact C-N 3.27Å; C1379-T1381 PolarHBondContact O-N 3.08Å
1382G61.9Low83.8Confident15 Ų1529.5 Ų29.516%0.15517%0.167CC..  trans-70.8138.1-16700000114.4L1378 C1379L1378-G1382 PolarHBondContact O-N 3.47Å; L1378-G1382 VanDerWaalsContact O-N 3.14Å; C1379-G1382 PolarHBondContact O-N 3.05Å; C1379-G1382 VanDerWaalsContact O-N 3.08Å
1383E75.8Confident83.9Confident39 Ų3928.7 Ų28.718%0.18216%0.161CC..SBendtrans-64.8157.8159.2-153.1178.9136.600109.7G330 W331 T332 W1385G330-E1383 WeakPolarHBondContact CA-OE1 3.21Å; G330-E1383 VanDerWaalsContact N-CD 3.31Å; G330-E1383 PolarHBondContact N-OE1 3.07Å; G330-E1383 PolarHBondContact N-OE2 3.07Å; W331-E1383 PolarHBondContact N-OE2 3.08Å; T332-E1383 HydrophobicContact CG2-CB 3.95Å; T332-E1383 PolarHBondContact OG1-OE2 2.78Å; E1383-W1385 VanDerWaalsContact C-N 3.3Å; E1383-W1385 PolarHBondContact O-N 3.47Å
1384S84.3Confident83.8Confident42 Ų4233.3 Ų33.329%0.29418%0.178SC..  trans57.936.8-179.7-67.40000114.6E1081 Q1386 E1387 I1388E1081-S1384 WeakPolarHBondContact OE2-CA 3.2Å; E1081-S1384 PolarHBondContact OE2-N 3.41Å; S1384-Q1386 PolarHBondContact O-N 2.88Å; S1384-E1387 PolarHBondContact O-N 3.02Å; S1384-I1388 PolarHBondContact O-N 2.86Å
1385W89.3Confident83.7Confident7 Ų731 Ų313%0.02717%0.17CC..Hα-helixtrans-57.2-28.9-175.570.1-91.6000113.5F1075 T1076 T1079 E1081 E1383 E1387 I1388 M1389 F1415 V1416 N1419F1075-W1385 AromaticContact CD1-CH2 3.91Å; F1075-W1385 HydrophobicContact CD1-CH2 3.91Å; F1075-W1385 HydrophobicContact CD1-CZ2 4.28Å; F1075-W1385 AromaticContact CE1-CH2 3.83Å; F1075-W1385 HydrophobicContact CE1-CH2 3.83Å; F1075-W1385 HydrophobicContact CE1-CZ2 4.08Å; T1076-W1385 HydrophobicContact CG2-CH2 3.67Å; T1076-W1385 HydrophobicContact CG2-CZ2 3.78Å; T1079-W1385 HydrophobicContact CG2-CZ2 3.95Å; E1081-W1385 VanDerWaalsContact CD-CD1 3.49Å; E1081-W1385 PolarHBondContact OE1-NE1 2.97Å; E1383-W1385 VanDerWaalsContact C-N 3.3Å; E1383-W1385 PolarHBondContact O-N 3.47Å; W1385-E1387 VanDerWaalsContact C-N 3.26Å; W1385-E1387 PolarHBondContact O-N 3Å; W1385-I1388 PolarHBondContact O-N 3.22Å; W1385-M1389 HydrophobicContact CE3-CB 4.5Å; W1385-M1389 HydrophobicContact CE3-SD 4.45Å; W1385-M1389 HydrophobicContact CZ3-CE 4.27Å; W1385-M1389 HydrophobicContact CZ3-SD 3.79Å; W1385-M1389 VanDerWaalsContact O-CB 3.31Å; W1385-M1389 WeakPolarHBondContact O-CB 3.39Å; W1385-M1389 PolarHBondContact O-N 3.19Å; W1385-F1415 HydrophobicContact CB-CD1 4.4Å; W1385-F1415 HydrophobicContact CE3-CB 3.79Å; W1385-F1415 HydrophobicContact CE3-CD1 4.43Å; W1385-F1415 HydrophobicContact CE3-CG 4.4Å; W1385-F1415 HydrophobicContact CZ3-CB 3.97Å; W1385-V1416 HydrophobicContact CH2-CG2 4.46Å; W1385-V1416 HydrophobicContact CZ3-CG2 4.47Å; W1385-N1419 VanDerWaalsContact CG-ND2 3.29Å
1386Q90.2Very high83.6Confident4 Ų430.8 Ų30.82%0.01917%0.172CC..Hα-helixtrans-61.6-33.2176.863.7-77.1-7.500112.4F1062 T1076 E1081 S1384 L1390F1062-Q1386 HydrophobicContact CE2-CB 4.01Å; F1062-Q1386 HydrophobicContact CE2-CG 4.21Å; F1062-Q1386 HydrophobicContact CZ-CB 3.79Å; F1062-Q1386 HydrophobicContact CZ-CG 4.49Å; T1076-Q1386 HydrophobicContact CG2-CB 3.94Å; E1081-Q1386 VanDerWaalsContact CB-OE1 3.27Å; E1081-Q1386 PolarHBondContact OE2-OE1 3.24Å; S1384-Q1386 PolarHBondContact O-N 2.88Å; Q1386-L1390 WeakPolarHBondContact O-CG 3.05Å; Q1386-L1390 PolarHBondContact O-N 3.4Å
1387E88Confident83.4Confident83 Ų8336.5 Ų36.539%0.38820%0.198SC..Hα-helixtrans-83.8-38179.2-51.4-161.3170.400111.2Q1363 S1384 W1385 M1389 L1390 A1391Q1363-E1387 HydrophobicContact CG-CB 3.84Å; Q1363-E1387 PolarHBondContact NE2-OE2 2.96Å; S1384-E1387 PolarHBondContact O-N 3.02Å; W1385-E1387 VanDerWaalsContact C-N 3.26Å; W1385-E1387 PolarHBondContact O-N 3Å; E1387-M1389 PolarHBondContact O-N 3.17Å; E1387-L1390 PolarHBondContact O-N 2.72Å; E1387-L1390 VanDerWaalsContact O-N 3.12Å; E1387-A1391 WeakPolarHBondContact O-CB 3.44Å; E1387-A1391 PolarHBondContact O-N 3.23Å
1388I88.8Confident83.2Confident3 Ų335.2 Ų35.22%0.01519%0.191CC..Hα-helixtrans-59.7-38.4171-50.6176000110.2I1364 N1368 F1370 S1384 W1385 A1391 C1392 F1415I1364-I1388 HydrophobicContact CD1-CG2 4.17Å; N1368-I1388 WeakPolarHBondContact ND2-CD1 3.42Å; F1370-I1388 HydrophobicContact CE2-CG2 4.26Å; S1384-I1388 PolarHBondContact O-N 2.86Å; W1385-I1388 PolarHBondContact O-N 3.22Å; I1388-A1391 PolarHBondContact O-N 3.02Å; I1388-C1392 WeakPolarHBondContact O-CB 3.39Å; I1388-C1392 PolarHBondContact O-N 3.49Å; I1388-C1392 PolarHBondContact O-SG 3.26Å; I1388-F1415 HydrophobicContact CB-CE1 4.39Å; I1388-F1415 HydrophobicContact CB-CZ 4.2Å; I1388-F1415 HydrophobicContact CG2-CE1 4.19Å; I1388-F1415 HydrophobicContact CG2-CZ 3.68Å
1389M91.1Very high83.1Confident0 Ų037.1 Ų37.10%020%0.204CC..Hα-helixtrans-61.2-42.2174.1177-172.568.100112.7F1062 L1072 W1385 E1387 C1392 S1411 Y1412 F1415F1062-M1389 HydrophobicContact CE1-CE 4.06Å; F1062-M1389 HydrophobicContact CZ-CE 3.81Å; L1072-M1389 HydrophobicContact CD1-CE 4.47Å; L1072-M1389 HydrophobicContact CD2-CE 4.4Å; W1385-M1389 HydrophobicContact CE3-CB 4.5Å; W1385-M1389 HydrophobicContact CE3-SD 4.45Å; W1385-M1389 HydrophobicContact CZ3-CE 4.27Å; W1385-M1389 HydrophobicContact CZ3-SD 3.79Å; W1385-M1389 VanDerWaalsContact O-CB 3.31Å; W1385-M1389 WeakPolarHBondContact O-CB 3.39Å; W1385-M1389 PolarHBondContact O-N 3.19Å; E1387-M1389 PolarHBondContact O-N 3.17Å; M1389-C1392 PolarHBondContact O-N 2.7Å; M1389-S1411 WeakPolarHBondContact O-CB 3.32Å; M1389-S1411 PolarHBondContact O-OG 2.95Å; M1389-S1411 VanDerWaalsContact O-OG 3.04Å; M1389-Y1412 HydrophobicContact CE-CD1 3.93Å; M1389-Y1412 HydrophobicContact CE-CE1 4.12Å; M1389-Y1412 HydrophobicContact CG-CD1 4.1Å; M1389-Y1412 HydrophobicContact SD-CD1 3.65Å; M1389-Y1412 HydrophobicContact SD-CE1 4.36Å; M1389-Y1412 HydrophobicContact SD-CG 4.49Å; M1389-F1415 HydrophobicContact CB-CB 4.11Å; M1389-F1415 HydrophobicContact CB-CD2 3.55Å; M1389-F1415 HydrophobicContact CB-CE2 4.14Å; M1389-F1415 HydrophobicContact CB-CG 3.85Å; M1389-F1415 HydrophobicContact CG-CB 4.13Å; M1389-F1415 HydrophobicContact CG-CD2 3.85Å; M1389-F1415 HydrophobicContact CG-CG 4.25Å; M1389-F1415 HydrophobicContact SD-CB 4.22Å
1390L89.3Confident82.7Confident33 Ų3341.1 Ų41.117%0.17323%0.225CC..Hα-helixtrans-68.4-44.2176.2-71.5167.4000111.2D1061 F1062 Q1386 E1387 C1392 T1393D1061-L1390 HydrophobicContact CB-CD1 3.69Å; D1061-L1390 HydrophobicContact CB-CD2 4.28Å; F1062-L1390 HydrophobicContact CD2-CD1 4.47Å; F1062-L1390 HydrophobicContact CE2-CD1 3.7Å; F1062-L1390 HydrophobicContact CZ-CD1 4.08Å; F1062-L1390 HydrophobicContact CZ-CG 4.48Å; Q1386-L1390 WeakPolarHBondContact O-CG 3.05Å; Q1386-L1390 PolarHBondContact O-N 3.4Å; E1387-L1390 PolarHBondContact O-N 2.72Å; E1387-L1390 VanDerWaalsContact O-N 3.12Å; L1390-C1392 PolarHBondContact O-N 3.07Å; L1390-C1392 VanDerWaalsContact O-N 3.12Å; L1390-T1393 WeakPolarHBondContact O-CB 3.09Å; L1390-T1393 VanDerWaalsContact O-CG2 3.32Å; L1390-T1393 WeakPolarHBondContact O-CG2 3.42Å; L1390-T1393 PolarHBondContact O-N 3.25Å; L1390-T1393 PolarHBondContact O-OG1 3.11Å
1391A87.2Confident82.1Confident16 Ų1652.2 Ų52.213%0.13227%0.265CS..Hα-helixtrans-65.6-10.4174.500000113.8Q1363 I1364 E1387 I1388 Q1396Q1363-A1391 HydrophobicContact CB-CB 4.32Å; I1364-A1391 HydrophobicContact CD1-CB 4.49Å; I1364-A1391 HydrophobicContact CG1-CB 4.03Å; E1387-A1391 WeakPolarHBondContact O-CB 3.44Å; E1387-A1391 PolarHBondContact O-N 3.23Å; I1388-A1391 PolarHBondContact O-N 3.02Å; A1391-Q1396 WeakPolarHBondContact O-CG 3.04Å
1392C89Confident81.5Confident0 Ų054.6 Ų54.60%029%0.29CS..THydrogen-bonded Turntrans-100.10.6173.6-70.40000114.6F1352 I1388 M1389 L1390 S1408 F1415F1352-C1392 HydrophobicContact CD1-CB 3.74Å; F1352-C1392 HydrophobicContact CE1-CB 3.78Å; F1352-C1392 HydrophobicContact CG-CB 4.23Å; F1352-C1392 HydrophobicContact CZ-CB 4.3Å; I1388-C1392 WeakPolarHBondContact O-CB 3.39Å; I1388-C1392 PolarHBondContact O-N 3.49Å; I1388-C1392 PolarHBondContact O-SG 3.26Å; M1389-C1392 PolarHBondContact O-N 2.7Å; L1390-C1392 PolarHBondContact O-N 3.07Å; L1390-C1392 VanDerWaalsContact O-N 3.12Å; C1392-S1408 PolarHBondContact O-N 3.3Å; C1392-F1415 HydrophobicContact CB-CE2 4.31Å
1393T89.2Confident81.5Confident23 Ų2356.7 Ų56.714%0.14130%0.302CS..SBendtrans-67.2168.8-179.256.50000113.4L1390 G1395 Q1396 G1407 Y1412L1390-T1393 WeakPolarHBondContact O-CB 3.09Å; L1390-T1393 VanDerWaalsContact O-CG2 3.32Å; L1390-T1393 WeakPolarHBondContact O-CG2 3.42Å; L1390-T1393 PolarHBondContact O-N 3.25Å; L1390-T1393 PolarHBondContact O-OG1 3.11Å; T1393-G1395 PolarHBondContact O-N 2.9Å; T1393-Q1396 WeakPolarHBondContact O-CG 3.41Å; T1393-G1407 CarbonylContact O-C 3.51Å; T1393-G1407 VanDerWaalsContact O-CA 3.31Å; T1393-G1407 WeakPolarHBondContact O-CA 3.37Å; T1393-Y1412 HydrophobicContact CG2-CE1 4.49Å; T1393-Y1412 HydrophobicContact CG2-CE2 4.06Å
1394Y86.1Confident81Confident148 Ų14861.6 Ų61.658%0.5833%0.33SS*.THydrogen-bonded Turntrans-71.1124.7177175.8-101.4000112.2N1405 N1409Y1394-N1405 HydrophobicContact CE2-CB 4.1Å; Y1394-N1409 WeakPolarHBondContact CB-OD1 3.38Å; Y1394-N1409 PolarHBondContact N-OD1 2.8Å; Y1394-N1409 VanDerWaalsContact N-OD1 3.13Å
1395G82.6Confident80.6Confident40 Ų4063.3 Ų63.341%0.41234%0.336SS..THydrogen-bonded Turntrans135.6-12.4175.300000114.4T1393 C1406T1393-G1395 PolarHBondContact O-N 2.9Å; G1395-C1406 PolarHBondContact N-O 3.31Å
1396Q84.8Confident80.2Confident63 Ų6363.5 Ų63.529%0.29434%0.338SS..BIsolated β-bridgetrans-65.4158.2-174.7-58.9-64.4-16.700113.2I1355 A1391 T1393 C1406I1355-Q1396 HydrophobicContact CG1-CB 4.48Å; I1355-Q1396 HydrophobicContact CG2-CB 4.11Å; A1391-Q1396 WeakPolarHBondContact O-CG 3.04Å; T1393-Q1396 WeakPolarHBondContact O-CG 3.41Å; Q1396-C1406 PolarHBondContact N-O 2.68Å; Q1396-C1406 PolarHBondContact O-N 3.15Å
1397E83.4Confident79.7Confident121 Ų12164.1 Ų64.157%0.56535%0.345SS*.  trans-70.2151.2177.1-61.6-166.8122.200112.3I1355 A1356 N1358I1355-E1397 WeakPolarHBondContact CA-O 3.44Å; A1356-E1397 HydrophobicContact CB-CB 3.99Å; A1356-E1397 PolarHBondContact N-O 3.41Å; N1358-E1397 PolarHBondContact ND2-OE2 2.57Å
1398C83.3Confident79.6Confident14 Ų1462.1 Ų62.110%0.09534%0.34CS..BIsolated β-bridgetrans-109.1138.8178.5-64.20000111.3N1400 S1403 C1406C1398-N1400 PolarHBondContact O-N 3.33Å; C1398-S1403 WeakPolarHBondContact CB-O 3.29Å; C1398-S1403 PolarHBondContact SG-O 2.82Å; C1398-S1403 PolarHBondContact SG-OG 3.15Å; C1398-S1403 VanDerWaalsContact SG-OG 3.36Å; C1398-C1406 VanDerWaalsContact CA-SG 3.53Å; C1398-C1406 HydrophobicContact CB-CB 4.16Å; C1398-C1406 WeakPolarHBondContact CB-SG 3.38Å; C1398-C1406 VanDerWaalsContact SG-CA 3.59Å; C1398-C1406 WeakPolarHBondContact SG-CB 3.22Å; C1398-C1406 PolarHBondContact SG-N 3.4Å; C1398-C1406 CovalentContact SG-SG 2.03Å; C1398-C1406 PolarHBondContact SG-SG 3.32Å
1399V79Confident79.5Confident66 Ų6666.7 Ų66.740%0.437%0.365SS..SBendtrans-54.2-41.3171.6-178.90000111.4V880 T1354 I1355V880-V1399 HydrophobicContact CG1-CB 4.24Å; V880-V1399 HydrophobicContact CG1-CG1 3.83Å; V880-V1399 HydrophobicContact CG1-CG2 4.49Å; T1354-V1399 PolarHBondContact O-N 2.86Å; I1355-V1399 WeakPolarHBondContact O-CG2 3.27Å
1400N69.3Low79.2Confident87 Ų8768.6 Ų68.647%0.46538%0.381SS..SBendtrans-93.5102.5175.5-69.1-56.7000110.4V880 C1398 A1402 S1403V880-N1400 PolarHBondContact O-ND2 3.48Å; C1398-N1400 PolarHBondContact O-N 3.33Å; N1400-A1402 PolarHBondContact O-N 3.31Å; N1400-S1403 PolarHBondContact O-N 3.47Å
1401R60.4Low79.3Confident241 Ų24167 Ų6791%0.90937%0.372SS*.THydrogen-bonded Turntrans-57.92.6178.2-65.2-178.1177.3167.3-1116.2S1403R1401-S1403 VanDerWaalsContact C-N 3.28Å
1402A57.8Low79.4Confident102 Ų10270.1 Ų70.184%0.84338%0.381SS*.THydrogen-bonded Turntrans-77.4-12173.700000113.5N1400N1400-A1402 PolarHBondContact O-N 3.31Å
1403S61.7Low79.4Confident59 Ų5974.9 Ų74.941%0.41341%0.411SS..SBendtrans-127.4121170.149.20000109.3C1398 N1400 R1401 N1405C1398-S1403 WeakPolarHBondContact CB-O 3.29Å; C1398-S1403 PolarHBondContact SG-O 2.82Å; C1398-S1403 PolarHBondContact SG-OG 3.15Å; C1398-S1403 VanDerWaalsContact SG-OG 3.36Å; N1400-S1403 PolarHBondContact O-N 3.47Å; R1401-S1403 VanDerWaalsContact C-N 3.28Å; S1403-N1405 VanDerWaalsContact C-N 3.33Å; S1403-N1405 PolarHBondContact O-N 3.3Å
1404N65.8Low79.5Confident141 Ų14174.5 Ų74.575%0.75441%0.407SS*.SBendtrans-70.4-24.1-171.8-62.928.3000114.4
1405N75.6Confident79.8Confident79 Ų7967.7 Ų67.742%0.42238%0.38SS..  trans-136.1130.3-173.3-57.974.9000110.5Y1394 S1403Y1394-N1405 HydrophobicContact CE2-CB 4.1Å; S1403-N1405 VanDerWaalsContact C-N 3.33Å; S1403-N1405 PolarHBondContact O-N 3.3Å
1406C81.1Confident80.1Confident10 Ų1067.9 Ų67.97%0.06837%0.373CS..BIsolated β-bridgetrans-114.9-177.3174-86.50000111T1354 I1355 G1395 Q1396 C1398T1354-C1406 PolarHBondContact OG1-SG 3.13Å; I1355-C1406 HydrophobicContact CG1-CB 4.07Å; G1395-C1406 PolarHBondContact N-O 3.31Å; Q1396-C1406 PolarHBondContact N-O 2.68Å; Q1396-C1406 PolarHBondContact O-N 3.15Å; C1398-C1406 VanDerWaalsContact CA-SG 3.53Å; C1398-C1406 HydrophobicContact CB-CB 4.16Å; C1398-C1406 WeakPolarHBondContact CB-SG 3.38Å; C1398-C1406 VanDerWaalsContact SG-CA 3.59Å; C1398-C1406 WeakPolarHBondContact SG-CB 3.22Å; C1398-C1406 PolarHBondContact SG-N 3.4Å; C1398-C1406 CovalentContact SG-SG 2.03Å; C1398-C1406 PolarHBondContact SG-SG 3.32Å
1407G80.9Confident80.4Confident17 Ų1766.5 Ų66.518%0.17537%0.37CS..  trans76176.3-178.300000113.9T1393T1393-G1407 CarbonylContact O-C 3.51Å; T1393-G1407 VanDerWaalsContact O-CA 3.31Å; T1393-G1407 WeakPolarHBondContact O-CA 3.37Å
1408S84.8Confident80.7Confident41 Ų4161.1 Ų61.129%0.28735%0.345SS..  trans-159.2136.3-172.2179.50000112.4C1392 A1410 S1411C1392-S1408 PolarHBondContact O-N 3.3Å; S1408-A1410 PolarHBondContact O-N 3.3Å; S1408-A1410 WeakPolarHBondContact OG-CB 3.47Å; S1408-A1410 PolarHBondContact OG-N 3.44Å; S1408-S1411 WeakPolarHBondContact O-CB 3.28Å; S1408-S1411 PolarHBondContact O-N 2.84Å; S1408-S1411 PolarHBondContact O-OG 2.83Å
1409N87.3Confident80.9Confident100 Ų10061.7 Ų61.754%0.53535%0.347SS..THydrogen-bonded Turntrans-65.5-0.5173.4-644.7000113.5Y1394 S1411 Y1412Y1394-N1409 WeakPolarHBondContact CB-OD1 3.38Å; Y1394-N1409 PolarHBondContact N-OD1 2.8Å; Y1394-N1409 VanDerWaalsContact N-OD1 3.13Å; N1409-S1411 PolarHBondContact O-N 2.87Å; N1409-Y1412 WeakPolarHBondContact O-CD2 3.38Å
1410A85.2Confident81.2Confident40 Ų4061.6 Ų61.633%0.33134%0.342SS..THydrogen-bonded Turntrans-68.6-12163.300000113.2S1408 Y1412 T1413 Y1414S1408-A1410 PolarHBondContact O-N 3.3Å; S1408-A1410 WeakPolarHBondContact OG-CB 3.47Å; S1408-A1410 PolarHBondContact OG-N 3.44Å; A1410-Y1412 PolarHBondContact O-N 3.01Å; A1410-T1413 PolarHBondContact O-N 2.85Å; A1410-Y1414 WeakPolarHBondContact O-CB 3.4Å; A1410-Y1414 PolarHBondContact O-N 3.23Å
1411S89.8Confident82Confident0 Ų061.5 Ų61.50%034%0.337CS..Hα-helixtrans-54.9-47.3176.464.10000112M1389 S1408 N1409 T1413 Y1414 F1415M1389-S1411 WeakPolarHBondContact O-CB 3.32Å; M1389-S1411 PolarHBondContact O-OG 2.95Å; M1389-S1411 VanDerWaalsContact O-OG 3.04Å; S1408-S1411 WeakPolarHBondContact O-CB 3.28Å; S1408-S1411 PolarHBondContact O-N 2.84Å; S1408-S1411 PolarHBondContact O-OG 2.83Å; N1409-S1411 PolarHBondContact O-N 2.87Å; S1411-T1413 VanDerWaalsContact C-N 3.33Å; S1411-T1413 PolarHBondContact O-N 2.6Å; S1411-Y1414 PolarHBondContact O-N 2.7Å; S1411-Y1414 VanDerWaalsContact O-N 3.12Å; S1411-F1415 WeakPolarHBondContact O-CD2 3.45Å; S1411-F1415 PolarHBondContact O-N 2.8Å
1412Y91.2Very high83.3Confident81 Ų8150.9 Ų50.932%0.31830%0.3SS..Hα-helixtrans-52-49.6176-59.7-67.1000112.3L1072 M1389 T1393 N1409 A1410 V1416L1072-Y1412 HydrophobicContact CD2-CD1 3.56Å; L1072-Y1412 HydrophobicContact CD2-CE1 3.79Å; L1072-Y1412 HydrophobicContact CD2-CG 4.5Å; M1389-Y1412 HydrophobicContact CE-CD1 3.93Å; M1389-Y1412 HydrophobicContact CE-CE1 4.12Å; M1389-Y1412 HydrophobicContact CG-CD1 4.1Å; M1389-Y1412 HydrophobicContact SD-CD1 3.65Å; M1389-Y1412 HydrophobicContact SD-CE1 4.36Å; M1389-Y1412 HydrophobicContact SD-CG 4.49Å; T1393-Y1412 HydrophobicContact CG2-CE1 4.49Å; T1393-Y1412 HydrophobicContact CG2-CE2 4.06Å; N1409-Y1412 WeakPolarHBondContact O-CD2 3.38Å; A1410-Y1412 PolarHBondContact O-N 3.01Å; Y1412-V1416 VanDerWaalsContact O-CB 3.27Å; Y1412-V1416 WeakPolarHBondContact O-CB 3.19Å; Y1412-V1416 WeakPolarHBondContact O-CG2 3.39Å; Y1412-V1416 PolarHBondContact O-N 3.47Å; Y1412-V1416 VanDerWaalsContact O-N 3.12Å
1413T89Confident84.5Confident100 Ų10049.6 Ų49.661%0.61329%0.285SS*.Hα-helixtrans-65.6-44.3178-52.70000111.6A1410 S1411 S1417A1410-T1413 PolarHBondContact O-N 2.85Å; S1411-T1413 VanDerWaalsContact C-N 3.33Å; S1411-T1413 PolarHBondContact O-N 2.6Å; T1413-S1417 VanDerWaalsContact O-CB 3.25Å; T1413-S1417 WeakPolarHBondContact O-CB 3.38Å; T1413-S1417 PolarHBondContact O-N 2.88Å; T1413-S1417 PolarHBondContact O-OG 2.75Å
1414Y90.8Very high85.5Confident15 Ų1547.5 Ų47.56%0.05927%0.268CS..Hα-helixtrans-60.6-50.6-178.2171.8-85.7000111.9Y1344 V1347 F1352 A1410 S1411 S1417 F1418Y1344-Y1414 AromaticContact CD1-CD2 3.86Å; Y1344-Y1414 HydrophobicContact CD1-CD2 3.86Å; Y1344-Y1414 AromaticContact CD1-CE2 3.57Å; Y1344-Y1414 HydrophobicContact CD1-CE2 3.57Å; Y1344-Y1414 HydrophobicContact CD1-CG 4.47Å; Y1344-Y1414 AromaticContact CD1-CZ 3.93Å; Y1344-Y1414 HydrophobicContact CE1-CD2 4.26Å; Y1344-Y1414 HydrophobicContact CE1-CE2 4.4Å; Y1344-Y1414 HydrophobicContact CG-CE2 4.36Å; Y1344-Y1414 PolarHBondContact O-OH 2.83Å; V1347-Y1414 HydrophobicContact CB-CE2 4.2Å; V1347-Y1414 HydrophobicContact CG1-CD2 3.92Å; V1347-Y1414 HydrophobicContact CG1-CE2 3.91Å; F1352-Y1414 HydrophobicContact CE2-CD1 4.01Å; F1352-Y1414 HydrophobicContact CE2-CD2 4.28Å; F1352-Y1414 HydrophobicContact CE2-CE1 4.26Å; F1352-Y1414 HydrophobicContact CE2-CE2 4.49Å; F1352-Y1414 HydrophobicContact CE2-CG 4.04Å; A1410-Y1414 WeakPolarHBondContact O-CB 3.4Å; A1410-Y1414 PolarHBondContact O-N 3.23Å; S1411-Y1414 PolarHBondContact O-N 2.7Å; S1411-Y1414 VanDerWaalsContact O-N 3.12Å; Y1414-S1417 PolarHBondContact O-OG 3.31Å; Y1414-F1418 WeakPolarHBondContact O-CB 3.45Å; Y1414-F1418 PolarHBondContact O-N 3.03Å
1415F91.5Very high86.4Confident4 Ų441.7 Ų41.72%0.01824%0.237CC..Hα-helixtrans-73.7-41.9-177.3-78-79.7000112.4F1370 W1385 I1388 M1389 C1392 S1411 S1417 F1418 N1419F1370-F1415 HydrophobicContact CE2-CZ 4.34Å; F1370-F1415 HydrophobicContact CZ-CZ 4.07Å; W1385-F1415 HydrophobicContact CB-CD1 4.4Å; W1385-F1415 HydrophobicContact CE3-CB 3.79Å; W1385-F1415 HydrophobicContact CE3-CD1 4.43Å; W1385-F1415 HydrophobicContact CE3-CG 4.4Å; W1385-F1415 HydrophobicContact CZ3-CB 3.97Å; I1388-F1415 HydrophobicContact CB-CE1 4.39Å; I1388-F1415 HydrophobicContact CB-CZ 4.2Å; I1388-F1415 HydrophobicContact CG2-CE1 4.19Å; I1388-F1415 HydrophobicContact CG2-CZ 3.68Å; M1389-F1415 HydrophobicContact CB-CB 4.11Å; M1389-F1415 HydrophobicContact CB-CD2 3.55Å; M1389-F1415 HydrophobicContact CB-CE2 4.14Å; M1389-F1415 HydrophobicContact CB-CG 3.85Å; M1389-F1415 HydrophobicContact CG-CB 4.13Å; M1389-F1415 HydrophobicContact CG-CD2 3.85Å; M1389-F1415 HydrophobicContact CG-CG 4.25Å; M1389-F1415 HydrophobicContact SD-CB 4.22Å; C1392-F1415 HydrophobicContact CB-CE2 4.31Å; S1411-F1415 WeakPolarHBondContact O-CD2 3.45Å; S1411-F1415 PolarHBondContact O-N 2.8Å; F1415-S1417 PolarHBondContact O-N 2.98Å; F1415-F1418 PolarHBondContact O-N 2.94Å; F1415-N1419 PolarHBondContact O-N 2.79Å
1416V90.2Very high86.7Confident44 Ų4439.3 Ų39.327%0.26722%0.223SC..Hα-helixtrans-64.8-40.8176.9173.40000111.5L1072 F1075 W1385 Y1412 F1420L1072-V1416 HydrophobicContact CD1-CG2 3.73Å; F1075-V1416 HydrophobicContact CD1-CG1 4.24Å; F1075-V1416 HydrophobicContact CD1-CG2 4.06Å; F1075-V1416 HydrophobicContact CE1-CB 4.26Å; F1075-V1416 HydrophobicContact CE1-CG1 3.9Å; F1075-V1416 HydrophobicContact CE1-CG2 4.04Å; F1075-V1416 HydrophobicContact CE2-CG1 4.39Å; F1075-V1416 HydrophobicContact CZ-CG1 3.98Å; W1385-V1416 HydrophobicContact CH2-CG2 4.46Å; W1385-V1416 HydrophobicContact CZ3-CG2 4.47Å; Y1412-V1416 VanDerWaalsContact O-CB 3.27Å; Y1412-V1416 WeakPolarHBondContact O-CB 3.19Å; Y1412-V1416 WeakPolarHBondContact O-CG2 3.39Å; Y1412-V1416 PolarHBondContact O-N 3.47Å; Y1412-V1416 VanDerWaalsContact O-N 3.12Å; V1416-F1420 WeakPolarHBondContact O-CB 3.42Å; V1416-F1420 PolarHBondContact O-N 2.71Å
1417S89.9Confident86.6Confident34 Ų3440.2 Ų40.224%0.23823%0.227CC..Hα-helixtrans-71.8-37.7175.875.90000112.2Y1344 T1413 Y1414 F1415 F1421Y1344-S1417 PolarHBondContact OH-OG 3.16Å; T1413-S1417 VanDerWaalsContact O-CB 3.25Å; T1413-S1417 WeakPolarHBondContact O-CB 3.38Å; T1413-S1417 PolarHBondContact O-N 2.88Å; T1413-S1417 PolarHBondContact O-OG 2.75Å; Y1414-S1417 PolarHBondContact O-OG 3.31Å; F1415-S1417 PolarHBondContact O-N 2.98Å; S1417-F1421 WeakPolarHBondContact O-CD2 3.42Å; S1417-F1421 PolarHBondContact O-N 2.98Å
1418F90.6Very high86.3Confident9 Ų939.5 Ų39.54%0.03922%0.219CC..Hα-helixtrans-57.9-55.1175.4176.5-100.8000111.1L1340 F1341 Y1344 A1380 Y1414 F1415 F1420 F1421 C1422L1340-F1418 HydrophobicContact CD2-CE2 4.41Å; F1341-F1418 HydrophobicContact CD1-CE2 4.38Å; F1341-F1418 HydrophobicContact CD1-CZ 4.21Å; F1341-F1418 HydrophobicContact CE1-CE2 4.23Å; F1341-F1418 AromaticContact CE1-CZ 3.63Å; F1341-F1418 HydrophobicContact CE1-CZ 3.63Å; F1341-F1418 HydrophobicContact CZ-CE2 4.49Å; F1341-F1418 AromaticContact CZ-CZ 3.83Å; F1341-F1418 HydrophobicContact CZ-CZ 3.83Å; Y1344-F1418 HydrophobicContact CD1-CB 3.73Å; Y1344-F1418 AromaticContact CD1-CD2 3.7Å; Y1344-F1418 HydrophobicContact CD1-CD2 3.7Å; Y1344-F1418 HydrophobicContact CD1-CG 4.12Å; Y1344-F1418 AromaticContact CD2-CD2 3.96Å; Y1344-F1418 HydrophobicContact CD2-CD2 3.96Å; Y1344-F1418 HydrophobicContact CE1-CB 3.58Å; Y1344-F1418 HydrophobicContact CE1-CD2 4.16Å; Y1344-F1418 HydrophobicContact CE1-CG 4.37Å; Y1344-F1418 HydrophobicContact CE2-CD2 4.39Å; Y1344-F1418 HydrophobicContact CG-CB 4.47Å; Y1344-F1418 AromaticContact CG-CD2 3.58Å; Y1344-F1418 HydrophobicContact CG-CD2 3.58Å; Y1344-F1418 HydrophobicContact CG-CE2 4.36Å; Y1344-F1418 HydrophobicContact CG-CG 4.44Å; A1380-F1418 HydrophobicContact CB-CE2 4.33Å; A1380-F1418 HydrophobicContact CB-CZ 4.11Å; A1380-F1418 WeakPolarHBondContact O-CE1 3.47Å; A1380-F1418 WeakPolarHBondContact O-CZ 3.48Å; Y1414-F1418 WeakPolarHBondContact O-CB 3.45Å; Y1414-F1418 PolarHBondContact O-N 3.03Å; F1415-F1418 PolarHBondContact O-N 2.94Å; F1418-F1420 PolarHBondContact O-N 3.22Å; F1418-F1421 PolarHBondContact O-N 3.46Å; F1418-C1422 HydrophobicContact CE1-CB 4.05Å; F1418-C1422 HydrophobicContact CE2-CB 4.27Å; F1418-C1422 HydrophobicContact CZ-CB 3.92Å; F1418-C1422 WeakPolarHBondContact O-CB 3.42Å; F1418-C1422 PolarHBondContact O-N 2.93Å
1419N87.2Confident86Confident25 Ų2538.3 Ų38.313%0.13421%0.21CC..Hα-helixtrans-59.9-46.6-178.3-81.3-35.4000111.7W1385 F1415 F1421 C1422 S1423W1385-N1419 VanDerWaalsContact CG-ND2 3.29Å; F1415-N1419 PolarHBondContact O-N 2.79Å; N1419-F1421 PolarHBondContact O-N 3.49Å; N1419-C1422 PolarHBondContact O-N 3.22Å; N1419-S1423 WeakPolarHBondContact O-CB 3.33Å; N1419-S1423 PolarHBondContact O-N 3.41Å; N1419-S1423 PolarHBondContact O-OG 3.42Å; N1419-S1423 VanDerWaalsContact O-OG 3.06Å
1420F85.7Confident85.5Confident65 Ų6534.5 Ų34.529%0.28519%0.189SC..Hα-helixtrans-57-47.7176.5179.9-96.6000113L1001 V1416 F1418 F1424L1001-F1420 HydrophobicContact CD1-CE2 3.91Å; L1001-F1420 HydrophobicContact CD1-CZ 4.3Å; L1001-F1420 HydrophobicContact CD2-CE2 4.29Å; L1001-F1420 HydrophobicContact CD2-CZ 3.86Å; V1416-F1420 WeakPolarHBondContact O-CB 3.42Å; V1416-F1420 PolarHBondContact O-N 2.71Å; F1418-F1420 PolarHBondContact O-N 3.22Å; F1420-F1424 WeakPolarHBondContact O-CB 3.13Å; F1420-F1424 PolarHBondContact O-N 3.03Å
1421F85.6Confident85.2Confident84 Ų8432.7 Ų32.737%0.36817%0.173SC..Hα-helixtrans-73.9-33.6179.9-72.5-57.8000113.3L1340 S1417 F1418 N1419 L1425L1340-F1421 HydrophobicContact CD1-CB 4.16Å; L1340-F1421 HydrophobicContact CD2-CB 4.24Å; S1417-F1421 WeakPolarHBondContact O-CD2 3.42Å; S1417-F1421 PolarHBondContact O-N 2.98Å; F1418-F1421 PolarHBondContact O-N 3.46Å; N1419-F1421 PolarHBondContact O-N 3.49Å; F1421-L1425 WeakPolarHBondContact O-CB 3.46Å; F1421-L1425 WeakPolarHBondContact O-CG 3.32Å; F1421-L1425 PolarHBondContact O-N 2.95Å
1422C87.4Confident84.5Confident19 Ų1933.4 Ų33.413%0.12818%0.179CC..Hα-helixtrans-66.3-54.4177.2-169.10000110.4L1340 F1418 N1419 F1424 L1425 M1426L1340-C1422 HydrophobicContact CD2-CB 4.2Å; F1418-C1422 HydrophobicContact CE1-CB 4.05Å; F1418-C1422 HydrophobicContact CE2-CB 4.27Å; F1418-C1422 HydrophobicContact CZ-CB 3.92Å; F1418-C1422 WeakPolarHBondContact O-CB 3.42Å; F1418-C1422 PolarHBondContact O-N 2.93Å; N1419-C1422 PolarHBondContact O-N 3.22Å; C1422-F1424 VanDerWaalsContact C-N 3.3Å; C1422-F1424 PolarHBondContact O-N 3.41Å; C1422-L1425 PolarHBondContact O-N 2.86Å; C1422-M1426 WeakPolarHBondContact O-CB 3.45Å; C1422-M1426 VanDerWaalsContact O-CG 3.29Å; C1422-M1426 WeakPolarHBondContact O-CG 3.49Å; C1422-M1426 PolarHBondContact O-N 2.89Å
1423S83.7Confident83.8Confident75 Ų7529.7 Ų29.752%0.52417%0.165SC..Hα-helixtrans-59.3-39.4176.3-53.80000111.9N1419 L1427N1419-S1423 WeakPolarHBondContact O-CB 3.33Å; N1419-S1423 PolarHBondContact O-N 3.41Å; N1419-S1423 PolarHBondContact O-OG 3.42Å; N1419-S1423 VanDerWaalsContact O-OG 3.06Å; S1423-L1427 WeakPolarHBondContact O-CB 3.49Å; S1423-L1427 PolarHBondContact O-N 2.97Å
1424F83.4Confident83.1Confident15 Ų1525.2 Ų25.27%0.06614%0.137CC..Hα-helixtrans-65.8-46.9175.7-178.7-115.9000112.4V990 L994 V997 I1131 F1420 C1422 L1427 N1428V990-F1424 HydrophobicContact CG1-CD1 4.49Å; V990-F1424 HydrophobicContact CG1-CE1 3.71Å; V990-F1424 HydrophobicContact CG1-CZ 4.38Å; L994-F1424 HydrophobicContact CB-CE1 4Å; L994-F1424 HydrophobicContact CB-CZ 3.75Å; L994-F1424 HydrophobicContact CD1-CE1 3.96Å; L994-F1424 HydrophobicContact CD1-CE2 4.48Å; L994-F1424 HydrophobicContact CD1-CZ 3.92Å; L994-F1424 HydrophobicContact CG-CE1 4.38Å; L994-F1424 HydrophobicContact CG-CZ 4.39Å; V997-F1424 HydrophobicContact CG1-CE2 4.47Å; V997-F1424 HydrophobicContact CG2-CE2 4.18Å; I1131-F1424 HydrophobicContact CD1-CD2 3.99Å; I1131-F1424 HydrophobicContact CD1-CE2 3.75Å; I1131-F1424 HydrophobicContact CG1-CE2 4.45Å; F1420-F1424 WeakPolarHBondContact O-CB 3.13Å; F1420-F1424 PolarHBondContact O-N 3.03Å; C1422-F1424 VanDerWaalsContact C-N 3.3Å; C1422-F1424 PolarHBondContact O-N 3.41Å; F1424-L1427 PolarHBondContact O-N 2.98Å; F1424-N1428 WeakPolarHBondContact CD1-ND2 3.35Å; F1424-N1428 WeakPolarHBondContact CD2-ND2 3.46Å; F1424-N1428 VanDerWaalsContact CE1-ND2 3.26Å; F1424-N1428 WeakPolarHBondContact CE1-ND2 3.42Å; F1424-N1428 WeakPolarHBondContact CE2-ND2 3.35Å; F1424-N1428 WeakPolarHBondContact CZ-ND2 3.42Å; F1424-N1428 PolarHBondContact O-N 3.31Å; F1424-N1428 PolarHBondContact O-ND2 3.15Å
1425L83.9Confident82.3Confident18 Ų1825.9 Ų25.99%0.09414%0.141CC..Hα-helixtrans-68.1-37.9178.2-71.8-170.6000112.7V990 L1336 I1337 L1340 F1421 C1422 L1427 N1428 L1429V990-L1425 HydrophobicContact CG1-CD2 3.79Å; L1336-L1425 HydrophobicContact CD2-CD1 4.36Å; L1336-L1425 HydrophobicContact CD2-CD2 3.95Å; L1336-L1425 HydrophobicContact CG-CD1 4.15Å; I1337-L1425 HydrophobicContact CG1-CB 3.92Å; I1337-L1425 HydrophobicContact CG1-CD1 4.4Å; L1340-L1425 HydrophobicContact CB-CD1 4.25Å; L1340-L1425 HydrophobicContact CD2-CD1 4.16Å; F1421-L1425 WeakPolarHBondContact O-CB 3.46Å; F1421-L1425 WeakPolarHBondContact O-CG 3.32Å; F1421-L1425 PolarHBondContact O-N 2.95Å; C1422-L1425 PolarHBondContact O-N 2.86Å; L1425-L1427 VanDerWaalsContact C-N 3.34Å; L1425-N1428 PolarHBondContact O-N 3.11Å; L1425-L1429 WeakPolarHBondContact O-CB 3.16Å; L1425-L1429 PolarHBondContact O-N 3.3Å
1426M80.7Confident81.5Confident29 Ų2929.5 Ų29.514%0.14316%0.161CC..Hα-helixtrans-62.5-41.3172.9-72.4-66.5-76.700111.2F360 I1337 C1422 L1429 F1430F360-M1426 HydrophobicContact CD1-CE 3.91Å; F360-M1426 HydrophobicContact CD2-CE 3.56Å; F360-M1426 HydrophobicContact CE1-CE 3.93Å; F360-M1426 HydrophobicContact CE2-CE 3.58Å; F360-M1426 HydrophobicContact CG-CE 3.74Å; F360-M1426 HydrophobicContact CZ-CE 3.77Å; I1337-M1426 HydrophobicContact CD1-SD 3.93Å; I1337-M1426 HydrophobicContact CG2-SD 4.47Å; C1422-M1426 WeakPolarHBondContact O-CB 3.45Å; C1422-M1426 VanDerWaalsContact O-CG 3.29Å; C1422-M1426 WeakPolarHBondContact O-CG 3.49Å; C1422-M1426 PolarHBondContact O-N 2.89Å; M1426-L1429 WeakPolarHBondContact O-CB 3.29Å; M1426-L1429 PolarHBondContact O-N 2.91Å; M1426-L1429 HydrophobicContact SD-CD2 4.25Å; M1426-F1430 HydrophobicContact CE-CE1 3.7Å; M1426-F1430 HydrophobicContact CE-CZ 3.84Å; M1426-F1430 WeakPolarHBondContact O-CB 3.41Å; M1426-F1430 WeakPolarHBondContact O-CD1 3.38Å; M1426-F1430 WeakPolarHBondContact O-CG 3.33Å; M1426-F1430 PolarHBondContact O-N 3.26Å
1427L79Confident80.7Confident29 Ų2928.5 Ų28.515%0.15215%0.154CC..Hα-helixtrans-67.1-40.8175.3-179.952.7000112.7V1128 I1131 S1423 F1424 L1425 F1430 V1431V1128-L1427 HydrophobicContact CB-CD1 4.29Å; V1128-L1427 HydrophobicContact CB-CD2 4.45Å; V1128-L1427 HydrophobicContact CG1-CD1 4.11Å; V1128-L1427 HydrophobicContact CG2-CD1 3.81Å; V1128-L1427 HydrophobicContact CG2-CD2 3.75Å; V1128-L1427 HydrophobicContact CG2-CG 4.46Å; I1131-L1427 HydrophobicContact CD1-CD2 3.62Å; I1131-L1427 HydrophobicContact CD1-CG 3.87Å; S1423-L1427 WeakPolarHBondContact O-CB 3.49Å; S1423-L1427 PolarHBondContact O-N 2.97Å; F1424-L1427 PolarHBondContact O-N 2.98Å; L1425-L1427 VanDerWaalsContact C-N 3.34Å; L1427-F1430 PolarHBondContact O-N 3.49Å; L1427-V1431 HydrophobicContact CD1-CG2 4.13Å; L1427-V1431 WeakPolarHBondContact O-CG2 2.98Å; L1427-V1431 PolarHBondContact O-N 3.19Å
1428N76Confident79.8Confident2 Ų228.4 Ų28.41%0.01115%0.149CC..Hα-helixtrans-64.8-38.9173.1-71.6-74.2000111.7V990 S993 F1135 F1424 L1425 F1430 A1432V990-N1428 HydrophobicContact CG2-CB 4.09Å; S993-N1428 PolarHBondContact OG-OD1 3.28Å; F1135-N1428 HydrophobicContact CE2-CB 4.41Å; F1135-N1428 WeakPolarHBondContact CE2-OD1 3.26Å; F1135-N1428 HydrophobicContact CZ-CB 4.11Å; F1424-N1428 WeakPolarHBondContact CD1-ND2 3.35Å; F1424-N1428 WeakPolarHBondContact CD2-ND2 3.46Å; F1424-N1428 VanDerWaalsContact CE1-ND2 3.26Å; F1424-N1428 WeakPolarHBondContact CE1-ND2 3.42Å; F1424-N1428 WeakPolarHBondContact CE2-ND2 3.35Å; F1424-N1428 WeakPolarHBondContact CZ-ND2 3.42Å; F1424-N1428 PolarHBondContact O-N 3.31Å; F1424-N1428 PolarHBondContact O-ND2 3.15Å; L1425-N1428 PolarHBondContact O-N 3.11Å; N1428-F1430 VanDerWaalsContact C-N 3.33Å; N1428-A1432 WeakPolarHBondContact O-CB 3.38Å; N1428-A1432 PolarHBondContact O-N 2.9Å
1429L78.9Confident78.8Confident16 Ų1629.4 Ų29.48%0.08416%0.155CC..Hα-helixtrans-56.9-49.6169.9173.976.5000110L1330 V1333 I1337 L1425 M1426 V1431 A1432 V1433L1330-L1429 HydrophobicContact CB-CD1 4.17Å; L1330-L1429 HydrophobicContact CD1-CD1 4.1Å; L1330-L1429 HydrophobicContact CD2-CD1 4.13Å; L1330-L1429 HydrophobicContact CG-CD1 4.35Å; V1333-L1429 HydrophobicContact CB-CD1 3.7Å; V1333-L1429 HydrophobicContact CG1-CB 3.79Å; V1333-L1429 HydrophobicContact CG1-CD1 3.68Å; V1333-L1429 HydrophobicContact CG1-CG 4.37Å; I1337-L1429 HydrophobicContact CD1-CB 3.91Å; I1337-L1429 HydrophobicContact CD1-CD1 4.5Å; I1337-L1429 HydrophobicContact CD1-CD2 3.77Å; I1337-L1429 HydrophobicContact CD1-CG 4.27Å; L1425-L1429 WeakPolarHBondContact O-CB 3.16Å; L1425-L1429 PolarHBondContact O-N 3.3Å; M1426-L1429 WeakPolarHBondContact O-CB 3.29Å; M1426-L1429 PolarHBondContact O-N 2.91Å; M1426-L1429 HydrophobicContact SD-CD2 4.25Å; L1429-V1431 PolarHBondContact O-N 2.98Å; L1429-A1432 WeakPolarHBondContact O-CB 3.45Å; L1429-A1432 PolarHBondContact O-N 3.29Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.26Å; L1429-V1433 PolarHBondContact O-N 2.88Å
1430F76.7Confident78.1Confident20 Ų2031.2 Ų31.29%0.08816%0.161CC..Hα-helixtrans-63-45.6-174.4-70.78.9000111.6F360 I363 N364 L367 M1426 L1427 N1428 A1432 V1433 I1434F360-F1430 HydrophobicContact CB-CE1 4.27Å; F360-F1430 HydrophobicContact CB-CZ 4.01Å; F360-F1430 HydrophobicContact CD1-CZ 4.18Å; F360-F1430 HydrophobicContact CG-CZ 4.27Å; I363-F1430 HydrophobicContact CB-CE2 4.28Å; I363-F1430 HydrophobicContact CG2-CD2 4.13Å; I363-F1430 HydrophobicContact CG2-CE2 3.78Å; N364-F1430 WeakPolarHBondContact ND2-CD1 3.46Å; N364-F1430 WeakPolarHBondContact ND2-CE1 3.24Å; N364-F1430 WeakPolarHBondContact OD1-CA 3.45Å; N364-F1430 WeakPolarHBondContact OD1-CB 3.34Å; N364-F1430 WeakPolarHBondContact OD1-CD1 3.31Å; N364-F1430 VanDerWaalsContact OD1-CG 3.27Å; N364-F1430 WeakPolarHBondContact OD1-CG 3.33Å; N364-F1430 PolarHBondContact OD1-O 3.49Å; L367-F1430 HydrophobicContact CD1-CD2 4.36Å; M1426-F1430 HydrophobicContact CE-CE1 3.7Å; M1426-F1430 HydrophobicContact CE-CZ 3.84Å; M1426-F1430 WeakPolarHBondContact O-CB 3.41Å; M1426-F1430 WeakPolarHBondContact O-CD1 3.38Å; M1426-F1430 WeakPolarHBondContact O-CG 3.33Å; M1426-F1430 PolarHBondContact O-N 3.26Å; L1427-F1430 PolarHBondContact O-N 3.49Å; N1428-F1430 VanDerWaalsContact C-N 3.33Å; F1430-A1432 PolarHBondContact O-N 3.42Å; F1430-V1433 PolarHBondContact O-N 2.96Å; F1430-I1434 VanDerWaalsContact O-CG1 3.3Å; F1430-I1434 WeakPolarHBondContact O-CG1 3.5Å; F1430-I1434 PolarHBondContact O-N 2.97Å; F1430-I1434 VanDerWaalsContact O-N 3.09Å
1431V77.5Confident77.5Confident2 Ų229.4 Ų29.41%0.01215%0.154CC..Hα-helixtrans-64.1-38.3175.4174.60000111.9I1131 I1132 F1135 L1427 L1429 V1433 I1434 M1435I1131-V1431 HydrophobicContact CB-CG2 4.42Å; I1131-V1431 HydrophobicContact CG2-CB 4.03Å; I1131-V1431 HydrophobicContact CG2-CG1 4.18Å; I1131-V1431 HydrophobicContact CG2-CG2 3.84Å; I1132-V1431 HydrophobicContact CB-CG1 4.5Å; I1132-V1431 HydrophobicContact CG1-CB 4.5Å; I1132-V1431 HydrophobicContact CG1-CG1 4.12Å; I1132-V1431 HydrophobicContact CG1-CG2 3.6Å; F1135-V1431 HydrophobicContact CB-CG1 3.49Å; F1135-V1431 VanDerWaalsContact CB-CG1 3.49Å; F1135-V1431 HydrophobicContact CD1-CG1 4.21Å; F1135-V1431 HydrophobicContact CD2-CG1 4.06Å; F1135-V1431 HydrophobicContact CG-CG1 3.67Å; L1427-V1431 HydrophobicContact CD1-CG2 4.13Å; L1427-V1431 WeakPolarHBondContact O-CG2 2.98Å; L1427-V1431 PolarHBondContact O-N 3.19Å; L1429-V1431 PolarHBondContact O-N 2.98Å; V1431-V1433 PolarHBondContact O-N 3.42Å; V1431-I1434 PolarHBondContact O-N 3.22Å; V1431-M1435 HydrophobicContact CG1-CG 4.27Å; V1431-M1435 WeakPolarHBondContact O-CB 3.37Å; V1431-M1435 WeakPolarHBondContact O-CG 3.05Å; V1431-M1435 PolarHBondContact O-N 3.37Å
1432A75.3Confident76.9Confident15 Ų1527.1 Ų27.112%0.12415%0.147CC..Hα-helixtrans-60.5-42.5174.100000112.1F1135 L1330 N1428 L1429 F1430 I1434 M1435 D1436F1135-A1432 HydrophobicContact CE1-CB 4.13Å; L1330-A1432 HydrophobicContact CD2-CB 3.94Å; N1428-A1432 WeakPolarHBondContact O-CB 3.38Å; N1428-A1432 PolarHBondContact O-N 2.9Å; L1429-A1432 WeakPolarHBondContact O-CB 3.45Å; L1429-A1432 PolarHBondContact O-N 3.29Å; F1430-A1432 PolarHBondContact O-N 3.42Å; A1432-I1434 VanDerWaalsContact C-N 3.33Å; A1432-I1434 PolarHBondContact O-N 3.43Å; A1432-M1435 PolarHBondContact O-N 2.93Å; A1432-D1436 PolarHBondContact O-N 3.32Å
1433V76.3Confident76.2Confident3 Ų327.7 Ų27.72%0.01815%0.146CC..Hα-helixtrans-61.5-44.1176.3-159.30000111.3F1323 S1326 L1330 L1429 F1430 V1431 M1435 N1437F1323-V1433 HydrophobicContact CD1-CG1 4.48Å; F1323-V1433 HydrophobicContact CE1-CG1 3.88Å; F1323-V1433 HydrophobicContact CE2-CG1 3.95Å; F1323-V1433 HydrophobicContact CZ-CB 4.44Å; F1323-V1433 HydrophobicContact CZ-CG1 3.6Å; S1326-V1433 WeakPolarHBondContact OG-CG1 3.26Å; L1330-V1433 HydrophobicContact CD1-CB 4.11Å; L1330-V1433 HydrophobicContact CD1-CG1 4.02Å; L1330-V1433 HydrophobicContact CD1-CG2 3.32Å; L1330-V1433 HydrophobicContact CD2-CG2 4.06Å; L1330-V1433 HydrophobicContact CG-CG2 4.31Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.26Å; L1429-V1433 PolarHBondContact O-N 2.88Å; F1430-V1433 PolarHBondContact O-N 2.96Å; V1431-V1433 PolarHBondContact O-N 3.42Å; V1433-M1435 VanDerWaalsContact C-N 3.31Å; V1433-M1435 PolarHBondContact O-N 3.42Å; V1433-N1437 PolarHBondContact O-N 2.83Å; V1433-N1437 PolarHBondContact O-ND2 2.88Å
1434I75.5Confident75.3Confident6 Ų628 Ų283%0.03114%0.142CC..Hα-helixtrans-62.8-41.5178.7-66.5167.6000110.1L367 F1430 V1431 A1432 N1437 F1438 L1441L367-I1434 HydrophobicContact CB-CD1 3.64Å; F1430-I1434 VanDerWaalsContact O-CG1 3.3Å; F1430-I1434 WeakPolarHBondContact O-CG1 3.5Å; F1430-I1434 PolarHBondContact O-N 2.97Å; F1430-I1434 VanDerWaalsContact O-N 3.09Å; V1431-I1434 PolarHBondContact O-N 3.22Å; A1432-I1434 VanDerWaalsContact C-N 3.33Å; A1432-I1434 PolarHBondContact O-N 3.43Å; I1434-N1437 CarbonylContact O-C 3.53Å; I1434-N1437 PolarHBondContact O-N 3.32Å; I1434-F1438 HydrophobicContact CG2-CD2 4.33Å; I1434-F1438 WeakPolarHBondContact O-CA 3.49Å; I1434-F1438 WeakPolarHBondContact O-CB 3.4Å; I1434-F1438 PolarHBondContact O-N 3.13Å; I1434-L1441 HydrophobicContact CG2-CD1 4.49Å
1435M73.1Confident74.7Confident29 Ų2931.8 Ų31.814%0.14317%0.17CC..Hα-helixtrans-68.9-40.3-178.4-76.2-46.6-51.700114.4F1135 Q1136 V1431 A1432 V1433 N1437 F1438F1135-M1435 HydrophobicContact CB-CG 3.94Å; Q1136-M1435 HydrophobicContact CB-CE 4.29Å; Q1136-M1435 HydrophobicContact CB-SD 4.29Å; Q1136-M1435 HydrophobicContact CG-CE 3.74Å; Q1136-M1435 HydrophobicContact CG-SD 3.34Å; Q1136-M1435 WeakPolarHBondContact CG-SD 3.46Å; V1431-M1435 HydrophobicContact CG1-CG 4.27Å; V1431-M1435 WeakPolarHBondContact O-CB 3.37Å; V1431-M1435 WeakPolarHBondContact O-CG 3.05Å; V1431-M1435 PolarHBondContact O-N 3.37Å; A1432-M1435 PolarHBondContact O-N 2.93Å; V1433-M1435 VanDerWaalsContact C-N 3.31Å; V1433-M1435 PolarHBondContact O-N 3.42Å; M1435-N1437 PolarHBondContact O-N 3.22Å; M1435-F1438 HydrophobicContact CE-CB 4.04Å; M1435-F1438 HydrophobicContact CE-CD1 4.23Å; M1435-F1438 HydrophobicContact CE-CG 4.18Å; M1435-F1438 WeakPolarHBondContact O-CB 3.4Å; M1435-F1438 PolarHBondContact O-N 3.34Å; M1435-F1438 HydrophobicContact SD-CB 4.3Å; M1435-F1438 HydrophobicContact SD-CD2 4.42Å; M1435-F1438 HydrophobicContact SD-CG 4.23Å
1436D74.4Confident74.3Confident81 Ų8134.4 Ų34.443%0.43319%0.19SC..Hα-helixtrans-59.7-35.1174.1-86.6-36000112A1329 A1432A1329-D1436 WeakPolarHBondContact CB-OD2 3.45Å; A1432-D1436 PolarHBondContact O-N 3.32Å
1437N73.2Confident74.2Confident22 Ų2236.6 Ų36.612%0.11820%0.202CC..THydrogen-bonded Turntrans-95.10.3179.2-63.2-75.8000114.3T1322 S1326 V1433 I1434 M1435 D1439 Y1440 L1441T1322-N1437 PolarHBondContact O-OD1 3.49Å; S1326-N1437 WeakPolarHBondContact CB-ND2 3.35Å; S1326-N1437 PolarHBondContact OG-ND2 3.43Å; V1433-N1437 PolarHBondContact O-N 2.83Å; V1433-N1437 PolarHBondContact O-ND2 2.88Å; I1434-N1437 CarbonylContact O-C 3.53Å; I1434-N1437 PolarHBondContact O-N 3.32Å; M1435-N1437 PolarHBondContact O-N 3.22Å; N1437-D1439 VanDerWaalsContact C-N 3.25Å; N1437-D1439 PolarHBondContact O-N 3.43Å; N1437-D1439 VanDerWaalsContact O-N 3.14Å; N1437-Y1440 WeakPolarHBondContact O-CA 3.2Å; N1437-Y1440 WeakPolarHBondContact O-CB 3.47Å; N1437-Y1440 PolarHBondContact O-N 2.94Å; N1437-L1441 HydrophobicContact CB-CD1 3.95Å; N1437-L1441 HydrophobicContact CB-CG 4.39Å; N1437-L1441 PolarHBondContact O-N 3.46Å
1438F71.2Confident74.3Confident32 Ų3235.5 Ų35.514%0.1420%0.196CC..Hα-helixtrans-60.2-35.7-164.6-166.6-114.8000112.6A375 I1434 M1435 Y1440 L1441 T1442A375-F1438 HydrophobicContact CB-CZ 4.27Å; I1434-F1438 HydrophobicContact CG2-CD2 4.33Å; I1434-F1438 WeakPolarHBondContact O-CA 3.49Å; I1434-F1438 WeakPolarHBondContact O-CB 3.4Å; I1434-F1438 PolarHBondContact O-N 3.13Å; M1435-F1438 HydrophobicContact CE-CB 4.04Å; M1435-F1438 HydrophobicContact CE-CD1 4.23Å; M1435-F1438 HydrophobicContact CE-CG 4.18Å; M1435-F1438 WeakPolarHBondContact O-CB 3.4Å; M1435-F1438 PolarHBondContact O-N 3.34Å; M1435-F1438 HydrophobicContact SD-CB 4.3Å; M1435-F1438 HydrophobicContact SD-CD2 4.42Å; M1435-F1438 HydrophobicContact SD-CG 4.23Å; F1438-Y1440 VanDerWaalsContact C-N 3.3Å; F1438-Y1440 PolarHBondContact O-N 3.19Å; F1438-L1441 PolarHBondContact O-N 3.49Å; F1438-T1442 HydrophobicContact CD1-CG2 3.87Å; F1438-T1442 HydrophobicContact CD2-CG2 4.01Å; F1438-T1442 HydrophobicContact CE1-CG2 3.5Å; F1438-T1442 HydrophobicContact CE2-CG2 3.64Å; F1438-T1442 HydrophobicContact CG-CG2 4.11Å; F1438-T1442 HydrophobicContact CZ-CG2 3.36Å; F1438-T1442 WeakPolarHBondContact O-CB 3.45Å; F1438-T1442 WeakPolarHBondContact O-CG2 3.26Å; F1438-T1442 PolarHBondContact O-N 2.92Å; F1438-T1442 PolarHBondContact O-OG1 3.28Å
1439D70.2Confident74.6Confident30 Ų3035.4 Ų35.416%0.1620%0.196CC..Hα-helixtrans-58.6-39.8174-33-32.3000111.9K1150 Q1154 N1437 R1443K1150-D1439 WeakPolarHBondContact CD-OD2 3.13Å; K1150-D1439 WeakPolarHBondContact CE-OD2 3.5Å; K1150-D1439 IonicContact NZ-OD1 3.43Å; K1150-D1439 PolarHBondContact NZ-OD1 2.9Å; K1150-D1439 IonicContact NZ-OD2 3.67Å; K1150-D1439 PolarHBondContact NZ-OD2 3.44Å; Q1154-D1439 PolarHBondContact NE2-OD2 3.25Å; N1437-D1439 VanDerWaalsContact C-N 3.25Å; N1437-D1439 PolarHBondContact O-N 3.43Å; N1437-D1439 VanDerWaalsContact O-N 3.14Å; D1439-R1443 WeakPolarHBondContact O-CB 3.24Å; D1439-R1443 VanDerWaalsContact O-CD 3.25Å; D1439-R1443 WeakPolarHBondContact O-CD 3.31Å; D1439-R1443 WeakPolarHBondContact O-CG 3.39Å; D1439-R1443 PolarHBondContact O-N 2.94Å; D1439-R1443 VanDerWaalsContact O-N 3.1Å
1440Y73.1Confident74.8Confident64 Ų6436.3 Ų36.325%0.25120%0.203SC..Hα-helixtrans-71.4-38.8179.8177.5-98.2000111.6I1318 T1322 N1437 F1438 H1451I1318-Y1440 HydrophobicContact CG2-CE2 3.73Å; I1318-Y1440 VanDerWaalsContact CG2-OH 3.28Å; I1318-Y1440 WeakPolarHBondContact CG2-OH 3.49Å; T1322-Y1440 HydrophobicContact CG2-CD1 4.32Å; T1322-Y1440 HydrophobicContact CG2-CD2 4.39Å; T1322-Y1440 HydrophobicContact CG2-CG 4.23Å; N1437-Y1440 WeakPolarHBondContact O-CA 3.2Å; N1437-Y1440 WeakPolarHBondContact O-CB 3.47Å; N1437-Y1440 PolarHBondContact O-N 2.94Å; F1438-Y1440 VanDerWaalsContact C-N 3.3Å; F1438-Y1440 PolarHBondContact O-N 3.19Å; Y1440-H1451 AromaticContact CD2-CE1 3.69Å; Y1440-H1451 AromaticContact CD2-ND1 3.5Å; Y1440-H1451 AromaticContact CE2-CE1 3.57Å; Y1440-H1451 AromaticContact CE2-ND1 3.46Å; Y1440-H1451 WeakPolarHBondContact CE2-ND1 3.27Å
1441L72.5Confident74.7Confident26 Ų2637.8 Ų37.814%0.13621%0.21CC..Hα-helixtrans-74.2-40.4-177.8-62162.7000111.8V369 K376 I1434 N1437 F1438V369-L1441 HydrophobicContact CG2-CD2 3.87Å; K376-L1441 VanDerWaalsContact CE-O 3.24Å; K376-L1441 WeakPolarHBondContact CE-O 3.25Å; K376-L1441 PolarHBondContact NZ-O 2.94Å; I1434-L1441 HydrophobicContact CG2-CD1 4.49Å; N1437-L1441 HydrophobicContact CB-CD1 3.95Å; N1437-L1441 HydrophobicContact CB-CG 4.39Å; N1437-L1441 PolarHBondContact O-N 3.46Å; F1438-L1441 PolarHBondContact O-N 3.49Å
1442T74Confident74.9Confident37 Ų3739.2 Ų39.223%0.22722%0.217CC..Hα-helixtrans-81.6-17178.154.50000114.6A375 K376 F1438 D1444A375-T1442 HydrophobicContact CB-CG2 4.12Å; K376-T1442 WeakPolarHBondContact CE-O 3.41Å; F1438-T1442 HydrophobicContact CD1-CG2 3.87Å; F1438-T1442 HydrophobicContact CD2-CG2 4.01Å; F1438-T1442 HydrophobicContact CE1-CG2 3.5Å; F1438-T1442 HydrophobicContact CE2-CG2 3.64Å; F1438-T1442 HydrophobicContact CG-CG2 4.11Å; F1438-T1442 HydrophobicContact CZ-CG2 3.36Å; F1438-T1442 WeakPolarHBondContact O-CB 3.45Å; F1438-T1442 WeakPolarHBondContact O-CG2 3.26Å; F1438-T1442 PolarHBondContact O-N 2.92Å; F1438-T1442 PolarHBondContact O-OG1 3.28Å; T1442-D1444 PolarHBondContact O-N 3.02Å
1443R70.9Confident75.6Confident31 Ų3138.5 Ų38.512%0.11721%0.211CC..  trans-61.4126.8-179.1-98.616854.961.614.1112.7K376 D1439 I1447 L1448 H1451 H1452K376-R1443 PolarHBondContact NZ-O 3.13Å; D1439-R1443 WeakPolarHBondContact O-CB 3.24Å; D1439-R1443 VanDerWaalsContact O-CD 3.25Å; D1439-R1443 WeakPolarHBondContact O-CD 3.31Å; D1439-R1443 WeakPolarHBondContact O-CG 3.39Å; D1439-R1443 PolarHBondContact O-N 2.94Å; D1439-R1443 VanDerWaalsContact O-N 3.1Å; R1443-I1447 PolarHBondContact NH1-O 3.06Å; R1443-I1447 PolarHBondContact NH2-O 3.17Å; R1443-L1448 PolarHBondContact NH1-O 3.48Å; R1443-H1451 PolarHBondContact NE-CE1 3.29Å; R1443-H1451 PolarHBondContact NH2-CE1 2.93Å; R1443-H1451 PolarHBondContact NH2-NE2 3.44Å; R1443-H1452 PolarHBondContact NH2-CD2 3.16Å; R1443-H1452 PolarHBondContact NH2-NE2 3.25Å
1444D66.3Low76Confident81 Ų8141.6 Ų41.643%0.43323%0.227SC..  trans-75.4139.9158.4-76.9-20.3000109.9T1442 S1446 I1447T1442-D1444 PolarHBondContact O-N 3.02Å; D1444-S1446 PolarHBondContact O-N 2.79Å; D1444-S1446 VanDerWaalsContact O-N 3.1Å; D1444-I1447 PolarHBondContact O-N 2.66Å; D1444-I1447 VanDerWaalsContact O-N 3.09Å
1445S70.8Confident76.4Confident95 Ų9543.6 Ų43.666%0.66424%0.236SC*.THydrogen-bonded Turntrans-64-12.1177.252.60000114.1I1447 P1486S1445-I1447 VanDerWaalsContact C-N 3.34Å; S1445-P1486 WeakPolarHBondContact O-CD 3.36Å
1446S75.7Confident77.3Confident72 Ų7242.3 Ų42.350%0.50323%0.23SC..THydrogen-bonded Turntrans-78.9-12.7173.753.80000114.4D1444D1444-S1446 PolarHBondContact O-N 2.79Å; D1444-S1446 VanDerWaalsContact O-N 3.1Å
1447I78.3Confident78.1Confident76 Ų7639 Ų3939%0.3921%0.212SC..SBendtrans-97.2132.6179.5-57.3177.8000108.5R1443 D1444 S1445R1443-I1447 PolarHBondContact NH1-O 3.06Å; R1443-I1447 PolarHBondContact NH2-O 3.17Å; D1444-I1447 PolarHBondContact O-N 2.66Å; D1444-I1447 VanDerWaalsContact O-N 3.09Å; S1445-I1447 VanDerWaalsContact C-N 3.34Å
1448L81.1Confident78.7Confident5 Ų543.7 Ų43.73%0.02623%0.228CC..  trans-66.3141.9175.7-17165000110.9R1443 H1452 L1453 P1486 V1487 V1525 S1528 L1529R1443-L1448 PolarHBondContact NH1-O 3.48Å; L1448-H1452 HydrophobicContact CD1-CB 3.98Å; L1448-L1453 HydrophobicContact CD1-CD2 3.95Å; L1448-L1453 HydrophobicContact CD2-CD2 4.07Å; L1448-L1453 HydrophobicContact CG-CD2 4.26Å; L1448-P1486 HydrophobicContact CB-CB 4.3Å; L1448-P1486 HydrophobicContact CB-CG 4.49Å; L1448-P1486 HydrophobicContact CD1-CB 4.49Å; L1448-P1486 HydrophobicContact CD1-CG 4.22Å; L1448-V1487 HydrophobicContact CD1-CG2 3.76Å; L1448-V1525 HydrophobicContact CD2-CG2 4.26Å; L1448-S1528 WeakPolarHBondContact CD2-OG 3.43Å; L1448-L1529 HydrophobicContact CB-CD2 4.07Å; L1448-L1529 HydrophobicContact CB-CG 4.36Å
1449G81Confident79.5Confident1 Ų142.5 Ų42.51%0.0122%0.224CC..  trans-155.6165.6-179.500000110.8C1155 H1451 H1452C1155-G1449 VanDerWaalsContact SG-C 3.55Å; C1155-G1449 VanDerWaalsContact SG-CA 3.59Å; G1449-H1451 VanDerWaalsContact C-N 3.25Å; G1449-H1451 PolarHBondContact O-N 3.13Å; G1449-H1451 VanDerWaalsContact O-N 3.16Å; G1449-H1452 PolarHBondContact O-N 3.23Å; G1449-H1452 VanDerWaalsContact O-N 3.07Å
1450S82.9Confident80.6Confident34 Ų3441.1 Ų41.124%0.23822%0.216CC..Hα-helixtrans-51.6-39-175510000113.7C1155 H1452 L1453C1155-S1450 PolarHBondContact SG-N 3.43Å; C1155-S1450 VanDerWaalsContact SG-N 3.42Å; S1450-H1452 PolarHBondContact O-N 2.94Å; S1450-L1453 WeakPolarHBondContact O-CB 3.19Å; S1450-L1453 PolarHBondContact O-N 3.44Å
1451H75.5Confident81.2Confident51 Ų5138.3 Ų38.324%0.23621%0.206CC..Hα-helixtrans-68.8-27.3-179.661.7-131.4000114.9Y1440 R1443 G1449 L1453Y1440-H1451 AromaticContact CD2-CE1 3.69Å; Y1440-H1451 AromaticContact CD2-ND1 3.5Å; Y1440-H1451 AromaticContact CE2-CE1 3.57Å; Y1440-H1451 AromaticContact CE2-ND1 3.46Å; Y1440-H1451 WeakPolarHBondContact CE2-ND1 3.27Å; R1443-H1451 PolarHBondContact NE-CE1 3.29Å; R1443-H1451 PolarHBondContact NH2-CE1 2.93Å; R1443-H1451 PolarHBondContact NH2-NE2 3.44Å; G1449-H1451 VanDerWaalsContact C-N 3.25Å; G1449-H1451 PolarHBondContact O-N 3.13Å; G1449-H1451 VanDerWaalsContact O-N 3.16Å; H1451-L1453 VanDerWaalsContact C-N 3.3Å
1452H82.6Confident81.9Confident33 Ų3341.1 Ų41.115%0.15322%0.219CC..Hα-helixtrans-74.9-23.8175.3-62.3-66.2000111.7R1443 L1448 G1449 S1450 D1454 E1455 V1487R1443-H1452 PolarHBondContact NH2-CD2 3.16Å; R1443-H1452 PolarHBondContact NH2-NE2 3.25Å; L1448-H1452 HydrophobicContact CD1-CB 3.98Å; G1449-H1452 PolarHBondContact O-N 3.23Å; G1449-H1452 VanDerWaalsContact O-N 3.07Å; S1450-H1452 PolarHBondContact O-N 2.94Å; H1452-D1454 PolarHBondContact O-N 3.1Å; H1452-E1455 WeakPolarHBondContact O-CB 3.39Å; H1452-E1455 PolarHBondContact O-N 3.14Å; H1452-E1455 VanDerWaalsContact O-N 3.14Å; H1452-V1487 HydrophobicContact CB-CG2 3.52Å
1453L88.2Confident82.7Confident0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-69.6-19.9-179-56.5-179.4000112.6C1155 F1158 L1448 S1450 H1451 E1455 F1456 I1457 L1521 V1525C1155-L1453 HydrophobicContact CB-CD1 4.34Å; F1158-L1453 HydrophobicContact CB-CD1 4.12Å; F1158-L1453 HydrophobicContact CD1-CB 3.49Å; F1158-L1453 VanDerWaalsContact CD1-CB 3.49Å; F1158-L1453 HydrophobicContact CD1-CD1 3.59Å; F1158-L1453 HydrophobicContact CD1-CG 4.18Å; F1158-L1453 HydrophobicContact CE1-CB 3.26Å; F1158-L1453 HydrophobicContact CE1-CD1 4.29Å; F1158-L1453 HydrophobicContact CE1-CG 4.41Å; F1158-L1453 HydrophobicContact CG-CB 4.28Å; F1158-L1453 HydrophobicContact CG-CD1 4.03Å; F1158-L1453 HydrophobicContact CZ-CB 3.89Å; L1448-L1453 HydrophobicContact CD1-CD2 3.95Å; L1448-L1453 HydrophobicContact CD2-CD2 4.07Å; L1448-L1453 HydrophobicContact CG-CD2 4.26Å; S1450-L1453 WeakPolarHBondContact O-CB 3.19Å; S1450-L1453 PolarHBondContact O-N 3.44Å; H1451-L1453 VanDerWaalsContact C-N 3.3Å; L1453-E1455 PolarHBondContact O-N 3.28Å; L1453-F1456 WeakPolarHBondContact O-CB 3.22Å; L1453-F1456 PolarHBondContact O-N 3.35Å; L1453-I1457 WeakPolarHBondContact O-CG1 3.44Å; L1453-I1457 PolarHBondContact O-N 3.01Å; L1453-L1521 HydrophobicContact CB-CD1 4.48Å; L1453-L1521 HydrophobicContact CD2-CD1 3.97Å; L1453-V1525 HydrophobicContact CD1-CG2 3.79Å; L1453-V1525 HydrophobicContact CD2-CG2 3.84Å
1454D84.7Confident83.5Confident67 Ų6741.5 Ų41.536%0.35822%0.217SC..Hα-helixtrans-59.7-35.6170.4-174.257.5000112H1452 F1456 I1457 R1458H1452-D1454 PolarHBondContact O-N 3.1Å; D1454-F1456 VanDerWaalsContact C-N 3.35Å; D1454-F1456 PolarHBondContact O-N 2.98Å; D1454-I1457 PolarHBondContact O-N 3.33Å; D1454-I1457 VanDerWaalsContact O-N 3.15Å; D1454-R1458 WeakPolarHBondContact O-CB 3.37Å; D1454-R1458 PolarHBondContact O-N 3.31Å
1455E85.9Confident84.2Confident48 Ų4840.5 Ų40.522%0.22422%0.215CC..Hα-helixtrans-63.6-39.7176.2177.8169.2-144.300112.2H1452 L1453 I1457 R1458 V1459 L1483H1452-E1455 WeakPolarHBondContact O-CB 3.39Å; H1452-E1455 PolarHBondContact O-N 3.14Å; H1452-E1455 VanDerWaalsContact O-N 3.14Å; L1453-E1455 PolarHBondContact O-N 3.28Å; E1455-I1457 VanDerWaalsContact C-N 3.29Å; E1455-I1457 PolarHBondContact O-N 3.44Å; E1455-R1458 WeakPolarHBondContact O-CB 3Å; E1455-R1458 PolarHBondContact O-N 3.44Å; E1455-R1458 IonicContact OE1-NH2 2.7Å; E1455-R1458 PolarHBondContact OE1-NH2 3.32Å; E1455-V1459 HydrophobicContact CG-CG2 4.24Å; E1455-V1459 WeakPolarHBondContact O-CG2 3.25Å; E1455-V1459 PolarHBondContact O-N 3.32Å; E1455-L1483 HydrophobicContact CG-CD2 3.62Å
1456F91.5Very high84.6Confident2 Ų238.6 Ų38.61%0.00921%0.211CC..Hα-helixtrans-59.2-42.1173.9178.4-86.3000111.1L1453 D1454 W1460 M1479 L1483 V1487 F1517 L1521 L1524L1453-F1456 WeakPolarHBondContact O-CB 3.22Å; L1453-F1456 PolarHBondContact O-N 3.35Å; D1454-F1456 VanDerWaalsContact C-N 3.35Å; D1454-F1456 PolarHBondContact O-N 2.98Å; F1456-W1460 AromaticContact CE1-CE3 3.85Å; F1456-W1460 HydrophobicContact CE1-CE3 3.85Å; F1456-W1460 HydrophobicContact CE1-CZ3 4.44Å; F1456-W1460 AromaticContact CZ-CE3 3.67Å; F1456-W1460 HydrophobicContact CZ-CE3 3.67Å; F1456-W1460 AromaticContact CZ-CZ3 3.97Å; F1456-W1460 HydrophobicContact CZ-CZ3 3.97Å; F1456-W1460 WeakPolarHBondContact O-CB 3.28Å; F1456-W1460 PolarHBondContact O-N 2.89Å; F1456-M1479 HydrophobicContact CD2-CE 4.16Å; F1456-M1479 HydrophobicContact CE2-CE 3.51Å; F1456-M1479 HydrophobicContact CZ-CE 4.01Å; F1456-L1483 HydrophobicContact CD2-CD1 3.98Å; F1456-V1487 HydrophobicContact CB-CG1 4.17Å; F1456-F1517 HydrophobicContact CD1-CE2 4.03Å; F1456-F1517 AromaticContact CE1-CD2 3.9Å; F1456-F1517 HydrophobicContact CE1-CD2 3.9Å; F1456-F1517 AromaticContact CE1-CE2 3.75Å; F1456-F1517 HydrophobicContact CE1-CE2 3.75Å; F1456-L1521 HydrophobicContact CB-CD1 4.41Å; F1456-L1521 HydrophobicContact CD1-CB 4.31Å; F1456-L1521 HydrophobicContact CD1-CD1 3.8Å; F1456-L1521 HydrophobicContact CD1-CD2 4.37Å; F1456-L1521 HydrophobicContact CD1-CG 4.38Å; F1456-L1521 HydrophobicContact CE1-CB 3.82Å; F1456-L1521 HydrophobicContact CE1-CD1 4.17Å; F1456-L1521 HydrophobicContact CE1-CG 4.39Å; F1456-L1521 HydrophobicContact CG-CD1 4.03Å; F1456-L1521 HydrophobicContact CZ-CB 4.2Å; F1456-L1524 HydrophobicContact CD2-CD2 3.88Å; F1456-L1524 HydrophobicContact CE2-CD2 4.11Å
1457I89.7Confident85Confident13 Ų1336.3 Ų36.37%0.06720%0.196CC..Hα-helixtrans-67.2-41.3177-44.6-172.8000111.1F1158 K1163 L1165 L1453 D1454 E1455 W1460 A1461 F1517F1158-I1457 HydrophobicContact CE1-CD1 3.75Å; F1158-I1457 HydrophobicContact CE1-CG1 4.34Å; F1158-I1457 HydrophobicContact CZ-CD1 3.72Å; F1158-I1457 HydrophobicContact CZ-CG1 4.49Å; K1163-I1457 WeakPolarHBondContact O-CG2 3.32Å; L1165-I1457 HydrophobicContact CB-CG2 4.42Å; L1165-I1457 HydrophobicContact CD1-CB 4.47Å; L1165-I1457 HydrophobicContact CD1-CG2 3.74Å; L1165-I1457 HydrophobicContact CG-CG2 3.69Å; L1453-I1457 WeakPolarHBondContact O-CG1 3.44Å; L1453-I1457 PolarHBondContact O-N 3.01Å; D1454-I1457 PolarHBondContact O-N 3.33Å; D1454-I1457 VanDerWaalsContact O-N 3.15Å; E1455-I1457 VanDerWaalsContact C-N 3.29Å; E1455-I1457 PolarHBondContact O-N 3.44Å; I1457-W1460 PolarHBondContact O-N 3.06Å; I1457-A1461 PolarHBondContact O-N 3.06Å; I1457-A1461 VanDerWaalsContact O-N 3.09Å; I1457-F1517 HydrophobicContact CD1-CZ 4.31Å; I1457-F1517 HydrophobicContact CG1-CE2 4.33Å; I1457-F1517 HydrophobicContact CG1-CZ 4.02Å; I1457-F1517 HydrophobicContact CG2-CE2 4.36Å; I1457-F1517 HydrophobicContact CG2-CZ 4.36Å
1458R86.6Confident85.3Confident119 Ų11941.1 Ų41.145%0.44921%0.214SC..Hα-helixtrans-58.9-50.3177.1179.8179.269.3-166.93.6111.8D1454 E1455 A1461D1454-R1458 WeakPolarHBondContact O-CB 3.37Å; D1454-R1458 PolarHBondContact O-N 3.31Å; E1455-R1458 WeakPolarHBondContact O-CB 3Å; E1455-R1458 PolarHBondContact O-N 3.44Å; E1455-R1458 IonicContact OE1-NH2 2.7Å; E1455-R1458 PolarHBondContact OE1-NH2 3.32Å; R1458-A1461 PolarHBondContact O-N 3.04Å
1459V88.8Confident85.5Confident8 Ų841.1 Ų41.15%0.04822%0.215CC..Hα-helixtrans-72-37.9-179.7-176.40000110.9E1455 A1461 E1462 Y1463 M1479 K1482 L1483E1455-V1459 HydrophobicContact CG-CG2 4.24Å; E1455-V1459 WeakPolarHBondContact O-CG2 3.25Å; E1455-V1459 PolarHBondContact O-N 3.32Å; V1459-A1461 PolarHBondContact O-N 2.62Å; V1459-E1462 VanDerWaalsContact O-CB 3.32Å; V1459-E1462 WeakPolarHBondContact O-CB 3.2Å; V1459-E1462 PolarHBondContact O-N 2.97Å; V1459-Y1463 HydrophobicContact CG1-CD2 4.37Å; V1459-Y1463 HydrophobicContact CG1-CE2 3.99Å; V1459-Y1463 WeakPolarHBondContact O-CD2 3.16Å; V1459-M1479 HydrophobicContact CG1-CG 3.78Å; V1459-K1482 HydrophobicContact CG1-CD 4.29Å; V1459-L1483 HydrophobicContact CB-CD2 4.12Å; V1459-L1483 HydrophobicContact CG2-CD2 3.75Å; V1459-L1483 HydrophobicContact CG2-CG 4.46Å
1460W92Very high85.9Confident0 Ų046.6 Ų46.60%024%0.235CC..Hα-helixtrans-55.4-38.8173.2-173.1-73.4000112F1456 I1457 E1462 Y1463 D1464 I1471 M1479 F1517F1456-W1460 AromaticContact CE1-CE3 3.85Å; F1456-W1460 HydrophobicContact CE1-CE3 3.85Å; F1456-W1460 HydrophobicContact CE1-CZ3 4.44Å; F1456-W1460 AromaticContact CZ-CE3 3.67Å; F1456-W1460 HydrophobicContact CZ-CE3 3.67Å; F1456-W1460 AromaticContact CZ-CZ3 3.97Å; F1456-W1460 HydrophobicContact CZ-CZ3 3.97Å; F1456-W1460 WeakPolarHBondContact O-CB 3.28Å; F1456-W1460 PolarHBondContact O-N 2.89Å; I1457-W1460 PolarHBondContact O-N 3.06Å; W1460-E1462 PolarHBondContact O-N 2.92Å; W1460-Y1463 PolarHBondContact O-N 3.01Å; W1460-D1464 PolarHBondContact NE1-OD2 3.37Å; W1460-D1464 PolarHBondContact O-N 3.14Å; W1460-I1471 HydrophobicContact CD2-CD1 3.41Å; W1460-I1471 VanDerWaalsContact CD2-CD1 3.41Å; W1460-I1471 HydrophobicContact CD2-CG1 4.3Å; W1460-I1471 HydrophobicContact CE3-CD1 3.75Å; W1460-I1471 HydrophobicContact CG-CD1 3.91Å; W1460-I1471 HydrophobicContact CH2-CB 3.94Å; W1460-I1471 HydrophobicContact CH2-CD1 3.94Å; W1460-I1471 HydrophobicContact CH2-CG1 3.98Å; W1460-I1471 HydrophobicContact CZ2-CB 3.98Å; W1460-I1471 HydrophobicContact CZ2-CD1 3.62Å; W1460-I1471 HydrophobicContact CZ2-CG1 3.56Å; W1460-I1471 HydrophobicContact CZ3-CD1 4Å; W1460-M1479 HydrophobicContact CB-SD 4.41Å; W1460-M1479 HydrophobicContact CE3-CE 3.96Å; W1460-M1479 HydrophobicContact CE3-SD 3.95Å; W1460-M1479 HydrophobicContact CZ3-CE 4.28Å; W1460-F1517 HydrophobicContact CB-CD2 4.49Å; W1460-F1517 HydrophobicContact CB-CE2 4.49Å; W1460-F1517 HydrophobicContact CD2-CB 4.48Å; W1460-F1517 AromaticContact CD2-CD2 3.6Å; W1460-F1517 HydrophobicContact CD2-CD2 3.6Å; W1460-F1517 HydrophobicContact CD2-CE2 4.41Å; W1460-F1517 AromaticContact CE2-CD2 3.8Å; W1460-F1517 AromaticContact CE3-CD2 3.99Å; W1460-F1517 HydrophobicContact CE3-CD2 3.99Å; W1460-F1517 AromaticContact CG-CD2 3.8Å; W1460-F1517 HydrophobicContact CG-CD2 3.8Å; W1460-F1517 HydrophobicContact CG-CE2 4.24Å; W1460-F1517 HydrophobicContact CH2-CB 4.06Å; W1460-F1517 HydrophobicContact CZ2-CB 3.72Å; W1460-F1517 HydrophobicContact CZ2-CD2 4.39Å
1461A87.4Confident86.3Confident5 Ų545.2 Ų45.24%0.04123%0.225CC..Hα-helixtrans-71.2-5.1177.500000114.7L1165 R1167 I1457 R1458 V1459L1165-A1461 HydrophobicContact CB-CB 4.12Å; R1167-A1461 WeakPolarHBondContact CD-O 3.46Å; R1167-A1461 HydrophobicContact CG-CB 4.45Å; I1457-A1461 PolarHBondContact O-N 3.06Å; I1457-A1461 VanDerWaalsContact O-N 3.09Å; R1458-A1461 PolarHBondContact O-N 3.04Å; V1459-A1461 PolarHBondContact O-N 2.62Å
1462E86.7Confident87.1Confident86 Ų8645.9 Ų45.940%0.40223%0.228SC..Hα-helixtrans-81.2-43.4167.3-55.6-173140.500111.4V1459 W1460 K1482V1459-E1462 VanDerWaalsContact O-CB 3.32Å; V1459-E1462 WeakPolarHBondContact O-CB 3.2Å; V1459-E1462 PolarHBondContact O-N 2.97Å; W1460-E1462 PolarHBondContact O-N 2.92Å; E1462-K1482 IonicContact OE1-NZ 2.82Å; E1462-K1482 IonicContact OE2-NZ 3.24Å; E1462-K1482 PolarHBondContact OE2-NZ 2.78Å
1463Y89.4Confident87.4Confident70 Ų7046.8 Ų46.828%0.27523%0.231SC..Hα-helixtrans-80.9-33.9179.7-67.9-93.5000112.5V1459 W1460 P1465 E1475 M1479V1459-Y1463 HydrophobicContact CG1-CD2 4.37Å; V1459-Y1463 HydrophobicContact CG1-CE2 3.99Å; V1459-Y1463 WeakPolarHBondContact O-CD2 3.16Å; W1460-Y1463 PolarHBondContact O-N 3.01Å; Y1463-P1465 VanDerWaalsContact O-CD 3.24Å; Y1463-P1465 WeakPolarHBondContact O-CD 3.19Å; Y1463-E1475 HydrophobicContact CD1-CB 4.13Å; Y1463-E1475 HydrophobicContact CE1-CB 4.43Å; Y1463-M1479 HydrophobicContact CD2-CB 4.3Å; Y1463-M1479 HydrophobicContact CD2-CG 4.14Å; Y1463-M1479 HydrophobicContact CE2-CB 3.85Å; Y1463-M1479 HydrophobicContact CE2-CG 3.91Å
1464D89Confident87.4Confident6 Ų649.2 Ų49.23%0.03225%0.246CC..  trans-117.767.8177.6-178.117.7000111.7W1460 G1466 A1467 K1468 G1469 I1471W1460-D1464 PolarHBondContact NE1-OD2 3.37Å; W1460-D1464 PolarHBondContact O-N 3.14Å; D1464-G1466 PolarHBondContact O-N 3.48Å; D1464-G1466 VanDerWaalsContact O-N 3.11Å; D1464-A1467 PolarHBondContact O-N 2.69Å; D1464-A1467 PolarHBondContact OD1-N 3.45Å; D1464-A1467 VanDerWaalsContact OD1-N 3.08Å; D1464-A1467 WeakPolarHBondContact OD2-CA 3.33Å; D1464-K1468 VanDerWaalsContact CG-N 3.26Å; D1464-K1468 WeakPolarHBondContact OD1-CB 3.14Å; D1464-K1468 PolarHBondContact OD1-N 2.95Å; D1464-K1468 PolarHBondContact OD2-N 3.18Å; D1464-G1469 PolarHBondContact OD2-N 3.05Å; D1464-I1471 HydrophobicContact CB-CD1 4.17Å; D1464-I1471 HydrophobicContact CB-CG1 4.1Å
1465P80.7Confident87.7Confident59 Ų5949.6 Ų49.638%0.38325%0.245SC..THydrogen-bonded Turntrans-65.3-16.4-177.427.3-36.1000113.6Y1463Y1463-P1465 VanDerWaalsContact O-CD 3.24Å; Y1463-P1465 WeakPolarHBondContact O-CD 3.19Å
1466G80.1Confident87.9Confident56 Ų5647.3 Ų47.358%0.57724%0.235SC*.THydrogen-bonded Turntrans-88.7-7.117500000114.6D1464 K1468D1464-G1466 PolarHBondContact O-N 3.48Å; D1464-G1466 VanDerWaalsContact O-N 3.11Å; G1466-K1468 VanDerWaalsContact C-N 3.34Å; G1466-K1468 PolarHBondContact O-N 3.18Å
1467A83.2Confident87.8Confident23 Ų2348.8 Ų48.819%0.1924%0.24CC..  trans53.843.8-174.300000114P1164 C1166 D1464 G1469P1164-A1467 HydrophobicContact CB-CB 3.96Å; P1164-A1467 HydrophobicContact CG-CB 4.02Å; C1166-A1467 HydrophobicContact CB-CB 4.4Å; C1166-A1467 VanDerWaalsContact SG-CB 3.52Å; D1464-A1467 PolarHBondContact O-N 2.69Å; D1464-A1467 PolarHBondContact OD1-N 3.45Å; D1464-A1467 VanDerWaalsContact OD1-N 3.08Å; D1464-A1467 WeakPolarHBondContact OD2-CA 3.33Å; A1467-G1469 PolarHBondContact O-N 2.95Å
1468K83.7Confident87.8Confident177 Ų17753.5 Ų53.577%0.7726%0.262SS*.  trans-63.3-20.7172.1-62.5175.1-178.1172.60112.6D1464 G1466 R1470D1464-K1468 VanDerWaalsContact CG-N 3.26Å; D1464-K1468 WeakPolarHBondContact OD1-CB 3.14Å; D1464-K1468 PolarHBondContact OD1-N 2.95Å; D1464-K1468 PolarHBondContact OD2-N 3.18Å; G1466-K1468 VanDerWaalsContact C-N 3.34Å; G1466-K1468 PolarHBondContact O-N 3.18Å; K1468-R1470 VanDerWaalsContact C-N 3.29Å; K1468-R1470 PolarHBondContact O-N 3.31Å
1469G86.7Confident88Confident5 Ų547.9 Ų47.95%0.05224%0.241CC..SBendtrans76.113.9-17800000114.1D1464 A1467 H1516 F1517D1464-G1469 PolarHBondContact OD2-N 3.05Å; A1467-G1469 PolarHBondContact O-N 2.95Å; G1469-H1516 PolarHBondContact O-CD2 3.29Å; G1469-H1516 VanDerWaalsContact O-CD2 3.23Å; G1469-F1517 PolarHBondContact O-N 3.23Å
1470R89.8Confident88Confident117 Ų11747.8 Ų47.844%0.44224%0.24SC..EExtended strand (participates in β ladder)trans-143.2136.3-175.5-68.8177.5166.8-149.4-11.5111.5K1468 D1510 V1515K1468-R1470 VanDerWaalsContact C-N 3.29Å; K1468-R1470 PolarHBondContact O-N 3.31Å; R1470-D1510 IonicContact CZ-OD2 2.89Å; R1470-D1510 IonicContact NH1-OD2 2.83Å; R1470-D1510 PolarHBondContact NH1-OD2 2.92Å; R1470-D1510 IonicContact NH2-OD2 2.63Å; R1470-D1510 PolarHBondContact NH2-OD2 3.39Å; R1470-V1515 WeakPolarHBondContact CA-O 3.26Å
1471I90.9Very high87.9Confident5 Ų552.5 Ų52.53%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-135.3153.2-178.8-73.5179.6000108.5W1460 D1464 E1475 M1476 T1514 V1515W1460-I1471 HydrophobicContact CD2-CD1 3.41Å; W1460-I1471 VanDerWaalsContact CD2-CD1 3.41Å; W1460-I1471 HydrophobicContact CD2-CG1 4.3Å; W1460-I1471 HydrophobicContact CE3-CD1 3.75Å; W1460-I1471 HydrophobicContact CG-CD1 3.91Å; W1460-I1471 HydrophobicContact CH2-CB 3.94Å; W1460-I1471 HydrophobicContact CH2-CD1 3.94Å; W1460-I1471 HydrophobicContact CH2-CG1 3.98Å; W1460-I1471 HydrophobicContact CZ2-CB 3.98Å; W1460-I1471 HydrophobicContact CZ2-CD1 3.62Å; W1460-I1471 HydrophobicContact CZ2-CG1 3.56Å; W1460-I1471 HydrophobicContact CZ3-CD1 4Å; D1464-I1471 HydrophobicContact CB-CD1 4.17Å; D1464-I1471 HydrophobicContact CB-CG1 4.1Å; I1471-E1475 HydrophobicContact CG2-CB 3.52Å; I1471-M1476 HydrophobicContact CG2-CB 4.43Å; I1471-T1514 VanDerWaalsContact O-CA 3.29Å; I1471-T1514 WeakPolarHBondContact O-CA 3.26Å; I1471-T1514 WeakPolarHBondContact O-CB 3.16Å; I1471-V1515 PolarHBondContact N-O 3.24Å; I1471-V1515 WeakPolarHBondContact O-CG2 3.49Å; I1471-V1515 PolarHBondContact O-N 3.21Å
1472H91.6Very high87.8Confident64 Ų6457.1 Ų57.130%0.29628%0.277SS..EExtended strand (participates in β ladder)trans-73.7149177.2-172-111.4000111.8T1474 E1475 M1476 G1513H1472-T1474 PolarHBondContact ND1-OG1 3.28Å; H1472-T1474 PolarHBondContact O-N 3.09Å; H1472-T1474 VanDerWaalsContact O-N 3.1Å; H1472-E1475 HydrophobicContact CB-CG 4.2Å; H1472-E1475 VanDerWaalsContact CB-OE2 3.25Å; H1472-E1475 WeakPolarHBondContact CB-OE2 3.46Å; H1472-E1475 PolarHBondContact N-OE2 2.84Å; H1472-E1475 PolarHBondContact O-N 2.87Å; H1472-E1475 VanDerWaalsContact O-N 3.16Å; H1472-M1476 PolarHBondContact O-N 3.39Å; H1472-G1513 PolarHBondContact CD2-O 3.19Å; H1472-G1513 VanDerWaalsContact CD2-O 3.3Å
1473Y88.7Confident87.9Confident52 Ų5253 Ų5320%0.20426%0.258CS..Hα-helixtrans-62.6-23.5-172.477.8-88.4000114.6Y1477 G1513 I1582 Y1583Y1473-Y1477 PolarHBondContact O-N 3.37Å; Y1473-G1513 WeakPolarHBondContact CD1-O 3.19Å; Y1473-G1513 PolarHBondContact N-O 3.43Å; Y1473-I1582 HydrophobicContact CD2-CD1 4.28Å; Y1473-I1582 HydrophobicContact CE2-CD1 4.21Å; Y1473-I1582 HydrophobicContact CE2-CG2 4.22Å; Y1473-I1582 HydrophobicContact CG-CD1 4.5Å; Y1473-Y1583 HydrophobicContact CD2-CE2 4.45Å
1474T89.2Confident87.7Confident51 Ų5156 Ų5631%0.31327%0.274SS..Hα-helixtrans-74.8-47.8174.557.40000111.6H1472 M1476 Y1477 E1478H1472-T1474 PolarHBondContact ND1-OG1 3.28Å; H1472-T1474 PolarHBondContact O-N 3.09Å; H1472-T1474 VanDerWaalsContact O-N 3.1Å; T1474-M1476 VanDerWaalsContact C-N 3.25Å; T1474-M1476 PolarHBondContact O-N 2.03Å; T1474-Y1477 WeakPolarHBondContact O-CB 3.44Å; T1474-Y1477 PolarHBondContact O-N 3.29Å; T1474-E1478 PolarHBondContact O-N 3.12Å
1475E90.9Very high87.4Confident75 Ų7559.8 Ų59.835%0.3530%0.299SS..Hα-helixtrans-59.2-38.9176-60.6171.913800110.7Y1463 I1471 H1472 Y1477 E1478 M1479Y1463-E1475 HydrophobicContact CD1-CB 4.13Å; Y1463-E1475 HydrophobicContact CE1-CB 4.43Å; I1471-E1475 HydrophobicContact CG2-CB 3.52Å; H1472-E1475 HydrophobicContact CB-CG 4.2Å; H1472-E1475 VanDerWaalsContact CB-OE2 3.25Å; H1472-E1475 WeakPolarHBondContact CB-OE2 3.46Å; H1472-E1475 PolarHBondContact N-OE2 2.84Å; H1472-E1475 PolarHBondContact O-N 2.87Å; H1472-E1475 VanDerWaalsContact O-N 3.16Å; E1475-Y1477 VanDerWaalsContact C-N 3.34Å; E1475-Y1477 PolarHBondContact O-N 3.24Å; E1475-E1478 PolarHBondContact O-N 3.43Å; E1475-M1479 VanDerWaalsContact O-CB 3.24Å; E1475-M1479 WeakPolarHBondContact O-CB 3.34Å; E1475-M1479 PolarHBondContact O-N 2.85Å
1476M90.1Very high87.5Confident1 Ų158.3 Ų58.31%0.00529%0.29CS..Hα-helixtrans-61.5-37.9173.6-176-13963.300112.6I1471 H1472 T1474 M1479 L1480 L1502 M1507 V1515 T1520 V1579I1471-M1476 HydrophobicContact CG2-CB 4.43Å; H1472-M1476 PolarHBondContact O-N 3.39Å; T1474-M1476 VanDerWaalsContact C-N 3.25Å; T1474-M1476 PolarHBondContact O-N 2.03Å; M1476-M1479 HydrophobicContact CG-CE 4.48Å; M1476-L1480 HydrophobicContact CE-CD1 4.05Å; M1476-L1480 HydrophobicContact CG-CD1 4.31Å; M1476-L1480 WeakPolarHBondContact O-CB 3.17Å; M1476-L1480 VanDerWaalsContact O-CG 3.28Å; M1476-L1480 WeakPolarHBondContact O-CG 3.44Å; M1476-L1480 PolarHBondContact O-N 3.36Å; M1476-L1480 HydrophobicContact SD-CD1 4.36Å; M1476-L1502 HydrophobicContact CE-CD2 3.96Å; M1476-M1507 HydrophobicContact CE-CE 4.13Å; M1476-M1507 HydrophobicContact SD-CE 3.79Å; M1476-M1507 HydrophobicContact SD-SD 4.25Å; M1476-V1515 HydrophobicContact CB-CG2 3.93Å; M1476-V1515 HydrophobicContact CG-CG2 3.91Å; M1476-V1515 HydrophobicContact SD-CB 4.5Å; M1476-V1515 HydrophobicContact SD-CG1 4.21Å; M1476-V1515 HydrophobicContact SD-CG2 3.93Å; M1476-T1520 HydrophobicContact CG-CG2 4.39Å; M1476-T1520 HydrophobicContact SD-CG2 3.97Å; M1476-V1579 HydrophobicContact CE-CG1 4.1Å
1477Y89Confident87.7Confident32 Ų3255.8 Ų55.813%0.12526%0.263CS..Hα-helixtrans-70.2-39.8176.2171-112.9000112.1Y1473 T1474 E1475 L1480 R1481 A1498 Y1499 L1502 Y1583Y1473-Y1477 PolarHBondContact O-N 3.37Å; T1474-Y1477 WeakPolarHBondContact O-CB 3.44Å; T1474-Y1477 PolarHBondContact O-N 3.29Å; E1475-Y1477 VanDerWaalsContact C-N 3.34Å; E1475-Y1477 PolarHBondContact O-N 3.24Å; Y1477-L1480 PolarHBondContact O-N 3.35Å; Y1477-R1481 HydrophobicContact CE2-CG 4.26Å; Y1477-R1481 PolarHBondContact O-N 3.14Å; Y1477-R1481 VanDerWaalsContact O-N 3.08Å; Y1477-A1498 HydrophobicContact CE2-CB 4.22Å; Y1477-Y1499 HydrophobicContact CE1-CE1 4.47Å; Y1477-Y1499 HydrophobicContact CE2-CD1 4.22Å; Y1477-Y1499 AromaticContact CE2-CE1 3.84Å; Y1477-Y1499 HydrophobicContact CE2-CE1 3.84Å; Y1477-Y1499 AromaticContact CZ-CE1 3.75Å; Y1477-L1502 HydrophobicContact CD2-CD1 3.99Å; Y1477-Y1583 WeakPolarHBondContact CB-OH 3.38Å
1478E88.5Confident87.8Confident113 Ų11354.8 Ų54.853%0.52826%0.255SS..Hα-helixtrans-64.3-46.1173.9-69174.8-171.500111.4T1474 E1475 L1480 R1481 K1482T1474-E1478 PolarHBondContact O-N 3.12Å; E1475-E1478 PolarHBondContact O-N 3.43Å; E1478-L1480 VanDerWaalsContact C-N 3.35Å; E1478-L1480 PolarHBondContact O-N 3.07Å; E1478-R1481 CarbonylContact O-C 3.1Å; E1478-R1481 PolarHBondContact O-N 3.02Å; E1478-K1482 PolarHBondContact O-N 3.15Å
1479M90.9Very high88Confident1 Ų147 Ų471%0.00522%0.221CC..Hα-helixtrans-55.5-46.7173.7-174.2-168.773.400111.6F1456 V1459 W1460 Y1463 E1475 M1476 R1481 K1482 L1483F1456-M1479 HydrophobicContact CD2-CE 4.16Å; F1456-M1479 HydrophobicContact CE2-CE 3.51Å; F1456-M1479 HydrophobicContact CZ-CE 4.01Å; V1459-M1479 HydrophobicContact CG1-CG 3.78Å; W1460-M1479 HydrophobicContact CB-SD 4.41Å; W1460-M1479 HydrophobicContact CE3-CE 3.96Å; W1460-M1479 HydrophobicContact CE3-SD 3.95Å; W1460-M1479 HydrophobicContact CZ3-CE 4.28Å; Y1463-M1479 HydrophobicContact CD2-CB 4.3Å; Y1463-M1479 HydrophobicContact CD2-CG 4.14Å; Y1463-M1479 HydrophobicContact CE2-CB 3.85Å; Y1463-M1479 HydrophobicContact CE2-CG 3.91Å; E1475-M1479 VanDerWaalsContact O-CB 3.24Å; E1475-M1479 WeakPolarHBondContact O-CB 3.34Å; E1475-M1479 PolarHBondContact O-N 2.85Å; M1476-M1479 HydrophobicContact CG-CE 4.48Å; M1479-R1481 VanDerWaalsContact C-N 3.27Å; M1479-R1481 PolarHBondContact O-N 3.33Å; M1479-K1482 PolarHBondContact O-N 3.12Å; M1479-L1483 HydrophobicContact CE-CD1 4.37Å; M1479-L1483 HydrophobicContact CG-CD1 4.13Å; M1479-L1483 WeakPolarHBondContact O-CB 3.18Å; M1479-L1483 WeakPolarHBondContact O-CG 3.24Å; M1479-L1483 PolarHBondContact O-N 2.86Å
1480L90.2Very high87.9Confident5 Ų547.2 Ų47.23%0.02622%0.223CC..Hα-helixtrans-69-20177.2-72.9172.4000113.7M1476 Y1477 E1478 L1483 F1489 L1502 L1524M1476-L1480 HydrophobicContact CE-CD1 4.05Å; M1476-L1480 HydrophobicContact CG-CD1 4.31Å; M1476-L1480 WeakPolarHBondContact O-CB 3.17Å; M1476-L1480 VanDerWaalsContact O-CG 3.28Å; M1476-L1480 WeakPolarHBondContact O-CG 3.44Å; M1476-L1480 PolarHBondContact O-N 3.36Å; M1476-L1480 HydrophobicContact SD-CD1 4.36Å; Y1477-L1480 PolarHBondContact O-N 3.35Å; E1478-L1480 VanDerWaalsContact C-N 3.35Å; E1478-L1480 PolarHBondContact O-N 3.07Å; L1480-L1483 HydrophobicContact CD2-CD1 4.22Å; L1480-F1489 HydrophobicContact CB-CD2 3.86Å; L1480-F1489 HydrophobicContact CB-CE2 3.82Å; L1480-F1489 HydrophobicContact CB-CZ 4.5Å; L1480-F1489 HydrophobicContact CD1-CE2 3.98Å; L1480-F1489 HydrophobicContact CD1-CZ 4.11Å; L1480-F1489 PolarHBondContact O-N 2.59Å; L1480-L1502 HydrophobicContact CD1-CD2 4.09Å; L1480-L1524 HydrophobicContact CD2-CD1 3.95Å; L1480-L1524 HydrophobicContact CD2-CD2 4.17Å
1481R89Confident87.6Confident99 Ų9948.2 Ų48.237%0.37423%0.233SC..Hα-helixtrans-85.8-28169.4-74.2-171.267-144-1113.3Y1477 E1478 M1479 G1490 Q1491Y1477-R1481 HydrophobicContact CE2-CG 4.26Å; Y1477-R1481 PolarHBondContact O-N 3.14Å; Y1477-R1481 VanDerWaalsContact O-N 3.08Å; E1478-R1481 CarbonylContact O-C 3.1Å; E1478-R1481 PolarHBondContact O-N 3.02Å; M1479-R1481 VanDerWaalsContact C-N 3.27Å; M1479-R1481 PolarHBondContact O-N 3.33Å; R1481-G1490 CarbonylContact O-C 3.39Å; R1481-Q1491 PolarHBondContact NH2-O 3.46Å; R1481-Q1491 WeakPolarHBondContact O-CA 3.4Å; R1481-Q1491 WeakPolarHBondContact O-CG 3.47Å; R1481-Q1491 PolarHBondContact O-N 3.41Å
1482K86.5Confident87.1Confident102 Ų10256 Ų5644%0.44328%0.275SS..Hα-helixtrans-69.9-39.8172-173.1-179.8178.2-177.30111.4V1459 E1462 E1478 M1479V1459-K1482 HydrophobicContact CG1-CD 4.29Å; E1462-K1482 IonicContact OE1-NZ 2.82Å; E1462-K1482 IonicContact OE2-NZ 3.24Å; E1462-K1482 PolarHBondContact OE2-NZ 2.78Å; E1478-K1482 PolarHBondContact O-N 3.15Å; M1479-K1482 PolarHBondContact O-N 3.12Å
1483L88.4Confident86.5Confident1 Ų154.1 Ų54.11%0.00527%0.268CS..SBendtrans-66.7135.7174.7-73.8163.8000112E1455 F1456 V1459 M1479 L1480 V1487 G1488 G1490E1455-L1483 HydrophobicContact CG-CD2 3.62Å; F1456-L1483 HydrophobicContact CD2-CD1 3.98Å; V1459-L1483 HydrophobicContact CB-CD2 4.12Å; V1459-L1483 HydrophobicContact CG2-CD2 3.75Å; V1459-L1483 HydrophobicContact CG2-CG 4.46Å; M1479-L1483 HydrophobicContact CE-CD1 4.37Å; M1479-L1483 HydrophobicContact CG-CD1 4.13Å; M1479-L1483 WeakPolarHBondContact O-CB 3.18Å; M1479-L1483 WeakPolarHBondContact O-CG 3.24Å; M1479-L1483 PolarHBondContact O-N 2.86Å; L1480-L1483 HydrophobicContact CD2-CD1 4.22Å; L1483-V1487 HydrophobicContact CD1-CG1 4.39Å; L1483-V1487 HydrophobicContact CD2-CG1 4.41Å; L1483-G1488 WeakPolarHBondContact O-CA 3.34Å; L1483-G1490 WeakPolarHBondContact O-CA 3.42Å; L1483-G1490 PolarHBondContact O-N 2.96Å
1484E84.8Confident86.3Confident132 Ų13255.4 Ų55.462%0.61728%0.283SS*.PPolyproline II helixtrans-81.8152.5177.9-59.4-150.7124.700113V1487 G1488E1484-V1487 PolarHBondContact O-N 2.95Å; E1484-V1487 VanDerWaalsContact O-N 3.1Å; E1484-G1488 PolarHBondContact O-N 3.37Å
1485P82.3Confident86.1Confident86 Ų8658.1 Ų58.156%0.55829%0.289SS*.THydrogen-bonded Turntrans-61.4141.1165.7-18.532.7000110.6
1486P82.8Confident85.8Confident27 Ų2759.2 Ų59.218%0.17529%0.289CS..THydrogen-bonded Turncis-87.6-5.21633.4-36.8000115.7S1445 L1448S1445-P1486 WeakPolarHBondContact O-CD 3.36Å; L1448-P1486 HydrophobicContact CB-CB 4.3Å; L1448-P1486 HydrophobicContact CB-CG 4.49Å; L1448-P1486 HydrophobicContact CD1-CB 4.49Å; L1448-P1486 HydrophobicContact CD1-CG 4.22Å
1487V84.4Confident85.5Confident4 Ų463 Ų632%0.02431%0.309CS..THydrogen-bonded Turntrans-76.4-60-178.6-177.60000110.7L1448 H1452 F1456 L1483 E1484 L1524L1448-V1487 HydrophobicContact CD1-CG2 3.76Å; H1452-V1487 HydrophobicContact CB-CG2 3.52Å; F1456-V1487 HydrophobicContact CB-CG1 4.17Å; L1483-V1487 HydrophobicContact CD1-CG1 4.39Å; L1483-V1487 HydrophobicContact CD2-CG1 4.41Å; E1484-V1487 PolarHBondContact O-N 2.95Å; E1484-V1487 VanDerWaalsContact O-N 3.1Å; V1487-L1524 HydrophobicContact CG1-CD2 3.91Å; V1487-L1524 WeakPolarHBondContact O-CD1 3.07Å; V1487-L1524 WeakPolarHBondContact O-CD2 3.5Å
1488G86Confident85.3Confident2 Ų261.6 Ų61.62%0.02130%0.304CS..SBendtrans-92.6-161.5-177.200000113.7L1483 E1484L1483-G1488 WeakPolarHBondContact O-CA 3.34Å; E1484-G1488 PolarHBondContact O-N 3.37Å
1489F87.9Confident85.2Confident13 Ų1357.6 Ų57.66%0.05728%0.284CS..  trans-95.1-28.1172-55.1-35.3000111.7L1480 C1493 A1498 K1501 L1502 M1505L1480-F1489 HydrophobicContact CB-CD2 3.86Å; L1480-F1489 HydrophobicContact CB-CE2 3.82Å; L1480-F1489 HydrophobicContact CB-CZ 4.5Å; L1480-F1489 HydrophobicContact CD1-CE2 3.98Å; L1480-F1489 HydrophobicContact CD1-CZ 4.11Å; L1480-F1489 PolarHBondContact O-N 2.59Å; F1489-C1493 HydrophobicContact CB-CB 4.03Å; F1489-C1493 VanDerWaalsContact O-CB 3.25Å; F1489-C1493 WeakPolarHBondContact O-CB 3.39Å; F1489-A1498 HydrophobicContact CD2-CB 3.64Å; F1489-A1498 HydrophobicContact CE2-CB 3.97Å; F1489-A1498 HydrophobicContact CG-CB 4.05Å; F1489-K1501 HydrophobicContact CD1-CD 3.93Å; F1489-K1501 HydrophobicContact CE1-CB 3.86Å; F1489-K1501 HydrophobicContact CE1-CD 3.64Å; F1489-K1501 HydrophobicContact CE1-CG 4.4Å; F1489-K1501 HydrophobicContact CZ-CB 4.21Å; F1489-L1502 HydrophobicContact CE2-CD1 4.24Å; F1489-L1502 HydrophobicContact CE2-CD2 4.14Å; F1489-L1502 HydrophobicContact CE2-CG 4.01Å; F1489-L1502 HydrophobicContact CZ-CD2 3.91Å; F1489-L1502 HydrophobicContact CZ-CG 3.9Å; F1489-M1505 HydrophobicContact CE1-CE 4.25Å; F1489-M1505 HydrophobicContact CZ-CE 4.46Å
1490G85Confident85Confident9 Ų961.3 Ų61.39%0.09330%0.3CS..  trans76.8152.7-170.400000113.3R1481 L1483 N1492 C1493R1481-G1490 CarbonylContact O-C 3.39Å; L1483-G1490 WeakPolarHBondContact O-CA 3.42Å; L1483-G1490 PolarHBondContact O-N 2.96Å; G1490-N1492 VanDerWaalsContact C-N 3.31Å; G1490-N1492 PolarHBondContact O-N 2.98Å; G1490-C1493 VanDerWaalsContact O-CB 3.3Å; G1490-C1493 WeakPolarHBondContact O-CB 3.47Å; G1490-C1493 PolarHBondContact O-N 2.74Å
1491Q82.5Confident84.8Confident138 Ų13863.9 Ų63.965%0.64531%0.311SS*.THydrogen-bonded Turntrans-62.5-39-171.1-57.7-173.531.900112.4R1481 C1493R1481-Q1491 PolarHBondContact NH2-O 3.46Å; R1481-Q1491 WeakPolarHBondContact O-CA 3.4Å; R1481-Q1491 WeakPolarHBondContact O-CG 3.47Å; R1481-Q1491 PolarHBondContact O-N 3.41Å; Q1491-C1493 VanDerWaalsContact C-N 3.25Å; Q1491-C1493 PolarHBondContact O-N 2.91Å
1492N80.4Confident84.6Confident169 Ų16959.1 Ų59.190%0.90429%0.293SS*.THydrogen-bonded Turntrans-77.61.1-178.4-66.7-26.7000114.5G1490G1490-N1492 VanDerWaalsContact C-N 3.31Å; G1490-N1492 PolarHBondContact O-N 2.98Å
1493C79.7Confident84.6Confident24 Ų2456.7 Ų56.716%0.16229%0.285CS..SBendtrans-69.5127.9-179.2-174.70000111.7F1489 G1490 Q1491 Y1495F1489-C1493 HydrophobicContact CB-CB 4.03Å; F1489-C1493 VanDerWaalsContact O-CB 3.25Å; F1489-C1493 WeakPolarHBondContact O-CB 3.39Å; G1490-C1493 VanDerWaalsContact O-CB 3.3Å; G1490-C1493 WeakPolarHBondContact O-CB 3.47Å; G1490-C1493 PolarHBondContact O-N 2.74Å; Q1491-C1493 VanDerWaalsContact C-N 3.25Å; Q1491-C1493 PolarHBondContact O-N 2.91Å; C1493-Y1495 PolarHBondContact O-N 3.12Å
1494P84.7Confident84.4Confident79 Ų7959.8 Ų59.851%0.51330%0.296SS..  trans-64.9124.3175.325.4-32000109.9R1496 L1497 A1498P1494-R1496 PolarHBondContact O-N 3.42Å; P1494-L1497 HydrophobicContact CG-CB 4.01Å; P1494-L1497 WeakPolarHBondContact O-CA 3.29Å; P1494-L1497 VanDerWaalsContact O-CB 3.28Å; P1494-L1497 WeakPolarHBondContact O-CB 3.45Å; P1494-L1497 PolarHBondContact O-N 3.21Å; P1494-A1498 PolarHBondContact O-N 3.43Å
1495Y83.4Confident84.2Confident109 Ų10954.3 Ų54.343%0.42727%0.271SS..Hα-helixtrans-45.5-40.1-17558.9-79.4000114.4C1493 L1497 A1498 Y1499 E1590C1493-Y1495 PolarHBondContact O-N 3.12Å; Y1495-L1497 VanDerWaalsContact C-N 3.28Å; Y1495-L1497 PolarHBondContact O-N 3.07Å; Y1495-A1498 PolarHBondContact O-N 3.23Å; Y1495-Y1499 HydrophobicContact CD2-CE2 4.14Å; Y1495-Y1499 WeakPolarHBondContact O-CB 3.42Å; Y1495-Y1499 WeakPolarHBondContact O-CD1 3.44Å; Y1495-Y1499 VanDerWaalsContact O-CG 3.29Å; Y1495-Y1499 PolarHBondContact O-N 2.8Å; Y1495-E1590 WeakPolarHBondContact CE2-OE1 3.36Å; Y1495-E1590 WeakPolarHBondContact CE2-OE2 3.39Å
1496R84.8Confident84.1Confident97 Ų9753.7 Ų53.737%0.36626%0.263SS..Hα-helixtrans-57.7-35.2174.5-67.4-177.5167.9-170.5-7.9114.1P1494 K1500 E1590P1494-R1496 PolarHBondContact O-N 3.42Å; R1496-K1500 WeakPolarHBondContact O-CB 3.25Å; R1496-K1500 PolarHBondContact O-N 3.47Å; R1496-K1500 VanDerWaalsContact O-N 3.11Å; R1496-E1590 IonicContact NE-OE2 2.82Å
1497L84Confident84.2Confident82 Ų8252.6 Ų52.643%0.42926%0.256SS..Hα-helixtrans-75-39.4177.8-163.979.5000111.1P1494 Y1495 K1500 K1501P1494-L1497 HydrophobicContact CG-CB 4.01Å; P1494-L1497 WeakPolarHBondContact O-CA 3.29Å; P1494-L1497 VanDerWaalsContact O-CB 3.28Å; P1494-L1497 WeakPolarHBondContact O-CB 3.45Å; P1494-L1497 PolarHBondContact O-N 3.21Å; Y1495-L1497 VanDerWaalsContact C-N 3.28Å; Y1495-L1497 PolarHBondContact O-N 3.07Å; L1497-K1500 PolarHBondContact O-N 2.94Å; L1497-K1501 PolarHBondContact O-N 3.48Å; L1497-K1501 VanDerWaalsContact O-N 3.12Å
1498A84.6Confident84.3Confident1 Ų153.3 Ų53.31%0.00826%0.26CS..Hα-helixtrans-64.6-47.4173.600000111.7Y1477 F1489 P1494 Y1495 K1500 K1501 L1502Y1477-A1498 HydrophobicContact CE2-CB 4.22Å; F1489-A1498 HydrophobicContact CD2-CB 3.64Å; F1489-A1498 HydrophobicContact CE2-CB 3.97Å; F1489-A1498 HydrophobicContact CG-CB 4.05Å; P1494-A1498 PolarHBondContact O-N 3.43Å; Y1495-A1498 PolarHBondContact O-N 3.23Å; A1498-K1500 VanDerWaalsContact C-N 3.32Å; A1498-K1500 PolarHBondContact O-N 3.44Å; A1498-K1501 PolarHBondContact O-N 2.78Å; A1498-L1502 WeakPolarHBondContact O-CG 3.46Å; A1498-L1502 PolarHBondContact O-N 3.26Å
1499Y87.8Confident84.3Confident30 Ų3054.2 Ų54.212%0.11827%0.265CS..Hα-helixtrans-58.3-43.1175-66.7-6.7000111.4Y1477 Y1495 K1501 L1502 I1503 Y1583 L1587Y1477-Y1499 HydrophobicContact CE1-CE1 4.47Å; Y1477-Y1499 HydrophobicContact CE2-CD1 4.22Å; Y1477-Y1499 AromaticContact CE2-CE1 3.84Å; Y1477-Y1499 HydrophobicContact CE2-CE1 3.84Å; Y1477-Y1499 AromaticContact CZ-CE1 3.75Å; Y1495-Y1499 HydrophobicContact CD2-CE2 4.14Å; Y1495-Y1499 WeakPolarHBondContact O-CB 3.42Å; Y1495-Y1499 WeakPolarHBondContact O-CD1 3.44Å; Y1495-Y1499 VanDerWaalsContact O-CG 3.29Å; Y1495-Y1499 PolarHBondContact O-N 2.8Å; Y1499-K1501 PolarHBondContact O-N 3.26Å; Y1499-L1502 PolarHBondContact O-N 3.07Å; Y1499-I1503 WeakPolarHBondContact O-CD1 3.35Å; Y1499-I1503 VanDerWaalsContact O-CG1 3.24Å; Y1499-I1503 WeakPolarHBondContact O-CG1 3.33Å; Y1499-I1503 PolarHBondContact O-N 3.06Å; Y1499-Y1583 AromaticContact CD1-CD1 3.42Å; Y1499-Y1583 HydrophobicContact CD1-CD1 3.42Å; Y1499-Y1583 VanDerWaalsContact CD1-CD1 3.42Å; Y1499-Y1583 HydrophobicContact CD1-CE1 4Å; Y1499-Y1583 HydrophobicContact CD1-CG 4.03Å; Y1499-Y1583 HydrophobicContact CD2-CD1 4.45Å; Y1499-Y1583 AromaticContact CE1-CD1 3.3Å; Y1499-Y1583 HydrophobicContact CE1-CD1 3.3Å; Y1499-Y1583 AromaticContact CE1-CE1 3.49Å; Y1499-Y1583 HydrophobicContact CE1-CE1 3.49Å; Y1499-Y1583 VanDerWaalsContact CE1-CE1 3.49Å; Y1499-Y1583 HydrophobicContact CE1-CG 4.32Å; Y1499-Y1583 HydrophobicContact CE2-CD1 4.36Å; Y1499-Y1583 HydrophobicContact CG-CD1 4.02Å; Y1499-Y1583 HydrophobicContact CG-CG 4.46Å; Y1499-Y1583 AromaticContact CZ-CD1 3.81Å; Y1499-L1587 HydrophobicContact CD2-CB 4.48Å
1500K86.6Confident84Confident78 Ų7856.9 Ų56.934%0.33928%0.279SS..Hα-helixtrans-64-35.8177.1-169.8172.5162-82.10113.2R1496 L1497 A1498 R1504 A1928 H1929R1496-K1500 WeakPolarHBondContact O-CB 3.25Å; R1496-K1500 PolarHBondContact O-N 3.47Å; R1496-K1500 VanDerWaalsContact O-N 3.11Å; L1497-K1500 PolarHBondContact O-N 2.94Å; A1498-K1500 VanDerWaalsContact C-N 3.32Å; A1498-K1500 PolarHBondContact O-N 3.44Å; K1500-R1504 PolarHBondContact O-N 3.37Å; K1500-A1928 PolarHBondContact NZ-O 2.8Å; K1500-H1929 WeakPolarHBondContact CG-NE2 3.25Å; K1500-H1929 PolarHBondContact NZ-CD2 2.94Å; K1500-H1929 PolarHBondContact NZ-NE2 2.66Å
1501K84.4Confident83.9Confident59 Ų5962.2 Ų62.226%0.25732%0.315SS..Hα-helixtrans-64.6-47.4169.6-79.7-168.6171.8-169.70111.9F1489 L1497 A1498 Y1499 I1503 R1504 M1505F1489-K1501 HydrophobicContact CD1-CD 3.93Å; F1489-K1501 HydrophobicContact CE1-CB 3.86Å; F1489-K1501 HydrophobicContact CE1-CD 3.64Å; F1489-K1501 HydrophobicContact CE1-CG 4.4Å; F1489-K1501 HydrophobicContact CZ-CB 4.21Å; L1497-K1501 PolarHBondContact O-N 3.48Å; L1497-K1501 VanDerWaalsContact O-N 3.12Å; A1498-K1501 PolarHBondContact O-N 2.78Å; Y1499-K1501 PolarHBondContact O-N 3.26Å; K1501-I1503 VanDerWaalsContact C-N 3.28Å; K1501-I1503 PolarHBondContact O-N 3.45Å; K1501-R1504 PolarHBondContact O-N 3.36Å; K1501-M1505 HydrophobicContact CB-CE 4.3Å; K1501-M1505 WeakPolarHBondContact O-CG 3.37Å; K1501-M1505 PolarHBondContact O-N 3.33Å; K1501-M1505 VanDerWaalsContact O-N 3.12Å
1502L86.5Confident83.9Confident0 Ų058.8 Ų58.80%031%0.311CS..Hα-helixtrans-60.2-35.2178.9-70.4172.3000113.1M1476 Y1477 L1480 F1489 A1498 Y1499 R1504 M1505 N1506 M1507 V1579 Y1583M1476-L1502 HydrophobicContact CE-CD2 3.96Å; Y1477-L1502 HydrophobicContact CD2-CD1 3.99Å; L1480-L1502 HydrophobicContact CD1-CD2 4.09Å; F1489-L1502 HydrophobicContact CE2-CD1 4.24Å; F1489-L1502 HydrophobicContact CE2-CD2 4.14Å; F1489-L1502 HydrophobicContact CE2-CG 4.01Å; F1489-L1502 HydrophobicContact CZ-CD2 3.91Å; F1489-L1502 HydrophobicContact CZ-CG 3.9Å; A1498-L1502 WeakPolarHBondContact O-CG 3.46Å; A1498-L1502 PolarHBondContact O-N 3.26Å; Y1499-L1502 PolarHBondContact O-N 3.07Å; L1502-R1504 VanDerWaalsContact C-N 3.35Å; L1502-M1505 HydrophobicContact CD2-SD 4.16Å; L1502-M1505 PolarHBondContact O-N 3.08Å; L1502-N1506 PolarHBondContact O-N 2.99Å; L1502-M1507 HydrophobicContact CD2-CE 3.71Å; L1502-V1579 HydrophobicContact CB-CG1 4.49Å; L1502-V1579 HydrophobicContact CD2-CG1 4.32Å; L1502-Y1583 HydrophobicContact CB-CD2 4.39Å; L1502-Y1583 HydrophobicContact CD1-CD2 3.73Å; L1502-Y1583 HydrophobicContact CD1-CE2 3.82Å; L1502-Y1583 HydrophobicContact CD1-CG 4.19Å
1503I85.5Confident84.1Confident51 Ų5151.6 Ų51.626%0.26228%0.277SS..Hα-helixtrans-62.8-39.3173.9-68.5163.2000111.5Y1499 K1501 M1505 N1506 A1584Y1499-I1503 WeakPolarHBondContact O-CD1 3.35Å; Y1499-I1503 VanDerWaalsContact O-CG1 3.24Å; Y1499-I1503 WeakPolarHBondContact O-CG1 3.33Å; Y1499-I1503 PolarHBondContact O-N 3.06Å; K1501-I1503 VanDerWaalsContact C-N 3.28Å; K1501-I1503 PolarHBondContact O-N 3.45Å; I1503-M1505 VanDerWaalsContact C-N 3.35Å; I1503-N1506 PolarHBondContact O-OD1 2.79Å; I1503-A1584 HydrophobicContact CD1-CB 3.93Å; I1503-A1584 HydrophobicContact CG1-CB 4.09Å
1504R83.6Confident84.6Confident65 Ų6551.7 Ų51.725%0.24528%0.276CS..Hα-helixtrans-73.5-24.9176.9-63.6-176.777.9-139.4-0.4113.4K1500 K1501 L1502 E1527K1500-R1504 PolarHBondContact O-N 3.37Å; K1501-R1504 PolarHBondContact O-N 3.36Å; L1502-R1504 VanDerWaalsContact C-N 3.35Å; R1504-E1527 WeakPolarHBondContact CD-OE1 3.48Å; R1504-E1527 IonicContact CZ-OE1 3.83Å; R1504-E1527 IonicContact CZ-OE2 3.98Å; R1504-E1527 VanDerWaalsContact CZ-OE2 3.26Å; R1504-E1527 IonicContact NE-OE1 2.9Å; R1504-E1527 IonicContact NE-OE2 2.88Å; R1504-E1527 IonicContact NH1-OE1 3.57Å; R1504-E1527 PolarHBondContact NH1-OE1 3.05Å; R1504-E1527 IonicContact NH1-OE2 2.82Å; R1504-E1527 PolarHBondContact NH1-OE2 3.34Å; R1504-E1527 IonicContact NH2-OE2 3.75Å
1505M81.3Confident84.8Confident18 Ų1848 Ų489%0.08925%0.252CS..Hα-helixtrans-77.3-24.3178.8-68.7169.7-177.800114.1F1489 K1501 L1502 I1503 M1507 A1523 L1524 E1527F1489-M1505 HydrophobicContact CE1-CE 4.25Å; F1489-M1505 HydrophobicContact CZ-CE 4.46Å; K1501-M1505 HydrophobicContact CB-CE 4.3Å; K1501-M1505 WeakPolarHBondContact O-CG 3.37Å; K1501-M1505 PolarHBondContact O-N 3.33Å; K1501-M1505 VanDerWaalsContact O-N 3.12Å; L1502-M1505 HydrophobicContact CD2-SD 4.16Å; L1502-M1505 PolarHBondContact O-N 3.08Å; I1503-M1505 VanDerWaalsContact C-N 3.35Å; M1505-M1507 HydrophobicContact CB-CE 4.1Å; M1505-M1507 HydrophobicContact CB-CG 4.23Å; M1505-M1507 HydrophobicContact CB-SD 4.48Å; M1505-M1507 PolarHBondContact O-N 2.99Å; M1505-M1507 HydrophobicContact SD-CE 4.25Å; M1505-A1523 HydrophobicContact CB-CB 4.17Å; M1505-A1523 HydrophobicContact CG-CB 4.49Å; M1505-L1524 HydrophobicContact CE-CD1 3.73Å; M1505-L1524 HydrophobicContact SD-CD1 4.5Å; M1505-E1527 HydrophobicContact CE-CB 3.98Å; M1505-E1527 HydrophobicContact CE-CG 3.85Å; M1505-E1527 HydrophobicContact CG-CB 4.05Å; M1505-E1527 HydrophobicContact CG-CG 4.31Å
1506N79.4Confident85.2Confident72 Ų7245.3 Ų45.339%0.38524%0.244SC..  trans46.829.9172.4-94.6-29.8000117.3L1502 I1503 Y1572L1502-N1506 PolarHBondContact O-N 2.99Å; I1503-N1506 PolarHBondContact O-OD1 2.79Å; N1506-Y1572 WeakPolarHBondContact O-CE1 3.35Å
1507M86Confident85.5Confident5 Ų540.8 Ų40.83%0.02523%0.226CC..  trans-58.7132.9-175.2-62.6169.3-70.100112.2M1476 L1502 M1505 T1520 A1523 T1578 V1579M1476-M1507 HydrophobicContact CE-CE 4.13Å; M1476-M1507 HydrophobicContact SD-CE 3.79Å; M1476-M1507 HydrophobicContact SD-SD 4.25Å; L1502-M1507 HydrophobicContact CD2-CE 3.71Å; M1505-M1507 HydrophobicContact CB-CE 4.1Å; M1505-M1507 HydrophobicContact CB-CG 4.23Å; M1505-M1507 HydrophobicContact CB-SD 4.48Å; M1505-M1507 PolarHBondContact O-N 2.99Å; M1505-M1507 HydrophobicContact SD-CE 4.25Å; M1507-T1520 HydrophobicContact SD-CG2 3.72Å; M1507-A1523 HydrophobicContact CG-CB 3.72Å; M1507-A1523 HydrophobicContact SD-CB 4.14Å; M1507-T1578 WeakPolarHBondContact O-CA 3.4Å; M1507-T1578 WeakPolarHBondContact O-CB 3.36Å; M1507-V1579 HydrophobicContact CB-CB 4.31Å; M1507-V1579 HydrophobicContact CB-CG2 4.04Å; M1507-V1579 HydrophobicContact CE-CB 4.25Å; M1507-V1579 HydrophobicContact CE-CG1 4.01Å; M1507-V1579 HydrophobicContact CE-CG2 4.42Å; M1507-V1579 PolarHBondContact O-N 3.36Å
1508P86Confident85.7Confident19 Ų1937.8 Ų37.812%0.12321%0.211CC..BIsolated β-bridgetrans-70.5155.5177.732-37.5000111.5T1519 P1567P1508-T1519 HydrophobicContact CG-CG2 4.43Å; P1508-P1567 HydrophobicContact CG-CG 3.82Å
1509L85.9Confident86Confident21 Ų2138.2 Ų38.211%0.1121%0.214CC..  trans-115.1140173.1-69.2161.3000109.5V1515 L1577 V1579 I1582L1509-V1515 HydrophobicContact CD2-CG1 3.67Å; L1509-L1577 HydrophobicContact CD1-CG 4.43Å; L1509-V1579 HydrophobicContact CD1-CG2 4.4Å; L1509-V1579 HydrophobicContact CD2-CG2 3.87Å; L1509-V1579 HydrophobicContact CG-CG2 4.04Å; L1509-I1582 HydrophobicContact CD1-CD1 3.53Å; L1509-I1582 HydrophobicContact CD1-CG1 4.38Å
1510D82.6Confident86.1Confident68 Ų6837 Ų3736%0.36421%0.21SC..  trans-79.4166.2165.4-159.61.9000110.7R1470 A1512 G1513 T1514R1470-D1510 IonicContact CZ-OD2 2.89Å; R1470-D1510 IonicContact NH1-OD2 2.83Å; R1470-D1510 PolarHBondContact NH1-OD2 2.92Å; R1470-D1510 IonicContact NH2-OD2 2.63Å; R1470-D1510 PolarHBondContact NH2-OD2 3.39Å; D1510-A1512 PolarHBondContact O-N 2.87Å; D1510-G1513 PolarHBondContact O-N 3.07Å; D1510-T1514 PolarHBondContact N-O 3.39Å; D1510-T1514 VanDerWaalsContact N-O 3.09Å
1511S82.5Confident86.3Confident121 Ų12133.3 Ų33.385%0.84619%0.194SC*.THydrogen-bonded Turntrans-51.9-29.5-179.558.50000114.3G1513S1511-G1513 VanDerWaalsContact C-N 3.29Å; S1511-G1513 PolarHBondContact O-N 2.97Å
1512A82.1Confident86.6Confident67 Ų6730.8 Ų30.855%0.55418%0.183SC*.THydrogen-bonded Turntrans-82.811.9176.200000114.9D1510 T1514D1510-A1512 PolarHBondContact O-N 2.87Å; A1512-T1514 HydrophobicContact CB-CG2 4.39Å; A1512-T1514 PolarHBondContact O-N 3.14Å
1513G84.4Confident86.7Confident18 Ų1831.4 Ų31.419%0.18619%0.188CC..SBendtrans67.521.1-177.800000114.2H1472 Y1473 D1510 S1511H1472-G1513 PolarHBondContact CD2-O 3.19Å; H1472-G1513 VanDerWaalsContact CD2-O 3.3Å; Y1473-G1513 WeakPolarHBondContact CD1-O 3.19Å; Y1473-G1513 PolarHBondContact N-O 3.43Å; D1510-G1513 PolarHBondContact O-N 3.07Å; S1511-G1513 VanDerWaalsContact C-N 3.29Å; S1511-G1513 PolarHBondContact O-N 2.97Å
1514T89.8Confident86.9Confident26 Ų2629.3 Ų29.316%0.1618%0.177CC..EExtended strand (participates in β ladder)trans-103149.2-176.860.40000112.5I1471 D1510 A1512I1471-T1514 VanDerWaalsContact O-CA 3.29Å; I1471-T1514 WeakPolarHBondContact O-CA 3.26Å; I1471-T1514 WeakPolarHBondContact O-CB 3.16Å; D1510-T1514 PolarHBondContact N-O 3.39Å; D1510-T1514 VanDerWaalsContact N-O 3.09Å; A1512-T1514 HydrophobicContact CB-CG2 4.39Å; A1512-T1514 PolarHBondContact O-N 3.14Å
1515V90.4Very high87.2Confident1 Ų126.3 Ų26.31%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-106.8149.3174.2-65.90000110.5R1470 I1471 M1476 L1509 T1520 V1579R1470-V1515 WeakPolarHBondContact CA-O 3.26Å; I1471-V1515 PolarHBondContact N-O 3.24Å; I1471-V1515 WeakPolarHBondContact O-CG2 3.49Å; I1471-V1515 PolarHBondContact O-N 3.21Å; M1476-V1515 HydrophobicContact CB-CG2 3.93Å; M1476-V1515 HydrophobicContact CG-CG2 3.91Å; M1476-V1515 HydrophobicContact SD-CB 4.5Å; M1476-V1515 HydrophobicContact SD-CG1 4.21Å; M1476-V1515 HydrophobicContact SD-CG2 3.93Å; L1509-V1515 HydrophobicContact CD2-CG1 3.67Å; V1515-T1520 HydrophobicContact CB-CG2 3.68Å; V1515-T1520 HydrophobicContact CG1-CG2 4.47Å; V1515-T1520 HydrophobicContact CG2-CG2 3.71Å; V1515-V1579 HydrophobicContact CG1-CG2 3.69Å
1516H90.1Very high87.6Confident53 Ų5326.3 Ų26.325%0.24517%0.165CC..EExtended strand (participates in β ladder)trans-94.6144-179.1-176.7-102000112.4G1469 T1518 T1519 T1520G1469-H1516 PolarHBondContact O-CD2 3.29Å; G1469-H1516 VanDerWaalsContact O-CD2 3.23Å; H1516-T1518 PolarHBondContact CE1-OG1 3.08Å; H1516-T1518 PolarHBondContact ND1-N 3.17Å; H1516-T1518 PolarHBondContact O-N 2.77Å; H1516-T1519 WeakPolarHBondContact CB-OG1 3.35Å; H1516-T1519 PolarHBondContact O-N 3.29Å; H1516-T1519 PolarHBondContact O-OG1 3.44Å; H1516-T1520 WeakPolarHBondContact O-CG2 3.42Å; H1516-T1520 PolarHBondContact O-N 2.77Å; H1516-T1520 VanDerWaalsContact O-N 3.08Å; H1516-T1520 PolarHBondContact O-OG1 3.17Å
1517F91.4Very high88Confident1 Ų123.5 Ų23.50%0.00415%0.15CC..Hα-helixtrans-52.8-49.5-179.2171.3-94.5000113.5S1162 P1164 F1456 I1457 W1460 G1469 T1520 L1521S1162-F1517 WeakPolarHBondContact OG-CE1 3.28Å; P1164-F1517 HydrophobicContact CB-CD2 4.37Å; F1456-F1517 HydrophobicContact CD1-CE2 4.03Å; F1456-F1517 AromaticContact CE1-CD2 3.9Å; F1456-F1517 HydrophobicContact CE1-CD2 3.9Å; F1456-F1517 AromaticContact CE1-CE2 3.75Å; F1456-F1517 HydrophobicContact CE1-CE2 3.75Å; I1457-F1517 HydrophobicContact CD1-CZ 4.31Å; I1457-F1517 HydrophobicContact CG1-CE2 4.33Å; I1457-F1517 HydrophobicContact CG1-CZ 4.02Å; I1457-F1517 HydrophobicContact CG2-CE2 4.36Å; I1457-F1517 HydrophobicContact CG2-CZ 4.36Å; W1460-F1517 HydrophobicContact CB-CD2 4.49Å; W1460-F1517 HydrophobicContact CB-CE2 4.49Å; W1460-F1517 HydrophobicContact CD2-CB 4.48Å; W1460-F1517 AromaticContact CD2-CD2 3.6Å; W1460-F1517 HydrophobicContact CD2-CD2 3.6Å; W1460-F1517 HydrophobicContact CD2-CE2 4.41Å; W1460-F1517 AromaticContact CE2-CD2 3.8Å; W1460-F1517 AromaticContact CE3-CD2 3.99Å; W1460-F1517 HydrophobicContact CE3-CD2 3.99Å; W1460-F1517 AromaticContact CG-CD2 3.8Å; W1460-F1517 HydrophobicContact CG-CD2 3.8Å; W1460-F1517 HydrophobicContact CG-CE2 4.24Å; W1460-F1517 HydrophobicContact CH2-CB 4.06Å; W1460-F1517 HydrophobicContact CZ2-CB 3.72Å; W1460-F1517 HydrophobicContact CZ2-CD2 4.39Å; G1469-F1517 PolarHBondContact O-N 3.23Å; F1517-T1520 PolarHBondContact O-OG1 3.14Å; F1517-L1521 HydrophobicContact CE1-CD2 4.37Å; F1517-L1521 HydrophobicContact CZ-CD2 4.18Å; F1517-L1521 WeakPolarHBondContact O-CB 3.33Å; F1517-L1521 PolarHBondContact O-N 3.11Å; F1517-L1521 VanDerWaalsContact O-N 3.13Å
1518T89.6Confident88Confident19 Ų1925.5 Ų25.512%0.11716%0.164CC..Hα-helixtrans-72.7-33.8-175.8-49.20000112.7H1516 F1522 L1565H1516-T1518 PolarHBondContact CE1-OG1 3.08Å; H1516-T1518 PolarHBondContact ND1-N 3.17Å; H1516-T1518 PolarHBondContact O-N 2.77Å; T1518-F1522 VanDerWaalsContact O-CB 3.29Å; T1518-F1522 WeakPolarHBondContact O-CB 3.37Å; T1518-F1522 PolarHBondContact O-N 3.06Å; T1518-L1565 HydrophobicContact CG2-CD2 3.72Å; T1518-L1565 HydrophobicContact CG2-CG 4.47Å
1519T89.7Confident87.9Confident11 Ų1126.2 Ų26.27%0.06717%0.167CC..Hα-helixtrans-70.4-42.2177.848.20000111.1P1508 H1516 A1523 L1564P1508-T1519 HydrophobicContact CG-CG2 4.43Å; H1516-T1519 WeakPolarHBondContact CB-OG1 3.35Å; H1516-T1519 PolarHBondContact O-N 3.29Å; H1516-T1519 PolarHBondContact O-OG1 3.44Å; T1519-A1523 VanDerWaalsContact O-CB 3.29Å; T1519-A1523 WeakPolarHBondContact O-CB 3.31Å; T1519-A1523 PolarHBondContact O-N 3.26Å; T1519-L1564 HydrophobicContact CG2-CD1 4.41Å; T1519-L1564 WeakPolarHBondContact CG2-O 3.42Å
1520T90.6Very high87.9Confident5 Ų526.8 Ų26.83%0.03118%0.178CC..Hα-helixtrans-66.6-46.6-179.751.60000110.9M1476 M1507 V1515 H1516 F1517 A1523 L1524M1476-T1520 HydrophobicContact CG-CG2 4.39Å; M1476-T1520 HydrophobicContact SD-CG2 3.97Å; M1507-T1520 HydrophobicContact SD-CG2 3.72Å; V1515-T1520 HydrophobicContact CB-CG2 3.68Å; V1515-T1520 HydrophobicContact CG1-CG2 4.47Å; V1515-T1520 HydrophobicContact CG2-CG2 3.71Å; H1516-T1520 WeakPolarHBondContact O-CG2 3.42Å; H1516-T1520 PolarHBondContact O-N 2.77Å; H1516-T1520 VanDerWaalsContact O-N 3.08Å; H1516-T1520 PolarHBondContact O-OG1 3.17Å; F1517-T1520 PolarHBondContact O-OG1 3.14Å; T1520-A1523 PolarHBondContact O-N 2.94Å; T1520-L1524 VanDerWaalsContact O-CB 3.27Å; T1520-L1524 WeakPolarHBondContact O-CB 3.41Å; T1520-L1524 PolarHBondContact O-N 3.24Å
1521L91.1Very high88Confident0 Ų023.8 Ų23.80%016%0.162CC..Hα-helixtrans-61.8-44176.9-177.857.2000112.7A1159 S1162 L1453 F1456 F1517 L1524 V1525A1159-L1521 HydrophobicContact CB-CD2 4.31Å; A1159-L1521 HydrophobicContact CB-CG 4.17Å; S1162-L1521 WeakPolarHBondContact OG-CD2 3.49Å; L1453-L1521 HydrophobicContact CB-CD1 4.48Å; L1453-L1521 HydrophobicContact CD2-CD1 3.97Å; F1456-L1521 HydrophobicContact CB-CD1 4.41Å; F1456-L1521 HydrophobicContact CD1-CB 4.31Å; F1456-L1521 HydrophobicContact CD1-CD1 3.8Å; F1456-L1521 HydrophobicContact CD1-CD2 4.37Å; F1456-L1521 HydrophobicContact CD1-CG 4.38Å; F1456-L1521 HydrophobicContact CE1-CB 3.82Å; F1456-L1521 HydrophobicContact CE1-CD1 4.17Å; F1456-L1521 HydrophobicContact CE1-CG 4.39Å; F1456-L1521 HydrophobicContact CG-CD1 4.03Å; F1456-L1521 HydrophobicContact CZ-CB 4.2Å; F1517-L1521 HydrophobicContact CE1-CD2 4.37Å; F1517-L1521 HydrophobicContact CZ-CD2 4.18Å; F1517-L1521 WeakPolarHBondContact O-CB 3.33Å; F1517-L1521 PolarHBondContact O-N 3.11Å; F1517-L1521 VanDerWaalsContact O-N 3.13Å; L1521-L1524 WeakPolarHBondContact O-CB 3.42Å; L1521-L1524 PolarHBondContact O-N 2.79Å; L1521-V1525 HydrophobicContact CD1-CG2 4.46Å; L1521-V1525 WeakPolarHBondContact O-CG2 3.49Å; L1521-V1525 PolarHBondContact O-N 2.79Å
1522F91Very high88.1Confident6 Ų619.9 Ų19.93%0.02613%0.13CC..Hα-helixtrans-67.7-42.6179.2-174.7-98.3000112.3I1156 A1159 T1518 L1524 V1525 R1526 L1546 I1550 L1565 L1566I1156-F1522 HydrophobicContact CD1-CE2 4.5Å; I1156-F1522 HydrophobicContact CG1-CE2 4.05Å; I1156-F1522 HydrophobicContact CG2-CE2 4.17Å; A1159-F1522 HydrophobicContact CB-CD2 4.33Å; T1518-F1522 VanDerWaalsContact O-CB 3.29Å; T1518-F1522 WeakPolarHBondContact O-CB 3.37Å; T1518-F1522 PolarHBondContact O-N 3.06Å; F1522-L1524 VanDerWaalsContact C-N 3.31Å; F1522-L1524 PolarHBondContact O-N 2.78Å; F1522-V1525 PolarHBondContact O-N 2.69Å; F1522-R1526 WeakPolarHBondContact O-CB 3.2Å; F1522-R1526 PolarHBondContact O-N 3.09Å; F1522-L1546 HydrophobicContact CZ-CD2 4.26Å; F1522-I1550 HydrophobicContact CE2-CD1 4.5Å; F1522-I1550 HydrophobicContact CZ-CD1 4.15Å; F1522-L1565 HydrophobicContact CB-CD2 4.04Å; F1522-L1565 HydrophobicContact CD1-CB 4.27Å; F1522-L1565 WeakPolarHBondContact CD1-O 3.49Å; F1522-L1565 HydrophobicContact CD2-CB 4.38Å; F1522-L1565 HydrophobicContact CD2-CD2 3.74Å; F1522-L1565 HydrophobicContact CE1-CB 4.43Å; F1522-L1565 HydrophobicContact CE2-CD2 4.41Å; F1522-L1565 HydrophobicContact CG-CB 4.24Å; F1522-L1565 HydrophobicContact CG-CD2 3.94Å; F1522-L1566 HydrophobicContact CE1-CD1 3.59Å; F1522-L1566 HydrophobicContact CE1-CG 3.95Å; F1522-L1566 HydrophobicContact CZ-CD1 3.69Å; F1522-L1566 HydrophobicContact CZ-CG 4.48Å
1523A88.7Confident88.1Confident13 Ų1318.7 Ų18.711%0.10711%0.113CC..Hα-helixtrans-62.6-37.8175.400000112.3M1505 M1507 T1519 T1520 R1526 E1527M1505-A1523 HydrophobicContact CB-CB 4.17Å; M1505-A1523 HydrophobicContact CG-CB 4.49Å; M1507-A1523 HydrophobicContact CG-CB 3.72Å; M1507-A1523 HydrophobicContact SD-CB 4.14Å; T1519-A1523 VanDerWaalsContact O-CB 3.29Å; T1519-A1523 WeakPolarHBondContact O-CB 3.31Å; T1519-A1523 PolarHBondContact O-N 3.26Å; T1520-A1523 PolarHBondContact O-N 2.94Å; A1523-R1526 PolarHBondContact O-N 3.16Å; A1523-E1527 PolarHBondContact O-N 3.42Å; A1523-E1527 VanDerWaalsContact O-N 3.08Å
1524L89.3Confident87.9Confident7 Ų718.7 Ų18.74%0.03711%0.111CC..Hα-helixtrans-62.8-47.8175.3-166.167.8000111.7F1456 L1480 V1487 M1505 T1520 L1521 F1522 S1528F1456-L1524 HydrophobicContact CD2-CD2 3.88Å; F1456-L1524 HydrophobicContact CE2-CD2 4.11Å; L1480-L1524 HydrophobicContact CD2-CD1 3.95Å; L1480-L1524 HydrophobicContact CD2-CD2 4.17Å; V1487-L1524 HydrophobicContact CG1-CD2 3.91Å; V1487-L1524 WeakPolarHBondContact O-CD1 3.07Å; V1487-L1524 WeakPolarHBondContact O-CD2 3.5Å; M1505-L1524 HydrophobicContact CE-CD1 3.73Å; M1505-L1524 HydrophobicContact SD-CD1 4.5Å; T1520-L1524 VanDerWaalsContact O-CB 3.27Å; T1520-L1524 WeakPolarHBondContact O-CB 3.41Å; T1520-L1524 PolarHBondContact O-N 3.24Å; L1521-L1524 WeakPolarHBondContact O-CB 3.42Å; L1521-L1524 PolarHBondContact O-N 2.79Å; F1522-L1524 VanDerWaalsContact C-N 3.31Å; F1522-L1524 PolarHBondContact O-N 2.78Å; L1524-S1528 WeakPolarHBondContact O-CB 3.42Å; L1524-S1528 PolarHBondContact O-N 3.24Å; L1524-S1528 PolarHBondContact O-OG 3.04Å
1525V90Very high87.4Confident1 Ų119 Ų191%0.00611%0.114CC..Hα-helixtrans-61.8-40.51751680000111.6C1155 L1448 L1453 L1521 F1522 S1528 L1529 I1531C1155-V1525 HydrophobicContact CB-CG1 3.77Å; L1448-V1525 HydrophobicContact CD2-CG2 4.26Å; L1453-V1525 HydrophobicContact CD1-CG2 3.79Å; L1453-V1525 HydrophobicContact CD2-CG2 3.84Å; L1521-V1525 HydrophobicContact CD1-CG2 4.46Å; L1521-V1525 WeakPolarHBondContact O-CG2 3.49Å; L1521-V1525 PolarHBondContact O-N 2.79Å; F1522-V1525 PolarHBondContact O-N 2.69Å; V1525-S1528 WeakPolarHBondContact CA-OG 3.48Å; V1525-S1528 PolarHBondContact O-OG 3.45Å; V1525-S1528 VanDerWaalsContact O-OG 3.09Å; V1525-L1529 HydrophobicContact CG1-CD1 4.21Å; V1525-L1529 WeakPolarHBondContact O-CB 3.41Å; V1525-L1529 PolarHBondContact O-N 2.87Å; V1525-L1529 VanDerWaalsContact O-N 3.09Å; V1525-I1531 HydrophobicContact CG1-CD1 4.16Å
1526R89.8Confident86.6Confident19 Ų1923.1 Ų23.17%0.07215%0.148CC..Hα-helixtrans-67.5-45.3-178.1-164.6-171.7174.4-175.2-4.2112.9F1522 A1523 G1530 I1531 K1532 M1533 D1543F1522-R1526 WeakPolarHBondContact O-CB 3.2Å; F1522-R1526 PolarHBondContact O-N 3.09Å; A1523-R1526 PolarHBondContact O-N 3.16Å; R1526-G1530 CarbonylContact O-C 3.58Å; R1526-G1530 WeakPolarHBondContact O-CA 3.41Å; R1526-G1530 PolarHBondContact O-N 2.69Å; R1526-I1531 HydrophobicContact CG-CB 4.21Å; R1526-I1531 VanDerWaalsContact CG-O 3.27Å; R1526-I1531 WeakPolarHBondContact CG-O 3.16Å; R1526-I1531 PolarHBondContact NE-O 2.88Å; R1526-I1531 VanDerWaalsContact NE-O 3.12Å; R1526-I1531 PolarHBondContact O-N 3Å; R1526-I1531 VanDerWaalsContact O-N 3.1Å; R1526-K1532 PolarHBondContact NH2-O 3.47Å; R1526-M1533 HydrophobicContact CB-CE 4.2Å; R1526-M1533 HydrophobicContact CG-CE 3.84Å; R1526-M1533 HydrophobicContact CG-CG 4.31Å; R1526-M1533 HydrophobicContact CG-SD 4.08Å; R1526-D1543 IonicContact CZ-OD1 2.72Å; R1526-D1543 IonicContact CZ-OD2 3.69Å; R1526-D1543 IonicContact NH1-OD1 2.75Å; R1526-D1543 PolarHBondContact NH1-OD1 3.23Å; R1526-D1543 IonicContact NH1-OD2 3.14Å; R1526-D1543 PolarHBondContact NH1-OD2 2.81Å; R1526-D1543 IonicContact NH2-OD1 3.87Å; R1526-D1543 PolarHBondContact NH2-OD1 2.82Å; R1526-D1543 IonicContact NH2-OD2 3.26Å
1527E86.6Confident86Confident12 Ų1227.3 Ų27.36%0.05617%0.167CC..Hα-helixtrans-72.5-32.8-179.617163.4177.600112.7R1504 M1505 A1523 M1533 H1929R1504-E1527 WeakPolarHBondContact CD-OE1 3.48Å; R1504-E1527 IonicContact CZ-OE1 3.83Å; R1504-E1527 IonicContact CZ-OE2 3.98Å; R1504-E1527 VanDerWaalsContact CZ-OE2 3.26Å; R1504-E1527 IonicContact NE-OE1 2.9Å; R1504-E1527 IonicContact NE-OE2 2.88Å; R1504-E1527 IonicContact NH1-OE1 3.57Å; R1504-E1527 PolarHBondContact NH1-OE1 3.05Å; R1504-E1527 IonicContact NH1-OE2 2.82Å; R1504-E1527 PolarHBondContact NH1-OE2 3.34Å; R1504-E1527 IonicContact NH2-OE2 3.75Å; M1505-E1527 HydrophobicContact CE-CB 3.98Å; M1505-E1527 HydrophobicContact CE-CG 3.85Å; M1505-E1527 HydrophobicContact CG-CB 4.05Å; M1505-E1527 HydrophobicContact CG-CG 4.31Å; A1523-E1527 PolarHBondContact O-N 3.42Å; A1523-E1527 VanDerWaalsContact O-N 3.08Å; E1527-M1533 HydrophobicContact CB-CE 3.88Å; E1527-H1929 IonicContact OE1-CD2 3.44Å
1528S85.6Confident85.7Confident47 Ų4731.9 Ų31.933%0.32919%0.187SC..Hα-helixtrans-78.1-38.1179.952.20000113.8L1448 L1524 V1525L1448-S1528 WeakPolarHBondContact CD2-OG 3.43Å; L1524-S1528 WeakPolarHBondContact O-CB 3.42Å; L1524-S1528 PolarHBondContact O-N 3.24Å; L1524-S1528 PolarHBondContact O-OG 3.04Å; V1525-S1528 WeakPolarHBondContact CA-OG 3.48Å; V1525-S1528 PolarHBondContact O-OG 3.45Å; V1525-S1528 VanDerWaalsContact O-OG 3.09Å
1529L84.8Confident85.3Confident35 Ų3532.7 Ų32.718%0.18319%0.19CC..Hα-helixtrans-94.90.8176.6-65.6179.3000113.8Q1152 C1155 L1448 V1525 I1531Q1152-L1529 HydrophobicContact CG-CD1 4.41Å; Q1152-L1529 PolarHBondContact NE2-O 3.11Å; C1155-L1529 HydrophobicContact CB-CD1 3.83Å; L1448-L1529 HydrophobicContact CB-CD2 4.07Å; L1448-L1529 HydrophobicContact CB-CG 4.36Å; V1525-L1529 HydrophobicContact CG1-CD1 4.21Å; V1525-L1529 WeakPolarHBondContact O-CB 3.41Å; V1525-L1529 PolarHBondContact O-N 2.87Å; V1525-L1529 VanDerWaalsContact O-N 3.09Å; L1529-I1531 VanDerWaalsContact C-N 3.26Å; L1529-I1531 HydrophobicContact CB-CD1 4.04Å; L1529-I1531 HydrophobicContact CB-CG1 3.72Å; L1529-I1531 HydrophobicContact CD1-CD1 4.27Å; L1529-I1531 PolarHBondContact O-N 3.23Å
1530G85.7Confident84.9Confident33 Ų3337.3 Ų37.334%0.3422%0.215SC..THydrogen-bonded Turntrans65.621.3177.300000115.2R1526 K1532 M1533R1526-G1530 CarbonylContact O-C 3.58Å; R1526-G1530 WeakPolarHBondContact O-CA 3.41Å; R1526-G1530 PolarHBondContact O-N 2.69Å; G1530-K1532 PolarHBondContact O-N 2.78Å; G1530-K1532 VanDerWaalsContact O-N 3.1Å; G1530-M1533 PolarHBondContact O-N 2.87Å
1531I85.9Confident84.7Confident4 Ų441.8 Ų41.82%0.02124%0.237CC..THydrogen-bonded Turntrans-66.3111.8-166.3-50-179.4000110.9L1148 Q1152 I1156 V1525 R1526 L1529 M1533 L1546L1148-I1531 HydrophobicContact CD1-CG2 4.32Å; Q1152-I1531 HydrophobicContact CB-CD1 3.99Å; Q1152-I1531 HydrophobicContact CB-CG1 4.44Å; Q1152-I1531 HydrophobicContact CG-CD1 4.03Å; Q1152-I1531 HydrophobicContact CG-CG1 4.03Å; I1156-I1531 HydrophobicContact CD1-CD1 3.96Å; I1156-I1531 HydrophobicContact CD1-CG2 4.28Å; I1156-I1531 HydrophobicContact CG1-CD1 3.98Å; V1525-I1531 HydrophobicContact CG1-CD1 4.16Å; R1526-I1531 HydrophobicContact CG-CB 4.21Å; R1526-I1531 VanDerWaalsContact CG-O 3.27Å; R1526-I1531 WeakPolarHBondContact CG-O 3.16Å; R1526-I1531 PolarHBondContact NE-O 2.88Å; R1526-I1531 VanDerWaalsContact NE-O 3.12Å; R1526-I1531 PolarHBondContact O-N 3Å; R1526-I1531 VanDerWaalsContact O-N 3.1Å; L1529-I1531 VanDerWaalsContact C-N 3.26Å; L1529-I1531 HydrophobicContact CB-CD1 4.04Å; L1529-I1531 HydrophobicContact CB-CG1 3.72Å; L1529-I1531 HydrophobicContact CD1-CD1 4.27Å; L1529-I1531 PolarHBondContact O-N 3.23Å; I1531-M1533 PolarHBondContact O-N 3.39Å; I1531-M1533 VanDerWaalsContact O-N 3.15Å; I1531-L1546 HydrophobicContact CG2-CD1 4.15Å; I1531-L1546 HydrophobicContact CG2-CD2 4.45Å
1532K83.6Confident84.4Confident40 Ų4045 Ų4517%0.17425%0.251CS..THydrogen-bonded Turntrans39.351.3-172.3-62.4-166.3175.9-1750110.7E1147 R1526 G1530 K1542 E1545 L1546 T1549E1147-K1532 IonicContact OE2-NZ 2.67Å; E1147-K1532 PolarHBondContact OE2-NZ 2.9Å; R1526-K1532 PolarHBondContact NH2-O 3.47Å; G1530-K1532 PolarHBondContact O-N 2.78Å; G1530-K1532 VanDerWaalsContact O-N 3.1Å; K1532-K1542 HydrophobicContact CB-CB 4.19Å; K1532-K1542 VanDerWaalsContact O-CB 3.27Å; K1532-K1542 WeakPolarHBondContact O-CB 3.3Å; K1532-E1545 HydrophobicContact CD-CB 3.9Å; K1532-L1546 HydrophobicContact CB-CB 4.46Å; K1532-L1546 HydrophobicContact CD-CB 4.22Å; K1532-T1549 PolarHBondContact NZ-OG1 3.46Å
1533M81.9Confident84.2Confident42 Ų4245.2 Ų45.221%0.20725%0.253CS..  trans-92.5142.5174.9-77.1-59-147.500111.2R1526 E1527 G1530 I1531 M1539R1526-M1533 HydrophobicContact CB-CE 4.2Å; R1526-M1533 HydrophobicContact CG-CE 3.84Å; R1526-M1533 HydrophobicContact CG-CG 4.31Å; R1526-M1533 HydrophobicContact CG-SD 4.08Å; E1527-M1533 HydrophobicContact CB-CE 3.88Å; G1530-M1533 PolarHBondContact O-N 2.87Å; I1531-M1533 PolarHBondContact O-N 3.39Å; I1531-M1533 VanDerWaalsContact O-N 3.15Å; M1533-M1539 HydrophobicContact SD-CE 3.76Å; M1533-M1539 HydrophobicContact SD-SD 4.14Å
1534A81.3Confident84.1Confident18 Ų1847 Ų4715%0.14927%0.267CS..  trans-138.5173.9-172.800000111.8F1538 M1539 K1542A1534-F1538 HydrophobicContact CB-CB 4.04Å; A1534-M1539 HydrophobicContact CB-CG 4.35Å; A1534-M1539 HydrophobicContact CB-SD 3.86Å; A1534-M1539 PolarHBondContact N-SD 3.45Å; A1534-M1539 VanDerWaalsContact N-SD 3.35Å; A1534-K1542 HydrophobicContact CB-CG 3.86Å
1535P78.6Confident84Confident32 Ų3249.7 Ų49.721%0.20828%0.28CS..  trans-65.7153.5158.5-11.630.2000109E1537 F1538 M1539 T1925P1535-E1537 PolarHBondContact O-N 3.1Å; P1535-F1538 HydrophobicContact CG-CD2 4.46Å; P1535-F1538 PolarHBondContact O-N 2.93Å; P1535-M1539 PolarHBondContact O-N 3.34Å; P1535-T1925 WeakPolarHBondContact CG-O 3.4Å
1536A73.2Confident83.8Confident87 Ų8749.7 Ų49.772%0.71928%0.28SS*.G310 helixtrans-51.6-38.7-173.500000113.8F1538 M1539A1536-F1538 PolarHBondContact O-N 3.01Å; A1536-F1538 VanDerWaalsContact O-N 3.07Å; A1536-M1539 PolarHBondContact O-N 3.05Å
1537E78Confident83.7Confident142 Ų14250.3 Ų50.366%0.66428%0.282SS*.G310 helixtrans-55.2-21.1176.5-66160.1-149.400115.2P1535P1535-E1537 PolarHBondContact O-N 3.1Å
1538F84.4Confident83.7Confident97 Ų9754.6 Ų54.643%0.42530%0.302SS..G310 helixtrans-125.76.8-174.8-60.2-86000113.2A1534 P1535 A1536 I1541 K1542A1534-F1538 HydrophobicContact CB-CB 4.04Å; P1535-F1538 HydrophobicContact CG-CD2 4.46Å; P1535-F1538 PolarHBondContact O-N 2.93Å; A1536-F1538 PolarHBondContact O-N 3.01Å; A1536-F1538 VanDerWaalsContact O-N 3.07Å; F1538-I1541 HydrophobicContact CD1-CD1 4.35Å; F1538-K1542 PolarHBondContact O-N 2.92Å
1539M80.9Confident83.7Confident36 Ų3653 Ų5318%0.17729%0.29CS..Hα-helixtrans-62.4-48.9-177.4-80.9-64.3-60.500111.8M1533 A1534 P1535 A1536 I1541 K1542 D1543M1533-M1539 HydrophobicContact SD-CE 3.76Å; M1533-M1539 HydrophobicContact SD-SD 4.14Å; A1534-M1539 HydrophobicContact CB-CG 4.35Å; A1534-M1539 HydrophobicContact CB-SD 3.86Å; A1534-M1539 PolarHBondContact N-SD 3.45Å; A1534-M1539 VanDerWaalsContact N-SD 3.35Å; P1535-M1539 PolarHBondContact O-N 3.34Å; A1536-M1539 PolarHBondContact O-N 3.05Å; M1539-I1541 VanDerWaalsContact C-N 3.25Å; M1539-I1541 PolarHBondContact O-N 3.36Å; M1539-K1542 CarbonylContact O-C 3.48Å; M1539-K1542 WeakPolarHBondContact O-CA 3.36Å; M1539-K1542 WeakPolarHBondContact O-CB 3.31Å; M1539-K1542 PolarHBondContact O-N 3.45Å; M1539-D1543 PolarHBondContact O-N 3.24Å; M1539-D1543 VanDerWaalsContact O-OD1 3.09Å
1540D82.5Confident83.7Confident108 Ų10851.3 Ų51.358%0.57828%0.281SS*.Hα-helixtrans-58.1-37.6-175.7-47.3-15.8000112.3D1543 A1544D1540-D1543 PolarHBondContact O-N 3.18Å; D1540-A1544 PolarHBondContact O-N 2.99Å
1541I86.4Confident83.7Confident99 Ų9954 Ų5451%0.50828%0.284SS..Hα-helixtrans-64.4-41.3173.8-60.3173.8000110.7F1538 M1539 A1544 E1545F1538-I1541 HydrophobicContact CD1-CD1 4.35Å; M1539-I1541 VanDerWaalsContact C-N 3.25Å; M1539-I1541 PolarHBondContact O-N 3.36Å; I1541-A1544 PolarHBondContact O-N 3.44Å; I1541-E1545 WeakPolarHBondContact O-CG 3.49Å; I1541-E1545 PolarHBondContact O-N 2.97Å
1542K85.3Confident83.6Confident67 Ų6758.9 Ų58.929%0.29131%0.314SS..Hα-helixtrans-74.2-29.4177.8-67.6-42.9-169.9-176.10113.7K1532 A1534 F1538 M1539 E1545 L1546K1532-K1542 HydrophobicContact CB-CB 4.19Å; K1532-K1542 VanDerWaalsContact O-CB 3.27Å; K1532-K1542 WeakPolarHBondContact O-CB 3.3Å; A1534-K1542 HydrophobicContact CB-CG 3.86Å; F1538-K1542 PolarHBondContact O-N 2.92Å; M1539-K1542 CarbonylContact O-C 3.48Å; M1539-K1542 WeakPolarHBondContact O-CA 3.36Å; M1539-K1542 WeakPolarHBondContact O-CB 3.31Å; M1539-K1542 PolarHBondContact O-N 3.45Å; K1542-E1545 VanDerWaalsContact CD-CD 3.46Å; K1542-E1545 WeakPolarHBondContact CD-OE1 3.3Å; K1542-E1545 WeakPolarHBondContact CD-OE2 3.36Å; K1542-E1545 IonicContact NZ-OE1 2.9Å; K1542-E1545 PolarHBondContact NZ-OE1 2.74Å; K1542-E1545 IonicContact NZ-OE2 3.49Å; K1542-E1545 PolarHBondContact NZ-OE2 3.27Å; K1542-L1546 VanDerWaalsContact O-CB 3.22Å; K1542-L1546 WeakPolarHBondContact O-CB 3.33Å; K1542-L1546 PolarHBondContact O-N 3.32Å
1543D85.8Confident83.4Confident10 Ų1058.9 Ų58.95%0.05332%0.316CS..Hα-helixtrans-66.4-43.2168.6-79.659.7000110.6R1526 M1539 D1540 L1546 R1547 L1566R1526-D1543 IonicContact CZ-OD1 2.72Å; R1526-D1543 IonicContact CZ-OD2 3.69Å; R1526-D1543 IonicContact NH1-OD1 2.75Å; R1526-D1543 PolarHBondContact NH1-OD1 3.23Å; R1526-D1543 IonicContact NH1-OD2 3.14Å; R1526-D1543 PolarHBondContact NH1-OD2 2.81Å; R1526-D1543 IonicContact NH2-OD1 3.87Å; R1526-D1543 PolarHBondContact NH2-OD1 2.82Å; R1526-D1543 IonicContact NH2-OD2 3.26Å; M1539-D1543 PolarHBondContact O-N 3.24Å; M1539-D1543 VanDerWaalsContact O-OD1 3.09Å; D1540-D1543 PolarHBondContact O-N 3.18Å; D1543-L1546 PolarHBondContact O-N 3.46Å; D1543-R1547 VanDerWaalsContact O-CG 3.3Å; D1543-R1547 WeakPolarHBondContact O-CG 3.22Å; D1543-R1547 PolarHBondContact O-N 3.09Å; D1543-L1566 HydrophobicContact CB-CD2 4.18Å
1544A86Confident83.6Confident50 Ų5057.5 Ų57.541%0.41331%0.308SS..Hα-helixtrans-61-47.1172.700000112.7D1540 I1541 L1546 R1547 E1548D1540-A1544 PolarHBondContact O-N 2.99Å; I1541-A1544 PolarHBondContact O-N 3.44Å; A1544-L1546 VanDerWaalsContact C-N 3.3Å; A1544-L1546 PolarHBondContact O-N 3.02Å; A1544-R1547 WeakPolarHBondContact O-CB 3.43Å; A1544-R1547 PolarHBondContact O-N 2.89Å; A1544-E1548 PolarHBondContact O-N 3.29Å; A1544-E1548 VanDerWaalsContact O-N 3.15Å
1545E86.7Confident83.5Confident65 Ų6560.6 Ų60.630%0.30433%0.327SS..Hα-helixtrans-57.3-42173-76.2175.4-151.100112.3K1532 I1541 K1542 E1548 T1549K1532-E1545 HydrophobicContact CD-CB 3.9Å; I1541-E1545 WeakPolarHBondContact O-CG 3.49Å; I1541-E1545 PolarHBondContact O-N 2.97Å; K1542-E1545 VanDerWaalsContact CD-CD 3.46Å; K1542-E1545 WeakPolarHBondContact CD-OE1 3.3Å; K1542-E1545 WeakPolarHBondContact CD-OE2 3.36Å; K1542-E1545 IonicContact NZ-OE1 2.9Å; K1542-E1545 PolarHBondContact NZ-OE1 2.74Å; K1542-E1545 IonicContact NZ-OE2 3.49Å; K1542-E1545 PolarHBondContact NZ-OE2 3.27Å; E1545-E1548 PolarHBondContact O-N 3.31Å; E1545-T1549 PolarHBondContact O-N 2.94Å; E1545-T1549 PolarHBondContact O-OG1 2.89Å
1546L86.9Confident83.5Confident0 Ų063.9 Ų63.90%035%0.346CS..Hα-helixtrans-70.6-34.3179.9-173.753.1000111.7F1522 I1531 K1532 K1542 D1543 A1544 T1549 I1550 L1566F1522-L1546 HydrophobicContact CZ-CD2 4.26Å; I1531-L1546 HydrophobicContact CG2-CD1 4.15Å; I1531-L1546 HydrophobicContact CG2-CD2 4.45Å; K1532-L1546 HydrophobicContact CB-CB 4.46Å; K1532-L1546 HydrophobicContact CD-CB 4.22Å; K1542-L1546 VanDerWaalsContact O-CB 3.22Å; K1542-L1546 WeakPolarHBondContact O-CB 3.33Å; K1542-L1546 PolarHBondContact O-N 3.32Å; D1543-L1546 PolarHBondContact O-N 3.46Å; A1544-L1546 VanDerWaalsContact C-N 3.3Å; A1544-L1546 PolarHBondContact O-N 3.02Å; L1546-T1549 PolarHBondContact O-N 3.32Å; L1546-I1550 HydrophobicContact CD1-CD1 4.13Å; L1546-I1550 HydrophobicContact CD1-CG1 4.31Å; L1546-I1550 HydrophobicContact CG-CD1 4.01Å; L1546-I1550 WeakPolarHBondContact O-CB 3.33Å; L1546-I1550 VanDerWaalsContact O-CG1 3.31Å; L1546-I1550 WeakPolarHBondContact O-CG1 3.32Å; L1546-I1550 PolarHBondContact O-N 2.93Å; L1546-L1566 HydrophobicContact CB-CD2 4.22Å; L1546-L1566 HydrophobicContact CD2-CD2 4.19Å; L1546-L1566 HydrophobicContact CG-CD2 4.21Å
1547R88.6Confident83.7Confident32 Ų3263 Ų6312%0.12133%0.327CS..Hα-helixtrans-59.8-47.1171.2-72.5174.8-161.3-74.3-4.6111.7D1543 A1544 I1550 K1551 L1562 L1566 P1567 D1569D1543-R1547 VanDerWaalsContact O-CG 3.3Å; D1543-R1547 WeakPolarHBondContact O-CG 3.22Å; D1543-R1547 PolarHBondContact O-N 3.09Å; A1544-R1547 WeakPolarHBondContact O-CB 3.43Å; A1544-R1547 PolarHBondContact O-N 2.89Å; R1547-I1550 PolarHBondContact O-N 3.48Å; R1547-K1551 WeakPolarHBondContact O-CB 3.11Å; R1547-K1551 VanDerWaalsContact O-CG 3.27Å; R1547-K1551 WeakPolarHBondContact O-CG 3.37Å; R1547-K1551 PolarHBondContact O-N 3.37Å; R1547-L1562 HydrophobicContact CB-CD1 4.36Å; R1547-L1562 HydrophobicContact CB-CD2 4.22Å; R1547-L1562 HydrophobicContact CG-CD1 4.14Å; R1547-L1562 HydrophobicContact CG-CD2 4.24Å; R1547-L1562 HydrophobicContact CG-CG 4.36Å; R1547-L1566 HydrophobicContact CG-CD2 4.17Å; R1547-L1566 PolarHBondContact NH1-O 3.41Å; R1547-L1566 PolarHBondContact NH2-O 3.26Å; R1547-P1567 PolarHBondContact NH2-O 2.91Å; R1547-D1569 IonicContact NH2-OD1 2.66Å
1548E85.4Confident83.5Confident103 Ų10356.6 Ų56.648%0.48130%0.298SS..Hα-helixtrans-67.5-35.6177.6-63.2-46.3127.300112.4A1544 E1545 I1550 K1551 T1552A1544-E1548 PolarHBondContact O-N 3.29Å; A1544-E1548 VanDerWaalsContact O-N 3.15Å; E1545-E1548 PolarHBondContact O-N 3.31Å; E1548-I1550 VanDerWaalsContact C-N 3.34Å; E1548-I1550 PolarHBondContact O-N 3Å; E1548-K1551 PolarHBondContact O-N 3.12Å; E1548-K1551 WeakPolarHBondContact OE1-CD 3.46Å; E1548-K1551 WeakPolarHBondContact OE1-CE 3.39Å; E1548-K1551 IonicContact OE1-NZ 2.71Å; E1548-K1551 PolarHBondContact OE1-NZ 2.91Å; E1548-K1551 WeakPolarHBondContact OE2-CD 3.22Å; E1548-K1551 IonicContact OE2-NZ 3.84Å; E1548-T1552 WeakPolarHBondContact O-CB 3.48Å; E1548-T1552 WeakPolarHBondContact O-CG2 3.44Å; E1548-T1552 PolarHBondContact O-N 2.89Å; E1548-T1552 PolarHBondContact O-OG1 3.36Å
1549T85.2Confident83Confident12 Ų1261.2 Ų61.27%0.07432%0.318CS..Hα-helixtrans-64.7-38.3174.2-43.30000111.5L1148 K1532 E1545 L1546 T1552 L1553L1148-T1549 HydrophobicContact CD1-CG2 4.28Å; K1532-T1549 PolarHBondContact NZ-OG1 3.46Å; E1545-T1549 PolarHBondContact O-N 2.94Å; E1545-T1549 PolarHBondContact O-OG1 2.89Å; L1546-T1549 PolarHBondContact O-N 3.32Å; T1549-T1552 WeakPolarHBondContact CA-OG1 3.45Å; T1549-T1552 PolarHBondContact O-OG1 3.47Å; T1549-L1553 HydrophobicContact CG2-CD1 3.96Å; T1549-L1553 HydrophobicContact CG2-CG 4.5Å; T1549-L1553 WeakPolarHBondContact O-CB 3.49Å; T1549-L1553 VanDerWaalsContact O-CG 3.31Å; T1549-L1553 WeakPolarHBondContact O-CG 3.43Å; T1549-L1553 PolarHBondContact O-N 3.15Å
1550I85.7Confident82.8Confident1 Ų169 Ų691%0.00535%0.346CS..Hα-helixtrans-73.1-37.5176.4-69.1166.7000111.6F1522 L1546 R1547 E1548 T1552 W1554 A1558 L1562 L1566F1522-I1550 HydrophobicContact CE2-CD1 4.5Å; F1522-I1550 HydrophobicContact CZ-CD1 4.15Å; L1546-I1550 HydrophobicContact CD1-CD1 4.13Å; L1546-I1550 HydrophobicContact CD1-CG1 4.31Å; L1546-I1550 HydrophobicContact CG-CD1 4.01Å; L1546-I1550 WeakPolarHBondContact O-CB 3.33Å; L1546-I1550 VanDerWaalsContact O-CG1 3.31Å; L1546-I1550 WeakPolarHBondContact O-CG1 3.32Å; L1546-I1550 PolarHBondContact O-N 2.93Å; R1547-I1550 PolarHBondContact O-N 3.48Å; E1548-I1550 VanDerWaalsContact C-N 3.34Å; E1548-I1550 PolarHBondContact O-N 3Å; I1550-T1552 VanDerWaalsContact C-N 3.34Å; I1550-T1552 PolarHBondContact O-N 3.24Å; I1550-W1554 HydrophobicContact CG1-CE3 4.47Å; I1550-W1554 HydrophobicContact CG1-CZ3 4.36Å; I1550-W1554 HydrophobicContact CG2-CE3 4.34Å; I1550-W1554 PolarHBondContact O-N 3.25Å; I1550-A1558 HydrophobicContact CG2-CB 4.15Å; I1550-L1562 HydrophobicContact CB-CD1 4.05Å; I1550-L1562 HydrophobicContact CD1-CD1 4.34Å; I1550-L1562 HydrophobicContact CG2-CD1 3.79Å; I1550-L1566 HydrophobicContact CD1-CD1 3.63Å
1551K84.9Confident82.4Confident88 Ų8864.8 Ų64.838%0.38333%0.325SS..Hα-helixtrans-62.7-38.4174.3-74.7166.9-178.7176.30112.5R1547 E1548 P1555 A1558 L1562R1547-K1551 WeakPolarHBondContact O-CB 3.11Å; R1547-K1551 VanDerWaalsContact O-CG 3.27Å; R1547-K1551 WeakPolarHBondContact O-CG 3.37Å; R1547-K1551 PolarHBondContact O-N 3.37Å; E1548-K1551 PolarHBondContact O-N 3.12Å; E1548-K1551 WeakPolarHBondContact OE1-CD 3.46Å; E1548-K1551 WeakPolarHBondContact OE1-CE 3.39Å; E1548-K1551 IonicContact OE1-NZ 2.71Å; E1548-K1551 PolarHBondContact OE1-NZ 2.91Å; E1548-K1551 WeakPolarHBondContact OE2-CD 3.22Å; E1548-K1551 IonicContact OE2-NZ 3.84Å; K1551-P1555 WeakPolarHBondContact O-CA 3.25Å; K1551-P1555 WeakPolarHBondContact O-CB 3.39Å; K1551-A1558 HydrophobicContact CG-CB 4.35Å; K1551-L1562 HydrophobicContact CD-CD2 4.42Å; K1551-L1562 HydrophobicContact CG-CD2 4.08Å
1552T83.7Confident82.2Confident107 Ų10760.6 Ų60.666%0.65630%0.304SS*.Hα-helixtrans-76.8-42.2179.446.20000112.4E1548 T1549 I1550E1548-T1552 WeakPolarHBondContact O-CB 3.48Å; E1548-T1552 WeakPolarHBondContact O-CG2 3.44Å; E1548-T1552 PolarHBondContact O-N 2.89Å; E1548-T1552 PolarHBondContact O-OG1 3.36Å; T1549-T1552 WeakPolarHBondContact CA-OG1 3.45Å; T1549-T1552 PolarHBondContact O-OG1 3.47Å; I1550-T1552 VanDerWaalsContact C-N 3.34Å; I1550-T1552 PolarHBondContact O-N 3.24Å
1553L80.4Confident82Confident41 Ų4162.8 Ų62.822%0.21532%0.318CS..Hα-helixtrans-75.1-36.7179-70.1174.7000114.1L1148 T1549L1148-L1553 HydrophobicContact CB-CD1 4.48Å; L1148-L1553 HydrophobicContact CD2-CD1 4.44Å; T1549-L1553 HydrophobicContact CG2-CD1 3.96Å; T1549-L1553 HydrophobicContact CG2-CG 4.5Å; T1549-L1553 WeakPolarHBondContact O-CB 3.49Å; T1549-L1553 VanDerWaalsContact O-CG 3.31Å; T1549-L1553 WeakPolarHBondContact O-CG 3.43Å; T1549-L1553 PolarHBondContact O-N 3.15Å
1554W85.2Confident81.9Confident12 Ų1265.8 Ų65.85%0.04533%0.334CS..  trans-136.162.6-175.2-60.2-80.4000112.9K1153 I1156 E1157 I1160 I1550 V1556 Q1557 A1558K1153-W1554 HydrophobicContact CG-CH2 3.96Å; K1153-W1554 HydrophobicContact CG-CZ2 3.75Å; K1153-W1554 WeakPolarHBondContact O-CZ2 3.4Å; I1156-W1554 HydrophobicContact CB-CH2 3.99Å; I1156-W1554 HydrophobicContact CB-CZ3 4.38Å; I1156-W1554 HydrophobicContact CG2-CE3 4.37Å; I1156-W1554 HydrophobicContact CG2-CH2 3.62Å; I1156-W1554 HydrophobicContact CG2-CZ2 4.46Å; I1156-W1554 HydrophobicContact CG2-CZ3 3.57Å; E1157-W1554 HydrophobicContact CB-CZ2 3.93Å; E1157-W1554 PolarHBondContact OE2-NE1 3.01Å; I1160-W1554 HydrophobicContact CD1-CD2 4.13Å; I1160-W1554 HydrophobicContact CD1-CE3 4.11Å; I1160-W1554 HydrophobicContact CD1-CZ3 4.5Å; I1550-W1554 HydrophobicContact CG1-CE3 4.47Å; I1550-W1554 HydrophobicContact CG1-CZ3 4.36Å; I1550-W1554 HydrophobicContact CG2-CE3 4.34Å; I1550-W1554 PolarHBondContact O-N 3.25Å; W1554-V1556 PolarHBondContact O-N 2.9Å; W1554-V1556 VanDerWaalsContact O-N 3.1Å; W1554-Q1557 HydrophobicContact CB-CB 4.12Å; W1554-Q1557 PolarHBondContact O-N 3.44Å; W1554-Q1557 VanDerWaalsContact O-N 3.16Å; W1554-A1558 VanDerWaalsContact O-CB 3.27Å; W1554-A1558 WeakPolarHBondContact O-CB 3.26Å; W1554-A1558 PolarHBondContact O-N 2.89Å
1555P80.3Confident81.8Confident84 Ų8463.7 Ų63.755%0.54532%0.316SS..Hα-helixtrans-58-31.1-17220.6-33.3000114.6K1551K1551-P1555 WeakPolarHBondContact O-CA 3.25Å; K1551-P1555 WeakPolarHBondContact O-CB 3.39Å
1556V79Confident81.6Confident100 Ų10060.7 Ų60.761%0.60630%0.302SS*.Hα-helixtrans-76.9-41.6179.9-178.50000111.8W1554W1554-V1556 PolarHBondContact O-N 2.9Å; W1554-V1556 VanDerWaalsContact O-N 3.1Å
1557Q75.5Confident81.3Confident68 Ų6860.9 Ų60.932%0.31830%0.303SS..Hα-helixtrans-76.1-40.8-179.8-64.678.9-9.600111I1160 W1554 K1559 R1560 S1561I1160-Q1557 HydrophobicContact CG2-CB 3.97Å; I1160-Q1557 HydrophobicContact CG2-CG 4.04Å; W1554-Q1557 HydrophobicContact CB-CB 4.12Å; W1554-Q1557 PolarHBondContact O-N 3.44Å; W1554-Q1557 VanDerWaalsContact O-N 3.16Å; Q1557-K1559 VanDerWaalsContact C-N 3.31Å; Q1557-K1559 PolarHBondContact O-N 2.77Å; Q1557-R1560 PolarHBondContact O-N 3.32Å; Q1557-S1561 PolarHBondContact O-N 2.85Å; Q1557-S1561 PolarHBondContact O-OG 3.13Å
1558A74.4Confident80.7Confident8 Ų861.8 Ų61.87%0.06631%0.313CS..Hα-helixtrans-53.1-47.8177.400000111.2I1550 K1551 W1554 R1560 S1561 L1562I1550-A1558 HydrophobicContact CG2-CB 4.15Å; K1551-A1558 HydrophobicContact CG-CB 4.35Å; W1554-A1558 VanDerWaalsContact O-CB 3.27Å; W1554-A1558 WeakPolarHBondContact O-CB 3.26Å; W1554-A1558 PolarHBondContact O-N 2.89Å; A1558-R1560 PolarHBondContact O-N 3.01Å; A1558-S1561 PolarHBondContact O-N 3.04Å; A1558-L1562 HydrophobicContact CB-CB 4.44Å; A1558-L1562 WeakPolarHBondContact O-CB 3.24Å; A1558-L1562 PolarHBondContact O-N 2.69Å
1559K74.6Confident80Confident194 Ų19460.9 Ų60.984%0.84331%0.312SS*.Hα-helixtrans-60.8-8.6177.5-170.2166.6-178.3175.60115Q1557Q1557-K1559 VanDerWaalsContact C-N 3.31Å; Q1557-K1559 PolarHBondContact O-N 2.77Å
1560R75.9Confident79.2Confident199 Ų19964 Ų6475%0.75133%0.334SS*.Hα-helixtrans-120-17.4178.1-66.6-177.1176.4176.90.3114.9Q1557 A1558Q1557-R1560 PolarHBondContact O-N 3.32Å; A1558-R1560 PolarHBondContact O-N 3.01Å
1561S74.7Confident78.4Confident21 Ų2166.6 Ų66.615%0.14735%0.346CS..Hα-helixtrans-140-8.2-167.459.80000115.1Q1557 A1558 D1563 L1564 L1565Q1557-S1561 PolarHBondContact O-N 2.85Å; Q1557-S1561 PolarHBondContact O-OG 3.13Å; A1558-S1561 PolarHBondContact O-N 3.04Å; S1561-D1563 VanDerWaalsContact C-N 3.33Å; S1561-D1563 PolarHBondContact O-N 3.43Å; S1561-L1564 WeakPolarHBondContact O-CA 3Å; S1561-L1564 WeakPolarHBondContact O-CB 3.03Å; S1561-L1564 PolarHBondContact O-N 2.69Å; S1561-L1565 VanDerWaalsContact O-CD1 3.32Å; S1561-L1565 WeakPolarHBondContact O-CD1 3.42Å; S1561-L1565 VanDerWaalsContact O-CG 3.3Å; S1561-L1565 WeakPolarHBondContact O-CG 3.18Å; S1561-L1565 PolarHBondContact O-N 3.07Å
1562L82.9Confident77.7Confident11 Ų1165.5 Ų65.56%0.05834%0.34CS..Hα-helixtrans-56.7-46.5-176.9-176.264.6000112R1547 I1550 K1551 A1558 L1564 L1565 L1566R1547-L1562 HydrophobicContact CB-CD1 4.36Å; R1547-L1562 HydrophobicContact CB-CD2 4.22Å; R1547-L1562 HydrophobicContact CG-CD1 4.14Å; R1547-L1562 HydrophobicContact CG-CD2 4.24Å; R1547-L1562 HydrophobicContact CG-CG 4.36Å; I1550-L1562 HydrophobicContact CB-CD1 4.05Å; I1550-L1562 HydrophobicContact CD1-CD1 4.34Å; I1550-L1562 HydrophobicContact CG2-CD1 3.79Å; K1551-L1562 HydrophobicContact CD-CD2 4.42Å; K1551-L1562 HydrophobicContact CG-CD2 4.08Å; A1558-L1562 HydrophobicContact CB-CB 4.44Å; A1558-L1562 WeakPolarHBondContact O-CB 3.24Å; A1558-L1562 PolarHBondContact O-N 2.69Å; L1562-L1564 PolarHBondContact O-N 2.94Å; L1562-L1565 PolarHBondContact O-N 2.79Å; L1562-L1565 VanDerWaalsContact O-N 3.17Å; L1562-L1566 HydrophobicContact CD1-CD1 4.25Å; L1562-L1566 PolarHBondContact O-N 3.29Å
1563D81.1Confident76.8Confident112 Ų11264 Ų6460%0.59933%0.331SS*.Hα-helixtrans-72.3-12.1-178.8-44.7-38.9000113S1561 P1567S1561-D1563 VanDerWaalsContact C-N 3.33Å; S1561-D1563 PolarHBondContact O-N 3.43Å; D1563-P1567 WeakPolarHBondContact O-CA 3.44Å
1564L83.3Confident75.8Confident73 Ų7372.1 Ų72.138%0.38237%0.365SS..Hα-helixtrans-95.5-19.5174.6-175.262.5000112.6T1519 S1561 L1562T1519-L1564 HydrophobicContact CG2-CD1 4.41Å; T1519-L1564 WeakPolarHBondContact CG2-O 3.42Å; S1561-L1564 WeakPolarHBondContact O-CA 3Å; S1561-L1564 WeakPolarHBondContact O-CB 3.03Å; S1561-L1564 PolarHBondContact O-N 2.69Å; L1562-L1564 PolarHBondContact O-N 2.94Å
1565L83.2Confident74.8Confident7 Ų777.6 Ų77.64%0.03740%0.4CS..Hα-helixtrans-92.5-45.1176.2-65.2154.1000109.9I1160 T1518 F1522 S1561 L1562I1160-L1565 HydrophobicContact CD1-CD1 4.34Å; I1160-L1565 HydrophobicContact CG1-CD1 3.7Å; I1160-L1565 HydrophobicContact CG1-CD2 4.12Å; T1518-L1565 HydrophobicContact CG2-CD2 3.72Å; T1518-L1565 HydrophobicContact CG2-CG 4.47Å; F1522-L1565 HydrophobicContact CB-CD2 4.04Å; F1522-L1565 HydrophobicContact CD1-CB 4.27Å; F1522-L1565 WeakPolarHBondContact CD1-O 3.49Å; F1522-L1565 HydrophobicContact CD2-CB 4.38Å; F1522-L1565 HydrophobicContact CD2-CD2 3.74Å; F1522-L1565 HydrophobicContact CE1-CB 4.43Å; F1522-L1565 HydrophobicContact CE2-CD2 4.41Å; F1522-L1565 HydrophobicContact CG-CB 4.24Å; F1522-L1565 HydrophobicContact CG-CD2 3.94Å; S1561-L1565 VanDerWaalsContact O-CD1 3.32Å; S1561-L1565 WeakPolarHBondContact O-CD1 3.42Å; S1561-L1565 VanDerWaalsContact O-CG 3.3Å; S1561-L1565 WeakPolarHBondContact O-CG 3.18Å; S1561-L1565 PolarHBondContact O-N 3.07Å; L1562-L1565 PolarHBondContact O-N 2.79Å; L1562-L1565 VanDerWaalsContact O-N 3.17Å
1566L83.7Confident74.3Confident2 Ų279.3 Ų79.31%0.0140%0.395CS..SBendtrans-120.694.3171.3-65.888.6000108F1522 D1543 L1546 R1547 I1550 L1562F1522-L1566 HydrophobicContact CE1-CD1 3.59Å; F1522-L1566 HydrophobicContact CE1-CG 3.95Å; F1522-L1566 HydrophobicContact CZ-CD1 3.69Å; F1522-L1566 HydrophobicContact CZ-CG 4.48Å; D1543-L1566 HydrophobicContact CB-CD2 4.18Å; L1546-L1566 HydrophobicContact CB-CD2 4.22Å; L1546-L1566 HydrophobicContact CD2-CD2 4.19Å; L1546-L1566 HydrophobicContact CG-CD2 4.21Å; R1547-L1566 HydrophobicContact CG-CD2 4.17Å; R1547-L1566 PolarHBondContact NH1-O 3.41Å; R1547-L1566 PolarHBondContact NH2-O 3.26Å; I1550-L1566 HydrophobicContact CD1-CD1 3.63Å; L1562-L1566 HydrophobicContact CD1-CD1 4.25Å; L1562-L1566 PolarHBondContact O-N 3.29Å
1567P79.3Confident74.2Confident4 Ų478.1 Ų78.13%0.02639%0.385CS..  trans-47.4141.3168.4-27.932.6000111.9P1508 R1547 D1563 E1571 Y1572P1508-P1567 HydrophobicContact CG-CG 3.82Å; R1547-P1567 PolarHBondContact NH2-O 2.91Å; D1563-P1567 WeakPolarHBondContact O-CA 3.44Å; P1567-E1571 HydrophobicContact CB-CB 4.17Å; P1567-E1571 HydrophobicContact CB-CG 4.37Å; P1567-Y1572 HydrophobicContact CB-CE1 4.33Å; P1567-Y1572 HydrophobicContact CB-CE2 4.46Å; P1567-Y1572 WeakPolarHBondContact CD-OH 3.16Å
1568P75.4Confident74.6Confident51 Ų5174.9 Ų74.933%0.33137%0.37SS..  trans-67.8153.7174.229.7-34.6000110.8S1570 E1571P1568-S1570 PolarHBondContact O-N 3.28Å; P1568-E1571 HydrophobicContact CG-CG 4.25Å; P1568-E1571 PolarHBondContact O-N 2.79Å
1569D70.8Confident75.2Confident84 Ų8474.5 Ų74.545%0.44937%0.367SS..G310 helixtrans-60.7-23.1-166.8-39.6-27.3000113.2R1547 E1571 Y1572 T1573R1547-D1569 IonicContact NH2-OD1 2.66Å; D1569-E1571 PolarHBondContact O-N 3.05Å; D1569-Y1572 PolarHBondContact O-N 3.48Å; D1569-T1573 PolarHBondContact O-N 3.4Å
1570S69.4Low75.6Confident78 Ų7865.4 Ų65.455%0.54533%0.328SS..G310 helixtrans-59.6-19.817054.50000115.2P1568 T1573P1568-S1570 PolarHBondContact O-N 3.28Å; S1570-T1573 PolarHBondContact O-OG1 3.43Å
1571E69.7Low76.1Confident54 Ų5459.4 Ų59.425%0.25231%0.307SS..G310 helixtrans-84.5-15.1173.4-57-143.6140.100112.8P1567 P1568 D1569 R1576P1567-E1571 HydrophobicContact CB-CB 4.17Å; P1567-E1571 HydrophobicContact CB-CG 4.37Å; P1568-E1571 HydrophobicContact CG-CG 4.25Å; P1568-E1571 PolarHBondContact O-N 2.79Å; D1569-E1571 PolarHBondContact O-N 3.05Å; E1571-R1576 IonicContact OE1-CZ 2.77Å; E1571-R1576 IonicContact OE1-NH1 2.94Å; E1571-R1576 PolarHBondContact OE1-NH1 2.99Å; E1571-R1576 IonicContact OE1-NH2 3.52Å; E1571-R1576 IonicContact OE2-NH1 2.75Å
1572Y68.9Low76.7Confident65 Ų6559.8 Ų59.826%0.25531%0.307SS..THydrogen-bonded Turntrans-97.1-19.3179.4-56.6-48.9000113.7N1506 P1567 D1569 T1578 K1581N1506-Y1572 WeakPolarHBondContact O-CE1 3.35Å; P1567-Y1572 HydrophobicContact CB-CE1 4.33Å; P1567-Y1572 HydrophobicContact CB-CE2 4.46Å; P1567-Y1572 WeakPolarHBondContact CD-OH 3.16Å; D1569-Y1572 PolarHBondContact O-N 3.48Å; Y1572-T1578 HydrophobicContact CD1-CG2 4.33Å; Y1572-K1581 PolarHBondContact O-NZ 2.89Å
1573T65Low76.8Confident76 Ų7659.7 Ų59.747%0.46631%0.306SS..SBendtrans-65.7178.8-179.146.60000113.7D1569 S1570 T1575 R1576 K1581D1569-T1573 PolarHBondContact O-N 3.4Å; S1570-T1573 PolarHBondContact O-OG1 3.43Å; T1573-T1575 PolarHBondContact O-N 2.99Å; T1573-R1576 PolarHBondContact O-N 3.45Å; T1573-K1581 PolarHBondContact O-NZ 2.72Å; T1573-K1581 VanDerWaalsContact O-NZ 3.1Å
1574F59.3Low77Confident212 Ų21255.6 Ų55.693%0.9329%0.288SS*.THydrogen-bonded Turntrans-57-23.9-163.1-84.2-88.6000116.4
1575T65.4Low77.2Confident127 Ų12754 Ų5478%0.77929%0.29SS*.THydrogen-bonded Turntrans-82.2-10.5-173.451.50000115T1573T1573-T1575 PolarHBondContact O-N 2.99Å
1576R68.2Low77.2Confident120 Ų12056.7 Ų56.745%0.45330%0.303SS..SBendtrans-125140.9179.9-69.1-168.2-177.9174.57.5113.6E1571 T1573 K1581E1571-R1576 IonicContact OE1-CZ 2.77Å; E1571-R1576 IonicContact OE1-NH1 2.94Å; E1571-R1576 PolarHBondContact OE1-NH1 2.99Å; E1571-R1576 IonicContact OE1-NH2 3.52Å; E1571-R1576 IonicContact OE2-NH1 2.75Å; T1573-R1576 PolarHBondContact O-N 3.45Å; R1576-K1581 PolarHBondContact O-NZ 3.44Å
1577L77.6Confident77.2Confident74 Ų7458.3 Ų58.339%0.38731%0.312SS..  trans-82.5138.7174.6-16364000109.7L1509 K1581 I1582 L1621L1509-L1577 HydrophobicContact CD1-CG 4.43Å; L1577-K1581 HydrophobicContact CD1-CB 3.86Å; L1577-I1582 HydrophobicContact CD1-CG1 4.23Å; L1577-I1582 HydrophobicContact CD2-CD1 3.84Å; L1577-I1582 HydrophobicContact CD2-CG1 3.69Å; L1577-I1582 HydrophobicContact CG-CD1 4.25Å; L1577-I1582 HydrophobicContact CG-CG1 3.81Å; L1577-L1621 HydrophobicContact CD2-CD2 3.89Å
1578T84.7Confident77.5Confident1 Ų163.6 Ų63.61%0.00634%0.339CS..BIsolated β-bridgetrans-116.9160.317470.70000109.4M1507 Y1572 G1580 K1581 I1582M1507-T1578 WeakPolarHBondContact O-CA 3.4Å; M1507-T1578 WeakPolarHBondContact O-CB 3.36Å; Y1572-T1578 HydrophobicContact CD1-CG2 4.33Å; T1578-G1580 PolarHBondContact O-N 3.36Å; T1578-G1580 PolarHBondContact OG1-N 3.39Å; T1578-K1581 HydrophobicContact CG2-CD 4.33Å; T1578-K1581 PolarHBondContact O-N 2.87Å; T1578-K1581 WeakPolarHBondContact OG1-CG 3.44Å; T1578-K1581 PolarHBondContact OG1-N 2.83Å; T1578-K1581 VanDerWaalsContact OG1-N 3.14Å; T1578-I1582 PolarHBondContact O-N 2.89Å; T1578-I1582 VanDerWaalsContact O-N 3.15Å
1579V85.2Confident77.8Confident0 Ų063.9 Ų63.90%033%0.334CS..Hα-helixtrans-54.8-39.2173.9178.40000110.7M1476 L1502 M1507 L1509 V1515 I1582 Y1583M1476-V1579 HydrophobicContact CE-CG1 4.1Å; L1502-V1579 HydrophobicContact CB-CG1 4.49Å; L1502-V1579 HydrophobicContact CD2-CG1 4.32Å; M1507-V1579 HydrophobicContact CB-CB 4.31Å; M1507-V1579 HydrophobicContact CB-CG2 4.04Å; M1507-V1579 HydrophobicContact CE-CB 4.25Å; M1507-V1579 HydrophobicContact CE-CG1 4.01Å; M1507-V1579 HydrophobicContact CE-CG2 4.42Å; M1507-V1579 PolarHBondContact O-N 3.36Å; L1509-V1579 HydrophobicContact CD1-CG2 4.4Å; L1509-V1579 HydrophobicContact CD2-CG2 3.87Å; L1509-V1579 HydrophobicContact CG-CG2 4.04Å; V1515-V1579 HydrophobicContact CG1-CG2 3.69Å; V1579-I1582 PolarHBondContact O-N 3.45Å; V1579-Y1583 HydrophobicContact CG1-CD2 3.76Å; V1579-Y1583 HydrophobicContact CG1-CE2 3.83Å; V1579-Y1583 WeakPolarHBondContact O-CD2 3.24Å; V1579-Y1583 PolarHBondContact O-N 2.88Å
1580G83.5Confident77.9Confident2 Ų261.9 Ų61.92%0.02132%0.322CS..Hα-helixtrans-61.3-44.8175.200000113.1T1578 I1582 Y1583 A1584T1578-G1580 PolarHBondContact O-N 3.36Å; T1578-G1580 PolarHBondContact OG1-N 3.39Å; G1580-I1582 PolarHBondContact O-N 2.95Å; G1580-Y1583 PolarHBondContact O-N 3.19Å; G1580-A1584 WeakPolarHBondContact O-CB 3.22Å; G1580-A1584 PolarHBondContact O-N 2.81Å
1581K86.6Confident78.2Confident74 Ų7461.2 Ų61.232%0.32231%0.312SS..Hα-helixtrans-61.1-40.3177.2-69172.5-168.7178.50112.1Y1572 T1573 R1576 L1577 T1578 G1585Y1572-K1581 PolarHBondContact O-NZ 2.89Å; T1573-K1581 PolarHBondContact O-NZ 2.72Å; T1573-K1581 VanDerWaalsContact O-NZ 3.1Å; R1576-K1581 PolarHBondContact O-NZ 3.44Å; L1577-K1581 HydrophobicContact CD1-CB 3.86Å; T1578-K1581 HydrophobicContact CG2-CD 4.33Å; T1578-K1581 PolarHBondContact O-N 2.87Å; T1578-K1581 WeakPolarHBondContact OG1-CG 3.44Å; T1578-K1581 PolarHBondContact OG1-N 2.83Å; T1578-K1581 VanDerWaalsContact OG1-N 3.14Å; K1581-G1585 PolarHBondContact O-N 2.87Å
1582I86.5Confident78.7Confident28 Ų2865.3 Ų65.314%0.14433%0.325CS..Hα-helixtrans-62.1-56.6177-63.4179.2000111.2Y1473 L1509 L1577 T1578 V1579 G1580 A1584 G1585 L1586Y1473-I1582 HydrophobicContact CD2-CD1 4.28Å; Y1473-I1582 HydrophobicContact CE2-CD1 4.21Å; Y1473-I1582 HydrophobicContact CE2-CG2 4.22Å; Y1473-I1582 HydrophobicContact CG-CD1 4.5Å; L1509-I1582 HydrophobicContact CD1-CD1 3.53Å; L1509-I1582 HydrophobicContact CD1-CG1 4.38Å; L1577-I1582 HydrophobicContact CD1-CG1 4.23Å; L1577-I1582 HydrophobicContact CD2-CD1 3.84Å; L1577-I1582 HydrophobicContact CD2-CG1 3.69Å; L1577-I1582 HydrophobicContact CG-CD1 4.25Å; L1577-I1582 HydrophobicContact CG-CG1 3.81Å; T1578-I1582 PolarHBondContact O-N 2.89Å; T1578-I1582 VanDerWaalsContact O-N 3.15Å; V1579-I1582 PolarHBondContact O-N 3.45Å; G1580-I1582 PolarHBondContact O-N 2.95Å; I1582-A1584 VanDerWaalsContact C-N 3.31Å; I1582-A1584 PolarHBondContact O-N 2.9Å; I1582-G1585 PolarHBondContact O-N 2.92Å; I1582-G1585 VanDerWaalsContact O-N 3.11Å; I1582-L1586 HydrophobicContact CG2-CD1 4.34Å; I1582-L1586 PolarHBondContact O-N 3.34Å; I1582-L1586 VanDerWaalsContact O-N 3.08Å
1583Y86.9Confident79Confident10 Ų1066.5 Ų66.54%0.03933%0.333CS..Hα-helixtrans-72-24-175.8-71.3-71.5000113Y1473 Y1477 Y1499 L1502 V1579 G1580 L1586 L1587Y1473-Y1583 HydrophobicContact CD2-CE2 4.45Å; Y1477-Y1583 WeakPolarHBondContact CB-OH 3.38Å; Y1499-Y1583 AromaticContact CD1-CD1 3.42Å; Y1499-Y1583 HydrophobicContact CD1-CD1 3.42Å; Y1499-Y1583 VanDerWaalsContact CD1-CD1 3.42Å; Y1499-Y1583 HydrophobicContact CD1-CE1 4Å; Y1499-Y1583 HydrophobicContact CD1-CG 4.03Å; Y1499-Y1583 HydrophobicContact CD2-CD1 4.45Å; Y1499-Y1583 AromaticContact CE1-CD1 3.3Å; Y1499-Y1583 HydrophobicContact CE1-CD1 3.3Å; Y1499-Y1583 AromaticContact CE1-CE1 3.49Å; Y1499-Y1583 HydrophobicContact CE1-CE1 3.49Å; Y1499-Y1583 VanDerWaalsContact CE1-CE1 3.49Å; Y1499-Y1583 HydrophobicContact CE1-CG 4.32Å; Y1499-Y1583 HydrophobicContact CE2-CD1 4.36Å; Y1499-Y1583 HydrophobicContact CG-CD1 4.02Å; Y1499-Y1583 HydrophobicContact CG-CG 4.46Å; Y1499-Y1583 AromaticContact CZ-CD1 3.81Å; L1502-Y1583 HydrophobicContact CB-CD2 4.39Å; L1502-Y1583 HydrophobicContact CD1-CD2 3.73Å; L1502-Y1583 HydrophobicContact CD1-CE2 3.82Å; L1502-Y1583 HydrophobicContact CD1-CG 4.19Å; V1579-Y1583 HydrophobicContact CG1-CD2 3.76Å; V1579-Y1583 HydrophobicContact CG1-CE2 3.83Å; V1579-Y1583 WeakPolarHBondContact O-CD2 3.24Å; V1579-Y1583 PolarHBondContact O-N 2.88Å; G1580-Y1583 PolarHBondContact O-N 3.19Å; Y1583-L1586 HydrophobicContact CD1-CD1 3.77Å; Y1583-L1586 HydrophobicContact CE1-CD1 4Å; Y1583-L1587 VanDerWaalsContact O-CB 3.26Å; Y1583-L1587 WeakPolarHBondContact O-CB 3.48Å; Y1583-L1587 PolarHBondContact O-N 2.99Å
1584A85.4Confident79.1Confident26 Ų2667.3 Ų67.322%0.21533%0.333CS..Hα-helixtrans-64.1-45.3165.900000111.9I1503 G1580 I1582 L1586 L1587 I1588I1503-A1584 HydrophobicContact CD1-CB 3.93Å; I1503-A1584 HydrophobicContact CG1-CB 4.09Å; G1580-A1584 WeakPolarHBondContact O-CB 3.22Å; G1580-A1584 PolarHBondContact O-N 2.81Å; I1582-A1584 VanDerWaalsContact C-N 3.31Å; I1582-A1584 PolarHBondContact O-N 2.9Å; A1584-L1586 PolarHBondContact O-N 3.41Å; A1584-L1587 PolarHBondContact O-N 3.06Å; A1584-I1588 WeakPolarHBondContact O-CB 3.31Å; A1584-I1588 VanDerWaalsContact O-CG1 3.25Å; A1584-I1588 WeakPolarHBondContact O-CG1 3.39Å; A1584-I1588 PolarHBondContact O-N 3.49Å
1585G85.7Confident79.6Confident40 Ų4063.1 Ų63.141%0.41232%0.32SS..Hα-helixtrans-58.4-45.7175.900000112.6K1581 I1582 I1588 Y1589K1581-G1585 PolarHBondContact O-N 2.87Å; I1582-G1585 PolarHBondContact O-N 2.92Å; I1582-G1585 VanDerWaalsContact O-N 3.11Å; G1585-I1588 PolarHBondContact O-N 3.11Å; G1585-Y1589 WeakPolarHBondContact O-CB 3.49Å; G1585-Y1589 PolarHBondContact O-N 2.92Å
1586L84.1Confident79.6Confident62 Ų6261.5 Ų61.533%0.32530%0.302SS..Hα-helixtrans-61-46.3174.7-68.5171.1000112.2I1582 Y1583 A1584 I1588 Y1589 E1590I1582-L1586 HydrophobicContact CG2-CD1 4.34Å; I1582-L1586 PolarHBondContact O-N 3.34Å; I1582-L1586 VanDerWaalsContact O-N 3.08Å; Y1583-L1586 HydrophobicContact CD1-CD1 3.77Å; Y1583-L1586 HydrophobicContact CE1-CD1 4Å; A1584-L1586 PolarHBondContact O-N 3.41Å; L1586-I1588 PolarHBondContact O-N 2.73Å; L1586-Y1589 PolarHBondContact O-N 3.15Å; L1586-E1590 WeakPolarHBondContact O-CG 3.39Å; L1586-E1590 PolarHBondContact O-N 3.38Å
1587L82.9Confident79.1Confident37 Ų3758.9 Ų58.919%0.19430%0.302CS..Hα-helixtrans-67.5-33.6-180-175.3147.2000112.8Y1499 Y1583 A1584 N1591Y1499-L1587 HydrophobicContact CD2-CB 4.48Å; Y1583-L1587 VanDerWaalsContact O-CB 3.26Å; Y1583-L1587 WeakPolarHBondContact O-CB 3.48Å; Y1583-L1587 PolarHBondContact O-N 2.99Å; A1584-L1587 PolarHBondContact O-N 3.06Å; L1587-N1591 WeakPolarHBondContact CD2-ND2 3.43Å; L1587-N1591 WeakPolarHBondContact O-CB 3.33Å; L1587-N1591 PolarHBondContact O-N 3.39Å; L1587-N1591 VanDerWaalsContact O-N 3.14Å; L1587-N1591 PolarHBondContact O-ND2 3.5Å
1588I85.5Confident77.8Confident115 Ų11560.2 Ų60.259%0.5931%0.313SS*.Hα-helixtrans-67.5-45.4172-70.3164.6000110.1A1584 G1585 L1586 E1590 N1591 W1592A1584-I1588 WeakPolarHBondContact O-CB 3.31Å; A1584-I1588 VanDerWaalsContact O-CG1 3.25Å; A1584-I1588 WeakPolarHBondContact O-CG1 3.39Å; A1584-I1588 PolarHBondContact O-N 3.49Å; G1585-I1588 PolarHBondContact O-N 3.11Å; L1586-I1588 PolarHBondContact O-N 2.73Å; I1588-E1590 PolarHBondContact O-N 3.13Å; I1588-N1591 PolarHBondContact O-N 3.35Å; I1588-W1592 WeakPolarHBondContact O-CB 3.33Å; I1588-W1592 PolarHBondContact O-N 3.21Å
1589Y82Confident76.1Confident57 Ų5762.5 Ų62.522%0.22434%0.337CS..Hα-helixtrans-61.4-43.5177.9175.5-120.2000112.7G1585 L1586 W1592 Q1593 L1613G1585-Y1589 WeakPolarHBondContact O-CB 3.49Å; G1585-Y1589 PolarHBondContact O-N 2.92Å; L1586-Y1589 PolarHBondContact O-N 3.15Å; Y1589-W1592 HydrophobicContact CD2-CE3 4.15Å; Y1589-W1592 HydrophobicContact CE2-CE3 4.18Å; Y1589-W1592 HydrophobicContact CE2-CZ3 4.16Å; Y1589-W1592 PolarHBondContact O-N 2.92Å; Y1589-Q1593 HydrophobicContact CD2-CG 4.45Å; Y1589-Q1593 HydrophobicContact CE2-CG 4.11Å; Y1589-Q1593 WeakPolarHBondContact O-CG 3.4Å; Y1589-Q1593 PolarHBondContact O-N 3.06Å; Y1589-Q1593 PolarHBondContact OH-NE2 3.4Å; Y1589-L1613 HydrophobicContact CD1-CD2 3.77Å; Y1589-L1613 HydrophobicContact CD2-CD1 3.81Å; Y1589-L1613 HydrophobicContact CD2-CD2 3.81Å; Y1589-L1613 HydrophobicContact CD2-CG 4.37Å; Y1589-L1613 HydrophobicContact CE1-CD2 3.68Å; Y1589-L1613 HydrophobicContact CE2-CB 4.3Å; Y1589-L1613 HydrophobicContact CE2-CD1 3.86Å; Y1589-L1613 HydrophobicContact CE2-CD2 3.74Å; Y1589-L1613 HydrophobicContact CE2-CG 4.17Å; Y1589-L1613 HydrophobicContact CG-CD1 4.48Å; Y1589-L1613 HydrophobicContact CG-CD2 3.8Å
1590E74.3Confident74.2Confident42 Ų4266.3 Ų66.320%0.19636%0.358CS..Hα-helixtrans-60.4-45.8173.1-76.5-175.8-178.300112.7Y1495 R1496 L1586 I1588 W1592 Q1593 M1594Y1495-E1590 WeakPolarHBondContact CE2-OE1 3.36Å; Y1495-E1590 WeakPolarHBondContact CE2-OE2 3.39Å; R1496-E1590 IonicContact NE-OE2 2.82Å; L1586-E1590 WeakPolarHBondContact O-CG 3.39Å; L1586-E1590 PolarHBondContact O-N 3.38Å; I1588-E1590 PolarHBondContact O-N 3.13Å; E1590-W1592 VanDerWaalsContact C-N 3.3Å; E1590-W1592 PolarHBondContact O-N 3.13Å; E1590-Q1593 PolarHBondContact O-N 3.21Å; E1590-M1594 WeakPolarHBondContact O-CB 3.39Å; E1590-M1594 WeakPolarHBondContact O-CG 3.26Å; E1590-M1594 PolarHBondContact O-N 3.08Å
1591N75.4Confident72.1Confident63 Ų6375.6 Ų75.634%0.33740%0.398SS..Hα-helixtrans-66.6-34.7179.4-76-44.9000111.5L1587 I1588 M1594 N1595L1587-N1591 WeakPolarHBondContact CD2-ND2 3.43Å; L1587-N1591 WeakPolarHBondContact O-CB 3.33Å; L1587-N1591 PolarHBondContact O-N 3.39Å; L1587-N1591 VanDerWaalsContact O-N 3.14Å; L1587-N1591 PolarHBondContact O-ND2 3.5Å; I1588-N1591 PolarHBondContact O-N 3.35Å; N1591-M1594 PolarHBondContact O-N 2.86Å; N1591-N1595 WeakPolarHBondContact O-CB 3.45Å; N1591-N1595 PolarHBondContact O-N 3.25Å
1592W80.7Confident69.9Low141 Ų14181.3 Ų81.353%0.53442%0.422SS..Hα-helixtrans-64.7-44.8171.1-179.484.2000112I1588 Y1589 E1590 M1594 N1595 K1596I1588-W1592 WeakPolarHBondContact O-CB 3.33Å; I1588-W1592 PolarHBondContact O-N 3.21Å; Y1589-W1592 HydrophobicContact CD2-CE3 4.15Å; Y1589-W1592 HydrophobicContact CE2-CE3 4.18Å; Y1589-W1592 HydrophobicContact CE2-CZ3 4.16Å; Y1589-W1592 PolarHBondContact O-N 2.92Å; E1590-W1592 VanDerWaalsContact C-N 3.3Å; E1590-W1592 PolarHBondContact O-N 3.13Å; W1592-M1594 PolarHBondContact O-N 3.13Å; W1592-N1595 PolarHBondContact O-N 3.43Å; W1592-K1596 HydrophobicContact CH2-CD 4.2Å; W1592-K1596 HydrophobicContact CZ2-CD 4.32Å; W1592-K1596 WeakPolarHBondContact O-CB 3.47Å; W1592-K1596 PolarHBondContact O-N 3.07Å
1593Q74.4Confident67.5Low89 Ų8986.7 Ų86.742%0.41645%0.451SS..Hα-helixtrans-60.2-43.2172.8-76.5-163.8-6.400112.3Y1589 E1590 K1596 S1597Y1589-Q1593 HydrophobicContact CD2-CG 4.45Å; Y1589-Q1593 HydrophobicContact CE2-CG 4.11Å; Y1589-Q1593 WeakPolarHBondContact O-CG 3.4Å; Y1589-Q1593 PolarHBondContact O-N 3.06Å; Y1589-Q1593 PolarHBondContact OH-NE2 3.4Å; E1590-Q1593 PolarHBondContact O-N 3.21Å; Q1593-K1596 PolarHBondContact O-N 3.2Å; Q1593-S1597 WeakPolarHBondContact O-CB 3.36Å; Q1593-S1597 PolarHBondContact O-N 3.38Å; Q1593-S1597 PolarHBondContact O-OG 2.96Å
1594M67.9Low64.8Low94 Ų9493.5 Ų93.546%0.46349%0.488SS..Hα-helixtrans-68.1-38.2179.9-74.8-63-62.900112.7E1590 N1591 W1592 S1597 T1598E1590-M1594 WeakPolarHBondContact O-CB 3.39Å; E1590-M1594 WeakPolarHBondContact O-CG 3.26Å; E1590-M1594 PolarHBondContact O-N 3.08Å; N1591-M1594 PolarHBondContact O-N 2.86Å; W1592-M1594 PolarHBondContact O-N 3.13Å; M1594-S1597 WeakPolarHBondContact CA-OG 3.45Å; M1594-S1597 PolarHBondContact O-OG 3.45Å; M1594-S1597 VanDerWaalsContact O-OG 3.06Å; M1594-T1598 VanDerWaalsContact O-CB 3.3Å; M1594-T1598 WeakPolarHBondContact O-CB 3.48Å; M1594-T1598 PolarHBondContact O-N 3.21Å; M1594-T1598 PolarHBondContact O-OG1 3.23Å
1595N68.2Low62.2Low123 Ų123100.8 Ų100.866%0.65852%0.517SS*.Hα-helixtrans-66.4-39.9172.3-74.6-10000111N1591 W1592 T1598 G1599N1591-N1595 WeakPolarHBondContact O-CB 3.45Å; N1591-N1595 PolarHBondContact O-N 3.25Å; W1592-N1595 PolarHBondContact O-N 3.43Å; N1595-T1598 PolarHBondContact O-N 2.88Å; N1595-G1599 PolarHBondContact O-N 3.34Å
1596K65.8Low59.7Low93 Ų93107.2 Ų107.240%0.40454%0.536SS..Hα-helixtrans-66.4-38.7176.2-166.8172.9-177.4178.70112.6W1592 Q1593 N1600W1592-K1596 HydrophobicContact CH2-CD 4.2Å; W1592-K1596 HydrophobicContact CZ2-CD 4.32Å; W1592-K1596 WeakPolarHBondContact O-CB 3.47Å; W1592-K1596 PolarHBondContact O-N 3.07Å; Q1593-K1596 PolarHBondContact O-N 3.2Å; K1596-N1600 WeakPolarHBondContact O-CB 3.18Å; K1596-N1600 VanDerWaalsContact O-CG 3.28Å; K1596-N1600 PolarHBondContact O-N 3.26Å; K1596-N1600 VanDerWaalsContact O-N 3.15Å; K1596-N1600 PolarHBondContact O-OD1 2.89Å
1597S57.1Low57.4Low66 Ų66111.7 Ų111.746%0.46256%0.559SS.*Hα-helixtrans-73.1-34.6176.5680000112.8Q1593 M1594Q1593-S1597 WeakPolarHBondContact O-CB 3.36Å; Q1593-S1597 PolarHBondContact O-N 3.38Å; Q1593-S1597 PolarHBondContact O-OG 2.96Å; M1594-S1597 WeakPolarHBondContact CA-OG 3.45Å; M1594-S1597 PolarHBondContact O-OG 3.45Å; M1594-S1597 VanDerWaalsContact O-OG 3.06Å
1598T51Low55Low101 Ų101117.6 Ų117.662%0.6259%0.591SS**Hα-helixtrans-72-39.6176.4-52.90000111.6M1594 N1595M1594-T1598 VanDerWaalsContact O-CB 3.3Å; M1594-T1598 WeakPolarHBondContact O-CB 3.48Å; M1594-T1598 PolarHBondContact O-N 3.21Å; M1594-T1598 PolarHBondContact O-OG1 3.23Å; N1595-T1598 PolarHBondContact O-N 2.88Å
1599G49.3Very low52.8Low49 Ų49115.7 Ų115.751%0.50559%0.585SS.*Hα-helixtrans-67.5-39.2175.800000113.9N1595 K1601N1595-G1599 PolarHBondContact O-N 3.34Å; G1599-K1601 VanDerWaalsContact C-N 3.29Å; G1599-K1601 PolarHBondContact O-N 3.42Å
1600N45.6Very low50.7Low81 Ų81121.3 Ų121.343%0.43361%0.611SS.*G310 helixtrans-78.5-1.6-171.3-75.115.8000115.3K1596 K1602 N1603K1596-N1600 WeakPolarHBondContact O-CB 3.18Å; K1596-N1600 VanDerWaalsContact O-CG 3.28Å; K1596-N1600 PolarHBondContact O-N 3.26Å; K1596-N1600 VanDerWaalsContact O-N 3.15Å; K1596-N1600 PolarHBondContact O-OD1 2.89Å; N1600-K1602 PolarHBondContact O-N 3.29Å; N1600-K1602 VanDerWaalsContact O-N 3.11Å; N1600-N1603 CarbonylContact O-C 3.55Å; N1600-N1603 PolarHBondContact O-N 2.92Å
1601K39.2Very low49.3Very low197 Ų197123.5 Ų123.586%0.85763%0.629SS**G310 helixtrans-66.9-4.4171.6-92.9-166.3174.2-172.20114.7G1599G1599-K1601 VanDerWaalsContact C-N 3.29Å; G1599-K1601 PolarHBondContact O-N 3.42Å
1602K39.3Very low47.7Very low194 Ų194126 Ų12684%0.84364%0.641SS**G310 helixtrans-108.2-5.1172.8-75.5-167.9173.1-173.40115.5N1600N1600-K1602 PolarHBondContact O-N 3.29Å; N1600-K1602 VanDerWaalsContact O-N 3.11Å
1603N37.5Very low45.9Very low141 Ų141122.1 Ų122.175%0.75463%0.63SS**SBendtrans-15490.1173.7-88.1-46.4000109.1N1600N1600-N1603 CarbonylContact O-C 3.55Å; N1600-N1603 PolarHBondContact O-N 2.92Å
1604L29.2Very low44.5Very low153 Ų153124.7 Ų124.780%0.80164%0.642SS**  trans-106.395-179.6-178.672.7000110.8
1605H31Very low43.3Very low178 Ų178122.6 Ų122.682%0.82464%0.64SS**  trans-163.7151.6143.2-117.5-84.3000111.5
1606Q34.5Very low41.9Very low175 Ų175119 Ų11982%0.81862%0.624SS**  trans80.7139.6168.3-60.4-173.2-300121.1
1607L34.5Very low40.9Very low156 Ų156118.2 Ų118.282%0.81762%0.624SS**  trans70.8119.4165.7-90.269.7000122.2
1608N32.2Very low40.5Very low162 Ų162119.8 Ų119.887%0.86663%0.631SS**  trans-75.2135.7169.6-72.9-50000112.1
1609T40.5Very low40.1Very low75 Ų75122.9 Ų122.946%0.4664%0.638SS.*  trans-140.562.3163.863.20000112.1I1612T1609-I1612 HydrophobicContact CG2-CD1 4.33Å
1610K36.7Very low39.7Very low174 Ų174127.7 Ų127.776%0.75765%0.649SS**  trans-82.3-28.9170-90-168.1172.3-172.80116.9
1611P44.9Very low39.5Very low88 Ų88127.6 Ų127.657%0.57165%0.649SS**Hα-helixtrans-83.4-15.6-17132.4-35.8000115L1613 E1614 A1615P1611-L1613 PolarHBondContact O-N 2.96Å; P1611-E1614 PolarHBondContact O-N 3.4Å; P1611-A1615 PolarHBondContact O-N 3.03Å
1612I42.3Very low39.3Very low117 Ų117121.5 Ų121.560%0.664%0.642SS**Hα-helixtrans-68.8-33.7-171.3-60.9176.1000112T1609 C1616T1609-I1612 HydrophobicContact CG2-CD1 4.33Å; I1612-C1616 WeakPolarHBondContact O-CB 3.47Å; I1612-C1616 PolarHBondContact O-N 3.47Å
1613L43.6Very low39.1Very low59 Ų59120.5 Ų120.531%0.30964%0.64SS.*Hα-helixtrans-76.3-33.7179.2-155.695.2000112.7Y1589 P1611 A1615 C1616 L1617Y1589-L1613 HydrophobicContact CD1-CD2 3.77Å; Y1589-L1613 HydrophobicContact CD2-CD1 3.81Å; Y1589-L1613 HydrophobicContact CD2-CD2 3.81Å; Y1589-L1613 HydrophobicContact CD2-CG 4.37Å; Y1589-L1613 HydrophobicContact CE1-CD2 3.68Å; Y1589-L1613 HydrophobicContact CE2-CB 4.3Å; Y1589-L1613 HydrophobicContact CE2-CD1 3.86Å; Y1589-L1613 HydrophobicContact CE2-CD2 3.74Å; Y1589-L1613 HydrophobicContact CE2-CG 4.17Å; Y1589-L1613 HydrophobicContact CG-CD1 4.48Å; Y1589-L1613 HydrophobicContact CG-CD2 3.8Å; P1611-L1613 PolarHBondContact O-N 2.96Å; L1613-A1615 VanDerWaalsContact C-N 3.32Å; L1613-C1616 PolarHBondContact O-N 2.87Å; L1613-L1617 HydrophobicContact CD2-CD1 3.69Å; L1613-L1617 HydrophobicContact CG-CD1 4.2Å; L1613-L1617 WeakPolarHBondContact O-CB 3.4Å; L1613-L1617 PolarHBondContact O-N 3.16Å
1614E44.7Very low39Very low142 Ų142120.8 Ų120.866%0.66464%0.641SS**Hα-helixtrans-65.3-38.1174.3-70.2-179.6139.900111.2P1611 T1618P1611-E1614 PolarHBondContact O-N 3.4Å; E1614-T1618 WeakPolarHBondContact O-CB 3.39Å; E1614-T1618 WeakPolarHBondContact O-CG2 3.42Å; E1614-T1618 PolarHBondContact O-N 3.37Å; E1614-T1618 PolarHBondContact O-OG1 3.4Å
1615A42.4Very low39.1Very low50 Ų50119.1 Ų119.141%0.41364%0.639SS.*Hα-helixtrans-64.7-41.3171.800000112.4P1611 L1613 T1618 Q1619P1611-A1615 PolarHBondContact O-N 3.03Å; L1613-A1615 VanDerWaalsContact C-N 3.32Å; A1615-T1618 WeakPolarHBondContact CA-OG1 3.46Å; A1615-T1618 PolarHBondContact O-N 3.02Å; A1615-T1618 PolarHBondContact O-OG1 3.37Å; A1615-Q1619 WeakPolarHBondContact O-CB 3.28Å; A1615-Q1619 WeakPolarHBondContact O-CG 3.41Å; A1615-Q1619 PolarHBondContact O-N 3.17Å
1616C38.8Very low39Very low49 Ų49119.8 Ų119.833%0.33164%0.64SS.*Hα-helixtrans-71.1-37.2178.3-166.60000112.5I1612 L1613 Q1619 M1620I1612-C1616 WeakPolarHBondContact O-CB 3.47Å; I1612-C1616 PolarHBondContact O-N 3.47Å; L1613-C1616 PolarHBondContact O-N 2.87Å; C1616-Q1619 PolarHBondContact O-N 3.36Å; C1616-M1620 PolarHBondContact O-N 3.39Å
1617L45.1Very low39.1Very low76 Ų76120 Ų12040%0.39864%0.641SS.*Hα-helixtrans-66.6-40.2172.7-93.9154.4000112L1613 Q1619 M1620 L1621L1613-L1617 HydrophobicContact CD2-CD1 3.69Å; L1613-L1617 HydrophobicContact CG-CD1 4.2Å; L1613-L1617 WeakPolarHBondContact O-CB 3.4Å; L1613-L1617 PolarHBondContact O-N 3.16Å; L1617-Q1619 VanDerWaalsContact C-N 3.33Å; L1617-M1620 PolarHBondContact O-N 2.96Å; L1617-L1621 HydrophobicContact CD2-CD1 3.93Å; L1617-L1621 HydrophobicContact CD2-CG 4.43Å; L1617-L1621 WeakPolarHBondContact O-CB 3.36Å; L1617-L1621 VanDerWaalsContact O-CG 3.27Å; L1617-L1621 WeakPolarHBondContact O-CG 3.44Å; L1617-L1621 PolarHBondContact O-N 3.21Å
1618T47.8Very low38.9Very low99 Ų99117.7 Ų117.761%0.60764%0.635SS**Hα-helixtrans-73-22.5174.946.60000113.3E1614 A1615E1614-T1618 WeakPolarHBondContact O-CB 3.39Å; E1614-T1618 WeakPolarHBondContact O-CG2 3.42Å; E1614-T1618 PolarHBondContact O-N 3.37Å; E1614-T1618 PolarHBondContact O-OG1 3.4Å; A1615-T1618 WeakPolarHBondContact CA-OG1 3.46Å; A1615-T1618 PolarHBondContact O-N 3.02Å; A1615-T1618 PolarHBondContact O-OG1 3.37Å
1619Q43.4Very low38.8Very low166 Ų166114 Ų11478%0.77663%0.628SS**Hα-helixtrans-76.5-27.4167.9-77.9-175.3-38.600114.1A1615 C1616 L1617A1615-Q1619 WeakPolarHBondContact O-CB 3.28Å; A1615-Q1619 WeakPolarHBondContact O-CG 3.41Å; A1615-Q1619 PolarHBondContact O-N 3.17Å; C1616-Q1619 PolarHBondContact O-N 3.36Å; L1617-Q1619 VanDerWaalsContact C-N 3.33Å
1620M40.9Very low38.3Very low149 Ų149117.6 Ų117.673%0.73464%0.644SS**Hα-helixtrans-89-31.5173.1-67.6-163.9-138.400113.5C1616 L1617 G1622C1616-M1620 PolarHBondContact O-N 3.39Å; L1617-M1620 PolarHBondContact O-N 2.96Å; M1620-G1622 VanDerWaalsContact C-N 3.26Å; M1620-G1622 PolarHBondContact O-N 2.7Å
1621L41.6Very low38.1Very low80 Ų80121 Ų12142%0.41965%0.652SS.*SBendtrans-89.264.8172.1-61.4171.3000108.8L1577 L1617 H1623L1577-L1621 HydrophobicContact CD2-CD2 3.89Å; L1617-L1621 HydrophobicContact CD2-CD1 3.93Å; L1617-L1621 HydrophobicContact CD2-CG 4.43Å; L1617-L1621 WeakPolarHBondContact O-CB 3.36Å; L1617-L1621 VanDerWaalsContact O-CG 3.27Å; L1617-L1621 WeakPolarHBondContact O-CG 3.44Å; L1617-L1621 PolarHBondContact O-N 3.21Å; L1621-H1623 PolarHBondContact O-N 2.95Å
1622G33.5Very low37.4Very low69 Ų69124 Ų12471%0.71166%0.662SS**  trans-56.2120.4-171.200000113.2M1620M1620-G1622 VanDerWaalsContact C-N 3.26Å; M1620-G1622 PolarHBondContact O-N 2.7Å
1623H35.2Very low37Very low173 Ų173123.3 Ų123.380%0.80167%0.666SS**  trans-146124.8169.1-155.1-54.4000109.3L1621 P1625L1621-H1623 PolarHBondContact O-N 2.95Å; H1623-P1625 WeakPolarHBondContact O-CD 3.43Å
1624D36Very low36.1Very low147 Ų147127.1 Ų127.179%0.78669%0.686SS**  trans-67.6132.9-174.6-60.1-70.9000112.9
1625P31.4Very low35Very low118 Ų118125.5 Ų125.577%0.76669%0.689SS**  trans-111.771.7172.538-27.8000111.9H1623H1623-P1625 WeakPolarHBondContact O-CD 3.43Å
1626F30.1Very low34.1Very low192 Ų192127.2 Ų127.284%0.84270%0.698SS**  trans-132.276176.4-97.5-75000113.5
1627H34.6Very low33.5Very low179 Ų179133.4 Ų133.483%0.82972%0.719SS**  -168.8133.4129.8-123.3-83.4000113.2
1628P32Very low32.6Very low108 Ų108137.3 Ų137.370%0.70174%0.736SS**  trans-96.3171.7172.837.1-35000114
1629A29.5Very low31.6Very low85 Ų85141.1 Ų141.170%0.70275%0.746SS**  trans94.7137.7157.800000120.9
1630N30.5Very low30.8Very low149 Ų149137.3 Ų137.380%0.79774%0.738SS**  trans73.372.2150.8-59.6-17.8000121.6
1631R31.4Very low30.1Very low245 Ų245139.1 Ų139.193%0.92574%0.737SS**  -177.3129.599-103.9175.5-90.8-151.1-4115.6
1632L29.8Very low29.6Very low152 Ų152145 Ų14580%0.79675%0.754SS**  trans-79.9169.3147.1-11084.5000108.8
1633P33.8Very low29.4Very low103 Ų103144.7 Ų144.767%0.66975%0.752SS**  cis-142.1179.934.843.5-24.5000117.4
1634N25.2Very low29.1Very low138 Ų138142 Ų14274%0.73875%0.752SS**  trans29.3138.4141-55.9-4.1000119.6
1635C22.1Very low28.6Very low109 Ų109143.9 Ų143.974%0.73675%0.754SS**  cis-164.7140.739.7-138.60000114.8
1636S24.3Very low28.3Very low86 Ų86143.9 Ų143.960%0.60175%0.751SS**  trans36.5135.7136.872.30000123.8
1637K24.5Very low28.2Very low178 Ų178141 Ų14177%0.77475%0.745SS**  trans73.6149.6149.7-64.1159173.4-165.80116
1638E27.8Very low27.9Very low159 Ų159140.5 Ų140.574%0.74375%0.747SS**  cis-147171.612.5-139.6137.3-122.800114.4
1639H26.5Very low27.6Very low179 Ų179146.5 Ų146.583%0.82976%0.756SS**  trans-58167.3174.3-72.8-65.7000114.9
1640S25.5Very low27.5Very low85 Ų85147.8 Ų147.859%0.59476%0.76SS**  cis-154.1-164.3-4.947.60000107.4
1641R27.3Very low27.5Very low188 Ų188148.6 Ų148.671%0.70976%0.762SS**  cis-163.71698.8-140.6172-62.9170.34.1105.6
1642Y31.1Very low27.3Very low202 Ų202143.5 Ų143.579%0.79275%0.753SS**  cis-123.3163.51-89.9-95000107.7
1643G28.8Very low27.2Very low64 Ų64143.1 Ų143.166%0.6675%0.752SS**  cis98110.816.500000110.6
1644S28.1Very low26.9Very low116 Ų116147 Ų14781%0.81176%0.764SS**  cis-132.3152.212-79.40000110.6
1645K25.6Very low26.9Very low186 Ų186149 Ų14981%0.80977%0.768SS**  69.511656.7-99.9-161.3176.5-1730115
1646V26.9Very low27.2Very low119 Ų119151.8 Ų151.872%0.72177%0.774SS**  trans73.4143.7133174.60000115.8
1647D26.2Very low27.3Very low132 Ų132152.7 Ų152.771%0.70677%0.772SS**  cis-133.5169.417.1-142-37.9000114.1
1648L29.3Very low27.5Very low168 Ų168152.2 Ų152.288%0.8877%0.773SS**  trans-118.744.6-178.4-14391.7000112.5
1649R25.3Very low27.6Very low234 Ų234152.6 Ų152.688%0.88378%0.778SS**  trans-153.441.1-170.2-118.7172.5-160.1-169.14.5118.8
1650S28.1Very low27.7Very low112 Ų112146.8 Ų146.878%0.78376%0.756SS**  trans-140.344.8171.753.50000114.2N1652S1650-N1652 VanDerWaalsContact C-N 3.25Å; S1650-N1652 PolarHBondContact O-N 3.34Å
1651I30.6Very low27.9Very low166 Ų166148.3 Ų148.385%0.85176%0.757SS**  trans-7582.9168.4-55.4176.5000108.7
1652N27.1Very low28Very low137 Ų137144.5 Ų144.573%0.73375%0.747SS**SBendtrans169.7131.4147.3-84.5-17.1000109.5S1650S1650-N1652 VanDerWaalsContact C-N 3.25Å; S1650-N1652 PolarHBondContact O-N 3.34Å
1653N27.7Very low28.1Very low144 Ų144136.2 Ų136.277%0.7772%0.717SS**  trans5889.2161.7-54.43000118.4
1654M26.8Very low28.4Very low185 Ų185137.3 Ų137.391%0.91171%0.707SS**  trans-163.9137.7139.3-112162.4-76.300110
1655E26Very low28.7Very low179 Ų179140.3 Ų140.384%0.83670%0.702SS**  trans-74.8156.9169.3-65.9123.3124.200111.8
1656I28.1Very low29.1Very low169 Ų169136.5 Ų136.587%0.86769%0.686SS**  trans-177.1156157-98.6151.1000110.1
1657D26.5Very low29.5Very low104 Ų104134.5 Ų134.556%0.55667%0.668SS**  trans-92163.7-143.7-65.6-87.5000121.5
1658H29.6Very low30.1Very low169 Ų169133.8 Ų133.878%0.78266%0.661SS**  trans-6.2123153.2-67.7-96.4000120.8
1659I28.6Very low30.6Very low166 Ų166129.2 Ų129.285%0.85164%0.64SS**  -137.9131.5129.9-62.2-172.5000108.2
1660P29.3Very low31.4Very low57 Ų57123.2 Ų123.237%0.3763%0.625SS.*  trans-94.4140.1-166.435-34.9000115.3
1661L29.7Very low32Very low118 Ų118124 Ų12462%0.61861%0.614SS**  trans-142.523163.1-111.4173.2000112.5I2075L1661-I2075 HydrophobicContact CD2-CB 4.32Å; L1661-I2075 HydrophobicContact CD2-CD1 3.91Å; L1661-I2075 HydrophobicContact CD2-CG1 4.48Å
1662E28.9Very low32.4Very low108 Ų108122.5 Ų122.551%0.50560%0.599SS.*  trans-109.6102.5-177.5-166-166.1-126.900112.2K1666E1662-K1666 VanDerWaalsContact CD-CE 3.45Å; E1662-K1666 HydrophobicContact CG-CD 4.19Å; E1662-K1666 WeakPolarHBondContact OE1-CD 3.35Å; E1662-K1666 WeakPolarHBondContact OE1-CE 3.48Å; E1662-K1666 IonicContact OE1-NZ 3.67Å; E1662-K1666 PolarHBondContact OE1-NZ 3.42Å; E1662-K1666 WeakPolarHBondContact OE2-CE 3.33Å; E1662-K1666 IonicContact OE2-NZ 3.53Å; E1662-K1666 PolarHBondContact OE2-NZ 2.88Å
1663N32.7Very low33.3Very low27 Ų27122.8 Ų122.814%0.14459%0.593CS.*SBendtrans-163.5-27.7160.3-102.7-50.9000114.4I2075 E2076 R2077N1663-I2075 HydrophobicContact CB-CG2 3.67Å; N1663-E2076 WeakPolarHBondContact ND2-CG 3.2Å; N1663-R2077 HydrophobicContact CB-CG 4.05Å; N1663-R2077 PolarHBondContact O-NH1 2.97Å; N1663-R2077 PolarHBondContact O-NH2 3.08Å; N1663-R2077 WeakPolarHBondContact OD1-CB 3.39Å; N1663-R2077 WeakPolarHBondContact OD1-CD 3.49Å; N1663-R2077 WeakPolarHBondContact OD1-CG 3.26Å; N1663-R2077 PolarHBondContact OD1-NE 2.87Å; N1663-R2077 PolarHBondContact OD1-NH1 3.39Å
1664N35.3Very low34.4Very low87 Ų87121.3 Ų121.347%0.46558%0.582SS.*SBendtrans-81-40.2-178.8-136.3-29.1000113.2K1666 E1667 I2075N1664-K1666 PolarHBondContact O-N 2.8Å; N1664-E1667 PolarHBondContact O-N 3.22Å; N1664-I2075 HydrophobicContact CB-CD1 3.78Å; N1664-I2075 HydrophobicContact CB-CG1 4.14Å
1665Y33.5Very low35.2Very low180 Ų180117.9 Ų117.971%0.70656%0.563SS**Hα-helixtrans-68.1-35.5-177.4-104.3-92.4000114.5E1667 T1669Y1665-E1667 PolarHBondContact O-N 3.49Å; Y1665-T1669 WeakPolarHBondContact O-CB 3.47Å; Y1665-T1669 WeakPolarHBondContact O-CG2 3.48Å; Y1665-T1669 PolarHBondContact O-N 3.43Å; Y1665-T1669 PolarHBondContact O-OG1 2.59Å
1666K34.2Very low36.5Very low105 Ų105115 Ų11546%0.45755%0.55SS.*Hα-helixtrans-62.2-28.1176.9-92.3178.5171.4162.50112.4E1662 N1664 T1669 L1670E1662-K1666 VanDerWaalsContact CD-CE 3.45Å; E1662-K1666 HydrophobicContact CG-CD 4.19Å; E1662-K1666 WeakPolarHBondContact OE1-CD 3.35Å; E1662-K1666 WeakPolarHBondContact OE1-CE 3.48Å; E1662-K1666 IonicContact OE1-NZ 3.67Å; E1662-K1666 PolarHBondContact OE1-NZ 3.42Å; E1662-K1666 WeakPolarHBondContact OE2-CE 3.33Å; E1662-K1666 IonicContact OE2-NZ 3.53Å; E1662-K1666 PolarHBondContact OE2-NZ 2.88Å; N1664-K1666 PolarHBondContact O-N 2.8Å; K1666-T1669 WeakPolarHBondContact CA-OG1 3.46Å; K1666-T1669 PolarHBondContact O-OG1 3.13Å; K1666-L1670 VanDerWaalsContact O-CB 3.23Å; K1666-L1670 WeakPolarHBondContact O-CB 3.33Å; K1666-L1670 PolarHBondContact O-N 3.23Å
1667E37Very low37.7Very low77 Ų77114.5 Ų114.536%0.3654%0.541SS..Hα-helixtrans-83-38.2-178.7-131.916710900113.9N1664 Y1665 K1671 R2077N1664-E1667 PolarHBondContact O-N 3.22Å; Y1665-E1667 PolarHBondContact O-N 3.49Å; E1667-K1671 WeakPolarHBondContact O-CB 3.46Å; E1667-K1671 WeakPolarHBondContact O-CG 3.45Å; E1667-K1671 PolarHBondContact O-N 2.83Å; E1667-K1671 IonicContact OE1-NZ 2.67Å; E1667-K1671 PolarHBondContact OE1-NZ 3.11Å; E1667-R2077 VanDerWaalsContact CB-NH2 3.3Å; E1667-R2077 IonicContact OE2-CZ 2.66Å; E1667-R2077 IonicContact OE2-NE 2.68Å; E1667-R2077 PolarHBondContact OE2-NE 2.75Å; E1667-R2077 IonicContact OE2-NH2 2.61Å; E1667-R2077 PolarHBondContact OE2-NH2 3.18Å
1668Q38.9Very low39.3Very low117 Ų117112 Ų11255%0.54753%0.527SS..Hα-helixtrans-68-39.7173.5-65.8-174.2-2.900110.9K1671 Y1672Q1668-K1671 PolarHBondContact O-N 3.16Å; Q1668-Y1672 WeakPolarHBondContact O-CB 3.43Å; Q1668-Y1672 PolarHBondContact O-N 3.3Å
1669T39.6Very low40.3Very low72 Ų72108.3 Ų108.344%0.44251%0.512SS..Hα-helixtrans-72.4-32.617652.60000113.4Y1665 K1666 K1673Y1665-T1669 WeakPolarHBondContact O-CB 3.47Å; Y1665-T1669 WeakPolarHBondContact O-CG2 3.48Å; Y1665-T1669 PolarHBondContact O-N 3.43Å; Y1665-T1669 PolarHBondContact O-OG1 2.59Å; K1666-T1669 WeakPolarHBondContact CA-OG1 3.46Å; K1666-T1669 PolarHBondContact O-OG1 3.13Å; T1669-K1673 WeakPolarHBondContact O-CB 3.1Å; T1669-K1673 PolarHBondContact O-N 3.28Å
1670L40.7Very low41.7Very low108 Ų108104 Ų10457%0.56549%0.494SS*.Hα-helixtrans-67-46.8169.9-162.478.3000110.9K1666 Y1672 K1673 Q1674K1666-L1670 VanDerWaalsContact O-CB 3.23Å; K1666-L1670 WeakPolarHBondContact O-CB 3.33Å; K1666-L1670 PolarHBondContact O-N 3.23Å; L1670-Y1672 VanDerWaalsContact C-N 3.3Å; L1670-Y1672 PolarHBondContact O-N 3.15Å; L1670-K1673 PolarHBondContact O-N 2.82Å; L1670-Q1674 WeakPolarHBondContact O-CB 3.3Å; L1670-Q1674 PolarHBondContact O-N 2.97Å
1671K40.6Very low43.4Very low130 Ų130107 Ų10757%0.56550%0.502SS*.Hα-helixtrans-57.1-41.4174.3-79.2166.2176.8153.80111.8E1667 Q1668 H1675E1667-K1671 WeakPolarHBondContact O-CB 3.46Å; E1667-K1671 WeakPolarHBondContact O-CG 3.45Å; E1667-K1671 PolarHBondContact O-N 2.83Å; E1667-K1671 IonicContact OE1-NZ 2.67Å; E1667-K1671 PolarHBondContact OE1-NZ 3.11Å; Q1668-K1671 PolarHBondContact O-N 3.16Å; K1671-H1675 WeakPolarHBondContact O-CB 3.44Å; K1671-H1675 PolarHBondContact O-N 2.75Å
1672Y40.4Very low44.7Very low134 Ų134105.6 Ų105.653%0.52549%0.491SS..Hα-helixtrans-63.3-52.7172.9-104.3-97.6000112.5Q1668 L1670 Q1674 H1675 E1676 F1932Q1668-Y1672 WeakPolarHBondContact O-CB 3.43Å; Q1668-Y1672 PolarHBondContact O-N 3.3Å; L1670-Y1672 VanDerWaalsContact C-N 3.3Å; L1670-Y1672 PolarHBondContact O-N 3.15Å; Y1672-Q1674 VanDerWaalsContact C-N 3.26Å; Y1672-Q1674 PolarHBondContact O-N 3.37Å; Y1672-H1675 CarbonylContact O-C 3.56Å; Y1672-H1675 PolarHBondContact O-N 3.04Å; Y1672-E1676 WeakPolarHBondContact O-CB 3.31Å; Y1672-E1676 PolarHBondContact O-N 3.18Å; Y1672-F1932 HydrophobicContact CE1-CE2 4.35Å; Y1672-F1932 HydrophobicContact CE2-CE1 4.36Å; Y1672-F1932 HydrophobicContact CE2-CZ 4.3Å; Y1672-F1932 AromaticContact CZ-CE2 3.85Å; Y1672-F1932 AromaticContact CZ-CZ 3.98Å; Y1672-F1932 WeakPolarHBondContact OH-CD2 3.42Å; Y1672-F1932 VanDerWaalsContact OH-CE2 3.24Å; Y1672-F1932 WeakPolarHBondContact OH-CE2 3.14Å; Y1672-F1932 WeakPolarHBondContact OH-CG 3.48Å
1673K44.5Very low45.9Very low142 Ų142105 Ų10562%0.61749%0.491SS*.Hα-helixtrans-64.9-28.6179.7-78.4-173.5173-177.10113.5T1669 L1670 K1677T1669-K1673 WeakPolarHBondContact O-CB 3.1Å; T1669-K1673 PolarHBondContact O-N 3.28Å; L1670-K1673 PolarHBondContact O-N 2.82Å; K1673-K1677 WeakPolarHBondContact O-CB 3.34Å; K1673-K1677 WeakPolarHBondContact O-CG 3.32Å; K1673-K1677 PolarHBondContact O-N 2.71Å
1674Q51.2Low47.2Very low114 Ų114107.4 Ų107.453%0.53350%0.504SS..Hα-helixtrans-79-36.9177.2-167.4167.1-0.500111.2L1670 Y1672 E1678L1670-Q1674 WeakPolarHBondContact O-CB 3.3Å; L1670-Q1674 PolarHBondContact O-N 2.97Å; Y1672-Q1674 VanDerWaalsContact C-N 3.26Å; Y1672-Q1674 PolarHBondContact O-N 3.37Å; Q1674-E1678 WeakPolarHBondContact O-CB 3.26Å; Q1674-E1678 PolarHBondContact O-N 2.85Å
1675H44.8Very low48.3Very low112 Ų112107.7 Ų107.752%0.51950%0.503SS..Hα-helixtrans-74.3-27.5171.5-161.2-42.6000112.4K1671 Y1672 L1679K1671-H1675 WeakPolarHBondContact O-CB 3.44Å; K1671-H1675 PolarHBondContact O-N 2.75Å; Y1672-H1675 CarbonylContact O-C 3.56Å; Y1672-H1675 PolarHBondContact O-N 3.04Å; H1675-L1679 WeakPolarHBondContact ND1-CD1 3.46Å; H1675-L1679 WeakPolarHBondContact O-CB 3.43Å; H1675-L1679 PolarHBondContact O-N 3.4Å
1676E51.4Low49.1Very low119 Ų119103.5 Ų103.556%0.55649%0.491SS*.Hα-helixtrans-71.7-47170.3-179.5178.4-147.200110.8Y1672 L1679 V1680Y1672-E1676 WeakPolarHBondContact O-CB 3.31Å; Y1672-E1676 PolarHBondContact O-N 3.18Å; E1676-L1679 PolarHBondContact O-N 3.09Å; E1676-L1679 VanDerWaalsContact O-N 3.1Å; E1676-V1680 WeakPolarHBondContact O-CG2 3.4Å; E1676-V1680 PolarHBondContact O-N 3.33Å
1677K55.1Low49.6Very low158 Ų158104.9 Ų104.969%0.68750%0.497SS*.Hα-helixtrans-57.6-49.5169.6-82.6-170.1173.1-166.90111.1K1673 L1679 V1680 E1681K1673-K1677 WeakPolarHBondContact O-CB 3.34Å; K1673-K1677 WeakPolarHBondContact O-CG 3.32Å; K1673-K1677 PolarHBondContact O-N 2.71Å; K1677-L1679 VanDerWaalsContact C-N 3.26Å; K1677-L1679 PolarHBondContact O-N 3.26Å; K1677-V1680 PolarHBondContact O-N 2.98Å; K1677-E1681 WeakPolarHBondContact O-CB 3.4Å; K1677-E1681 PolarHBondContact O-N 3.5Å
1678E59.2Low50.1Low53 Ų53107 Ų10725%0.24851%0.507CS..Hα-helixtrans-56.8-37.4173.3-87.4-148.2125.400112.4Q1674 K1682Q1674-E1678 WeakPolarHBondContact O-CB 3.26Å; Q1674-E1678 PolarHBondContact O-N 2.85Å; E1678-K1682 WeakPolarHBondContact O-CB 3.34Å; E1678-K1682 VanDerWaalsContact O-CD 3.27Å; E1678-K1682 WeakPolarHBondContact O-CD 3.32Å; E1678-K1682 WeakPolarHBondContact O-CG 3.3Å; E1678-K1682 PolarHBondContact O-N 3.49Å; E1678-K1682 WeakPolarHBondContact OE1-CE 3.27Å; E1678-K1682 IonicContact OE1-NZ 2.97Å; E1678-K1682 PolarHBondContact OE1-NZ 3.19Å; E1678-K1682 IonicContact OE2-NZ 3.54Å; E1678-K1682 PolarHBondContact OE2-NZ 2.86Å
1679L49.5Very low50.5Low91 Ų91107.8 Ų107.848%0.47651%0.511SS..Hα-helixtrans-70.5-43.6178-118.885.8000112.2H1675 E1676 K1677 L1683H1675-L1679 WeakPolarHBondContact ND1-CD1 3.46Å; H1675-L1679 WeakPolarHBondContact O-CB 3.43Å; H1675-L1679 PolarHBondContact O-N 3.4Å; E1676-L1679 PolarHBondContact O-N 3.09Å; E1676-L1679 VanDerWaalsContact O-N 3.1Å; K1677-L1679 VanDerWaalsContact C-N 3.26Å; K1677-L1679 PolarHBondContact O-N 3.26Å; L1679-L1683 WeakPolarHBondContact O-CB 3.23Å; L1679-L1683 WeakPolarHBondContact O-CG 3.31Å; L1679-L1683 PolarHBondContact O-N 3.29Å
1680V59.4Low50.7Low76 Ų76111.3 Ų111.346%0.46152%0.522SS..Hα-helixtrans-68.3-38.8178.3171.50000110.7E1676 K1677 L1683 N1684E1676-V1680 WeakPolarHBondContact O-CG2 3.4Å; E1676-V1680 PolarHBondContact O-N 3.33Å; K1677-V1680 PolarHBondContact O-N 2.98Å; V1680-L1683 PolarHBondContact O-N 3.32Å; V1680-N1684 VanDerWaalsContact O-CB 3.26Å; V1680-N1684 WeakPolarHBondContact O-CB 3.38Å; V1680-N1684 VanDerWaalsContact O-CG 3.24Å; V1680-N1684 PolarHBondContact O-N 2.98Å; V1680-N1684 PolarHBondContact O-ND2 3.07Å
1681E63.8Low50.7Low118 Ų118111.6 Ų111.655%0.55152%0.524SS*.Hα-helixtrans-69.7-41.5175.9-169.5162.9-122.300111.1K1677 N1684 Q1685K1677-E1681 WeakPolarHBondContact O-CB 3.4Å; K1677-E1681 PolarHBondContact O-N 3.5Å; E1681-N1684 PolarHBondContact O-N 3.3Å; E1681-Q1685 VanDerWaalsContact O-CB 3.28Å; E1681-Q1685 WeakPolarHBondContact O-CB 3.48Å; E1681-Q1685 WeakPolarHBondContact O-CG 3.44Å; E1681-Q1685 PolarHBondContact O-N 3.41Å
1682K58.5Low50.9Low90 Ų90111.5 Ų111.539%0.39153%0.529SS..Hα-helixtrans-68.7-33.3170.8-70.4163.6-167.2171.30112.3E1678 I1686E1678-K1682 WeakPolarHBondContact O-CB 3.34Å; E1678-K1682 VanDerWaalsContact O-CD 3.27Å; E1678-K1682 WeakPolarHBondContact O-CD 3.32Å; E1678-K1682 WeakPolarHBondContact O-CG 3.3Å; E1678-K1682 PolarHBondContact O-N 3.49Å; E1678-K1682 WeakPolarHBondContact OE1-CE 3.27Å; E1678-K1682 IonicContact OE1-NZ 2.97Å; E1678-K1682 PolarHBondContact OE1-NZ 3.19Å; E1678-K1682 IonicContact OE2-NZ 3.54Å; E1678-K1682 PolarHBondContact OE2-NZ 2.86Å; K1682-I1686 VanDerWaalsContact O-CB 3.28Å; K1682-I1686 WeakPolarHBondContact O-CB 3.41Å; K1682-I1686 WeakPolarHBondContact O-CD1 3.16Å; K1682-I1686 WeakPolarHBondContact O-CG1 3.46Å; K1682-I1686 PolarHBondContact O-N 2.69Å
1683L53.3Low51Low95 Ų95111.4 Ų111.450%0.49754%0.538SS..Hα-helixtrans-69.7-37.5172.8-90.7159000112.2L1679 V1680 I1686 K1687L1679-L1683 WeakPolarHBondContact O-CB 3.23Å; L1679-L1683 WeakPolarHBondContact O-CG 3.31Å; L1679-L1683 PolarHBondContact O-N 3.29Å; V1680-L1683 PolarHBondContact O-N 3.32Å; L1683-I1686 PolarHBondContact O-N 3.43Å; L1683-K1687 WeakPolarHBondContact O-CB 3.25Å; L1683-K1687 WeakPolarHBondContact O-CG 3.07Å; L1683-K1687 PolarHBondContact O-N 2.95Å
1684N59.9Low50.7Low77 Ų77110.8 Ų110.841%0.41254%0.541SS..Hα-helixtrans-74.9-36.8175.4-74.5-16000111.5V1680 E1681 K1687 Q1688V1680-N1684 VanDerWaalsContact O-CB 3.26Å; V1680-N1684 WeakPolarHBondContact O-CB 3.38Å; V1680-N1684 VanDerWaalsContact O-CG 3.24Å; V1680-N1684 PolarHBondContact O-N 2.98Å; V1680-N1684 PolarHBondContact O-ND2 3.07Å; E1681-N1684 PolarHBondContact O-N 3.3Å; N1684-K1687 PolarHBondContact O-N 3.25Å; N1684-Q1688 WeakPolarHBondContact O-CB 3.4Å; N1684-Q1688 WeakPolarHBondContact O-CG 3.35Å; N1684-Q1688 PolarHBondContact O-N 3.4Å
1685Q58.2Low49.8Very low94 Ų94111 Ų11144%0.43955%0.546SS..Hα-helixtrans-62.7-40.9167.8-75.5173.74.700111.3E1681 Q1688 Q1689E1681-Q1685 VanDerWaalsContact O-CB 3.28Å; E1681-Q1685 WeakPolarHBondContact O-CB 3.48Å; E1681-Q1685 WeakPolarHBondContact O-CG 3.44Å; E1681-Q1685 PolarHBondContact O-N 3.41Å; Q1685-Q1688 PolarHBondContact O-N 3.01Å; Q1685-Q1689 WeakPolarHBondContact O-CB 3.31Å; Q1685-Q1689 WeakPolarHBondContact O-CG 3.35Å; Q1685-Q1689 PolarHBondContact O-N 2.62Å
1686I50.1Low49.6Very low91 Ų91110.8 Ų110.847%0.46755%0.549SS..Hα-helixtrans-66.9-40.3174.7-73.7164.6000111K1682 L1683 Q1690K1682-I1686 VanDerWaalsContact O-CB 3.28Å; K1682-I1686 WeakPolarHBondContact O-CB 3.41Å; K1682-I1686 WeakPolarHBondContact O-CD1 3.16Å; K1682-I1686 WeakPolarHBondContact O-CG1 3.46Å; K1682-I1686 PolarHBondContact O-N 2.69Å; L1683-I1686 PolarHBondContact O-N 3.43Å; I1686-Q1690 WeakPolarHBondContact O-CB 3.48Å; I1686-Q1690 WeakPolarHBondContact O-CG 3.44Å; I1686-Q1690 PolarHBondContact O-N 2.9Å
1687K45.8Very low48.8Very low135 Ų135114 Ų11459%0.58756%0.561SS**Hα-helixtrans-62.5-46.5172.3-82.2-178.1172.1-177.90111.9L1683 N1684 Q1690 L1691L1683-K1687 WeakPolarHBondContact O-CB 3.25Å; L1683-K1687 WeakPolarHBondContact O-CG 3.07Å; L1683-K1687 PolarHBondContact O-N 2.95Å; N1684-K1687 PolarHBondContact O-N 3.25Å; K1687-Q1690 CarbonylContact O-C 3.54Å; K1687-Q1690 PolarHBondContact O-N 3.42Å; K1687-L1691 PolarHBondContact O-N 3.28Å
1688Q47Very low47.8Very low120 Ų120115.6 Ų115.656%0.56156%0.564SS**Hα-helixtrans-69.4-37.7179.4-74.8177-2200112.2N1684 Q1685 Q1690 L1691 N1692N1684-Q1688 WeakPolarHBondContact O-CB 3.4Å; N1684-Q1688 WeakPolarHBondContact O-CG 3.35Å; N1684-Q1688 PolarHBondContact O-N 3.4Å; Q1685-Q1688 PolarHBondContact O-N 3.01Å; Q1688-Q1690 PolarHBondContact O-N 3.21Å; Q1688-L1691 PolarHBondContact O-N 2.85Å; Q1688-N1692 WeakPolarHBondContact O-CB 3.28Å; Q1688-N1692 PolarHBondContact O-N 2.83Å
1689Q46.9Very low46.7Very low134 Ų134119.5 Ų119.563%0.62658%0.584SS**Hα-helixtrans-68-18.6172.3-73.3175.84.200113.1Q1685Q1685-Q1689 WeakPolarHBondContact O-CB 3.31Å; Q1685-Q1689 WeakPolarHBondContact O-CG 3.35Å; Q1685-Q1689 PolarHBondContact O-N 2.62Å
1690Q43.6Very low46.2Very low147 Ų147123.7 Ų123.769%0.68759%0.594SS**Hα-helixtrans-95.1-23.3170.3-71.4-166.6-17.300114.1I1686 K1687 Q1688I1686-Q1690 WeakPolarHBondContact O-CB 3.48Å; I1686-Q1690 WeakPolarHBondContact O-CG 3.44Å; I1686-Q1690 PolarHBondContact O-N 2.9Å; K1687-Q1690 CarbonylContact O-C 3.54Å; K1687-Q1690 PolarHBondContact O-N 3.42Å; Q1688-Q1690 PolarHBondContact O-N 3.21Å
1691L41.7Very low45.1Very low114 Ų114128.5 Ų128.560%0.59761%0.608SS**Hα-helixtrans-78.9-47.8172.4-104.365.4000112.5K1687 Q1688 N1693K1687-L1691 PolarHBondContact O-N 3.28Å; Q1688-L1691 PolarHBondContact O-N 2.85Å; L1691-N1693 PolarHBondContact O-N 3.12Å
1692N44.1Very low44Very low127 Ų127127.6 Ų127.668%0.67961%0.606SS**THydrogen-bonded Turntrans-84.723.9-167.4-69.27.2000114.4Q1688Q1688-N1692 WeakPolarHBondContact O-CB 3.28Å; Q1688-N1692 PolarHBondContact O-N 2.83Å
1693N42.3Very low43Very low133 Ų133127.9 Ų127.971%0.71162%0.619SS**THydrogen-bonded Turntrans-137.317.4-175.2-114.6-36.9000115.4L1691L1691-N1693 PolarHBondContact O-N 3.12Å
1694N38.2Very low42.2Very low128 Ų128131.7 Ų131.768%0.68463%0.632SS**SBendtrans-136.1-7.8175.9-86.8-51.9000116.2D1696N1694-D1696 PolarHBondContact O-N 3.26Å
1695N33.9Very low41Very low118 Ų118133.6 Ų133.663%0.63165%0.647SS**THydrogen-bonded Turntrans-72.8-24.4-168.2-71.3-10.7000115.1K1697N1695-K1697 PolarHBondContact O-N 3.5Å
1696D39.1Very low39.8Very low108 Ų108135.1 Ų135.158%0.57866%0.663SS**THydrogen-bonded Turntrans-83.7-5.1-170-129.7-43.9000115.4N1694 R1700N1694-D1696 PolarHBondContact O-N 3.26Å; D1696-R1700 IonicContact OD1-CZ 2.7Å; D1696-R1700 VanDerWaalsContact OD1-CZ 3.24Å; D1696-R1700 IonicContact OD1-NE 3.24Å; D1696-R1700 PolarHBondContact OD1-NE 3.35Å; D1696-R1700 IonicContact OD1-NH2 3.74Å; D1696-R1700 PolarHBondContact OD1-NH2 3.43Å; D1696-R1700 IonicContact OD2-NH2 3.33Å
1697K35.1Very low39.1Very low188 Ų188135 Ų13582%0.81767%0.67SS**THydrogen-bonded Turntrans-113-10.7-178.3-152165.1-173.5172.30115.3N1695N1695-K1697 PolarHBondContact O-N 3.5Å
1698Y33.8Very low38.5Very low190 Ų190137.4 Ų137.475%0.74568%0.683SS**THydrogen-bonded Turntrans-91.5-40.9169.8-108.9-101.3000112.3R1700 K1701Y1698-R1700 PolarHBondContact O-N 2.76Å; Y1698-K1701 PolarHBondContact O-N 2.03Å
1699M37.8Very low37.7Very low136 Ų136137.3 Ų137.367%0.6769%0.691SS**Hα-helixtrans-61-40.6-177.9-71.3-65.9-79.200113.5K1701 I1702 S1703M1699-K1701 PolarHBondContact O-N 3.24Å; M1699-K1701 VanDerWaalsContact O-N 3.15Å; M1699-I1702 PolarHBondContact O-N 3.13Å; M1699-S1703 PolarHBondContact O-N 2.82Å
1700R37.9Very low37Very low179 Ų179138 Ų13868%0.67570%0.704SS**Hα-helixtrans-74.61-179.1-54.2-173.4-160.8-155.92.8114.7D1696 Y1698D1696-R1700 IonicContact OD1-CZ 2.7Å; D1696-R1700 VanDerWaalsContact OD1-CZ 3.24Å; D1696-R1700 IonicContact OD1-NE 3.24Å; D1696-R1700 PolarHBondContact OD1-NE 3.35Å; D1696-R1700 IonicContact OD1-NH2 3.74Å; D1696-R1700 PolarHBondContact OD1-NH2 3.43Å; D1696-R1700 IonicContact OD2-NH2 3.33Å; Y1698-R1700 PolarHBondContact O-N 2.76Å
1701K36.7Very low36.5Very low176 Ų176141.3 Ų141.377%0.76571%0.71SS**Hα-helixtrans-108.9-8.6172-138.2-171.5-179.5-162.20113.6Y1698 M1699Y1698-K1701 PolarHBondContact O-N 2.03Å; M1699-K1701 PolarHBondContact O-N 3.24Å; M1699-K1701 VanDerWaalsContact O-N 3.15Å
1702I39.5Very low36Very low99 Ų99141.8 Ų141.851%0.50872%0.718SS.*Hα-helixtrans-94.6-34.8174-65.8173.9000110.3M1699 K1704 T1705M1699-I1702 PolarHBondContact O-N 3.13Å; I1702-K1704 PolarHBondContact O-N 2.91Å; I1702-T1705 PolarHBondContact O-N 3.1Å
1703S38.6Very low35.5Very low96 Ų96141.2 Ų141.267%0.67172%0.719SS**THydrogen-bonded Turntrans-72.725.7179.380.70000115.7M1699M1699-S1703 PolarHBondContact O-N 2.82Å
1704K37Very low34.9Very low176 Ų176140.3 Ų140.377%0.76572%0.718SS**THydrogen-bonded Turntrans-138.96.3177.4-89.8-159.3171.1-166.30115I1702I1702-K1704 PolarHBondContact O-N 2.91Å
1705T33.4Very low34.7Very low117 Ų117139.9 Ų139.972%0.71872%0.721SS**SBendtrans-13941.4178.8-22.70000111.4I1702I1702-T1705 PolarHBondContact O-N 3.1Å
1706T33.2Very low34.6Very low126 Ų126139.6 Ų139.677%0.77372%0.723SS**SBendtrans-140.138.3173-37.80000110.1
1707S35.1Very low34.3Very low88 Ų88140.2 Ų140.262%0.61573%0.731SS**SBendtrans-149.4117.4175.954.30000105
1708E33.6Very low34.1Very low186 Ų186137.1 Ų137.187%0.86973%0.728SS**SBendtrans68116.7-147.8-51.5165.4-169.200109.3
1709V30.4Very low34.2Very low118 Ų118132 Ų13272%0.71573%0.725SS**  cis-126.3128.417.5176.90000112R1711V1709-R1711 WeakPolarHBondContact CG1-O 3.44Å
1710T32.9Very low34Very low147 Ų147132.2 Ų132.290%0.90273%0.729SS**  trans-142.452.8164.3-44.50000110.8
1711R31.4Very low33.8Very low218 Ų218129.6 Ų129.682%0.82373%0.729SS**  trans-164.2118.7167.4-89.7167.9-175.1167.70.7102.1V1709V1709-R1711 WeakPolarHBondContact CG1-O 3.44Å
1712T32.7Very low33.7Very low124 Ų124126.9 Ų126.976%0.76172%0.722SS**  cis-162164.837.10.70000111.4
1713T33Very low33.5Very low115 Ų115128.5 Ų128.571%0.70673%0.732SS**  trans-3.1146.9149.653.50000119.5
1714T30.7Very low33.3Very low113 Ų113130.7 Ų130.769%0.69374%0.735SS**  cis-174.9-179.21.221.10000109.1
1715T32.9Very low33Very low120 Ų120129.2 Ų129.274%0.73673%0.734SS**  trans66.8142152.741.10000118.9
1716T32.6Very low32.9Very low111 Ų111129.7 Ų129.768%0.68173%0.732SS**  cis-170.6154.9-16.712.80000109.7
1717T32.4Very low32.9Very low122 Ų122125.8 Ų125.875%0.74871%0.708SS**  trans58.115214854.80000121.3
1718T31.7Very low32.4Very low123 Ų123128.2 Ų128.276%0.75570%0.703SS**  cis-174.2152.8-20.329.10000108.3
1719A34.7Very low32.1Very low82 Ų82126 Ų12668%0.67869%0.693SS**  trans65.9160.4151.700000119
1720N33.5Very low31.9Very low141 Ų141126.5 Ų126.575%0.75469%0.691SS**  cis-161.7155.3-24.9-103.51.9000109.9
1721N34Very low31.5Very low124 Ų124127.8 Ų127.866%0.66368%0.684SS**  trans70.1138.1142.6-80.351.7000125.2
1722D35.5Very low31.2Very low118 Ų118125.2 Ų125.263%0.63168%0.681SS**  trans82.5100.2136.9-57-13.5000124.1
1723N34.6Very low31.1Very low134 Ų134124.7 Ų124.772%0.71768%0.678SS**  89.9130.4117.3-67.5-23.5000124.8
1724I33.3Very low30.9Very low141 Ų141125.9 Ų125.972%0.72368%0.678SS**  trans87.9103.5138.9-71.6167.6000121.3
1725I32.3Very low30.7Very low145 Ų145128 Ų12874%0.74468%0.684SS**  trans71.4141.2134.5-64.5179.5000121.8
1726N30.9Very low31Very low127 Ų127127.8 Ų127.868%0.67968%0.683SS**  trans89.496.5157.3-88.3-20.4000122
1727T31.5Very low30.8Very low44 Ų44127.8 Ų127.827%0.2769%0.687SS.*  99.1137.3126.875.90000121.1K1756 S1757 L1758 G1759T1727-K1756 PolarHBondContact OG1-O 3.31Å; T1727-S1757 VanDerWaalsContact CG2-N 3.29Å; T1727-S1757 PolarHBondContact OG1-N 3.37Å; T1727-L1758 CarbonylContact C-O 3.6Å; T1727-L1758 WeakPolarHBondContact CA-O 3.49Å; T1727-G1759 PolarHBondContact N-O 3.22Å; T1727-G1759 VanDerWaalsContact N-O 3.11Å
1728R26.4Very low30.7Very low139 Ų139126.7 Ų126.753%0.52568%0.682SS.*  trans-32.2145.8-176.3-35.6166.9-142.3162.910.3112.5K1756 S1757 L1758R1728-K1756 WeakPolarHBondContact O-CD 3.47Å; R1728-S1757 WeakPolarHBondContact CA-OG 3.31Å; R1728-S1757 WeakPolarHBondContact CB-OG 3.33Å; R1728-S1757 WeakPolarHBondContact CD-OG 3.46Å; R1728-S1757 WeakPolarHBondContact CG-OG 3.48Å; R1728-S1757 PolarHBondContact N-OG 2.79Å; R1728-S1757 VanDerWaalsContact N-OG 3.07Å; R1728-S1757 PolarHBondContact NH2-O 3.08Å; R1728-L1758 HydrophobicContact CG-CB 3.99Å; R1728-L1758 WeakPolarHBondContact CG-O 3.23Å; R1728-L1758 PolarHBondContact N-O 3.27Å
1729Q25.8Very low30.4Very low141 Ų141127.1 Ų127.166%0.65968%0.68SS**  -165.5162.358.6-137.8171.6-2000111.8
1730I26.3Very low29.8Very low128 Ų128130.4 Ų130.466%0.65668%0.681SS**  trans76.7116.9150.9-78.6154.5000119
1731F25.5Very low29.2Very low174 Ų174129.5 Ų129.576%0.76367%0.672SS**  trans56.5139.4140.5-74-116.2000123.8
1732Q25.7Very low28.7Very low164 Ų164130.6 Ų130.677%0.76667%0.671SS**  -133.5146.8125.2-68.3-176.6-1.600107.2
1733T29.2Very low28.2Very low113 Ų113133.6 Ų133.669%0.69368%0.679SS**  cis76.181.1-0.6-41.30000117.5
1734I28.6Very low27.7Very low139 Ų139132.5 Ų132.571%0.71367%0.673SS**  trans-142.2113.1154.5-54-179.5000111.1
1735I26.6Very low27.5Very low157 Ų157135.4 Ų135.481%0.80568%0.681SS**  -139.6147.5128.8-72.7-164.2000106.5
1736T40.2Very low27.6Very low117 Ų117132.7 Ų132.772%0.71867%0.671SS**  trans-50.6145.3-170.351.40000118.2
1737S28.7Very low27.8Very low110 Ų110131.8 Ų131.877%0.76967%0.674SS**  trans70.9158155.681.80000118.2
1738P30.3Very low28Very low99 Ų99134.1 Ų134.164%0.64369%0.692SS**  cis-119.5-179.3-10.743.7-31.1000111.8
1739D23.9Very low28.2Very low133 Ų133130.9 Ų130.971%0.71169%0.689SS**  31.3130.5126.9-46.6-11.2000118.6
1740E22.2Very low28.4Very low151 Ų151130.3 Ų130.371%0.70669%0.686SS**  cis-168.9-166.13.6-127.7-177.6155.100110.9
1741E21.2Very low28.4Very low121 Ų121130.6 Ų130.657%0.56568%0.684SS**  -4.2144.4129.3-56.3-169.7136.400117.2
1742K23.3Very low28.5Very low147 Ų147127.4 Ų127.464%0.63967%0.672SS**  cis-151.4134.411.1-113.6146.7-170.1153.10106.3
1743F24.9Very low28.6Very low181 Ų181126 Ų12679%0.79467%0.665SS**  cis58.4105.840.5-145.7-74.1000110.6
1744N24.5Very low28.6Very low112 Ų112127.6 Ų127.660%0.59967%0.668SS**  trans65.7118.6-167.4-40.4-44.4000112.8T1746N1744-T1746 HydrophobicContact CB-CG2 3.79Å
1745K29.4Very low28.5Very low202 Ų202127.7 Ų127.788%0.87867%0.665SS**  cis-113.5108.432.4-73.9-177.6177.4-178.20111.6
1746T33.9Very low28.7Very low88 Ų88125.4 Ų125.454%0.5465%0.649SS.*  7413873.462.30000112.9N1744N1744-T1746 HydrophobicContact CB-CG2 3.79Å
1747S35.7Very low28.1Very low107 Ų107121.6 Ų121.675%0.74863%0.627SS**  trans59.2123.9155.554.80000117.7
1748S35.3Very low28.1Very low93 Ų93122 Ų12265%0.6562%0.62SS**  cis-169.3172.61.551.80000110.8
1749T31.6Very low28.1Very low72 Ų72119.4 Ų119.444%0.44261%0.611SS.*  trans43.2120.4145.651.20000118.7Q768Q768-T1749 PolarHBondContact NE2-O 2.87Å
1750E28.8Very low28.3Very low129 Ų129120.6 Ų120.660%0.60362%0.617SS**  cis-177.1165.815.1-115.7146.4176.500107.9
1751Q27.9Very low28.8Very low134 Ų134120.1 Ų120.163%0.62662%0.618SS**  cis-159.4-160.62.5-144.1164.818.600110.3R772R772-Q1751 PolarHBondContact NH2-O 2.88Å
1752E26.8Very low29.1Very low107 Ų107121.7 Ų121.750%0.563%0.63SS.*  trans11.3139.8157.1-57.6-168.7173.100121.1R772R772-E1752 PolarHBondContact NH2-O 3.47Å
1753H28.5Very low29.5Very low135 Ų135118.3 Ų118.363%0.62563%0.629SS**  cis-154.6130.5-11-102.9-60.6000105.8
1754I27.3Very low29.7Very low145 Ų145117.2 Ų117.274%0.74463%0.631SS**  63.8131.483.2-70.8-176.4000114.2
1755H27.2Very low30.1Very low141 Ų141118.1 Ų118.165%0.65364%0.636SS**  cis-168-167.9-20.8-153.6-141.4000112.1
1756K30.5Very low30.3Very low109 Ų109114 Ų11447%0.47462%0.623SS.*  trans-64.3167.2172-68.5160.2-162.6138.60113.8T1727 R1728T1727-K1756 PolarHBondContact OG1-O 3.31Å; R1728-K1756 WeakPolarHBondContact O-CD 3.47Å
1757S29Very low30.3Very low38 Ų38115.8 Ų115.827%0.26663%0.63SS.*  cis-174.9-68.2-28.463.70000116.6T1727 R1728T1727-S1757 VanDerWaalsContact CG2-N 3.29Å; T1727-S1757 PolarHBondContact OG1-N 3.37Å; R1728-S1757 WeakPolarHBondContact CA-OG 3.31Å; R1728-S1757 WeakPolarHBondContact CB-OG 3.33Å; R1728-S1757 WeakPolarHBondContact CD-OG 3.46Å; R1728-S1757 WeakPolarHBondContact CG-OG 3.48Å; R1728-S1757 PolarHBondContact N-OG 2.79Å; R1728-S1757 VanDerWaalsContact N-OG 3.07Å; R1728-S1757 PolarHBondContact NH2-O 3.08Å
1758L27.9Very low30.2Very low119 Ų119116.4 Ų116.462%0.62363%0.625SS**  trans179.6156.4175.1-150.982.4000114.4T1727 R1728T1727-L1758 CarbonylContact C-O 3.6Å; T1727-L1758 WeakPolarHBondContact CA-O 3.49Å; R1728-L1758 HydrophobicContact CG-CB 3.99Å; R1728-L1758 WeakPolarHBondContact CG-O 3.23Å; R1728-L1758 PolarHBondContact N-O 3.27Å
1759G30.3Very low30.1Very low44 Ų44117.7 Ų117.745%0.45462%0.624SS.*  trans94.6155.9164.400000115.9T1727T1727-G1759 PolarHBondContact N-O 3.22Å; T1727-G1759 VanDerWaalsContact N-O 3.11Å
1760L28.9Very low30Very low157 Ų157120 Ų12082%0.82263%0.634SS**  cis-154.4142.3-4.2-156.8161.8000107.8
1761I31.3Very low30.1Very low141 Ų141120.7 Ų120.772%0.72364%0.642SS**  trans-7.9117.7173.3-55.3163.4000116.4
1762D29.1Very low30.2Very low154 Ų154114.9 Ų114.982%0.82462%0.618SS**  -171.6168.299.4-130.4-37.2000115
1763A31.2Very low30.3Very low76 Ų76114.6 Ų114.663%0.62862%0.62SS**  trans57.4104.4154.900000123.2
1764L29.2Very low30.4Very low158 Ų158112.2 Ų112.283%0.82761%0.612SS**  68110.7121.4-69.2168.8000123.7
1765N33.1Very low30.6Very low132 Ų132111 Ų11171%0.70661%0.607SS**  103.2135.7121.1-109.211.8000123.1
1766N33.4Very low30.7Very low114 Ų114110.1 Ų110.161%0.6160%0.603SS**  trans6893148.4-67.4-5.5000121.3
1767N33.7Very low30.7Very low126 Ų126113.9 Ų113.967%0.67461%0.614SS**  116.6133.895.8-82.5-4.2000120.1
1768N33.6Very low30.8Very low121 Ų121118.5 Ų118.565%0.64764%0.636SS**  trans83.397.1142-64.81.8000121.2
1769N32.6Very low30.9Very low120 Ų120119.8 Ų119.864%0.64264%0.643SS**  90109.4111-64.6-3.3000121.2
1770N30.7Very low30.9Very low119 Ų119122.7 Ų122.764%0.63665%0.652SS**  84116.5116.8-61.64.4000121.6
1771N30.8Very low30.9Very low145 Ų145123.2 Ų123.278%0.77565%0.65SS**  68.6140.1126.2-53.38.6000121.5
1772G29.7Very low30.7Very low12 Ų12121.3 Ų121.312%0.12465%0.65CS.*  134111.9113.200000115.8T1881 P1882 N1883G1772-T1881 CarbonylContact C-O 3.49Å; G1772-T1881 WeakPolarHBondContact CA-O 3.18Å; G1772-T1881 PolarHBondContact N-O 3.15Å; G1772-P1882 VanDerWaalsContact C-CD 3.4Å; G1772-P1882 VanDerWaalsContact O-CD 3.3Å; G1772-P1882 WeakPolarHBondContact O-CD 3.49Å; G1772-N1883 PolarHBondContact O-ND2 2.99Å
1773D28.9Very low30.5Very low101 Ų101120.7 Ų120.754%0.5464%0.644SS.*  trans50144.2134.5-18.8-47.8000119L1880 T1881D1773-L1880 WeakPolarHBondContact CA-O 3.47Å; D1773-L1880 PolarHBondContact N-O 2.84Å; D1773-T1881 PolarHBondContact N-O 2.85Å
1774D29.8Very low30.3Very low85 Ų85122.9 Ų122.946%0.45565%0.646SS.*  cis-168.7168.7-12.7-93.9-11.7000104.9Y1879 L1880D1774-Y1879 WeakPolarHBondContact OD2-CD1 3.38Å; D1774-L1880 WeakPolarHBondContact OD1-CD2 3.34Å
1775D30.6Very low30Very low119 Ų119124.4 Ų124.464%0.63664%0.642SS**  cis-168-165-32.6-174.824.3000107.4L1880D1775-L1880 HydrophobicContact CB-CD2 3.66Å; D1775-L1880 WeakPolarHBondContact OD1-CD2 3.33Å
1776E29.6Very low29.4Very low123 Ų123127.5 Ų127.558%0.57565%0.645SS**  trans97.8138.5140.3-98.8-163.3140.600123.5
1777R31.6Very low28.9Very low188 Ų188129.1 Ų129.171%0.70965%0.653SS**  trans70.9136.3151.1-67.5-178.3-101175-6.9119.9
1778D30.3Very low28.4Very low135 Ų135127.4 Ų127.472%0.72265%0.651SS**  cis-157.1165.2-0.3-114.4-31.6000114
1779D30.8Very low27.9Very low145 Ų145132 Ų13278%0.77566%0.659SS**  trans81.4122.7152.1-101.8-21.4000125.2
1780V29.6Very low27.7Very low105 Ų105134.6 Ų134.664%0.63667%0.665SS**  trans83.495.7147.6-174.50000121.8
1781Q28.5Very low27.5Very low168 Ų168133.2 Ų133.279%0.78566%0.664SS**  trans69.791.6136-65.3176.98.900121.7
1782S26.9Very low27.3Very low102 Ų102132.9 Ų132.971%0.71366%0.661SS**  57.7154.195.591.60000119.7
1783I26.6Very low27.4Very low140 Ų140141.2 Ų141.272%0.71870%0.696SS**  cis-161.3159.5-3.4-132.4168000110.7
1784D25.9Very low27.1Very low122 Ų122140.7 Ų140.765%0.65270%0.7SS**  trans68.9130.4153.2-73.9-1.2000126.7
1785Y23.3Very low26.9Very low191 Ų191143.4 Ų143.475%0.74971%0.708SS**  trans59.1115.5130-77.5-112.8000123.1
1786Y20.9Very low26.7Very low197 Ų197141.4 Ų141.477%0.77370%0.704SS**  44.5133.8102.2-89.6-100.9000121
1787L22Very low26.4Very low147 Ų147139.7 Ų139.777%0.7770%0.702SS**  trans40.6117.8142.4-106.281.8000120.4
1788S22.8Very low26.1Very low90 Ų90135.1 Ų135.163%0.62970%0.695SS**  65.6146.5121.2-158.80000120.5
1789R23.8Very low26Very low219 Ų219133.3 Ų133.383%0.82669%0.689SS**  trans66.3149.1170.2-66.8157.5176.4-168.9-0.9113.9
1790K28.6Very low25.7Very low174 Ų174130.5 Ų130.576%0.75768%0.68SS**  cis-140.1137.9-11.3-92.9135.2-180-178.20108.2
1791S27.2Very low25.6Very low89 Ų89131.6 Ų131.662%0.62269%0.687SS**  trans-131.9113.5162.459.30000106.2
1792I25.5Very low25.7Very low139 Ų139128.7 Ų128.771%0.71368%0.677SS**  54.988.751.5-46.8179.9000108.4
1793H32.6Very low25.6Very low187 Ų187130.2 Ų130.287%0.86667%0.669SS**  679471.1-84.8-92.5000115.1
1794S23.1Very low25.9Very low89 Ų89125.4 Ų125.462%0.62265%0.645SS**  -165132.3126.544.20000110.4
1795F23.7Very low26.2Very low142 Ų142123.9 Ų123.962%0.62363%0.631SS**  trans53.6149.6167.8-50.7134.9000120.4S2163 P2164F1795-S2163 PolarHBondContact O-OG 3.47Å; F1795-P2164 HydrophobicContact CB-CG 3.48Å; F1795-P2164 VanDerWaalsContact CB-CG 3.48Å; F1795-P2164 HydrophobicContact CD1-CG 4.14Å; F1795-P2164 HydrophobicContact CG-CG 4.15Å
1796S27.3Very low26.8Very low77 Ų77119 Ų11954%0.53861%0.612SS.*  cis47104-9.770.60000117.5
1797T24.3Very low27.8Very low88 Ų88109.9 Ų109.954%0.5458%0.577SS.*  cis-67.7169.931.754.50000116.4
1798T24.8Very low28.3Very low92 Ų92104 Ų10456%0.56455%0.546SS*.  cis-126.4-113.516.654.60000114.8K2162T1798-K2162 WeakPolarHBondContact O-CE 3.43Å; T1798-K2162 PolarHBondContact O-NZ 2.95Å
1799T27.1Very low28.6Very low97 Ų97100 Ų10060%0.59552%0.519SS*.  trans-89.3-179.2-155.250.90000114K2162T1799-K2162 WeakPolarHBondContact O-CE 3.43Å
1800S25.7Very low28.9Very low85 Ų8596.3 Ų96.359%0.59451%0.511SS*.  cis96.6130.7-2.785.90000119.1
1801T27.9Very low28.9Very low128 Ų12892 Ų9279%0.78550%0.502SS*.  cis-133.1-176.212.855.30000112.6
1802D29.6Very low29Very low107 Ų10793 Ų9357%0.57250%0.501SS*.  -158.8154.3-65.2-85.2-40.2000109.8
1803Y25.8Very low28.9Very low135 Ų13595 Ų9553%0.52950%0.5SS..  trans-174.1112.7160-99.8-66.6000107.8I1324I1324-Y1803 HydrophobicContact CD1-CE1 4.14Å; I1324-Y1803 HydrophobicContact CD1-CE2 4.23Å; I1324-Y1803 HydrophobicContact CG2-CD2 3.46Å; I1324-Y1803 VanDerWaalsContact CG2-CD2 3.46Å; I1324-Y1803 HydrophobicContact CG2-CE2 3.66Å; I1324-Y1803 HydrophobicContact CG2-CG 4.05Å
1804T31.5Very low28.7Very low38 Ų3892 Ų9223%0.23349%0.491CS..  trans-163147.5-1477.60000113.4D1265 S1266 W1267D1265-T1804 VanDerWaalsContact CB-CB 3.42Å; D1265-T1804 HydrophobicContact CB-CG2 3.22Å; S1266-T1804 CarbonylContact C-O 3.57Å; S1266-T1804 WeakPolarHBondContact CA-O 3.5Å; S1266-T1804 WeakPolarHBondContact CB-O 3.5Å; S1266-T1804 PolarHBondContact N-O 3.09Å; W1267-T1804 PolarHBondContact N-O 3.16Å
1805Y32.5Very low28.9Very low90 Ų9093.2 Ų93.235%0.35349%0.487SS..  trans-132.773.8-165.4-62.1-44.9000125.4D1265 S1266 W1267 W1321D1265-Y1805 WeakPolarHBondContact OD1-CA 3.45Å; D1265-Y1805 PolarHBondContact OD1-N 3.26Å; S1266-Y1805 VanDerWaalsContact N-C 3.29Å; W1267-Y1805 HydrophobicContact CB-CD1 3.68Å; W1267-Y1805 HydrophobicContact CB-CG 4.22Å; W1267-Y1805 AromaticContact CD1-CD1 3.19Å; W1267-Y1805 AromaticContact CD1-CE1 3.88Å; W1267-Y1805 AromaticContact CD1-CG 3.33Å; W1267-Y1805 AromaticContact CD2-CD1 3.44Å; W1267-Y1805 HydrophobicContact CD2-CD1 3.44Å; W1267-Y1805 VanDerWaalsContact CD2-CD1 3.44Å; W1267-Y1805 AromaticContact CD2-CE1 3.54Å; W1267-Y1805 HydrophobicContact CD2-CE1 3.54Å; W1267-Y1805 HydrophobicContact CD2-CG 4.36Å; W1267-Y1805 AromaticContact CE2-CD1 3.53Å; W1267-Y1805 AromaticContact CE2-CE1 3.34Å; W1267-Y1805 AromaticContact CE2-CZ 3.87Å; W1267-Y1805 HydrophobicContact CE3-CD1 4.31Å; W1267-Y1805 HydrophobicContact CE3-CE1 4.14Å; W1267-Y1805 AromaticContact CG-CD1 3.14Å; W1267-Y1805 HydrophobicContact CG-CD1 3.14Å; W1267-Y1805 AromaticContact CG-CE1 3.81Å; W1267-Y1805 HydrophobicContact CG-CE1 3.81Å; W1267-Y1805 AromaticContact CG-CG 3.75Å; W1267-Y1805 HydrophobicContact CG-CG 3.75Å; W1267-Y1805 HydrophobicContact CH2-CE1 4.3Å; W1267-Y1805 HydrophobicContact CZ2-CD1 4.38Å; W1267-Y1805 AromaticContact CZ2-CE1 3.74Å; W1267-Y1805 HydrophobicContact CZ2-CE1 3.74Å; W1267-Y1805 AromaticContact CZ2-CZ 4Å; W1267-Y1805 HydrophobicContact CZ3-CE1 4.49Å; W1267-Y1805 AromaticContact NE1-CD1 3.35Å; W1267-Y1805 AromaticContact NE1-CD2 3.95Å; W1267-Y1805 AromaticContact NE1-CE1 3.55Å; W1267-Y1805 AromaticContact NE1-CG 3.59Å; W1267-Y1805 AromaticContact NE1-CZ 3.92Å; W1321-Y1805 HydrophobicContact CZ3-CE2 4.43Å
1806Y36.5Very low29.3Very low89 Ų8994.8 Ų94.835%0.34949%0.493SS..  trans-157.9-149.9168.444.1-119000110.5F1263 R1264 D1265 S1266 W1267 N1268 T1269F1263-Y1806 WeakPolarHBondContact O-CE2 3.36Å; R1264-Y1806 VanDerWaalsContact C-CG 3.47Å; R1264-Y1806 WeakPolarHBondContact O-CE1 3.42Å; R1264-Y1806 PolarHBondContact O-OH 2.82Å; D1265-Y1806 VanDerWaalsContact C-CZ 3.45Å; D1265-Y1806 WeakPolarHBondContact CA-OH 3.3Å; D1265-Y1806 HydrophobicContact CB-CD1 3.18Å; D1265-Y1806 HydrophobicContact CB-CD2 3.9Å; D1265-Y1806 HydrophobicContact CB-CE1 2.58Å; D1265-Y1806 HydrophobicContact CB-CE2 3.42Å; D1265-Y1806 VanDerWaalsContact CB-CE2 3.42Å; D1265-Y1806 HydrophobicContact CB-CG 3.8Å; D1265-Y1806 WeakPolarHBondContact CB-OH 3.48Å; D1265-Y1806 PolarHBondContact N-OH 2.89Å; D1265-Y1806 WeakPolarHBondContact O-CD2 3.44Å; D1265-Y1806 WeakPolarHBondContact O-CE2 3.39Å; D1265-Y1806 WeakPolarHBondContact OD1-CD1 3.43Å; D1265-Y1806 WeakPolarHBondContact OD1-CE1 3.42Å; D1265-Y1806 WeakPolarHBondContact OD2-CE1 3.37Å; S1266-Y1806 CarbonylContact C-O 3.57Å; S1266-Y1806 WeakPolarHBondContact CA-O 3.47Å; W1267-Y1806 CarbonylContact C-O 3.54Å; W1267-Y1806 PolarHBondContact N-O 3.48Å; N1268-Y1806 CarbonylContact C-O 3.59Å; N1268-Y1806 WeakPolarHBondContact CA-O 3.47Å; N1268-Y1806 PolarHBondContact N-O 3.27Å; T1269-Y1806 PolarHBondContact N-O 2.94Å
1807P41.5Very low29.6Very low5 Ų595.8 Ų95.83%0.03250%0.498CS..  cis-119.1-116.718.250.2-29.2000107.5Y1262 F1263 N1268 T1269Y1262-P1807 CarbonylContact C-O 3.59Å; Y1262-P1807 WeakPolarHBondContact CD1-O 3.45Å; Y1262-P1807 WeakPolarHBondContact CD2-O 3.48Å; Y1262-P1807 WeakPolarHBondContact CE1-O 3.37Å; Y1262-P1807 WeakPolarHBondContact CE2-O 3.41Å; Y1262-P1807 CarbonylContact O-C 3.57Å; Y1262-P1807 WeakPolarHBondContact O-CA 3.44Å; Y1262-P1807 VanDerWaalsContact O-O 3.09Å; F1263-P1807 HydrophobicContact CD1-CB 3.59Å; F1263-P1807 HydrophobicContact CE1-CB 4.24Å; F1263-P1807 HydrophobicContact CG-CB 4.42Å; N1268-P1807 PolarHBondContact ND2-O 3.3Å; N1268-P1807 VanDerWaalsContact O-CD 3.32Å; N1268-P1807 WeakPolarHBondContact O-CD 3.43Å; T1269-P1807 HydrophobicContact CG2-CG 4.04Å; T1269-P1807 WeakPolarHBondContact OG1-CD 3.34Å; T1269-P1807 WeakPolarHBondContact OG1-CG 3.26Å
1808N31.9Very low29.9Very low24 Ų2499.7 Ų99.713%0.12851%0.51CS..  -155.9147.8-97.3-159.634.8000119.2L1254 G1258 P1259 K1260 F1263L1254-N1808 VanDerWaalsContact CD1-O 3.28Å; L1254-N1808 WeakPolarHBondContact CD1-O 3.09Å; G1258-N1808 PolarHBondContact O-OD1 3.48Å; G1258-N1808 VanDerWaalsContact O-OD1 3.1Å; P1259-N1808 WeakPolarHBondContact CA-OD1 3.2Å; P1259-N1808 PolarHBondContact O-ND2 3.29Å; P1259-N1808 PolarHBondContact O-OD1 2.92Å; P1259-N1808 VanDerWaalsContact O-OD1 3.08Å; K1260-N1808 PolarHBondContact N-OD1 3.1Å; F1263-N1808 VanDerWaalsContact CA-CB 3.46Å; F1263-N1808 HydrophobicContact CB-CB 3.54Å; F1263-N1808 WeakPolarHBondContact CB-ND2 3.45Å; F1263-N1808 WeakPolarHBondContact CB-OD1 3.25Å; F1263-N1808 HydrophobicContact CD1-CB 3.83Å; F1263-N1808 HydrophobicContact CD2-CB 4.17Å; F1263-N1808 WeakPolarHBondContact CD2-ND2 3.11Å; F1263-N1808 HydrophobicContact CG-CB 3.57Å; F1263-N1808 VanDerWaalsContact CG-CG 3.43Å; F1263-N1808 VanDerWaalsContact CG-ND2 3.27Å; F1263-N1808 WeakPolarHBondContact CG-ND2 3.33Å; F1263-N1808 PolarHBondContact N-OD1 2.88Å
1809A30Very low30Very low7 Ų7101.5 Ų101.56%0.05852%0.521CS..  174.9-177.9120.200000106L1254 G1258L1254-A1809 CarbonylContact C-O 3.38Å; L1254-A1809 HydrophobicContact CD1-CB 3.62Å; L1254-A1809 HydrophobicContact CD2-CB 3.68Å; L1254-A1809 HydrophobicContact CG-CB 3.43Å; L1254-A1809 VanDerWaalsContact CG-CB 3.43Å; G1258-A1809 CarbonylContact C-O 2.87Å; G1258-A1809 WeakPolarHBondContact CA-O 3.18Å
1810H30Very low30Very low141 Ų141102.8 Ų102.865%0.65353%0.529SS*.  cis-147.4163-16.8-91.2-45.7000104.6P1259P1259-H1810 WeakPolarHBondContact CD-O 3.47Å
1811S29.1Very low29.8Very low82 Ų82103.8 Ų103.857%0.57354%0.536SS*.  cis-169.3-172.3-19.265.60000105.1
1812N27.8Very low29.6Very low110 Ų110106.2 Ų106.259%0.58854%0.538SS*.  cis-164.4-176.5-10-153.8-14.4000109.2
1813Y24.1Very low29.2Very low181 Ų181107.7 Ų107.771%0.7155%0.551SS**  trans71.8150.5154.2-63.1-43.9000120
1814N28.5Very low29.3Very low124 Ų124107.5 Ų107.566%0.66356%0.555SS**  cis-158168.910.5-110.1-13.5000109.8
1815Q27.9Very low29Very low116 Ų116114.9 Ų114.954%0.54258%0.58SS.*  cis-174.1159.1-26.8-126.8-178.733.200111.1
1816K32.3Very low28.6Very low174 Ų174115.6 Ų115.676%0.75759%0.59SS**  trans72.8168.1150.2-72.2168.2172.9149.50120.3
1817P33.6Very low28.3Very low99 Ų99116 Ų11664%0.64361%0.606SS**  -147.7175.1-5344.5-27.2000118.4
1818Q30Very low27.6Very low170 Ų170123.5 Ų123.579%0.79464%0.64SS**  trans80.9149.1142.2-85.8165.6-20.700125.1
1819T27.4Very low27.2Very low130 Ų130127.8 Ų127.880%0.79867%0.668SS**  trans63.5148.6163.447.70000120.1
1820T26Very low27Very low124 Ų124134 Ų13476%0.76170%0.7SS**  cis-167.5166-428.80000109.9
1821S22.4Very low26.7Very low105 Ų105135.1 Ų135.173%0.73470%0.703SS**  trans66.1109.1159.448.50000123.5
1822Q22.6Very low26.6Very low179 Ų179135 Ų13584%0.83670%0.695SS**  trans63.4169.3130.9-69.2-178.3-16.100122.8
1823V22.3Very low26.8Very low139 Ų139134.8 Ų134.884%0.84269%0.688SS**  trans75.1111.2-170.5-171.70000113.3
1824Q26.9Very low27.2Very low131 Ų131129.8 Ų129.861%0.61268%0.677SS**  cis84.2140.2-2.8-158.8175.1-19.200118.6
1825Y25.3Very low27.3Very low192 Ų192132.9 Ų132.975%0.75368%0.68SS**  trans74.1144.2-164.1-69.9-101.7000112.2
1826N25.9Very low27.5Very low105 Ų105131.7 Ų131.756%0.56168%0.681SS**  53.3130.361.3-71.6-20.4000110.5N2171N1826-N2171 PolarHBondContact OD1-ND2 3.33Å
1827S29.1Very low27.5Very low97 Ų97129 Ų12968%0.67868%0.675SS**  cis-171.51773555.30000112.3
1828H25.9Very low27.7Very low163 Ų163131.8 Ų131.876%0.75568%0.681SS**  trans34.8115.3149.3-65.4-61.1000121.7
1829T24.8Very low28.1Very low115 Ų115127.4 Ų127.471%0.70667%0.668SS**  trans71.9128.3135.4660000122
1830N24.9Very low28.3Very low137 Ų137128 Ų12873%0.73367%0.666SS**  trans73137.7149.4-58.5-36.5000121.7
1831K24.2Very low28.6Very low165 Ų165126.7 Ų126.772%0.71767%0.668SS**  trans58.1122.8150.6-65.6175.4-179.7179.20120.5
1832I26.9Very low29.1Very low79 Ų79125.8 Ų125.841%0.40567%0.666SS.*  105.714894.8-75.2174.5000116.7Q1864 L1866I1832-Q1864 WeakPolarHBondContact O-CB 3.33Å; I1832-L1866 HydrophobicContact CD1-CD2 4.34Å; I1832-L1866 HydrophobicContact CG1-CB 4.44Å
1833K32Very low29.5Very low105 Ų105125 Ų12546%0.45767%0.666SS.*  trans29.3110.8170.1-122.3154.5-179.3158.70130.6N1863 Q1864 K1865 L1866 T1867K1833-N1863 CarbonylContact C-O 3.48Å; K1833-Q1864 VanDerWaalsContact CA-C 3.43Å; K1833-Q1864 VanDerWaalsContact N-C 3.32Å; K1833-K1865 VanDerWaalsContact CA-O 3.27Å; K1833-K1865 WeakPolarHBondContact CA-O 3.25Å; K1833-K1865 WeakPolarHBondContact CB-O 3.32Å; K1833-K1865 WeakPolarHBondContact CG-O 3.06Å; K1833-K1865 PolarHBondContact N-O 3.2Å; K1833-L1866 WeakPolarHBondContact CD-O 3.41Å; K1833-L1866 WeakPolarHBondContact CE-O 3.39Å; K1833-L1866 PolarHBondContact NZ-O 2.56Å; K1833-T1867 PolarHBondContact NZ-O 2.93Å
1834V31.9Very low30Very low76 Ų76122.5 Ų122.546%0.46166%0.655SS.*  trans33.5139.9133.2-165.20000123N1863 Q1864V1834-N1863 PolarHBondContact N-O 2.84Å; V1834-Q1864 VanDerWaalsContact CG2-O 3.27Å; V1834-Q1864 WeakPolarHBondContact CG2-O 3.4Å; V1834-Q1864 PolarHBondContact N-O 2.86Å
1835Y30.3Very low30.2Very low189 Ų189123.2 Ų123.274%0.74166%0.658SS**  166.5174.1123.7-98.4-83.9000118.5
1836T33Very low30.5Very low91 Ų91121.6 Ų121.656%0.55866%0.658SS**  trans-61.4-166.7-170.6490000121.3
1837N31.4Very low30.7Very low119 Ų119120.6 Ų120.664%0.63666%0.659SS**  cis-164.5153.3-6.5-120.6-9.1000114.6
1838M39.3Very low30.9Very low156 Ų156122.5 Ų122.577%0.76866%0.661SS**  trans43-168.4133.9-101.2172.817900121.4
1839P36.8Very low31.1Very low79 Ų79120.9 Ų120.951%0.51366%0.658SS.*  cis-137167.24.442.1-22.8000119.7
1840D33.2Very low31.4Very low143 Ų143121 Ų12177%0.76566%0.655SS**  trans49.5162.5142.6-49-20.8000122
1841A32.4Very low31.7Very low96 Ų96120.7 Ų120.779%0.79365%0.653SS**  cis-159178.614.100000109.1
1842A33.1Very low31.9Very low85 Ų85120.9 Ų120.970%0.70265%0.65SS**  cis-176.8-171.4-27.800000108.6
1843I30.4Very low32.1Very low162 Ų162125.5 Ų125.583%0.83166%0.664SS**  trans73.7124.9170.4-51.9175.9000115.6
1844S31.8Very low31.9Very low88 Ų88125.9 Ų125.962%0.61567%0.671SS**  cis-166.2-171.2-16.763.80000106.7
1845Q32.4Very low31.9Very low145 Ų145128.9 Ų128.968%0.67868%0.679SS**  cis-160.7176.9-4.7-126.2154.1-64.300104
1846H30.7Very low31.7Very low159 Ų159127 Ų12774%0.73668%0.675SS**  cis-159.8179.22.3-130.7-21000105.3
1847S30.9Very low31.5Very low84 Ų84129.7 Ų129.759%0.58769%0.686SS**  cis-156.6-178.2-4.857.60000108.7
1848N32.7Very low31.2Very low136 Ų136132.3 Ų132.373%0.72769%0.692SS**  trans53.3121.5163.5-69.612.6000120.8
1849N29.2Very low30.7Very low130 Ų130131.3 Ų131.370%0.69569%0.688SS**  cis-163.7164.9-20.4-128.23000113.5
1850N32.4Very low30.1Very low117 Ų117131.9 Ų131.963%0.62669%0.694SS**  trans81.297.3156.6-60.5-7.9000120.8
1851N30.4Very low29.7Very low131 Ų131129.5 Ų129.570%0.70169%0.689SS**  83133.2124.2-55.3-14.7000119.4
1852Y29Very low29.4Very low168 Ų168132.3 Ų132.366%0.65969%0.685SS**  cis-160.4119.23.8-145.1-111.3000115.8
1853Y31.9Very low29Very low177 Ų177132.2 Ų132.269%0.69467%0.673SS**  trans64153.6139.6-70.8-132.6000122.8
1854D26.6Very low28.7Very low112 Ų112128.9 Ų128.960%0.59965%0.654SS**  cis-173.2161.4-25.2-164.4-6.2000113.1
1855H32.6Very low28.3Very low139 Ų139130 Ų13064%0.64465%0.648SS**  trans80.7164.4167.4-68.546000122.8
1856K26.4Very low27.8Very low149 Ų149128.3 Ų128.365%0.64864%0.643SS**  cis-174.1156.2-49.8-99.5162.5-145.6165.50115.9
1857N27.2Very low27.4Very low149 Ų149124.5 Ų124.580%0.79763%0.631SS**  trans68.3116.2153.6-75.4-9.6000128.2
1858K26.2Very low27Very low174 Ų174128.3 Ų128.376%0.75764%0.637SS**  trans68.7113.1142.3-84.8-168.6171.3-1770127.6
1859I28Very low26.5Very low135 Ų135132 Ų13269%0.69264%0.642SS**  trans72.3123.3131.4-60.2170.9000124.1
1860S25.7Very low26.5Very low90 Ų90130.3 Ų130.363%0.62964%0.639SS**  trans92.5140.4149.6-166.60000124.4
1861S24.3Very low26.4Very low94 Ų94133 Ų13366%0.65765%0.647SS**  trans78.4122.914836.50000126
1862E26.2Very low26.8Very low154 Ų154131.1 Ų131.172%0.7264%0.642SS**  trans58.1140.1138.2-73.3-145122.700128.8
1863N25.1Very low26.9Very low84 Ų84128.3 Ų128.345%0.44964%0.644SS.*  trans70.4119.7137.1-81.7-43.1000127.7K1833 V1834K1833-N1863 CarbonylContact C-O 3.48Å; V1834-N1863 PolarHBondContact N-O 2.84Å
1864Q23.5Very low26.6Very low92 Ų92127.7 Ų127.743%0.4365%0.648SS.*  trans78.8-161.4139-66.3-16343.700122.6I1832 K1833 V1834I1832-Q1864 WeakPolarHBondContact O-CB 3.33Å; K1833-Q1864 VanDerWaalsContact CA-C 3.43Å; K1833-Q1864 VanDerWaalsContact N-C 3.32Å; V1834-Q1864 VanDerWaalsContact CG2-O 3.27Å; V1834-Q1864 WeakPolarHBondContact CG2-O 3.4Å; V1834-Q1864 PolarHBondContact N-O 2.86Å
1865K22.2Very low26.7Very low111 Ų111128.1 Ų128.148%0.48366%0.655SS.*  trans-104.7168.3-138.9-50.6143.7174.5146.20119.1K1833K1833-K1865 VanDerWaalsContact CA-O 3.27Å; K1833-K1865 WeakPolarHBondContact CA-O 3.25Å; K1833-K1865 WeakPolarHBondContact CB-O 3.32Å; K1833-K1865 WeakPolarHBondContact CG-O 3.06Å; K1833-K1865 PolarHBondContact N-O 3.2Å
1866L21.9Very low26.6Very low109 Ų109127.7 Ų127.757%0.57166%0.657SS**  trans92.8130.4138.1-117.774.9000121.7I1832 K1833I1832-L1866 HydrophobicContact CD1-CD2 4.34Å; I1832-L1866 HydrophobicContact CG1-CB 4.44Å; K1833-L1866 WeakPolarHBondContact CD-O 3.41Å; K1833-L1866 WeakPolarHBondContact CE-O 3.39Å; K1833-L1866 PolarHBondContact NZ-O 2.56Å
1867T22.4Very low26.8Very low80 Ų80127 Ų12749%0.49166%0.661SS.*  trans63157.5155.1790000120.8K1833K1833-T1867 PolarHBondContact NZ-O 2.93Å
1868F22.3Very low27Very low164 Ų164124 Ų12472%0.71965%0.649SS**  cis-153.6174.99-100.8-62.1000111.2
1869Y23.7Very low27.1Very low212 Ų212123.8 Ų123.883%0.83165%0.645SS**  trans90.3151.1153.2-68.8-65.3000123
1870P28.4Very low27.1Very low96 Ų96121.3 Ų121.362%0.62363%0.633SS**  trans-126.9177.4-175.346.4-33.3000117.1
1871H30.3Very low27.5Very low173 Ų173120.8 Ų120.880%0.80163%0.626SS**  trans56.2173.2151.8-77.7-58.4000120.9
1872P38.4Very low27.9Very low91 Ų91119.9 Ų119.959%0.59162%0.618SS**  cis-87.5-126-13.341.9-36.5000109.3
1873P30.9Very low28Very low109 Ų109117.2 Ų117.271%0.70861%0.608SS**  cis-66.9-175.9-20.6-21.237.9000114.1
1874E27.1Very low28.1Very low164 Ų164120.3 Ų120.377%0.76662%0.62SS**  cis77.4103.89.8-54.2176.5168.100116.2
1875T28.1Very low28.3Very low122 Ų122120.5 Ų120.575%0.74862%0.623SS**  cis-166.1159.84839.70000108.3
1876D29.4Very low28.6Very low129 Ų129126.2 Ų126.269%0.6964%0.643SS**  cis-158144.3-2.3-110.6-4.2000112.3
1877N30.9Very low28.8Very low135 Ų135124.6 Ų124.672%0.72264%0.635SS**  trans71.1151.6148.9-69.7-52000123
1878P32.1Very low29.1Very low86 Ų86127.5 Ų127.556%0.55864%0.641SS**  trans-140.6-141.8-141.942.7-19.5000115.2
1879Y28.6Very low29.4Very low170 Ų170127.2 Ų127.267%0.66765%0.646SS**  trans71.9113.6178.5-44.6-67.3000115.3D1774D1774-Y1879 WeakPolarHBondContact OD2-CD1 3.38Å
1880L28.8Very low29.6Very low83 Ų83120 Ų12044%0.43563%0.625SS.*  cis104.590.98-153.191.7000117.2D1773 D1774 D1775D1773-L1880 WeakPolarHBondContact CA-O 3.47Å; D1773-L1880 PolarHBondContact N-O 2.84Å; D1774-L1880 WeakPolarHBondContact OD1-CD2 3.34Å; D1775-L1880 HydrophobicContact CB-CD2 3.66Å; D1775-L1880 WeakPolarHBondContact OD1-CD2 3.33Å
1881T32.2Very low29.6Very low79 Ų79123 Ų12349%0.48563%0.629SS.*  trans70.8-159.9149.964.30000118.7G1772 D1773G1772-T1881 CarbonylContact C-O 3.49Å; G1772-T1881 WeakPolarHBondContact CA-O 3.18Å; G1772-T1881 PolarHBondContact N-O 3.15Å; D1773-T1881 PolarHBondContact N-O 2.85Å
1882P33.9Very low29.6Very low74 Ų74122.3 Ų122.348%0.48163%0.63SS.*  -75-95.1-59.4-17.527.1000114.4G1772G1772-P1882 VanDerWaalsContact C-CD 3.4Å; G1772-P1882 VanDerWaalsContact O-CD 3.3Å; G1772-P1882 WeakPolarHBondContact O-CD 3.49Å
1883N27.2Very low29.1Very low98 Ų98123.5 Ų123.552%0.52463%0.632SS.*  cis-162.7139.4-13.3-122-27.2000105.2G1772G1772-N1883 PolarHBondContact O-ND2 2.99Å
1884H27.6Very low29.1Very low150 Ų150124.5 Ų124.569%0.69463%0.631SS**  cis-171.6165.8-19-141.1-158.2000107.4
1885I28.1Very low29.1Very low96 Ų96125.7 Ų125.749%0.49263%0.634SS.*  trans12.6114.2145.7-57.9175.4000117.4D1887I1885-D1887 HydrophobicContact CG2-CB 4.01Å; I1885-D1887 WeakPolarHBondContact CG2-OD1 3.17Å
1886Y27.8Very low29.1Very low231 Ų231124.4 Ų124.491%0.90663%0.63SS**  -136.2147.5105.4-98.1-92.7000109.3
1887D27.6Very low29.1Very low74 Ų74123.4 Ų123.440%0.39663%0.625SS.*  cis-173.3167.7-39.6-149.36.1000105I1885I1885-D1887 HydrophobicContact CG2-CB 4.01Å; I1885-D1887 WeakPolarHBondContact CG2-OD1 3.17Å
1888K28.9Very low29Very low141 Ų141125.2 Ų125.261%0.61363%0.626SS**  trans-0.7146.2147.4-57.7164.1-164.380.90118.4
1889L27.9Very low28.9Very low158 Ų158125.4 Ų125.483%0.82763%0.629SS**  174.2143.1100.4-99.2112.5000109.6
1890C28.4Very low28.9Very low60 Ų60126.1 Ų126.141%0.40563%0.631SS.*  cis-176.2153-20.3-122.40000111.3
1891K28Very low28.8Very low159 Ų159131 Ų13169%0.69164%0.644SS**  trans47.3121.5142.8-59.5163.1-176.6176.60119.6
1892L29.7Very low28.8Very low159 Ų159130.6 Ų130.683%0.83266%0.655SS**  -168.7111.894.9-87.5146000106.1
1893D27.8Very low28.4Very low117 Ų117133 Ų13363%0.62666%0.662SS**  97.5140.559.3-85.9-31.6000113.4
1894N30.4Very low28.3Very low130 Ų130136.7 Ų136.770%0.69568%0.676SS**  trans85.5115.4158.8-68.6-46.3000122.3
1895F27.3Very low28.2Very low189 Ų189138.6 Ų138.683%0.82969%0.685SS**  trans72.4147145-82-116.5000117.7
1896S29.6Very low28.1Very low94 Ų94140.3 Ų140.366%0.65769%0.692SS**  cis177.4145.4-17.1-123.30000105.7
1897D28.4Very low28.1Very low109 Ų109139.1 Ų139.158%0.58369%0.685SS**  cis-164.1163.8-5.1-168.10.2000107.8
1898K28.6Very low28Very low173 Ų173145 Ų14575%0.75271%0.707SS**  trans60.7144.1163.8-72139.5-175.2146.20117.7
1899S29.5Very low27.9Very low89 Ų89149.1 Ų149.162%0.62272%0.719SS**  cis-152.2121.60.1179.50000107.1
1900R29.1Very low28Very low185 Ų185144.4 Ų144.470%0.69871%0.709SS**  47.9137.385.1-65.1172.4150.4-167.5-3.1113.8
1901R27.6Very low27.8Very low187 Ų187147.6 Ų147.671%0.70673%0.726SS**  cis-173.5164-3.8-107.9175.5-51.9175.910.7107.8I1903R1901-I1903 HydrophobicContact CB-CD1 4.27Å; R1901-I1903 HydrophobicContact CG-CD1 4.22Å
1902G30.6Very low27.8Very low70 Ų70147.2 Ų147.272%0.72273%0.725SS**  trans138.278.7168.600000112.3
1903I26Very low27.6Very low124 Ų124149.2 Ų149.264%0.63672%0.723SS**  81.6113.854.3-60.7170.9000112.5R1901R1901-I1903 HydrophobicContact CB-CD1 4.27Å; R1901-I1903 HydrophobicContact CG-CD1 4.22Å
1904E25.2Very low27.4Very low175 Ų175153 Ų15382%0.81873%0.729SS**  trans49123.6157.6-67.6146.6-179.100118.9
1905E26.7Very low27.2Very low190 Ų190151.2 Ų151.289%0.88872%0.715SS**  -148.2126.268.2-81-175.8139.800116
1906E25.2Very low26.9Very low133 Ų133144 Ų14462%0.62169%0.687SS**  39.9102.6129.1-72.9-79.886.700123
1907R28.1Very low26.8Very low205 Ų205141.2 Ų141.277%0.77467%0.67SS**  56138.3123.4-70.4-177.5172.2124-9.5122.5
1908K25.9Very low26.6Very low197 Ų197141.7 Ų141.786%0.85766%0.664SS**  trans82.868.3162.7-62.1173.3-178.1170.10118.6
1909R26.2Very low26.4Very low228 Ų228137.1 Ų137.186%0.8665%0.648SS**  trans-165152.9139.8-105.6165.8-76.51800.2107
1910G29.3Very low26.1Very low60 Ų60135.2 Ų135.262%0.61963%0.633SS**  cis149.376.24.600000108.3
1911V25.4Very low25.9Very low127 Ų127136.1 Ų136.177%0.7764%0.637SS**  80140.184.1175.60000112.4
1912F26.4Very low25.8Very low151 Ų151132.5 Ų132.566%0.66263%0.629SS**  trans65.987.5-165.1-73.3-79.1000114.5
1913Y25.6Very low25.5Very low201 Ų201135.6 Ų135.679%0.78862%0.624SS**  62.9108.662.2-81.9-85.6000116.3
1914R25.2Very low25.4Very low197 Ų197139.7 Ų139.774%0.74363%0.632SS**  trans-109.1118.3157.2-91.7-171.9178-175.71.8110.5
1915K24.9Very low25.5Very low92 Ų92134.7 Ų134.740%0.461%0.613SS.*  trans60.1109.9131.6-74.2171.5159.4172.40120.7M799 F802M799-K1915 HydrophobicContact CG-CD 3.82Å; M799-K1915 HydrophobicContact CG-CG 4.38Å; M799-K1915 HydrophobicContact SD-CB 3.63Å; M799-K1915 HydrophobicContact SD-CD 3.73Å; M799-K1915 HydrophobicContact SD-CG 3.99Å; F802-K1915 HydrophobicContact CD1-CD 4.12Å; F802-K1915 HydrophobicContact CE1-CD 4.02Å; F802-K1915 VanDerWaalsContact CZ-NZ 3.26Å
1916C22.1Very low25.6Very low38 Ų38130.1 Ų130.126%0.25760%0.595SS.*  96.2103.3114.8-66.80000123N795 Y796 S797 M799N795-C1916 VanDerWaalsContact CB-N 3.35Å; Y796-C1916 PolarHBondContact O-SG 3.04Å; Y796-C1916 VanDerWaalsContact O-SG 3.34Å; S797-C1916 WeakPolarHBondContact CA-SG 3.25Å; S797-C1916 VanDerWaalsContact CB-SG 3.55Å; M799-C1916 HydrophobicContact CB-CB 4.4Å; M799-C1916 WeakPolarHBondContact CB-SG 3.28Å; M799-C1916 HydrophobicContact SD-CB 3.81Å
1917A26.7Very low25.7Very low35 Ų35130.8 Ų130.829%0.28960%0.598SS.*  trans-161.498154.500000114D794 N795 N1919D794-A1917 PolarHBondContact O-N 3.08Å; D794-A1917 VanDerWaalsContact O-N 3.08Å; N795-A1917 CarbonylContact O-C 3.41Å; N795-A1917 WeakPolarHBondContact O-CA 3.48Å; N795-A1917 PolarHBondContact O-N 3.02Å; A1917-N1919 PolarHBondContact O-N 3.46Å
1918Y23.6Very low25.7Very low119 Ų119124.4 Ų124.447%0.46759%0.589SS.*  trans-65.8115.2-179.1-107.7-77.1000113.1N795 Y796 S797N795-Y1918 PolarHBondContact O-N 3.35Å; Y796-Y1918 VanDerWaalsContact CB-CG 3.48Å; Y796-Y1918 AromaticContact CD1-CD1 2.13Å; Y796-Y1918 HydrophobicContact CD1-CD1 2.13Å; Y796-Y1918 AromaticContact CD1-CD2 2.3Å; Y796-Y1918 HydrophobicContact CD1-CD2 2.3Å; Y796-Y1918 AromaticContact CD1-CE1 2.32Å; Y796-Y1918 HydrophobicContact CD1-CE1 2.32Å; Y796-Y1918 AromaticContact CD1-CE2 2.34Å; Y796-Y1918 HydrophobicContact CD1-CE2 2.34Å; Y796-Y1918 AromaticContact CD1-CG 2.13Å; Y796-Y1918 HydrophobicContact CD1-CG 2.13Å; Y796-Y1918 AromaticContact CD1-CZ 2.35Å; Y796-Y1918 AromaticContact CD2-CD1 2.3Å; Y796-Y1918 HydrophobicContact CD2-CD1 2.3Å; Y796-Y1918 AromaticContact CD2-CD2 3.39Å; Y796-Y1918 HydrophobicContact CD2-CD2 3.39Å; Y796-Y1918 AromaticContact CD2-CE1 3.36Å; Y796-Y1918 HydrophobicContact CD2-CE1 3.36Å; Y796-Y1918 HydrophobicContact CD2-CE2 4.01Å; Y796-Y1918 AromaticContact CD2-CG 2.32Å; Y796-Y1918 HydrophobicContact CD2-CG 2.32Å; Y796-Y1918 AromaticContact CD2-CZ 3.99Å; Y796-Y1918 AromaticContact CE1-CD1 2.32Å; Y796-Y1918 HydrophobicContact CE1-CD1 2.32Å; Y796-Y1918 AromaticContact CE1-CD2 3.35Å; Y796-Y1918 HydrophobicContact CE1-CD2 3.35Å; Y796-Y1918 AromaticContact CE1-CE1 3.36Å; Y796-Y1918 HydrophobicContact CE1-CE1 3.36Å; Y796-Y1918 AromaticContact CE1-CE2 3.96Å; Y796-Y1918 HydrophobicContact CE1-CE2 3.96Å; Y796-Y1918 AromaticContact CE1-CG 2.33Å; Y796-Y1918 HydrophobicContact CE1-CG 2.33Å; Y796-Y1918 AromaticContact CE1-CZ 3.96Å; Y796-Y1918 AromaticContact CE2-CD1 2.34Å; Y796-Y1918 HydrophobicContact CE2-CD1 2.34Å; Y796-Y1918 AromaticContact CE2-CD2 4Å; Y796-Y1918 HydrophobicContact CE2-CD2 4Å; Y796-Y1918 AromaticContact CE2-CE1 3.96Å; Y796-Y1918 HydrophobicContact CE2-CE1 3.96Å; Y796-Y1918 AromaticContact CE2-CG 2.38Å; Y796-Y1918 HydrophobicContact CE2-CG 2.38Å; Y796-Y1918 AromaticContact CG-CD1 2.13Å; Y796-Y1918 HydrophobicContact CG-CD1 2.13Å; Y796-Y1918 AromaticContact CG-CD2 2.32Å; Y796-Y1918 HydrophobicContact CG-CD2 2.32Å; Y796-Y1918 AromaticContact CG-CE1 2.33Å; Y796-Y1918 HydrophobicContact CG-CE1 2.33Å; Y796-Y1918 AromaticContact CG-CE2 2.38Å; Y796-Y1918 HydrophobicContact CG-CE2 2.38Å; Y796-Y1918 AromaticContact CG-CG 2.13Å; Y796-Y1918 HydrophobicContact CG-CG 2.13Å; Y796-Y1918 AromaticContact CG-CZ 2.38Å; Y796-Y1918 AromaticContact CZ-CD1 2.35Å; Y796-Y1918 AromaticContact CZ-CD2 3.99Å; Y796-Y1918 AromaticContact CZ-CE1 3.96Å; Y796-Y1918 AromaticContact CZ-CG 2.38Å; S797-Y1918 WeakPolarHBondContact OG-CD2 3.41Å
1919N25.8Very low25.8Very low76 Ų76116.9 Ų116.941%0.40656%0.557SS.*  trans-141.5114.2144.1-93.7-58.8000111.8Y792 Y796 A1917Y792-N1919 WeakPolarHBondContact CE1-ND2 3.37Å; Y796-N1919 VanDerWaalsContact CE2-N 3.31Å; A1917-N1919 PolarHBondContact O-N 3.46Å
1920T22.8Very low26.2Very low50 Ų50112.2 Ų112.231%0.30755%0.548SS..  68.184.284.9-49.30000112.7Y796 R1949Y796-T1920 PolarHBondContact OH-N 3.36Å; Y796-T1920 PolarHBondContact OH-OG1 3.33Å; T1920-R1949 PolarHBondContact OG1-NH1 2.89Å; T1920-R1949 PolarHBondContact OG1-NH2 3.44Å
1921Y24.3Very low26.6Very low203 Ų203113.8 Ų113.880%0.79654%0.543SS*.  trans171164.4144.8-110.7-127000106.9
1922Q25.2Very low26.9Very low112 Ų112113.8 Ų113.852%0.52353%0.532SS..  cis-164.9162.7-46.1-152.3165.1-9800107.2
1923Q25.2Very low27.4Very low135 Ų135110.1 Ų110.163%0.63153%0.53SS*.  trans31.8105.3145-81.9166.5-1.300118.3
1924R24.4Very low27.9Very low210 Ų210103.7 Ų103.779%0.79251%0.509SS*.  149.9159.590-87.6155.7-178.2-164.72.5106.4
1925T25.9Very low28.5Very low69 Ų6995.9 Ų95.942%0.42349%0.487SS..  cis-156.6162-1.3-1.30000109.3P1535P1535-T1925 WeakPolarHBondContact CG-O 3.4Å
1926N28.8Very low29.4Very low95 Ų9594 Ų9451%0.50848%0.483SS..  trans72108.4151-58.5-16.7000123.3
1927Q28.7Very low30.3Very low147 Ų14795.4 Ų95.469%0.68749%0.486SS*.  88.465.5124.3-63.6-178.53.400123
1928A28.3Very low31Very low71 Ų7196.9 Ų96.959%0.58749%0.491SS*.  57.2105.1110.600000121.8K1500K1500-A1928 PolarHBondContact NZ-O 2.8Å
1929H28.1Very low31.9Very low39 Ų3996.4 Ų96.418%0.18150%0.496CS..  -151.5101.2124.3-89.5-81.3000107.5K1500 E1527K1500-H1929 WeakPolarHBondContact CG-NE2 3.25Å; K1500-H1929 PolarHBondContact NZ-CD2 2.94Å; K1500-H1929 PolarHBondContact NZ-NE2 2.66Å; E1527-H1929 IonicContact OE1-CD2 3.44Å
1930L33.9Very low33.1Very low130 Ų13095.8 Ų95.868%0.68150%0.495SS*.  trans-148.9152.8179.4-137.979.9000111.8D1934L1930-D1934 HydrophobicContact CD2-CB 4.48Å
1931N36.5Very low34.1Very low93 Ų93100.2 Ų100.250%0.49751%0.51SS..  trans-68.9147.3-174.3-64.7-31.9000112.7A1933 D1934 A1935N1931-A1933 VanDerWaalsContact C-N 3.29Å; N1931-A1933 PolarHBondContact O-N 2.04Å; N1931-D1934 WeakPolarHBondContact CB-OD2 3.02Å; N1931-D1934 PolarHBondContact ND2-OD2 3.46Å; N1931-D1934 PolarHBondContact O-N 3.03Å; N1931-A1935 VanDerWaalsContact O-CB 3.25Å; N1931-A1935 WeakPolarHBondContact O-CB 3.06Å; N1931-A1935 PolarHBondContact O-N 2.91Å
1932F31.8Very low35Very low126 Ų12696.3 Ų96.355%0.55350%0.499SS*.Hα-helixtrans-66.3-29.7179.9-169.6-120000113Y1672 V1936Y1672-F1932 HydrophobicContact CE1-CE2 4.35Å; Y1672-F1932 HydrophobicContact CE2-CE1 4.36Å; Y1672-F1932 HydrophobicContact CE2-CZ 4.3Å; Y1672-F1932 AromaticContact CZ-CE2 3.85Å; Y1672-F1932 AromaticContact CZ-CZ 3.98Å; Y1672-F1932 WeakPolarHBondContact OH-CD2 3.42Å; Y1672-F1932 VanDerWaalsContact OH-CE2 3.24Å; Y1672-F1932 WeakPolarHBondContact OH-CE2 3.14Å; Y1672-F1932 WeakPolarHBondContact OH-CG 3.48Å; F1932-V1936 HydrophobicContact CD1-CG2 4.44Å; F1932-V1936 HydrophobicContact CD2-CG2 4.44Å; F1932-V1936 HydrophobicContact CE1-CG2 4.23Å; F1932-V1936 HydrophobicContact CE2-CG2 4.23Å; F1932-V1936 HydrophobicContact CZ-CG2 4.13Å; F1932-V1936 WeakPolarHBondContact O-CB 3.42Å; F1932-V1936 VanDerWaalsContact O-CG2 3.24Å; F1932-V1936 WeakPolarHBondContact O-CG2 3.28Å; F1932-V1936 PolarHBondContact O-N 2.89Å
1933A37.3Very low36.2Very low74 Ų7493.7 Ų93.761%0.61250%0.497SS*.Hα-helixtrans-64.4-53.5174.900000111.7N1931 A1935 V1936 H1937N1931-A1933 VanDerWaalsContact C-N 3.29Å; N1931-A1933 PolarHBondContact O-N 2.04Å; A1933-A1935 VanDerWaalsContact C-N 3.34Å; A1933-A1935 PolarHBondContact O-N 3.36Å; A1933-V1936 CarbonylContact O-C 3.42Å; A1933-V1936 PolarHBondContact O-N 2.89Å; A1933-V1936 VanDerWaalsContact O-N 3.15Å; A1933-H1937 PolarHBondContact O-N 2.79Å
1934D37.1Very low37.3Very low67 Ų6790 Ų9036%0.35848%0.482SS..Hα-helixtrans-67.2-35.3178.5-56.4-58.5000112.4L1930 N1931 H1937 T1938L1930-D1934 HydrophobicContact CD2-CB 4.48Å; N1931-D1934 WeakPolarHBondContact CB-OD2 3.02Å; N1931-D1934 PolarHBondContact ND2-OD2 3.46Å; N1931-D1934 PolarHBondContact O-N 3.03Å; D1934-H1937 PolarHBondContact O-N 3.42Å; D1934-T1938 WeakPolarHBondContact O-CB 3.46Å; D1934-T1938 PolarHBondContact O-N 2.95Å; D1934-T1938 PolarHBondContact O-OG1 2.91Å
1935A37.9Very low38.4Very low33 Ų3384.6 Ų84.627%0.27347%0.472SS..Hα-helixtrans-62.1-43.1170.900000111.1N1931 A1933 L1939N1931-A1935 VanDerWaalsContact O-CB 3.25Å; N1931-A1935 WeakPolarHBondContact O-CB 3.06Å; N1931-A1935 PolarHBondContact O-N 2.91Å; A1933-A1935 VanDerWaalsContact C-N 3.34Å; A1933-A1935 PolarHBondContact O-N 3.36Å; A1935-L1939 WeakPolarHBondContact O-CB 3.33Å; A1935-L1939 WeakPolarHBondContact O-CD1 3.49Å; A1935-L1939 WeakPolarHBondContact O-CG 3.28Å; A1935-L1939 PolarHBondContact O-N 3.47Å
1936V42.6Very low39.3Very low52 Ų5287.5 Ų87.532%0.31548%0.482SS..Hα-helixtrans-68.3-40.4173.7166.90000111.5F1932 A1933 L1939 V1940F1932-V1936 HydrophobicContact CD1-CG2 4.44Å; F1932-V1936 HydrophobicContact CD2-CG2 4.44Å; F1932-V1936 HydrophobicContact CE1-CG2 4.23Å; F1932-V1936 HydrophobicContact CE2-CG2 4.23Å; F1932-V1936 HydrophobicContact CZ-CG2 4.13Å; F1932-V1936 WeakPolarHBondContact O-CB 3.42Å; F1932-V1936 VanDerWaalsContact O-CG2 3.24Å; F1932-V1936 WeakPolarHBondContact O-CG2 3.28Å; F1932-V1936 PolarHBondContact O-N 2.89Å; A1933-V1936 CarbonylContact O-C 3.42Å; A1933-V1936 PolarHBondContact O-N 2.89Å; A1933-V1936 VanDerWaalsContact O-N 3.15Å; V1936-L1939 CarbonylContact O-C 3.41Å; V1936-L1939 PolarHBondContact O-N 3.23Å; V1936-V1940 HydrophobicContact CG1-CG2 4.19Å; V1936-V1940 WeakPolarHBondContact O-CB 3.48Å; V1936-V1940 WeakPolarHBondContact O-CG2 3.24Å; V1936-V1940 PolarHBondContact O-N 3.32Å
1937H40.9Very low40.5Very low67 Ų6784.6 Ų84.631%0.3147%0.471SS..Hα-helixtrans-70.2-36.8-179.8-155.6-161.2000111.5A1933 D1934 V1940 K1941A1933-H1937 PolarHBondContact O-N 2.79Å; D1934-H1937 PolarHBondContact O-N 3.42Å; H1937-V1940 PolarHBondContact O-N 2.93Å; H1937-K1941 PolarHBondContact O-N 3.48Å
1938T42.2Very low41.1Very low67 Ų6781.1 Ų81.141%0.41145%0.454SS..Hα-helixtrans-72.2-40.9173.4-54.40000111.8D1934 V1940 K1941 Q1942D1934-T1938 WeakPolarHBondContact O-CB 3.46Å; D1934-T1938 PolarHBondContact O-N 2.95Å; D1934-T1938 PolarHBondContact O-OG1 2.91Å; T1938-V1940 VanDerWaalsContact C-N 3.28Å; T1938-V1940 PolarHBondContact O-N 2.69Å; T1938-K1941 PolarHBondContact O-N 2.96Å; T1938-Q1942 HydrophobicContact CG2-CG 4.39Å; T1938-Q1942 VanDerWaalsContact O-CB 3.29Å; T1938-Q1942 WeakPolarHBondContact O-CB 3.47Å; T1938-Q1942 WeakPolarHBondContact O-CG 3.44Å; T1938-Q1942 PolarHBondContact O-N 3.49Å
1939L43.3Very low41.9Very low108 Ų10883.8 Ų83.857%0.56545%0.449SS*.Hα-helixtrans-67.5-27.1171-76.8167.3000111.9A1935 V1936 A1943A1935-L1939 WeakPolarHBondContact O-CB 3.33Å; A1935-L1939 WeakPolarHBondContact O-CD1 3.49Å; A1935-L1939 WeakPolarHBondContact O-CG 3.28Å; A1935-L1939 PolarHBondContact O-N 3.47Å; V1936-L1939 CarbonylContact O-C 3.41Å; V1936-L1939 PolarHBondContact O-N 3.23Å; L1939-A1943 WeakPolarHBondContact O-CA 3.3Å; L1939-A1943 WeakPolarHBondContact O-CB 3.46Å; L1939-A1943 PolarHBondContact O-N 3.06Å
1940V50Low42.8Very low64 Ų6486.5 Ų86.539%0.38846%0.464SS..Hα-helixtrans-79.4-36173.1167.50000111V1936 H1937 T1938 N1944V1936-V1940 HydrophobicContact CG1-CG2 4.19Å; V1936-V1940 WeakPolarHBondContact O-CB 3.48Å; V1936-V1940 WeakPolarHBondContact O-CG2 3.24Å; V1936-V1940 PolarHBondContact O-N 3.32Å; H1937-V1940 PolarHBondContact O-N 2.93Å; T1938-V1940 VanDerWaalsContact C-N 3.28Å; T1938-V1940 PolarHBondContact O-N 2.69Å; V1940-N1944 VanDerWaalsContact CG1-ND2 3.34Å; V1940-N1944 WeakPolarHBondContact CG1-ND2 3.38Å; V1940-N1944 WeakPolarHBondContact O-CB 3.42Å; V1940-N1944 VanDerWaalsContact O-CG 3.25Å; V1940-N1944 PolarHBondContact O-N 3Å; V1940-N1944 PolarHBondContact O-ND2 3.22Å
1941K43.7Very low43.6Very low143 Ų14386.1 Ų86.162%0.62245%0.454SS*.Hα-helixtrans-63.3-51.8167.5-84.7-177.5175.71750110.6H1937 T1938 N1944 V1945H1937-K1941 PolarHBondContact O-N 3.48Å; T1938-K1941 PolarHBondContact O-N 2.96Å; K1941-N1944 PolarHBondContact O-N 3.2Å; K1941-V1945 WeakPolarHBondContact O-CB 3.29Å; K1941-V1945 WeakPolarHBondContact O-CG2 3.32Å; K1941-V1945 PolarHBondContact O-N 3.18Å
1942Q44.4Very low44.2Very low120 Ų12085.5 Ų85.556%0.56145%0.45SS*.Hα-helixtrans-69.3-37.9-179.6-70.7-173.80.500113.3T1938 V1945 M1946T1938-Q1942 HydrophobicContact CG2-CG 4.39Å; T1938-Q1942 VanDerWaalsContact O-CB 3.29Å; T1938-Q1942 WeakPolarHBondContact O-CB 3.47Å; T1938-Q1942 WeakPolarHBondContact O-CG 3.44Å; T1938-Q1942 PolarHBondContact O-N 3.49Å; Q1942-V1945 PolarHBondContact O-N 3.04Å; Q1942-M1946 WeakPolarHBondContact O-CA 3.38Å; Q1942-M1946 WeakPolarHBondContact O-CB 3.35Å; Q1942-M1946 PolarHBondContact O-N 2.92Å
1943A49.2Very low44.7Very low58 Ų5883.1 Ų83.148%0.47944%0.442SS..Hα-helixtrans-73.9-30.9172.700000111.8L1939 A1947L1939-A1943 WeakPolarHBondContact O-CA 3.3Å; L1939-A1943 WeakPolarHBondContact O-CB 3.46Å; L1939-A1943 PolarHBondContact O-N 3.06Å; A1943-A1947 WeakPolarHBondContact O-CA 3.43Å; A1943-A1947 WeakPolarHBondContact O-CB 3.44Å; A1943-A1947 PolarHBondContact O-N 2.97Å
1944N47.8Very low45.2Very low58 Ų5885.9 Ų85.931%0.3144%0.441SS..Hα-helixtrans-69.8-35.4168.3-80.2-52000111.7V1940 K1941 A1947 K1948V1940-N1944 VanDerWaalsContact CG1-ND2 3.34Å; V1940-N1944 WeakPolarHBondContact CG1-ND2 3.38Å; V1940-N1944 WeakPolarHBondContact O-CB 3.42Å; V1940-N1944 VanDerWaalsContact O-CG 3.25Å; V1940-N1944 PolarHBondContact O-N 3Å; V1940-N1944 PolarHBondContact O-ND2 3.22Å; K1941-N1944 PolarHBondContact O-N 3.2Å; N1944-A1947 CarbonylContact O-C 3.57Å; N1944-K1948 WeakPolarHBondContact O-CA 3.47Å; N1944-K1948 VanDerWaalsContact O-CB 3.23Å; N1944-K1948 WeakPolarHBondContact O-CB 3.47Å; N1944-K1948 PolarHBondContact O-N 3.14Å
1945V47.9Very low45.4Very low96 Ų9688.9 Ų88.958%0.58245%0.448SS*.Hα-helixtrans-73.7-46.3176.3167.90000111.3K1941 Q1942 A1947 K1948 R1949K1941-V1945 WeakPolarHBondContact O-CB 3.29Å; K1941-V1945 WeakPolarHBondContact O-CG2 3.32Å; K1941-V1945 PolarHBondContact O-N 3.18Å; Q1942-V1945 PolarHBondContact O-N 3.04Å; V1945-A1947 VanDerWaalsContact C-N 3.31Å; V1945-A1947 PolarHBondContact O-N 3.39Å; V1945-K1948 CarbonylContact O-C 3.57Å; V1945-K1948 PolarHBondContact O-N 3.01Å; V1945-R1949 WeakPolarHBondContact O-CB 3.42Å; V1945-R1949 PolarHBondContact O-N 3.27Å
1946M46.1Very low45.4Very low130 Ų13093.2 Ų93.264%0.6447%0.466SS*.Hα-helixtrans-70.1-28.3176.4-166.8174.2-74.800111.4Q1942 N1950Q1942-M1946 WeakPolarHBondContact O-CA 3.38Å; Q1942-M1946 WeakPolarHBondContact O-CB 3.35Å; Q1942-M1946 PolarHBondContact O-N 2.92Å; M1946-N1950 WeakPolarHBondContact O-CA 3.43Å; M1946-N1950 WeakPolarHBondContact O-CB 3.17Å; M1946-N1950 PolarHBondContact O-N 3.26Å; M1946-N1950 PolarHBondContact O-ND2 3.36Å
1947A53.3Low45.1Very low34 Ų3499.3 Ų99.328%0.28148%0.483SS..Hα-helixtrans-86.3-9.2165.300000114.1A1943 N1944 V1945 R1951A1943-A1947 WeakPolarHBondContact O-CA 3.43Å; A1943-A1947 WeakPolarHBondContact O-CB 3.44Å; A1943-A1947 PolarHBondContact O-N 2.97Å; N1944-A1947 CarbonylContact O-C 3.57Å; V1945-A1947 VanDerWaalsContact C-N 3.31Å; V1945-A1947 PolarHBondContact O-N 3.39Å; A1947-R1951 WeakPolarHBondContact O-CA 3.28Å; A1947-R1951 WeakPolarHBondContact O-CB 2.98Å; A1947-R1951 WeakPolarHBondContact O-CD 3.39Å; A1947-R1951 WeakPolarHBondContact O-CG 3.34Å; A1947-R1951 PolarHBondContact O-N 3.09Å
1948K41.8Very low45Very low74 Ų74101.1 Ų101.132%0.32249%0.49SS..Hα-helixtrans-77.5-45.2162.9-152178.5-170.7-174.70107.3E736 E737 N1944 V1945 R1951 I1952E736-K1948 IonicContact OE2-NZ 3.88Å; E737-K1948 VanDerWaalsContact OE1-CE 3.32Å; E737-K1948 WeakPolarHBondContact OE1-CE 3.3Å; E737-K1948 IonicContact OE1-NZ 3.78Å; E737-K1948 PolarHBondContact OE1-NZ 2.66Å; N1944-K1948 WeakPolarHBondContact O-CA 3.47Å; N1944-K1948 VanDerWaalsContact O-CB 3.23Å; N1944-K1948 WeakPolarHBondContact O-CB 3.47Å; N1944-K1948 PolarHBondContact O-N 3.14Å; V1945-K1948 CarbonylContact O-C 3.57Å; V1945-K1948 PolarHBondContact O-N 3.01Å; K1948-R1951 PolarHBondContact O-N 3.38Å; K1948-I1952 HydrophobicContact CG-CD1 4.04Å; K1948-I1952 WeakPolarHBondContact O-CB 2.99Å; K1948-I1952 WeakPolarHBondContact O-CD1 3.4Å; K1948-I1952 WeakPolarHBondContact O-CG1 3.37Å; K1948-I1952 PolarHBondContact O-N 3.21Å
1949R43.7Very low45Very low127 Ų127102.4 Ų102.448%0.47950%0.502SS..Hα-helixtrans-63.2-43.1173.2-143.3165-170.3158.52.3112.4T1920 V1945 N1953T1920-R1949 PolarHBondContact OG1-NH1 2.89Å; T1920-R1949 PolarHBondContact OG1-NH2 3.44Å; V1945-R1949 WeakPolarHBondContact O-CB 3.42Å; V1945-R1949 PolarHBondContact O-N 3.27Å; R1949-N1953 VanDerWaalsContact O-CB 3.29Å; R1949-N1953 WeakPolarHBondContact O-CB 3.36Å; R1949-N1953 PolarHBondContact O-N 3.36Å; R1949-N1953 PolarHBondContact O-ND2 3.31Å
1950N48.5Very low44.7Very low95 Ų95101 Ų10151%0.50851%0.506SS..Hα-helixtrans-83.8-19.7175-73-23.7000114.7M1946 K1954M1946-N1950 WeakPolarHBondContact O-CA 3.43Å; M1946-N1950 WeakPolarHBondContact O-CB 3.17Å; M1946-N1950 PolarHBondContact O-N 3.26Å; M1946-N1950 PolarHBondContact O-ND2 3.36Å; N1950-K1954 WeakPolarHBondContact O-CB 3.41Å; N1950-K1954 PolarHBondContact O-N 3.08Å
1951R50.8Low44Very low123 Ų123105.9 Ų105.946%0.46452%0.522SS..Hα-helixtrans-79.2-38.5165.5-74.5170.1-178.2-170.60.3111A1947 K1948 K1954 Y1955A1947-R1951 WeakPolarHBondContact O-CA 3.28Å; A1947-R1951 WeakPolarHBondContact O-CB 2.98Å; A1947-R1951 WeakPolarHBondContact O-CD 3.39Å; A1947-R1951 WeakPolarHBondContact O-CG 3.34Å; A1947-R1951 PolarHBondContact O-N 3.09Å; K1948-R1951 PolarHBondContact O-N 3.38Å; R1951-K1954 CarbonylContact O-C 3.6Å; R1951-K1954 VanDerWaalsContact O-C 3.31Å; R1951-K1954 WeakPolarHBondContact O-CA 3.11Å; R1951-K1954 PolarHBondContact O-N 2.83Å; R1951-Y1955 HydrophobicContact CB-CD2 4.17Å; R1951-Y1955 HydrophobicContact CB-CE2 4.39Å; R1951-Y1955 VanDerWaalsContact O-CB 3.29Å; R1951-Y1955 WeakPolarHBondContact O-CB 3.25Å; R1951-Y1955 VanDerWaalsContact O-CD2 3.3Å; R1951-Y1955 WeakPolarHBondContact O-CD2 3.12Å; R1951-Y1955 PolarHBondContact O-N 3.29Å
1952I49.1Very low43.5Very low80 Ų80103.8 Ų103.841%0.4152%0.517SS..Hα-helixtrans-59.1-50.3170.6-70.7166.1000108.6K1948 K1954 Y1955 L1956K1948-I1952 HydrophobicContact CG-CD1 4.04Å; K1948-I1952 WeakPolarHBondContact O-CB 2.99Å; K1948-I1952 WeakPolarHBondContact O-CD1 3.4Å; K1948-I1952 WeakPolarHBondContact O-CG1 3.37Å; K1948-I1952 PolarHBondContact O-N 3.21Å; I1952-K1954 PolarHBondContact O-N 2.82Å; I1952-Y1955 PolarHBondContact O-N 3.4Å; I1952-L1956 HydrophobicContact CG2-CD1 3.58Å; I1952-L1956 HydrophobicContact CG2-CG 4.17Å; I1952-L1956 WeakPolarHBondContact O-CB 3.22Å; I1952-L1956 VanDerWaalsContact O-CG 3.28Å; I1952-L1956 WeakPolarHBondContact O-CG 3.17Å; I1952-L1956 PolarHBondContact O-N 2.93Å
1953N42.3Very low43.1Very low75 Ų75103.7 Ų103.740%0.40153%0.525SS..Hα-helixtrans-68.4-1.9171.6-75.2-35.1000115.7R1949 R1957R1949-N1953 VanDerWaalsContact O-CB 3.29Å; R1949-N1953 WeakPolarHBondContact O-CB 3.36Å; R1949-N1953 PolarHBondContact O-N 3.36Å; R1949-N1953 PolarHBondContact O-ND2 3.31Å; N1953-R1957 WeakPolarHBondContact O-CB 3.38Å; N1953-R1957 WeakPolarHBondContact O-CD 3.47Å; N1953-R1957 WeakPolarHBondContact O-CG 3.44Å
1954K46.3Very low42.4Very low133 Ų133107.7 Ų107.758%0.57854%0.538SS*.Hα-helixtrans-117.3-10.6174.4-168.6168.1-176.7171.80113.2N1950 R1951 I1952 K1958N1950-K1954 WeakPolarHBondContact O-CB 3.41Å; N1950-K1954 PolarHBondContact O-N 3.08Å; R1951-K1954 CarbonylContact O-C 3.6Å; R1951-K1954 VanDerWaalsContact O-C 3.31Å; R1951-K1954 WeakPolarHBondContact O-CA 3.11Å; R1951-K1954 PolarHBondContact O-N 2.83Å; I1952-K1954 PolarHBondContact O-N 2.82Å; K1954-K1958 WeakPolarHBondContact O-CB 3.04Å; K1954-K1958 VanDerWaalsContact O-CG 3.25Å; K1954-K1958 WeakPolarHBondContact O-CG 3.46Å; K1954-K1958 PolarHBondContact O-N 3.06Å
1955Y41.1Very low41.6Very low129 Ų129114.5 Ų114.551%0.50656%0.56SS.*Hα-helixtrans-91.9-47.2167.7-89-119.9000108.3R1951 I1952 R1957 K1958 S1959R1951-Y1955 HydrophobicContact CB-CD2 4.17Å; R1951-Y1955 HydrophobicContact CB-CE2 4.39Å; R1951-Y1955 VanDerWaalsContact O-CB 3.29Å; R1951-Y1955 WeakPolarHBondContact O-CB 3.25Å; R1951-Y1955 VanDerWaalsContact O-CD2 3.3Å; R1951-Y1955 WeakPolarHBondContact O-CD2 3.12Å; R1951-Y1955 PolarHBondContact O-N 3.29Å; I1952-Y1955 PolarHBondContact O-N 3.4Å; Y1955-R1957 PolarHBondContact O-N 3.27Å; Y1955-K1958 PolarHBondContact O-N 2.98Å; Y1955-S1959 WeakPolarHBondContact O-CA 3.09Å; Y1955-S1959 WeakPolarHBondContact O-CB 3.26Å; Y1955-S1959 PolarHBondContact O-N 3.19Å
1956L39.2Very low40.7Very low124 Ų124113.1 Ų113.165%0.64955%0.549SS*.Hα-helixtrans-61.9-8.5165-61.3175.4000113.2I1952I1952-L1956 HydrophobicContact CG2-CD1 3.58Å; I1952-L1956 HydrophobicContact CG2-CG 4.17Å; I1952-L1956 WeakPolarHBondContact O-CB 3.22Å; I1952-L1956 VanDerWaalsContact O-CG 3.28Å; I1952-L1956 WeakPolarHBondContact O-CG 3.17Å; I1952-L1956 PolarHBondContact O-N 2.93Å
1957R36.7Very low40.1Very low180 Ų180111.4 Ų111.468%0.67955%0.546SS*.Hα-helixtrans-109.6-31.8168.3-66.9-176.8-172-175.71.2114.9N1953 Y1955N1953-R1957 WeakPolarHBondContact O-CB 3.38Å; N1953-R1957 WeakPolarHBondContact O-CD 3.47Å; N1953-R1957 WeakPolarHBondContact O-CG 3.44Å; Y1955-R1957 PolarHBondContact O-N 3.27Å
1958K37.6Very low39Very low105 Ų105113.5 Ų113.546%0.45755%0.552SS.*Hα-helixtrans-76.2-44.6172.9-85.8-176.9155.2-81.30112.7K1954 Y1955 A1960 K1961 D1962K1954-K1958 WeakPolarHBondContact O-CB 3.04Å; K1954-K1958 VanDerWaalsContact O-CG 3.25Å; K1954-K1958 WeakPolarHBondContact O-CG 3.46Å; K1954-K1958 PolarHBondContact O-N 3.06Å; Y1955-K1958 PolarHBondContact O-N 2.98Å; K1958-A1960 PolarHBondContact O-N 3.23Å; K1958-K1961 PolarHBondContact O-N 2.84Å; K1958-D1962 IonicContact NZ-OD2 3.52Å; K1958-D1962 PolarHBondContact NZ-OD2 2.68Å; K1958-D1962 PolarHBondContact O-N 2.88Å
1959S42Very low38.4Very low95 Ų95112.4 Ų112.466%0.66455%0.554SS**THydrogen-bonded Turntrans-687.1177.7-160.70000113.6Y1955Y1955-S1959 WeakPolarHBondContact O-CA 3.09Å; Y1955-S1959 WeakPolarHBondContact O-CB 3.26Å; Y1955-S1959 PolarHBondContact O-N 3.19Å
1960A38.3Very low37.7Very low78 Ų78112.5 Ų112.565%0.64556%0.558SS**THydrogen-bonded Turntrans-129.52.4174.400000113.3K1958K1958-A1960 PolarHBondContact O-N 3.23Å
1961K34.7Very low36.7Very low167 Ų167115 Ų11573%0.72657%0.566SS**THydrogen-bonded Turntrans-144-22.7-176.9-72.6-155.5168.5-157.70117.7K1958 V1963K1958-K1961 PolarHBondContact O-N 2.84Å; K1961-V1963 PolarHBondContact O-N 2.98Å
1962D32.8Very low35.7Very low98 Ų98116.8 Ų116.852%0.52457%0.573SS.*  trans-98.255.6-174.1-68.616.2000112.3K1958K1958-D1962 IonicContact NZ-OD2 3.52Å; K1958-D1962 PolarHBondContact NZ-OD2 2.68Å; K1958-D1962 PolarHBondContact O-N 2.88Å
1963V36.2Very low34.7Very low118 Ų118119.6 Ų119.672%0.71559%0.593SS**  trans-136.759.7163.1-170.70000108K1961K1961-V1963 PolarHBondContact O-N 2.98Å
1964D34.7Very low34.1Very low143 Ų143122.1 Ų122.177%0.76561%0.607SS**  trans-72.9137.5164.3-97.9-46000109.4
1965W30Very low33.2Very low200 Ų200123.9 Ų123.976%0.75862%0.62SS**  trans-110.1167.2-177.9-93.987.3000111.3
1966D30.3Very low32.7Very low68 Ų68121.8 Ų121.836%0.36462%0.624SS.*  trans76.5112.1-167.9-71.8-49.2000113.5S2024 Y2025D1966-S2024 CarbonylContact O-C 3.43Å; D1966-Y2025 HydrophobicContact CB-CD2 3.76Å; D1966-Y2025 HydrophobicContact CB-CE2 3.59Å; D1966-Y2025 PolarHBondContact O-N 2.03Å
1967T33.6Very low32.2Very low93 Ų93120.2 Ų120.257%0.57162%0.621SS**  trans-152.249.1163.5-63.30000107.4M2027T1967-M2027 HydrophobicContact CG2-CB 3.78Å; T1967-M2027 VanDerWaalsContact CG2-N 3.29Å
1968L28.5Very low32Very low78 Ų78120.4 Ų120.441%0.40862%0.622SS.*  59.7105.391.4-69.1142.3000101.7S2024 Y2025L1968-S2024 WeakPolarHBondContact CD1-OG 3.42Å; L1968-Y2025 WeakPolarHBondContact CA-OH 3.42Å; L1968-Y2025 VanDerWaalsContact CB-CB 3.44Å; L1968-Y2025 HydrophobicContact CB-CD1 2.31Å; L1968-Y2025 HydrophobicContact CB-CD2 2.29Å; L1968-Y2025 HydrophobicContact CB-CE1 2.3Å; L1968-Y2025 HydrophobicContact CB-CE2 2.3Å; L1968-Y2025 HydrophobicContact CB-CG 2.32Å; L1968-Y2025 WeakPolarHBondContact CB-OH 3.38Å; L1968-Y2025 HydrophobicContact CD1-CD2 4.04Å; L1968-Y2025 HydrophobicContact CD1-CE2 3.87Å; L1968-Y2025 HydrophobicContact CD2-CD1 4.34Å; L1968-Y2025 HydrophobicContact CD2-CE1 3.47Å; L1968-Y2025 VanDerWaalsContact CD2-CE1 3.47Å; L1968-Y2025 HydrophobicContact CD2-CE2 3.95Å; L1968-Y2025 WeakPolarHBondContact CD2-OH 3.49Å; L1968-Y2025 HydrophobicContact CG-CD1 3.83Å; L1968-Y2025 HydrophobicContact CG-CD2 3.37Å; L1968-Y2025 HydrophobicContact CG-CE1 3.3Å; L1968-Y2025 HydrophobicContact CG-CE2 2.79Å; L1968-Y2025 HydrophobicContact CG-CG 3.87Å; L1968-Y2025 WeakPolarHBondContact CG-OH 3.11Å; L1968-Y2025 VanDerWaalsContact N-CZ 3.32Å; L1968-Y2025 WeakPolarHBondContact O-CD1 3.46Å; L1968-Y2025 VanDerWaalsContact O-CG 3.23Å
1969S31Very low31.8Very low51 Ų51119.3 Ų119.336%0.35763%0.627SS.*  trans16.8159.5153.976.90000123.7Y2025 M2027S1969-Y2025 VanDerWaalsContact CB-CE1 3.48Å; S1969-Y2025 VanDerWaalsContact N-CD1 3.33Å; S1969-Y2025 WeakPolarHBondContact OG-CD1 3.39Å; S1969-Y2025 WeakPolarHBondContact OG-CE1 3Å; S1969-M2027 WeakPolarHBondContact O-CE 3.29Å
1970F28.1Very low31.2Very low129 Ų129123.4 Ų123.457%0.56663%0.629SS**  cis-131.71664.8-81.3-83.6000108.3R1972F1970-R1972 HydrophobicContact CD1-CB 4.17Å
1971H28.4Very low30.9Very low149 Ų149123.9 Ų123.969%0.6962%0.621SS**  cis-123147.923.5-80.9-129.9000111.3
1972R29.7Very low30.7Very low160 Ų160123.4 Ų123.460%0.60462%0.615SS**  cis81.38040.4-164.3-157.9-64.2-153.51.6114.6F1970F1970-R1972 HydrophobicContact CD1-CB 4.17Å
1973V27.1Very low30.5Very low138 Ų138122.8 Ų122.884%0.83661%0.611SS**  trans-128.697.7132.6-177.40000108.3
1974N28.7Very low30.3Very low129 Ų129121.1 Ų121.169%0.6960%0.601SS**  trans33139.3147.9-51.8-20000120.5
1975M27.7Very low30Very low170 Ų170116.7 Ų116.784%0.83757%0.574SS**  cis-145.312930.4-64.4170.776.900115.3
1976S30.3Very low30Very low85 Ų85109 Ų10959%0.59455%0.545SS*.  trans77.1149.2140.7810000121.5K464K464-S1976 WeakPolarHBondContact CE-O 3.44Å; K464-S1976 PolarHBondContact NZ-O 2.82Å
1977P30.5Very low29.9Very low91 Ų91111.2 Ų111.259%0.59155%0.549SS*.  trans-118.8-161.7-139.443.8-33.5000114.8K464K464-P1977 VanDerWaalsContact CE-O 3.29Å; K464-P1977 WeakPolarHBondContact CE-O 3.48Å; K464-P1977 PolarHBondContact NZ-O 3.16Å
1978R30.7Very low29.8Very low184 Ų184109.7 Ų109.769%0.69455%0.552SS**  trans71.6143.3175.8-66.5154.4174.6-146.56.6114.7E460E460-R1978 WeakPolarHBondContact OE1-CD 3.39Å; E460-R1978 IonicContact OE1-CZ 2.63Å; E460-R1978 IonicContact OE1-NE 2.65Å; E460-R1978 PolarHBondContact OE1-NE 2.86Å; E460-R1978 VanDerWaalsContact OE1-NE 3.16Å; E460-R1978 IonicContact OE1-NH1 3.04Å; E460-R1978 PolarHBondContact OE1-NH1 3.18Å; E460-R1978 WeakPolarHBondContact OE2-CB 3.32Å
1979S33.7Very low29.8Very low82 Ų82110.1 Ų110.157%0.57356%0.555SS**  cis-153.5178.8-4.5-143.50000112.8E460E460-S1979 WeakPolarHBondContact OE2-CB 3.45Å; E460-S1979 PolarHBondContact OE2-OG 3.41Å; E460-S1979 VanDerWaalsContact OE2-OG 3.05Å
1980Y31Very low29.7Very low181 Ų181112 Ų11271%0.7157%0.568SS**  trans-71.2152.4-164.2-106.6-110.6000118.5
1981D31.5Very low29.7Very low88 Ų88112.8 Ų112.847%0.47158%0.576SS.*  113.2135.7126.1-116.9-29.6000126.1
1982R30.8Very low29.7Very low157 Ų157116.1 Ų116.159%0.59258%0.583SS**  trans38.2130.4147.5-95.1170.6-75.9179.73.9124.7
1983N28.4Very low29.6Very low84 Ų84113 Ų11345%0.44959%0.586SS.*  trans82.2152.3135.2-75.5-41.6000121.6
1984T31.6Very low29.7Very low83 Ų83113.7 Ų113.751%0.50958%0.579SS.*  trans71.3146.3157.467.90000117.8
1985R28.4Very low29.7Very low50 Ų50114.7 Ų114.719%0.18958%0.58CS.*  cis-170.7162.3-21.4-120.1162.3173.5-176.5-1.7109.3R432 E436 P2017 N2018R432-R1985 PolarHBondContact NH1-O 2.78Å; E436-R1985 WeakPolarHBondContact OE1-CD 3.36Å; E436-R1985 IonicContact OE1-CZ 3.35Å; E436-R1985 IonicContact OE1-NE 3.11Å; E436-R1985 IonicContact OE1-NH1 3.21Å; E436-R1985 PolarHBondContact OE1-NH1 2.98Å; R1985-P2017 HydrophobicContact CG-CB 4.32Å; R1985-P2017 VanDerWaalsContact NE-CB 3.33Å; R1985-P2017 VanDerWaalsContact NH2-CG 3.3Å; R1985-N2018 WeakPolarHBondContact CG-OD1 3.26Å; R1985-N2018 PolarHBondContact NE-ND2 3.3Å
1986Y29.1Very low29.9Very low40 Ų40114.7 Ų114.716%0.15758%0.575CS.*  trans58.1125.1145.5-62.8-44.8000121.9R432 R439 N2015 L2016 P2017R432-Y1986 PolarHBondContact NH1-O 3.33Å; R432-Y1986 PolarHBondContact NH2-O 2.7Å; R439-Y1986 PolarHBondContact NH1-OH 2.81Å; Y1986-N2015 WeakPolarHBondContact CB-OD1 3.29Å; Y1986-N2015 HydrophobicContact CD1-CB 3.7Å; Y1986-N2015 WeakPolarHBondContact CD1-OD1 3.37Å; Y1986-N2015 HydrophobicContact CE1-CB 3.38Å; Y1986-N2015 WeakPolarHBondContact CE1-OD1 3.39Å; Y1986-L2016 HydrophobicContact CD1-CB 3.48Å; Y1986-L2016 VanDerWaalsContact CD1-CB 3.48Å; Y1986-L2016 VanDerWaalsContact CE1-C 3.49Å; Y1986-L2016 HydrophobicContact CE1-CB 3.3Å; Y1986-L2016 WeakPolarHBondContact CE1-O 3.35Å; Y1986-L2016 VanDerWaalsContact CZ-O 3.29Å; Y1986-L2016 PolarHBondContact OH-O 2.89Å; Y1986-P2017 HydrophobicContact CE1-CB 4.15Å
1987Y29.2Very low29.7Very low113 Ų113121.8 Ų121.844%0.44359%0.589SS.*  -1.6159.4115.9-83.1-143000118.1Y2013 N2015Y1987-Y2013 HydrophobicContact CD1-CD1 4.38Å; Y1987-Y2013 HydrophobicContact CD1-CG 4.3Å; Y1987-Y2013 AromaticContact CE1-CD1 3.43Å; Y1987-Y2013 HydrophobicContact CE1-CD1 3.43Å; Y1987-Y2013 VanDerWaalsContact CE1-CD1 3.43Å; Y1987-Y2013 HydrophobicContact CE1-CE1 4.16Å; Y1987-Y2013 AromaticContact CE1-CG 3.75Å; Y1987-Y2013 HydrophobicContact CE1-CG 3.75Å; Y1987-Y2013 AromaticContact CZ-CD1 3.67Å; Y1987-Y2013 AromaticContact CZ-CE1 3.95Å; Y1987-Y2013 WeakPolarHBondContact OH-CD1 3.41Å; Y1987-N2015 WeakPolarHBondContact CB-OD1 3.36Å
1988G30.6Very low29.6Very low61 Ų61126.7 Ų126.763%0.62960%0.601SS**  trans148.3109.5157.600000114.9
1989N29.8Very low29.4Very low87 Ų87128.3 Ų128.347%0.46561%0.607SS.*  trans-76.1156.2176.4-56.2-83.7000112.8F2012N1989-F2012 HydrophobicContact CB-CE1 4.15Å; N1989-F2012 HydrophobicContact CB-CE2 3.75Å; N1989-F2012 HydrophobicContact CB-CZ 3.51Å; N1989-F2012 WeakPolarHBondContact ND2-CD2 3.22Å; N1989-F2012 WeakPolarHBondContact ND2-CE2 3.17Å
1990S29.3Very low29.2Very low91 Ų91130.4 Ų130.464%0.63662%0.616SS**  169.4144.8121.8-89.80000115.4
1991I28.1Very low29.2Very low145 Ų145126.6 Ų126.674%0.74461%0.607SS**  trans56.2116.7137.5-58.8166.2000116.3
1992R27.6Very low29.1Very low220 Ų220131.2 Ų131.283%0.8362%0.62SS**  -177.2139.165.8-144.1164.8-1731761.5114.2
1993S27.2Very low29Very low95 Ų95129 Ų12966%0.66462%0.62SS**  trans62.8153.2137.264.10000125.7
1994H29Very low28.9Very low151 Ų151132.2 Ų132.270%0.69963%0.632SS**  trans92.4103.1155.8-75.9-77.7000122.1
1995H30.2Very low28.8Very low151 Ų151133.1 Ų133.170%0.69963%0.634SS**  trans95.4118.3134.5-75.5-47.7000124.3
1996K30.2Very low28.8Very low170 Ų170137.2 Ų137.274%0.73965%0.654SS**  trans83.7106.2135.9-70.5172.6-178.6175.90120.6
1997R26.1Very low28.7Very low234 Ų234142.2 Ų142.288%0.88368%0.684SS**  58.9137.3128.6-66.8178.9172.5178.3-3.8118.6
1998K28.5Very low28.7Very low193 Ų193140.4 Ų140.484%0.83970%0.7SS**  cis-130.5145.17.5-50.4170.4-176.91750107.5
1999R27.3Very low28.6Very low219 Ų219149 Ų14983%0.82672%0.715SS**  47.4127.868.7-101.1-169.6-91.5-178.6-9.2112.7
2000V29.5Very low28.4Very low125 Ų125153.9 Ų153.976%0.75873%0.732SS**  -142.4124.956.6157.60000110.2
2001L30.2Very low28.2Very low102 Ų102153.8 Ų153.853%0.53473%0.732SS.*  61.9143.7100.4-50.3175.4000114.5
2002Y29.9Very low28.1Very low185 Ų185152.4 Ų152.473%0.72572%0.72SS**  cis-152.4161.84.5-99.5-48.1000107.1
2003D28.7Very low28.1Very low111 Ų111150.4 Ų150.459%0.59471%0.714SS**  cis-148.4170.6-3.1-139.7-14.5000113
2004E27.6Very low28Very low150 Ų150152.1 Ų152.170%0.70172%0.715SS**  trans-11.3158.8154.9-73.4-178.2-173.100121
2005N28Very low27.9Very low103 Ų103147.6 Ų147.655%0.55170%0.696SS**  cis-162.7166.8-1.3-111.4-30.2000108.1
2006H28.5Very low28Very low135 Ų135145.5 Ų145.563%0.62569%0.689SS**  cis-155.9153.49.5-120.8-40.7000110.2
2007N27.8Very low27.9Very low146 Ų146140.6 Ų140.678%0.78168%0.675SS**  trans46114.7145.3-50.6-19.7000121.4
2008G29Very low28Very low75 Ų75131.4 Ų131.477%0.77364%0.643SS**  trans-171.7127.7164.400000113
2009Y27.7Very low28.2Very low241 Ų241126.7 Ų126.795%0.94563%0.627SS**  trans-50.8155.5-165-83.8-97.6000119.2
2010K26.5Very low28.2Very low189 Ų189124.9 Ų124.982%0.82262%0.622SS**  trans-141.3146.8172.1-174.4174.8-172.1167.70109.1
2011S25.4Very low28.1Very low90 Ų90122.3 Ų122.363%0.62961%0.609SS**  trans72.6158.6171.792.30000115.7
2012F25.5Very low27.9Very low115 Ų115122.2 Ų122.250%0.50461%0.608SS.*  cis-129150.6-0.7-66.8133.4000109.1N1989 L2014N1989-F2012 HydrophobicContact CB-CE1 4.15Å; N1989-F2012 HydrophobicContact CB-CE2 3.75Å; N1989-F2012 HydrophobicContact CB-CZ 3.51Å; N1989-F2012 WeakPolarHBondContact ND2-CD2 3.22Å; N1989-F2012 WeakPolarHBondContact ND2-CE2 3.17Å; F2012-L2014 HydrophobicContact CB-CD1 4.28Å
2013Y27Very low27.7Very low178 Ų178118.7 Ų118.770%0.69861%0.606SS**  47.180.370.1-102.4-6.6000116.4Y1987Y1987-Y2013 HydrophobicContact CD1-CD1 4.38Å; Y1987-Y2013 HydrophobicContact CD1-CG 4.3Å; Y1987-Y2013 AromaticContact CE1-CD1 3.43Å; Y1987-Y2013 HydrophobicContact CE1-CD1 3.43Å; Y1987-Y2013 VanDerWaalsContact CE1-CD1 3.43Å; Y1987-Y2013 HydrophobicContact CE1-CE1 4.16Å; Y1987-Y2013 AromaticContact CE1-CG 3.75Å; Y1987-Y2013 HydrophobicContact CE1-CG 3.75Å; Y1987-Y2013 AromaticContact CZ-CD1 3.67Å; Y1987-Y2013 AromaticContact CZ-CE1 3.95Å; Y1987-Y2013 WeakPolarHBondContact OH-CD1 3.41Å
2014L26.2Very low27.4Very low132 Ų132116.1 Ų116.169%0.69160%0.597SS**  trans-137.4109.5165.7-102.9104.4000115.9F2012F2012-L2014 HydrophobicContact CB-CD1 4.28Å
2015N26.5Very low27.1Very low55 Ų55112.7 Ų112.729%0.29458%0.578SS.*  64.297.4121.7-72-34.4000121.5Y1986 Y1987Y1986-N2015 WeakPolarHBondContact CB-OD1 3.29Å; Y1986-N2015 HydrophobicContact CD1-CB 3.7Å; Y1986-N2015 WeakPolarHBondContact CD1-OD1 3.37Å; Y1986-N2015 HydrophobicContact CE1-CB 3.38Å; Y1986-N2015 WeakPolarHBondContact CE1-OD1 3.39Å; Y1987-N2015 WeakPolarHBondContact CB-OD1 3.36Å
2016L31.7Very low26.8Very low108 Ų108113.3 Ų113.357%0.56558%0.582SS**  8.3167.1125.7-116.276.7000120.6Y1986Y1986-L2016 HydrophobicContact CD1-CB 3.48Å; Y1986-L2016 VanDerWaalsContact CD1-CB 3.48Å; Y1986-L2016 VanDerWaalsContact CE1-C 3.49Å; Y1986-L2016 HydrophobicContact CE1-CB 3.3Å; Y1986-L2016 WeakPolarHBondContact CE1-O 3.35Å; Y1986-L2016 VanDerWaalsContact CZ-O 3.29Å; Y1986-L2016 PolarHBondContact OH-O 2.89Å
2017P29.1Very low26.5Very low66 Ų66109.6 Ų109.643%0.42957%0.565SS.*  -160.717862.544.3-22.1000119.5R1985 Y1986R1985-P2017 HydrophobicContact CG-CB 4.32Å; R1985-P2017 VanDerWaalsContact NE-CB 3.33Å; R1985-P2017 VanDerWaalsContact NH2-CG 3.3Å; Y1986-P2017 HydrophobicContact CE1-CB 4.15Å
2018N26.7Very low26.3Very low41 Ų41107 Ų10722%0.21955%0.551CS.*  trans22.4127.1147.3-47.32.4000120.1R1985R1985-N2018 WeakPolarHBondContact CG-OD1 3.26Å; R1985-N2018 PolarHBondContact NE-ND2 3.3Å
2019N32.9Very low25.9Very low94 Ų94106.2 Ų106.250%0.50353%0.527SS..  -178147.194-96.1-17000111.1
2020Y28.7Very low25.5Very low182 Ų18296.1 Ų96.171%0.71449%0.491SS*.  trans60.1114.5173.3-50.6-62.9000115.4
2021S27Very low25.4Very low71 Ų7189.7 Ų89.750%0.49747%0.47SS..  cis98.1112.834.273.60000113.5
2022L24.8Very low25.3Very low99 Ų9989.6 Ų89.652%0.51847%0.469SS..  53.7131.5130-78.268.7000118.4
2023V27.1Very low25.2Very low111 Ų11187.2 Ų87.267%0.67347%0.471SS*.  173.7134.5119.9145.60000111.5
2024S22.1Very low25.1Very low58 Ų5888.4 Ų88.441%0.40647%0.474SS..  trans44.1131.3154.2-570000120.6D1966 L1968D1966-S2024 CarbonylContact O-C 3.43Å; L1968-S2024 WeakPolarHBondContact CD1-OG 3.42Å
2025Y21.7Very low25Very low78 Ų7887.1 Ų87.131%0.30647%0.468SS..  42.8122.778.7-52.3-161.6000110.2D1966 L1968 S1969D1966-Y2025 HydrophobicContact CB-CD2 3.76Å; D1966-Y2025 HydrophobicContact CB-CE2 3.59Å; D1966-Y2025 PolarHBondContact O-N 2.03Å; L1968-Y2025 WeakPolarHBondContact CA-OH 3.42Å; L1968-Y2025 VanDerWaalsContact CB-CB 3.44Å; L1968-Y2025 HydrophobicContact CB-CD1 2.31Å; L1968-Y2025 HydrophobicContact CB-CD2 2.29Å; L1968-Y2025 HydrophobicContact CB-CE1 2.3Å; L1968-Y2025 HydrophobicContact CB-CE2 2.3Å; L1968-Y2025 HydrophobicContact CB-CG 2.32Å; L1968-Y2025 WeakPolarHBondContact CB-OH 3.38Å; L1968-Y2025 HydrophobicContact CD1-CD2 4.04Å; L1968-Y2025 HydrophobicContact CD1-CE2 3.87Å; L1968-Y2025 HydrophobicContact CD2-CD1 4.34Å; L1968-Y2025 HydrophobicContact CD2-CE1 3.47Å; L1968-Y2025 VanDerWaalsContact CD2-CE1 3.47Å; L1968-Y2025 HydrophobicContact CD2-CE2 3.95Å; L1968-Y2025 WeakPolarHBondContact CD2-OH 3.49Å; L1968-Y2025 HydrophobicContact CG-CD1 3.83Å; L1968-Y2025 HydrophobicContact CG-CD2 3.37Å; L1968-Y2025 HydrophobicContact CG-CE1 3.3Å; L1968-Y2025 HydrophobicContact CG-CE2 2.79Å; L1968-Y2025 HydrophobicContact CG-CG 3.87Å; L1968-Y2025 WeakPolarHBondContact CG-OH 3.11Å; L1968-Y2025 VanDerWaalsContact N-CZ 3.32Å; L1968-Y2025 WeakPolarHBondContact O-CD1 3.46Å; L1968-Y2025 VanDerWaalsContact O-CG 3.23Å; S1969-Y2025 VanDerWaalsContact CB-CE1 3.48Å; S1969-Y2025 VanDerWaalsContact N-CD1 3.33Å; S1969-Y2025 WeakPolarHBondContact OG-CD1 3.39Å; S1969-Y2025 WeakPolarHBondContact OG-CE1 3Å
2026D21.7Very low25.1Very low116 Ų11691.4 Ų91.462%0.6249%0.491SS*.  cis-123.9140.222.4-78-70.5000111.3
2027M21.7Very low24.9Very low56 Ų5693.9 Ų93.928%0.27650%0.5SS..  51.179.466.6-156.8-109.4-73.100111.7K23 T1967 S1969K23-M2027 HydrophobicContact CD-SD 3.78Å; K23-M2027 WeakPolarHBondContact CE-O 3.09Å; K23-M2027 PolarHBondContact NZ-O 3.27Å; K23-M2027 PolarHBondContact NZ-SD 3.31Å; T1967-M2027 HydrophobicContact CG2-CB 3.78Å; T1967-M2027 VanDerWaalsContact CG2-N 3.29Å; S1969-M2027 WeakPolarHBondContact O-CE 3.29Å
2028L22.4Very low24.8Very low93 Ų9395.9 Ų95.949%0.48751%0.511SS..  trans73.7162.9140.2-111.755000113.8K23K23-L2028 HydrophobicContact CB-CB 3.31Å; K23-L2028 HydrophobicContact CB-CD2 3.69Å; K23-L2028 HydrophobicContact CB-CG 3.46Å; K23-L2028 VanDerWaalsContact CB-CG 3.46Å; K23-L2028 HydrophobicContact CD-CB 3.78Å; K23-L2028 HydrophobicContact CD-CD2 4.37Å; K23-L2028 WeakPolarHBondContact CE-O 3.43Å; K23-L2028 HydrophobicContact CG-CB 4.08Å; K23-L2028 HydrophobicContact CG-CD2 4.38Å
2029Q21.1Very low24.9Very low58 Ų58100 Ų10027%0.27153%0.533SS..  trans96.5149.9170.6-117.4166.4-15.100118.3K23 D26 I27K23-Q2029 HydrophobicContact CB-CB 3.96Å; K23-Q2029 HydrophobicContact CB-CG 3.74Å; K23-Q2029 HydrophobicContact CD-CB 4.41Å; K23-Q2029 HydrophobicContact CD-CG 4.39Å; K23-Q2029 HydrophobicContact CG-CB 4.15Å; K23-Q2029 HydrophobicContact CG-CG 3.72Å; K23-Q2029 WeakPolarHBondContact O-CA 3.49Å; K23-Q2029 PolarHBondContact O-N 2.88Å; D26-Q2029 HydrophobicContact CB-CG 4.23Å; D26-Q2029 VanDerWaalsContact CB-NE2 3.27Å; D26-Q2029 PolarHBondContact O-NE2 3.16Å; D26-Q2029 PolarHBondContact OD2-NE2 2.8Å; I27-Q2029 HydrophobicContact CB-CG 3.75Å; I27-Q2029 HydrophobicContact CD1-CB 3.86Å; I27-Q2029 HydrophobicContact CD1-CG 3.65Å; I27-Q2029 HydrophobicContact CG1-CB 4.31Å; I27-Q2029 HydrophobicContact CG1-CG 3.54Å; I27-Q2029 VanDerWaalsContact N-CG 3.33Å
2030C20.4Very low24.6Very low28 Ų28103.1 Ų103.119%0.18954%0.544CS..  trans-104.4-173.5-165.8-340000112.3R24 I27 D28R24-C2030 PolarHBondContact O-SG 3.41Å; I27-C2030 HydrophobicContact CB-CB 3.95Å; I27-C2030 VanDerWaalsContact CB-O 3.32Å; I27-C2030 WeakPolarHBondContact CB-O 3.33Å; I27-C2030 WeakPolarHBondContact CD1-O 3.27Å; I27-C2030 VanDerWaalsContact CG2-C 3.42Å; I27-C2030 HydrophobicContact CG2-CB 4.03Å; I27-C2030 WeakPolarHBondContact CG2-O 3.45Å; D28-C2030 WeakPolarHBondContact OD1-CB 3.42Å; D28-C2030 PolarHBondContact OD1-SG 3.34Å
2031S23Very low24.5Very low54 Ų5499.5 Ų99.538%0.37854%0.537SS..  trans42.7-174.7164.9-145.70000121.3L31L31-S2031 VanDerWaalsContact CD1-CB 3.5Å; L31-S2031 WeakPolarHBondContact CD1-OG 3.38Å; L31-S2031 VanDerWaalsContact CD2-OG 3.31Å; L31-S2031 WeakPolarHBondContact CD2-OG 3.07Å
2032S23.1Very low24.6Very low88 Ų88102.9 Ų102.962%0.61555%0.55SS*.  trans69.3110.6179.7-107.10000113.6
2033A24.3Very low24.8Very low66 Ų66103 Ų10355%0.54556%0.559SS.*  cis47.390.643.200000111.1
2034R24.6Very low24.7Very low202 Ų202106.9 Ų106.976%0.76257%0.567SS**  -127.2119.693.4-71.5-139.7146.478.113107.8
2035D24.8Very low24.8Very low105 Ų105109.9 Ų109.956%0.56158%0.579SS**  88.5168.276.2-59.7-17.1000108.2
2036D27.6Very low25Very low145 Ų145115 Ų11578%0.77561%0.605SS**  trans79.2112.1178.7-46-10.1000115.8
2037E27Very low25.3Very low161 Ų161112.6 Ų112.675%0.75261%0.609SS**  cis-167.4171.1-12.2-134172.1178.400109.3
2038T28Very low25.5Very low108 Ų108117.9 Ų117.966%0.66363%0.63SS**  trans51.4138.1152.858.60000120.7
2039D29.4Very low25.6Very low128 Ų128123.2 Ų123.268%0.68464%0.644SS**  cis-153137.8-5.6-89.2-28.4000106.5
2040E25.2Very low25.9Very low158 Ų158126.6 Ų126.674%0.73866%0.663SS**  92.7153.763.5-149.2-169.9-129.900112.4
2041N27.2Very low26.1Very low106 Ų106129.7 Ų129.757%0.56768%0.68SS**  trans82.2108.7161.6-65.7-57.5000121.9
2042N29.6Very low26.2Very low142 Ų142132.8 Ų132.876%0.75969%0.693SS**  trans74.7145.3133.2-58-27.7000119.4
2043S29.2Very low26.4Very low101 Ų101135.1 Ų135.171%0.70670%0.698SS**  cis-159.6127.6-6.641.10000108
2044F23.6Very low26.3Very low194 Ų194139.2 Ų139.285%0.85171%0.706SS**  80.2149.384.7-115-99.3000115.1
2045N25.8Very low26.4Very low121 Ų121136.1 Ų136.165%0.64770%0.699SS**  trans70.6121.6179.5-64.12.8000116
2046E26.2Very low26.4Very low184 Ų184137.2 Ų137.286%0.8670%0.701SS**  75139.462.9-70-177.1161.800113.4
2047G27.5Very low26.2Very low67 Ų67139.5 Ų139.569%0.69170%0.699SS**  cis154.9158.5-4.600000112.5
2048F25.1Very low26.2Very low167 Ų167137.8 Ų137.873%0.73270%0.695SS**  trans64.5166.5171.1-82.6-166.2000115.1
2049R25.2Very low26.1Very low204 Ų204137.4 Ų137.477%0.7770%0.697SS**  cis-165179.31.9-115.1167.2177.1-174.8-1106.4
2050I26.2Very low26.4Very low130 Ų130136.2 Ų136.267%0.66770%0.696SS**  cis-177.6172.8-39-163.1166.8000108.8
2051T25.9Very low26.5Very low92 Ų92134.9 Ų134.956%0.56470%0.699SS**  trans65.9151.3166.250.80000117.3
2052D24.8Very low26.6Very low119 Ų119134.9 Ų134.964%0.63670%0.702SS**  cis-166.6168-8.4-109.9-14000114.1
2053L27.3Very low26.5Very low137 Ų137138.4 Ų138.472%0.71771%0.706SS**  trans62.8102.4148.1-71.5163.1000123.6
2054E23.2Very low26.4Very low153 Ų153141.6 Ų141.672%0.71572%0.716SS**  49.2149116.9-70.3-15582.300126.5
2055H25.8Very low26.6Very low136 Ų136141.3 Ų141.363%0.6372%0.717SS**  trans98.6108.5135-104.657.7000122.4
2056Q24.4Very low26.6Very low129 Ų129139.6 Ų139.660%0.60372%0.719SS**  trans68.9159.1145.3-58.4-171.322.200118.2
2057R24.4Very low26.6Very low193 Ų193142 Ų14273%0.72872%0.722SS**  cis-173.3164.5-18.1-108.2-165.9-58120.95.4108.6
2058D26.5Very low26.6Very low124 Ų124146.4 Ų146.466%0.66373%0.725SS**  cis-164.5160.3-12.4-144.1-35.1000111.5
2059S26.1Very low26.8Very low100 Ų100146 Ų14670%0.69973%0.725SS**  trans69.1172.7148.184.90000119.8
2060P34.8Very low26.9Very low104 Ų104141.3 Ų141.368%0.67572%0.721SS**  -141.6-161.2-100.638-14.4000116.7
2061T28.3Very low26.9Very low130 Ų130146.2 Ų146.280%0.79873%0.733SS**  trans96.6150.1160.473.20000119.9
2062V28.5Very low27.1Very low105 Ų105145.5 Ų145.564%0.63674%0.736SS**  cis-155160.4-45.9168.90000105.9
2063Y26.8Very low27.2Very low216 Ų216143.8 Ų143.885%0.84773%0.73SS**  trans92.995.7166.9-56.6-70.6000118.3
2064D28.1Very low27.2Very low169 Ų169145.7 Ų145.790%0.90474%0.736SS**  -160.1141.6121.5-110-21.3000110.3
2065E27Very low27.6Very low188 Ų188139.8 Ų139.888%0.87971%0.709SS**  trans-136.8146.3178.7-75.1-174.2139.600107.7
2066A27.3Very low27.6Very low84 Ų84140.3 Ų140.369%0.69471%0.711SS**  cis-157.6-169.3-7.900000108.5
2067Y26.2Very low27.6Very low235 Ų235139 Ų13992%0.92270%0.701SS**  trans71.659.1175.2-77.1-84.1000117.7
2068E26.6Very low27.6Very low159 Ų159135.4 Ų135.474%0.74371%0.705SS**  trans-144.4162.5142.9-145.1-174.1-111.700110.3
2069Q29.3Very low27.6Very low159 Ų159133 Ų13374%0.74370%0.703SS**  trans67.4168.1163.7-65.3176.833.900117.6
2070P28.5Very low27.6Very low105 Ų105132.7 Ų132.768%0.68270%0.7SS**  cis-119141.7-7.213.79.6000114.9
2071Y25.2Very low27.2Very low234 Ų234135.3 Ų135.392%0.91871%0.707SS**  -83.8150.4124.5-102.4-91.5000108
2072A29.5Very low27.1Very low76 Ų76136.4 Ų136.463%0.62870%0.703SS**  trans76.2148.1171.100000117.8
2073T26.9Very low26.9Very low83 Ų83138.1 Ų138.151%0.50970%0.704SS.*  cis-161.5122.1-21.622.90000111.8I2075T2073-I2075 HydrophobicContact CG2-CD1 3.49Å; T2073-I2075 VanDerWaalsContact CG2-CD1 3.49Å; T2073-I2075 HydrophobicContact CG2-CG1 3.85Å
2074Q28.3Very low26.8Very low178 Ų178133.7 Ų133.783%0.83269%0.694SS**  trans-142.2119.6143.9-83.6-175.5-2500105.4
2075I30.9Very low26.7Very low29 Ų29131.5 Ų131.515%0.14969%0.69CS.*  cis77.753.921-43.8-166.1000113.9L1661 N1663 N1664 T2073L1661-I2075 HydrophobicContact CD2-CB 4.32Å; L1661-I2075 HydrophobicContact CD2-CD1 3.91Å; L1661-I2075 HydrophobicContact CD2-CG1 4.48Å; N1663-I2075 HydrophobicContact CB-CG2 3.67Å; N1664-I2075 HydrophobicContact CB-CD1 3.78Å; N1664-I2075 HydrophobicContact CB-CG1 4.14Å; T2073-I2075 HydrophobicContact CG2-CD1 3.49Å; T2073-I2075 VanDerWaalsContact CG2-CD1 3.49Å; T2073-I2075 HydrophobicContact CG2-CG1 3.85Å
2076E25.6Very low26.7Very low147 Ų147130.2 Ų130.269%0.68768%0.684SS**  trans-142.8168.4133.6-126.2162.7-151.700111.8N1663N1663-E2076 WeakPolarHBondContact ND2-CG 3.2Å
2077R25Very low26.6Very low101 Ų101135.1 Ų135.138%0.38169%0.69SS.*  trans-107.7173.4-159.1-106.8-169.2-167.9123.6-10.9115N1663 E1667N1663-R2077 HydrophobicContact CB-CG 4.05Å; N1663-R2077 PolarHBondContact O-NH1 2.97Å; N1663-R2077 PolarHBondContact O-NH2 3.08Å; N1663-R2077 WeakPolarHBondContact OD1-CB 3.39Å; N1663-R2077 WeakPolarHBondContact OD1-CD 3.49Å; N1663-R2077 WeakPolarHBondContact OD1-CG 3.26Å; N1663-R2077 PolarHBondContact OD1-NE 2.87Å; N1663-R2077 PolarHBondContact OD1-NH1 3.39Å; E1667-R2077 VanDerWaalsContact CB-NH2 3.3Å; E1667-R2077 IonicContact OE2-CZ 2.66Å; E1667-R2077 IonicContact OE2-NE 2.68Å; E1667-R2077 PolarHBondContact OE2-NE 2.75Å; E1667-R2077 IonicContact OE2-NH2 2.61Å; E1667-R2077 PolarHBondContact OE2-NH2 3.18Å
2078S24Very low26.5Very low118 Ų118128.1 Ų128.183%0.82568%0.675SS**  trans76.9152-177.785.40000114.2
2079A26.9Very low26.3Very low74 Ų74128.4 Ų128.461%0.61268%0.677SS**  cis-129.5122.111.600000113.9
2080S25.7Very low26.1Very low92 Ų92124 Ų12464%0.64366%0.658SS**  trans23.7103.3136.557.40000119.8
2081I25.9Very low26.1Very low160 Ų160119.8 Ų119.882%0.82163%0.629SS**  -123.8111.2101.5-60.3179.2000104.6
2082H26.6Very low26Very low153 Ų153110.1 Ų110.171%0.70860%0.595SS**  cis45.968.217.4-139.7-75.6000113.8
2083E24.6Very low25.8Very low141 Ų141108.8 Ų108.866%0.65958%0.577SS**  166.8136.2119-83.6-155.2161.500108.8
2084I25.2Very low25.8Very low123 Ų123109.6 Ų109.663%0.63158%0.578SS**  cis-145.1142-6.4-90.4144000106.9
2085C25.3Very low25.6Very low123 Ų123104.1 Ų104.183%0.83155%0.552SS**SBendtrans-175.258.7146.1-101.60000114.7
2086Q27.5Very low25.3Very low160 Ų160110.6 Ų110.675%0.74858%0.576SS**  trans17878.3136.4-101.3-177.7-46.700113.1
2087K24.8Very low25.3Very low187 Ų187106.5 Ų106.581%0.81356%0.564SS**  -141.7120.3126.2-85.4-169.4174-176.20104.6
2088S24.4Very low25.3Very low88 Ų88105.3 Ų105.362%0.61557%0.567SS**  62.2101.852.381.80000111.9
2089E23.3Very low25.4Very low166 Ų166106 Ų10678%0.77656%0.558SS**  trans68.5140.9170.9-54.2168155.800114.9
2090N24.6Very low25.4Very low66 Ų66111 Ų11135%0.35357%0.566SS.*  cis-155.6180-18.5-101.6-20.4000107.6Y37 N41Y37-N2090 HydrophobicContact CE1-CB 3.96Å; Y37-N2090 VanDerWaalsContact OH-CB 3.3Å; Y37-N2090 WeakPolarHBondContact OH-CB 3.26Å; Y37-N2090 PolarHBondContact OH-ND2 2.91Å; N41-N2090 PolarHBondContact ND2-O 2.88Å
2091K27.2Very low25.3Very low16 Ų16110.6 Ų110.67%0.0756%0.563CS.*  trans64.997.4170.3-73.4-116.4-179.5160.20118.6L31 N32 D34 Y37 N41L31-K2091 VanDerWaalsContact C-CD 3.47Å; L31-K2091 VanDerWaalsContact C-NZ 3.35Å; L31-K2091 HydrophobicContact CB-CD 3.81Å; L31-K2091 HydrophobicContact CB-CG 4.06Å; L31-K2091 HydrophobicContact CD1-CG 4.4Å; L31-K2091 HydrophobicContact CD2-CD 4.12Å; L31-K2091 HydrophobicContact CD2-CG 4.08Å; L31-K2091 HydrophobicContact CG-CD 4.49Å; L31-K2091 HydrophobicContact CG-CG 4.42Å; L31-K2091 WeakPolarHBondContact O-CE 3.06Å; L31-K2091 PolarHBondContact O-NZ 3.48Å; N32-K2091 HydrophobicContact CB-CD 4.49Å; N32-K2091 WeakPolarHBondContact OD1-CA 3.4Å; N32-K2091 WeakPolarHBondContact OD1-CB 3.4Å; N32-K2091 VanDerWaalsContact OD1-CD 3.25Å; N32-K2091 WeakPolarHBondContact OD1-CD 3.29Å; D34-K2091 VanDerWaalsContact CB-NZ 3.35Å; D34-K2091 PolarHBondContact O-NZ 2.71Å; Y37-K2091 HydrophobicContact CD1-CB 4.35Å; Y37-K2091 HydrophobicContact CD1-CD 4.1Å; Y37-K2091 HydrophobicContact CD1-CG 3.64Å; Y37-K2091 HydrophobicContact CD2-CD 4.37Å; Y37-K2091 HydrophobicContact CD2-CG 4.31Å; Y37-K2091 HydrophobicContact CE1-CG 3.95Å; Y37-K2091 HydrophobicContact CG-CD 3.86Å; Y37-K2091 VanDerWaalsContact CG-CE 3.44Å; Y37-K2091 HydrophobicContact CG-CG 3.85Å; N41-K2091 WeakPolarHBondContact ND2-CB 3.37Å; N41-K2091 PolarHBondContact ND2-O 2.78Å; N41-K2091 VanDerWaalsContact ND2-O 3.07Å
2092T23.8Very low25.3Very low32 Ų32110.8 Ų110.820%0.19656%0.56CS.*  cis98.891.511.983.80000119.5D28 L31 N32D28-T2092 CarbonylContact C-O 3.07Å; D28-T2092 VanDerWaalsContact CA-CB 3.46Å; D28-T2092 WeakPolarHBondContact CA-OG1 3.49Å; D28-T2092 HydrophobicContact CB-CG2 3.87Å; D28-T2092 CarbonylContact O-C 3.51Å; D28-T2092 VanDerWaalsContact O-CB 3.23Å; D28-T2092 WeakPolarHBondContact O-CB 3.44Å; D28-T2092 PolarHBondContact O-OG1 2.65Å; D28-T2092 VanDerWaalsContact OD2-CG2 3.24Å; D28-T2092 WeakPolarHBondContact OD2-CG2 3.21Å; L31-T2092 WeakPolarHBondContact CB-OG1 3.35Å; L31-T2092 HydrophobicContact CD1-CG2 4.19Å; L31-T2092 WeakPolarHBondContact CD1-OG1 3.15Å; N32-T2092 WeakPolarHBondContact CB-O 3.37Å; N32-T2092 PolarHBondContact N-O 3.28Å; N32-T2092 WeakPolarHBondContact OD1-CA 3.36Å; N32-T2092 PolarHBondContact OD1-N 3.34Å; N32-T2092 PolarHBondContact OD1-O 3.45Å; N32-T2092 PolarHBondContact OD1-OG1 3.5Å
2093N24.7Very low25.1Very low47 Ų47109.9 Ų109.925%0.25156%0.561SS.*  trans-168140.2152.9-116.7-90000112.7D28 Q29 N32D28-N2093 WeakPolarHBondContact O-CA 2.99Å; D28-N2093 PolarHBondContact O-N 3.13Å; Q29-N2093 VanDerWaalsContact C-ND2 3.29Å; Q29-N2093 WeakPolarHBondContact CA-ND2 3.36Å; Q29-N2093 PolarHBondContact O-ND2 3.26Å; Q29-N2093 PolarHBondContact O-OD1 2.98Å; N32-N2093 WeakPolarHBondContact CA-ND2 3.46Å; N32-N2093 HydrophobicContact CB-CB 4Å; N32-N2093 VanDerWaalsContact CB-ND2 3.29Å; N32-N2093 WeakPolarHBondContact CB-ND2 2.99Å; N32-N2093 PolarHBondContact N-ND2 2.8Å
2094N26.7Very low25.1Very low100 Ų100106.7 Ų106.754%0.53555%0.55SS.*  trans57.3151.1155.5-53.1-43000120.8Q29Q29-N2094 WeakPolarHBondContact CG-OD1 3.47Å; Q29-N2094 PolarHBondContact NE2-OD1 3.41Å
2095E25.3Very low25.1Very low64 Ų64106.1 Ų106.130%0.29955%0.548SS..  cis-166.7164.3-34.1-161.5159-120.900108.8N22 Q29N22-E2095 PolarHBondContact ND2-OE1 3.41Å; Q29-E2095 PolarHBondContact NE2-OE1 2.92Å
2096Y25.3Very low25Very low164 Ų164104.2 Ų104.264%0.64352%0.524SS*.  trans68152175.2-52.1-76.2000117.1
2097S25.3Very low24.9Very low61 Ų6198 Ų9843%0.42750%0.495SS..  cis-157.1128.6-19.842.50000107.7
2098V24.8Very low25.1Very low76 Ų7690.7 Ų90.746%0.46147%0.467SS..  71.586.468.6179.90000114.1
2099Q26.2Very low25.2Very low134 Ų13489.8 Ų89.863%0.62646%0.456SS*.  trans168145.4134-94170.441.800110.4L89L89-Q2099 WeakPolarHBondContact CD2-O 3.44Å
2100K26.3Very low25.4Very low178 Ų17885.4 Ų85.477%0.77444%0.435SS*.  cis-148148.64-159.4170.4-174.3172.70110.5
2101S23Very low25.4Very low84 Ų8488.7 Ų88.759%0.58745%0.45SS*.  trans-105.7130.8-175.348.60000114.2
2102H26.8Very low25.5Very low163 Ų16394.5 Ų94.576%0.75548%0.48SS*.  trans-151.5106.4150.4-87.1-86.2000104.7
2103N22.2Very low25.7Very low135 Ų13596.2 Ų96.272%0.72249%0.492SS*.  cis64.83617.4-77.915.9000115.5
2104T25Very low25.7Very low73 Ų7398.6 Ų98.645%0.44851%0.511SS..  trans-117.5100.3131.745.40000106.7L550L550-T2104 HydrophobicContact CD1-CG2 4.12Å
2105L23.9Very low25.7Very low111 Ų111102.1 Ų102.158%0.58152%0.524SS*.  66.3111.889.5-94.793.9000113
2106Y24.9Very low25.9Very low84 Ų84103.9 Ų103.933%0.32954%0.544SS..  trans62.7116.7139.4-66.5-141.2000116.9L400 L404 I407 H554L400-Y2106 HydrophobicContact CB-CD1 4.49Å; L400-Y2106 HydrophobicContact CD1-CD1 4.22Å; L400-Y2106 HydrophobicContact CD1-CE1 3.68Å; L400-Y2106 HydrophobicContact CD1-CE2 4.47Å; L400-Y2106 HydrophobicContact CD2-CD1 3.5Å; L400-Y2106 VanDerWaalsContact CD2-CD1 3.5Å; L400-Y2106 HydrophobicContact CD2-CD2 3.46Å; L400-Y2106 VanDerWaalsContact CD2-CD2 3.46Å; L400-Y2106 HydrophobicContact CD2-CE1 3.68Å; L400-Y2106 HydrophobicContact CD2-CE2 3.62Å; L400-Y2106 HydrophobicContact CD2-CG 3.44Å; L400-Y2106 VanDerWaalsContact CD2-CG 3.44Å; L400-Y2106 HydrophobicContact CG-CD1 3.41Å; L400-Y2106 VanDerWaalsContact CG-CD1 3.41Å; L400-Y2106 HydrophobicContact CG-CD2 4.29Å; L400-Y2106 HydrophobicContact CG-CE1 3.4Å; L400-Y2106 VanDerWaalsContact CG-CE1 3.4Å; L400-Y2106 HydrophobicContact CG-CE2 4.26Å; L400-Y2106 HydrophobicContact CG-CG 3.93Å; L404-Y2106 HydrophobicContact CD2-CD1 3.19Å; L404-Y2106 HydrophobicContact CD2-CE1 3.82Å; L404-Y2106 HydrophobicContact CD2-CG 3.76Å; L404-Y2106 HydrophobicContact CG-CD1 3.54Å; L404-Y2106 HydrophobicContact CG-CE1 4.5Å; L404-Y2106 HydrophobicContact CG-CG 4.04Å; I407-Y2106 HydrophobicContact CD1-CE1 4.49Å; H554-Y2106 PolarHBondContact CD2-O 3.38Å; H554-Y2106 PolarHBondContact NE2-O 3.02Å
2107H24.8Very low25.9Very low28 Ų28103.3 Ų103.313%0.1355%0.547CS..  44.1160.994.8-87.2-106.2000120.6S396 D397 L400 N401 L404 H554S396-H2107 PolarHBondContact O-CE1 3.01Å; S396-H2107 PolarHBondContact O-NE2 3.04Å; D397-H2107 WeakPolarHBondContact CA-CE1 3.08Å; D397-H2107 WeakPolarHBondContact CA-NE2 3.35Å; D397-H2107 PolarHBondContact O-CE1 3.26Å; D397-H2107 PolarHBondContact O-ND1 3.45Å; D397-H2107 VanDerWaalsContact O-ND1 3.15Å; D397-H2107 IonicContact OD1-NE2 3.35Å; L400-H2107 VanDerWaalsContact CA-CE1 3.49Å; L400-H2107 WeakPolarHBondContact CA-CE1 3.38Å; L400-H2107 HydrophobicContact CB-CB 4.14Å; L400-H2107 VanDerWaalsContact CB-CD2 3.49Å; L400-H2107 WeakPolarHBondContact CB-CD2 3.43Å; L400-H2107 WeakPolarHBondContact CB-CE1 3.31Å; L400-H2107 WeakPolarHBondContact CB-NE2 3.3Å; L400-H2107 HydrophobicContact CD2-CB 4.46Å; L400-H2107 VanDerWaalsContact CD2-CD2 3.49Å; L400-H2107 WeakPolarHBondContact CD2-CD2 3.48Å; L400-H2107 PolarHBondContact N-CE1 3.04Å; N401-H2107 PolarHBondContact N-CE1 3.33Å; N401-H2107 PolarHBondContact N-ND1 3.23Å; N401-H2107 WeakPolarHBondContact OD1-CB 3.47Å; N401-H2107 PolarHBondContact OD1-ND1 3.07Å; L404-H2107 WeakPolarHBondContact CD1-O 3.3Å; H554-H2107 PolarHBondContact CE1-N 2.92Å; H554-H2107 VanDerWaalsContact CE1-N 3.26Å; H554-H2107 PolarHBondContact NE2-N 3.43Å
2108S27.7Very low26Very low34 Ų34108.4 Ų108.424%0.23857%0.567CS.*  trans92.2122.1160.3-32.70000113L400 N401 L404L400-S2108 PolarHBondContact O-OG 2.89Å; N401-S2108 WeakPolarHBondContact CA-OG 3.36Å; N401-S2108 VanDerWaalsContact O-CB 3.22Å; N401-S2108 WeakPolarHBondContact O-CB 3.46Å; N401-S2108 PolarHBondContact O-OG 3.42Å; N401-S2108 WeakPolarHBondContact OD1-CA 3.48Å; N401-S2108 PolarHBondContact OD1-N 2.58Å; L404-S2108 WeakPolarHBondContact CB-OG 3.49Å; L404-S2108 WeakPolarHBondContact CG-OG 3.15Å
2109L27.2Very low26.1Very low70 Ų70111.4 Ų111.437%0.36657%0.574SS.*  cis-132.9162.332.3-88.368000110.6D405 K491D405-L2109 HydrophobicContact CB-CD1 3.89Å; D405-L2109 HydrophobicContact CB-CD2 4.43Å; D405-L2109 HydrophobicContact CB-CG 3.89Å; D405-L2109 WeakPolarHBondContact OD1-CD1 3.41Å; D405-L2109 WeakPolarHBondContact OD1-CD2 3.19Å; D405-L2109 WeakPolarHBondContact OD2-CD2 3.28Å; K491-L2109 VanDerWaalsContact NZ-CD1 3.32Å
2110H27.7Very low26.1Very low74 Ų74110 Ų11034%0.34358%0.579SS.*  58.8111.861.7-80.7-138.7000112.7
2111M25.4Very low26.1Very low134 Ų134111.7 Ų111.766%0.6658%0.582SS**  82.7148.885.8-71.7-132.3-71.900113.7
2112I27.7Very low26.2Very low139 Ų139114.2 Ų114.271%0.71359%0.588SS**  trans72.6135.9160.4-66.5148.6000115.9
2113P28.5Very low26.1Very low67 Ų67114.6 Ų114.644%0.43559%0.59SS.*  cis-141.2-169.6-2540.3-20.1000115.7Q493Q493-P2113 VanDerWaalsContact CD-CD 3.48Å; Q493-P2113 PolarHBondContact NE2-O 3.28Å
2114C24.3Very low26.3Very low98 Ų98113.2 Ų113.266%0.66259%0.591SS**  trans-50.3-173.1172.5-42.80000118.7
2115E27.8Very low26.5Very low173 Ų173115.6 Ų115.681%0.80861%0.605SS**  trans76.9142.9152.3-75.5162.7-152.200118.3
2116S28.4Very low26.6Very low101 Ų101117.5 Ų117.571%0.70661%0.611SS**  cis-167.3144.8-6.4520000111.4
2117E25.1Very low27Very low152 Ų152120.4 Ų120.471%0.7163%0.632SS**  trans-148.478.8152.8-90.6-100.6115.100109.1K2119E2117-K2119 IonicContact OE1-NZ 3.36Å; E2117-K2119 PolarHBondContact OE1-NZ 3.23Å; E2117-K2119 IonicContact OE2-NZ 3.69Å; E2117-K2119 PolarHBondContact OE2-NZ 3.06Å
2118I27.5Very low27.2Very low168 Ų168125 Ų12586%0.86266%0.657SS**  trans-114.5105.1152.8-66.1-179.2000106.1
2119K27.5Very low27.2Very low140 Ų140129.5 Ų129.561%0.60968%0.678SS**  trans-84.8149.5168.1-65.2-178.2175.473.70108.7E2117E2117-K2119 IonicContact OE1-NZ 3.36Å; E2117-K2119 PolarHBondContact OE1-NZ 3.23Å; E2117-K2119 IonicContact OE2-NZ 3.69Å; E2117-K2119 PolarHBondContact OE2-NZ 3.06Å
2120S27Very low27.2Very low103 Ų103133.4 Ų133.472%0.7270%0.699SS**  trans61.8143.7158.9530000118.4
2121Y26.6Very low27.2Very low214 Ų214133.2 Ų133.284%0.83971%0.71SS**  cis-159117.5-10.5-130.8-116000103.1
2122I25.1Very low27.2Very low138 Ų138132.7 Ų132.771%0.70871%0.714SS**  52.487.876.8-61.1-173.9000114.1
2123Q24.3Very low27.2Very low171 Ų171130.6 Ų130.680%0.79971%0.712SS**  81.5158.1120.5-152.5159-12.800120.5
2124S25.1Very low27Very low105 Ų105133.7 Ų133.773%0.73473%0.725SS**  trans68.4152.3-168.678.50000114
2125V30.1Very low27.2Very low123 Ų123137.5 Ų137.575%0.74573%0.731SS**  cis-130.8129.26.4169.60000106
2126Q26.2Very low27.1Very low152 Ų152134.8 Ų134.871%0.7172%0.721SS**  cis79.479.948.9-157.9179.45.600114.5L2128Q2126-L2128 HydrophobicContact CG-CD1 4.36Å
2127D33.3Very low27.2Very low145 Ų145137.9 Ų137.978%0.77572%0.724SS**  trans-139.7124.7144.2-89.4-43.8000106.6
2128L29.3Very low27.3Very low125 Ų125137.9 Ų137.965%0.65473%0.728SS**  67.6139.664.2-83.384.3000113.8Q2126Q2126-L2128 HydrophobicContact CG-CD1 4.36Å
2129N27.2Very low27.4Very low127 Ų127136.2 Ų136.268%0.67972%0.721SS**  cis-169.4152.6-28.3-137.9-10.1000108.1
2130L27.5Very low27.7Very low153 Ų153134.1 Ų134.180%0.80172%0.721SS**  trans60.3169.3167.4-84.575.7000114.5
2131A27.8Very low27.7Very low69 Ų69133.9 Ų133.957%0.5772%0.72SS**  cis-156.5170.5-28.300000109.7
2132T25.8Very low27.8Very low124 Ų124130.3 Ų130.376%0.76172%0.715SS**  trans50.3104.8149.347.50000119.5
2133S25.8Very low28.1Very low95 Ų95134.2 Ų134.266%0.66472%0.721SS**  81.3136.1120.276.40000121.1
2134N26Very low28.2Very low131 Ų131130.3 Ų130.370%0.70171%0.712SS**  trans77.9121.6136.7-71.6-1.6000120.8
2135F27.7Very low28.4Very low179 Ų179130.8 Ų130.879%0.78571%0.707SS**  trans67.1145.3143.7-76.7-123.2000116.3
2136N26.2Very low28.3Very low115 Ų115132.5 Ų132.562%0.61571%0.707SS**  cis169.9155.5-19.9-116-26.8000104.8
2137H29.1Very low28.4Very low166 Ų166131.4 Ų131.477%0.76971%0.705SS**  trans72.6149.5154.3-91-75.6000122.3
2138I27.8Very low28.1Very low152 Ų152130.8 Ų130.878%0.77970%0.7SS**  trans73.5105.5163.6-58.7146.2000114
2139N29.2Very low28Very low134 Ų134134.1 Ų134.172%0.71771%0.709SS**  cis78.1158.326.6-135.324.7000113.5
2140P34.9Very low27.8Very low96 Ų96135.8 Ų135.862%0.62371%0.714SS**  -132.3-163.1-87.143.4-29000114.3
2141S25.9Very low27.6Very low98 Ų98135.2 Ų135.269%0.68571%0.706SS**  trans76.2129.1157.275.60000119.6
2142N30Very low27.5Very low138 Ų138138.2 Ų138.274%0.73871%0.708SS**  -173.9157.397.1-113.3-59.9000114.2
2143R30.3Very low27.4Very low220 Ų220136.4 Ų136.483%0.8370%0.7SS**  trans51.4119.1160-65.9-174.8174.1163.8-2.2119
2144S26.3Very low27.2Very low89 Ų89137.7 Ų137.762%0.62270%0.696SS**  cis99.8157.137.774.50000114.1
2145D29.4Very low27.2Very low116 Ų116137.3 Ų137.362%0.6269%0.692SS**  trans85.4111163.2-64.8-77.2000120.6
2146Q29.6Very low27.1Very low159 Ų159134.9 Ų134.974%0.74368%0.684SS**  81.9142.3124.7-69.1-178.94900120.1
2147I27.8Very low27Very low129 Ų129137.3 Ų137.366%0.66269%0.689SS**  cis-164.1152.1-17.6-131.2175.2000111.1
2148I26.4Very low26.8Very low131 Ų131134.5 Ų134.567%0.67269%0.685SS**  trans33.8115.6155.9-56.2156.2000119.7
2149K26.8Very low26.6Very low196 Ų196134 Ų13485%0.85267%0.674SS**  -169.3170.5111.1-122.7117.8-170.6179.40114.5
2150M23.3Very low26.4Very low161 Ų161134.9 Ų134.979%0.79368%0.677SS**  trans-100.2168.7-171.5-61.1176.4170.800114.5
2151K24.3Very low26Very low142 Ų142138.6 Ų138.662%0.61769%0.691SS**  trans81.2132.5139.2-103.9167.5155.6-90.40120
2152E24Very low26Very low131 Ų131139.3 Ų139.361%0.61268%0.682SS**  trans62.6157.5144.1-75.2152.1173.700119.2
2153S23.7Very low25.8Very low86 Ų86137 Ų13760%0.60168%0.677SS**  cis178.3130-36.852.80000108.7
2154E22.8Very low25.8Very low122 Ų122128.5 Ų128.557%0.5765%0.65SS**  trans-167.6157.6158.3-123.3164-158.600116Q825 R857Q825-E2154 PolarHBondContact NE2-O 3.13Å; Q825-E2154 VanDerWaalsContact OE1-N 3.14Å; R857-E2154 IonicContact NH2-OE2 2.64Å; R857-E2154 PolarHBondContact NH2-OE2 2.93Å
2155I26Very low26.1Very low123 Ų123129.9 Ų129.963%0.63166%0.655SS**  trans78122.1169.9-43.6-175.7000117.7
2156Q24.5Very low26Very low129 Ų129131 Ų13160%0.60367%0.666SS**  cis-164.4100.5-36.7-125.1-175.230.300111.9
2157F24.8Very low26.1Very low165 Ų165127.7 Ų127.772%0.72466%0.66SS**  trans-69.5133.8155.2-93.5-87.6000109R2159F2157-R2159 PolarHBondContact O-N 3.02Å
2158P25Very low26.2Very low107 Ų107128 Ų12870%0.69566%0.663SS**  trans-77.182.4175.230.7-33.4000111.7
2159R24.2Very low26.3Very low143 Ų143128.3 Ų128.354%0.5467%0.666SS.*  trans-138.2114.3166.4-78.9-164.5-180143.49.2114.6E1157 F2157E1157-R2159 VanDerWaalsContact CD-CZ 3.43Å; E1157-R2159 IonicContact OE1-CZ 3.77Å; E1157-R2159 IonicContact OE1-NE 3.96Å; E1157-R2159 IonicContact OE1-NH1 3.7Å; E1157-R2159 PolarHBondContact OE1-NH1 2.67Å; E1157-R2159 VanDerWaalsContact OE1-NH1 3.13Å; E1157-R2159 IonicContact OE1-NH2 2.67Å; E1157-R2159 PolarHBondContact OE1-NH2 3.02Å; E1157-R2159 IonicContact OE2-CZ 2.68Å; E1157-R2159 IonicContact OE2-NH1 2.73Å; E1157-R2159 PolarHBondContact OE2-NH1 2.88Å; E1157-R2159 IonicContact OE2-NH2 3.13Å; E1157-R2159 PolarHBondContact OE2-NH2 2.99Å; F2157-R2159 PolarHBondContact O-N 3.02Å
2160L25.3Very low26.5Very low151 Ų151129.2 Ų129.279%0.79167%0.671SS**  48.6112.7126.4-62.9169.4000119.4
2161L26.6Very low26.5Very low174 Ų174126.3 Ų126.391%0.91166%0.658SS**  trans137.3159.4130.6-74.5155000116.7
2162K25Very low26.5Very low114 Ų114124.3 Ų124.350%0.49666%0.662SS.*  trans-84138.9-172-58.9177.6-176.9-165.80114T1798 T1799T1798-K2162 WeakPolarHBondContact O-CE 3.43Å; T1798-K2162 PolarHBondContact O-NZ 2.95Å; T1799-K2162 WeakPolarHBondContact O-CE 3.43Å
2163S25Very low26.6Very low90 Ų90124.9 Ų124.963%0.62967%0.668SS**  trans-169.2156.4145.3-1550000111.5F1795F1795-S2163 PolarHBondContact O-OG 3.47Å
2164P31.6Very low26.8Very low41 Ų41130 Ų13027%0.26668%0.675SS.*  trans-126.8170.4-17043.5-31000117.6F1795F1795-P2164 HydrophobicContact CB-CG 3.48Å; F1795-P2164 VanDerWaalsContact CB-CG 3.48Å; F1795-P2164 HydrophobicContact CD1-CG 4.14Å; F1795-P2164 HydrophobicContact CG-CG 4.15Å
2165T31.9Very low27.2Very low117 Ų117134.1 Ų134.172%0.71869%0.687SS**  trans51.7110.8152.751.60000121.1
2166T28.4Very low27.7Very low141 Ų141134.5 Ų134.587%0.86570%0.698SS**  178.6149125.921.30000107.2
2167S31.2Very low28Very low88 Ų88135.5 Ų135.562%0.61571%0.706SS**  cis-150.2-162.4-2.535.10000106.8
2168D30.3Very low28.6Very low135 Ų135136.2 Ų136.272%0.72271%0.709SS**  cis-151.4177.315.9-74.9-81.2000110.2
2169D28.3Very low28.9Very low139 Ų139138.2 Ų138.274%0.74371%0.708SS**  trans26.9104.2155.7-64.9-14.1000121.1
2170F30.2Very low29.1Very low215 Ų215139.3 Ų139.394%0.94372%0.719SS**  -162163.2107.1-110.4-75.4000111
2171N24Very low29.3Very low100 Ų100143.3 Ų143.354%0.53572%0.724SS.*  trans-111.4143.3-149.7-111.2-48.3000116.8N1826N1826-N2171 PolarHBondContact OD1-ND2 3.33Å
2172S24.3Very low29.6Very low100 Ų100141.5 Ų141.570%0.69972%0.72SS**  trans90.1146.9139.781.90000123.8
2173I24.8Very low29.7Very low143 Ų143139.1 Ų139.173%0.73373%0.728SS**  trans11093.4149.8-66.3164.5000121.4
2174Y28.2Very low30.1Very low192 Ų192139.6 Ų139.675%0.75373%0.731SS**  trans73.2158.5138.5-77.9-100.4000125.2
2175Y30.8Very low29.8Very low210 Ų210143.7 Ų143.782%0.82475%0.75SS**  trans-151.8149.2-173.6-31.1-98.4000114.2
2176P36.8Very low29.6Very low131 Ų131143.5 Ų143.585%0.85175%0.749SS**  trans-117.2159.5164.338.5-28.2000114.5
2177I31.5Very low29.3Very low149 Ų149143.6 Ų143.676%0.76474%0.738SS**  trans-145.9136.3-162.4-74.2162000115.6
2178K38.2Very low29Very low181 Ų181147.7 Ų147.779%0.78774%0.741SS**  trans68.3156.8159.1-87.6-175.3174.6-173.10122.5
2179H30.6Very low28.7Very low148 Ų148146.1 Ų146.169%0.68574%0.74SS**  trans81.7150.7157.1-81-74.3000121.9
2180H28.7Very low28.4Very low166 Ų166144.9 Ų144.977%0.76974%0.741SS**  trans-6.8140.7170.8-57.8-76.7000118.8
2181R28.1Very low28.4Very low236 Ų236139.7 Ų139.789%0.89173%0.729SS**  -163.3-179.766.9-136.5172.3-174.1162.80.8114.5
2182T33.9Very low28.8Very low135 Ų135138.3 Ų138.383%0.82873%0.726SS**  trans-63.2147169.846.30000113.6
2183G28Very low29Very low64 Ų64139.6 Ų139.666%0.6672%0.72SS**  trans142.1103.5-179.200000108.8
2184S32.7Very low29.4Very low100 Ų100137.9 Ų137.970%0.69971%0.709SS**  cis70.738.928.4-159.40000115.2T2186S2184-T2186 PolarHBondContact O-OG1 3.26Å
2185L24.7Very low29.5Very low127 Ų127134.7 Ų134.767%0.66571%0.71SS**  trans-135.796.6154.1-73.590.2000104.8F2187L2185-F2187 VanDerWaalsContact C-N 3.34Å; L2185-F2187 HydrophobicContact CB-CD2 3.6Å; L2185-F2187 HydrophobicContact CB-CE2 4.19Å; L2185-F2187 HydrophobicContact CB-CG 4.43Å; L2185-F2187 HydrophobicContact CD2-CD2 3.57Å; L2185-F2187 HydrophobicContact CD2-CE2 3.54Å; L2185-F2187 HydrophobicContact CD2-CG 4.22Å; L2185-F2187 HydrophobicContact CD2-CZ 4.16Å; L2185-F2187 HydrophobicContact CG-CD2 3.64Å; L2185-F2187 HydrophobicContact CG-CE2 3.69Å
2186T29.1Very low29.6Very low114 Ų114129.3 Ų129.370%0.69970%0.703SS**  cis56.433.628.172.70000114.4S2184S2184-T2186 PolarHBondContact O-OG1 3.26Å
2187F21.9Very low29.5Very low142 Ų142127.7 Ų127.762%0.62370%0.695SS**  trans-110.287.9174.3-91.7-116000110.9L2185L2185-F2187 VanDerWaalsContact C-N 3.34Å; L2185-F2187 HydrophobicContact CB-CD2 3.6Å; L2185-F2187 HydrophobicContact CB-CE2 4.19Å; L2185-F2187 HydrophobicContact CB-CG 4.43Å; L2185-F2187 HydrophobicContact CD2-CD2 3.57Å; L2185-F2187 HydrophobicContact CD2-CE2 3.54Å; L2185-F2187 HydrophobicContact CD2-CG 4.22Å; L2185-F2187 HydrophobicContact CD2-CZ 4.16Å; L2185-F2187 HydrophobicContact CG-CD2 3.64Å; L2185-F2187 HydrophobicContact CG-CE2 3.69Å
2188Y23.2Very low29.8Very low175 Ų175129.3 Ų129.369%0.68670%0.699SS**  trans62.9113154.8-55.1-78.2000115.9
2189S24.7Very low29.6Very low101 Ų101126.5 Ų126.571%0.70670%0.701SS**  cis43.47040.2-61.40000112.2
2190C23.2Very low29.7Very low114 Ų114124 Ų12477%0.7770%0.7SS**  trans-121.9143.3154.3-84.70000108.6
2191P29.8Very low29.9Very low106 Ų106124.1 Ų124.169%0.68870%0.702SS**  -131.3-158.6-118.841.1-23.9000111.3
2192P32Very low30.1Very low71 Ų71119.7 Ų119.746%0.46170%0.696SS.*  trans-64.8-171.6167-21.935.7000113.3H283H283-P2192 HydrophobicContact CB-CB 3.95Å; H283-P2192 HydrophobicContact CB-CG 4.29Å
2193H29.2Very low31Very low126 Ų126118.3 Ų118.358%0.58369%0.69SS**  trans78.2127.7-175.6-51-76.4000113H283H283-H2193 AromaticContact CE1-CE1 3.33Å; H283-H2193 PolarHBondContact CE1-CE1 2.81Å; H283-H2193 AromaticContact CE1-CG 3.97Å; H283-H2193 AromaticContact CE1-ND1 3.26Å; H283-H2193 PolarHBondContact CE1-ND1 2.96Å; H283-H2193 VanDerWaalsContact CE1-ND1 3.26Å; H283-H2193 AromaticContact NE2-CE1 3.02Å; H283-H2193 PolarHBondContact NE2-CE1 3Å; H283-H2193 AromaticContact NE2-ND1 3.47Å; H283-H2193 PolarHBondContact NE2-ND1 3.19Å; H283-H2193 AromaticContact NE2-NE2 3.73Å
2194E32.9Very low31.3Very low108 Ų108120.7 Ų120.751%0.50570%0.696SS.*  58.3118.965.2-52.6162.7154.600109.5T282 H283T282-E2194 WeakPolarHBondContact CB-OE1 3.5Å; T282-E2194 WeakPolarHBondContact CG2-OE1 3.15Å; T282-E2194 PolarHBondContact OG1-OE1 3.47Å; H283-E2194 IonicContact CE1-OE1 3.77Å; H283-E2194 IonicContact CE1-OE2 3.47Å; H283-E2194 PolarHBondContact CE1-OE2 3.3Å
2195T30.3Very low31.4Very low125 Ų125120.5 Ų120.577%0.76770%0.701SS**  cis-166.3168.649.343.70000113.7
2196S31.3Very low31.8Very low96 Ų96119.7 Ų119.767%0.67171%0.706SS**  trans40.5111.3145.762.50000123.6
2197S35.8Very low32Very low97 Ų97118.4 Ų118.468%0.67871%0.707SS**  34.5134.1125.4660000124
2198H38.4Very low32.2Very low183 Ų183120.8 Ų120.885%0.84772%0.717SS**  trans68.1155.1168.6-58.9-77.2000115.4
2199C33.5Very low32.6Very low123 Ų123117.6 Ų117.683%0.83172%0.716SS**  cis-141.8-147.817.1-150.30000113.8
2200S33Very low32.6Very low95 Ų95122 Ų12266%0.66472%0.722SS**  trans-114.1159.7-152.658.30000119.8
2201M32.7Very low32.9Very low168 Ų168128.7 Ų128.783%0.82874%0.741SS**  trans94130.6143.5-91.1175.916200123.9
2202D31.7Very low33.1Very low143 Ų143129.8 Ų129.877%0.76574%0.744SS**  trans78.4155138.7-77.625000125
2203P52.3Low33.1Very low107 Ų107132.9 Ų132.970%0.69576%0.759SS**  trans-128.6171.5-151.543.7-29.6000116.6
2204S35.2Very low33.3Very low113 Ų113133.3 Ų133.379%0.7977%0.769SS**  157.1151.9127.955.50000113.9
2205A34Very low33.4Very low97 Ų97134.8 Ų134.880%0.80278%0.784SS**  trans59.5156.1162.300000118.8
2206S33.4Very low33.6Very low109 Ų109135.4 Ų135.476%0.76279%0.785SS**  cis-167.6156.4-28.355.80000110.1
2207A33.1Very low33.7Very low87 Ų87138 Ų13872%0.71979%0.793SS**  trans74.8136.9158.300000120.3
2208F26.8Very low33.6Very low193 Ų193140.9 Ų140.985%0.84680%0.801SS**  trans52.2119.7157.2-79.7-111.7000119.9
2209V31.4Very low33.2Very low107 Ų107137.7 Ų137.765%0.64880%0.798SS**  cis89.6121.742172.90000114
2210K24.9Very low33.2Very low195 Ų195138.9 Ų138.985%0.84880%0.795SS**  trans68.5137.9176.3-70.6168.9-178.4179.60113.8
2211H29.5Very low33.2Very low253 Ų253142.9 Ų142.9100%1.17181%0.807SS**  cis-92.9032.7-141.4-51.6000117.5

Retrieved 2,211 of 2,211 residues in 712.8 ms (Link to these results)

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