A0A3Q0KQP2_SCHMA Loading...

DNA-directed RNA polymerase subunit

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A3Q0KQP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,904 aa.

>A0A3Q0KQP2_SCHMA|A0A3Q0KQP2
MPPIVGGAPPLREVRALQFGILSPDEIKELSVTPDGGIKYAETMEGGKPKLGGLMDPRQGCVDRSSICQTCSGSVSSCPGHFGHVELAKPVFHIGFLKKTMKVLRCVCFYCSKILVDVQSSRIQEILRKTKGDNRRRMSFMYEECKTRSECISNDDQVQSENDVSLSSKVKRSGCGRYQPRFRRNGLELTAEWKKVNEESQERKINLTAERVLEVFKRMSDEDCLSLGFDPRYARPDWMIATVLPVPPLCVRPAVVMYGATRNQDDLTHKLADIIKANNQLRRDEQNGAAAHIIAEDIKMLQFHVTTMVDNEVPGLPKAIQKSGRPLKSIKQRLKGKAGRIRGNLMGKRVDFSARTVITADPNLNLDQVGVPRTIAQNLTYPEIVTQFNIDHLQKLVQNGTLYPGAKFIVRENGDRIDLRYHPKVSDLTLQVGYIVERHMLNDDFVIFNRQPTLHKMSMMCHRVKVLPWSTFRLNLSVTSPYNADFDGDEMNLHLPQSVETKAEISQLARVSRLVITPQANKPVMGIVQDTLTAVNKMTQRDVFLNRSEMMNLLMYLPTWNGRMPKPAIYKPQRLWTGKQLFSLVIPGRVNCIRTHSTHPEEEDIGPYKWISPGDTKVIVDDGDLISGILCKKTLGSGAGSLIHIVALEHHHDQVNMFFNNIQTVVNNWLLIEGHTIGIADTLYDQATRRQISGTITKAKDAVFEIIDQAHNYDLQPTPGNTLRQTFENSVNKILNDARDKTGSCAQRSLSKYNNFNIMVVAGSKGSRINISQVIACVGQQNVEGKRIPFGFRHRTLPHFIQDDYGPESRGFVENSYLAGLTPTEFFFHAMGGREGLIDTAVKTAETGYIQRRLIKAMESVMIKYDGTVRNQINQLIQLRYGEDGLDATHVEFQRLPTFKPSNAVFEHGFRFDIGNERVLRRCMPEDVVRSLATDSQTQSELESEWLQLCSDREILRSVIKKTDDSVVLPCNINRLVMNAQKIFEIDPLSKTNIHPRQVVEMVRETCKRLIVVPGDDRLSKEANANATLLLSSLIRASLCSKKVIIDYRLSYEALDWVLGEVRARFQQAHIHPGEMVGALAAQSLGEPATQMTLNTFHYAGVSAKNVTLGVPRLKEIINVSKRPKTPSMTIFLTGQAARDAERTKDVVARLEHTTLRKLVNSTYIYYDPDPQNTVVEEDREWVSTYYELPDFDVNAISSWMLRIEFTRKGMTGKKLSMEQIADKITRAFGNDLICHIPDDNLKLVMRIRIMNSDLEKDFKDADTTSDKMEDDTFLRFIEANLLTDITLQGIPQITKVYMHLPKTQDKKRVVIKDDGSFDTVAEWMLETDGTCLMRVLAERDVDPVRTVSNDIVEIFEALGIEAVRKAIECEMHHVISFDGSYVNYRHLALLCDIMTVKGHLMAITRHGLNRLDTGALARCSFEETVDILMEAAIHSECDPMAGVSETIMLGQLARIGTGCFDLLLDSAKCQEAQPIPLGGVLGMGLFNAPGFEGLAALASPGLGLTMNADGIPVLGDSGYHTPWDNAHSPVGSVDSPSYRGGLGGATAPHNAMFSPAMRYDSSLSPGRSPQLDSPRTPEAFSPAAYVGFSSPMSFMGTPQTELGSPGSSPGHSGSLSSGSFGYGGPGSLRADIFSPIHKPSYAGTGSSSSFSASGDSNSPTFSLQQSYEPMSVGYTQRSPHHPSFSGYGMISSGSLGPSSDSPDSINYSYSPNSPMPTGGGSSMSRDFSGWGVLPGSETPGVSPSSPSPGMSASSLSGSRPSFYPNSQPASPLSFNASPSAPRYSPPTLAGSSSVESYSPQMTTPSSPGGAPSGTLGGPSNSPLSYPTTPNYPMSHGLSTGTGLGSSSLLGYSGTGFSGSTLGTSAYSPSTFHTPSSHYFMTTPRPGSPSPSPREYYPTPDTRR
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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
1M31.5Very low50.6Low207 Ų207115.9 Ų115.9100%1.0276%0.757SS**  0136.30-70.7-174.9168.900109.6
2P29.1Very low53.7Low101 Ų101123.8 Ų123.866%0.65676%0.761SS**  trans-70.8151.1166.431.8-33.7000110.5I4P2-I4 PolarHBondContact O-N 3.09Å; P2-I4 VanDerWaalsContact O-N 3.15Å
3P30.5Very low56.2Low134 Ų134123.9 Ų123.987%0.8775%0.747SS**  trans-7999.5-174.830.9-33.8000111.6V5P3-V5 PolarHBondContact O-N 3.05Å
4I40Very low58.7Low133 Ų133119.7 Ų119.768%0.68272%0.722SS**  trans-87.2108.2179.4-63176.5000110.2P2P2-I4 PolarHBondContact O-N 3.09Å; P2-I4 VanDerWaalsContact O-N 3.15Å
5V41.1Very low60.9Low131 Ų131125.9 Ų125.979%0.79473%0.727SS**SBendtrans66.1108.7175.4-172.20000114.6P3P3-V5 PolarHBondContact O-N 3.05Å
6G36.8Very low62.8Low77 Ų77121.4 Ų121.479%0.79471%0.71SS**SBendtrans-71.5149.6-177.900000114.5
7G46Very low64.5Low81 Ų81116.9 Ų116.984%0.83568%0.682SS**  trans78.522.5156.900000117.6
8A62.9Low66.2Low89 Ų89114.6 Ų114.674%0.73666%0.663SS**PPolyproline II helixtrans-58.5131.616900000110.4
9P75.2Confident67.7Low113 Ų113110.1 Ų110.173%0.73464%0.635SS**PPolyproline II helixtrans-63.6150.2176.827.2-34.4000110.5L11P9-L11 PolarHBondContact O-N 3.08Å
10P80.8Confident69Low94 Ų94106.2 Ų106.261%0.6162%0.62SS**PPolyproline II helixtrans-61.1132178.226.3-34.4000109.9R12P10-R12 PolarHBondContact O-N 3.47Å
11L83.4Confident70.2Confident115 Ų115101.9 Ų101.960%0.60259%0.594SS**PPolyproline II helixtrans-60.3131.7174-16874.9000109.1P9 S1555 A1557P9-L11 PolarHBondContact O-N 3.08Å; L11-S1555 WeakPolarHBondContact CD2-OG 3.45Å; L11-A1557 HydrophobicContact CD2-CB 4.16Å
12R87.4Confident73.2Confident211 Ų21195.9 Ų95.980%0.79657%0.566SS**  trans-140.6146.3179-70-175.4178.2-171.80.4110.2P10P10-R12 PolarHBondContact O-N 3.47Å
13E86.6Confident76.2Confident125 Ų12591.9 Ų91.958%0.58454%0.54SS*.  trans-80.6146170.7-59.9-179.8156.800111R15E13-R15 PolarHBondContact O-N 3.27Å
14V91.4Very high79.2Confident65 Ų6586.7 Ų86.739%0.39451%0.506SS..  trans-77.9103.9174-176.80000108A16 M1441 L1450 Q1452V14-A16 WeakPolarHBondContact CG1-O 3.31Å; V14-M1441 WeakPolarHBondContact O-CG 3.46Å; V14-L1450 HydrophobicContact CB-CD1 3.92Å; V14-L1450 HydrophobicContact CG1-CD1 4.08Å; V14-L1450 HydrophobicContact CG2-CD1 4.32Å; V14-Q1452 VanDerWaalsContact CB-NE2 3.35Å
15R90.7Very high81.7Confident213 Ų21385.5 Ų85.580%0.80450%0.501SS*.  trans-78.8-22.6-178.2-67-176.8174.7-173.4-3.7114.6E13E13-R15 PolarHBondContact O-N 3.27Å
16A91.7Very high84.2Confident54 Ų5482.9 Ų82.945%0.44648%0.481SS..  trans-159.6152.6179.300000109.2V14 D1439V14-A16 WeakPolarHBondContact CG1-O 3.31Å; A16-D1439 CarbonylContact C-O 3.55Å; A16-D1439 WeakPolarHBondContact CA-O 3.03Å
17L92.6Very high86.9Confident45 Ų4580 Ų8024%0.23645%0.447CS..EExtended strand (participates in β ladder)trans-125.7116177.2-169.5161.7000109.2F19 L1417 D1439 M1441L17-F19 HydrophobicContact CD2-CD1 4.21Å; L17-F19 HydrophobicContact CD2-CD2 3.83Å; L17-F19 HydrophobicContact CD2-CE1 3.95Å; L17-F19 HydrophobicContact CD2-CE2 3.54Å; L17-F19 HydrophobicContact CD2-CG 4.16Å; L17-F19 HydrophobicContact CD2-CZ 3.62Å; L17-L1417 HydrophobicContact CD1-CD1 4.02Å; L17-D1439 HydrophobicContact CB-CB 4.49Å; L17-D1439 PolarHBondContact N-O 2.73Å; L17-D1439 PolarHBondContact O-N 3.45Å; L17-M1441 HydrophobicContact CB-CE 3.9Å; L17-M1441 HydrophobicContact CB-SD 4.22Å
18Q94.1Very high89.1Confident75 Ų7580.2 Ų80.235%0.3543%0.425SS..EExtended strand (participates in β ladder)trans-89.9120.8177.7-178.659.657.800109.9Y233 S1436 E1437Q18-Y233 HydrophobicContact CG-CD1 3.96Å; Q18-Y233 HydrophobicContact CG-CD2 4.26Å; Q18-Y233 HydrophobicContact CG-CE1 3.86Å; Q18-Y233 HydrophobicContact CG-CE2 4.17Å; Q18-Y233 HydrophobicContact CG-CG 4.16Å; Q18-S1436 VanDerWaalsContact NE2-C 3.31Å; Q18-S1436 PolarHBondContact NE2-O 3.45Å; Q18-E1437 PolarHBondContact NE2-O 2.95Å
19F94.4Very high90.4Very high29 Ų2983.8 Ų83.813%0.12743%0.426CS..  trans-84.2153.7169.2-69.9-85.1000111L17 A1416 L1417 L1429 A1432 S1436 E1437 D1439L17-F19 HydrophobicContact CD2-CD1 4.21Å; L17-F19 HydrophobicContact CD2-CD2 3.83Å; L17-F19 HydrophobicContact CD2-CE1 3.95Å; L17-F19 HydrophobicContact CD2-CE2 3.54Å; L17-F19 HydrophobicContact CD2-CG 4.16Å; L17-F19 HydrophobicContact CD2-CZ 3.62Å; F19-A1416 HydrophobicContact CD2-CB 4.14Å; F19-A1416 HydrophobicContact CE2-CB 3.64Å; F19-A1416 HydrophobicContact CZ-CB 4.1Å; F19-L1417 HydrophobicContact CZ-CD2 3.88Å; F19-L1417 HydrophobicContact CZ-CG 4.01Å; F19-L1429 HydrophobicContact CE1-CD2 3.71Å; F19-L1429 HydrophobicContact CZ-CD2 3.97Å; F19-A1432 HydrophobicContact CB-CB 4.29Å; F19-A1432 HydrophobicContact CD1-CB 4.44Å; F19-A1432 HydrophobicContact CD2-CB 4.2Å; F19-A1432 HydrophobicContact CG-CB 4.06Å; F19-S1436 WeakPolarHBondContact O-CA 3.43Å; F19-E1437 WeakPolarHBondContact CB-O 3.5Å; F19-E1437 WeakPolarHBondContact CD2-O 3.08Å; F19-E1437 PolarHBondContact N-O 3.17Å; F19-D1439 HydrophobicContact CE2-CB 4.1Å
20G94.1Very high91.2Very high32 Ų3283.1 Ų83.133%0.3342%0.416SS..  trans-172.3177.5178.200000111.8Y233 A1433G20-Y233 CarbonylContact C-O 3.57Å; G20-Y233 WeakPolarHBondContact CA-O 3.45Å; G20-A1433 WeakPolarHBondContact CA-O 3.17Å; G20-A1433 WeakPolarHBondContact O-CB 3.07Å
21I94.6Very high91.8Very high16 Ų1679.6 Ų79.68%0.08239%0.393CS..  trans-104.6124.9170.7-54.9178.8000107S23 F96 Y233 A234 W238 M239 A1433 I1434I21-S23 PolarHBondContact O-N 3.26Å; I21-F96 HydrophobicContact CD1-CD2 4.43Å; I21-F96 HydrophobicContact CD1-CE2 4.05Å; I21-F96 HydrophobicContact CD1-CZ 4.09Å; I21-F96 HydrophobicContact CG1-CE2 4.33Å; I21-F96 HydrophobicContact CG1-CZ 4.11Å; I21-F96 HydrophobicContact CG2-CE2 4.07Å; I21-F96 HydrophobicContact CG2-CZ 4.49Å; I21-Y233 PolarHBondContact N-O 2.89Å; I21-A234 HydrophobicContact CD1-CB 4.36Å; I21-A234 HydrophobicContact CG1-CB 4.23Å; I21-W238 HydrophobicContact CB-CB 4.37Å; I21-W238 HydrophobicContact CG2-CB 3.81Å; I21-W238 WeakPolarHBondContact CG2-O 3.37Å; I21-M239 HydrophobicContact CD1-CG 3.79Å; I21-A1433 HydrophobicContact CG1-CB 4.43Å; I21-I1434 HydrophobicContact CD1-CG1 4.31Å
22L93.4Very high92.2Very high81 Ų8175.8 Ų75.842%0.42438%0.375SS..  trans-61.4130.5176.3-65.4171.9000110.1E26 I27 L30L22-E26 WeakPolarHBondContact CA-OE2 3.35Å; L22-E26 HydrophobicContact CD2-CG 4.26Å; L22-I27 HydrophobicContact CB-CD1 3.99Å; L22-I27 HydrophobicContact CB-CG1 3.78Å; L22-I27 HydrophobicContact CD1-CG1 4.26Å; L22-L30 HydrophobicContact CD2-CD1 4.33Å
23S93.6Very high92.2Very high16 Ų1665.8 Ų65.811%0.11234%0.338CS..  trans-72.3152.9175.773.10000111I21 D25 E26 I27I21-S23 PolarHBondContact O-N 3.26Å; S23-D25 PolarHBondContact O-N 2.62Å; S23-E26 PolarHBondContact N-OE2 2.69Å; S23-E26 PolarHBondContact O-N 2.89Å; S23-E26 WeakPolarHBondContact OG-CB 3.34Å; S23-E26 PolarHBondContact OG-N 3.27Å; S23-E26 VanDerWaalsContact OG-N 3.09Å; S23-I27 WeakPolarHBondContact O-CD1 3.48Å; S23-I27 VanDerWaalsContact O-CG1 3.3Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.08Å
24P93.2Very high91.8Very high25 Ų2563.1 Ų63.116%0.16233%0.331CS..Hα-helixtrans-56.6-30.7175.6-27.436.6000114K28 T242 V243P24-K28 PolarHBondContact O-N 3.38Å; P24-T242 WeakPolarHBondContact CB-OG1 3.44Å; P24-T242 WeakPolarHBondContact CG-OG1 3.35Å; P24-V243 HydrophobicContact CB-CB 4.49Å; P24-V243 HydrophobicContact CB-CG2 4.07Å
25D92.6Very high90.9Very high108 Ų10866.6 Ų66.658%0.57835%0.347SS*.Hα-helixtrans-77.7-46.3-179.2-55.2-47.4000110.5S23 I27 K28 E29S23-D25 PolarHBondContact O-N 2.62Å; D25-I27 VanDerWaalsContact C-N 3.28Å; D25-I27 PolarHBondContact O-N 3.3Å; D25-K28 WeakPolarHBondContact O-CA 3.47Å; D25-K28 WeakPolarHBondContact O-CB 3.29Å; D25-K28 PolarHBondContact O-N 2.8Å; D25-E29 PolarHBondContact O-N 2.88Å
26E92.1Very high90Very high76 Ų7657.4 Ų57.436%0.35532%0.319SS..Hα-helixtrans-57.4-37.6172.1-178.5-177.8-160.300112.3L22 S23 K28 E29 L30L22-E26 WeakPolarHBondContact CA-OE2 3.35Å; L22-E26 HydrophobicContact CD2-CG 4.26Å; S23-E26 PolarHBondContact N-OE2 2.69Å; S23-E26 PolarHBondContact O-N 2.89Å; S23-E26 WeakPolarHBondContact OG-CB 3.34Å; S23-E26 PolarHBondContact OG-N 3.27Å; S23-E26 VanDerWaalsContact OG-N 3.09Å; E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 PolarHBondContact O-N 3.25Å; E26-E29 PolarHBondContact O-N 3.23Å; E26-L30 HydrophobicContact CG-CD1 3.91Å; E26-L30 HydrophobicContact CG-CG 4.33Å; E26-L30 WeakPolarHBondContact O-CB 3.47Å; E26-L30 VanDerWaalsContact O-CG 3.23Å; E26-L30 WeakPolarHBondContact O-CG 3.31Å; E26-L30 PolarHBondContact O-N 3.09Å
27I93.6Very high89.8Confident17 Ų1755 Ų559%0.08730%0.3CS..Hα-helixtrans-62.7-33.9174.4-67.9160.7000111.7L22 S23 D25 H84 V243 P245L22-I27 HydrophobicContact CB-CD1 3.99Å; L22-I27 HydrophobicContact CB-CG1 3.78Å; L22-I27 HydrophobicContact CD1-CG1 4.26Å; S23-I27 WeakPolarHBondContact O-CD1 3.48Å; S23-I27 VanDerWaalsContact O-CG1 3.3Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.08Å; D25-I27 VanDerWaalsContact C-N 3.28Å; D25-I27 PolarHBondContact O-N 3.3Å; I27-H84 HydrophobicContact CG2-CB 4.08Å; I27-V243 HydrophobicContact CB-CG1 4.31Å; I27-V243 HydrophobicContact CG2-CB 4.3Å; I27-V243 HydrophobicContact CG2-CG1 3.6Å; I27-P245 HydrophobicContact CG2-CB 3.98Å
28K92.7Very high89.8Confident85 Ų8553.1 Ų53.137%0.3729%0.29SS..Hα-helixtrans-75.2-43.5174.7-65.7-173.5-169.3-161.30111.3P24 D25 E26 L30 S31 E86 V243P24-K28 PolarHBondContact O-N 3.38Å; D25-K28 WeakPolarHBondContact O-CA 3.47Å; D25-K28 WeakPolarHBondContact O-CB 3.29Å; D25-K28 PolarHBondContact O-N 2.8Å; E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 PolarHBondContact O-N 3.25Å; K28-L30 VanDerWaalsContact C-N 3.35Å; K28-L30 PolarHBondContact O-N 3.16Å; K28-S31 VanDerWaalsContact O-CB 3.28Å; K28-S31 WeakPolarHBondContact O-CB 3.38Å; K28-S31 PolarHBondContact O-N 3.13Å; K28-E86 WeakPolarHBondContact CE-OE1 3.31Å; K28-E86 IonicContact NZ-OE1 3.1Å; K28-E86 PolarHBondContact NZ-OE1 2.89Å; K28-V243 VanDerWaalsContact CE-CG2 3.49Å; K28-V243 HydrophobicContact CG-CG1 4.26Å; K28-V243 HydrophobicContact CG-CG2 4.38Å
29E91.4Very high89.7Confident165 Ų16554 Ų5477%0.77129%0.292SS*.Hα-helixtrans-61.5-39.3178.2-70-179.9174.400112.7D25 E26 S31D25-E29 PolarHBondContact O-N 2.88Å; E26-E29 PolarHBondContact O-N 3.23Å; E29-S31 PolarHBondContact O-N 3.1Å
30L90.4Very high89.6Confident98 Ų9857.6 Ų57.651%0.51331%0.306SS..THydrogen-bonded Turntrans-71.5-7.4175.2-70.1171.9000113.7L22 E26 K28L22-L30 HydrophobicContact CD2-CD1 4.33Å; E26-L30 HydrophobicContact CG-CD1 3.91Å; E26-L30 HydrophobicContact CG-CG 4.33Å; E26-L30 WeakPolarHBondContact O-CB 3.47Å; E26-L30 VanDerWaalsContact O-CG 3.23Å; E26-L30 WeakPolarHBondContact O-CG 3.31Å; E26-L30 PolarHBondContact O-N 3.09Å; K28-L30 VanDerWaalsContact C-N 3.35Å; K28-L30 PolarHBondContact O-N 3.16Å
31S93.1Very high89.4Confident20 Ų2056.8 Ų56.814%0.1430%0.296CS..  trans-92.4125.5-169.9-168.20000113.7K28 E29 T33 F82 G83 H84K28-S31 VanDerWaalsContact O-CB 3.28Å; K28-S31 WeakPolarHBondContact O-CB 3.38Å; K28-S31 PolarHBondContact O-N 3.13Å; E29-S31 PolarHBondContact O-N 3.1Å; S31-T33 VanDerWaalsContact C-N 3.25Å; S31-T33 PolarHBondContact O-N 2.74Å; S31-T33 PolarHBondContact OG-OG1 3.15Å; S31-T33 VanDerWaalsContact OG-OG1 3.13Å; S31-F82 WeakPolarHBondContact CA-O 3.5Å; S31-F82 PolarHBondContact OG-O 3.28Å; S31-G83 VanDerWaalsContact OG-C 3.23Å; S31-G83 VanDerWaalsContact OG-CA 3.31Å; S31-G83 WeakPolarHBondContact OG-CA 3.4Å; S31-H84 WeakPolarHBondContact CB-ND1 3.47Å; S31-H84 PolarHBondContact OG-N 3.07Å; S31-H84 PolarHBondContact OG-ND1 3.5Å
32V92Very high89.1Confident36 Ų3660.5 Ų60.522%0.21831%0.313CS..SBendtrans-83.43.8178.5-58.50000114.4P34 R58 Q59 T70 H81 F82V32-P34 VanDerWaalsContact O-CD 3.24Å; V32-P34 WeakPolarHBondContact O-CD 3.41Å; V32-R58 HydrophobicContact CG2-CB 4.07Å; V32-Q59 HydrophobicContact CG2-CG 4.48Å; V32-T70 HydrophobicContact CG1-CG2 4.01Å; V32-H81 HydrophobicContact CB-CB 4.26Å; V32-H81 HydrophobicContact CG1-CB 3.67Å; V32-H81 HydrophobicContact CG2-CB 3.6Å; V32-F82 PolarHBondContact N-O 3.33Å
33T88Confident88.7Confident1 Ų158.4 Ų58.41%0.00630%0.304CS..  trans-108.494.1179.852.10000109.9S31 I38 Q59 H84S31-T33 VanDerWaalsContact C-N 3.25Å; S31-T33 PolarHBondContact O-N 2.74Å; S31-T33 PolarHBondContact OG-OG1 3.15Å; S31-T33 VanDerWaalsContact OG-OG1 3.13Å; T33-I38 HydrophobicContact CG2-CD1 3.86Å; T33-Q59 HydrophobicContact CG2-CG 4.32Å; T33-H84 PolarHBondContact O-CE1 2.98Å
34P78Confident88.2Confident69 Ų6960.4 Ų60.445%0.44831%0.312SS..THydrogen-bonded Turntrans-63.2174176.925.8-36.6000113.3V32V32-P34 VanDerWaalsContact O-CD 3.24Å; V32-P34 WeakPolarHBondContact O-CD 3.41Å
35D71.9Confident87.9Confident137 Ų13765 Ų6573%0.73333%0.331SS*.THydrogen-bonded Turntrans6144.4171.5-51.2-40.8000115.2K39D35-K39 WeakPolarHBondContact O-CE 3.36Å; D35-K39 PolarHBondContact O-NZ 2.72Å
36G72.8Confident87.3Confident21 Ų2164 Ų6422%0.21635%0.346CS..THydrogen-bonded Turntrans86.819175.700000114.8
37G88.3Confident86.7Confident4 Ų463.5 Ų63.54%0.04136%0.361CS..BIsolated β-bridgetrans74.8-144166.100000114.7K39 H84G37-K39 PolarHBondContact O-N 3.44Å; G37-H84 VanDerWaalsContact CA-CE1 3.48Å; G37-H84 WeakPolarHBondContact CA-CE1 3.34Å; G37-H84 WeakPolarHBondContact CA-O 3.48Å; G37-H84 PolarHBondContact N-CE1 3.27Å; G37-H84 PolarHBondContact N-NE2 2.66Å
38I92.5Very high86.2Confident4 Ų470.2 Ų70.22%0.02139%0.39CS..  trans-84.6111.5-179.2-58.9-53.9000110.4T33 G52 G53 L54 D56 H84 V85 V246 I275T33-I38 HydrophobicContact CG2-CD1 3.86Å; I38-G52 WeakPolarHBondContact CA-O 3.38Å; I38-G53 WeakPolarHBondContact CD1-O 3.36Å; I38-L54 HydrophobicContact CG2-CD2 4.14Å; I38-L54 HydrophobicContact CG2-CG 4.32Å; I38-D56 HydrophobicContact CD1-CB 4.44Å; I38-H84 PolarHBondContact N-O 3.23Å; I38-V85 HydrophobicContact CB-CG2 4.11Å; I38-V246 HydrophobicContact CG1-CG2 4.24Å; I38-I275 HydrophobicContact CG2-CD1 3.55Å
39K90.5Very high85.9Confident93 Ų9368 Ų6840%0.40438%0.384SS..  trans-102.2-26.3-179-62.9178.3-174.3168.60113.2D35 G37 G52 I275 N279D35-K39 WeakPolarHBondContact O-CE 3.36Å; D35-K39 PolarHBondContact O-NZ 2.72Å; G37-K39 PolarHBondContact O-N 3.44Å; K39-G52 PolarHBondContact N-O 3.33Å; K39-I275 VanDerWaalsContact O-CG2 3.27Å; K39-I275 WeakPolarHBondContact O-CG2 3.33Å; K39-N279 PolarHBondContact O-ND2 3.13Å
40Y92.3Very high85.8Confident106 Ų10661.5 Ų61.542%0.41635%0.354SS..BIsolated β-bridgetrans-106.1129.1-170.3-57-68.7000112.1E42 K50 G52Y40-E42 VanDerWaalsContact C-N 3.32Å; Y40-K50 HydrophobicContact CD2-CD 4.15Å; Y40-K50 HydrophobicContact CD2-CG 4.3Å; Y40-K50 HydrophobicContact CG-CD 3.96Å; Y40-G52 PolarHBondContact N-O 2.94Å; Y40-G52 VanDerWaalsContact N-O 3.14Å
41A91.1Very high85.6Confident14 Ų1461.7 Ų61.712%0.11636%0.355CS..SBendtrans-79.7-17.5174.600000112.2A272 I275 K276A41-A272 HydrophobicContact CB-CB 4.19Å; A41-I275 HydrophobicContact CB-CB 4.36Å; A41-I275 HydrophobicContact CB-CG2 4.15Å; A41-K276 HydrophobicContact CB-CG 3.97Å
42E87.6Confident85.4Confident95 Ų9561.2 Ų61.244%0.44435%0.353SS..  trans-71.1142.9171.7-49.677.8-125.500110.9Y40 K50Y40-E42 VanDerWaalsContact C-N 3.32Å; E42-K50 HydrophobicContact CB-CD 4.24Å; E42-K50 IonicContact OE2-NZ 3.47Å; E42-K50 PolarHBondContact OE2-NZ 3.04Å
43T85.3Confident85.3Confident37 Ų3759.5 Ų59.523%0.22734%0.342CS..SBendtrans-90.9-29.4178.848.80000113.1K50 L54 M55 T268T43-K50 PolarHBondContact O-N 3.01Å; T43-K50 VanDerWaalsContact O-N 3.13Å; T43-L54 HydrophobicContact CG2-CB 4.2Å; T43-M55 HydrophobicContact CG2-CG 3.73Å; T43-T268 HydrophobicContact CG2-CG2 4.45Å
44M83.9Confident85.4Confident58 Ų5859.5 Ų59.529%0.28634%0.342SS..EExtended strand (participates in β ladder)trans-135.5147.6-171.1-55.3-66.8-67.100110.9G47 K48 P49 R262M44-G47 WeakPolarHBondContact CE-O 3.37Å; M44-K48 CarbonylContact C-O 3.58Å; M44-K48 VanDerWaalsContact CA-O 3.24Å; M44-K48 WeakPolarHBondContact CA-O 3.38Å; M44-K48 VanDerWaalsContact CE-C 3.44Å; M44-P49 HydrophobicContact SD-CB 4.38Å; M44-R262 PolarHBondContact SD-NH1 2.86Å; M44-R262 VanDerWaalsContact SD-NH1 3.42Å
45E85.4Confident85.9Confident122 Ų12256.4 Ų56.457%0.5732%0.322SS*.EExtended strand (participates in β ladder)trans-139.2126.1173.8-176166.2-176.200108.5G47 K48 K50E45-G47 PolarHBondContact O-N 2.89Å; E45-G47 VanDerWaalsContact O-N 3.1Å; E45-K48 PolarHBondContact N-O 3.01Å; E45-K48 PolarHBondContact O-N 2.92Å; E45-K48 VanDerWaalsContact O-O 3.09Å; E45-K50 HydrophobicContact CB-CB 4.18Å; E45-K50 HydrophobicContact CB-CD 4.24Å; E45-K50 HydrophobicContact CB-CG 4.2Å; E45-K50 WeakPolarHBondContact OE2-CD 3.49Å; E45-K50 WeakPolarHBondContact OE2-CE 3.39Å; E45-K50 WeakPolarHBondContact OE2-CG 3.11Å; E45-K50 IonicContact OE2-NZ 3.42Å
46G81Confident86.8Confident85 Ų8549.9 Ų49.988%0.87629%0.287SS*.THydrogen-bonded Turntrans55.828.7-176.700000114.9K48G46-K48 PolarHBondContact O-N 3.06Å
47G78.8Confident87.6Confident66 Ų6649.7 Ų49.768%0.6828%0.282SS*.THydrogen-bonded Turntrans77.5-1.9-175.700000115.4M44 E45M44-G47 WeakPolarHBondContact CE-O 3.37Å; E45-G47 PolarHBondContact O-N 2.89Å; E45-G47 VanDerWaalsContact O-N 3.1Å
48K83.9Confident87.7Confident158 Ų15852.2 Ų52.269%0.68729%0.29SS*.EExtended strand (participates in β ladder)trans-100.7155.2171.8-68177.4-179.2176.10110.3M44 E45 G46M44-K48 CarbonylContact C-O 3.58Å; M44-K48 VanDerWaalsContact CA-O 3.24Å; M44-K48 WeakPolarHBondContact CA-O 3.38Å; M44-K48 VanDerWaalsContact CE-C 3.44Å; E45-K48 PolarHBondContact N-O 3.01Å; E45-K48 PolarHBondContact O-N 2.92Å; E45-K48 VanDerWaalsContact O-O 3.09Å; G46-K48 PolarHBondContact O-N 3.06Å
49P86.2Confident87.7Confident40 Ų4052 Ų5226%0.2629%0.289SS..EExtended strand (participates in β ladder)trans-62.3136.1171.825.8-33.4000110.6M44 M55 P57 V62M44-P49 HydrophobicContact SD-CB 4.38Å; P49-M55 HydrophobicContact CB-CB 4.21Å; P49-M55 WeakPolarHBondContact CB-O 3.39Å; P49-P57 HydrophobicContact CG-CG 4.33Å; P49-V62 HydrophobicContact CB-CG2 4.36Å; P49-V62 HydrophobicContact CG-CG2 4.41Å
50K88.1Confident87.7Confident28 Ų2847.7 Ų47.712%0.12227%0.271CS..PPolyproline II helixtrans-77.1124.9-177.6-171.8167.4-174.5174.30111Y40 E42 T43 E45 G53Y40-K50 HydrophobicContact CD2-CD 4.15Å; Y40-K50 HydrophobicContact CD2-CG 4.3Å; Y40-K50 HydrophobicContact CG-CD 3.96Å; E42-K50 HydrophobicContact CB-CD 4.24Å; E42-K50 IonicContact OE2-NZ 3.47Å; E42-K50 PolarHBondContact OE2-NZ 3.04Å; T43-K50 PolarHBondContact O-N 3.01Å; T43-K50 VanDerWaalsContact O-N 3.13Å; E45-K50 HydrophobicContact CB-CB 4.18Å; E45-K50 HydrophobicContact CB-CD 4.24Å; E45-K50 HydrophobicContact CB-CG 4.2Å; E45-K50 WeakPolarHBondContact OE2-CD 3.49Å; E45-K50 WeakPolarHBondContact OE2-CE 3.39Å; E45-K50 WeakPolarHBondContact OE2-CG 3.11Å; E45-K50 IonicContact OE2-NZ 3.42Å; K50-G53 WeakPolarHBondContact O-CA 3.42Å; K50-G53 PolarHBondContact O-N 2.84Å
51L87.6Confident87.4Confident102 Ų10243.6 Ų43.653%0.53426%0.258SS..THydrogen-bonded Turntrans-66.2135173-68171.1000109.8G53 P57L51-G53 PolarHBondContact O-N 3.4Å; L51-P57 HydrophobicContact CD2-CG 4.14Å
52G88.2Confident87Confident10 Ų1044 Ų4410%0.10326%0.259CS..THydrogen-bonded Turntrans67.211.4-170.200000114I38 K39 Y40 D56I38-G52 WeakPolarHBondContact CA-O 3.38Å; K39-G52 PolarHBondContact N-O 3.33Å; Y40-G52 PolarHBondContact N-O 2.94Å; Y40-G52 VanDerWaalsContact N-O 3.14Å; G52-D56 PolarHBondContact N-OD2 3.31Å
53G90.2Very high86.6Confident0 Ų042 Ų420%025%0.251CS..BIsolated β-bridgetrans-106.4174.9173.100000112.6I38 K50 L51 M55 D56I38-G53 WeakPolarHBondContact CD1-O 3.36Å; K50-G53 WeakPolarHBondContact O-CA 3.42Å; K50-G53 PolarHBondContact O-N 2.84Å; L51-G53 PolarHBondContact O-N 3.4Å; G53-M55 PolarHBondContact O-N 3.16Å; G53-D56 WeakPolarHBondContact O-CB 3.41Å; G53-D56 PolarHBondContact O-N 3.39Å; G53-D56 VanDerWaalsContact O-N 3.11Å
54L90.4Very high86.4Confident1 Ų149.5 Ų49.51%0.00528%0.275CS..THydrogen-bonded Turntrans-66.8-7-172.5-75.6169.8000115.9I38 T43 R252 T268 L271 A272 I275I38-L54 HydrophobicContact CG2-CD2 4.14Å; I38-L54 HydrophobicContact CG2-CG 4.32Å; T43-L54 HydrophobicContact CG2-CB 4.2Å; L54-R252 VanDerWaalsContact O-CZ 3.24Å; L54-R252 PolarHBondContact O-NH1 3.08Å; L54-R252 PolarHBondContact O-NH2 3.16Å; L54-T268 HydrophobicContact CB-CG2 4.29Å; L54-T268 HydrophobicContact CD1-CG2 4.27Å; L54-L271 HydrophobicContact CD1-CB 4.31Å; L54-L271 HydrophobicContact CD2-CB 3.76Å; L54-L271 HydrophobicContact CD2-CD1 4.25Å; L54-A272 HydrophobicContact CD1-CB 3.67Å; L54-I275 HydrophobicContact CD1-CD1 4.07Å; L54-I275 HydrophobicContact CD2-CD1 3.75Å; L54-I275 HydrophobicContact CG-CD1 3.86Å
55M88.7Confident86.3Confident4 Ų452.3 Ų52.32%0.0230%0.301CS..THydrogen-bonded Turntrans-118.126.6174.1-64-64.3-61.400112.6T43 P49 G53 V62 L249 A254T43-M55 HydrophobicContact CG2-CG 3.73Å; P49-M55 HydrophobicContact CB-CB 4.21Å; P49-M55 WeakPolarHBondContact CB-O 3.39Å; G53-M55 PolarHBondContact O-N 3.16Å; M55-V62 HydrophobicContact CE-CG1 3.84Å; M55-V62 HydrophobicContact CE-CG2 4.34Å; M55-L249 HydrophobicContact CE-CD1 4.09Å; M55-L249 HydrophobicContact CE-CD2 3.95Å; M55-L249 HydrophobicContact SD-CD2 3.66Å; M55-A254 HydrophobicContact CE-CB 4.21Å
56D90.1Very high86.1Confident0 Ų048 Ų480%028%0.284CS..  trans-51122-179.3-167.6-49.4000111.8I38 G52 G53 R58 Q59I38-D56 HydrophobicContact CD1-CB 4.44Å; G52-D56 PolarHBondContact N-OD2 3.31Å; G53-D56 WeakPolarHBondContact O-CB 3.41Å; G53-D56 PolarHBondContact O-N 3.39Å; G53-D56 VanDerWaalsContact O-N 3.11Å; D56-R58 PolarHBondContact O-N 2.92Å; D56-R58 VanDerWaalsContact OD1-CB 3.24Å; D56-R58 WeakPolarHBondContact OD1-CB 3.36Å; D56-R58 WeakPolarHBondContact OD1-CG 3.38Å; D56-R58 IonicContact OD1-CZ 2.65Å; D56-R58 PolarHBondContact OD1-N 2.81Å; D56-R58 IonicContact OD1-NE 3.51Å; D56-R58 PolarHBondContact OD1-NE 3.42Å; D56-R58 IonicContact OD1-NH2 2.78Å; D56-R58 IonicContact OD2-CZ 3.11Å; D56-R58 IonicContact OD2-NE 3.96Å; D56-R58 PolarHBondContact OD2-NE 3.23Å; D56-R58 IonicContact OD2-NH2 3.67Å; D56-R58 PolarHBondContact OD2-NH2 3.06Å; D56-Q59 HydrophobicContact CB-CG 4.43Å; D56-Q59 WeakPolarHBondContact O-CB 3.11Å; D56-Q59 PolarHBondContact O-N 3.28Å
57P89.5Confident86.5Confident16 Ų1649.3 Ų49.310%0.10427%0.27CS..THydrogen-bonded Turntrans-65.8-8.3-176.227.7-36.7000114.6P49 L51 Q69P49-P57 HydrophobicContact CG-CG 4.33Å; L51-P57 HydrophobicContact CD2-CG 4.14Å; P57-Q69 HydrophobicContact CB-CG 4.13Å; P57-Q69 HydrophobicContact CG-CG 4.39Å; P57-Q69 PolarHBondContact O-N 2.98Å
58R91.3Very high87Confident57 Ų5746.2 Ų46.222%0.21524%0.238CC..THydrogen-bonded Turntrans-75.1-29.2168.8-60.8173.8-71.2-174.46.5111.9V32 D56 G60 Q69 T70 H81V32-R58 HydrophobicContact CG2-CB 4.07Å; D56-R58 PolarHBondContact O-N 2.92Å; D56-R58 VanDerWaalsContact OD1-CB 3.24Å; D56-R58 WeakPolarHBondContact OD1-CB 3.36Å; D56-R58 WeakPolarHBondContact OD1-CG 3.38Å; D56-R58 IonicContact OD1-CZ 2.65Å; D56-R58 PolarHBondContact OD1-N 2.81Å; D56-R58 IonicContact OD1-NE 3.51Å; D56-R58 PolarHBondContact OD1-NE 3.42Å; D56-R58 IonicContact OD1-NH2 2.78Å; D56-R58 IonicContact OD2-CZ 3.11Å; D56-R58 IonicContact OD2-NE 3.96Å; D56-R58 PolarHBondContact OD2-NE 3.23Å; D56-R58 IonicContact OD2-NH2 3.67Å; D56-R58 PolarHBondContact OD2-NH2 3.06Å; R58-G60 PolarHBondContact O-N 3.47Å; R58-Q69 HydrophobicContact CG-CB 4.09Å; R58-T70 PolarHBondContact O-OG1 3.46Å; R58-H81 PolarHBondContact O-CD2 2.69Å
59Q91.6Very high87.3Confident0 Ų044.6 Ų44.60%023%0.233CC..SBendtrans-74.3-10.7177.3-66.5-169.62.400114.1V32 T33 D56 G80 H81 L249V32-Q59 HydrophobicContact CG2-CG 4.48Å; T33-Q59 HydrophobicContact CG2-CG 4.32Å; D56-Q59 HydrophobicContact CB-CG 4.43Å; D56-Q59 WeakPolarHBondContact O-CB 3.11Å; D56-Q59 PolarHBondContact O-N 3.28Å; Q59-G80 WeakPolarHBondContact O-CA 3.35Å; Q59-H81 WeakPolarHBondContact CA-O 3.36Å; Q59-H81 WeakPolarHBondContact CB-O 3.2Å; Q59-H81 PolarHBondContact O-N 3.03Å; Q59-L249 HydrophobicContact CB-CG 4.44Å
60G90.3Very high87.5Confident3 Ų345.8 Ų45.83%0.03124%0.239CC..SBendtrans149.6179.6177.800000112.7R58R58-G60 PolarHBondContact O-N 3.47Å
61C87Confident87.6Confident19 Ų1947.1 Ų47.113%0.12825%0.251CS..  trans-65.8136.6174-580000111.4S66 C68 G73 V75C61-S66 PolarHBondContact SG-O 2.96Å; C61-S66 VanDerWaalsContact SG-O 3.39Å; C61-C68 PolarHBondContact SG-N 3.28Å; C61-C68 VanDerWaalsContact SG-N 3.38Å; C61-G73 PolarHBondContact SG-O 3.19Å; C61-V75 HydrophobicContact CB-CG2 3.59Å
62V81.8Confident87.7Confident24 Ų2446.8 Ų46.815%0.14526%0.258CS..SBendtrans-92.2-37.7178176.70000111.4P49 M55 S66 L249P49-V62 HydrophobicContact CB-CG2 4.36Å; P49-V62 HydrophobicContact CG-CG2 4.41Å; M55-V62 HydrophobicContact CE-CG1 3.84Å; M55-V62 HydrophobicContact CE-CG2 4.34Å; V62-S66 PolarHBondContact N-OG 2.82Å; V62-L249 HydrophobicContact CG2-CD1 3.93Å
63D79.9Confident87.6Confident53 Ų5346.9 Ų46.928%0.28326%0.258SS..SBendtrans-132.9163.7-179.2-63.1-72.8000110.9S65 S66 V75 R262D63-S65 VanDerWaalsContact C-N 3.27Å; D63-S65 PolarHBondContact O-N 2.93Å; D63-S66 PolarHBondContact N-OG 2.83Å; D63-S66 WeakPolarHBondContact O-CB 3.26Å; D63-S66 PolarHBondContact O-N 3.32Å; D63-S66 PolarHBondContact O-OG 3.22Å; D63-V75 WeakPolarHBondContact O-CG2 3.42Å; D63-R262 IonicContact OD1-CZ 2.71Å; D63-R262 IonicContact OD1-NH2 3.86Å; D63-R262 PolarHBondContact OD1-NH2 2.86Å; D63-R262 IonicContact OD2-CZ 2.73Å; D63-R262 IonicContact OD2-NH2 2.77Å; D63-R262 PolarHBondContact OD2-NH2 2.89Å
64R80.4Confident87.4Confident193 Ų19349.2 Ų49.273%0.72828%0.275SS*.THydrogen-bonded Turntrans-58.9-31.8179.9-78.2177.1157.6-160.6-15.3115
65S81.3Confident87.2Confident117 Ų11752.7 Ų52.782%0.81830%0.296SS*.THydrogen-bonded Turntrans-89.4-8.6176.250.50000113.4D63D63-S65 VanDerWaalsContact C-N 3.27Å; D63-S65 PolarHBondContact O-N 2.93Å
66S82.3Confident87Confident32 Ų3255 Ų5522%0.22431%0.313CS..PPolyproline II helixtrans-83.1140.9177.673.30000110.7C61 V62 D63C61-S66 PolarHBondContact SG-O 2.96Å; C61-S66 VanDerWaalsContact SG-O 3.39Å; V62-S66 PolarHBondContact N-OG 2.82Å; D63-S66 PolarHBondContact N-OG 2.83Å; D63-S66 WeakPolarHBondContact O-CB 3.26Å; D63-S66 PolarHBondContact O-N 3.32Å; D63-S66 PolarHBondContact O-OG 3.22Å
67I88.4Confident86.8Confident112 Ų11258.6 Ų58.657%0.57434%0.338SS*.PPolyproline II helixtrans-101.8140.5174-63.1172.6000107.6Q69 S72I67-Q69 PolarHBondContact O-N 3.09Å; I67-S72 WeakPolarHBondContact CG2-O 3.49Å
68C90.4Very high86.8Confident2 Ų258.5 Ų58.51%0.01434%0.337CS..PPolyproline II helixtrans-68.1131.5177.8178.20000111.2C61 T70 S72 G73 C78 H81C61-C68 PolarHBondContact SG-N 3.28Å; C61-C68 VanDerWaalsContact SG-N 3.38Å; C68-T70 PolarHBondContact O-N 3.39Å; C68-T70 PolarHBondContact SG-N 3.41Å; C68-T70 VanDerWaalsContact SG-N 3.44Å; C68-S72 VanDerWaalsContact O-CA 3.3Å; C68-S72 WeakPolarHBondContact O-CA 3.33Å; C68-S72 PolarHBondContact O-N 2.61Å; C68-G73 PolarHBondContact N-O 3.45Å; C68-G73 VanDerWaalsContact N-O 3.12Å; C68-C78 HydrophobicContact CB-CB 4.33Å; C68-H81 VanDerWaalsContact SG-CD2 3.53Å
69Q90.1Very high86.7Confident124 Ų12460.2 Ų60.258%0.57936%0.356SS*.THydrogen-bonded Turntrans-69.7-11.6-179.5-70.8-175.7-700114.4P57 R58 I67P57-Q69 HydrophobicContact CB-CG 4.13Å; P57-Q69 HydrophobicContact CG-CG 4.39Å; P57-Q69 PolarHBondContact O-N 2.98Å; R58-Q69 HydrophobicContact CG-CB 4.09Å; I67-Q69 PolarHBondContact O-N 3.09Å
70T91Very high86.6Confident64 Ų6460.9 Ų60.939%0.39336%0.363SS..THydrogen-bonded Turntrans-98.5-52-178.3-59.90000112.8V32 R58 C68V32-T70 HydrophobicContact CG1-CG2 4.01Å; R58-T70 PolarHBondContact O-OG1 3.46Å; C68-T70 PolarHBondContact O-N 3.39Å; C68-T70 PolarHBondContact SG-N 3.41Å; C68-T70 VanDerWaalsContact SG-N 3.44Å
71C90.1Very high86.8Confident56 Ų5662.3 Ų62.338%0.37837%0.369SS..THydrogen-bonded Turntrans-106.4-2.8-176.261.10000114.8G73 H81C71-G73 PolarHBondContact O-N 2.76Å; C71-H81 PolarHBondContact SG-NE2 3.48Å
72S89Confident87.2Confident96 Ų9666.2 Ų66.267%0.67138%0.383SS*.  trans56.414.3-172-580000115.3I67 C68I67-S72 WeakPolarHBondContact CG2-O 3.49Å; C68-S72 VanDerWaalsContact O-CA 3.3Å; C68-S72 WeakPolarHBondContact O-CA 3.33Å; C68-S72 PolarHBondContact O-N 2.61Å
73G86.1Confident87.8Confident11 Ų1165 Ų6511%0.11338%0.376CS..  trans-73.9154.8175.500000113.2C61 C68 C71C61-G73 PolarHBondContact SG-O 3.19Å; C68-G73 PolarHBondContact N-O 3.45Å; C68-G73 VanDerWaalsContact N-O 3.12Å; C71-G73 PolarHBondContact O-N 2.76Å
74S86.9Confident88.5Confident50 Ų5063 Ų6335%0.3537%0.365SS..  trans-76.4176.6166.569.20000111.5S76 S77 C78S74-S76 PolarHBondContact O-N 2.76Å; S74-S76 PolarHBondContact OG-N 2.76Å; S74-S76 PolarHBondContact OG-OG 3.02Å; S74-S77 PolarHBondContact N-OG 3.43Å; S74-S77 PolarHBondContact O-N 3.02Å; S74-S77 PolarHBondContact OG-N 3.39Å; S74-S77 PolarHBondContact OG-OG 3.19Å; S74-C78 WeakPolarHBondContact O-CB 3.46Å; S74-C78 PolarHBondContact O-N 3.41Å
75V85.4Confident89.1Confident73 Ų7354 Ų5444%0.44233%0.332SS..THydrogen-bonded Turntrans-59-28.5175.2175.90000113.7C61 D63C61-V75 HydrophobicContact CB-CG2 3.59Å; D63-V75 WeakPolarHBondContact O-CG2 3.42Å
76S83.3Confident89.7Confident53 Ų5351.2 Ų51.237%0.37131%0.306SS..THydrogen-bonded Turntrans-86-23.6178.157.10000114S74S74-S76 PolarHBondContact O-N 2.76Å; S74-S76 PolarHBondContact OG-N 2.76Å; S74-S76 PolarHBondContact OG-OG 3.02Å
77S85.8Confident90.3Very high75 Ų7550.5 Ų50.552%0.52430%0.299SS..THydrogen-bonded Turntrans-107.4-24.5-173.752.80000114.2S74 P79S74-S77 PolarHBondContact N-OG 3.43Å; S74-S77 PolarHBondContact O-N 3.02Å; S74-S77 PolarHBondContact OG-N 3.39Å; S74-S77 PolarHBondContact OG-OG 3.19Å; S77-P79 WeakPolarHBondContact O-CD 3.44Å
78C89.4Confident90.5Very high15 Ų1546.4 Ų46.410%0.10128%0.282CS..  trans-71.8119.2174.9179.30000110.3C68 S74 G80C68-C78 HydrophobicContact CB-CB 4.33Å; S74-C78 WeakPolarHBondContact O-CB 3.46Å; S74-C78 PolarHBondContact O-N 3.41Å; C78-G80 PolarHBondContact O-N 3.4Å; C78-G80 PolarHBondContact SG-N 3.33Å; C78-G80 VanDerWaalsContact SG-N 3.4Å
79P89.1Confident90.6Very high93 Ų9348 Ų4860%0.60429%0.289SS*.  trans-72-15.5175.730.8-35.7000112.7S77 C250S77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-C250 PolarHBondContact O-SG 2.91Å
80G91.5Very high90.8Very high14 Ų1443 Ų4314%0.14427%0.267CS..  trans83.5155.2-167.300000112.4Q59 C78Q59-G80 WeakPolarHBondContact O-CA 3.35Å; C78-G80 PolarHBondContact O-N 3.4Å; C78-G80 PolarHBondContact SG-N 3.33Å; C78-G80 VanDerWaalsContact SG-N 3.4Å
81H94.1Very high90.9Very high33 Ų3340 Ų4015%0.15325%0.249CC..  trans-131.1138.3-175.5-51.8-75.9000112V32 R58 Q59 C68 C71 P248V32-H81 HydrophobicContact CB-CB 4.26Å; V32-H81 HydrophobicContact CG1-CB 3.67Å; V32-H81 HydrophobicContact CG2-CB 3.6Å; R58-H81 PolarHBondContact O-CD2 2.69Å; Q59-H81 WeakPolarHBondContact CA-O 3.36Å; Q59-H81 WeakPolarHBondContact CB-O 3.2Å; Q59-H81 PolarHBondContact O-N 3.03Å; C68-H81 VanDerWaalsContact SG-CD2 3.53Å; C71-H81 PolarHBondContact SG-NE2 3.48Å; H81-P248 WeakPolarHBondContact O-CB 3.39Å
82F94.5Very high91.1Very high100 Ų10037.9 Ų37.944%0.43923%0.233SC..  trans-72.8141.8-174.3-79.8-90.3000113S31 V32 P245 V246 P247S31-F82 WeakPolarHBondContact CA-O 3.5Å; S31-F82 PolarHBondContact OG-O 3.28Å; V32-F82 PolarHBondContact N-O 3.33Å; F82-P245 HydrophobicContact CD1-CB 4.39Å; F82-V246 WeakPolarHBondContact CD1-O 3.48Å; F82-P247 HydrophobicContact CE1-CB 4.41Å
83G93.6Very high91.3Very high0 Ų034.8 Ų34.80%021%0.208CC..EExtended strand (participates in β ladder)trans-98.2-178.9161.100000111.4S31 V246S31-G83 VanDerWaalsContact OG-C 3.23Å; S31-G83 VanDerWaalsContact OG-CA 3.31Å; S31-G83 WeakPolarHBondContact OG-CA 3.4Å; G83-V246 PolarHBondContact N-O 3.03Å; G83-V246 PolarHBondContact O-N 2.71Å
84H95.2Very high91.6Very high11 Ų1135.3 Ų35.35%0.05121%0.208CC..EExtended strand (participates in β ladder)trans-138.2162.316771.4-82.2000111.3I27 S31 T33 G37 I38 V243 L244I27-H84 HydrophobicContact CG2-CB 4.08Å; S31-H84 WeakPolarHBondContact CB-ND1 3.47Å; S31-H84 PolarHBondContact OG-N 3.07Å; S31-H84 PolarHBondContact OG-ND1 3.5Å; T33-H84 PolarHBondContact O-CE1 2.98Å; G37-H84 VanDerWaalsContact CA-CE1 3.48Å; G37-H84 WeakPolarHBondContact CA-CE1 3.34Å; G37-H84 WeakPolarHBondContact CA-O 3.48Å; G37-H84 PolarHBondContact N-CE1 3.27Å; G37-H84 PolarHBondContact N-NE2 2.66Å; I38-H84 PolarHBondContact N-O 3.23Å; H84-V243 HydrophobicContact CB-CG1 3.83Å; H84-L244 CarbonylContact C-O 3.55Å; H84-L244 WeakPolarHBondContact CA-O 3.05Å
85V94.3Very high91.7Very high4 Ų434.6 Ų34.62%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-127.5123.6166.4173.50000107.5I38 L87 L244 V246 I275I38-V85 HydrophobicContact CB-CG2 4.11Å; V85-L87 HydrophobicContact CG1-CD2 4.32Å; V85-L244 HydrophobicContact CB-CB 4.49Å; V85-L244 PolarHBondContact N-O 2.85Å; V85-L244 PolarHBondContact O-N 3Å; V85-V246 HydrophobicContact CG2-CG2 3.65Å; V85-I275 HydrophobicContact CG2-CG1 4.12Å
86E93.6Very high92Very high57 Ų5732 Ų3227%0.26619%0.191SC..EExtended strand (participates in β ladder)trans-76.8120.3169.5-58.7-170.713400109.4K28 N278K28-E86 WeakPolarHBondContact CE-OE1 3.31Å; K28-E86 IonicContact NZ-OE1 3.1Å; K28-E86 PolarHBondContact NZ-OE1 2.89Å; E86-N278 PolarHBondContact O-ND2 3.42Å
87L94Very high92.4Very high18 Ų1829.6 Ų29.69%0.09417%0.174CC..EExtended strand (participates in β ladder)trans-80.6135178-56.8176.1000109.6V85 K89 V91 A241 T242 L244 N278 L301V85-L87 HydrophobicContact CG1-CD2 4.32Å; L87-K89 VanDerWaalsContact C-N 3.26Å; L87-K89 WeakPolarHBondContact CB-O 3.39Å; L87-K89 PolarHBondContact O-N 3.35Å; L87-V91 HydrophobicContact CD1-CB 4.15Å; L87-V91 HydrophobicContact CD1-CG2 3.97Å; L87-A241 HydrophobicContact CD1-CB 4.13Å; L87-T242 WeakPolarHBondContact CB-O 3.32Å; L87-T242 PolarHBondContact N-O 2.88Å; L87-L244 HydrophobicContact CD2-CB 4.34Å; L87-L244 HydrophobicContact CG-CB 4.46Å; L87-N278 VanDerWaalsContact CA-OD1 3.31Å; L87-N278 WeakPolarHBondContact CA-OD1 3.2Å; L87-L301 HydrophobicContact CD2-CD1 4.37Å; L87-L301 HydrophobicContact CD2-CD2 4.46Å
88A92.6Very high92.6Very high25 Ų2533.6 Ų33.621%0.20718%0.182CC..EExtended strand (participates in β ladder)trans-63.1-34.3-179.300000112.2N278 L281 R282A88-N278 PolarHBondContact N-OD1 3.05Å; A88-L281 HydrophobicContact CB-CB 4.46Å; A88-L281 HydrophobicContact CB-CD2 4.05Å; A88-L281 HydrophobicContact CB-CG 4Å; A88-R282 HydrophobicContact CB-CB 4.01Å
89K92.8Very high92.8Very high36 Ų3634 Ų3416%0.15718%0.182CC..EExtended strand (participates in β ladder)trans-129.8151.6170-69-67.6178.7-170.20111L87 E210 L281 E285 I298L87-K89 VanDerWaalsContact C-N 3.26Å; L87-K89 WeakPolarHBondContact CB-O 3.39Å; L87-K89 PolarHBondContact O-N 3.35Å; K89-E210 IonicContact NZ-OE2 3.77Å; K89-L281 HydrophobicContact CB-CD2 4.22Å; K89-L281 HydrophobicContact CG-CD2 4.12Å; K89-E285 VanDerWaalsContact CE-CD 3.46Å; K89-E285 WeakPolarHBondContact CE-OE1 3.49Å; K89-E285 WeakPolarHBondContact CE-OE2 3.48Å; K89-E285 IonicContact NZ-OE1 3.75Å; K89-E285 PolarHBondContact NZ-OE1 3.23Å; K89-E285 IonicContact NZ-OE2 2.76Å; K89-I298 HydrophobicContact CB-CD1 4.43Å; K89-I298 HydrophobicContact CB-CG1 4.17Å; K89-I298 HydrophobicContact CG-CD1 3.96Å; K89-I298 HydrophobicContact CG-CG1 4.01Å
90P94.4Very high93Very high20 Ų2029.6 Ų29.613%0.1315%0.154CC..EExtended strand (participates in β ladder)trans-59.5144.2172.4-21.533.2000112A209 E210 L213 I240 A241 T242P90-A209 HydrophobicContact CB-CB 4.22Å; P90-A209 WeakPolarHBondContact O-CB 3.45Å; P90-E210 HydrophobicContact CG-CB 4.17Å; P90-L213 HydrophobicContact CB-CD2 4.33Å; P90-L213 HydrophobicContact CG-CD2 4.02Å; P90-I240 HydrophobicContact CB-CG2 3.75Å; P90-A241 WeakPolarHBondContact CA-O 3.32Å; P90-T242 HydrophobicContact CB-CG2 4.12Å; P90-T242 HydrophobicContact CG-CG2 4.19Å
91V94Very high93Very high1 Ų130.1 Ų30.11%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-128.5138.6-175.8176.50000110L87 H93 A241 L301 Q302 V305L87-V91 HydrophobicContact CD1-CB 4.15Å; L87-V91 HydrophobicContact CD1-CG2 3.97Å; V91-H93 PolarHBondContact O-N 3.19Å; V91-A241 PolarHBondContact N-O 2.99Å; V91-A241 PolarHBondContact O-N 3.45Å; V91-L301 HydrophobicContact CG2-CD2 4.1Å; V91-L301 HydrophobicContact CG2-CG 4.15Å; V91-Q302 HydrophobicContact CG1-CB 4.22Å; V91-Q302 HydrophobicContact CG1-CG 4.45Å; V91-V305 HydrophobicContact CG1-CB 4.01Å; V91-V305 HydrophobicContact CG1-CG1 4.01Å; V91-V305 HydrophobicContact CG1-CG2 4.34Å
92F94Very high92.9Very high10 Ų1031.8 Ų31.84%0.04416%0.16CC..EExtended strand (participates in β ladder)trans-70.2126.4175.6-67.1-63.5000111.1I94 L97 T100 L189 A209 V212 Q302F92-I94 PolarHBondContact O-N 3.39Å; F92-L97 HydrophobicContact CB-CD1 4.14Å; F92-L97 HydrophobicContact CD1-CD1 4.13Å; F92-L97 HydrophobicContact CD2-CD1 4.46Å; F92-L97 HydrophobicContact CG-CD1 4.01Å; F92-T100 HydrophobicContact CE1-CG2 4.46Å; F92-L189 HydrophobicContact CE1-CD1 4.02Å; F92-L189 HydrophobicContact CE2-CD1 4.34Å; F92-L189 HydrophobicContact CE2-CG 4.49Å; F92-L189 HydrophobicContact CZ-CD1 3.81Å; F92-L189 HydrophobicContact CZ-CG 4.4Å; F92-A209 HydrophobicContact CD1-CB 4Å; F92-A209 HydrophobicContact CD2-CB 4.03Å; F92-A209 HydrophobicContact CE1-CB 3.85Å; F92-A209 HydrophobicContact CE2-CB 3.88Å; F92-A209 HydrophobicContact CG-CB 4.09Å; F92-A209 VanDerWaalsContact CZ-CA 3.41Å; F92-A209 HydrophobicContact CZ-CB 3.79Å; F92-V212 HydrophobicContact CE1-CB 4.14Å; F92-V212 HydrophobicContact CE1-CG2 3.95Å; F92-V212 HydrophobicContact CZ-CG2 3.98Å; F92-Q302 PolarHBondContact O-NE2 3.03Å
93H93.5Very high92.9Very high31 Ų3127 Ų2714%0.14414%0.139CC..  trans-74.6119169.9-173.8-112.6000110.6V91 G95 F96 L97 M239V91-H93 PolarHBondContact O-N 3.19Å; H93-G95 VanDerWaalsContact C-N 3.26Å; H93-G95 PolarHBondContact O-N 2.95Å; H93-G95 VanDerWaalsContact O-N 3.17Å; H93-F96 HydrophobicContact CB-CB 4.4Å; H93-F96 HydrophobicContact CB-CD2 3.72Å; H93-F96 HydrophobicContact CB-CE2 4.4Å; H93-F96 HydrophobicContact CB-CG 4.31Å; H93-F96 AromaticContact CE1-CE2 3.96Å; H93-F96 AromaticContact CG-CD2 3.7Å; H93-F96 AromaticContact ND1-CD1 3.81Å; H93-F96 AromaticContact ND1-CD2 3.12Å; H93-F96 WeakPolarHBondContact ND1-CD2 3.17Å; H93-F96 AromaticContact ND1-CE1 3.99Å; H93-F96 AromaticContact ND1-CE2 3.32Å; H93-F96 VanDerWaalsContact ND1-CE2 3.32Å; H93-F96 WeakPolarHBondContact ND1-CE2 3.28Å; H93-F96 AromaticContact ND1-CG 3.4Å; H93-F96 WeakPolarHBondContact ND1-CG 3.46Å; H93-F96 AromaticContact ND1-CZ 3.76Å; H93-F96 PolarHBondContact O-N 3.38Å; H93-L97 PolarHBondContact O-N 2.68Å; H93-M239 WeakPolarHBondContact CB-O 3.34Å
94I91.4Very high92.9Very high22 Ų2227.1 Ų27.111%0.11314%0.139CC..THydrogen-bonded Turntrans-57.5-34.9-172.6-174.159.7000113.8F92 F96 L97 L187 T306 V309 D310 V313F92-I94 PolarHBondContact O-N 3.39Å; I94-F96 VanDerWaalsContact C-N 3.33Å; I94-F96 PolarHBondContact O-N 3.36Å; I94-L97 HydrophobicContact CD1-CD2 4.32Å; I94-L187 HydrophobicContact CD1-CD2 4.11Å; I94-T306 HydrophobicContact CB-CG2 3.74Å; I94-T306 HydrophobicContact CD1-CG2 4.11Å; I94-T306 HydrophobicContact CG1-CG2 3.72Å; I94-T306 HydrophobicContact CG2-CG2 4.05Å; I94-V309 HydrophobicContact CG2-CB 4Å; I94-V309 HydrophobicContact CG2-CG1 4Å; I94-D310 HydrophobicContact CG2-CB 4.36Å; I94-V313 HydrophobicContact CD1-CG1 4.4Å; I94-V313 HydrophobicContact CD1-CG2 4.39Å; I94-V313 HydrophobicContact CG1-CG2 3.97Å
95G88.4Confident92.7Very high35 Ų3530.4 Ų30.436%0.36115%0.151SC..THydrogen-bonded Turntrans-67.4-32.5177.200000113.1H93H93-G95 VanDerWaalsContact C-N 3.26Å; H93-G95 PolarHBondContact O-N 2.95Å; H93-G95 VanDerWaalsContact O-N 3.17Å
96F93Very high92.6Very high18 Ų1830.2 Ų30.28%0.07915%0.15CC..THydrogen-bonded Turntrans-95.1-20-174.1-55.7-30.1000113.4I21 H93 I94 K98 K99 T100 M239 M1430 I1434I21-F96 HydrophobicContact CD1-CD2 4.43Å; I21-F96 HydrophobicContact CD1-CE2 4.05Å; I21-F96 HydrophobicContact CD1-CZ 4.09Å; I21-F96 HydrophobicContact CG1-CE2 4.33Å; I21-F96 HydrophobicContact CG1-CZ 4.11Å; I21-F96 HydrophobicContact CG2-CE2 4.07Å; I21-F96 HydrophobicContact CG2-CZ 4.49Å; H93-F96 HydrophobicContact CB-CB 4.4Å; H93-F96 HydrophobicContact CB-CD2 3.72Å; H93-F96 HydrophobicContact CB-CE2 4.4Å; H93-F96 HydrophobicContact CB-CG 4.31Å; H93-F96 AromaticContact CE1-CE2 3.96Å; H93-F96 AromaticContact CG-CD2 3.7Å; H93-F96 AromaticContact ND1-CD1 3.81Å; H93-F96 AromaticContact ND1-CD2 3.12Å; H93-F96 WeakPolarHBondContact ND1-CD2 3.17Å; H93-F96 AromaticContact ND1-CE1 3.99Å; H93-F96 AromaticContact ND1-CE2 3.32Å; H93-F96 VanDerWaalsContact ND1-CE2 3.32Å; H93-F96 WeakPolarHBondContact ND1-CE2 3.28Å; H93-F96 AromaticContact ND1-CG 3.4Å; H93-F96 WeakPolarHBondContact ND1-CG 3.46Å; H93-F96 AromaticContact ND1-CZ 3.76Å; H93-F96 PolarHBondContact O-N 3.38Å; I94-F96 VanDerWaalsContact C-N 3.33Å; I94-F96 PolarHBondContact O-N 3.36Å; F96-K98 PolarHBondContact O-N 2.89Å; F96-K99 WeakPolarHBondContact O-CA 3.23Å; F96-K99 WeakPolarHBondContact O-CB 3.49Å; F96-K99 PolarHBondContact O-N 3.48Å; F96-T100 PolarHBondContact O-N 2.87Å; F96-T100 PolarHBondContact O-OG1 3.1Å; F96-T100 VanDerWaalsContact O-OG1 3.13Å; F96-M239 HydrophobicContact CB-CB 3.92Å; F96-M239 HydrophobicContact CB-CG 4.04Å; F96-M239 HydrophobicContact CB-SD 4.12Å; F96-M239 HydrophobicContact CD2-CB 4.06Å; F96-M239 HydrophobicContact CD2-CG 4.19Å; F96-M239 HydrophobicContact CG-CB 4.32Å; F96-M239 HydrophobicContact CG-CG 4.22Å; F96-M1430 HydrophobicContact CD1-SD 4.28Å; F96-M1430 HydrophobicContact CE1-CB 4.33Å; F96-M1430 HydrophobicContact CE1-SD 3.53Å; F96-M1430 VanDerWaalsContact CE1-SD 3.53Å; F96-M1430 HydrophobicContact CZ-SD 4Å; F96-I1434 HydrophobicContact CD1-CD1 3.77Å; F96-I1434 HydrophobicContact CD1-CG1 3.85Å; F96-I1434 HydrophobicContact CE1-CD1 4.24Å; F96-I1434 HydrophobicContact CE1-CG1 3.97Å
97L91Very high92.5Very high3 Ų327.5 Ų27.52%0.01614%0.137CC..Hα-helixtrans-46.9-38.6-176.5-174.961.4000114.7F92 H93 I94 K99 T100 M101 R184 L189F92-L97 HydrophobicContact CB-CD1 4.14Å; F92-L97 HydrophobicContact CD1-CD1 4.13Å; F92-L97 HydrophobicContact CD2-CD1 4.46Å; F92-L97 HydrophobicContact CG-CD1 4.01Å; H93-L97 PolarHBondContact O-N 2.68Å; I94-L97 HydrophobicContact CD1-CD2 4.32Å; L97-K99 PolarHBondContact O-N 3.27Å; L97-T100 WeakPolarHBondContact O-CB 3.49Å; L97-M101 WeakPolarHBondContact O-CG 3.33Å; L97-M101 PolarHBondContact O-N 3.12Å; L97-M101 VanDerWaalsContact O-N 3.13Å; L97-R184 HydrophobicContact CD2-CG 4.5Å; L97-L189 HydrophobicContact CD1-CD1 3.85Å; L97-L189 HydrophobicContact CD1-CD2 4.15Å; L97-L189 HydrophobicContact CD1-CG 4.05Å
98K91Very high92.4Very high159 Ų15926.7 Ų26.769%0.69113%0.133SC*.Hα-helixtrans-64.8-36175.4-70.4-177.5-177.7172.70113F96 K102F96-K98 PolarHBondContact O-N 2.89Å; K98-K102 PolarHBondContact O-N 2.92Å
99K92.1Very high92.3Very high23 Ų2325.9 Ų25.910%0.113%0.125CC..Hα-helixtrans-78.8-41.4177.5-169.977.253.1156.10110.8F96 L97 M101 K102 V103 M138 F229 M239 E1431 I1434 H1435F96-K99 WeakPolarHBondContact O-CA 3.23Å; F96-K99 WeakPolarHBondContact O-CB 3.49Å; F96-K99 PolarHBondContact O-N 3.48Å; L97-K99 PolarHBondContact O-N 3.27Å; K99-M101 VanDerWaalsContact C-N 3.25Å; K99-M101 PolarHBondContact O-N 2.92Å; K99-K102 WeakPolarHBondContact O-CA 3.49Å; K99-K102 WeakPolarHBondContact O-CB 3.46Å; K99-K102 PolarHBondContact O-N 3.26Å; K99-V103 PolarHBondContact O-N 3.14Å; K99-M138 HydrophobicContact CD-CG 4.43Å; K99-F229 HydrophobicContact CD-CZ 4.29Å; K99-F229 HydrophobicContact CG-CE1 4.41Å; K99-F229 HydrophobicContact CG-CZ 4.15Å; K99-M239 HydrophobicContact CB-SD 4.06Å; K99-M239 HydrophobicContact CG-SD 4.01Å; K99-E1431 IonicContact NZ-OE1 3.02Å; K99-I1434 HydrophobicContact CB-CD1 4.02Å; K99-I1434 HydrophobicContact CD-CG2 3.94Å; K99-I1434 HydrophobicContact CG-CD1 4.22Å; K99-I1434 HydrophobicContact CG-CG2 3.76Å; K99-H1435 PolarHBondContact NZ-CE1 2.91Å; K99-H1435 PolarHBondContact NZ-NE2 2.93Å
100T93.3Very high92.1Very high2 Ų226.3 Ų26.31%0.01213%0.126CC..Hα-helixtrans-47.3-48.7169.7-48.20000111.1F92 F96 L97 K102 V103 L104 V212 F216F92-T100 HydrophobicContact CE1-CG2 4.46Å; F96-T100 PolarHBondContact O-N 2.87Å; F96-T100 PolarHBondContact O-OG1 3.1Å; F96-T100 VanDerWaalsContact O-OG1 3.13Å; L97-T100 WeakPolarHBondContact O-CB 3.49Å; T100-K102 VanDerWaalsContact C-N 3.33Å; T100-K102 PolarHBondContact O-N 3.14Å; T100-V103 PolarHBondContact O-N 3.31Å; T100-L104 HydrophobicContact CG2-CD1 4.49Å; T100-L104 WeakPolarHBondContact O-CB 3.48Å; T100-L104 PolarHBondContact O-N 3.41Å; T100-V212 HydrophobicContact CG2-CG1 3.74Å; T100-F216 HydrophobicContact CG2-CE2 3.72Å; T100-F216 HydrophobicContact CG2-CZ 3.81Å
101M92.3Very high91.8Very high24 Ų2427.3 Ų27.312%0.11813%0.133CC..Hα-helixtrans-64-29.8175.5-70.7-175.481.600114.8L97 K99 R105 F182 R184 L189L97-M101 WeakPolarHBondContact O-CG 3.33Å; L97-M101 PolarHBondContact O-N 3.12Å; L97-M101 VanDerWaalsContact O-N 3.13Å; K99-M101 VanDerWaalsContact C-N 3.25Å; K99-M101 PolarHBondContact O-N 2.92Å; M101-R105 WeakPolarHBondContact O-CD 3.34Å; M101-R105 WeakPolarHBondContact O-CG 3.2Å; M101-F182 HydrophobicContact CE-CB 4.49Å; M101-R184 HydrophobicContact CE-CB 3.87Å; M101-R184 HydrophobicContact SD-CB 3.69Å; M101-R184 HydrophobicContact SD-CG 4.44Å; M101-L189 HydrophobicContact CE-CD2 4.06Å; M101-L189 HydrophobicContact CG-CD1 4.36Å; M101-L189 HydrophobicContact CG-CD2 3.66Å; M101-L189 HydrophobicContact SD-CD2 3.71Å
102K92.6Very high91.6Very high69 Ų6927.3 Ų27.330%0.313%0.133SC..Hα-helixtrans-73.3-46.3174.5-71.6-163.9176.6-166.30110.6K98 K99 T100 L104 R105 C106 M138 Y142K98-K102 PolarHBondContact O-N 2.92Å; K99-K102 WeakPolarHBondContact O-CA 3.49Å; K99-K102 WeakPolarHBondContact O-CB 3.46Å; K99-K102 PolarHBondContact O-N 3.26Å; T100-K102 VanDerWaalsContact C-N 3.33Å; T100-K102 PolarHBondContact O-N 3.14Å; K102-L104 PolarHBondContact O-N 3.06Å; K102-R105 WeakPolarHBondContact O-CB 3.38Å; K102-R105 PolarHBondContact O-N 2.94Å; K102-C106 PolarHBondContact O-N 3Å; K102-C106 PolarHBondContact O-SG 3.21Å; K102-M138 HydrophobicContact CB-CE 3.79Å; K102-Y142 HydrophobicContact CB-CD2 3.85Å; K102-Y142 HydrophobicContact CB-CE2 4.06Å; K102-Y142 HydrophobicContact CD-CD1 4.49Å; K102-Y142 HydrophobicContact CD-CD2 4.24Å; K102-Y142 HydrophobicContact CD-CE2 4.42Å; K102-Y142 HydrophobicContact CD-CG 4.27Å; K102-Y142 HydrophobicContact CG-CD2 3.96Å; K102-Y142 HydrophobicContact CG-CE2 3.85Å; K102-Y142 HydrophobicContact CG-CG 4.49Å
103V93.3Very high91.3Very high0 Ų030.9 Ų30.90%015%0.148CC..Hα-helixtrans-59.6-46178.2-179.10000110.9K99 T100 R105 C106 V107 M138 F216 M219 F229 P236 M239K99-V103 PolarHBondContact O-N 3.14Å; T100-V103 PolarHBondContact O-N 3.31Å; V103-R105 PolarHBondContact O-N 2.94Å; V103-R105 VanDerWaalsContact O-N 3.1Å; V103-C106 PolarHBondContact O-N 2.77Å; V103-V107 PolarHBondContact O-N 3.25Å; V103-V107 VanDerWaalsContact O-N 3.14Å; V103-M138 HydrophobicContact CG2-CE 3.77Å; V103-F216 HydrophobicContact CB-CE1 3.95Å; V103-F216 HydrophobicContact CB-CZ 3.84Å; V103-F216 HydrophobicContact CG1-CD1 4.13Å; V103-F216 HydrophobicContact CG1-CE1 3.53Å; V103-F216 HydrophobicContact CG1-CZ 3.88Å; V103-M219 HydrophobicContact CG1-CE 4.02Å; V103-M219 HydrophobicContact CG1-SD 3.86Å; V103-F229 HydrophobicContact CG2-CE1 4.39Å; V103-F229 HydrophobicContact CG2-CE2 3.7Å; V103-F229 HydrophobicContact CG2-CZ 3.38Å; V103-P236 HydrophobicContact CG1-CB 4.43Å; V103-M239 HydrophobicContact CG2-CE 3.99Å
104L93.1Very high91.1Very high1 Ų130.2 Ų30.21%0.00515%0.146CC..THydrogen-bonded Turntrans-55.7-26.5174.2-81.9173.3000114.2T100 K102 F182 V212 V215 F216T100-L104 HydrophobicContact CG2-CD1 4.49Å; T100-L104 WeakPolarHBondContact O-CB 3.48Å; T100-L104 PolarHBondContact O-N 3.41Å; K102-L104 PolarHBondContact O-N 3.06Å; L104-F182 HydrophobicContact CB-CD1 4.33Å; L104-F182 HydrophobicContact CB-CD2 4.19Å; L104-F182 HydrophobicContact CB-CE1 4.08Å; L104-F182 HydrophobicContact CB-CE2 3.94Å; L104-F182 HydrophobicContact CB-CG 4.37Å; L104-F182 HydrophobicContact CB-CZ 3.85Å; L104-F182 HydrophobicContact CD1-CD1 4.1Å; L104-F182 HydrophobicContact CD1-CE1 4.05Å; L104-F182 HydrophobicContact CD2-CE1 4.13Å; L104-F182 HydrophobicContact CD2-CZ 4.15Å; L104-F182 HydrophobicContact CG-CE1 4.33Å; L104-F182 HydrophobicContact CG-CZ 4.44Å; L104-F182 WeakPolarHBondContact O-CE2 3.49Å; L104-F182 WeakPolarHBondContact O-CZ 3.28Å; L104-V212 HydrophobicContact CD1-CG1 3.95Å; L104-V212 HydrophobicContact CD1-CG2 4.03Å; L104-V212 HydrophobicContact CD2-CG1 4.13Å; L104-V212 HydrophobicContact CG-CG1 4.16Å; L104-V215 HydrophobicContact CD2-CG1 4.32Å; L104-F216 HydrophobicContact CD2-CE1 4Å; L104-F216 HydrophobicContact CG-CE1 3.95Å; L104-F216 HydrophobicContact CG-CZ 4.04Å
105R92.6Very high91Very high80 Ų8029.4 Ų29.430%0.30214%0.142SC..THydrogen-bonded Turntrans-89.1-8.1175.8-70.6170.1178.2-169.82.4113.6M101 K102 V103 Y142 F182M101-R105 WeakPolarHBondContact O-CD 3.34Å; M101-R105 WeakPolarHBondContact O-CG 3.2Å; K102-R105 WeakPolarHBondContact O-CB 3.38Å; K102-R105 PolarHBondContact O-N 2.94Å; V103-R105 PolarHBondContact O-N 2.94Å; V103-R105 VanDerWaalsContact O-N 3.1Å; R105-Y142 HydrophobicContact CB-CD2 4.4Å; R105-Y142 HydrophobicContact CB-CE2 3.96Å; R105-Y142 PolarHBondContact NH1-OH 3.42Å; R105-F182 HydrophobicContact CG-CD2 3.7Å; R105-F182 HydrophobicContact CG-CE2 4.34Å; R105-F182 PolarHBondContact NH2-O 3.08Å
106C91.7Very high90.8Very high0 Ų028.3 Ų28.30%013%0.128CC..THydrogen-bonded Turntrans-99.2-28177.2-580000113K102 V103 L115 C145 L227K102-C106 PolarHBondContact O-N 3Å; K102-C106 PolarHBondContact O-SG 3.21Å; V103-C106 PolarHBondContact O-N 2.77Å; C106-L115 WeakPolarHBondContact O-CG 3.09Å; C106-L115 PolarHBondContact O-N 2.89Å; C106-C145 HydrophobicContact CB-CB 4.17Å; C106-L227 HydrophobicContact CB-CD1 4.46Å; C106-L227 HydrophobicContact CB-CD2 3.56Å
107V91.9Very high90.3Very high1 Ų130 Ų301%0.00614%0.138CC..BIsolated β-bridgetrans-104.5151.3179-57.70000112V103 F109 K113 V215 M219 L227V103-V107 PolarHBondContact O-N 3.25Å; V103-V107 VanDerWaalsContact O-N 3.14Å; V107-F109 PolarHBondContact O-N 2.84Å; V107-K113 CarbonylContact C-O 3.56Å; V107-K113 WeakPolarHBondContact CA-O 3.24Å; V107-V215 HydrophobicContact CG2-CG1 4.1Å; V107-M219 HydrophobicContact CG1-CE 3.76Å; V107-M219 HydrophobicContact CG1-CG 4.23Å; V107-M219 HydrophobicContact CG1-SD 3.92Å; V107-M219 HydrophobicContact CG2-SD 4.43Å; V107-L227 HydrophobicContact CG1-CD1 4.12Å
108C91.5Very high89.8Confident0 Ų031 Ų310%014%0.144CC..  trans-67.6125.81721720000110.8Y110 C111 S112 K113 L115 C151 Q179C108-Y110 PolarHBondContact O-N 2.78Å; C108-Y110 PolarHBondContact SG-N 2.81Å; C108-C111 VanDerWaalsContact CB-SG 3.55Å; C108-S112 VanDerWaalsContact O-CA 3.29Å; C108-S112 WeakPolarHBondContact O-CA 3.48Å; C108-S112 PolarHBondContact O-N 3.17Å; C108-K113 PolarHBondContact N-O 3.09Å; C108-L115 HydrophobicContact CB-CD2 3.83Å; C108-C151 HydrophobicContact CB-CB 4.13Å; C108-Q179 PolarHBondContact SG-NE2 3.39Å
109F90.5Very high89.1Confident8 Ų827.7 Ų27.74%0.03513%0.131CC..THydrogen-bonded Turntrans-59.3-19.2-178.9-175-110.1000114.8V107 P180 F182 W193 I205 L207 R211 V215V107-F109 PolarHBondContact O-N 2.84Å; F109-P180 HydrophobicContact CB-CG 4.31Å; F109-P180 HydrophobicContact CG-CG 4.26Å; F109-F182 HydrophobicContact CD2-CE1 4.14Å; F109-F182 HydrophobicContact CD2-CZ 4.06Å; F109-F182 HydrophobicContact CE2-CE1 4.42Å; F109-W193 HydrophobicContact CD1-CH2 4.3Å; F109-W193 AromaticContact CD1-CZ2 3.85Å; F109-W193 HydrophobicContact CD1-CZ2 3.85Å; F109-W193 AromaticContact CE1-CH2 3.96Å; F109-W193 HydrophobicContact CE1-CH2 3.96Å; F109-W193 AromaticContact CE1-CZ2 3.98Å; F109-W193 HydrophobicContact CE1-CZ2 3.98Å; F109-I205 HydrophobicContact CZ-CD1 4.42Å; F109-L207 HydrophobicContact CE2-CD2 3.72Å; F109-L207 HydrophobicContact CZ-CD2 3.66Å; F109-R211 HydrophobicContact CE2-CG 4.48Å; F109-R211 HydrophobicContact CZ-CG 4.16Å; F109-V215 HydrophobicContact CD2-CG2 4.2Å; F109-V215 HydrophobicContact CE2-CG2 4.28Å
110Y88.5Confident88.6Confident45 Ų4528.3 Ų28.318%0.17614%0.138CC..THydrogen-bonded Turntrans-101.6-51.7-179-57.5-83.3000114.3C108 R177 W193 N197 Q201C108-Y110 PolarHBondContact O-N 2.78Å; C108-Y110 PolarHBondContact SG-N 2.81Å; Y110-R177 HydrophobicContact CD2-CB 3.63Å; Y110-R177 HydrophobicContact CD2-CG 4.21Å; Y110-R177 HydrophobicContact CE2-CB 3.86Å; Y110-R177 HydrophobicContact CG-CB 4.43Å; Y110-R177 VanDerWaalsContact CG-CD 3.46Å; Y110-W193 WeakPolarHBondContact OH-CZ2 3.19Å; Y110-N197 PolarHBondContact OH-ND2 3.28Å; Y110-Q201 PolarHBondContact OH-NE2 2.83Å
111C88.9Confident88.2Confident41 Ų4133.3 Ų33.328%0.27717%0.173SC..THydrogen-bonded Turntrans-101.7-0-175.972.70000114.9C108 K113 C175C108-C111 VanDerWaalsContact CB-SG 3.55Å; C111-K113 PolarHBondContact O-N 3Å; C111-C175 HydrophobicContact CB-CB 4.09Å; C111-C175 VanDerWaalsContact SG-SG 3.65Å
112S89.4Confident87.9Confident1 Ų138 Ų381%0.00719%0.189CC..  trans57.70.4178.1-60.80000117.8C108 V215 R218C108-S112 VanDerWaalsContact O-CA 3.29Å; C108-S112 WeakPolarHBondContact O-CA 3.48Å; C108-S112 PolarHBondContact O-N 3.17Å; S112-V215 WeakPolarHBondContact CB-O 3.14Å; S112-V215 PolarHBondContact OG-O 3.49Å; S112-R218 WeakPolarHBondContact OG-CB 3.4Å
113K87.3Confident87.6Confident86 Ų8634.8 Ų34.837%0.37418%0.175SC..  trans-67.4151.6169.7-61.1-173.3-176.4-176.50110.9V107 C108 C111 S173V107-K113 CarbonylContact C-O 3.56Å; V107-K113 WeakPolarHBondContact CA-O 3.24Å; C108-K113 PolarHBondContact N-O 3.09Å; C111-K113 PolarHBondContact O-N 3Å; K113-S173 PolarHBondContact NZ-O 3.44Å
114I88.9Confident87.3Confident17 Ų1738.6 Ų38.69%0.08719%0.193CC..BIsolated β-bridgetrans-62.5143.8172.6-166169.2000111.5V116 V118 M141 L227I114-V116 VanDerWaalsContact C-N 3.27Å; I114-V116 PolarHBondContact O-N 3.17Å; I114-V118 HydrophobicContact CG2-CG2 4.09Å; I114-M141 HydrophobicContact CD1-CE 3.35Å; I114-L227 HydrophobicContact CD1-CD2 3.58Å; I114-L227 HydrophobicContact CD1-CG 3.94Å; I114-L227 HydrophobicContact CG1-CD2 4.24Å
115L88.9Confident87.1Confident5 Ų541.7 Ų41.73%0.02621%0.208CC..SBendtrans-77.6-1.9-173.1-69.9173.7000115.2C106 C108 R148 C151 Q179C106-L115 WeakPolarHBondContact O-CG 3.09Å; C106-L115 PolarHBondContact O-N 2.89Å; C108-L115 HydrophobicContact CB-CD2 3.83Å; L115-R148 HydrophobicContact CB-CB 4.28Å; L115-C151 HydrophobicContact CD2-CB 4.1Å; L115-Q179 HydrophobicContact CD1-CG 4.06Å; L115-Q179 HydrophobicContact CD2-CG 3.81Å
116V84.5Confident87Confident11 Ų1138.4 Ų38.47%0.06720%0.196CC..SBendtrans-129.7138.8-177.4-171.50000109.5I114 V118 I123 E144 C145 R148I114-V116 VanDerWaalsContact C-N 3.27Å; I114-V116 PolarHBondContact O-N 3.17Å; V116-V118 PolarHBondContact O-N 3.47Å; V116-I123 HydrophobicContact CB-CD1 4.42Å; V116-I123 HydrophobicContact CB-CG1 4.39Å; V116-I123 HydrophobicContact CG1-CD1 3.9Å; V116-I123 HydrophobicContact CG1-CG1 3.57Å; V116-E144 HydrophobicContact CG2-CB 4.47Å; V116-C145 HydrophobicContact CG2-CB 4.39Å; V116-R148 HydrophobicContact CG2-CG 4.21Å
117D82Confident86.8Confident55 Ų5540 Ų4029%0.29421%0.205SC..  trans-63.6120.6174.8179.318.3000111.3Q119 S120D117-Q119 PolarHBondContact O-N 3.05Å; D117-Q119 PolarHBondContact OD1-N 3.26Å; D117-S120 VanDerWaalsContact O-CB 3.31Å; D117-S120 WeakPolarHBondContact O-CB 3.48Å; D117-S120 PolarHBondContact O-N 3.1Å; D117-S120 VanDerWaalsContact O-N 3.08Å; D117-S120 PolarHBondContact O-OG 2.86Å
118V80.7Confident86.6Confident24 Ų2449.5 Ų49.515%0.14524%0.24CC..THydrogen-bonded Turntrans-63-24.3176.6-174.60000111.5I114 V116 S120 Q124 L127I114-V118 HydrophobicContact CG2-CG2 4.09Å; V116-V118 PolarHBondContact O-N 3.47Å; V118-S120 VanDerWaalsContact C-N 3.34Å; V118-Q124 PolarHBondContact O-NE2 3.24Å; V118-L127 HydrophobicContact CG1-CD1 3.97Å
119Q77.3Confident86.4Confident88 Ų8856.7 Ų56.741%0.41127%0.271SS..THydrogen-bonded Turntrans-81.4-9.3176.3-56.9-172.89.500113.7D117D117-Q119 PolarHBondContact O-N 3.05Å; D117-Q119 PolarHBondContact OD1-N 3.26Å
120S81.8Confident86.2Confident36 Ų3656.5 Ų56.525%0.25227%0.271SS..SBendtrans-61.4140.5177.865.30000111.5D117 V118 R122 I123 Q124D117-S120 VanDerWaalsContact O-CB 3.31Å; D117-S120 WeakPolarHBondContact O-CB 3.48Å; D117-S120 PolarHBondContact O-N 3.1Å; D117-S120 VanDerWaalsContact O-N 3.08Å; D117-S120 PolarHBondContact O-OG 2.86Å; V118-S120 VanDerWaalsContact C-N 3.34Å; S120-R122 PolarHBondContact O-N 3.14Å; S120-R122 VanDerWaalsContact O-N 3.16Å; S120-I123 PolarHBondContact O-N 3.26Å; S120-I123 VanDerWaalsContact O-N 3.09Å; S120-I123 WeakPolarHBondContact OG-CB 3.41Å; S120-I123 WeakPolarHBondContact OG-CG1 3.49Å; S120-Q124 PolarHBondContact O-N 3.5Å
121S84.7Confident85.8Confident107 Ų10762.9 Ų62.975%0.74830%0.3SS*.Hα-helixtrans-54.3-38.8-175.553.80000112.6E125S121-E125 WeakPolarHBondContact O-CB 3.3Å; S121-E125 PolarHBondContact O-N 3.25Å
122R86.8Confident85Confident123 Ų12365 Ų6546%0.46433%0.328SS..Hα-helixtrans-67.4-43.5177.8-175.853.1168.9-167.4-9.9113.3S120 E125 I126 E144S120-R122 PolarHBondContact O-N 3.14Å; S120-R122 VanDerWaalsContact O-N 3.16Å; R122-E125 WeakPolarHBondContact CD-OE2 3.29Å; R122-E125 IonicContact CZ-OE2 2.66Å; R122-E125 IonicContact NH1-OE2 2.65Å; R122-E125 PolarHBondContact NH1-OE2 3.11Å; R122-E125 WeakPolarHBondContact O-CB 3.1Å; R122-E125 PolarHBondContact O-N 3.37Å; R122-I126 HydrophobicContact CG-CD1 4.16Å; R122-I126 WeakPolarHBondContact O-CG1 3.43Å; R122-I126 PolarHBondContact O-N 3.04Å; R122-E144 WeakPolarHBondContact CG-OE1 3.34Å; R122-E144 IonicContact NE-OE1 2.73Å; R122-E144 PolarHBondContact NE-OE1 2.78Å
123I86Confident84.6Confident1 Ų166.8 Ų66.81%0.00534%0.337CS..Hα-helixtrans-70.2-39.4177.3-62-62.7000110.6V116 S120 E125 I126 L127 M141 E144V116-I123 HydrophobicContact CB-CD1 4.42Å; V116-I123 HydrophobicContact CB-CG1 4.39Å; V116-I123 HydrophobicContact CG1-CD1 3.9Å; V116-I123 HydrophobicContact CG1-CG1 3.57Å; S120-I123 PolarHBondContact O-N 3.26Å; S120-I123 VanDerWaalsContact O-N 3.09Å; S120-I123 WeakPolarHBondContact OG-CB 3.41Å; S120-I123 WeakPolarHBondContact OG-CG1 3.49Å; I123-E125 VanDerWaalsContact C-N 3.29Å; I123-E125 PolarHBondContact O-N 2.94Å; I123-I126 HydrophobicContact CD1-CD1 4.16Å; I123-I126 PolarHBondContact O-N 3.15Å; I123-I126 VanDerWaalsContact O-N 3.16Å; I123-L127 HydrophobicContact CG2-CD1 4.03Å; I123-L127 HydrophobicContact CG2-CG 4.22Å; I123-L127 WeakPolarHBondContact O-CB 3.23Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.13Å; I123-L127 PolarHBondContact O-N 3.26Å; I123-M141 HydrophobicContact CD1-CE 3.96Å; I123-M141 HydrophobicContact CD1-SD 3.74Å; I123-M141 HydrophobicContact CG2-CE 3.89Å; I123-M141 HydrophobicContact CG2-SD 3.9Å; I123-E144 HydrophobicContact CD1-CB 4.18Å; I123-E144 HydrophobicContact CD1-CG 4.1Å
124Q86.8Confident84.6Confident80 Ų8064.9 Ų64.937%0.37433%0.331SS..Hα-helixtrans-59.8-38.1171.8-72.7-66.2-38.900112.4V118 S120 R128V118-Q124 PolarHBondContact O-NE2 3.24Å; S120-Q124 PolarHBondContact O-N 3.5Å; Q124-R128 VanDerWaalsContact O-CB 3.31Å; Q124-R128 WeakPolarHBondContact O-CB 3.44Å; Q124-R128 PolarHBondContact O-N 3.45Å
125E89.5Confident84.4Confident67 Ų6768.1 Ų68.131%0.31334%0.342SS..Hα-helixtrans-63.7-46.1172-170.8-166.2-169.100111.9S121 R122 I123 R128 K129S121-E125 WeakPolarHBondContact O-CB 3.3Å; S121-E125 PolarHBondContact O-N 3.25Å; R122-E125 WeakPolarHBondContact CD-OE2 3.29Å; R122-E125 IonicContact CZ-OE2 2.66Å; R122-E125 IonicContact NH1-OE2 2.65Å; R122-E125 PolarHBondContact NH1-OE2 3.11Å; R122-E125 WeakPolarHBondContact O-CB 3.1Å; R122-E125 PolarHBondContact O-N 3.37Å; I123-E125 VanDerWaalsContact C-N 3.29Å; I123-E125 PolarHBondContact O-N 2.94Å; E125-R128 PolarHBondContact O-N 3.34Å; E125-K129 HydrophobicContact CG-CD 4.22Å; E125-K129 WeakPolarHBondContact O-CB 3.44Å; E125-K129 WeakPolarHBondContact O-CG 3.36Å; E125-K129 PolarHBondContact O-N 3.01Å; E125-K129 WeakPolarHBondContact OE1-CE 3.13Å; E125-K129 IonicContact OE1-NZ 2.85Å; E125-K129 PolarHBondContact OE1-NZ 3.13Å
126I89.8Confident84.2Confident10 Ų1073.6 Ų73.65%0.05136%0.363CS..Hα-helixtrans-61.5-48177.5-72.1160.6000111R122 I123 R128 K129 T130 F140 M141 E144R122-I126 HydrophobicContact CG-CD1 4.16Å; R122-I126 WeakPolarHBondContact O-CG1 3.43Å; R122-I126 PolarHBondContact O-N 3.04Å; I123-I126 HydrophobicContact CD1-CD1 4.16Å; I123-I126 PolarHBondContact O-N 3.15Å; I123-I126 VanDerWaalsContact O-N 3.16Å; I126-R128 VanDerWaalsContact C-N 3.3Å; I126-R128 PolarHBondContact O-N 3.32Å; I126-K129 PolarHBondContact O-N 3.43Å; I126-T130 HydrophobicContact CG2-CG2 4.41Å; I126-T130 WeakPolarHBondContact O-CB 3.31Å; I126-T130 WeakPolarHBondContact O-CG2 3.28Å; I126-T130 PolarHBondContact O-N 3.25Å; I126-T130 PolarHBondContact O-OG1 2.91Å; I126-F140 HydrophobicContact CD1-CB 4.11Å; I126-F140 HydrophobicContact CG1-CB 4.17Å; I126-F140 HydrophobicContact CG2-CB 3.68Å; I126-F140 HydrophobicContact CG2-CG 4.46Å; I126-M141 HydrophobicContact CG2-SD 4.16Å; I126-E144 HydrophobicContact CD1-CG 3.84Å
127L87.8Confident84.5Confident35 Ų3574.4 Ų74.418%0.18337%0.365CS..Hα-helixtrans-60.4-40.3177.6-69.4173.9000111.5V118 I123 K131 R137V118-L127 HydrophobicContact CG1-CD1 3.97Å; I123-L127 HydrophobicContact CG2-CD1 4.03Å; I123-L127 HydrophobicContact CG2-CG 4.22Å; I123-L127 WeakPolarHBondContact O-CB 3.23Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.13Å; I123-L127 PolarHBondContact O-N 3.26Å; L127-K131 PolarHBondContact O-N 3.17Å; L127-R137 HydrophobicContact CD2-CG 4.27Å
128R87.8Confident84.9Confident199 Ų19971.9 Ų71.975%0.75135%0.351SS*.Hα-helixtrans-64.6-46175.3-167.5-175.1-56.51703.5112.2Q124 E125 I126 T130Q124-R128 VanDerWaalsContact O-CB 3.31Å; Q124-R128 WeakPolarHBondContact O-CB 3.44Å; Q124-R128 PolarHBondContact O-N 3.45Å; E125-R128 PolarHBondContact O-N 3.34Å; I126-R128 VanDerWaalsContact C-N 3.3Å; I126-R128 PolarHBondContact O-N 3.32Å; R128-T130 VanDerWaalsContact C-N 3.33Å; R128-T130 PolarHBondContact O-N 3.38Å
129K86.5Confident85.3Confident151 Ų15172.7 Ų72.766%0.65736%0.358SS*.Hα-helixtrans-70.2-25.4179.6-72.5-179.5-176.4176.50113.6E125 I126E125-K129 HydrophobicContact CG-CD 4.22Å; E125-K129 WeakPolarHBondContact O-CB 3.44Å; E125-K129 WeakPolarHBondContact O-CG 3.36Å; E125-K129 PolarHBondContact O-N 3.01Å; E125-K129 WeakPolarHBondContact OE1-CE 3.13Å; E125-K129 IonicContact OE1-NZ 2.85Å; E125-K129 PolarHBondContact OE1-NZ 3.13Å; I126-K129 PolarHBondContact O-N 3.43Å
130T85.8Confident85.9Confident5 Ų572.7 Ų72.73%0.03136%0.357CS..THydrogen-bonded Turntrans-109.819.9-173.462.50000113.9I126 R128 G132 D133 R136 R137 F140I126-T130 HydrophobicContact CG2-CG2 4.41Å; I126-T130 WeakPolarHBondContact O-CB 3.31Å; I126-T130 WeakPolarHBondContact O-CG2 3.28Å; I126-T130 PolarHBondContact O-N 3.25Å; I126-T130 PolarHBondContact O-OG1 2.91Å; R128-T130 VanDerWaalsContact C-N 3.33Å; R128-T130 PolarHBondContact O-N 3.38Å; T130-G132 PolarHBondContact O-N 3.01Å; T130-G132 VanDerWaalsContact O-N 3.11Å; T130-D133 PolarHBondContact O-N 3.04Å; T130-D133 VanDerWaalsContact O-N 3.13Å; T130-R136 HydrophobicContact CG2-CB 4.14Å; T130-R137 HydrophobicContact CG2-CB 4.38Å; T130-R137 PolarHBondContact O-NH2 2.7Å; T130-R137 WeakPolarHBondContact OG1-CB 3.41Å; T130-R137 WeakPolarHBondContact OG1-CG 3.45Å; T130-R137 PolarHBondContact OG1-NE 3.23Å; T130-F140 HydrophobicContact CG2-CD2 3.86Å; T130-F140 HydrophobicContact CG2-CE2 4.21Å
131K80.1Confident86.3Confident179 Ų17971 Ų7178%0.77835%0.345SS*.THydrogen-bonded Turntrans-54.3-35.5-174.4-169.3176.1179.2-178.20113.8L127 R137L127-K131 PolarHBondContact O-N 3.17Å; K131-R137 PolarHBondContact O-NH2 2.71Å
132G73.7Confident86.7Confident84 Ų8467.3 Ų67.387%0.86632%0.315SS*.THydrogen-bonded Turntrans-103.2-0.3178.500000116.4T130T130-G132 PolarHBondContact O-N 3.01Å; T130-G132 VanDerWaalsContact O-N 3.11Å
133D80.6Confident86.8Confident39 Ų3966.6 Ų66.621%0.20932%0.317CS..  trans-130.489.7-178.1-173.3-22.3000110.4T130 R135 R136 R137T130-D133 PolarHBondContact O-N 3.04Å; T130-D133 VanDerWaalsContact O-N 3.13Å; D133-R135 PolarHBondContact O-N 3.46Å; D133-R135 WeakPolarHBondContact OD1-CA 3.44Å; D133-R135 WeakPolarHBondContact OD1-CB 3.49Å; D133-R135 PolarHBondContact OD1-N 3Å; D133-R136 HydrophobicContact CB-CB 4.17Å; D133-R136 HydrophobicContact CB-CG 4.47Å; D133-R136 PolarHBondContact O-N 3.25Å; D133-R136 PolarHBondContact OD1-N 3.23Å; D133-R136 WeakPolarHBondContact OD2-CD 3.13Å; D133-R136 WeakPolarHBondContact OD2-CG 3.3Å; D133-R136 IonicContact OD2-CZ 2.76Å; D133-R136 IonicContact OD2-NE 2.76Å; D133-R136 PolarHBondContact OD2-NE 3.06Å; D133-R136 IonicContact OD2-NH2 3.33Å; D133-R137 PolarHBondContact O-N 3.14Å
134N86.6Confident86.9Confident46 Ų4669.1 Ų69.125%0.24633%0.329CS..Hα-helixtrans-60-32.3177.6-73.7-10.5000112.4R137 M138 G228 H1435N134-R137 WeakPolarHBondContact O-CB 3.36Å; N134-R137 PolarHBondContact O-N 2.93Å; N134-R137 PolarHBondContact OD1-NH2 3.03Å; N134-M138 PolarHBondContact O-N 3.35Å; N134-G228 WeakPolarHBondContact CB-O 3.33Å; N134-H1435 HydrophobicContact CB-CB 4.08Å; N134-H1435 PolarHBondContact ND2-O 3.03Å
135R84.4Confident87.1Confident85 Ų8565.3 Ų65.332%0.32131%0.311SS..Hα-helixtrans-69.3-45.3179.9177.9-171.9-170.4-162.58.3111.3D133 S139 N1410 E1431D133-R135 PolarHBondContact O-N 3.46Å; D133-R135 WeakPolarHBondContact OD1-CA 3.44Å; D133-R135 WeakPolarHBondContact OD1-CB 3.49Å; D133-R135 PolarHBondContact OD1-N 3Å; R135-S139 PolarHBondContact O-N 3.26Å; R135-N1410 PolarHBondContact NH1-O 2.94Å; R135-N1410 VanDerWaalsContact NH1-O 3.1Å; R135-E1431 IonicContact CZ-OE1 3.81Å; R135-E1431 IonicContact CZ-OE2 3.95Å; R135-E1431 IonicContact NE-OE1 3.69Å; R135-E1431 PolarHBondContact NE-OE1 3.38Å; R135-E1431 IonicContact NE-OE2 3.53Å; R135-E1431 PolarHBondContact NE-OE2 2.91Å; R135-E1431 VanDerWaalsContact NE-OE2 3.07Å; R135-E1431 IonicContact NH2-OE1 2.7Å; R135-E1431 IonicContact NH2-OE2 2.67Å; R135-E1431 PolarHBondContact NH2-OE2 3.04Å
136R85.6Confident86.9Confident121 Ų12168.6 Ų68.646%0.45732%0.324SS..Hα-helixtrans-64.9-41.5172.5-78.3-177.8-142.3-149.14.9111.4T130 D133 M138 S139 F140 D1413T130-R136 HydrophobicContact CG2-CB 4.14Å; D133-R136 HydrophobicContact CB-CB 4.17Å; D133-R136 HydrophobicContact CB-CG 4.47Å; D133-R136 PolarHBondContact O-N 3.25Å; D133-R136 PolarHBondContact OD1-N 3.23Å; D133-R136 WeakPolarHBondContact OD2-CD 3.13Å; D133-R136 WeakPolarHBondContact OD2-CG 3.3Å; D133-R136 IonicContact OD2-CZ 2.76Å; D133-R136 IonicContact OD2-NE 2.76Å; D133-R136 PolarHBondContact OD2-NE 3.06Å; D133-R136 IonicContact OD2-NH2 3.33Å; R136-M138 PolarHBondContact O-N 3.05Å; R136-S139 PolarHBondContact O-N 3.33Å; R136-F140 HydrophobicContact CB-CD2 4.38Å; R136-F140 HydrophobicContact CB-CE2 4.19Å; R136-F140 VanDerWaalsContact O-CD2 3.24Å; R136-F140 WeakPolarHBondContact O-CD2 3.48Å; R136-F140 PolarHBondContact O-N 2.9Å; R136-D1413 IonicContact NH2-OD1 2.81Å
137R89.9Confident86.6Confident28 Ų2873 Ų7311%0.10635%0.352CS..Hα-helixtrans-51.9-55174.8-168.2179.9-57153.316.6110.9L127 T130 K131 D133 N134 S139 F140 M141 L225 S226L127-R137 HydrophobicContact CD2-CG 4.27Å; T130-R137 HydrophobicContact CG2-CB 4.38Å; T130-R137 PolarHBondContact O-NH2 2.7Å; T130-R137 WeakPolarHBondContact OG1-CB 3.41Å; T130-R137 WeakPolarHBondContact OG1-CG 3.45Å; T130-R137 PolarHBondContact OG1-NE 3.23Å; K131-R137 PolarHBondContact O-NH2 2.71Å; D133-R137 PolarHBondContact O-N 3.14Å; N134-R137 WeakPolarHBondContact O-CB 3.36Å; N134-R137 PolarHBondContact O-N 2.93Å; N134-R137 PolarHBondContact OD1-NH2 3.03Å; R137-S139 PolarHBondContact O-N 2.95Å; R137-F140 PolarHBondContact O-N 2.86Å; R137-M141 HydrophobicContact CG-CG 4.08Å; R137-M141 WeakPolarHBondContact O-CB 3.38Å; R137-M141 WeakPolarHBondContact O-CG 3.15Å; R137-M141 PolarHBondContact O-N 3.33Å; R137-L225 PolarHBondContact NH1-O 3.45Å; R137-S226 VanDerWaalsContact CD-O 3.26Å; R137-S226 WeakPolarHBondContact CD-O 3.33Å
138M89.9Confident86.5Confident2 Ų277.1 Ų77.11%0.0137%0.365CS..Hα-helixtrans-59.2-30.6178.7-175.956.4-171.500113.1K99 K102 V103 N134 R136 Y142 L227 F229K99-M138 HydrophobicContact CD-CG 4.43Å; K102-M138 HydrophobicContact CB-CE 3.79Å; V103-M138 HydrophobicContact CG2-CE 3.77Å; N134-M138 PolarHBondContact O-N 3.35Å; R136-M138 PolarHBondContact O-N 3.05Å; M138-Y142 WeakPolarHBondContact O-CB 3.42Å; M138-Y142 PolarHBondContact O-N 2.86Å; M138-Y142 VanDerWaalsContact O-N 3.14Å; M138-L227 WeakPolarHBondContact CA-O 3.48Å; M138-L227 VanDerWaalsContact CB-O 3.28Å; M138-L227 WeakPolarHBondContact CB-O 3.43Å; M138-L227 PolarHBondContact N-O 2.97Å; M138-L227 HydrophobicContact SD-CB 4.15Å; M138-L227 HydrophobicContact SD-CD2 4.24Å; M138-F229 HydrophobicContact CE-CE2 4.18Å; M138-F229 HydrophobicContact CE-CZ 4.39Å; M138-F229 HydrophobicContact SD-CE2 3.78Å; M138-F229 HydrophobicContact SD-CZ 4.36Å
139S90.1Very high86.3Confident41 Ų4171.1 Ų71.129%0.28735%0.353SS..Hα-helixtrans-72.8-48.1177-154.50000112.6R135 R136 R137 Y142 E143R135-S139 PolarHBondContact O-N 3.26Å; R136-S139 PolarHBondContact O-N 3.33Å; R137-S139 PolarHBondContact O-N 2.95Å; S139-Y142 PolarHBondContact O-N 3.16Å; S139-E143 PolarHBondContact O-N 3.43Å
140F90.2Very high86.2Confident88 Ų8868 Ų6839%0.38634%0.341SS..Hα-helixtrans-66.8-44.3178.2-69.3-61.4000111.8I126 T130 R136 R137 Y142 E143 E144I126-F140 HydrophobicContact CD1-CB 4.11Å; I126-F140 HydrophobicContact CG1-CB 4.17Å; I126-F140 HydrophobicContact CG2-CB 3.68Å; I126-F140 HydrophobicContact CG2-CG 4.46Å; T130-F140 HydrophobicContact CG2-CD2 3.86Å; T130-F140 HydrophobicContact CG2-CE2 4.21Å; R136-F140 HydrophobicContact CB-CD2 4.38Å; R136-F140 HydrophobicContact CB-CE2 4.19Å; R136-F140 VanDerWaalsContact O-CD2 3.24Å; R136-F140 WeakPolarHBondContact O-CD2 3.48Å; R136-F140 PolarHBondContact O-N 2.9Å; R137-F140 PolarHBondContact O-N 2.86Å; F140-Y142 VanDerWaalsContact C-N 3.25Å; F140-Y142 PolarHBondContact O-N 3.14Å; F140-E143 PolarHBondContact O-N 2.72Å; F140-E143 VanDerWaalsContact O-N 3.14Å; F140-E144 WeakPolarHBondContact O-CG 3.45Å; F140-E144 PolarHBondContact O-N 3.1Å; F140-E144 VanDerWaalsContact O-N 3.12Å
141M90Very high86.2Confident0 Ų067.9 Ų67.90%034%0.34CS..Hα-helixtrans-57.6-40.2174.5-65.3-59.2-65.500111.4I114 I123 I126 R137 C145 L227I114-M141 HydrophobicContact CD1-CE 3.35Å; I123-M141 HydrophobicContact CD1-CE 3.96Å; I123-M141 HydrophobicContact CD1-SD 3.74Å; I123-M141 HydrophobicContact CG2-CE 3.89Å; I123-M141 HydrophobicContact CG2-SD 3.9Å; I126-M141 HydrophobicContact CG2-SD 4.16Å; R137-M141 HydrophobicContact CG-CG 4.08Å; R137-M141 WeakPolarHBondContact O-CB 3.38Å; R137-M141 WeakPolarHBondContact O-CG 3.15Å; R137-M141 PolarHBondContact O-N 3.33Å; M141-C145 WeakPolarHBondContact O-CB 3.2Å; M141-C145 PolarHBondContact O-N 3.32Å; M141-C145 PolarHBondContact O-SG 3.06Å; M141-L227 HydrophobicContact CB-CD2 4.25Å
142Y92.2Very high85.9Confident30 Ų3062.1 Ų62.112%0.11832%0.317CS..Hα-helixtrans-66.4-37.9176.3169-96.1000113.5K102 R105 M138 S139 F140 K146K102-Y142 HydrophobicContact CB-CD2 3.85Å; K102-Y142 HydrophobicContact CB-CE2 4.06Å; K102-Y142 HydrophobicContact CD-CD1 4.49Å; K102-Y142 HydrophobicContact CD-CD2 4.24Å; K102-Y142 HydrophobicContact CD-CE2 4.42Å; K102-Y142 HydrophobicContact CD-CG 4.27Å; K102-Y142 HydrophobicContact CG-CD2 3.96Å; K102-Y142 HydrophobicContact CG-CE2 3.85Å; K102-Y142 HydrophobicContact CG-CG 4.49Å; R105-Y142 HydrophobicContact CB-CD2 4.4Å; R105-Y142 HydrophobicContact CB-CE2 3.96Å; R105-Y142 PolarHBondContact NH1-OH 3.42Å; M138-Y142 WeakPolarHBondContact O-CB 3.42Å; M138-Y142 PolarHBondContact O-N 2.86Å; M138-Y142 VanDerWaalsContact O-N 3.14Å; S139-Y142 PolarHBondContact O-N 3.16Å; F140-Y142 VanDerWaalsContact C-N 3.25Å; F140-Y142 PolarHBondContact O-N 3.14Å; Y142-K146 HydrophobicContact CE1-CD 4.19Å; Y142-K146 WeakPolarHBondContact O-CB 3.49Å; Y142-K146 PolarHBondContact O-N 3.32Å
143E90.7Very high85.5Confident107 Ų10759.8 Ų59.850%0.529%0.287SS..Hα-helixtrans-64.9-46.5177.7-77.5166.3-167.100111.4S139 F140S139-E143 PolarHBondContact O-N 3.43Å; F140-E143 PolarHBondContact O-N 2.72Å; F140-E143 VanDerWaalsContact O-N 3.14Å
144E88Confident84.4Confident55 Ų5562.8 Ų62.826%0.25730%0.304SS..Hα-helixtrans-62.2-50.6174.7-61.2-70.4170.800111.1V116 R122 I123 I126 F140 K146 T147V116-E144 HydrophobicContact CG2-CB 4.47Å; R122-E144 WeakPolarHBondContact CG-OE1 3.34Å; R122-E144 IonicContact NE-OE1 2.73Å; R122-E144 PolarHBondContact NE-OE1 2.78Å; I123-E144 HydrophobicContact CD1-CB 4.18Å; I123-E144 HydrophobicContact CD1-CG 4.1Å; I126-E144 HydrophobicContact CD1-CG 3.84Å; F140-E144 WeakPolarHBondContact O-CG 3.45Å; F140-E144 PolarHBondContact O-N 3.1Å; F140-E144 VanDerWaalsContact O-N 3.12Å; E144-K146 PolarHBondContact O-N 3.32Å; E144-T147 PolarHBondContact O-N 3.09Å; E144-T147 PolarHBondContact O-OG1 2.95Å
145C89.2Confident82.8Confident0 Ų066.7 Ų66.70%033%0.325CS..Hα-helixtrans-64.6-37.2-178-660000113.5C106 V116 M141 T147 R148C106-C145 HydrophobicContact CB-CB 4.17Å; V116-C145 HydrophobicContact CG2-CB 4.39Å; M141-C145 WeakPolarHBondContact O-CB 3.2Å; M141-C145 PolarHBondContact O-N 3.32Å; M141-C145 PolarHBondContact O-SG 3.06Å; C145-T147 PolarHBondContact O-N 2.98Å; C145-T147 VanDerWaalsContact O-N 3.08Å; C145-R148 WeakPolarHBondContact O-CB 3.49Å; C145-R148 PolarHBondContact O-N 2.93Å
146K85.8Confident81.1Confident135 Ų13568.5 Ų68.559%0.58734%0.341SS*.Hα-helixtrans-58.9-24.2-177.8175.7-167.5165.8-148.90113Y142 E144Y142-K146 HydrophobicContact CE1-CD 4.19Å; Y142-K146 WeakPolarHBondContact O-CB 3.49Å; Y142-K146 PolarHBondContact O-N 3.32Å; E144-K146 PolarHBondContact O-N 3.32Å
147T84.5Confident79.1Confident104 Ų10469.2 Ų69.264%0.63835%0.349SS*.THydrogen-bonded Turntrans-76.1-24.4177.866.30000113.1E144 C145E144-T147 PolarHBondContact O-N 3.09Å; E144-T147 PolarHBondContact O-OG1 2.95Å; C145-T147 PolarHBondContact O-N 2.98Å; C145-T147 VanDerWaalsContact O-N 3.08Å
148R84.5Confident76.8Confident121 Ų12174 Ų7446%0.45738%0.381SS..  trans-78.1122.3-174.6-60.1-66.6173.9170.3-3.2111.2L115 V116 C145L115-R148 HydrophobicContact CB-CB 4.28Å; V116-R148 HydrophobicContact CG2-CG 4.21Å; C145-R148 WeakPolarHBondContact O-CB 3.49Å; C145-R148 PolarHBondContact O-N 2.93Å
149S83.3Confident74.3Confident72 Ų7283.4 Ų83.450%0.50343%0.425SS..  trans-93.7-13.7175.744.30000114.3Y178 Q179S149-Y178 CarbonylContact O-C 3.57Å; S149-Y178 WeakPolarHBondContact O-CA 3.34Å; S149-Q179 PolarHBondContact O-N 3.2Å
150E86.1Confident71.9Confident86 Ų8686.8 Ų86.840%0.40245%0.449SS..BIsolated β-bridgetrans-136.3165.7179.567.7-126.414100111.4Y178E150-Y178 HydrophobicContact CB-CD1 3.99Å; E150-Y178 HydrophobicContact CB-CE1 4.34Å; E150-Y178 WeakPolarHBondContact OE2-CE1 3.33Å
151C84.5Confident69.5Low3 Ų391.3 Ų91.32%0.0247%0.471CS..  trans-96.4115.5177.5-176.60000109.3C108 L115 S153 C175 G176 R177C108-C151 HydrophobicContact CB-CB 4.13Å; L115-C151 HydrophobicContact CD2-CB 4.1Å; C151-S153 PolarHBondContact O-N 2.66Å; C151-C175 PolarHBondContact SG-N 3.19Å; C151-C175 VanDerWaalsContact SG-N 3.38Å; C151-G176 WeakPolarHBondContact O-CA 3.46Å; C151-G176 PolarHBondContact O-N 3.44Å; C151-R177 PolarHBondContact N-O 3.3Å; C151-R177 VanDerWaalsContact N-O 3.13Å
152I74.5Confident66.9Low58 Ų5898.5 Ų98.530%0.29751%0.509SS..  trans-46.2122.2-173.5-56.7170000111.7G174I152-G174 CarbonylContact O-C 3.5Å; I152-G174 WeakPolarHBondContact O-CA 3.34Å; I152-G174 PolarHBondContact O-N 2.81Å
153S65Low64.4Low34 Ų34105 Ų10524%0.23855%0.547CS..  trans-94.5174.6171.970.40000110.8C151 D155C151-S153 PolarHBondContact O-N 2.66Å; S153-D155 VanDerWaalsContact C-N 3.28Å; S153-D155 PolarHBondContact O-N 3.22Å
154N57.3Low61.8Low102 Ų102106.2 Ų106.255%0.54556%0.561SS.*SBendtrans-76.5-11.1179-94.90.2000113.9S173N154-S173 WeakPolarHBondContact OD1-CB 2.98Å
155D52.6Low59.6Low129 Ų129109 Ų10969%0.6959%0.587SS**  trans-84.8-13.2-164-55.7-43.1000113.9S153 Q157S153-D155 VanDerWaalsContact C-N 3.28Å; S153-D155 PolarHBondContact O-N 3.22Å; D155-Q157 VanDerWaalsContact C-N 3.26Å; D155-Q157 PolarHBondContact O-N 3.37Å; D155-Q157 VanDerWaalsContact O-N 3.08Å
156D50Low57Low123 Ų123117 Ų11766%0.65863%0.628SS**THydrogen-bonded Turntrans-78.517.5-172.4-65.7-40.1000115.6
157Q44Very low54.7Low135 Ų135115.4 Ų115.463%0.63163%0.634SS**THydrogen-bonded Turntrans-134.829.2-172.4-67.7-160.4-13.600117D155D155-Q157 VanDerWaalsContact C-N 3.26Å; D155-Q157 PolarHBondContact O-N 3.37Å; D155-Q157 VanDerWaalsContact O-N 3.08Å
158V41.1Very low52.3Low128 Ų128116.4 Ų116.478%0.77665%0.645SS**  trans-109.144.1-176.7-158.10000113.7
159Q37.8Very low50.3Low201 Ų201118 Ų11894%0.93966%0.656SS**SBendtrans-138.435.7177.5-72.5-164.1-11.200115.4
160S39.2Very low48.3Very low112 Ų112120.7 Ų120.778%0.78367%0.669SS**  trans-153.187.9163.864.90000111.4
161E38.6Very low46.5Very low182 Ų182121.7 Ų121.785%0.8567%0.672SS**  trans-78.6161.6169.9-67.1-171.6139.800111.6
162N36.3Very low45.1Very low151 Ų151127.3 Ų127.381%0.80769%0.693SS**  trans75.472.3176-53.3-31.1000117.3
163D39.4Very low44.3Very low168 Ų168126.8 Ų126.890%0.89869%0.694SS**  -152.3140.9114.5-138.6-17.8000112.4
164V37.3Very low44.7Very low131 Ų131126 Ų12679%0.79469%0.692SS**  trans-105.8107.3-168178.40000111.4
165S39.9Very low46Very low115 Ų115123.5 Ų123.580%0.80468%0.681SS**  trans-151.3137.2160.953.90000113.4
166L35.1Very low47.3Very low166 Ų166119 Ų11987%0.86967%0.666SS**  trans-71.1125.8-172.7-85.965.4000112.9
167S38.9Very low49Very low103 Ų103117.6 Ų117.672%0.7265%0.651SS**  -171.5130.9128.442.10000111.5K169S167-K169 PolarHBondContact O-N 3.18Å; S167-K169 VanDerWaalsContact O-N 3.09Å
168S34.1Very low51.1Low124 Ų124114.4 Ų114.487%0.86763%0.634SS**  trans-68.7101.1-173.951.70000112.9
169K40.5Very low53.4Low155 Ų155109.4 Ų109.467%0.67460%0.602SS**  trans-97.4105.9169.6-70.4-178.6-178173.40110.8S167 K171S167-K169 PolarHBondContact O-N 3.18Å; S167-K169 VanDerWaalsContact O-N 3.09Å; K169-K171 PolarHBondContact O-N 3.36Å
170V41.9Very low55.9Low128 Ų128100.2 Ų100.278%0.77656%0.56SS**  trans-67.2101.8170.1-178.60000108.8
171K49.3Very low58.2Low108 Ų108102.1 Ų102.147%0.4755%0.55SS..  trans-78.4138.9173.5-73.1175.3178.41670110K169 S173K169-K171 PolarHBondContact O-N 3.36Å; K171-S173 PolarHBondContact O-N 3.48Å
172R53.9Low60.7Low121 Ų12193.7 Ų93.746%0.45751%0.511SS..  trans-8199.9-178-70.1-174178.8-175.13.7110.8G174 E222 D223R172-G174 PolarHBondContact O-N 3.2Å; R172-E222 IonicContact CZ-OE2 3.34Å; R172-E222 IonicContact NH1-OE2 2.69Å; R172-E222 IonicContact NH2-OE1 3.11Å; R172-E222 IonicContact NH2-OE2 2.69Å; R172-E222 PolarHBondContact NH2-OE2 2.99Å; R172-D223 IonicContact NH1-OD1 2.62Å; R172-D223 PolarHBondContact NH1-OD1 3.31Å
173S59.1Low63.3Low46 Ų4693.1 Ų93.132%0.32250%0.497SS..  trans-64.5128.7173.9-173.80000112.3K113 N154 K171K113-S173 PolarHBondContact NZ-O 3.44Å; N154-S173 WeakPolarHBondContact OD1-CB 2.98Å; K171-S173 PolarHBondContact O-N 3.48Å
174G71.9Confident65.6Low19 Ų1990 Ų9020%0.19647%0.473CS..  trans-82.3-159.6163.200000111.9I152 R172I152-G174 CarbonylContact O-C 3.5Å; I152-G174 WeakPolarHBondContact O-CA 3.34Å; I152-G174 PolarHBondContact O-N 2.81Å; R172-G174 PolarHBondContact O-N 3.2Å
175C85.5Confident67.9Low48 Ų4888.3 Ų88.332%0.32446%0.459SS..  trans-121.613-172.176.80000115.9C111 C151 R177C111-C175 HydrophobicContact CB-CB 4.09Å; C111-C175 VanDerWaalsContact SG-SG 3.65Å; C151-C175 PolarHBondContact SG-N 3.19Å; C151-C175 VanDerWaalsContact SG-N 3.38Å; C175-R177 PolarHBondContact O-N 3.16Å
176G79.6Confident69.9Low36 Ų3684.7 Ų84.737%0.37144%0.44SS..  trans72.2-24.7176.100000116.9C151C151-G176 WeakPolarHBondContact O-CA 3.46Å; C151-G176 PolarHBondContact O-N 3.44Å
177R85.7Confident72.3Confident93 Ų9377.8 Ų77.835%0.35140%0.404SS..PPolyproline II helixtrans-65.8140.2-168.6-65.7178.1-178.8-126.4-10.1114.3Y110 C151 C175 Q179 N197 E198Y110-R177 HydrophobicContact CD2-CB 3.63Å; Y110-R177 HydrophobicContact CD2-CG 4.21Å; Y110-R177 HydrophobicContact CE2-CB 3.86Å; Y110-R177 HydrophobicContact CG-CB 4.43Å; Y110-R177 VanDerWaalsContact CG-CD 3.46Å; C151-R177 PolarHBondContact N-O 3.3Å; C151-R177 VanDerWaalsContact N-O 3.13Å; C175-R177 PolarHBondContact O-N 3.16Å; R177-Q179 PolarHBondContact O-NE2 3.29Å; R177-N197 WeakPolarHBondContact CA-OD1 3.29Å; R177-E198 IonicContact CZ-OE1 3.36Å; R177-E198 IonicContact NH1-OE1 3.79Å; R177-E198 PolarHBondContact NH1-OE1 2.86Å; R177-E198 VanDerWaalsContact NH1-OE1 3.1Å; R177-E198 IonicContact NH2-OE1 3.57Å; R177-E198 PolarHBondContact NH2-OE1 2.82Å
178Y88.4Confident74.6Confident67 Ų6776.4 Ų76.426%0.26339%0.386SS..BIsolated β-bridgetrans-64.4139.7171.1-64-59.2000112.8S149 E150 W193 K195 N197S149-Y178 CarbonylContact O-C 3.57Å; S149-Y178 WeakPolarHBondContact O-CA 3.34Å; E150-Y178 HydrophobicContact CB-CD1 3.99Å; E150-Y178 HydrophobicContact CB-CE1 4.34Å; E150-Y178 WeakPolarHBondContact OE2-CE1 3.33Å; Y178-W193 PolarHBondContact O-NE1 3.22Å; Y178-K195 HydrophobicContact CD1-CB 4.26Å; Y178-K195 HydrophobicContact CD1-CD 4.37Å; Y178-K195 HydrophobicContact CD2-CB 3.72Å; Y178-K195 HydrophobicContact CE1-CB 4.36Å; Y178-K195 HydrophobicContact CE1-CD 3.76Å; Y178-K195 HydrophobicContact CE2-CB 3.83Å; Y178-K195 HydrophobicContact CE2-CD 4.1Å; Y178-K195 HydrophobicContact CG-CB 3.96Å; Y178-N197 WeakPolarHBondContact CB-OD1 3.43Å; Y178-N197 WeakPolarHBondContact CD2-OD1 3.37Å; Y178-N197 PolarHBondContact N-OD1 3.08Å; Y178-N197 PolarHBondContact O-ND2 3.2Å
179Q89Confident77.3Confident23 Ų2370.5 Ų70.511%0.10735%0.345CS..PPolyproline II helixtrans-97.8140.8-174.7-58.1-54.3-50.600112.9C108 L115 S149 R177C108-Q179 PolarHBondContact SG-NE2 3.39Å; L115-Q179 HydrophobicContact CD1-CG 4.06Å; L115-Q179 HydrophobicContact CD2-CG 3.81Å; S149-Q179 PolarHBondContact O-N 3.2Å; R177-Q179 PolarHBondContact O-NE2 3.29Å
180P89.7Confident79.8Confident9 Ų963.4 Ų63.46%0.05832%0.315CS..PPolyproline II helixtrans-75.1153.417627.7-31.1000113.2F109 F182 A191 W193F109-P180 HydrophobicContact CB-CG 4.31Å; F109-P180 HydrophobicContact CG-CG 4.26Å; P180-F182 HydrophobicContact CG-CE1 3.91Å; P180-F182 HydrophobicContact CG-CE2 3.97Å; P180-F182 HydrophobicContact CG-CZ 3.56Å; P180-A191 HydrophobicContact CB-CB 3.65Å; P180-A191 HydrophobicContact CG-CB 4.03Å; P180-W193 HydrophobicContact CB-CD2 3.77Å; P180-W193 VanDerWaalsContact CB-CE2 3.5Å; P180-W193 HydrophobicContact CB-CE3 4.16Å; P180-W193 HydrophobicContact CB-CG 4.34Å; P180-W193 HydrophobicContact CB-CH2 4.04Å; P180-W193 HydrophobicContact CB-CZ2 3.65Å; P180-W193 HydrophobicContact CB-CZ3 4.29Å; P180-W193 HydrophobicContact CG-CH2 4.15Å; P180-W193 HydrophobicContact CG-CZ2 3.55Å
181R89.2Confident82.1Confident151 Ų15157.3 Ų57.357%0.5728%0.278SS*.EExtended strand (participates in β ladder)trans-86.2111.1163.6-69.7-175.2167.7-154-7109.8E192R181-E192 PolarHBondContact N-O 2.67Å; R181-E192 PolarHBondContact O-N 2.88Å
182F91Very high84.1Confident5 Ų555 Ų552%0.02227%0.269CS..EExtended strand (participates in β ladder)trans-79.6124.8177.7-55.6-86.2000112.4M101 L104 R105 F109 P180 T190 A191 L207M101-F182 HydrophobicContact CE-CB 4.49Å; L104-F182 HydrophobicContact CB-CD1 4.33Å; L104-F182 HydrophobicContact CB-CD2 4.19Å; L104-F182 HydrophobicContact CB-CE1 4.08Å; L104-F182 HydrophobicContact CB-CE2 3.94Å; L104-F182 HydrophobicContact CB-CG 4.37Å; L104-F182 HydrophobicContact CB-CZ 3.85Å; L104-F182 HydrophobicContact CD1-CD1 4.1Å; L104-F182 HydrophobicContact CD1-CE1 4.05Å; L104-F182 HydrophobicContact CD2-CE1 4.13Å; L104-F182 HydrophobicContact CD2-CZ 4.15Å; L104-F182 HydrophobicContact CG-CE1 4.33Å; L104-F182 HydrophobicContact CG-CZ 4.44Å; L104-F182 WeakPolarHBondContact O-CE2 3.49Å; L104-F182 WeakPolarHBondContact O-CZ 3.28Å; R105-F182 HydrophobicContact CG-CD2 3.7Å; R105-F182 HydrophobicContact CG-CE2 4.34Å; R105-F182 PolarHBondContact NH2-O 3.08Å; F109-F182 HydrophobicContact CD2-CE1 4.14Å; F109-F182 HydrophobicContact CD2-CZ 4.06Å; F109-F182 HydrophobicContact CE2-CE1 4.42Å; P180-F182 HydrophobicContact CG-CE1 3.91Å; P180-F182 HydrophobicContact CG-CE2 3.97Å; P180-F182 HydrophobicContact CG-CZ 3.56Å; F182-T190 CarbonylContact C-O 3.43Å; F182-T190 VanDerWaalsContact CA-O 3.29Å; F182-T190 WeakPolarHBondContact CA-O 3.27Å; F182-A191 HydrophobicContact CD1-CB 4.25Å; F182-A191 HydrophobicContact CE1-CB 4.29Å; F182-L207 HydrophobicContact CD1-CD1 3.5Å; F182-L207 VanDerWaalsContact CD1-CD1 3.5Å; F182-L207 HydrophobicContact CE1-CD1 3.64Å
183R89.9Confident85.8Confident139 Ų13949.7 Ų49.753%0.52525%0.249SC..EExtended strand (participates in β ladder)trans-120.1155.4172.1-50.2-171.3-168.3-153.611.6111.2L189 T190 E192R183-L189 WeakPolarHBondContact O-CA 3.39Å; R183-T190 PolarHBondContact N-O 3.49Å; R183-T190 PolarHBondContact O-N 3.32Å; R183-T190 PolarHBondContact O-OG1 2.7Å; R183-E192 IonicContact CZ-OE2 2.85Å; R183-E192 IonicContact NE-OE2 2.83Å; R183-E192 PolarHBondContact NE-OE2 2.9Å; R183-E192 VanDerWaalsContact NH2-CD 3.29Å; R183-E192 IonicContact NH2-OE1 3.23Å; R183-E192 PolarHBondContact NH2-OE1 3.03Å; R183-E192 IonicContact NH2-OE2 3.41Å; R183-E192 PolarHBondContact NH2-OE2 2.97Å
184R87.6Confident87Confident102 Ų10255 Ų5539%0.38527%0.266SS..EExtended strand (participates in β ladder)trans-119125178.4-176.6-171.676.4141.57.3111.4L97 M101 E188 L189L97-R184 HydrophobicContact CD2-CG 4.5Å; M101-R184 HydrophobicContact CE-CB 3.87Å; M101-R184 HydrophobicContact SD-CB 3.69Å; M101-R184 HydrophobicContact SD-CG 4.44Å; R184-E188 WeakPolarHBondContact CA-O 3.31Å; R184-L189 HydrophobicContact CB-CD2 3.8Å; R184-L189 HydrophobicContact CG-CD2 3.97Å
185N85.1Confident87.4Confident96 Ų9660.3 Ų60.351%0.51328%0.284SS..EExtended strand (participates in β ladder)trans-117.7100.4174.6-69.2-0.2000108.8L187 E188N185-L187 PolarHBondContact O-N 3.49Å; N185-E188 PolarHBondContact N-O 3.02Å; N185-E188 PolarHBondContact O-N 3.43Å
186G83.5Confident87.1Confident39 Ų3960.2 Ų60.240%0.40228%0.281SS..THydrogen-bonded Turntrans61.3-109.3-174.100000112.1
187L85.4Confident87Confident22 Ų2260.6 Ų60.612%0.11528%0.275CS..THydrogen-bonded Turntrans-95.2-14.8176.4-66.6169.4000113.6I94 N185 Q302 T306 L316I94-L187 HydrophobicContact CD1-CD2 4.11Å; N185-L187 PolarHBondContact O-N 3.49Å; L187-Q302 HydrophobicContact CB-CG 4.25Å; L187-Q302 HydrophobicContact CD1-CG 4.16Å; L187-T306 HydrophobicContact CD2-CG2 3.96Å; L187-L316 HydrophobicContact CD1-CD1 3.73Å; L187-L316 HydrophobicContact CD1-CD2 3.87Å; L187-L316 HydrophobicContact CD1-CG 4.48Å; L187-L316 HydrophobicContact CD2-CD1 3.89Å; L187-L316 HydrophobicContact CG-CD1 3.8Å; L187-L316 HydrophobicContact CG-CD2 4.1Å
188E86.6Confident86.7Confident73 Ų7360.4 Ų60.434%0.34128%0.278SS..EExtended strand (participates in β ladder)trans-91.7144.4-174.4-67.2164-156.300111.3R184 N185 K299R184-E188 WeakPolarHBondContact CA-O 3.31Å; N185-E188 PolarHBondContact N-O 3.02Å; N185-E188 PolarHBondContact O-N 3.43Å; E188-K299 VanDerWaalsContact OE1-CE 3.3Å; E188-K299 WeakPolarHBondContact OE1-CE 3.49Å; E188-K299 IonicContact OE1-NZ 3.86Å; E188-K299 PolarHBondContact OE1-NZ 3.14Å
189L90.8Very high86Confident1 Ų167.3 Ų67.31%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-108.7142.9171.9-67.8-178.6000109.8F92 L97 M101 R183 R184 L207F92-L189 HydrophobicContact CE1-CD1 4.02Å; F92-L189 HydrophobicContact CE2-CD1 4.34Å; F92-L189 HydrophobicContact CE2-CG 4.49Å; F92-L189 HydrophobicContact CZ-CD1 3.81Å; F92-L189 HydrophobicContact CZ-CG 4.4Å; L97-L189 HydrophobicContact CD1-CD1 3.85Å; L97-L189 HydrophobicContact CD1-CD2 4.15Å; L97-L189 HydrophobicContact CD1-CG 4.05Å; M101-L189 HydrophobicContact CE-CD2 4.06Å; M101-L189 HydrophobicContact CG-CD1 4.36Å; M101-L189 HydrophobicContact CG-CD2 3.66Å; M101-L189 HydrophobicContact SD-CD2 3.71Å; R183-L189 WeakPolarHBondContact O-CA 3.39Å; R184-L189 HydrophobicContact CB-CD2 3.8Å; R184-L189 HydrophobicContact CG-CD2 3.97Å; L189-L207 HydrophobicContact CB-CB 4.08Å; L189-L207 HydrophobicContact CB-CD1 4.36Å; L189-L207 PolarHBondContact O-N 3.04Å
190T91.9Very high85.4Confident6 Ų671.2 Ų71.24%0.03734%0.343CS..EExtended strand (participates in β ladder)trans-129.2140.4177.156.60000110.2F182 R183 I205 N206F182-T190 CarbonylContact C-O 3.43Å; F182-T190 VanDerWaalsContact CA-O 3.29Å; F182-T190 WeakPolarHBondContact CA-O 3.27Å; R183-T190 PolarHBondContact N-O 3.49Å; R183-T190 PolarHBondContact O-N 3.32Å; R183-T190 PolarHBondContact O-OG1 2.7Å; T190-I205 CarbonylContact C-O 3.31Å; T190-I205 VanDerWaalsContact CA-O 3.3Å; T190-I205 WeakPolarHBondContact CA-O 3.37Å; T190-N206 WeakPolarHBondContact CG2-OD1 3.48Å
191A90.9Very high84.7Confident0 Ų072.4 Ų72.40%035%0.347CS..EExtended strand (participates in β ladder)trans-111.4127.2174.400000109.5P180 F182 W193 K204 I205 L207P180-A191 HydrophobicContact CB-CB 3.65Å; P180-A191 HydrophobicContact CG-CB 4.03Å; F182-A191 HydrophobicContact CD1-CB 4.25Å; F182-A191 HydrophobicContact CE1-CB 4.29Å; A191-W193 HydrophobicContact CB-CH2 3.94Å; A191-W193 HydrophobicContact CB-CZ3 3.93Å; A191-K204 CarbonylContact O-C 3.52Å; A191-K204 VanDerWaalsContact O-CA 3.28Å; A191-K204 WeakPolarHBondContact O-CA 3.41Å; A191-I205 HydrophobicContact CB-CD1 4.49Å; A191-I205 HydrophobicContact CB-CG1 3.95Å; A191-I205 PolarHBondContact N-O 3.03Å; A191-I205 PolarHBondContact O-N 3.4Å; A191-L207 HydrophobicContact CB-CD1 3.88Å; A191-L207 HydrophobicContact CB-CD2 4.18Å; A191-L207 HydrophobicContact CB-CG 4Å
192E90.8Very high84.1Confident59 Ų5971.7 Ų71.728%0.27635%0.35SS..EExtended strand (participates in β ladder)trans-125.8118.6-174.2179.9-168.6-172.200110.6R181 R183 R203R181-E192 PolarHBondContact N-O 2.67Å; R181-E192 PolarHBondContact O-N 2.88Å; R183-E192 IonicContact CZ-OE2 2.85Å; R183-E192 IonicContact NE-OE2 2.83Å; R183-E192 PolarHBondContact NE-OE2 2.9Å; R183-E192 VanDerWaalsContact NH2-CD 3.29Å; R183-E192 IonicContact NH2-OE1 3.23Å; R183-E192 PolarHBondContact NH2-OE1 3.03Å; R183-E192 IonicContact NH2-OE2 3.41Å; R183-E192 PolarHBondContact NH2-OE2 2.97Å; E192-R203 CarbonylContact C-O 3.59Å; E192-R203 VanDerWaalsContact CA-O 3.31Å; E192-R203 WeakPolarHBondContact CA-O 3.38Å
193W89.4Confident83.8Confident10 Ų1080.4 Ų80.44%0.03838%0.383CS..  trans-92.3131.8177.8-76.1-96.4000111.6F109 Y110 Y178 P180 A191 R203 I205F109-W193 HydrophobicContact CD1-CH2 4.3Å; F109-W193 AromaticContact CD1-CZ2 3.85Å; F109-W193 HydrophobicContact CD1-CZ2 3.85Å; F109-W193 AromaticContact CE1-CH2 3.96Å; F109-W193 HydrophobicContact CE1-CH2 3.96Å; F109-W193 AromaticContact CE1-CZ2 3.98Å; F109-W193 HydrophobicContact CE1-CZ2 3.98Å; Y110-W193 WeakPolarHBondContact OH-CZ2 3.19Å; Y178-W193 PolarHBondContact O-NE1 3.22Å; P180-W193 HydrophobicContact CB-CD2 3.77Å; P180-W193 VanDerWaalsContact CB-CE2 3.5Å; P180-W193 HydrophobicContact CB-CE3 4.16Å; P180-W193 HydrophobicContact CB-CG 4.34Å; P180-W193 HydrophobicContact CB-CH2 4.04Å; P180-W193 HydrophobicContact CB-CZ2 3.65Å; P180-W193 HydrophobicContact CB-CZ3 4.29Å; P180-W193 HydrophobicContact CG-CH2 4.15Å; P180-W193 HydrophobicContact CG-CZ2 3.55Å; A191-W193 HydrophobicContact CB-CH2 3.94Å; A191-W193 HydrophobicContact CB-CZ3 3.93Å; W193-R203 PolarHBondContact N-O 3.32Å; W193-I205 HydrophobicContact CH2-CD1 3.71Å; W193-I205 HydrophobicContact CH2-CG1 4.16Å; W193-I205 HydrophobicContact CZ3-CD1 3.87Å; W193-I205 HydrophobicContact CZ3-CG1 3.87Å; W193-I205 HydrophobicContact CZ3-CG2 4.29Å
194K84.4Confident83.7Confident158 Ų15879.5 Ų79.569%0.68738%0.383SS*.SBendtrans-81.1-47.8170.2-83-165.8163.7-156.80112.1
195K80.5Confident83.8Confident130 Ų13076.9 Ų76.957%0.56538%0.376SS*.SBendtrans-110.4133.7169-66.7-174.8178.2-176.70106.9Y178Y178-K195 HydrophobicContact CD1-CB 4.26Å; Y178-K195 HydrophobicContact CD1-CD 4.37Å; Y178-K195 HydrophobicContact CD2-CB 3.72Å; Y178-K195 HydrophobicContact CE1-CB 4.36Å; Y178-K195 HydrophobicContact CE1-CD 3.76Å; Y178-K195 HydrophobicContact CE2-CB 3.83Å; Y178-K195 HydrophobicContact CE2-CD 4.1Å; Y178-K195 HydrophobicContact CG-CB 3.96Å
196V79.2Confident83.9Confident46 Ų4677.4 Ų77.428%0.27938%0.379SS..  trans-93.3146.1-178.5-162.70000108.1E198 Q201 R203V196-E198 WeakPolarHBondContact CG1-O 3.49Å; V196-Q201 HydrophobicContact CG1-CB 3.55Å; V196-Q201 HydrophobicContact CG1-CG 3.96Å; V196-Q201 WeakPolarHBondContact CG1-O 3.15Å; V196-R203 HydrophobicContact CG2-CG 4.03Å
197N79Confident84.2Confident44 Ų4476.1 Ų76.124%0.23536%0.363CS..SBendtrans-83.1-34179.4-64.2-66.9000112.7Y110 R177 Y178 Q201Y110-N197 PolarHBondContact OH-ND2 3.28Å; R177-N197 WeakPolarHBondContact CA-OD1 3.29Å; Y178-N197 WeakPolarHBondContact CB-OD1 3.43Å; Y178-N197 WeakPolarHBondContact CD2-OD1 3.37Å; Y178-N197 PolarHBondContact N-OD1 3.08Å; Y178-N197 PolarHBondContact O-ND2 3.2Å; N197-Q201 VanDerWaalsContact N-OE1 3.14Å; N197-Q201 PolarHBondContact ND2-OE1 2.79Å
198E79Confident84.4Confident89 Ų8978.9 Ų78.942%0.41638%0.381SS..SBendtrans-139.6135.9-172.8-64.2165-151.500106.5R177 V196 S200 Q201R177-E198 IonicContact CZ-OE1 3.36Å; R177-E198 IonicContact NH1-OE1 3.79Å; R177-E198 PolarHBondContact NH1-OE1 2.86Å; R177-E198 VanDerWaalsContact NH1-OE1 3.1Å; R177-E198 IonicContact NH2-OE1 3.57Å; R177-E198 PolarHBondContact NH2-OE1 2.82Å; V196-E198 WeakPolarHBondContact CG1-O 3.49Å; E198-S200 PolarHBondContact O-N 3.25Å; E198-S200 VanDerWaalsContact O-N 3.09Å; E198-Q201 WeakPolarHBondContact O-CB 3.38Å; E198-Q201 PolarHBondContact O-N 3.36Å
199E72.3Confident84.7Confident212 Ų21275.8 Ų75.899%0.99137%0.367SS*.THydrogen-bonded Turntrans-61.7-23.2-174-64.6-171.3146.300113.9Q201E199-Q201 VanDerWaalsContact C-N 3.29Å; E199-Q201 PolarHBondContact O-N 3.43Å
200S77.6Confident84.8Confident105 Ų10580 Ų8073%0.73439%0.387SS*.THydrogen-bonded Turntrans-73.1-13.117554.30000114.6E198E198-S200 PolarHBondContact O-N 3.25Å; E198-S200 VanDerWaalsContact O-N 3.09Å
201Q74.1Confident84.8Confident34 Ų3483.8 Ų83.816%0.15940%0.401CS..SBendtrans-84.6123.2-172.1176.1-162.9-6.500111.6Y110 V196 N197 E198 E199 R203Y110-Q201 PolarHBondContact OH-NE2 2.83Å; V196-Q201 HydrophobicContact CG1-CB 3.55Å; V196-Q201 HydrophobicContact CG1-CG 3.96Å; V196-Q201 WeakPolarHBondContact CG1-O 3.15Å; N197-Q201 VanDerWaalsContact N-OE1 3.14Å; N197-Q201 PolarHBondContact ND2-OE1 2.79Å; E198-Q201 WeakPolarHBondContact O-CB 3.38Å; E198-Q201 PolarHBondContact O-N 3.36Å; E199-Q201 VanDerWaalsContact C-N 3.29Å; E199-Q201 PolarHBondContact O-N 3.43Å; Q201-R203 PolarHBondContact O-N 2.59Å
202E77.6Confident85Confident135 Ų13583.8 Ų83.863%0.63140%0.401SS*.  trans-57.4132.5175-68.2-172.8164.400112.6K204 I205E202-K204 PolarHBondContact O-N 2.92Å; E202-I205 HydrophobicContact CB-CG2 3.96Å
203R84Confident85.1Confident188 Ų18881.9 Ų81.971%0.70939%0.392SS*.SBendtrans-63.3-24.2178.7-69.7-173.1179.5-173.30.5113.6E192 W193 V196 Q201E192-R203 CarbonylContact C-O 3.59Å; E192-R203 VanDerWaalsContact CA-O 3.31Å; E192-R203 WeakPolarHBondContact CA-O 3.38Å; W193-R203 PolarHBondContact N-O 3.32Å; V196-R203 HydrophobicContact CG2-CG 4.03Å; Q201-R203 PolarHBondContact O-N 2.59Å
204K88.9Confident85.3Confident121 Ų12185.1 Ų85.153%0.52641%0.408SS..EExtended strand (participates in β ladder)trans-146.3117.7-177.8-177.5-167.4172-164.10111A191 E202A191-K204 CarbonylContact O-C 3.52Å; A191-K204 VanDerWaalsContact O-CA 3.28Å; A191-K204 WeakPolarHBondContact O-CA 3.41Å; E202-K204 PolarHBondContact O-N 2.92Å
205I89.3Confident85.8Confident46 Ų4677.8 Ų77.824%0.23638%0.376CS..EExtended strand (participates in β ladder)trans-116.1151.5175.772.8-178.7000111.6F109 T190 A191 W193 E202 L207F109-I205 HydrophobicContact CZ-CD1 4.42Å; T190-I205 CarbonylContact C-O 3.31Å; T190-I205 VanDerWaalsContact CA-O 3.3Å; T190-I205 WeakPolarHBondContact CA-O 3.37Å; A191-I205 HydrophobicContact CB-CD1 4.49Å; A191-I205 HydrophobicContact CB-CG1 3.95Å; A191-I205 PolarHBondContact N-O 3.03Å; A191-I205 PolarHBondContact O-N 3.4Å; W193-I205 HydrophobicContact CH2-CD1 3.71Å; W193-I205 HydrophobicContact CH2-CG1 4.16Å; W193-I205 HydrophobicContact CZ3-CD1 3.87Å; W193-I205 HydrophobicContact CZ3-CG1 3.87Å; W193-I205 HydrophobicContact CZ3-CG2 4.29Å; E202-I205 HydrophobicContact CB-CG2 3.96Å; I205-L207 HydrophobicContact CD1-CD2 4Å; I205-L207 HydrophobicContact CG1-CD2 4.24Å
206N87.5Confident86.5Confident108 Ų10871.7 Ų71.758%0.57835%0.35SS*.EExtended strand (participates in β ladder)trans-84129.4165.3-69.5-6.3000108.9T190T190-N206 WeakPolarHBondContact CG2-OD1 3.48Å
207L88.6Confident87.1Confident11 Ų1175.4 Ų75.46%0.05836%0.362CS..EExtended strand (participates in β ladder)trans-91.4117.1-178.7-70.4172.1000111F109 F182 L189 A191 I205 V212F109-L207 HydrophobicContact CE2-CD2 3.72Å; F109-L207 HydrophobicContact CZ-CD2 3.66Å; F182-L207 HydrophobicContact CD1-CD1 3.5Å; F182-L207 VanDerWaalsContact CD1-CD1 3.5Å; F182-L207 HydrophobicContact CE1-CD1 3.64Å; L189-L207 HydrophobicContact CB-CB 4.08Å; L189-L207 HydrophobicContact CB-CD1 4.36Å; L189-L207 PolarHBondContact O-N 3.04Å; A191-L207 HydrophobicContact CB-CD1 3.88Å; A191-L207 HydrophobicContact CB-CD2 4.18Å; A191-L207 HydrophobicContact CB-CG 4Å; I205-L207 HydrophobicContact CD1-CD2 4Å; I205-L207 HydrophobicContact CG1-CD2 4.24Å; L207-V212 HydrophobicContact CB-CG2 4.49Å
208T91Very high87.7Confident80 Ų8080.6 Ų80.649%0.49138%0.378SS..PPolyproline II helixtrans-71.9152168620000110.8E210 R211 V212T208-E210 PolarHBondContact O-N 3.07Å; T208-R211 PolarHBondContact O-N 3.13Å; T208-R211 WeakPolarHBondContact OG1-CB 3.39Å; T208-R211 PolarHBondContact OG1-N 2.96Å; T208-V212 PolarHBondContact O-N 3.07Å
209A92Very high88.4Confident8 Ų876.6 Ų76.67%0.06636%0.36CS..Hα-helixtrans-62.9-34174.800000112.1P90 F92 R211 V212 L213 I240P90-A209 HydrophobicContact CB-CB 4.22Å; P90-A209 WeakPolarHBondContact O-CB 3.45Å; F92-A209 HydrophobicContact CD1-CB 4Å; F92-A209 HydrophobicContact CD2-CB 4.03Å; F92-A209 HydrophobicContact CE1-CB 3.85Å; F92-A209 HydrophobicContact CE2-CB 3.88Å; F92-A209 HydrophobicContact CG-CB 4.09Å; F92-A209 VanDerWaalsContact CZ-CA 3.41Å; F92-A209 HydrophobicContact CZ-CB 3.79Å; A209-R211 PolarHBondContact O-N 3.34Å; A209-V212 PolarHBondContact O-N 2.79Å; A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 PolarHBondContact O-N 3.37Å; A209-I240 HydrophobicContact CB-CG2 4.14Å
210E92.9Very high89.3Confident89 Ų8968.5 Ų68.542%0.41633%0.327SS..Hα-helixtrans-55.8-47.9172.1-174165.4-147.700112.1K89 P90 T208 V212 L213 E214K89-E210 IonicContact NZ-OE2 3.77Å; P90-E210 HydrophobicContact CG-CB 4.17Å; T208-E210 PolarHBondContact O-N 3.07Å; E210-V212 VanDerWaalsContact C-N 3.33Å; E210-V212 PolarHBondContact O-N 2.99Å; E210-L213 WeakPolarHBondContact O-CB 3.37Å; E210-L213 PolarHBondContact O-N 3.5Å; E210-L213 VanDerWaalsContact O-N 3.15Å; E210-E214 PolarHBondContact O-N 2.84Å
211R92.2Very high89.9Confident86 Ų8666.9 Ų66.933%0.32531%0.31SS..Hα-helixtrans-65.1-34.7178.3-175.552.6174.1-164-5.9113.1F109 T208 A209 E214 V215F109-R211 HydrophobicContact CE2-CG 4.48Å; F109-R211 HydrophobicContact CZ-CG 4.16Å; T208-R211 PolarHBondContact O-N 3.13Å; T208-R211 WeakPolarHBondContact OG1-CB 3.39Å; T208-R211 PolarHBondContact OG1-N 2.96Å; A209-R211 PolarHBondContact O-N 3.34Å; R211-E214 WeakPolarHBondContact CD-OE2 3.45Å; R211-E214 IonicContact CZ-OE2 2.64Å; R211-E214 IonicContact NE-OE2 3.49Å; R211-E214 IonicContact NH1-OE2 3Å; R211-E214 PolarHBondContact NH1-OE2 2.72Å; R211-V215 WeakPolarHBondContact O-CG2 3.14Å; R211-V215 PolarHBondContact O-N 2.82Å
212V94Very high90.6Very high0 Ų070.7 Ų70.70%033%0.328CS..Hα-helixtrans-70.2-36.9175.4-176.70000110.9F92 T100 L104 L207 T208 A209 E210 V215 F216 I240F92-V212 HydrophobicContact CE1-CB 4.14Å; F92-V212 HydrophobicContact CE1-CG2 3.95Å; F92-V212 HydrophobicContact CZ-CG2 3.98Å; T100-V212 HydrophobicContact CG2-CG1 3.74Å; L104-V212 HydrophobicContact CD1-CG1 3.95Å; L104-V212 HydrophobicContact CD1-CG2 4.03Å; L104-V212 HydrophobicContact CD2-CG1 4.13Å; L104-V212 HydrophobicContact CG-CG1 4.16Å; L207-V212 HydrophobicContact CB-CG2 4.49Å; T208-V212 PolarHBondContact O-N 3.07Å; A209-V212 PolarHBondContact O-N 2.79Å; E210-V212 VanDerWaalsContact C-N 3.33Å; E210-V212 PolarHBondContact O-N 2.99Å; V212-V215 PolarHBondContact O-N 2.86Å; V212-F216 HydrophobicContact CG1-CD1 4.5Å; V212-F216 HydrophobicContact CG1-CD2 4.11Å; V212-F216 HydrophobicContact CG1-CE1 4.12Å; V212-F216 HydrophobicContact CG1-CE2 3.72Å; V212-F216 HydrophobicContact CG1-CZ 3.72Å; V212-F216 WeakPolarHBondContact O-CG 3.33Å; V212-F216 PolarHBondContact O-N 3.49Å; V212-I240 HydrophobicContact CB-CD1 3.9Å; V212-I240 HydrophobicContact CG1-CD1 3.8Å
213L94.2Very high91.2Very high19 Ų1964.6 Ų64.610%0.09930%0.299CS..Hα-helixtrans-62.6-41.9175.7-176.367.2000111.8P90 A209 E210 V215 F216 K217 D237 I240 T242P90-L213 HydrophobicContact CB-CD2 4.33Å; P90-L213 HydrophobicContact CG-CD2 4.02Å; A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 PolarHBondContact O-N 3.37Å; E210-L213 WeakPolarHBondContact O-CB 3.37Å; E210-L213 PolarHBondContact O-N 3.5Å; E210-L213 VanDerWaalsContact O-N 3.15Å; L213-V215 PolarHBondContact O-N 3.26Å; L213-F216 PolarHBondContact O-N 3.13Å; L213-K217 HydrophobicContact CD1-CG 4.43Å; L213-K217 HydrophobicContact CG-CD 4.27Å; L213-K217 WeakPolarHBondContact O-CB 3.46Å; L213-K217 WeakPolarHBondContact O-CG 3.43Å; L213-K217 PolarHBondContact O-N 2.83Å; L213-D237 HydrophobicContact CD1-CB 3.84Å; L213-D237 WeakPolarHBondContact CD1-O 3.27Å; L213-I240 HydrophobicContact CB-CD1 3.84Å; L213-I240 HydrophobicContact CD1-CB 4.27Å; L213-I240 HydrophobicContact CD1-CD1 4.31Å; L213-T242 HydrophobicContact CD2-CG2 3.73Å
214E94Very high91.6Very high78 Ų7855.7 Ų55.736%0.36427%0.266SS..Hα-helixtrans-58.4-45.1173.4-68-175.7141.400112.6E210 R211 R218E210-E214 PolarHBondContact O-N 2.84Å; R211-E214 WeakPolarHBondContact CD-OE2 3.45Å; R211-E214 IonicContact CZ-OE2 2.64Å; R211-E214 IonicContact NE-OE2 3.49Å; R211-E214 IonicContact NH1-OE2 3Å; R211-E214 PolarHBondContact NH1-OE2 2.72Å; E214-R218 WeakPolarHBondContact O-CG 3.47Å; E214-R218 PolarHBondContact O-N 2.87Å
215V93.6Very high91.6Very high4 Ų454 Ų542%0.02426%0.263CS..Hα-helixtrans-63.9-44.1179.9172.80000110.6L104 V107 F109 S112 R211 V212 L213 R218L104-V215 HydrophobicContact CD2-CG1 4.32Å; V107-V215 HydrophobicContact CG2-CG1 4.1Å; F109-V215 HydrophobicContact CD2-CG2 4.2Å; F109-V215 HydrophobicContact CE2-CG2 4.28Å; S112-V215 WeakPolarHBondContact CB-O 3.14Å; S112-V215 PolarHBondContact OG-O 3.49Å; R211-V215 WeakPolarHBondContact O-CG2 3.14Å; R211-V215 PolarHBondContact O-N 2.82Å; V212-V215 PolarHBondContact O-N 2.86Å; L213-V215 PolarHBondContact O-N 3.26Å; V215-R218 PolarHBondContact O-N 3.4Å
216F94.6Very high91.5Very high2 Ų252.7 Ų52.71%0.00926%0.257CS..Hα-helixtrans-70.7-38.7179.7-68.3-7.7000113T100 V103 L104 V212 L213 R218 M219 P236 D237 M239 I240T100-F216 HydrophobicContact CG2-CE2 3.72Å; T100-F216 HydrophobicContact CG2-CZ 3.81Å; V103-F216 HydrophobicContact CB-CE1 3.95Å; V103-F216 HydrophobicContact CB-CZ 3.84Å; V103-F216 HydrophobicContact CG1-CD1 4.13Å; V103-F216 HydrophobicContact CG1-CE1 3.53Å; V103-F216 HydrophobicContact CG1-CZ 3.88Å; L104-F216 HydrophobicContact CD2-CE1 4Å; L104-F216 HydrophobicContact CG-CE1 3.95Å; L104-F216 HydrophobicContact CG-CZ 4.04Å; V212-F216 HydrophobicContact CG1-CD1 4.5Å; V212-F216 HydrophobicContact CG1-CD2 4.11Å; V212-F216 HydrophobicContact CG1-CE1 4.12Å; V212-F216 HydrophobicContact CG1-CE2 3.72Å; V212-F216 HydrophobicContact CG1-CZ 3.72Å; V212-F216 WeakPolarHBondContact O-CG 3.33Å; V212-F216 PolarHBondContact O-N 3.49Å; L213-F216 PolarHBondContact O-N 3.13Å; F216-R218 PolarHBondContact O-N 2.75Å; F216-M219 HydrophobicContact CB-SD 4.47Å; F216-M219 HydrophobicContact CD1-SD 3.85Å; F216-M219 HydrophobicContact CG-SD 4.42Å; F216-M219 WeakPolarHBondContact O-CB 3.32Å; F216-M219 PolarHBondContact O-N 3.4Å; F216-P236 HydrophobicContact CB-CB 4.39Å; F216-P236 HydrophobicContact CD2-CB 4.12Å; F216-P236 WeakPolarHBondContact CD2-O 3.21Å; F216-P236 HydrophobicContact CG-CB 4.18Å; F216-D237 HydrophobicContact CB-CB 3.9Å; F216-M239 HydrophobicContact CE2-CE 3.86Å; F216-M239 HydrophobicContact CZ-CE 4.44Å; F216-I240 HydrophobicContact CD2-CD1 4.23Å
217K92.9Very high91.5Very high124 Ų12447.5 Ų47.554%0.53923%0.229SC..Hα-helixtrans-61.9-23.6175.2-79.6-175.7171.5-169.60114L213 D237L213-K217 HydrophobicContact CD1-CG 4.43Å; L213-K217 HydrophobicContact CG-CD 4.27Å; L213-K217 WeakPolarHBondContact O-CB 3.46Å; L213-K217 WeakPolarHBondContact O-CG 3.43Å; L213-K217 PolarHBondContact O-N 2.83Å; K217-D237 HydrophobicContact CG-CB 3.94Å
218R92.6Very high91.5Very high153 Ų15347 Ų4758%0.57723%0.227SC*.THydrogen-bonded Turntrans-87.8-4.6176.4-69.9174.1-172.2-163.11.5114S112 E214 V215 F216S112-R218 WeakPolarHBondContact OG-CB 3.4Å; E214-R218 WeakPolarHBondContact O-CG 3.47Å; E214-R218 PolarHBondContact O-N 2.87Å; V215-R218 PolarHBondContact O-N 3.4Å; F216-R218 PolarHBondContact O-N 2.75Å
219M91.8Very high91.5Very high5 Ų543.3 Ų43.33%0.02520%0.204CC..SBendtrans-69141175-67.8175.955.400110.2V103 V107 F216 L227 P236V103-M219 HydrophobicContact CG1-CE 4.02Å; V103-M219 HydrophobicContact CG1-SD 3.86Å; V107-M219 HydrophobicContact CG1-CE 3.76Å; V107-M219 HydrophobicContact CG1-CG 4.23Å; V107-M219 HydrophobicContact CG1-SD 3.92Å; V107-M219 HydrophobicContact CG2-SD 4.43Å; F216-M219 HydrophobicContact CB-SD 4.47Å; F216-M219 HydrophobicContact CD1-SD 3.85Å; F216-M219 HydrophobicContact CG-SD 4.42Å; F216-M219 WeakPolarHBondContact O-CB 3.32Å; F216-M219 PolarHBondContact O-N 3.4Å; M219-L227 HydrophobicContact CE-CD1 3.63Å; M219-P236 HydrophobicContact CE-CG 4.05Å; M219-P236 HydrophobicContact SD-CB 4.31Å; M219-P236 HydrophobicContact SD-CG 4.34Å
220S91.1Very high91.4Very high43 Ų4345.3 Ų45.330%0.30121%0.213SC..  trans-78.2149.2172.677.70000110.9E222 D223 C224S220-E222 PolarHBondContact O-N 3.4Å; S220-D223 PolarHBondContact O-N 3.41Å; S220-D223 WeakPolarHBondContact OG-CB 3.41Å; S220-D223 PolarHBondContact OG-N 3.35Å; S220-D223 VanDerWaalsContact OG-N 3.15Å; S220-D223 PolarHBondContact OG-OD2 2.95Å; S220-C224 PolarHBondContact O-N 3.02Å; S220-C224 PolarHBondContact O-SG 2.75Å
221D92.1Very high91.4Very high70 Ų7042.4 Ų42.437%0.37420%0.202SC..Hα-helixtrans-64.9-26.9179.4-63.9-28.1000112C224 L225 P231 R235D221-C224 WeakPolarHBondContact O-CB 3.36Å; D221-C224 PolarHBondContact O-N 3.24Å; D221-L225 WeakPolarHBondContact O-CG 3.38Å; D221-L225 PolarHBondContact O-N 3.39Å; D221-P231 HydrophobicContact CB-CB 4.09Å; D221-P231 HydrophobicContact CB-CG 4.05Å; D221-R235 IonicContact OD1-CZ 3.3Å; D221-R235 IonicContact OD1-NE 3.23Å; D221-R235 PolarHBondContact OD1-NE 3.26Å; D221-R235 IonicContact OD1-NH2 3.49Å; D221-R235 PolarHBondContact OD1-NH2 3.34Å; D221-R235 IonicContact OD2-NH2 3.04Å
222E88.7Confident91.4Very high114 Ų11447 Ų4753%0.53322%0.219SC..Hα-helixtrans-68.2-39171.9-57.1-179.4133.400112.4R172 S220 L225 S226R172-E222 IonicContact CZ-OE2 3.34Å; R172-E222 IonicContact NH1-OE2 2.69Å; R172-E222 IonicContact NH2-OE1 3.11Å; R172-E222 IonicContact NH2-OE2 2.69Å; R172-E222 PolarHBondContact NH2-OE2 2.99Å; S220-E222 PolarHBondContact O-N 3.4Å; E222-L225 PolarHBondContact O-N 2.88Å; E222-S226 WeakPolarHBondContact O-CB 3.09Å; E222-S226 PolarHBondContact O-N 2.65Å; E222-S226 PolarHBondContact O-OG 2.78Å
223D90Very high91.3Very high7 Ų750.5 Ų50.54%0.03723%0.233CC..Hα-helixtrans-69.7-36174.7-61.7-39.7000110.4R172 S220 S226 L227R172-D223 IonicContact NH1-OD1 2.62Å; R172-D223 PolarHBondContact NH1-OD1 3.31Å; S220-D223 PolarHBondContact O-N 3.41Å; S220-D223 WeakPolarHBondContact OG-CB 3.41Å; S220-D223 PolarHBondContact OG-N 3.35Å; S220-D223 VanDerWaalsContact OG-N 3.15Å; S220-D223 PolarHBondContact OG-OD2 2.95Å; D223-S226 PolarHBondContact O-N 2.77Å; D223-L227 WeakPolarHBondContact O-CB 3.33Å; D223-L227 WeakPolarHBondContact O-CG 3.24Å; D223-L227 PolarHBondContact O-N 3.22Å
224C90.8Very high91.2Very high1 Ų149.6 Ų49.61%0.00723%0.229CC..Hα-helixtrans-58-51.9171.1-68.70000111.7S220 D221 S226 L227 G228 F229S220-C224 PolarHBondContact O-N 3.02Å; S220-C224 PolarHBondContact O-SG 2.75Å; D221-C224 WeakPolarHBondContact O-CB 3.36Å; D221-C224 PolarHBondContact O-N 3.24Å; C224-S226 VanDerWaalsContact C-N 3.3Å; C224-S226 PolarHBondContact O-N 3.09Å; C224-L227 PolarHBondContact O-N 2.84Å; C224-G228 PolarHBondContact O-N 2.91Å; C224-F229 CarbonylContact C-O 3.56Å; C224-F229 VanDerWaalsContact C-O 3.31Å; C224-F229 HydrophobicContact CB-CB 4.24Å; C224-F229 PolarHBondContact O-N 2.89Å
225L89.5Confident91.2Very high87 Ų8748.9 Ų48.946%0.45522%0.223SC..Hα-helixtrans-61.3-37.2177.4-72.4169.2000112.6R137 D221 E222 G228 F229 P231R137-L225 PolarHBondContact NH1-O 3.45Å; D221-L225 WeakPolarHBondContact O-CG 3.38Å; D221-L225 PolarHBondContact O-N 3.39Å; E222-L225 PolarHBondContact O-N 2.88Å; L225-G228 PolarHBondContact O-N 3.48Å; L225-F229 WeakPolarHBondContact CA-O 3.13Å; L225-F229 PolarHBondContact N-O 2.93Å; L225-P231 HydrophobicContact CG-CG 4.45Å
226S87Confident91.2Very high17 Ų1748.7 Ų48.712%0.11922%0.222CC..Hα-helixtrans-66.7-36.8176.6-59.50000112.2R137 E222 D223 C224 G228R137-S226 VanDerWaalsContact CD-O 3.26Å; R137-S226 WeakPolarHBondContact CD-O 3.33Å; E222-S226 WeakPolarHBondContact O-CB 3.09Å; E222-S226 PolarHBondContact O-N 2.65Å; E222-S226 PolarHBondContact O-OG 2.78Å; D223-S226 PolarHBondContact O-N 2.77Å; C224-S226 VanDerWaalsContact C-N 3.3Å; C224-S226 PolarHBondContact O-N 3.09Å; S226-G228 VanDerWaalsContact C-N 3.34Å
227L88.8Confident91.1Very high0 Ų049.2 Ų49.20%023%0.225CC..Hα-helixtrans-74.1-22.3173.1-71.6170.7000113.3C106 V107 I114 M138 M141 M219 D223 C224 F229C106-L227 HydrophobicContact CB-CD1 4.46Å; C106-L227 HydrophobicContact CB-CD2 3.56Å; V107-L227 HydrophobicContact CG1-CD1 4.12Å; I114-L227 HydrophobicContact CD1-CD2 3.58Å; I114-L227 HydrophobicContact CD1-CG 3.94Å; I114-L227 HydrophobicContact CG1-CD2 4.24Å; M138-L227 WeakPolarHBondContact CA-O 3.48Å; M138-L227 VanDerWaalsContact CB-O 3.28Å; M138-L227 WeakPolarHBondContact CB-O 3.43Å; M138-L227 PolarHBondContact N-O 2.97Å; M138-L227 HydrophobicContact SD-CB 4.15Å; M138-L227 HydrophobicContact SD-CD2 4.24Å; M141-L227 HydrophobicContact CB-CD2 4.25Å; M219-L227 HydrophobicContact CE-CD1 3.63Å; D223-L227 WeakPolarHBondContact O-CB 3.33Å; D223-L227 WeakPolarHBondContact O-CG 3.24Å; D223-L227 PolarHBondContact O-N 3.22Å; C224-L227 PolarHBondContact O-N 2.84Å; L227-F229 HydrophobicContact CB-CD2 3.82Å; L227-F229 HydrophobicContact CB-CE2 4.04Å
228G87.2Confident91.2Very high0 Ų045.5 Ų45.50%021%0.207CC..THydrogen-bonded Turntrans100.828.4-177.200000114.5N134 C224 L225 S226N134-G228 WeakPolarHBondContact CB-O 3.33Å; C224-G228 PolarHBondContact O-N 2.91Å; L225-G228 PolarHBondContact O-N 3.48Å; S226-G228 VanDerWaalsContact C-N 3.34Å
229F91.4Very high91.3Very high3 Ų338.3 Ų38.31%0.01318%0.18CC..  trans-106.7137.3168.6-63.5-93.1000109.6K99 V103 M138 C224 L225 L227 P236 M239 I1434K99-F229 HydrophobicContact CD-CZ 4.29Å; K99-F229 HydrophobicContact CG-CE1 4.41Å; K99-F229 HydrophobicContact CG-CZ 4.15Å; V103-F229 HydrophobicContact CG2-CE1 4.39Å; V103-F229 HydrophobicContact CG2-CE2 3.7Å; V103-F229 HydrophobicContact CG2-CZ 3.38Å; M138-F229 HydrophobicContact CE-CE2 4.18Å; M138-F229 HydrophobicContact CE-CZ 4.39Å; M138-F229 HydrophobicContact SD-CE2 3.78Å; M138-F229 HydrophobicContact SD-CZ 4.36Å; C224-F229 CarbonylContact C-O 3.56Å; C224-F229 VanDerWaalsContact C-O 3.31Å; C224-F229 HydrophobicContact CB-CB 4.24Å; C224-F229 PolarHBondContact O-N 2.89Å; L225-F229 WeakPolarHBondContact CA-O 3.13Å; L225-F229 PolarHBondContact N-O 2.93Å; L227-F229 HydrophobicContact CB-CD2 3.82Å; L227-F229 HydrophobicContact CB-CE2 4.04Å; F229-P236 HydrophobicContact CB-CG 4.43Å; F229-P236 HydrophobicContact CD1-CG 4.16Å; F229-P236 HydrophobicContact CD2-CG 4.24Å; F229-P236 HydrophobicContact CE1-CG 4.49Å; F229-P236 HydrophobicContact CG-CG 4.03Å; F229-M239 HydrophobicContact CE1-CE 4.43Å; F229-I1434 HydrophobicContact CD1-CG2 4.45Å; F229-I1434 WeakPolarHBondContact CD1-O 3.45Å; F229-I1434 HydrophobicContact CE1-CG2 3.74Å; F229-I1434 HydrophobicContact CZ-CG2 4.5Å
230D90.9Very high91.4Very high49 Ų4938.1 Ų38.126%0.26218%0.179SC..  trans-89.2114.3168.7-171.6-25.5000109R232 Y233 A234D230-R232 PolarHBondContact O-N 3.31Å; D230-R232 VanDerWaalsContact O-N 3.1Å; D230-R232 VanDerWaalsContact OD1-CB 3.23Å; D230-R232 WeakPolarHBondContact OD1-CB 3.44Å; D230-R232 PolarHBondContact OD1-N 3.41Å; D230-Y233 PolarHBondContact O-N 3.27Å; D230-Y233 WeakPolarHBondContact OD2-CD2 3.12Å; D230-A234 CarbonylContact O-C 3.57Å; D230-A234 PolarHBondContact O-N 2.94Å
231P91.2Very high91.5Very high28 Ų2836.9 Ų36.918%0.18217%0.172CC..THydrogen-bonded Turntrans-62.3-16.9-179.428.3-36.6000113.4D221 L225 R235D221-P231 HydrophobicContact CB-CB 4.09Å; D221-P231 HydrophobicContact CB-CG 4.05Å; L225-P231 HydrophobicContact CG-CG 4.45Å; P231-R235 HydrophobicContact CB-CG 4.47Å
232R92.1Very high91.6Very high182 Ų18235.2 Ų35.269%0.68716%0.164SC*.THydrogen-bonded Turntrans-76.5-31.8176.9-172.9177.3-178.2-176.82.1113.6D230D230-R232 PolarHBondContact O-N 3.31Å; D230-R232 VanDerWaalsContact O-N 3.1Å; D230-R232 VanDerWaalsContact OD1-CB 3.23Å; D230-R232 WeakPolarHBondContact OD1-CB 3.44Å; D230-R232 PolarHBondContact OD1-N 3.41Å
233Y92.6Very high91.9Very high74 Ų7430.3 Ų30.329%0.2914%0.142SC..THydrogen-bonded Turntrans-126.4-19.8-168.5-61.2-64.2000114.2Q18 G20 I21 D230 S1436Q18-Y233 HydrophobicContact CG-CD1 3.96Å; Q18-Y233 HydrophobicContact CG-CD2 4.26Å; Q18-Y233 HydrophobicContact CG-CE1 3.86Å; Q18-Y233 HydrophobicContact CG-CE2 4.17Å; Q18-Y233 HydrophobicContact CG-CG 4.16Å; G20-Y233 CarbonylContact C-O 3.57Å; G20-Y233 WeakPolarHBondContact CA-O 3.45Å; I21-Y233 PolarHBondContact N-O 2.89Å; D230-Y233 PolarHBondContact O-N 3.27Å; D230-Y233 WeakPolarHBondContact OD2-CD2 3.12Å; Y233-S1436 WeakPolarHBondContact CB-OG 3.29Å
234A92.9Very high92.1Very high1 Ų130.7 Ų30.71%0.00814%0.144CC..  trans-153.763.8-179.600000111.6I21 D230 A1433 I1434 S1436I21-A234 HydrophobicContact CD1-CB 4.36Å; I21-A234 HydrophobicContact CG1-CB 4.23Å; D230-A234 CarbonylContact O-C 3.57Å; D230-A234 PolarHBondContact O-N 2.94Å; A234-A1433 VanDerWaalsContact CB-O 3.31Å; A234-A1433 WeakPolarHBondContact CB-O 3.44Å; A234-I1434 VanDerWaalsContact CB-O 3.27Å; A234-I1434 WeakPolarHBondContact CB-O 3.36Å; A234-S1436 WeakPolarHBondContact CB-OG 3.35Å
235R93.5Very high92.3Very high62 Ų6232.6 Ų32.623%0.23416%0.156CC..  trans-67.9137.4175.2-149.4177.8-167.6-136.26.8110.5D221 P231 D237 W238D221-R235 IonicContact OD1-CZ 3.3Å; D221-R235 IonicContact OD1-NE 3.23Å; D221-R235 PolarHBondContact OD1-NE 3.26Å; D221-R235 IonicContact OD1-NH2 3.49Å; D221-R235 PolarHBondContact OD1-NH2 3.34Å; D221-R235 IonicContact OD2-NH2 3.04Å; P231-R235 HydrophobicContact CB-CG 4.47Å; R235-D237 VanDerWaalsContact C-N 3.25Å; R235-D237 VanDerWaalsContact CB-OD1 3.28Å; R235-D237 WeakPolarHBondContact CB-OD1 3.49Å; R235-D237 WeakPolarHBondContact CD-OD1 3.28Å; R235-D237 WeakPolarHBondContact CG-OD1 3.42Å; R235-D237 PolarHBondContact O-N 3.46Å; R235-D237 VanDerWaalsContact O-N 3.14Å; R235-W238 HydrophobicContact CB-CD2 3.74Å; R235-W238 HydrophobicContact CB-CE3 4.08Å; R235-W238 HydrophobicContact CB-CG 4.24Å; R235-W238 HydrophobicContact CB-CH2 4.18Å; R235-W238 HydrophobicContact CB-CZ2 3.83Å; R235-W238 HydrophobicContact CB-CZ3 4.3Å; R235-W238 WeakPolarHBondContact O-CB 3.23Å; R235-W238 PolarHBondContact O-N 3.45Å
236P93.1Very high92.5Very high1 Ų128.5 Ų28.51%0.00614%0.135CC..G310 helixtrans-59.6-28.4-170.6-30.137.3000115.9V103 F216 M219 F229 W238 M239V103-P236 HydrophobicContact CG1-CB 4.43Å; F216-P236 HydrophobicContact CB-CB 4.39Å; F216-P236 HydrophobicContact CD2-CB 4.12Å; F216-P236 WeakPolarHBondContact CD2-O 3.21Å; F216-P236 HydrophobicContact CG-CB 4.18Å; M219-P236 HydrophobicContact CE-CG 4.05Å; M219-P236 HydrophobicContact SD-CB 4.31Å; M219-P236 HydrophobicContact SD-CG 4.34Å; F229-P236 HydrophobicContact CB-CG 4.43Å; F229-P236 HydrophobicContact CD1-CG 4.16Å; F229-P236 HydrophobicContact CD2-CG 4.24Å; F229-P236 HydrophobicContact CE1-CG 4.49Å; F229-P236 HydrophobicContact CG-CG 4.03Å; P236-W238 VanDerWaalsContact C-N 3.3Å; P236-W238 PolarHBondContact O-N 2.65Å; P236-M239 HydrophobicContact CB-CE 3.9Å; P236-M239 WeakPolarHBondContact O-CB 3.37Å; P236-M239 WeakPolarHBondContact O-CE 2.92Å; P236-M239 PolarHBondContact O-N 3.06Å
237D93.6Very high92.8Very high13 Ų1328.6 Ų28.67%0.0714%0.135CC..G310 helixtrans-66.1-29.2176.856.8-41.4000112.9L213 F216 K217 R235 M239 I240L213-D237 HydrophobicContact CD1-CB 3.84Å; L213-D237 WeakPolarHBondContact CD1-O 3.27Å; F216-D237 HydrophobicContact CB-CB 3.9Å; K217-D237 HydrophobicContact CG-CB 3.94Å; R235-D237 VanDerWaalsContact C-N 3.25Å; R235-D237 VanDerWaalsContact CB-OD1 3.28Å; R235-D237 WeakPolarHBondContact CB-OD1 3.49Å; R235-D237 WeakPolarHBondContact CD-OD1 3.28Å; R235-D237 WeakPolarHBondContact CG-OD1 3.42Å; R235-D237 PolarHBondContact O-N 3.46Å; R235-D237 VanDerWaalsContact O-N 3.14Å; D237-M239 PolarHBondContact O-N 3.43Å; D237-I240 PolarHBondContact O-N 3.43Å
238W94.7Very high93Very high46 Ų4628.8 Ų28.817%0.17414%0.136CC..G310 helixtrans-69.8-10.8176-51-16.2000113.2I21 R235 P236 I240I21-W238 HydrophobicContact CB-CB 4.37Å; I21-W238 HydrophobicContact CG2-CB 3.81Å; I21-W238 WeakPolarHBondContact CG2-O 3.37Å; R235-W238 HydrophobicContact CB-CD2 3.74Å; R235-W238 HydrophobicContact CB-CE3 4.08Å; R235-W238 HydrophobicContact CB-CG 4.24Å; R235-W238 HydrophobicContact CB-CH2 4.18Å; R235-W238 HydrophobicContact CB-CZ2 3.83Å; R235-W238 HydrophobicContact CB-CZ3 4.3Å; R235-W238 WeakPolarHBondContact O-CB 3.23Å; R235-W238 PolarHBondContact O-N 3.45Å; P236-W238 VanDerWaalsContact C-N 3.3Å; P236-W238 PolarHBondContact O-N 2.65Å; W238-I240 PolarHBondContact O-N 3.37Å
239M93.8Very high93.2Very high1 Ų129.2 Ų29.21%0.00514%0.139CC..G310 helixtrans-67.4-11.2170.9-68-169.2-76.600113.6I21 H93 F96 K99 V103 F216 F229 P236 D237I21-M239 HydrophobicContact CD1-CG 3.79Å; H93-M239 WeakPolarHBondContact CB-O 3.34Å; F96-M239 HydrophobicContact CB-CB 3.92Å; F96-M239 HydrophobicContact CB-CG 4.04Å; F96-M239 HydrophobicContact CB-SD 4.12Å; F96-M239 HydrophobicContact CD2-CB 4.06Å; F96-M239 HydrophobicContact CD2-CG 4.19Å; F96-M239 HydrophobicContact CG-CB 4.32Å; F96-M239 HydrophobicContact CG-CG 4.22Å; K99-M239 HydrophobicContact CB-SD 4.06Å; K99-M239 HydrophobicContact CG-SD 4.01Å; V103-M239 HydrophobicContact CG2-CE 3.99Å; F216-M239 HydrophobicContact CE2-CE 3.86Å; F216-M239 HydrophobicContact CZ-CE 4.44Å; F229-M239 HydrophobicContact CE1-CE 4.43Å; P236-M239 HydrophobicContact CB-CE 3.9Å; P236-M239 WeakPolarHBondContact O-CB 3.37Å; P236-M239 WeakPolarHBondContact O-CE 2.92Å; P236-M239 PolarHBondContact O-N 3.06Å; D237-M239 PolarHBondContact O-N 3.43Å
240I94.6Very high93.1Very high2 Ų232.8 Ų32.81%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-108.8121.9-179.9-60.4168.4000108.2P90 A209 V212 L213 F216 D237 W238 T242P90-I240 HydrophobicContact CB-CG2 3.75Å; A209-I240 HydrophobicContact CB-CG2 4.14Å; V212-I240 HydrophobicContact CB-CD1 3.9Å; V212-I240 HydrophobicContact CG1-CD1 3.8Å; L213-I240 HydrophobicContact CB-CD1 3.84Å; L213-I240 HydrophobicContact CD1-CB 4.27Å; L213-I240 HydrophobicContact CD1-CD1 4.31Å; F216-I240 HydrophobicContact CD2-CD1 4.23Å; D237-I240 PolarHBondContact O-N 3.43Å; W238-I240 PolarHBondContact O-N 3.37Å; I240-T242 PolarHBondContact O-N 2.86Å
241A93.8Very high93.2Very high17 Ų1733.8 Ų33.814%0.1417%0.171CC..EExtended strand (participates in β ladder)trans-75.8115.6-177.400000110.3L87 P90 V91L87-A241 HydrophobicContact CD1-CB 4.13Å; P90-A241 WeakPolarHBondContact CA-O 3.32Å; V91-A241 PolarHBondContact N-O 2.99Å; V91-A241 PolarHBondContact O-N 3.45Å
242T94.4Very high93.2Very high35 Ų3532.5 Ų32.522%0.21516%0.162CC..EExtended strand (participates in β ladder)trans-107.5-34.1168.453.80000111.3P24 L87 P90 L213 I240P24-T242 WeakPolarHBondContact CB-OG1 3.44Å; P24-T242 WeakPolarHBondContact CG-OG1 3.35Å; L87-T242 WeakPolarHBondContact CB-O 3.32Å; L87-T242 PolarHBondContact N-O 2.88Å; P90-T242 HydrophobicContact CB-CG2 4.12Å; P90-T242 HydrophobicContact CG-CG2 4.19Å; L213-T242 HydrophobicContact CD2-CG2 3.73Å; I240-T242 PolarHBondContact O-N 2.86Å
243V94.5Very high93Very high11 Ų1127.3 Ų27.37%0.06715%0.152CC..EExtended strand (participates in β ladder)trans-121.7130.7172.9-172.90000107.8P24 I27 K28 H84P24-V243 HydrophobicContact CB-CB 4.49Å; P24-V243 HydrophobicContact CB-CG2 4.07Å; I27-V243 HydrophobicContact CB-CG1 4.31Å; I27-V243 HydrophobicContact CG2-CB 4.3Å; I27-V243 HydrophobicContact CG2-CG1 3.6Å; K28-V243 VanDerWaalsContact CE-CG2 3.49Å; K28-V243 HydrophobicContact CG-CG1 4.26Å; K28-V243 HydrophobicContact CG-CG2 4.38Å; H84-V243 HydrophobicContact CB-CG1 3.83Å
244L93.8Very high92.6Very high14 Ų1425.2 Ų25.27%0.07315%0.15CC..EExtended strand (participates in β ladder)trans-104.8121179.7-171.473.5000109.8H84 V85 L87 I274 V305 M308H84-L244 CarbonylContact C-O 3.55Å; H84-L244 WeakPolarHBondContact CA-O 3.05Å; V85-L244 HydrophobicContact CB-CB 4.49Å; V85-L244 PolarHBondContact N-O 2.85Å; V85-L244 PolarHBondContact O-N 3Å; L87-L244 HydrophobicContact CD2-CB 4.34Å; L87-L244 HydrophobicContact CG-CB 4.46Å; L244-I274 HydrophobicContact CD2-CD1 4.06Å; L244-I274 HydrophobicContact CD2-CG2 4.1Å; L244-V305 HydrophobicContact CD1-CG1 4.4Å; L244-M308 HydrophobicContact CD1-CE 3.96Å; L244-M308 HydrophobicContact CD2-CE 3.95Å; L244-M308 HydrophobicContact CG-CE 4.3Å
245P94.2Very high92.1Very high42 Ų4229.3 Ų29.327%0.27318%0.175SC..EExtended strand (participates in β ladder)trans-70.3133.1175.627.8-32.4000110.5I27 F82I27-P245 HydrophobicContact CG2-CB 3.98Å; F82-P245 HydrophobicContact CD1-CB 4.39Å
246V94.6Very high91.3Very high0 Ų029.6 Ų29.60%018%0.184CC..EExtended strand (participates in β ladder)trans-95.1115.3175.5178.40000108.6I38 F82 G83 V85 L271I38-V246 HydrophobicContact CG1-CG2 4.24Å; F82-V246 WeakPolarHBondContact CD1-O 3.48Å; G83-V246 PolarHBondContact N-O 3.03Å; G83-V246 PolarHBondContact O-N 2.71Å; V85-V246 HydrophobicContact CG2-CG2 3.65Å; V246-L271 HydrophobicContact CG1-CD1 4.17Å
247P93.8Very high90.3Very high19 Ų1933.8 Ų33.812%0.12320%0.204CC..  trans-65.7145.2-179.626.3-33.9000111.6F82 V251 R252 L271F82-P247 HydrophobicContact CE1-CB 4.41Å; P247-V251 HydrophobicContact CB-CB 4.1Å; P247-V251 HydrophobicContact CB-CG1 4.03Å; P247-V251 HydrophobicContact CB-CG2 4.47Å; P247-R252 PolarHBondContact O-NE 2.81Å; P247-L271 HydrophobicContact CG-CD1 4.47Å
248P93Very high89.1Confident4 Ų443.1 Ų43.13%0.02624%0.24CC..  trans-66.4166.1-178.924.3-33.9000114.2H81 C250 V251H81-P248 WeakPolarHBondContact O-CB 3.39Å; P248-C250 VanDerWaalsContact CG-SG 3.59Å; P248-C250 PolarHBondContact O-N 2.92Å; P248-C250 VanDerWaalsContact O-N 3.14Å; P248-V251 HydrophobicContact CG-CG2 4.17Å; P248-V251 WeakPolarHBondContact O-CB 3.35Å; P248-V251 PolarHBondContact O-N 2.85Å
249L91.2Very high87.6Confident10 Ų1043.9 Ų43.95%0.05226%0.262CS..THydrogen-bonded Turntrans-58-29.9-176.1-61.3-177.2000114.1M55 Q59 V62 V251 R252 P253M55-L249 HydrophobicContact CE-CD1 4.09Å; M55-L249 HydrophobicContact CE-CD2 3.95Å; M55-L249 HydrophobicContact SD-CD2 3.66Å; Q59-L249 HydrophobicContact CB-CG 4.44Å; V62-L249 HydrophobicContact CG2-CD1 3.93Å; L249-V251 VanDerWaalsContact C-N 3.25Å; L249-V251 PolarHBondContact O-N 3.39Å; L249-R252 CarbonylContact O-C 3.56Å; L249-R252 PolarHBondContact O-N 2.83Å; L249-P253 WeakPolarHBondContact O-CA 3.38Å; L249-P253 VanDerWaalsContact O-N 3.15Å
250C89.6Confident86.3Confident78 Ų7848.6 Ų48.653%0.52730%0.301SS..THydrogen-bonded Turntrans-63.1-27.2175.559.60000113.6P79 P248P79-C250 PolarHBondContact O-SG 2.91Å; P248-C250 VanDerWaalsContact CG-SG 3.59Å; P248-C250 PolarHBondContact O-N 2.92Å; P248-C250 VanDerWaalsContact O-N 3.14Å
251V91.4Very high85.2Confident70 Ų7052.5 Ų52.542%0.42433%0.325SS..THydrogen-bonded Turntrans-84.4-25.9177.7178.10000112P247 P248 L249 P253 R333P247-V251 HydrophobicContact CB-CB 4.1Å; P247-V251 HydrophobicContact CB-CG1 4.03Å; P247-V251 HydrophobicContact CB-CG2 4.47Å; P248-V251 HydrophobicContact CG-CG2 4.17Å; P248-V251 WeakPolarHBondContact O-CB 3.35Å; P248-V251 PolarHBondContact O-N 2.85Å; L249-V251 VanDerWaalsContact C-N 3.25Å; L249-V251 PolarHBondContact O-N 3.39Å; V251-P253 VanDerWaalsContact C-CD 3.5Å; V251-R333 PolarHBondContact O-NH1 3.49Å
252R91.9Very high84.3Confident0 Ų055 Ų550%033%0.331CS..SBendtrans-131.559.8-175.655.7-179.1-174.3864.5111.7L54 P247 L249 D265 L267 T268L54-R252 VanDerWaalsContact O-CZ 3.24Å; L54-R252 PolarHBondContact O-NH1 3.08Å; L54-R252 PolarHBondContact O-NH2 3.16Å; P247-R252 PolarHBondContact O-NE 2.81Å; L249-R252 CarbonylContact O-C 3.56Å; L249-R252 PolarHBondContact O-N 2.83Å; R252-D265 HydrophobicContact CB-CB 3.97Å; R252-L267 HydrophobicContact CB-CB 4.37Å; R252-T268 WeakPolarHBondContact CD-OG1 3.31Å; R252-T268 PolarHBondContact NH1-OG1 2.9Å; R252-T268 VanDerWaalsContact NH1-OG1 3.14Å
253P87.5Confident83.7Confident73 Ų7357.5 Ų57.547%0.47434%0.343SS..  trans-66.2140.9-170.527.9-36.5000112.5L249 V251L249-P253 WeakPolarHBondContact O-CA 3.38Å; L249-P253 VanDerWaalsContact O-N 3.15Å; V251-P253 VanDerWaalsContact C-CD 3.5Å
254A85.1Confident83.4Confident31 Ų3158.3 Ų58.326%0.25635%0.346SS..  trans-82.5133.5171.300000110.7M55M55-A254 HydrophobicContact CE-CB 4.21Å
255V82.8Confident83.3Confident87 Ų8759 Ų5953%0.52735%0.35SS..EExtended strand (participates in β ladder)trans-97111.6175.6-177.50000109.1N263V255-N263 PolarHBondContact N-O 3.41Å; V255-N263 PolarHBondContact O-N 3.41Å
256V76.9Confident83.2Confident68 Ų6857.6 Ų57.641%0.41234%0.34SS..EExtended strand (participates in β ladder)trans-81.7118.5174.6-170.10000108.9R262V256-R262 HydrophobicContact CG2-CG 4.38Å
257M72.2Confident83.1Confident89 Ų8957.9 Ų57.944%0.43834%0.341SS..PPolyproline II helixtrans-84.6162.3168.4-63.9-16771.100109.9G259 T261 N263M257-G259 PolarHBondContact O-N 3.19Å; M257-G259 VanDerWaalsContact O-N 3.16Å; M257-T261 PolarHBondContact N-O 2.94Å; M257-T261 VanDerWaalsContact N-O 3.1Å; M257-N263 PolarHBondContact SD-ND2 2.91Å
258Y68.1Low83Confident209 Ų20957.1 Ų57.182%0.8234%0.336SS*.SBendtrans-63.9121177.3-86.9-73.1000108.3R1568Y258-R1568 VanDerWaalsContact CE2-NH1 3.3Å
259G63.2Low83Confident61 Ų6160.7 Ų60.763%0.62935%0.352SS*.SBendtrans89.484.6-17700000114.4M257 T261M257-G259 PolarHBondContact O-N 3.19Å; M257-G259 VanDerWaalsContact O-N 3.16Å; G259-T261 PolarHBondContact O-N 2.85Å; G259-T261 PolarHBondContact O-OG1 3.27Å
260A65.7Low83.1Confident101 Ų10160.5 Ų60.584%0.83535%0.351SS*.SBendtrans52.2-21.6164.600000120.4
261T71.9Confident83.4Confident83 Ų8356.8 Ų56.851%0.50933%0.326SS..  trans-81.5121.3-173.348.80000111M257 G259M257-T261 PolarHBondContact N-O 2.94Å; M257-T261 VanDerWaalsContact N-O 3.1Å; G259-T261 PolarHBondContact O-N 2.85Å; G259-T261 PolarHBondContact O-OG1 3.27Å
262R73.9Confident83.5Confident69 Ų6954 Ų5426%0.2631%0.311SS..EExtended strand (participates in β ladder)trans-105.6108179.8-68.1-177166.8174.2-5.6109.9M44 D63 V256M44-R262 PolarHBondContact SD-NH1 2.86Å; M44-R262 VanDerWaalsContact SD-NH1 3.42Å; D63-R262 IonicContact OD1-CZ 2.71Å; D63-R262 IonicContact OD1-NH2 3.86Å; D63-R262 PolarHBondContact OD1-NH2 2.86Å; D63-R262 IonicContact OD2-CZ 2.73Å; D63-R262 IonicContact OD2-NH2 2.77Å; D63-R262 PolarHBondContact OD2-NH2 2.89Å; V256-R262 HydrophobicContact CG2-CG 4.38Å
263N83.2Confident83.6Confident88 Ų8856.6 Ų56.647%0.47133%0.325SS..EExtended strand (participates in β ladder)trans-81.8123.2171.8-74-27.3000109.4V255 M257V255-N263 PolarHBondContact N-O 3.41Å; V255-N263 PolarHBondContact O-N 3.41Å; M257-N263 PolarHBondContact SD-ND2 2.91Å
264Q87.4Confident84Confident28 Ų2853.1 Ų53.113%0.13130%0.302CS..PPolyproline II helixtrans-88.7154.7-176.9-62.2-62.1-26.700111.4T268Q264-T268 HydrophobicContact CB-CG2 4.1Å; Q264-T268 HydrophobicContact CG-CG2 4.33Å
265D91Very high84.4Confident29 Ų2951.7 Ų51.716%0.15529%0.29CS..PPolyproline II helixtrans-67.6153.8175.3179.870.5000112.4R252 L267 T268 H269 R333R252-D265 HydrophobicContact CB-CB 3.97Å; D265-L267 PolarHBondContact O-N 2.63Å; D265-L267 VanDerWaalsContact OD2-CB 3.3Å; D265-L267 WeakPolarHBondContact OD2-CB 3.28Å; D265-L267 PolarHBondContact OD2-N 3.41Å; D265-T268 WeakPolarHBondContact O-CB 3.45Å; D265-T268 PolarHBondContact O-N 3.41Å; D265-H269 PolarHBondContact O-N 2.85Å; D265-H269 VanDerWaalsContact O-N 3.1Å; D265-R333 IonicContact OD1-CZ 3.54Å; D265-R333 IonicContact OD1-NH1 2.77Å; D265-R333 PolarHBondContact OD1-NH1 2.64Å; D265-R333 IonicContact OD1-NH2 3.26Å; D265-R333 PolarHBondContact OD1-NH2 3.05Å; D265-R333 IonicContact OD2-CZ 3.76Å; D265-R333 IonicContact OD2-NH1 3.47Å; D265-R333 PolarHBondContact OD2-NH1 2.93Å; D265-R333 IonicContact OD2-NH2 3.57Å; D265-R333 PolarHBondContact OD2-NH2 3.18Å
266D92.1Very high85Confident13 Ų1353.3 Ų53.37%0.0729%0.29CS..Hα-helixtrans-54-35.3178-70.2-22.8000112.7K270 R325 L327 K328D266-K270 PolarHBondContact O-N 3.18Å; D266-K270 VanDerWaalsContact O-N 3.14Å; D266-R325 IonicContact OD1-CZ 3.61Å; D266-R325 IonicContact OD1-NH2 2.78Å; D266-R325 PolarHBondContact OD1-NH2 2.6Å; D266-R325 IonicContact OD2-CZ 2.83Å; D266-R325 IonicContact OD2-NH1 3.47Å; D266-R325 PolarHBondContact OD2-NH1 3.48Å; D266-R325 IonicContact OD2-NH2 3.81Å; D266-R325 PolarHBondContact OD2-NH2 3.22Å; D266-L327 HydrophobicContact CB-CB 4.46Å; D266-L327 HydrophobicContact CB-CD2 3.95Å; D266-K328 PolarHBondContact OD2-N 3.41Å
267L93.1Very high85.9Confident6 Ų650.1 Ų50.13%0.03127%0.271CS..Hα-helixtrans-72.4-38.1176.4-63.5176000112R252 D265 H269 K270 L271 M308 I330R252-L267 HydrophobicContact CB-CB 4.37Å; D265-L267 PolarHBondContact O-N 2.63Å; D265-L267 VanDerWaalsContact OD2-CB 3.3Å; D265-L267 WeakPolarHBondContact OD2-CB 3.28Å; D265-L267 PolarHBondContact OD2-N 3.41Å; L267-H269 VanDerWaalsContact C-N 3.31Å; L267-H269 PolarHBondContact O-N 3.37Å; L267-K270 PolarHBondContact O-N 3.05Å; L267-K270 VanDerWaalsContact O-N 3.17Å; L267-L271 WeakPolarHBondContact O-CB 3.48Å; L267-L271 VanDerWaalsContact O-CG 3.27Å; L267-L271 WeakPolarHBondContact O-CG 3.31Å; L267-L271 PolarHBondContact O-N 2.87Å; L267-M308 HydrophobicContact CD2-CG 4.27Å; L267-I330 HydrophobicContact CD1-CG1 4.39Å; L267-I330 HydrophobicContact CD2-CG1 3.97Å
268T92.7Very high87Confident3 Ų346 Ų462%0.01825%0.251CS..Hα-helixtrans-62.3-41.1176.2-60.30000110.7T43 L54 R252 Q264 D265 A272T43-T268 HydrophobicContact CG2-CG2 4.45Å; L54-T268 HydrophobicContact CB-CG2 4.29Å; L54-T268 HydrophobicContact CD1-CG2 4.27Å; R252-T268 WeakPolarHBondContact CD-OG1 3.31Å; R252-T268 PolarHBondContact NH1-OG1 2.9Å; R252-T268 VanDerWaalsContact NH1-OG1 3.14Å; Q264-T268 HydrophobicContact CB-CG2 4.1Å; Q264-T268 HydrophobicContact CG-CG2 4.33Å; D265-T268 WeakPolarHBondContact O-CB 3.45Å; D265-T268 PolarHBondContact O-N 3.41Å; T268-A272 PolarHBondContact O-N 3.06Å
269H92Very high88.2Confident78 Ų7838.6 Ų38.636%0.36123%0.225SC..Hα-helixtrans-60.6-45.4171.9-76.5-60.6000112.2D265 L267 A272 D273D265-H269 PolarHBondContact O-N 2.85Å; D265-H269 VanDerWaalsContact O-N 3.1Å; L267-H269 VanDerWaalsContact C-N 3.31Å; L267-H269 PolarHBondContact O-N 3.37Å; H269-A272 WeakPolarHBondContact O-CB 3.46Å; H269-A272 PolarHBondContact O-N 3.4Å; H269-D273 PolarHBondContact O-N 2.87Å
270K94Very high89.6Confident6 Ų639 Ų393%0.02621%0.211CC..Hα-helixtrans-68.9-36.5-178.6-166.456.7170-176.50113.4D266 L267 A272 D273 I274 H304 T307 M308 L327D266-K270 PolarHBondContact O-N 3.18Å; D266-K270 VanDerWaalsContact O-N 3.14Å; L267-K270 PolarHBondContact O-N 3.05Å; L267-K270 VanDerWaalsContact O-N 3.17Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-D273 PolarHBondContact O-N 2.93Å; K270-I274 WeakPolarHBondContact O-CG1 3.42Å; K270-I274 PolarHBondContact O-N 3.26Å; K270-H304 WeakPolarHBondContact CE-O 3.41Å; K270-H304 PolarHBondContact NZ-ND1 3.46Å; K270-T307 WeakPolarHBondContact CE-OG1 3.49Å; K270-T307 PolarHBondContact NZ-OG1 3.44Å; K270-M308 HydrophobicContact CG-CB 3.91Å; K270-M308 HydrophobicContact CG-CG 4.29Å; K270-L327 HydrophobicContact CD-CD1 4.31Å
271L94.8Very high91Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-62.4-39.1172.2-73.3163.4000111.5L54 V246 P247 L267 D273 I274 I275 M308L54-L271 HydrophobicContact CD1-CB 4.31Å; L54-L271 HydrophobicContact CD2-CB 3.76Å; L54-L271 HydrophobicContact CD2-CD1 4.25Å; V246-L271 HydrophobicContact CG1-CD1 4.17Å; P247-L271 HydrophobicContact CG-CD1 4.47Å; L267-L271 WeakPolarHBondContact O-CB 3.48Å; L267-L271 VanDerWaalsContact O-CG 3.27Å; L267-L271 WeakPolarHBondContact O-CG 3.31Å; L267-L271 PolarHBondContact O-N 2.87Å; L271-D273 VanDerWaalsContact C-N 3.3Å; L271-D273 PolarHBondContact O-N 3.42Å; L271-I274 PolarHBondContact O-N 3.17Å; L271-I275 WeakPolarHBondContact O-CD1 3.14Å; L271-I275 WeakPolarHBondContact O-CG1 3.4Å; L271-I275 PolarHBondContact O-N 3.49Å; L271-M308 HydrophobicContact CD2-SD 3.77Å; L271-M308 HydrophobicContact CG-SD 4.22Å
272A93.9Very high92Very high13 Ų1335.6 Ų35.611%0.10717%0.167CC..Hα-helixtrans-61.5-38.4175.100000112A41 L54 T268 H269 K270 K276A41-A272 HydrophobicContact CB-CB 4.19Å; L54-A272 HydrophobicContact CD1-CB 3.67Å; T268-A272 PolarHBondContact O-N 3.06Å; H269-A272 WeakPolarHBondContact O-CB 3.46Å; H269-A272 PolarHBondContact O-N 3.4Å; K270-A272 VanDerWaalsContact C-N 3.32Å; A272-K276 VanDerWaalsContact O-CG 3.27Å; A272-K276 WeakPolarHBondContact O-CG 3.43Å; A272-K276 PolarHBondContact O-N 3.03Å; A272-K276 VanDerWaalsContact O-N 3.09Å
273D94.1Very high92.9Very high54 Ų5438.9 Ų38.929%0.28918%0.179SC..Hα-helixtrans-69-39.7174.2-57.1-27.4000112.5H269 K270 L271 K276 A277 H304H269-D273 PolarHBondContact O-N 2.87Å; K270-D273 PolarHBondContact O-N 2.93Å; L271-D273 VanDerWaalsContact C-N 3.3Å; L271-D273 PolarHBondContact O-N 3.42Å; D273-K276 PolarHBondContact O-N 3.42Å; D273-A277 PolarHBondContact O-N 3.33Å; D273-H304 VanDerWaalsContact CB-CE1 3.44Å; D273-H304 WeakPolarHBondContact CB-CE1 3.39Å; D273-H304 WeakPolarHBondContact CB-ND1 3.39Å; D273-H304 IonicContact OD2-CE1 2.65Å; D273-H304 IonicContact OD2-ND1 3.2Å
274I95.4Very high93.3Very high0 Ų036.5 Ų36.50%017%0.167CC..Hα-helixtrans-59.6-48175.5-69.6167.7000110.1L244 K270 L271 K276 A277 N278 L301 H304 V305 M308L244-I274 HydrophobicContact CD2-CD1 4.06Å; L244-I274 HydrophobicContact CD2-CG2 4.1Å; K270-I274 WeakPolarHBondContact O-CG1 3.42Å; K270-I274 PolarHBondContact O-N 3.26Å; L271-I274 PolarHBondContact O-N 3.17Å; I274-K276 VanDerWaalsContact C-N 3.33Å; I274-K276 PolarHBondContact O-N 2.71Å; I274-A277 PolarHBondContact O-N 3.27Å; I274-N278 WeakPolarHBondContact O-CB 3.36Å; I274-N278 PolarHBondContact O-N 2.99Å; I274-L301 HydrophobicContact CG2-CD1 4.1Å; I274-H304 HydrophobicContact CG1-CB 3.76Å; I274-V305 HydrophobicContact CD1-CG2 4.32Å; I274-V305 HydrophobicContact CG1-CG2 4.39Å; I274-V305 HydrophobicContact CG2-CG2 4.28Å; I274-M308 HydrophobicContact CD1-CB 4.13Å; I274-M308 HydrophobicContact CD1-CE 4.39Å; I274-M308 HydrophobicContact CD1-CG 4.43Å; I274-M308 HydrophobicContact CD1-SD 3.65Å
275I94.7Very high93.4Very high1 Ų138.7 Ų38.71%0.00518%0.177CC..Hα-helixtrans-62-41.1179-67.8157.7000110.9I38 K39 A41 L54 V85 L271 N278 N279I38-I275 HydrophobicContact CG2-CD1 3.55Å; K39-I275 VanDerWaalsContact O-CG2 3.27Å; K39-I275 WeakPolarHBondContact O-CG2 3.33Å; A41-I275 HydrophobicContact CB-CB 4.36Å; A41-I275 HydrophobicContact CB-CG2 4.15Å; L54-I275 HydrophobicContact CD1-CD1 4.07Å; L54-I275 HydrophobicContact CD2-CD1 3.75Å; L54-I275 HydrophobicContact CG-CD1 3.86Å; V85-I275 HydrophobicContact CG2-CG1 4.12Å; L271-I275 WeakPolarHBondContact O-CD1 3.14Å; L271-I275 WeakPolarHBondContact O-CG1 3.4Å; L271-I275 PolarHBondContact O-N 3.49Å; I275-N278 PolarHBondContact O-N 2.87Å; I275-N279 VanDerWaalsContact O-CB 3.27Å; I275-N279 WeakPolarHBondContact O-CB 3.44Å; I275-N279 PolarHBondContact O-N 3.07Å; I275-N279 PolarHBondContact O-ND2 3.03Å
276K95Very high93.4Very high120 Ų12044 Ų4452%0.52220%0.201SC..Hα-helixtrans-62.1-51.4175.9-75169.9-177178.50112.4A41 A272 D273 I274 N278 N279 Q280A41-K276 HydrophobicContact CB-CG 3.97Å; A272-K276 VanDerWaalsContact O-CG 3.27Å; A272-K276 WeakPolarHBondContact O-CG 3.43Å; A272-K276 PolarHBondContact O-N 3.03Å; A272-K276 VanDerWaalsContact O-N 3.09Å; D273-K276 PolarHBondContact O-N 3.42Å; I274-K276 VanDerWaalsContact C-N 3.33Å; I274-K276 PolarHBondContact O-N 2.71Å; K276-N278 VanDerWaalsContact C-N 3.29Å; K276-N278 PolarHBondContact O-N 2.86Å; K276-N279 PolarHBondContact O-N 2.9Å; K276-Q280 WeakPolarHBondContact O-CB 3.35Å; K276-Q280 PolarHBondContact O-N 3.42Å
277A94.9Very high93.5Very high1 Ų149.4 Ų49.41%0.00823%0.23CC..Hα-helixtrans-61.5-39.3178.300000111.6D273 I274 Q280 L281 M300 L301D273-A277 PolarHBondContact O-N 3.33Å; I274-A277 PolarHBondContact O-N 3.27Å; A277-Q280 PolarHBondContact O-N 3.04Å; A277-L281 WeakPolarHBondContact O-CB 3.17Å; A277-L281 PolarHBondContact O-N 3.17Å; A277-M300 HydrophobicContact CB-CG 4.32Å; A277-L301 HydrophobicContact CB-CD1 4.3Å
278N95.3Very high93.2Very high4 Ų452.2 Ų52.22%0.02126%0.261CS..Hα-helixtrans-67.1-42.6177.5-166.459.5000112.7E86 L87 A88 I274 I275 K276 Q280 R282 L301E86-N278 PolarHBondContact O-ND2 3.42Å; L87-N278 VanDerWaalsContact CA-OD1 3.31Å; L87-N278 WeakPolarHBondContact CA-OD1 3.2Å; A88-N278 PolarHBondContact N-OD1 3.05Å; I274-N278 WeakPolarHBondContact O-CB 3.36Å; I274-N278 PolarHBondContact O-N 2.99Å; I275-N278 PolarHBondContact O-N 2.87Å; K276-N278 VanDerWaalsContact C-N 3.29Å; K276-N278 PolarHBondContact O-N 2.86Å; N278-Q280 VanDerWaalsContact C-N 3.33Å; N278-R282 VanDerWaalsContact O-CB 3.28Å; N278-R282 WeakPolarHBondContact O-CB 3.45Å; N278-R282 PolarHBondContact O-N 2.91Å; N278-L301 HydrophobicContact CB-CD1 4.01Å
279N93.8Very high93.1Very high53 Ų5353.3 Ų53.328%0.28327%0.269SS..Hα-helixtrans-74.2-22.6176.8-69.9-10.6000112.8K39 I275 K276 R283K39-N279 PolarHBondContact O-ND2 3.13Å; I275-N279 VanDerWaalsContact O-CB 3.27Å; I275-N279 WeakPolarHBondContact O-CB 3.44Å; I275-N279 PolarHBondContact O-N 3.07Å; I275-N279 PolarHBondContact O-ND2 3.03Å; K276-N279 PolarHBondContact O-N 2.9Å; N279-R283 VanDerWaalsContact O-CG 3.27Å; N279-R283 WeakPolarHBondContact O-CG 3.4Å; N279-R283 PolarHBondContact O-N 3.5Å; N279-R283 PolarHBondContact O-NE 2.98Å
280Q93.7Very high92.9Very high70 Ų7051.8 Ų51.833%0.32727%0.271SS..Hα-helixtrans-69-63.2167.4-179.3170.7-33.900109.3K276 A277 N278 R282 R283 D284 D297K276-Q280 WeakPolarHBondContact O-CB 3.35Å; K276-Q280 PolarHBondContact O-N 3.42Å; A277-Q280 PolarHBondContact O-N 3.04Å; N278-Q280 VanDerWaalsContact C-N 3.33Å; Q280-R282 PolarHBondContact O-N 2.97Å; Q280-R282 VanDerWaalsContact O-N 3.08Å; Q280-R283 WeakPolarHBondContact O-CA 3.32Å; Q280-R283 WeakPolarHBondContact O-CB 3.41Å; Q280-R283 PolarHBondContact O-N 3.17Å; Q280-D284 WeakPolarHBondContact CG-OD2 3.34Å; Q280-D284 PolarHBondContact O-N 3.01Å; Q280-D284 VanDerWaalsContact O-OD2 3.06Å; Q280-D297 PolarHBondContact NE2-OD1 2.76Å
281L93.6Very high92.6Very high0 Ų055.4 Ų55.40%030%0.302CS..Hα-helixtrans-47.1-45176.7178.857000113.1A88 K89 A277 R283 D284 E285 I294 D297 I298 L301A88-L281 HydrophobicContact CB-CB 4.46Å; A88-L281 HydrophobicContact CB-CD2 4.05Å; A88-L281 HydrophobicContact CB-CG 4Å; K89-L281 HydrophobicContact CB-CD2 4.22Å; K89-L281 HydrophobicContact CG-CD2 4.12Å; A277-L281 WeakPolarHBondContact O-CB 3.17Å; A277-L281 PolarHBondContact O-N 3.17Å; L281-R283 PolarHBondContact O-N 3.16Å; L281-D284 PolarHBondContact O-N 3.39Å; L281-E285 VanDerWaalsContact O-CB 3.29Å; L281-E285 WeakPolarHBondContact O-CB 3.12Å; L281-E285 PolarHBondContact O-N 3.01Å; L281-I294 HydrophobicContact CD1-CG2 3.93Å; L281-D297 HydrophobicContact CB-CB 4.05Å; L281-D297 HydrophobicContact CD1-CB 3.8Å; L281-D297 HydrophobicContact CG-CB 4.43Å; L281-I298 HydrophobicContact CD1-CG1 3.89Å; L281-I298 HydrophobicContact CD2-CG1 3.8Å; L281-L301 HydrophobicContact CD2-CD2 3.86Å
282R92.9Very high92.3Very high111 Ų11161.2 Ų61.242%0.41933%0.328SS..Hα-helixtrans-65.2-36.7178.5-168.1173-173.7154.24.6113.3A88 N278 Q280 Q286A88-R282 HydrophobicContact CB-CB 4.01Å; N278-R282 VanDerWaalsContact O-CB 3.28Å; N278-R282 WeakPolarHBondContact O-CB 3.45Å; N278-R282 PolarHBondContact O-N 2.91Å; Q280-R282 PolarHBondContact O-N 2.97Å; Q280-R282 VanDerWaalsContact O-N 3.08Å; R282-Q286 WeakPolarHBondContact O-CB 3.16Å; R282-Q286 WeakPolarHBondContact O-CG 3.25Å; R282-Q286 PolarHBondContact O-N 3.4Å; R282-Q286 VanDerWaalsContact O-N 3.16Å
283R93Very high92.1Very high138 Ų13863.7 Ų63.752%0.52134%0.339SS..Hα-helixtrans-72.8-42.9175.4-76.6178.8-62.6146.37.8110.8N279 Q280 L281 Q286 N287N279-R283 VanDerWaalsContact O-CG 3.27Å; N279-R283 WeakPolarHBondContact O-CG 3.4Å; N279-R283 PolarHBondContact O-N 3.5Å; N279-R283 PolarHBondContact O-NE 2.98Å; Q280-R283 WeakPolarHBondContact O-CA 3.32Å; Q280-R283 WeakPolarHBondContact O-CB 3.41Å; Q280-R283 PolarHBondContact O-N 3.17Å; L281-R283 PolarHBondContact O-N 3.16Å; R283-Q286 CarbonylContact O-C 3.59Å; R283-Q286 PolarHBondContact O-N 3.46Å; R283-N287 VanDerWaalsContact O-CB 3.31Å; R283-N287 WeakPolarHBondContact O-CB 3.41Å; R283-N287 PolarHBondContact O-N 2.83Å; R283-N287 PolarHBondContact O-ND2 2.98Å; R283-N287 VanDerWaalsContact O-ND2 3.16Å
284D92.8Very high92Very high38 Ų3862.6 Ų62.620%0.20333%0.333CS..Hα-helixtrans-71.6-33.7-176.5-62.4-45.4000111.5Q280 L281 G288 A289Q280-D284 WeakPolarHBondContact CG-OD2 3.34Å; Q280-D284 PolarHBondContact O-N 3.01Å; Q280-D284 VanDerWaalsContact O-OD2 3.06Å; L281-D284 PolarHBondContact O-N 3.39Å; D284-G288 PolarHBondContact O-N 2.68Å; D284-A289 HydrophobicContact CB-CB 3.9Å; D284-A289 WeakPolarHBondContact O-CB 3.49Å; D284-A289 PolarHBondContact O-N 3.1Å
285E89.7Confident91.7Very high75 Ų7565.2 Ų65.235%0.3536%0.355SS..Hα-helixtrans-64.3-44.2166.2-177.3167.2-152.800112.4K89 L281 N287 G288K89-E285 VanDerWaalsContact CE-CD 3.46Å; K89-E285 WeakPolarHBondContact CE-OE1 3.49Å; K89-E285 WeakPolarHBondContact CE-OE2 3.48Å; K89-E285 IonicContact NZ-OE1 3.75Å; K89-E285 PolarHBondContact NZ-OE1 3.23Å; K89-E285 IonicContact NZ-OE2 2.76Å; L281-E285 VanDerWaalsContact O-CB 3.29Å; L281-E285 WeakPolarHBondContact O-CB 3.12Å; L281-E285 PolarHBondContact O-N 3.01Å; E285-N287 VanDerWaalsContact C-N 3.32Å; E285-N287 PolarHBondContact O-N 3.38Å; E285-G288 PolarHBondContact O-N 3.17Å
286Q91.1Very high91.5Very high140 Ų14071.5 Ų71.565%0.65438%0.384SS*.Hα-helixtrans-65.7-32.3177-77.8173.5-15.400113.5R282 R283 G288R282-Q286 WeakPolarHBondContact O-CB 3.16Å; R282-Q286 WeakPolarHBondContact O-CG 3.25Å; R282-Q286 PolarHBondContact O-N 3.4Å; R282-Q286 VanDerWaalsContact O-N 3.16Å; R283-Q286 CarbonylContact O-C 3.59Å; R283-Q286 PolarHBondContact O-N 3.46Å; Q286-G288 VanDerWaalsContact C-N 3.26Å; Q286-G288 PolarHBondContact O-N 3.29Å
287N92.7Very high91.4Very high126 Ų12666.2 Ų66.267%0.67436%0.361SS*.THydrogen-bonded Turntrans-79.3-6.2177.2-67.7-24.6000113R283 E285R283-N287 VanDerWaalsContact O-CB 3.31Å; R283-N287 WeakPolarHBondContact O-CB 3.41Å; R283-N287 PolarHBondContact O-N 2.83Å; R283-N287 PolarHBondContact O-ND2 2.98Å; R283-N287 VanDerWaalsContact O-ND2 3.16Å; E285-N287 VanDerWaalsContact C-N 3.32Å; E285-N287 PolarHBondContact O-N 3.38Å
288G87.6Confident91.4Very high66 Ų6668.8 Ų68.868%0.6838%0.375SS*.THydrogen-bonded Turntrans7036.1-175.700000113.5D284 E285 Q286D284-G288 PolarHBondContact O-N 2.68Å; E285-G288 PolarHBondContact O-N 3.17Å; Q286-G288 VanDerWaalsContact C-N 3.26Å; Q286-G288 PolarHBondContact O-N 3.29Å
289A89.2Confident91.2Very high25 Ų2574.2 Ų74.221%0.20740%0.398CS..  trans-58.5155.1178.500000112.4D284 I294D284-A289 HydrophobicContact CB-CB 3.9Å; D284-A289 WeakPolarHBondContact O-CB 3.49Å; D284-A289 PolarHBondContact O-N 3.1Å; A289-I294 HydrophobicContact CB-CG1 4.3Å; A289-I294 WeakPolarHBondContact O-CD1 3.07Å
290A88.1Confident91.1Very high47 Ų4775.6 Ų75.639%0.38840%0.404SS..  trans-60.5140.7-179.800000111.6H292 I293 I294A290-H292 PolarHBondContact O-N 2.69Å; A290-I293 HydrophobicContact CB-CD1 4.36Å; A290-I293 HydrophobicContact CB-CG1 4.42Å; A290-I293 WeakPolarHBondContact O-CB 3.47Å; A290-I293 PolarHBondContact O-N 3.07Å; A290-I294 PolarHBondContact O-N 2.94Å
291A87.3Confident91.1Very high82 Ų8272.3 Ų72.368%0.67839%0.389SS*.Hα-helixtrans-56.6-24.6-172.700000114.9A295A291-A295 WeakPolarHBondContact O-CB 3.49Å; A291-A295 PolarHBondContact O-N 2.89Å
292H88.7Confident91.1Very high121 Ų12173.1 Ų73.156%0.5639%0.392SS*.Hα-helixtrans-69.7-39.7174.570.3-92.1000112.5A290 A295 E296A290-H292 PolarHBondContact O-N 2.69Å; H292-A295 PolarHBondContact O-N 2.92Å; H292-E296 WeakPolarHBondContact O-CG 3.29Å; H292-E296 PolarHBondContact O-N 2.95Å
293I91.4Very high91.2Very high65 Ų6569.9 Ų69.933%0.33338%0.381SS..Hα-helixtrans-64-49176.6-53.6179000109A290 A295 E296 D297A290-I293 HydrophobicContact CB-CD1 4.36Å; A290-I293 HydrophobicContact CB-CG1 4.42Å; A290-I293 WeakPolarHBondContact O-CB 3.47Å; A290-I293 PolarHBondContact O-N 3.07Å; I293-A295 VanDerWaalsContact C-N 3.25Å; I293-A295 PolarHBondContact O-N 3.22Å; I293-E296 WeakPolarHBondContact O-CB 3.4Å; I293-E296 PolarHBondContact O-N 2.95Å; I293-D297 PolarHBondContact O-N 3.04Å
294I91Very high91.3Very high31 Ų3164.4 Ų64.416%0.15936%0.361CS..Hα-helixtrans-56.9-40.2176.2-62.3177.8000110.9L281 A289 A290 D297 I298L281-I294 HydrophobicContact CD1-CG2 3.93Å; A289-I294 HydrophobicContact CB-CG1 4.3Å; A289-I294 WeakPolarHBondContact O-CD1 3.07Å; A290-I294 PolarHBondContact O-N 2.94Å; I294-D297 PolarHBondContact O-N 2.67Å; I294-I298 HydrophobicContact CG2-CD1 3.87Å; I294-I298 HydrophobicContact CG2-CG1 4.48Å; I294-I298 WeakPolarHBondContact O-CB 3.38Å; I294-I298 WeakPolarHBondContact O-CD1 3.38Å; I294-I298 WeakPolarHBondContact O-CG1 3.48Å; I294-I298 PolarHBondContact O-N 3.28Å
295A89.3Confident91.4Very high55 Ų5562.7 Ų62.746%0.45535%0.352SS..Hα-helixtrans-67.3-36.8176.100000113.3A291 H292 I293 K299A291-A295 WeakPolarHBondContact O-CB 3.49Å; A291-A295 PolarHBondContact O-N 2.89Å; H292-A295 PolarHBondContact O-N 2.92Å; I293-A295 VanDerWaalsContact C-N 3.25Å; I293-A295 PolarHBondContact O-N 3.22Å; A295-K299 WeakPolarHBondContact O-CB 3.37Å; A295-K299 PolarHBondContact O-N 3.17Å
296E91.2Very high91.6Very high133 Ų13359.1 Ų59.162%0.62134%0.336SS*.Hα-helixtrans-67.6-43173.9-73.3-179.7-172.800111.9H292 I293 K299 M300H292-E296 WeakPolarHBondContact O-CG 3.29Å; H292-E296 PolarHBondContact O-N 2.95Å; I293-E296 WeakPolarHBondContact O-CB 3.4Å; I293-E296 PolarHBondContact O-N 2.95Å; E296-K299 CarbonylContact O-C 3.54Å; E296-K299 WeakPolarHBondContact O-CB 3.46Å; E296-K299 PolarHBondContact O-N 2.64Å; E296-M300 PolarHBondContact O-N 2.77Å
297D93Very high91.7Very high9 Ų952.8 Ų52.85%0.04831%0.307CS..Hα-helixtrans-65.6-41.2176.2-75.2-40.1000112.3Q280 L281 I293 I294 K299 M300 L301Q280-D297 PolarHBondContact NE2-OD1 2.76Å; L281-D297 HydrophobicContact CB-CB 4.05Å; L281-D297 HydrophobicContact CD1-CB 3.8Å; L281-D297 HydrophobicContact CG-CB 4.43Å; I293-D297 PolarHBondContact O-N 3.04Å; I294-D297 PolarHBondContact O-N 2.67Å; D297-K299 VanDerWaalsContact C-N 3.29Å; D297-K299 PolarHBondContact O-N 3.43Å; D297-M300 PolarHBondContact O-N 3.03Å; D297-L301 WeakPolarHBondContact O-CB 3.39Å; D297-L301 PolarHBondContact O-N 2.78Å
298I93.1Very high91.8Very high55 Ų5547.3 Ų47.328%0.28228%0.277SS..Hα-helixtrans-58.3-43.5171-71.9164.7000110.3K89 L281 I294 L301 Q302K89-I298 HydrophobicContact CB-CD1 4.43Å; K89-I298 HydrophobicContact CB-CG1 4.17Å; K89-I298 HydrophobicContact CG-CD1 3.96Å; K89-I298 HydrophobicContact CG-CG1 4.01Å; L281-I298 HydrophobicContact CD1-CG1 3.89Å; L281-I298 HydrophobicContact CD2-CG1 3.8Å; I294-I298 HydrophobicContact CG2-CD1 3.87Å; I294-I298 HydrophobicContact CG2-CG1 4.48Å; I294-I298 WeakPolarHBondContact O-CB 3.38Å; I294-I298 WeakPolarHBondContact O-CD1 3.38Å; I294-I298 WeakPolarHBondContact O-CG1 3.48Å; I294-I298 PolarHBondContact O-N 3.28Å; I298-L301 PolarHBondContact O-N 3.4Å; I298-Q302 VanDerWaalsContact O-CB 3.25Å; I298-Q302 WeakPolarHBondContact O-CB 3.33Å; I298-Q302 PolarHBondContact O-N 2.89Å
299K91.3Very high92Very high119 Ų11945 Ų4552%0.51725%0.25SC..Hα-helixtrans-66.8-37.1178.8-175.6168.1179.6160.60112E188 A295 E296 D297 F303E188-K299 VanDerWaalsContact OE1-CE 3.3Å; E188-K299 WeakPolarHBondContact OE1-CE 3.49Å; E188-K299 IonicContact OE1-NZ 3.86Å; E188-K299 PolarHBondContact OE1-NZ 3.14Å; A295-K299 WeakPolarHBondContact O-CB 3.37Å; A295-K299 PolarHBondContact O-N 3.17Å; E296-K299 CarbonylContact O-C 3.54Å; E296-K299 WeakPolarHBondContact O-CB 3.46Å; E296-K299 PolarHBondContact O-N 2.64Å; D297-K299 VanDerWaalsContact C-N 3.29Å; D297-K299 PolarHBondContact O-N 3.43Å; K299-F303 WeakPolarHBondContact O-CB 3.42Å; K299-F303 PolarHBondContact O-N 3.3Å
300M92.7Very high92.2Very high82 Ų8244.7 Ų44.740%0.40425%0.245SC..Hα-helixtrans-64.6-50.2172.2-175171179.200111A277 E296 D297 Q302 F303 H304A277-M300 HydrophobicContact CB-CG 4.32Å; E296-M300 PolarHBondContact O-N 2.77Å; D297-M300 PolarHBondContact O-N 3.03Å; M300-Q302 VanDerWaalsContact C-N 3.34Å; M300-Q302 PolarHBondContact O-N 3.27Å; M300-F303 WeakPolarHBondContact O-CB 3.43Å; M300-F303 PolarHBondContact O-N 3.42Å; M300-F303 VanDerWaalsContact O-N 3.09Å; M300-H304 PolarHBondContact O-CD2 2.94Å; M300-H304 VanDerWaalsContact O-CD2 3.24Å; M300-H304 PolarHBondContact O-N 3.05Å
301L94.3Very high92.4Very high1 Ų142.7 Ų42.71%0.00523%0.227CC..Hα-helixtrans-57.6-46.5176.7-176.561.3000111.6L87 V91 I274 A277 N278 L281 D297 I298 F303 H304 V305L87-L301 HydrophobicContact CD2-CD1 4.37Å; L87-L301 HydrophobicContact CD2-CD2 4.46Å; V91-L301 HydrophobicContact CG2-CD2 4.1Å; V91-L301 HydrophobicContact CG2-CG 4.15Å; I274-L301 HydrophobicContact CG2-CD1 4.1Å; A277-L301 HydrophobicContact CB-CD1 4.3Å; N278-L301 HydrophobicContact CB-CD1 4.01Å; L281-L301 HydrophobicContact CD2-CD2 3.86Å; D297-L301 WeakPolarHBondContact O-CB 3.39Å; D297-L301 PolarHBondContact O-N 2.78Å; I298-L301 PolarHBondContact O-N 3.4Å; L301-F303 VanDerWaalsContact C-N 3.32Å; L301-F303 PolarHBondContact O-N 2.7Å; L301-H304 PolarHBondContact O-N 3.44Å; L301-V305 HydrophobicContact CD1-CG2 4.32Å; L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L301-V305 PolarHBondContact O-N 3.24Å
302Q93.4Very high92.5Very high17 Ų1743.3 Ų43.38%0.07922%0.216CC..Hα-helixtrans-57.2-41.8174.1175.969.571.600112.1V91 F92 L187 I298 M300 T306V91-Q302 HydrophobicContact CG1-CB 4.22Å; V91-Q302 HydrophobicContact CG1-CG 4.45Å; F92-Q302 PolarHBondContact O-NE2 3.03Å; L187-Q302 HydrophobicContact CB-CG 4.25Å; L187-Q302 HydrophobicContact CD1-CG 4.16Å; I298-Q302 VanDerWaalsContact O-CB 3.25Å; I298-Q302 WeakPolarHBondContact O-CB 3.33Å; I298-Q302 PolarHBondContact O-N 2.89Å; M300-Q302 VanDerWaalsContact C-N 3.34Å; M300-Q302 PolarHBondContact O-N 3.27Å; Q302-T306 PolarHBondContact NE2-OG1 3.49Å; Q302-T306 VanDerWaalsContact NE2-OG1 3.16Å; Q302-T306 VanDerWaalsContact O-CB 3.24Å; Q302-T306 WeakPolarHBondContact O-CB 3.36Å; Q302-T306 PolarHBondContact O-N 3.18Å; Q302-T306 PolarHBondContact O-OG1 3.01Å
303F94.2Very high92.5Very high43 Ų4338.5 Ų38.519%0.18920%0.195CC..Hα-helixtrans-64-45.1175.2172.1-103.2000112.3K299 M300 L301 T306 T307 P317K299-F303 WeakPolarHBondContact O-CB 3.42Å; K299-F303 PolarHBondContact O-N 3.3Å; M300-F303 WeakPolarHBondContact O-CB 3.43Å; M300-F303 PolarHBondContact O-N 3.42Å; M300-F303 VanDerWaalsContact O-N 3.09Å; L301-F303 VanDerWaalsContact C-N 3.32Å; L301-F303 PolarHBondContact O-N 2.7Å; F303-T306 PolarHBondContact O-N 2.88Å; F303-T307 HydrophobicContact CD2-CG2 4.13Å; F303-T307 HydrophobicContact CE2-CG2 3.64Å; F303-T307 HydrophobicContact CZ-CG2 3.9Å; F303-T307 PolarHBondContact O-N 3.37Å; F303-T307 PolarHBondContact O-OG1 2.9Å; F303-P317 HydrophobicContact CE2-CG 3.85Å; F303-P317 VanDerWaalsContact CE2-O 3.29Å; F303-P317 WeakPolarHBondContact CE2-O 3.44Å; F303-P317 HydrophobicContact CZ-CG 4.05Å; F303-P317 WeakPolarHBondContact CZ-O 3.49Å
304H94.8Very high92.2Very high22 Ų2240.9 Ų40.910%0.10222%0.215CC..Hα-helixtrans-67.8-43-179.4-79.5-94.2000112.7K270 D273 I274 M300 L301 T307 M308K270-H304 WeakPolarHBondContact CE-O 3.41Å; K270-H304 PolarHBondContact NZ-ND1 3.46Å; D273-H304 VanDerWaalsContact CB-CE1 3.44Å; D273-H304 WeakPolarHBondContact CB-CE1 3.39Å; D273-H304 WeakPolarHBondContact CB-ND1 3.39Å; D273-H304 IonicContact OD2-CE1 2.65Å; D273-H304 IonicContact OD2-ND1 3.2Å; I274-H304 HydrophobicContact CG1-CB 3.76Å; M300-H304 PolarHBondContact O-CD2 2.94Å; M300-H304 VanDerWaalsContact O-CD2 3.24Å; M300-H304 PolarHBondContact O-N 3.05Å; L301-H304 PolarHBondContact O-N 3.44Å; H304-T307 PolarHBondContact O-OG1 3.01Å; H304-M308 PolarHBondContact O-N 3.4Å; H304-M308 VanDerWaalsContact O-N 3.16Å
305V94.6Very high91.9Very high2 Ų243.3 Ų43.31%0.01225%0.248CC..Hα-helixtrans-62.7-43.3173.7173.60000110.9V91 L244 I274 L301 M308V91-V305 HydrophobicContact CG1-CB 4.01Å; V91-V305 HydrophobicContact CG1-CG1 4.01Å; V91-V305 HydrophobicContact CG1-CG2 4.34Å; L244-V305 HydrophobicContact CD1-CG1 4.4Å; I274-V305 HydrophobicContact CD1-CG2 4.32Å; I274-V305 HydrophobicContact CG1-CG2 4.39Å; I274-V305 HydrophobicContact CG2-CG2 4.28Å; L301-V305 HydrophobicContact CD1-CG2 4.32Å; L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L301-V305 PolarHBondContact O-N 3.24Å; V305-M308 PolarHBondContact O-N 3.26Å
306T94.2Very high91.7Very high1 Ų142.7 Ų42.71%0.00624%0.236CC..Hα-helixtrans-59.7-51.6177.7-59.90000111.9I94 L187 Q302 F303 M308 V309 D310 V313 L316I94-T306 HydrophobicContact CB-CG2 3.74Å; I94-T306 HydrophobicContact CD1-CG2 4.11Å; I94-T306 HydrophobicContact CG1-CG2 3.72Å; I94-T306 HydrophobicContact CG2-CG2 4.05Å; L187-T306 HydrophobicContact CD2-CG2 3.96Å; Q302-T306 PolarHBondContact NE2-OG1 3.49Å; Q302-T306 VanDerWaalsContact NE2-OG1 3.16Å; Q302-T306 VanDerWaalsContact O-CB 3.24Å; Q302-T306 WeakPolarHBondContact O-CB 3.36Å; Q302-T306 PolarHBondContact O-N 3.18Å; Q302-T306 PolarHBondContact O-OG1 3.01Å; F303-T306 PolarHBondContact O-N 2.88Å; T306-M308 VanDerWaalsContact C-N 3.26Å; T306-M308 PolarHBondContact O-N 3.1Å; T306-V309 PolarHBondContact O-N 3.35Å; T306-V309 VanDerWaalsContact O-N 3.08Å; T306-D310 PolarHBondContact O-N 3.18Å; T306-V313 HydrophobicContact CG2-CG2 4.1Å; T306-L316 HydrophobicContact CG2-CD1 4.26Å
307T93.8Very high91.7Very high6 Ų640.7 Ų40.74%0.03724%0.235CC..Hα-helixtrans-73.3-13.3-175.245.80000114.1K270 F303 H304 D310 A319K270-T307 WeakPolarHBondContact CE-OG1 3.49Å; K270-T307 PolarHBondContact NZ-OG1 3.44Å; F303-T307 HydrophobicContact CD2-CG2 4.13Å; F303-T307 HydrophobicContact CE2-CG2 3.64Å; F303-T307 HydrophobicContact CZ-CG2 3.9Å; F303-T307 PolarHBondContact O-N 3.37Å; F303-T307 PolarHBondContact O-OG1 2.9Å; H304-T307 PolarHBondContact O-OG1 3.01Å; T307-D310 WeakPolarHBondContact CA-O 3.34Å; T307-A319 HydrophobicContact CG2-CB 4.37Å
308M93.9Very high91.5Very high11 Ų1146.1 Ų46.15%0.05426%0.258CS..Hα-helixtrans-69.2-41166-172.1-176.371.600111.8L244 L267 K270 L271 I274 H304 V305 T306 S329 I330L244-M308 HydrophobicContact CD1-CE 3.96Å; L244-M308 HydrophobicContact CD2-CE 3.95Å; L244-M308 HydrophobicContact CG-CE 4.3Å; L267-M308 HydrophobicContact CD2-CG 4.27Å; K270-M308 HydrophobicContact CG-CB 3.91Å; K270-M308 HydrophobicContact CG-CG 4.29Å; L271-M308 HydrophobicContact CD2-SD 3.77Å; L271-M308 HydrophobicContact CG-SD 4.22Å; I274-M308 HydrophobicContact CD1-CB 4.13Å; I274-M308 HydrophobicContact CD1-CE 4.39Å; I274-M308 HydrophobicContact CD1-CG 4.43Å; I274-M308 HydrophobicContact CD1-SD 3.65Å; H304-M308 PolarHBondContact O-N 3.4Å; H304-M308 VanDerWaalsContact O-N 3.16Å; V305-M308 PolarHBondContact O-N 3.26Å; T306-M308 VanDerWaalsContact C-N 3.26Å; T306-M308 PolarHBondContact O-N 3.1Å; M308-S329 WeakPolarHBondContact O-CA 3.25Å; M308-S329 WeakPolarHBondContact O-CB 3.26Å; M308-I330 HydrophobicContact CE-CD1 4.46Å; M308-I330 PolarHBondContact O-N 3.04Å
309V93.3Very high91.5Very high17 Ų1744 Ų4410%0.10325%0.249CC..Hα-helixtrans-80.6-51.8-179.1-179.90000111.1I94 T306 K331I94-V309 HydrophobicContact CG2-CB 4Å; I94-V309 HydrophobicContact CG2-CG1 4Å; T306-V309 PolarHBondContact O-N 3.35Å; T306-V309 VanDerWaalsContact O-N 3.08Å; V309-K331 WeakPolarHBondContact O-CB 3.26Å; V309-K331 PolarHBondContact O-N 3.27Å
310D92.1Very high91.5Very high19 Ų1943.4 Ų43.410%0.10225%0.251CS..  trans-138.7111.1-178.6-169.8-12000110.7I94 T306 T307 E312 V313 K331I94-D310 HydrophobicContact CG2-CB 4.36Å; T306-D310 PolarHBondContact O-N 3.18Å; T307-D310 WeakPolarHBondContact CA-O 3.34Å; D310-E312 PolarHBondContact OD1-N 2.85Å; D310-V313 HydrophobicContact CB-CG2 3.88Å; D310-V313 WeakPolarHBondContact O-CG2 3.26Å; D310-K331 HydrophobicContact CB-CD 3.94Å; D310-K331 VanDerWaalsContact CG-CD 3.42Å; D310-K331 WeakPolarHBondContact OD2-CD 3.28Å; D310-K331 WeakPolarHBondContact OD2-CE 3.34Å; D310-K331 IonicContact OD2-NZ 3.6Å; D310-K331 PolarHBondContact OD2-NZ 3.2Å
311N92.4Very high91.2Very high5 Ų542 Ų423%0.02724%0.243CC..SBendtrans-94.46.8178.8-159.719.2000113.2A319 L327 S329N311-A319 PolarHBondContact ND2-O 3.43Å; N311-A319 PolarHBondContact OD1-N 2.92Å; N311-L327 PolarHBondContact ND2-O 2.94Å; N311-S329 PolarHBondContact N-OG 2.91Å
312E89.3Confident90.7Very high96 Ų9652.6 Ų52.645%0.44929%0.289SS..  trans-115.318.6-178.6-67.9179.217700112.8D310 Q332D310-E312 PolarHBondContact OD1-N 2.85Å; E312-Q332 PolarHBondContact OE1-NE2 3.47Å
313V88.7Confident90.3Very high20 Ų2056 Ų5612%0.12131%0.314CS..  trans-62.9122.5179.2-1800000110.6I94 T306 D310 G315 L316I94-V313 HydrophobicContact CD1-CG1 4.4Å; I94-V313 HydrophobicContact CD1-CG2 4.39Å; I94-V313 HydrophobicContact CG1-CG2 3.97Å; T306-V313 HydrophobicContact CG2-CG2 4.1Å; D310-V313 HydrophobicContact CB-CG2 3.88Å; D310-V313 WeakPolarHBondContact O-CG2 3.26Å; V313-G315 PolarHBondContact O-N 3.26Å; V313-L316 HydrophobicContact CB-CD1 3.98Å; V313-L316 HydrophobicContact CG1-CD1 3.75Å; V313-L316 HydrophobicContact CG1-CG 4.22Å; V313-L316 PolarHBondContact O-N 3.13Å
314P86.5Confident89.9Confident115 Ų11556 Ų5675%0.74733%0.327SS*.THydrogen-bonded Turntrans-66.6134-178.426.7-34.5000111.2
315G83.2Confident89.7Confident82 Ų8259.8 Ų59.885%0.84534%0.341SS*.THydrogen-bonded Turntrans88.44.3-178.700000115.3V313V313-G315 PolarHBondContact O-N 3.26Å
316L86.9Confident89.5Confident41 Ų4162.6 Ų62.622%0.21536%0.359CS..SBendtrans-115.3148.2172.3-65.2178000111.5L187 T306 V313L187-L316 HydrophobicContact CD1-CD1 3.73Å; L187-L316 HydrophobicContact CD1-CD2 3.87Å; L187-L316 HydrophobicContact CD1-CG 4.48Å; L187-L316 HydrophobicContact CD2-CD1 3.89Å; L187-L316 HydrophobicContact CG-CD1 3.8Å; L187-L316 HydrophobicContact CG-CD2 4.1Å; T306-L316 HydrophobicContact CG2-CD1 4.26Å; V313-L316 HydrophobicContact CB-CD1 3.98Å; V313-L316 HydrophobicContact CG1-CD1 3.75Å; V313-L316 HydrophobicContact CG1-CG 4.22Å; V313-L316 PolarHBondContact O-N 3.13Å
317P89.3Confident89.3Confident92 Ų9263.1 Ų63.160%0.59736%0.362SS*.PPolyproline II helixtrans-67.2138.1171.128.3-32.8000110.3F303F303-P317 HydrophobicContact CE2-CG 3.85Å; F303-P317 VanDerWaalsContact CE2-O 3.29Å; F303-P317 WeakPolarHBondContact CE2-O 3.44Å; F303-P317 HydrophobicContact CZ-CG 4.05Å; F303-P317 WeakPolarHBondContact CZ-O 3.49Å
318K90.4Very high89.2Confident122 Ų12268.4 Ų68.453%0.5338%0.384SS..PPolyproline II helixtrans-71.5133176.9-60-172178.3-178.90109.9I320K318-I320 PolarHBondContact O-N 3.07Å
319A91.4Very high89.1Confident10 Ų1068 Ų688%0.08338%0.382CS..PPolyproline II helixtrans-68.6118.6170.500000109.8T307 N311 L327T307-A319 HydrophobicContact CG2-CB 4.37Å; N311-A319 PolarHBondContact ND2-O 3.43Å; N311-A319 PolarHBondContact OD1-N 2.92Å; A319-L327 HydrophobicContact CB-CD1 4.23Å; A319-L327 PolarHBondContact O-N 3.26Å
320I92.2Very high89.1Confident108 Ų10870.3 Ų70.355%0.55439%0.393SS*.BIsolated β-bridgetrans-107.8150.9-178.355.7172.1000111.5K318 G324 R325K318-I320 PolarHBondContact O-N 3.07Å; I320-G324 WeakPolarHBondContact CG2-O 3.38Å; I320-R325 WeakPolarHBondContact CA-O 3.49Å
321Q85.8Confident89.1Confident53 Ų5371.2 Ų71.225%0.24840%0.396CS..  trans-77167.3165.8-160.2171.520.700109.8S323 G324 R325 L327Q321-S323 PolarHBondContact O-N 3.22Å; Q321-G324 PolarHBondContact O-N 3.08Å; Q321-R325 PolarHBondContact N-O 3.03Å; Q321-L327 HydrophobicContact CB-CD2 3.9Å; Q321-L327 HydrophobicContact CG-CD2 4.25Å
322K84.1Confident89Confident223 Ų22373.3 Ų73.397%0.9741%0.406SS*.THydrogen-bonded Turntrans-53.4-19.3175.3-65-173.1176.8-173.40114.8
323S85.5Confident89.2Confident87 Ų8771.4 Ų71.461%0.60840%0.395SS*.THydrogen-bonded Turntrans-88.73.9176.255.60000114.6Q321 R325Q321-S323 PolarHBondContact O-N 3.22Å; S323-R325 PolarHBondContact O-N 2.76Å
324G86.5Confident89.3Confident45 Ų4573 Ų7346%0.46440%0.402SS..SBendtrans77.3-11.5-173.600000114.7I320 Q321I320-G324 WeakPolarHBondContact CG2-O 3.38Å; Q321-G324 PolarHBondContact O-N 3.08Å
325R90.1Very high89.3Confident101 Ų10172 Ų7238%0.38139%0.386SS..PPolyproline II helixtrans-64.6131.8174.9-172.5-177.767.6113.87.8110.3D266 I320 Q321 S323D266-R325 IonicContact OD1-CZ 3.61Å; D266-R325 IonicContact OD1-NH2 2.78Å; D266-R325 PolarHBondContact OD1-NH2 2.6Å; D266-R325 IonicContact OD2-CZ 2.83Å; D266-R325 IonicContact OD2-NH1 3.47Å; D266-R325 PolarHBondContact OD2-NH1 3.48Å; D266-R325 IonicContact OD2-NH2 3.81Å; D266-R325 PolarHBondContact OD2-NH2 3.22Å; I320-R325 WeakPolarHBondContact CA-O 3.49Å; Q321-R325 PolarHBondContact N-O 3.03Å; S323-R325 PolarHBondContact O-N 2.76Å
326P89.7Confident89Confident60 Ų6069.4 Ų69.439%0.3936%0.359SS..BIsolated β-bridgetrans-64.4137.4173.427.1-34.3000111.1
327L90.7Very high88.7Confident13 Ų1369.8 Ų69.87%0.06836%0.359CS..PPolyproline II helixtrans-67.5138.2176.8-66.1171.6000110.8D266 K270 N311 A319 Q321 S329 Q332D266-L327 HydrophobicContact CB-CB 4.46Å; D266-L327 HydrophobicContact CB-CD2 3.95Å; K270-L327 HydrophobicContact CD-CD1 4.31Å; N311-L327 PolarHBondContact ND2-O 2.94Å; A319-L327 HydrophobicContact CB-CD1 4.23Å; A319-L327 PolarHBondContact O-N 3.26Å; Q321-L327 HydrophobicContact CB-CD2 3.9Å; Q321-L327 HydrophobicContact CG-CD2 4.25Å; L327-S329 PolarHBondContact O-N 3.47Å; L327-Q332 PolarHBondContact O-OE1 3.16Å
328K91.3Very high88.3Confident117 Ų11770 Ų7051%0.50937%0.369SS..  trans-7996.3177.4-71.6-173.6175-175.70112.2D266 R333D266-K328 PolarHBondContact OD2-N 3.41Å; K328-R333 PolarHBondContact O-NE 3.2Å
329S92.6Very high88.1Confident3 Ų364.3 Ų64.32%0.02134%0.344CS..  trans-61.5164173.460.20000113.7M308 N311 L327 K331 Q332 R333M308-S329 WeakPolarHBondContact O-CA 3.25Å; M308-S329 WeakPolarHBondContact O-CB 3.26Å; N311-S329 PolarHBondContact N-OG 2.91Å; L327-S329 PolarHBondContact O-N 3.47Å; S329-K331 VanDerWaalsContact C-N 3.33Å; S329-K331 PolarHBondContact O-N 3.05Å; S329-Q332 PolarHBondContact O-N 3.23Å; S329-Q332 VanDerWaalsContact OG-CD 3.29Å; S329-Q332 WeakPolarHBondContact OG-CG 3.35Å; S329-Q332 PolarHBondContact OG-OE1 3.27Å; S329-R333 WeakPolarHBondContact O-CG 3.33Å; S329-R333 PolarHBondContact O-N 3.18Å; S329-R333 VanDerWaalsContact O-N 3.14Å
330I93Very high88Confident65 Ų6570.7 Ų70.733%0.33337%0.367SS..Hα-helixtrans-58.4-44.5178.8-61.2173.3000110.9L267 M308 Q332 R333 L334L267-I330 HydrophobicContact CD1-CG1 4.39Å; L267-I330 HydrophobicContact CD2-CG1 3.97Å; M308-I330 HydrophobicContact CE-CD1 4.46Å; M308-I330 PolarHBondContact O-N 3.04Å; I330-Q332 VanDerWaalsContact C-N 3.34Å; I330-Q332 PolarHBondContact O-N 2.7Å; I330-R333 WeakPolarHBondContact O-CB 3.41Å; I330-R333 PolarHBondContact O-N 3.32Å; I330-R333 VanDerWaalsContact O-N 3.07Å; I330-L334 HydrophobicContact CG2-CD1 4.45Å; I330-L334 PolarHBondContact O-N 2.7Å
331K92Very high87.8Confident38 Ų3866.2 Ų66.217%0.16534%0.343CS..Hα-helixtrans-59.2-41.8177.7-175.9175.1-172.9167.60112.8V309 D310 S329 R333 L334 K335 V1426 D1427V309-K331 WeakPolarHBondContact O-CB 3.26Å; V309-K331 PolarHBondContact O-N 3.27Å; D310-K331 HydrophobicContact CB-CD 3.94Å; D310-K331 VanDerWaalsContact CG-CD 3.42Å; D310-K331 WeakPolarHBondContact OD2-CD 3.28Å; D310-K331 WeakPolarHBondContact OD2-CE 3.34Å; D310-K331 IonicContact OD2-NZ 3.6Å; D310-K331 PolarHBondContact OD2-NZ 3.2Å; S329-K331 VanDerWaalsContact C-N 3.33Å; S329-K331 PolarHBondContact O-N 3.05Å; K331-R333 VanDerWaalsContact C-N 3.3Å; K331-R333 PolarHBondContact O-N 2.87Å; K331-L334 PolarHBondContact O-N 2.78Å; K331-K335 VanDerWaalsContact O-CB 3.31Å; K331-K335 WeakPolarHBondContact O-CB 3.32Å; K331-K335 PolarHBondContact O-N 3.39Å; K331-V1426 HydrophobicContact CG-CB 4.12Å; K331-V1426 HydrophobicContact CG-CG1 4.07Å; K331-V1426 HydrophobicContact CG-CG2 4.03Å; K331-D1427 IonicContact NZ-OD1 3.79Å
332Q90.3Very high87.8Confident49 Ų4965.7 Ų65.723%0.22934%0.339CS..Hα-helixtrans-69.2-23.7176.9-72166-45.800113.3E312 L327 S329 I330E312-Q332 PolarHBondContact OE1-NE2 3.47Å; L327-Q332 PolarHBondContact O-OE1 3.16Å; S329-Q332 PolarHBondContact O-N 3.23Å; S329-Q332 VanDerWaalsContact OG-CD 3.29Å; S329-Q332 WeakPolarHBondContact OG-CG 3.35Å; S329-Q332 PolarHBondContact OG-OE1 3.27Å; I330-Q332 VanDerWaalsContact C-N 3.34Å; I330-Q332 PolarHBondContact O-N 2.7Å
333R92.4Very high87.8Confident56 Ų5656.5 Ų56.521%0.21131%0.308CS..Hα-helixtrans-73.7-31.1172.9-67.2175.3-175-133.2-12.7112.1V251 D265 K328 S329 I330 K331 G339 R340V251-R333 PolarHBondContact O-NH1 3.49Å; D265-R333 IonicContact OD1-CZ 3.54Å; D265-R333 IonicContact OD1-NH1 2.77Å; D265-R333 PolarHBondContact OD1-NH1 2.64Å; D265-R333 IonicContact OD1-NH2 3.26Å; D265-R333 PolarHBondContact OD1-NH2 3.05Å; D265-R333 IonicContact OD2-CZ 3.76Å; D265-R333 IonicContact OD2-NH1 3.47Å; D265-R333 PolarHBondContact OD2-NH1 2.93Å; D265-R333 IonicContact OD2-NH2 3.57Å; D265-R333 PolarHBondContact OD2-NH2 3.18Å; K328-R333 PolarHBondContact O-NE 3.2Å; S329-R333 WeakPolarHBondContact O-CG 3.33Å; S329-R333 PolarHBondContact O-N 3.18Å; S329-R333 VanDerWaalsContact O-N 3.14Å; I330-R333 WeakPolarHBondContact O-CB 3.41Å; I330-R333 PolarHBondContact O-N 3.32Å; I330-R333 VanDerWaalsContact O-N 3.07Å; K331-R333 VanDerWaalsContact C-N 3.3Å; K331-R333 PolarHBondContact O-N 2.87Å; R333-G339 CarbonylContact O-C 3.55Å; R333-G339 WeakPolarHBondContact O-CA 3.38Å; R333-R340 WeakPolarHBondContact O-CG 3.34Å; R333-R340 PolarHBondContact O-N 2.8Å
334L90.8Very high88Confident52 Ų5255.9 Ų55.927%0.27230%0.298SS..Hα-helixtrans-88.3-40.5-178.3-62.6176.9000113.2I330 K331 R340 V1426I330-L334 HydrophobicContact CG2-CD1 4.45Å; I330-L334 PolarHBondContact O-N 2.7Å; K331-L334 PolarHBondContact O-N 2.78Å; L334-R340 HydrophobicContact CD2-CB 4.25Å; L334-V1426 HydrophobicContact CB-CG2 3.71Å; L334-V1426 HydrophobicContact CD1-CG2 4.08Å
335K87.2Confident88.1Confident95 Ų9557.2 Ų57.241%0.41329%0.294SS..SBendtrans-77.9149.5-175.2-174.9-176.3174.2-169.10113.2K331 G339K331-K335 VanDerWaalsContact O-CB 3.31Å; K331-K335 WeakPolarHBondContact O-CB 3.32Å; K331-K335 PolarHBondContact O-N 3.39Å; K335-G339 WeakPolarHBondContact O-CA 3.34Å
336G77.4Confident87.9Confident27 Ų2755 Ų5528%0.27829%0.289SS..SBendtrans99.7178.1165.300000115.4A338 G339G336-A338 VanDerWaalsContact C-N 3.34Å; G336-A338 PolarHBondContact O-N 3.05Å; G336-G339 PolarHBondContact O-N 3.06Å
337K79.2Confident87.5Confident49 Ų4953.1 Ų53.121%0.21328%0.28CS..THydrogen-bonded Turntrans-62.1-39.1-179.9-177.3170.9172.7168.20112.4E1669 P1670 S1672K337-E1669 HydrophobicContact CD-CB 4.32Å; K337-E1669 VanDerWaalsContact NZ-CB 3.27Å; K337-E1669 IonicContact NZ-OE2 3.28Å; K337-E1669 PolarHBondContact NZ-OE2 2.91Å; K337-P1670 PolarHBondContact NZ-O 2.93Å; K337-S1672 WeakPolarHBondContact CE-OG 3.46Å; K337-S1672 PolarHBondContact NZ-OG 3.04Å
338A82.8Confident87.2Confident97 Ų9758.9 Ų58.980%0.80231%0.305SS*.THydrogen-bonded Turntrans-969175.100000113.9G336G336-A338 VanDerWaalsContact C-N 3.34Å; G336-A338 PolarHBondContact O-N 3.05Å
339G84.5Confident87Confident2 Ų259 Ų592%0.02130%0.302CS..SBendtrans-74.6154.7173.100000111.2R333 K335 G336 I341 R342 G343R333-G339 CarbonylContact O-C 3.55Å; R333-G339 WeakPolarHBondContact O-CA 3.38Å; K335-G339 WeakPolarHBondContact O-CA 3.34Å; G336-G339 PolarHBondContact O-N 3.06Å; G339-I341 VanDerWaalsContact C-N 3.28Å; G339-I341 PolarHBondContact O-N 2.87Å; G339-I341 VanDerWaalsContact O-N 3.14Å; G339-R342 PolarHBondContact O-N 3.41Å; G339-G343 PolarHBondContact O-N 3.47Å
340R90Very high86.8Confident145 Ų14561.3 Ų61.355%0.54732%0.315SS..Hα-helixtrans-51.3-42.8-172-67.3-52-167.2-179.45113.8R333 L334 N344 L345R333-R340 WeakPolarHBondContact O-CG 3.34Å; R333-R340 PolarHBondContact O-N 2.8Å; L334-R340 HydrophobicContact CD2-CB 4.25Å; R340-N344 WeakPolarHBondContact CD-OD1 3.38Å; R340-N344 PolarHBondContact NH1-OD1 3.49Å; R340-N344 WeakPolarHBondContact O-CA 3.39Å; R340-N344 WeakPolarHBondContact O-CB 3.17Å; R340-N344 PolarHBondContact O-N 2.86Å; R340-L345 PolarHBondContact O-N 3.04Å
341I89Confident86.7Confident13 Ų1363.8 Ų63.87%0.06733%0.329CS..Iπ-helixtrans-67-46.1-175.1-55.9-143.7000111.3G339 L345 M346 T1425 L1429 M1449G339-I341 VanDerWaalsContact C-N 3.28Å; G339-I341 PolarHBondContact O-N 2.87Å; G339-I341 VanDerWaalsContact O-N 3.14Å; I341-L345 HydrophobicContact CG1-CD1 4.42Å; I341-M346 WeakPolarHBondContact O-CB 3.46Å; I341-M346 VanDerWaalsContact O-CG 3.25Å; I341-M346 WeakPolarHBondContact O-CG 3.46Å; I341-M346 PolarHBondContact O-N 2.71Å; I341-T1425 HydrophobicContact CB-CG2 4.21Å; I341-T1425 HydrophobicContact CD1-CG2 3.59Å; I341-T1425 HydrophobicContact CG1-CG2 3.89Å; I341-L1429 HydrophobicContact CD1-CD1 4.17Å; I341-M1449 HydrophobicContact CG2-CE 3.6Å; I341-M1449 HydrophobicContact CG2-SD 3.99Å
342R85.1Confident86.8Confident42 Ų4265.1 Ų65.116%0.15834%0.335CS..Iπ-helixtrans-83.1-35.5-179.2-175.8165.9171.5-150.4-5113.9G339 G347 E1669 P1670G339-R342 PolarHBondContact O-N 3.41Å; R342-G347 PolarHBondContact O-N 3.36Å; R342-E1669 PolarHBondContact NH2-O 3.17Å; R342-P1670 VanDerWaalsContact NH2-C 3.28Å; R342-P1670 PolarHBondContact NH2-O 3.46Å
343G84.8Confident87Confident31 Ų3164.2 Ų64.232%0.3234%0.335SS..Iπ-helixtrans-105.8-0.1-170.900000116.1G339 G347G339-G343 PolarHBondContact O-N 3.47Å; G343-G347 CarbonylContact C-O 3.58Å; G343-G347 VanDerWaalsContact O-O 3.11Å
344N89.5Confident87.1Confident73 Ų7362.4 Ų62.439%0.3933%0.332SS..Iπ-helixtrans-131.1-36.1170.8-67107.3000113.7R340 G347R340-N344 WeakPolarHBondContact CD-OD1 3.38Å; R340-N344 PolarHBondContact NH1-OD1 3.49Å; R340-N344 WeakPolarHBondContact O-CA 3.39Å; R340-N344 WeakPolarHBondContact O-CB 3.17Å; R340-N344 PolarHBondContact O-N 2.86Å; N344-G347 CarbonylContact C-O 3.56Å; N344-G347 WeakPolarHBondContact CA-O 3.27Å; N344-G347 PolarHBondContact N-O 3.42Å
345L88.9Confident87.4Confident74 Ų7465.3 Ų65.339%0.38734%0.339SS..Iπ-helixtrans-90.4-58.3-179.2-56.1179.4000112.2R340 I341 G347 M1449R340-L345 PolarHBondContact O-N 3.04Å; I341-L345 HydrophobicContact CG1-CD1 4.42Å; L345-G347 VanDerWaalsContact C-N 3.3Å; L345-G347 PolarHBondContact O-N 3.28Å; L345-M1449 HydrophobicContact CB-CG 4.19Å; L345-M1449 HydrophobicContact CD1-CB 4.35Å; L345-M1449 HydrophobicContact CD1-CG 4.18Å; L345-M1449 HydrophobicContact CD1-SD 4.08Å
346M84.8Confident87.8Confident55 Ų5562.1 Ų62.127%0.27133%0.327SS..SBendtrans-71.8-23-179.8-63.3-77.589.700114.1I341 S1445 I1448 M1449I341-M346 WeakPolarHBondContact O-CB 3.46Å; I341-M346 VanDerWaalsContact O-CG 3.25Å; I341-M346 WeakPolarHBondContact O-CG 3.46Å; I341-M346 PolarHBondContact O-N 2.71Å; M346-S1445 WeakPolarHBondContact CE-O 3.09Å; M346-I1448 HydrophobicContact CE-CB 4.12Å; M346-I1448 HydrophobicContact CE-CG2 3.8Å; M346-M1449 HydrophobicContact CE-CE 3.92Å; M346-M1449 HydrophobicContact CE-CG 3.54Å; M346-M1449 HydrophobicContact SD-CE 4.2Å
347G81Confident88.7Confident20 Ų2063.3 Ų63.321%0.20633%0.329CS..SBendtrans-151.8134174.900000109R342 G343 N344 L345R342-G347 PolarHBondContact O-N 3.36Å; G343-G347 CarbonylContact C-O 3.58Å; G343-G347 VanDerWaalsContact O-O 3.11Å; N344-G347 CarbonylContact C-O 3.56Å; N344-G347 WeakPolarHBondContact CA-O 3.27Å; N344-G347 PolarHBondContact N-O 3.42Å; L345-G347 VanDerWaalsContact C-N 3.3Å; L345-G347 PolarHBondContact O-N 3.28Å
348K84.7Confident89.5Confident134 Ų13461.2 Ų61.258%0.58332%0.32SS*.  trans-133.5159.2-179.661.6-178.6-179.3-177.40109.8V350 V1673K348-V350 HydrophobicContact CG-CG1 4.27Å; K348-V1673 VanDerWaalsContact O-CG1 3.31Å; K348-V1673 WeakPolarHBondContact O-CG1 3.26Å
349R86.4Confident90.2Very high119 Ų11958.9 Ų58.945%0.44930%0.296SS..  trans-66.9146.1160.8-64.6-171-169.3172.69.3108.2V1673 G1674 Y1675 T1676R349-V1673 HydrophobicContact CG-CG1 4.14Å; R349-G1674 VanDerWaalsContact CZ-O 3.25Å; R349-G1674 PolarHBondContact NE-O 3.49Å; R349-G1674 PolarHBondContact NH2-O 2.9Å; R349-Y1675 HydrophobicContact CB-CE2 4.42Å; R349-Y1675 HydrophobicContact CG-CD2 4.43Å; R349-Y1675 HydrophobicContact CG-CE2 4.13Å; R349-T1676 PolarHBondContact NH1-OG1 3.42Å; R349-T1676 PolarHBondContact NH2-OG1 3.47Å
350V89.4Confident90.6Very high51 Ų5160.6 Ų60.631%0.30931%0.31SS..  trans-122.2147.3-176.8-64.50000109.4K348 Y1675K348-V350 HydrophobicContact CG-CG1 4.27Å; V350-Y1675 PolarHBondContact O-OH 2.88Å; V350-Y1675 VanDerWaalsContact O-OH 3.11Å
351D90.5Very high90.8Very high117 Ų11754.4 Ų54.463%0.62629%0.288SS*.SBendtrans-85.2177.1169.6-56.7-59.1000109.9S353D351-S353 PolarHBondContact O-N 2.85Å; D351-S353 VanDerWaalsContact O-N 3.14Å
352F93.4Very high90.9Very high66 Ų6655.9 Ų55.929%0.28930%0.298SS..SBendtrans54.632.3178.6-51.4-80.9000114.6L495 Q497F352-L495 PolarHBondContact O-N 3Å; F352-Q497 HydrophobicContact CB-CG 4.32Å; F352-Q497 VanDerWaalsContact CD1-CD 3.5Å; F352-Q497 HydrophobicContact CD1-CG 4.48Å; F352-Q497 HydrophobicContact CD2-CG 3.77Å; F352-Q497 VanDerWaalsContact CE1-OE1 3.31Å; F352-Q497 HydrophobicContact CE2-CG 4.19Å; F352-Q497 VanDerWaalsContact CG-CD 3.41Å; F352-Q497 HydrophobicContact CG-CG 3.93Å
353S95.1Very high91.2Very high31 Ų3159.5 Ų59.522%0.21732%0.321CS..EExtended strand (participates in β ladder)trans-124.1149.817569.10000112.6D351 L493 H494D351-S353 PolarHBondContact O-N 2.85Å; D351-S353 VanDerWaalsContact O-N 3.14Å; S353-L493 CarbonylContact C-O 3.5Å; S353-L493 WeakPolarHBondContact CA-O 3.24Å; S353-L493 VanDerWaalsContact CB-O 3.29Å; S353-L493 WeakPolarHBondContact CB-O 3.23Å; S353-H494 WeakPolarHBondContact CB-ND1 3.47Å
354A95.7Very high91.6Very high18 Ų1858.6 Ų58.615%0.14931%0.309CS..EExtended strand (participates in β ladder)trans-131.9161.9173.700000111.4I375 L379 F472 N492 L493A354-I375 HydrophobicContact CB-CD1 4.12Å; A354-I375 HydrophobicContact CB-CG1 4.35Å; A354-I375 HydrophobicContact CB-CG2 3.53Å; A354-L379 HydrophobicContact CB-CD1 3.94Å; A354-F472 HydrophobicContact CB-CZ 4.19Å; A354-N492 CarbonylContact O-C 3.54Å; A354-N492 VanDerWaalsContact O-CA 3.3Å; A354-N492 WeakPolarHBondContact O-CA 3.41Å; A354-L493 PolarHBondContact N-O 2.96Å; A354-L493 PolarHBondContact O-N 2.95Å
355R95.5Very high91.8Very high112 Ų11257.6 Ų57.642%0.42330%0.304SS..EExtended strand (participates in β ladder)trans-144.8134.6178.3-179.7-176.4175.4114.1-4.2108.6E490 M491 N492R355-E490 HydrophobicContact CG-CB 4.21Å; R355-E490 IonicContact CZ-OE2 2.65Å; R355-E490 IonicContact NE-OE2 3.23Å; R355-E490 PolarHBondContact NE-OE2 3.37Å; R355-E490 IonicContact NH2-OE2 3.29Å; R355-E490 PolarHBondContact NH2-OE2 3.12Å; R355-M491 WeakPolarHBondContact CA-O 3.34Å; R355-N492 WeakPolarHBondContact CD-OD1 3.4Å; R355-N492 PolarHBondContact NH1-OD1 3.43Å; R355-N492 VanDerWaalsContact NH1-OD1 3.09Å
356T95.9Very high91.9Very high28 Ų2854.1 Ų54.117%0.17229%0.285CS..EExtended strand (participates in β ladder)trans-157.2170.8170.4-173.90000109P372 I375 S470 F472 M491T356-P372 HydrophobicContact CG2-CG 4.44Å; T356-I375 HydrophobicContact CG2-CD1 3.89Å; T356-S470 PolarHBondContact OG1-O 2.98Å; T356-F472 HydrophobicContact CG2-CB 4.07Å; T356-F472 HydrophobicContact CG2-CD1 3.81Å; T356-F472 HydrophobicContact CG2-CD2 3.3Å; T356-F472 HydrophobicContact CG2-CE1 4.04Å; T356-F472 HydrophobicContact CG2-CE2 3.6Å; T356-F472 HydrophobicContact CG2-CG 3.42Å; T356-F472 VanDerWaalsContact CG2-CG 3.42Å; T356-F472 HydrophobicContact CG2-CZ 3.94Å; T356-M491 PolarHBondContact O-N 2.92Å
357V97Very high92.4Very high53 Ų5351.5 Ų51.532%0.32127%0.272SS..EExtended strand (participates in β ladder)trans-62.5143.5175.1178.40000110T471 F472 D489 E490V357-T471 HydrophobicContact CB-CG2 4.32Å; V357-T471 WeakPolarHBondContact O-CA 3.46Å; V357-T471 VanDerWaalsContact O-CB 3.28Å; V357-T471 WeakPolarHBondContact O-CB 3.49Å; V357-F472 PolarHBondContact O-N 3.46Å; V357-D489 WeakPolarHBondContact CA-O 3.22Å; V357-E490 HydrophobicContact CG2-CG 4.1Å
358I96.3Very high93.1Very high4 Ų451.4 Ų51.42%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-91.6156.7175.353.5162.3000113.1F448 F472 L474 A484 F486 D489 M491I358-F448 HydrophobicContact CG2-CE1 4.38Å; I358-F448 HydrophobicContact CG2-CZ 3.91Å; I358-F472 CarbonylContact C-O 3.58Å; I358-F472 VanDerWaalsContact CA-O 3.29Å; I358-F472 WeakPolarHBondContact CA-O 3.39Å; I358-F472 HydrophobicContact CG2-CB 4.07Å; I358-L474 HydrophobicContact CB-CD2 3.9Å; I358-L474 HydrophobicContact CD1-CD2 4.06Å; I358-L474 HydrophobicContact CG2-CD2 3.74Å; I358-A484 HydrophobicContact CD1-CB 3.79Å; I358-F486 HydrophobicContact CB-CD1 4.19Å; I358-F486 HydrophobicContact CB-CE1 4.31Å; I358-F486 HydrophobicContact CD1-CD1 3.64Å; I358-F486 HydrophobicContact CD1-CE1 3.83Å; I358-F486 HydrophobicContact CG1-CD1 3.81Å; I358-F486 HydrophobicContact CG1-CE1 4.26Å; I358-D489 HydrophobicContact CD1-CB 3.76Å; I358-D489 HydrophobicContact CG1-CB 3.73Å; I358-D489 WeakPolarHBondContact CG1-O 3.41Å; I358-D489 PolarHBondContact N-O 3.09Å; I358-M491 HydrophobicContact CD1-SD 4.08Å; I358-M491 HydrophobicContact CG2-CB 3.82Å; I358-M491 HydrophobicContact CG2-CG 3.83Å; I358-M491 HydrophobicContact CG2-SD 3.82Å
359T96.2Very high93.6Very high49 Ų4945 Ų4530%0.30124%0.239SC..EExtended strand (participates in β ladder)trans-144145.7175-46.80000109.6T471 F472 R473 L474T359-T471 VanDerWaalsContact OG1-CB 3.28Å; T359-T471 WeakPolarHBondContact OG1-CB 3.42Å; T359-T471 PolarHBondContact OG1-OG1 3.26Å; T359-F472 PolarHBondContact N-O 2.85Å; T359-R473 VanDerWaalsContact O-CA 3.3Å; T359-R473 WeakPolarHBondContact O-CA 3.49Å; T359-L474 PolarHBondContact O-N 3.45Å; T359-L474 VanDerWaalsContact O-N 3.15Å
360A93.5Very high94.2Very high38 Ų3839.4 Ų39.431%0.31422%0.217SC..EExtended strand (participates in β ladder)trans-67.2141.4173.900000111.5L476 F486A360-L476 HydrophobicContact CB-CD1 4.06Å; A360-L476 HydrophobicContact CB-CG 4.16Å; A360-F486 HydrophobicContact CB-CD2 4.13Å; A360-F486 HydrophobicContact CB-CE1 4.25Å; A360-F486 HydrophobicContact CB-CE2 3.64Å; A360-F486 HydrophobicContact CB-CZ 3.7Å; A360-F486 VanDerWaalsContact N-CE1 3.31Å
361D93.7Very high94.5Very high15 Ų1537 Ų378%0.0820%0.203CC..  trans-144107.2165.7-157.4-39.6000110.6N363 L364 R473 L474D361-N363 PolarHBondContact O-N 3.08Å; D361-N363 WeakPolarHBondContact OD1-CB 3.47Å; D361-N363 PolarHBondContact OD1-N 3.48Å; D361-N363 VanDerWaalsContact OD1-N 3.12Å; D361-N363 PolarHBondContact OD1-ND2 2.95Å; D361-L364 HydrophobicContact CB-CD1 3.97Å; D361-L364 HydrophobicContact CB-CG 3.99Å; D361-L364 PolarHBondContact O-N 2.81Å; D361-R473 HydrophobicContact CB-CB 3.99Å; D361-R473 WeakPolarHBondContact OD2-CD 3.43Å; D361-R473 IonicContact OD2-CZ 3.91Å; D361-R473 IonicContact OD2-NE 3.76Å; D361-R473 IonicContact OD2-NH1 2.64Å; D361-R473 PolarHBondContact OD2-NH1 3.09Å; D361-L474 PolarHBondContact N-O 2.92Å
362P90.6Very high94.8Very high43 Ų4331.4 Ų31.428%0.27917%0.173SC..THydrogen-bonded Turntrans-74.7-7-17931.4-35.5000113.5L476 N667P362-L476 HydrophobicContact CB-CD1 3.9Å; P362-N667 WeakPolarHBondContact CB-ND2 3.47Å
363N91.8Very high94.9Very high119 Ų11934.5 Ų34.564%0.63618%0.183SC*.THydrogen-bonded Turntrans-94.2-6178.8-54.5-68000113.1D361D361-N363 PolarHBondContact O-N 3.08Å; D361-N363 WeakPolarHBondContact OD1-CB 3.47Å; D361-N363 PolarHBondContact OD1-N 3.48Å; D361-N363 VanDerWaalsContact OD1-N 3.12Å; D361-N363 PolarHBondContact OD1-ND2 2.95Å
364L93.2Very high94.9Very high12 Ų1237.3 Ų37.36%0.06320%0.199CC..SBendtrans-85.3142.6172.8-68.2-178.8000110D361 Q368 K465 R473 N475D361-L364 HydrophobicContact CB-CD1 3.97Å; D361-L364 HydrophobicContact CB-CG 3.99Å; D361-L364 PolarHBondContact O-N 2.81Å; L364-Q368 HydrophobicContact CB-CB 4.38Å; L364-K465 HydrophobicContact CD2-CB 4.15Å; L364-K465 HydrophobicContact CD2-CG 4.06Å; L364-R473 HydrophobicContact CD1-CB 3.72Å; L364-N475 PolarHBondContact O-ND2 3.42Å
365N93.2Very high94.9Very high52 Ų5237.6 Ų37.628%0.27820%0.198SC..  trans-61.9155.2172.8-66-25.7000111.2D367 Q368 N660N365-D367 PolarHBondContact O-N 2.86Å; N365-D367 VanDerWaalsContact O-N 3.14Å; N365-Q368 HydrophobicContact CB-CB 4.23Å; N365-Q368 HydrophobicContact CB-CG 4Å; N365-Q368 PolarHBondContact O-N 3.03Å; N365-N660 VanDerWaalsContact CA-OD1 3.32Å; N365-N660 WeakPolarHBondContact CA-OD1 3.45Å; N365-N660 WeakPolarHBondContact CB-ND2 3.29Å; N365-N660 VanDerWaalsContact CG-ND2 3.32Å; N365-N660 PolarHBondContact OD1-ND2 2.81Å
366L93Very high95Very high0 Ų032.3 Ų32.30%018%0.178CC..THydrogen-bonded Turntrans-51.6-38177.2-171.578.3000112.6V478 V511 V515 M525 N656 F659 N660L366-V478 HydrophobicContact CD1-CG2 3.63Å; L366-V478 HydrophobicContact CG-CG2 4.15Å; L366-V478 WeakPolarHBondContact O-CG2 3.36Å; L366-V511 HydrophobicContact CD2-CG1 4.18Å; L366-V511 HydrophobicContact CG-CG1 3.9Å; L366-V515 HydrophobicContact CD2-CG2 4.35Å; L366-M525 HydrophobicContact CD1-SD 4.31Å; L366-M525 HydrophobicContact CD2-SD 4.14Å; L366-M525 HydrophobicContact CG-SD 4.46Å; L366-N656 WeakPolarHBondContact CB-OD1 3.48Å; L366-N656 PolarHBondContact N-OD1 3.16Å; L366-F659 HydrophobicContact CB-CB 4.33Å; L366-F659 HydrophobicContact CD1-CB 4.29Å; L366-F659 HydrophobicContact CD1-CD1 4.18Å; L366-F659 HydrophobicContact CD1-CD2 4.47Å; L366-F659 HydrophobicContact CD1-CG 4.08Å; L366-F659 HydrophobicContact CD2-CB 4.33Å; L366-F659 HydrophobicContact CD2-CD2 3.67Å; L366-F659 HydrophobicContact CD2-CE2 4.11Å; L366-F659 HydrophobicContact CD2-CG 4.04Å; L366-N660 PolarHBondContact N-OD1 2.94Å
367D93.8Very high94.8Very high0 Ų034.2 Ų34.20%019%0.185CC..THydrogen-bonded Turntrans-92.214.7179.281.8-37.3000114.6N365 H462 R463 R510 V511 N656N365-D367 PolarHBondContact O-N 2.86Å; N365-D367 VanDerWaalsContact O-N 3.14Å; D367-H462 CarbonylContact O-C 3.56Å; D367-H462 WeakPolarHBondContact O-CA 3.2Å; D367-R463 PolarHBondContact O-N 3.46Å; D367-R463 IonicContact OD1-CZ 2.67Å; D367-R463 IonicContact OD1-NE 2.84Å; D367-R463 PolarHBondContact OD1-NE 3.09Å; D367-R463 IonicContact OD1-NH2 3.78Å; D367-R463 PolarHBondContact OD1-NH2 2.71Å; D367-R463 IonicContact OD2-CZ 3.81Å; D367-R463 IonicContact OD2-NE 2.87Å; D367-R463 PolarHBondContact OD2-NE 2.73Å; D367-R463 IonicContact OD2-NH2 2.68Å; D367-R463 PolarHBondContact OD2-NH2 3.47Å; D367-R510 IonicContact OD2-CZ 2.75Å; D367-R510 IonicContact OD2-NE 3.39Å; D367-R510 PolarHBondContact OD2-NE 2.58Å; D367-R510 IonicContact OD2-NH2 2.77Å; D367-R510 PolarHBondContact OD2-NH2 2.98Å; D367-V511 HydrophobicContact CB-CB 4.4Å; D367-N656 PolarHBondContact OD1-ND2 3.28Å
368Q95.6Very high94.7Very high19 Ų1936.7 Ų36.79%0.08920%0.196CC..EExtended strand (participates in β ladder)trans-112.9140.8-179.7-78.5176.9-15.800113.6L364 N365 R463L364-Q368 HydrophobicContact CB-CB 4.38Å; N365-Q368 HydrophobicContact CB-CB 4.23Å; N365-Q368 HydrophobicContact CB-CG 4Å; N365-Q368 PolarHBondContact O-N 3.03Å; Q368-R463 VanDerWaalsContact CA-O 3.31Å; Q368-R463 WeakPolarHBondContact CA-O 3.45Å; Q368-R463 HydrophobicContact CG-CB 4.17Å
369V96.7Very high94.7Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-118.5124.8170.365.30000110.4V371 V446 F448 H462 R463 K465 R473 L493V369-V371 HydrophobicContact CG1-CG2 4.14Å; V369-V371 PolarHBondContact O-N 2.65Å; V369-V446 HydrophobicContact CG1-CG2 3.75Å; V369-F448 HydrophobicContact CG2-CD1 4.31Å; V369-F448 HydrophobicContact CG2-CD2 4.48Å; V369-F448 HydrophobicContact CG2-CE1 4.15Å; V369-F448 HydrophobicContact CG2-CE2 4.34Å; V369-F448 HydrophobicContact CG2-CG 4.48Å; V369-F448 HydrophobicContact CG2-CZ 4.16Å; V369-H462 HydrophobicContact CB-CB 3.85Å; V369-H462 HydrophobicContact CG1-CB 3.59Å; V369-R463 PolarHBondContact N-O 3.27Å; V369-K465 PolarHBondContact O-N 2.79Å; V369-R473 CarbonylContact C-O 3.58Å; V369-R473 WeakPolarHBondContact CA-O 3.42Å; V369-R473 WeakPolarHBondContact CG2-O 3.49Å; V369-L493 HydrophobicContact CG1-CD1 4.48Å
370G97.1Very high94.6Very high0 Ų034.9 Ų34.90%019%0.185CC..EExtended strand (participates in β ladder)trans-72120.317200000110.4K465 F472 R473G370-K465 CarbonylContact C-O 3.51Å; G370-K465 VanDerWaalsContact CA-O 3.26Å; G370-K465 WeakPolarHBondContact CA-O 3.33Å; G370-F472 CarbonylContact O-C 3.04Å; G370-F472 VanDerWaalsContact O-CA 3.28Å; G370-F472 WeakPolarHBondContact O-CA 3.5Å; G370-R473 PolarHBondContact N-O 3.26Å; G370-R473 PolarHBondContact O-N 3Å
371V97.6Very high94.7Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-113.7129-178.41770000110.5V369 R373 I375 A376 M440 V464 K465 V466 L467 F472 L493V369-V371 HydrophobicContact CG1-CG2 4.14Å; V369-V371 PolarHBondContact O-N 2.65Å; V371-R373 PolarHBondContact O-N 3.21Å; V371-I375 HydrophobicContact CG1-CB 4.02Å; V371-I375 HydrophobicContact CG1-CG2 3.84Å; V371-A376 HydrophobicContact CG1-CB 4.34Å; V371-M440 HydrophobicContact CB-SD 4.46Å; V371-M440 HydrophobicContact CG1-SD 3.93Å; V371-M440 HydrophobicContact CG2-SD 4.32Å; V371-V464 HydrophobicContact CB-CG1 4Å; V371-V464 HydrophobicContact CG2-CB 4.48Å; V371-V464 HydrophobicContact CG2-CG1 3.85Å; V371-V464 HydrophobicContact CG2-CG2 4.17Å; V371-K465 PolarHBondContact N-O 2.68Å; V371-V466 CarbonylContact O-C 3.47Å; V371-V466 WeakPolarHBondContact O-CA 3.39Å; V371-L467 PolarHBondContact O-N 3.32Å; V371-F472 HydrophobicContact CG1-CE1 4.28Å; V371-F472 HydrophobicContact CG2-CD1 4.4Å; V371-F472 HydrophobicContact CG2-CE1 4.27Å; V371-L493 HydrophobicContact CG2-CD1 3.62Å
372P97Very high94.8Very high1 Ų134 Ų341%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-52.7135.3171.7-32.538.8000114T356 T374 I375 A376 W469 S470 T471T356-P372 HydrophobicContact CG2-CG 4.44Å; P372-T374 PolarHBondContact O-N 3Å; P372-T374 VanDerWaalsContact O-N 3.14Å; P372-I375 HydrophobicContact CB-CB 4.28Å; P372-I375 HydrophobicContact CB-CD1 4.2Å; P372-I375 HydrophobicContact CB-CG1 4.16Å; P372-I375 HydrophobicContact CG-CD1 3.94Å; P372-I375 HydrophobicContact CG-CG1 4.45Å; P372-I375 PolarHBondContact O-N 2.82Å; P372-A376 PolarHBondContact O-N 2.9Å; P372-W469 VanDerWaalsContact CA-O 3.24Å; P372-W469 WeakPolarHBondContact CA-O 3.44Å; P372-W469 WeakPolarHBondContact CB-O 3.49Å; P372-W469 WeakPolarHBondContact CG-O 3.25Å; P372-S470 WeakPolarHBondContact CG-O 3.39Å; P372-T471 WeakPolarHBondContact CD-O 3.36Å; P372-T471 WeakPolarHBondContact CG-O 3.2Å
373R95.5Very high95Very high130 Ų13033.7 Ų33.749%0.49117%0.17SC..Hα-helixtrans-50.3-37.3171.9-82-179.8176-173.9-3.1113.2V371 I375 A376 Q377 V466 L467V371-R373 PolarHBondContact O-N 3.21Å; R373-I375 VanDerWaalsContact C-N 3.35Å; R373-I375 PolarHBondContact O-N 3.31Å; R373-A376 PolarHBondContact O-N 3.18Å; R373-Q377 WeakPolarHBondContact O-CB 3.38Å; R373-Q377 VanDerWaalsContact O-CG 3.29Å; R373-Q377 WeakPolarHBondContact O-CG 3.36Å; R373-Q377 PolarHBondContact O-N 2.8Å; R373-V466 HydrophobicContact CB-CG1 4.35Å; R373-V466 HydrophobicContact CG-CG1 3.56Å; R373-L467 PolarHBondContact N-O 3.28Å
374T94.3Very high95.1Very high91 Ų9132.4 Ų32.456%0.55816%0.162SC*.Hα-helixtrans-64.4-35.7177.351.10000113.2P372P372-T374 PolarHBondContact O-N 3Å; P372-T374 VanDerWaalsContact O-N 3.14Å
375I96.4Very high95.2Very high24 Ų2431.9 Ų31.912%0.12316%0.16CC..Hα-helixtrans-75.8-44.3175-68.5176.6000109.8A354 T356 V371 P372 R373 Q377 N378 L379 F472A354-I375 HydrophobicContact CB-CD1 4.12Å; A354-I375 HydrophobicContact CB-CG1 4.35Å; A354-I375 HydrophobicContact CB-CG2 3.53Å; T356-I375 HydrophobicContact CG2-CD1 3.89Å; V371-I375 HydrophobicContact CG1-CB 4.02Å; V371-I375 HydrophobicContact CG1-CG2 3.84Å; P372-I375 HydrophobicContact CB-CB 4.28Å; P372-I375 HydrophobicContact CB-CD1 4.2Å; P372-I375 HydrophobicContact CB-CG1 4.16Å; P372-I375 HydrophobicContact CG-CD1 3.94Å; P372-I375 HydrophobicContact CG-CG1 4.45Å; P372-I375 PolarHBondContact O-N 2.82Å; R373-I375 VanDerWaalsContact C-N 3.35Å; R373-I375 PolarHBondContact O-N 3.31Å; I375-Q377 VanDerWaalsContact C-N 3.33Å; I375-Q377 PolarHBondContact O-N 3.24Å; I375-N378 PolarHBondContact O-N 2.79Å; I375-L379 HydrophobicContact CG2-CD1 3.7Å; I375-L379 HydrophobicContact CG2-CG 4.2Å; I375-L379 PolarHBondContact O-N 2.99Å; I375-F472 HydrophobicContact CD1-CE1 3.82Å; I375-F472 HydrophobicContact CD1-CZ 3.87Å
376A95.8Very high95.2Very high0 Ų031.8 Ų31.80%016%0.161CC..Hα-helixtrans-63-35.5-179.700000113.4V371 P372 R373 N378 Y403 H439 M440 V466V371-A376 HydrophobicContact CG1-CB 4.34Å; P372-A376 PolarHBondContact O-N 2.9Å; R373-A376 PolarHBondContact O-N 3.18Å; A376-N378 VanDerWaalsContact C-N 3.34Å; A376-Y403 HydrophobicContact CB-CE2 4.28Å; A376-H439 WeakPolarHBondContact O-CB 3.42Å; A376-M440 HydrophobicContact CB-CB 4.3Å; A376-M440 PolarHBondContact O-N 3.4Å; A376-V466 HydrophobicContact CB-CG1 3.91Å; A376-V466 HydrophobicContact CB-CG2 3.85Å
377Q93.3Very high95.1Very high69 Ų6937.6 Ų37.632%0.32219%0.188SC..Hα-helixtrans-68.5-28171.9-78172-18.900113.6R373 I375 Y403 H439R373-Q377 WeakPolarHBondContact O-CB 3.38Å; R373-Q377 VanDerWaalsContact O-CG 3.29Å; R373-Q377 WeakPolarHBondContact O-CG 3.36Å; R373-Q377 PolarHBondContact O-N 2.8Å; I375-Q377 VanDerWaalsContact C-N 3.33Å; I375-Q377 PolarHBondContact O-N 3.24Å; Q377-Y403 HydrophobicContact CG-CD2 4.37Å; Q377-Y403 HydrophobicContact CG-CG 4.49Å; Q377-H439 PolarHBondContact O-CD2 2.8Å; Q377-H439 PolarHBondContact O-NE2 2.94Å
378N94.3Very high95.1Very high104 Ų10445.3 Ų45.356%0.55622%0.222SC*.Hα-helixtrans-89.7-40.6-176.2-168.627.8000112.8I375 A376 K407I375-N378 PolarHBondContact O-N 2.79Å; A376-N378 VanDerWaalsContact C-N 3.34Å; N378-K407 PolarHBondContact O-NZ 2.74Å; N378-K407 PolarHBondContact OD1-NZ 2.67Å
379L95.3Very high95Very high12 Ų1245.4 Ų45.46%0.06322%0.223CC..SBendtrans-77.8131.3178.1-64.8-179.6000110.8A354 I375 M440 L493 L495A354-L379 HydrophobicContact CB-CD1 3.94Å; I375-L379 HydrophobicContact CG2-CD1 3.7Å; I375-L379 HydrophobicContact CG2-CG 4.2Å; I375-L379 PolarHBondContact O-N 2.99Å; L379-M440 HydrophobicContact CB-CE 4.02Å; L379-M440 HydrophobicContact CD1-CE 3.5Å; L379-M440 HydrophobicContact CG-CE 4.42Å; L379-M440 PolarHBondContact O-N 3.48Å; L379-M440 VanDerWaalsContact O-N 3.16Å; L379-L493 HydrophobicContact CD1-CD2 3.91Å; L379-L495 HydrophobicContact CB-CD2 4.03Å
380T95.1Very high94.8Very high4 Ų447.4 Ų47.43%0.02523%0.233CC..EExtended strand (participates in β ladder)trans-114.9149.4-178.944.80000113.5K407 E437 R438 L495 Q497T380-K407 HydrophobicContact CG2-CB 4.03Å; T380-K407 HydrophobicContact CG2-CD 3.48Å; T380-K407 VanDerWaalsContact CG2-CD 3.48Å; T380-K407 HydrophobicContact CG2-CG 3.87Å; T380-E437 HydrophobicContact CG2-CB 4.07Å; T380-E437 WeakPolarHBondContact CG2-O 3.45Å; T380-E437 PolarHBondContact OG1-OE2 2.97Å; T380-R438 CarbonylContact C-O 3.59Å; T380-R438 WeakPolarHBondContact CA-O 3.46Å; T380-R438 WeakPolarHBondContact CB-O 3.35Å; T380-R438 WeakPolarHBondContact CG2-O 3.19Å; T380-L495 WeakPolarHBondContact O-CD2 3.4Å; T380-Q497 PolarHBondContact O-NE2 3.3Å
381Y95.9Very high94.6Very high11 Ų1153.8 Ų53.84%0.04327%0.267CS..EExtended strand (participates in β ladder)trans-114123.2169.2-176.7-106.9000108.9E383 R438 P496 K502Y381-E383 HydrophobicContact CD1-CB 4.13Å; Y381-E383 HydrophobicContact CE1-CB 4.29Å; Y381-E383 HydrophobicContact CE1-CG 4.43Å; Y381-E383 PolarHBondContact O-N 3.24Å; Y381-R438 PolarHBondContact N-O 2.97Å; Y381-R438 PolarHBondContact O-N 2.92Å; Y381-R438 VanDerWaalsContact O-N 3.12Å; Y381-P496 VanDerWaalsContact CD2-O 3.29Å; Y381-P496 WeakPolarHBondContact CD2-O 3.47Å; Y381-P496 WeakPolarHBondContact CE2-O 3.31Å; Y381-K502 HydrophobicContact CE2-CD 4.37Å
382P95.1Very high94.4Very high23 Ų2358.1 Ų58.115%0.14929%0.288CS..EExtended strand (participates in β ladder)trans-79.795.5179.130.8-32.6000110.1I435 E437 Q497P382-I435 HydrophobicContact CB-CG2 3.55Å; P382-E437 HydrophobicContact CB-CG 4.36Å; P382-Q497 VanDerWaalsContact CD-OE1 3.28Å; P382-Q497 HydrophobicContact CG-CB 4.48Å; P382-Q497 VanDerWaalsContact CG-O 3.26Å; P382-Q497 WeakPolarHBondContact CG-O 3.46Å
383E94.7Very high94.3Very high36 Ų3658.1 Ų58.117%0.16829%0.287CS..EExtended strand (participates in β ladder)trans-92.8126.1179.3-162171.1134.300110.8Y381 N389 L393 I435 V436 R438Y381-E383 HydrophobicContact CD1-CB 4.13Å; Y381-E383 HydrophobicContact CE1-CB 4.29Å; Y381-E383 HydrophobicContact CE1-CG 4.43Å; Y381-E383 PolarHBondContact O-N 3.24Å; E383-N389 PolarHBondContact OE1-ND2 3.23Å; E383-L393 HydrophobicContact CB-CD1 4.41Å; E383-L393 HydrophobicContact CB-CD2 4.21Å; E383-L393 HydrophobicContact CG-CD1 4.34Å; E383-L393 HydrophobicContact CG-CD2 4.4Å; E383-I435 WeakPolarHBondContact O-CA 3.42Å; E383-V436 PolarHBondContact N-O 3.22Å; E383-V436 PolarHBondContact O-N 2.99Å; E383-R438 IonicContact OE2-CZ 2.89Å; E383-R438 IonicContact OE2-NE 3.37Å; E383-R438 PolarHBondContact OE2-NE 3.43Å; E383-R438 IonicContact OE2-NH2 3.1Å; E383-R438 PolarHBondContact OE2-NH2 3.44Å
384I94.8Very high94.2Very high93 Ų9353.7 Ų53.748%0.47727%0.272SS..EExtended strand (participates in β ladder)trans-72.9132.8177.1-57.9171000109T386 N389 I435I384-T386 PolarHBondContact O-N 2.82Å; I384-N389 PolarHBondContact O-ND2 3.42Å; I384-N389 PolarHBondContact O-OD1 3.09Å; I384-I435 HydrophobicContact CG1-CG1 4.26Å
385V94.8Very high94.1Very high1 Ų155.7 Ų55.71%0.00627%0.273CS..PPolyproline II helixtrans-72.5116.3173.2-176.80000109I390 L393 L430 Q431 V432 G433 Y434 V436V385-I390 HydrophobicContact CG1-CB 4.01Å; V385-I390 HydrophobicContact CG1-CD1 4.25Å; V385-I390 HydrophobicContact CG1-CG1 3.9Å; V385-L393 HydrophobicContact CB-CD1 4.39Å; V385-L393 HydrophobicContact CG2-CD1 3.79Å; V385-L430 HydrophobicContact CG1-CB 4.33Å; V385-L430 HydrophobicContact CG2-CB 4.34Å; V385-L430 HydrophobicContact CG2-CD1 4.09Å; V385-L430 HydrophobicContact CG2-CD2 4.34Å; V385-Q431 WeakPolarHBondContact CB-O 3.34Å; V385-Q431 WeakPolarHBondContact CG1-O 3.15Å; V385-V432 WeakPolarHBondContact O-CA 3.41Å; V385-G433 PolarHBondContact O-N 3.46Å; V385-Y434 WeakPolarHBondContact CB-O 3.4Å; V385-Y434 WeakPolarHBondContact CG2-O 3.4Å; V385-Y434 PolarHBondContact N-O 3.24Å; V385-V436 HydrophobicContact CG2-CG2 3.86Å
386T93.1Very high94Very high50 Ų5054.8 Ų54.831%0.30727%0.269SS..  trans-115.8170.717468.70000109.2I384 F388 N389 I390I384-T386 PolarHBondContact O-N 2.82Å; T386-F388 PolarHBondContact O-N 3.12Å; T386-F388 PolarHBondContact OG1-N 3.31Å; T386-N389 WeakPolarHBondContact CA-OD1 3.48Å; T386-N389 PolarHBondContact N-OD1 3.34Å; T386-N389 PolarHBondContact O-OD1 3.36Å; T386-N389 PolarHBondContact OG1-N 2.91Å; T386-N389 PolarHBondContact OG1-OD1 2.71Å; T386-I390 WeakPolarHBondContact O-CB 3.45Å; T386-I390 PolarHBondContact O-N 3.44Å
387Q91.4Very high93.8Very high122 Ų12255 Ų5557%0.5727%0.27SS*.THydrogen-bonded Turntrans-62.2-22.2173.9-65.7178.1-3.700113.3V432Q387-V432 HydrophobicContact CG-CG2 4.08Å
388F92.7Very high93.6Very high162 Ų16258.1 Ų58.171%0.71128%0.284SS*.THydrogen-bonded Turntrans-85.1-33.1-177.1-57.5-73.7000114T386 L1478T386-F388 PolarHBondContact O-N 3.12Å; T386-F388 PolarHBondContact OG1-N 3.31Å; F388-L1478 HydrophobicContact CE1-CD1 4Å; F388-L1478 HydrophobicContact CZ-CD1 4.3Å
389N93.6Very high93.4Very high20 Ų2056.2 Ų56.211%0.10727%0.274CS..THydrogen-bonded Turntrans-109.2-0.4-17566.3-6.4000113.6E383 I384 T386 D391 H392 L393E383-N389 PolarHBondContact OE1-ND2 3.23Å; I384-N389 PolarHBondContact O-ND2 3.42Å; I384-N389 PolarHBondContact O-OD1 3.09Å; T386-N389 WeakPolarHBondContact CA-OD1 3.48Å; T386-N389 PolarHBondContact N-OD1 3.34Å; T386-N389 PolarHBondContact O-OD1 3.36Å; T386-N389 PolarHBondContact OG1-N 2.91Å; T386-N389 PolarHBondContact OG1-OD1 2.71Å; N389-D391 PolarHBondContact O-N 2.96Å; N389-H392 PolarHBondContact O-N 3.39Å; N389-H392 VanDerWaalsContact O-N 3.15Å; N389-L393 HydrophobicContact CB-CD1 4.38Å; N389-L393 HydrophobicContact CB-CG 4.31Å; N389-L393 WeakPolarHBondContact ND2-CD1 3.35Å; N389-L393 WeakPolarHBondContact O-CB 3.41Å; N389-L393 WeakPolarHBondContact O-CG 3.18Å; N389-L393 PolarHBondContact O-N 3.46Å
390I93.2Very high93Very high43 Ų4356.2 Ų56.222%0.22128%0.278CS..Hα-helixtrans-53.1-48.3-178-169.9167.5000112.6V385 T386 H392 L393 Q394 L430V385-I390 HydrophobicContact CG1-CB 4.01Å; V385-I390 HydrophobicContact CG1-CD1 4.25Å; V385-I390 HydrophobicContact CG1-CG1 3.9Å; T386-I390 WeakPolarHBondContact O-CB 3.45Å; T386-I390 PolarHBondContact O-N 3.44Å; I390-H392 PolarHBondContact O-N 3.22Å; I390-L393 PolarHBondContact O-N 3.22Å; I390-Q394 WeakPolarHBondContact O-CB 3.24Å; I390-Q394 PolarHBondContact O-N 3.29Å; I390-L430 HydrophobicContact CG1-CB 4.38Å
391D93.5Very high92.7Very high133 Ų13359.2 Ų59.271%0.71130%0.296SS*.Hα-helixtrans-66.3-38.7-179.8-62.3-30000112.4N389 K395N389-D391 PolarHBondContact O-N 2.96Å; D391-K395 PolarHBondContact O-N 3.05Å; D391-K395 VanDerWaalsContact O-N 3.1Å
392H93.6Very high92.4Very high92 Ų9264.3 Ų64.343%0.42632%0.323SS..Hα-helixtrans-66.2-48.2177.1177-125.9000111.3N389 I390 K395 L396N389-H392 PolarHBondContact O-N 3.39Å; N389-H392 VanDerWaalsContact O-N 3.15Å; I390-H392 PolarHBondContact O-N 3.22Å; H392-K395 WeakPolarHBondContact O-CB 3.31Å; H392-K395 PolarHBondContact O-N 2.9Å; H392-L396 WeakPolarHBondContact O-CG 3.45Å; H392-L396 PolarHBondContact O-N 3.13Å; H392-L396 VanDerWaalsContact O-N 3.08Å
393L94.7Very high92.2Very high0 Ų065.4 Ų65.40%033%0.325CS..Hα-helixtrans-66.8-36.8177.4-67-178.8000111.7E383 V385 N389 I390 K395 L396 V397 L430 V436E383-L393 HydrophobicContact CB-CD1 4.41Å; E383-L393 HydrophobicContact CB-CD2 4.21Å; E383-L393 HydrophobicContact CG-CD1 4.34Å; E383-L393 HydrophobicContact CG-CD2 4.4Å; V385-L393 HydrophobicContact CB-CD1 4.39Å; V385-L393 HydrophobicContact CG2-CD1 3.79Å; N389-L393 HydrophobicContact CB-CD1 4.38Å; N389-L393 HydrophobicContact CB-CG 4.31Å; N389-L393 WeakPolarHBondContact ND2-CD1 3.35Å; N389-L393 WeakPolarHBondContact O-CB 3.41Å; N389-L393 WeakPolarHBondContact O-CG 3.18Å; N389-L393 PolarHBondContact O-N 3.46Å; I390-L393 PolarHBondContact O-N 3.22Å; L393-K395 VanDerWaalsContact C-N 3.28Å; L393-K395 PolarHBondContact O-N 2.85Å; L393-L396 HydrophobicContact CD2-CD1 4.19Å; L393-L396 PolarHBondContact O-N 2.84Å; L393-L396 VanDerWaalsContact O-N 3.15Å; L393-V397 WeakPolarHBondContact O-CG2 3.48Å; L393-V397 PolarHBondContact O-N 2.88Å; L393-L430 HydrophobicContact CB-CD1 3.64Å; L393-V436 HydrophobicContact CB-CG2 4.29Å; L393-V436 HydrophobicContact CD1-CB 4.33Å; L393-V436 HydrophobicContact CD1-CG2 4.31Å; L393-V436 HydrophobicContact CD2-CB 4.32Å; L393-V436 HydrophobicContact CD2-CG1 4.44Å
394Q92.1Very high92.2Very high38 Ų3866.3 Ų66.318%0.17833%0.334CS..Hα-helixtrans-61-39.1175.8-171.963.172.500110.9I390 V397 Q398 L428 L430I390-Q394 WeakPolarHBondContact O-CB 3.24Å; I390-Q394 PolarHBondContact O-N 3.29Å; Q394-V397 PolarHBondContact O-N 3.42Å; Q394-Q398 VanDerWaalsContact O-CG 3.25Å; Q394-Q398 WeakPolarHBondContact O-CG 3.4Å; Q394-Q398 PolarHBondContact O-N 2.81Å; Q394-L428 PolarHBondContact NE2-O 2.94Å; Q394-L428 PolarHBondContact OE1-O 3.01Å; Q394-L430 HydrophobicContact CB-CD1 4.26Å
395K92.5Very high92.1Very high132 Ų13261.9 Ų61.957%0.57431%0.311SS*.Hα-helixtrans-67-40.1172.9-172.4174.9-1771740112.9D391 H392 L393 V397 Q398 N399D391-K395 PolarHBondContact O-N 3.05Å; D391-K395 VanDerWaalsContact O-N 3.1Å; H392-K395 WeakPolarHBondContact O-CB 3.31Å; H392-K395 PolarHBondContact O-N 2.9Å; L393-K395 VanDerWaalsContact C-N 3.28Å; L393-K395 PolarHBondContact O-N 2.85Å; K395-V397 VanDerWaalsContact C-N 3.34Å; K395-Q398 PolarHBondContact O-N 2.88Å; K395-N399 PolarHBondContact O-N 2.87Å; K395-N399 VanDerWaalsContact O-N 3.09Å
396L93.7Very high92.1Very high6 Ų661.8 Ų61.83%0.03131%0.311CS..Hα-helixtrans-65.7-36.7174.5-64.6-178.2000112.3H392 L393 N399 G400 P404 G405 A406 R438 L441H392-L396 WeakPolarHBondContact O-CG 3.45Å; H392-L396 PolarHBondContact O-N 3.13Å; H392-L396 VanDerWaalsContact O-N 3.08Å; L393-L396 HydrophobicContact CD2-CD1 4.19Å; L393-L396 PolarHBondContact O-N 2.84Å; L393-L396 VanDerWaalsContact O-N 3.15Å; L396-N399 PolarHBondContact O-N 3.47Å; L396-G400 PolarHBondContact O-N 3.26Å; L396-P404 HydrophobicContact CD2-CB 3.91Å; L396-P404 HydrophobicContact CD2-CG 4.36Å; L396-G405 CarbonylContact O-C 3.54Å; L396-G405 VanDerWaalsContact O-CA 3.29Å; L396-G405 WeakPolarHBondContact O-CA 3.42Å; L396-A406 PolarHBondContact O-N 3.33Å; L396-R438 HydrophobicContact CD1-CB 3.88Å; L396-L441 HydrophobicContact CD1-CD1 4.37Å
397V91.9Very high92Very high3 Ų361 Ų612%0.01830%0.303CS..Hα-helixtrans-66.9-41.9173.8165.30000111.5L393 Q394 K395 N399 G400 I409 L419 L428 L430 V436L393-V397 WeakPolarHBondContact O-CG2 3.48Å; L393-V397 PolarHBondContact O-N 2.88Å; Q394-V397 PolarHBondContact O-N 3.42Å; K395-V397 VanDerWaalsContact C-N 3.34Å; V397-N399 VanDerWaalsContact C-N 3.3Å; V397-N399 PolarHBondContact O-N 2.89Å; V397-G400 PolarHBondContact O-N 3.45Å; V397-I409 HydrophobicContact CG1-CD1 3.84Å; V397-I409 HydrophobicContact CG2-CD1 4.09Å; V397-I409 HydrophobicContact CG2-CG1 4.14Å; V397-L419 HydrophobicContact CG1-CD2 4.15Å; V397-L419 HydrophobicContact CG2-CD1 4.4Å; V397-L428 HydrophobicContact CG1-CB 4.04Å; V397-L428 HydrophobicContact CG1-CD2 3.86Å; V397-L430 HydrophobicContact CG2-CD1 4.21Å; V397-L430 HydrophobicContact CG2-CD2 4.26Å; V397-V436 HydrophobicContact CG2-CG1 3.83Å; V397-V436 HydrophobicContact CG2-CG2 4.14Å
398Q89.1Confident92.1Very high135 Ų13556.3 Ų56.363%0.63128%0.281SS*.Hα-helixtrans-61.7-34.9175.1-76.3168.4-1.600112.8Q394 K395 G400Q394-Q398 VanDerWaalsContact O-CG 3.25Å; Q394-Q398 WeakPolarHBondContact O-CG 3.4Å; Q394-Q398 PolarHBondContact O-N 2.81Å; K395-Q398 PolarHBondContact O-N 2.88Å; Q398-G400 PolarHBondContact O-N 2.88Å
399N89.9Confident92.1Very high64 Ų6448.7 Ų48.734%0.34225%0.247SC..THydrogen-bonded Turntrans-70.4-14.6173.2-70.2-10.2000113.4K395 L396 V397 T401 L402 P404K395-N399 PolarHBondContact O-N 2.87Å; K395-N399 VanDerWaalsContact O-N 3.09Å; L396-N399 PolarHBondContact O-N 3.47Å; V397-N399 VanDerWaalsContact C-N 3.3Å; V397-N399 PolarHBondContact O-N 2.89Å; N399-T401 PolarHBondContact O-N 3.4Å; N399-L402 WeakPolarHBondContact O-CB 3.27Å; N399-L402 PolarHBondContact O-N 3.1Å; N399-P404 WeakPolarHBondContact CB-O 3.36Å; N399-P404 PolarHBondContact ND2-O 3.23Å
400G87.8Confident92.1Very high13 Ų1349.2 Ų49.213%0.13425%0.251CS..THydrogen-bonded Turntrans54.4-135.8-175.700000112L396 V397 Q398 L402 G405 A406L396-G400 PolarHBondContact O-N 3.26Å; V397-G400 PolarHBondContact O-N 3.45Å; Q398-G400 PolarHBondContact O-N 2.88Å; G400-L402 PolarHBondContact O-N 3.39Å; G400-G405 CarbonylContact O-C 3.6Å; G400-G405 WeakPolarHBondContact O-CA 3.45Å; G400-A406 CarbonylContact C-O 3.59Å; G400-A406 VanDerWaalsContact C-O 3.23Å; G400-A406 PolarHBondContact O-N 3.12Å
401T88Confident91.9Very high67 Ų6750.2 Ų50.241%0.41125%0.252SS..THydrogen-bonded Turntrans-807.9-179.757.20000115N399 K407 R420 H439N399-T401 PolarHBondContact O-N 3.4Å; T401-K407 HydrophobicContact CG2-CG 4.47Å; T401-R420 HydrophobicContact CG2-CG 3.5Å; T401-H439 PolarHBondContact O-CE1 2.96Å
402L89.9Confident91.6Very high118 Ų11849.8 Ų49.862%0.61825%0.246SC*.SBendtrans-73152.2169.3-169.461.8000110.1N399 G400 P404 G405 H439N399-L402 WeakPolarHBondContact O-CB 3.27Å; N399-L402 PolarHBondContact O-N 3.1Å; G400-L402 PolarHBondContact O-N 3.39Å; L402-P404 CarbonylContact O-C 3.4Å; L402-G405 VanDerWaalsContact O-CA 3.26Å; L402-G405 WeakPolarHBondContact O-CA 3.27Å; L402-G405 PolarHBondContact O-N 3.37Å; L402-G405 VanDerWaalsContact O-N 3.14Å; L402-H439 PolarHBondContact O-CE1 2.65Å; L402-H439 VanDerWaalsContact O-CE1 3.29Å; L402-H439 PolarHBondContact O-ND1 2.8Å
403Y91.6Very high91.2Very high45 Ų4550 Ų5018%0.17625%0.25CC..SBendtrans-92.8130.4175.4179.8-88.3000111.2A376 Q377 H439 M440 L441 V466A376-Y403 HydrophobicContact CB-CE2 4.28Å; Q377-Y403 HydrophobicContact CG-CD2 4.37Å; Q377-Y403 HydrophobicContact CG-CG 4.49Å; Y403-H439 HydrophobicContact CD2-CB 4.45Å; Y403-M440 WeakPolarHBondContact CE2-O 3.47Å; Y403-L441 HydrophobicContact CE2-CD2 4.29Å; Y403-V466 HydrophobicContact CE1-CG1 4.21Å; Y403-V466 HydrophobicContact CE2-CG1 4.13Å; Y403-V466 HydrophobicContact CE2-CG2 4.24Å; Y403-V466 WeakPolarHBondContact OH-CB 3.31Å; Y403-V466 WeakPolarHBondContact OH-CG2 3.5Å
404P93.7Very high90.7Very high55 Ų5552.4 Ų52.436%0.35728%0.275SS..SBendcis-78.3145.3-6.833.5-35.2000111.7L396 N399 L402 L441L396-P404 HydrophobicContact CD2-CB 3.91Å; L396-P404 HydrophobicContact CD2-CG 4.36Å; N399-P404 WeakPolarHBondContact CB-O 3.36Å; N399-P404 PolarHBondContact ND2-O 3.23Å; L402-P404 CarbonylContact O-C 3.4Å; P404-L441 HydrophobicContact CB-CD2 3.67Å
405G93.8Very high90.4Very high0 Ų054.8 Ų54.80%029%0.289CS..  trans-174-155.3-172.300000113L396 G400 L402 H439L396-G405 CarbonylContact O-C 3.54Å; L396-G405 VanDerWaalsContact O-CA 3.29Å; L396-G405 WeakPolarHBondContact O-CA 3.42Å; G400-G405 CarbonylContact O-C 3.6Å; G400-G405 WeakPolarHBondContact O-CA 3.45Å; L402-G405 VanDerWaalsContact O-CA 3.26Å; L402-G405 WeakPolarHBondContact O-CA 3.27Å; L402-G405 PolarHBondContact O-N 3.37Å; L402-G405 VanDerWaalsContact O-N 3.14Å; G405-H439 VanDerWaalsContact C-ND1 3.3Å; G405-H439 WeakPolarHBondContact CA-ND1 3.18Å; G405-H439 PolarHBondContact N-ND1 2.83Å; G405-H439 PolarHBondContact O-N 3.17Å; G405-H439 PolarHBondContact O-ND1 2.94Å
406A93.6Very high90.2Very high0 Ų055 Ų550%029%0.286CS..EExtended strand (participates in β ladder)trans-145160.5-177.100000113.2L396 G400 L419 V436 E437 R438L396-A406 PolarHBondContact O-N 3.33Å; G400-A406 CarbonylContact C-O 3.59Å; G400-A406 VanDerWaalsContact C-O 3.23Å; G400-A406 PolarHBondContact O-N 3.12Å; A406-L419 HydrophobicContact CB-CD1 3.7Å; A406-L419 WeakPolarHBondContact O-CD1 3.35Å; A406-V436 HydrophobicContact CB-CG1 3.74Å; A406-E437 WeakPolarHBondContact CA-O 3.48Å; A406-E437 WeakPolarHBondContact CB-O 3.45Å; A406-R438 HydrophobicContact CB-CB 4.46Å
407K92.7Very high90Very high33 Ų3356.1 Ų56.114%0.14329%0.291CS..EExtended strand (participates in β ladder)trans-107.6-37.2177.4-61.6174.383.4-175.70113.6N378 T380 T401 L419 E437N378-K407 PolarHBondContact O-NZ 2.74Å; N378-K407 PolarHBondContact OD1-NZ 2.67Å; T380-K407 HydrophobicContact CG2-CB 4.03Å; T380-K407 HydrophobicContact CG2-CD 3.48Å; T380-K407 VanDerWaalsContact CG2-CD 3.48Å; T380-K407 HydrophobicContact CG2-CG 3.87Å; T401-K407 HydrophobicContact CG2-CG 4.47Å; K407-L419 WeakPolarHBondContact O-CB 3.33Å; K407-L419 PolarHBondContact O-N 3.43Å; K407-E437 PolarHBondContact N-O 2.95Å
408F92.8Very high89.9Confident24 Ų2457.5 Ų57.511%0.10530%0.299CS..EExtended strand (participates in β ladder)trans-139.1152.3-176.5-53.7-88000113.1R416 I417 D418 E437F408-R416 HydrophobicContact CB-CG 3.94Å; F408-R416 HydrophobicContact CD1-CG 3.78Å; F408-R416 VanDerWaalsContact CD2-NH2 3.28Å; F408-R416 VanDerWaalsContact CE2-NH2 3.3Å; F408-R416 HydrophobicContact CG-CG 4.05Å; F408-I417 WeakPolarHBondContact CA-O 3.11Å; F408-D418 HydrophobicContact CD1-CB 3.93Å; F408-D418 HydrophobicContact CE1-CB 3.72Å; F408-D418 WeakPolarHBondContact CE1-OD2 3.27Å; F408-E437 HydrophobicContact CB-CB 4.03Å; F408-E437 HydrophobicContact CB-CG 4.3Å; F408-E437 HydrophobicContact CD2-CB 4.31Å; F408-E437 WeakPolarHBondContact CD2-OE2 3.38Å; F408-E437 PolarHBondContact O-N 3.32Å
409I93Very high89.8Confident2 Ų251.5 Ų51.51%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-115.3127.9163.6-55.5170.5000107.1V397 R416 I417 L419 L430 Y434 I435V397-I409 HydrophobicContact CG1-CD1 3.84Å; V397-I409 HydrophobicContact CG2-CD1 4.09Å; V397-I409 HydrophobicContact CG2-CG1 4.14Å; I409-R416 CarbonylContact O-C 3.57Å; I409-R416 WeakPolarHBondContact O-CA 3.32Å; I409-I417 HydrophobicContact CB-CB 4.4Å; I409-I417 PolarHBondContact N-O 3.31Å; I409-I417 PolarHBondContact O-N 2.89Å; I409-L419 HydrophobicContact CD1-CD2 3.95Å; I409-L419 HydrophobicContact CG1-CD1 4.47Å; I409-L419 HydrophobicContact CG1-CD2 4.2Å; I409-L430 HydrophobicContact CD1-CD2 4.03Å; I409-L430 HydrophobicContact CG1-CD2 4.32Å; I409-L430 HydrophobicContact CG2-CD2 4.06Å; I409-Y434 HydrophobicContact CG2-CD2 4.21Å; I409-I435 CarbonylContact C-O 3.58Å; I409-I435 WeakPolarHBondContact CA-O 3.48Å
410V92.4Very high89.6Confident30 Ų3054.6 Ų54.618%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-106.7120.8170.8-175.10000108.5D415 R416 I435V410-D415 WeakPolarHBondContact CA-O 3.45Å; V410-R416 HydrophobicContact CG2-CB 4.19Å; V410-R416 HydrophobicContact CG2-CG 3.94Å; V410-I435 HydrophobicContact CB-CB 4.24Å; V410-I435 PolarHBondContact N-O 3.41Å; V410-I435 PolarHBondContact O-N 2.95Å
411R89.8Confident89.4Confident65 Ų6562.5 Ų62.525%0.24531%0.305CS..  trans-79.8165.1175.8-68.8-176.9175.1163.93.9111N413 G414 D415 I417 D427 Y434R411-N413 VanDerWaalsContact CB-OD1 3.24Å; R411-N413 WeakPolarHBondContact CB-OD1 3.16Å; R411-N413 PolarHBondContact O-N 3.26Å; R411-N413 VanDerWaalsContact O-N 3.1Å; R411-G414 PolarHBondContact O-N 2.98Å; R411-D415 PolarHBondContact N-O 3.39Å; R411-I417 HydrophobicContact CG-CD1 4.45Å; R411-D427 IonicContact CZ-OD1 3.99Å; R411-D427 IonicContact NH1-OD1 3.9Å; R411-D427 IonicContact NH2-OD1 3.26Å; R411-D427 PolarHBondContact NH2-OD1 2.95Å; R411-Y434 HydrophobicContact CB-CD1 4.43Å; R411-Y434 HydrophobicContact CB-CE1 4.12Å; R411-Y434 HydrophobicContact CG-CD2 4.47Å; R411-Y434 HydrophobicContact CG-CE1 4.09Å; R411-Y434 HydrophobicContact CG-CE2 4.07Å
412E87.1Confident88.6Confident124 Ų12462.6 Ų62.658%0.57930%0.3SS*.THydrogen-bonded Turntrans-56.6-27.9179.4-62.5-166148.500114.2G414 Y434E412-G414 PolarHBondContact O-N 3.01Å; E412-Y434 HydrophobicContact CG-CD1 4.15Å; E412-Y434 HydrophobicContact CG-CE1 4.31Å
413N84.6Confident87Confident96 Ų9662.5 Ų62.551%0.51331%0.307SS..THydrogen-bonded Turntrans-77.8-6.6176.767.9-15.5000113.9R411 D415R411-N413 VanDerWaalsContact CB-OD1 3.24Å; R411-N413 WeakPolarHBondContact CB-OD1 3.16Å; R411-N413 PolarHBondContact O-N 3.26Å; R411-N413 VanDerWaalsContact O-N 3.1Å; N413-D415 VanDerWaalsContact ND2-CG 3.25Å; N413-D415 PolarHBondContact ND2-OD2 3.01Å; N413-D415 WeakPolarHBondContact OD1-CB 3.41Å; N413-D415 PolarHBondContact OD1-N 3.12Å
414G84.1Confident86Confident50 Ų5066.3 Ų66.352%0.51533%0.325SS..  trans93.5-1.5-176.400000115R411 E412 R416R411-G414 PolarHBondContact O-N 2.98Å; E412-G414 PolarHBondContact O-N 3.01Å; G414-R416 PolarHBondContact O-N 2.87Å
415D85.7Confident85.1Confident89 Ų8969.2 Ų69.248%0.47634%0.341SS..  trans-66.4121.9178.2-72.5-18000110.6V410 R411 N413V410-D415 WeakPolarHBondContact CA-O 3.45Å; R411-D415 PolarHBondContact N-O 3.39Å; N413-D415 VanDerWaalsContact ND2-CG 3.25Å; N413-D415 PolarHBondContact ND2-OD2 3.01Å; N413-D415 WeakPolarHBondContact OD1-CB 3.41Å; N413-D415 PolarHBondContact OD1-N 3.12Å
416R88.8Confident84Confident136 Ų13672.9 Ų72.951%0.51337%0.366SS..EExtended strand (participates in β ladder)trans-101.7108.1-179.6-172175.1-169.4-144.110.5111F408 I409 V410 G414 E437F408-R416 HydrophobicContact CB-CG 3.94Å; F408-R416 HydrophobicContact CD1-CG 3.78Å; F408-R416 VanDerWaalsContact CD2-NH2 3.28Å; F408-R416 VanDerWaalsContact CE2-NH2 3.3Å; F408-R416 HydrophobicContact CG-CG 4.05Å; I409-R416 CarbonylContact O-C 3.57Å; I409-R416 WeakPolarHBondContact O-CA 3.32Å; V410-R416 HydrophobicContact CG2-CB 4.19Å; V410-R416 HydrophobicContact CG2-CG 3.94Å; G414-R416 PolarHBondContact O-N 2.87Å; R416-E437 IonicContact CZ-OE1 3.49Å; R416-E437 IonicContact CZ-OE2 2.77Å; R416-E437 IonicContact NE-OE1 3.36Å; R416-E437 PolarHBondContact NE-OE1 2.78Å; R416-E437 IonicContact NH2-OE1 3.85Å; R416-E437 PolarHBondContact NH2-OE1 3.17Å; R416-E437 IonicContact NH2-OE2 2.77Å; R416-E437 PolarHBondContact NH2-OE2 3.44Å
417I88.9Confident83Confident29 Ų2974.7 Ų74.715%0.14938%0.376CS..EExtended strand (participates in β ladder)trans-88123.4178.5-58.2168.5000108.7F408 I409 R411 H422 D427F408-I417 WeakPolarHBondContact CA-O 3.11Å; I409-I417 HydrophobicContact CB-CB 4.4Å; I409-I417 PolarHBondContact N-O 3.31Å; I409-I417 PolarHBondContact O-N 2.89Å; R411-I417 HydrophobicContact CG-CD1 4.45Å; I417-H422 HydrophobicContact CG2-CB 4.44Å; I417-D427 HydrophobicContact CD1-CB 4.36Å
418D90Very high82.5Confident33 Ų3374.1 Ų74.118%0.17638%0.375CS..EExtended strand (participates in β ladder)trans-86.3116.5174-168.6-31.9000110.2F408 R420 Y421F408-D418 HydrophobicContact CD1-CB 3.93Å; F408-D418 HydrophobicContact CE1-CB 3.72Å; F408-D418 WeakPolarHBondContact CE1-OD2 3.27Å; D418-R420 PolarHBondContact O-N 3.42Å; D418-R420 VanDerWaalsContact O-N 3.16Å; D418-R420 VanDerWaalsContact OD1-CB 3.24Å; D418-R420 WeakPolarHBondContact OD1-CB 3.24Å; D418-R420 WeakPolarHBondContact OD1-CG 3.46Å; D418-R420 IonicContact OD1-CZ 3.74Å; D418-R420 PolarHBondContact OD1-N 2.99Å; D418-R420 IonicContact OD1-NE 2.78Å; D418-R420 PolarHBondContact OD1-NE 3.42Å; D418-R420 IonicContact OD1-NH2 2.68Å; D418-R420 IonicContact OD2-CZ 3.81Å; D418-R420 IonicContact OD2-NE 3.8Å; D418-R420 PolarHBondContact OD2-NE 2.93Å; D418-R420 IonicContact OD2-NH2 3.73Å; D418-R420 PolarHBondContact OD2-NH2 3.39Å; D418-Y421 CarbonylContact O-C 3.47Å; D418-Y421 PolarHBondContact O-N 2.95Å
419L88.2Confident82.1Confident8 Ų877.1 Ų77.14%0.04240%0.395CS..G310 helixtrans-67-15.8-176.7-68.6172.4000113V397 A406 K407 I409 Y421 H422 L428V397-L419 HydrophobicContact CG1-CD2 4.15Å; V397-L419 HydrophobicContact CG2-CD1 4.4Å; A406-L419 HydrophobicContact CB-CD1 3.7Å; A406-L419 WeakPolarHBondContact O-CD1 3.35Å; K407-L419 WeakPolarHBondContact O-CB 3.33Å; K407-L419 PolarHBondContact O-N 3.43Å; I409-L419 HydrophobicContact CD1-CD2 3.95Å; I409-L419 HydrophobicContact CG1-CD1 4.47Å; I409-L419 HydrophobicContact CG1-CD2 4.2Å; L419-Y421 VanDerWaalsContact C-N 3.31Å; L419-H422 PolarHBondContact O-ND1 3.09Å; L419-L428 HydrophobicContact CD2-CD2 3.57Å
420R86.2Confident82Confident130 Ų13077.7 Ų77.749%0.49140%0.398SS..G310 helixtrans-72.2-24.8172.6-60175.1-65.6165.32.9113.2T401 D418T401-R420 HydrophobicContact CG2-CG 3.5Å; D418-R420 PolarHBondContact O-N 3.42Å; D418-R420 VanDerWaalsContact O-N 3.16Å; D418-R420 VanDerWaalsContact OD1-CB 3.24Å; D418-R420 WeakPolarHBondContact OD1-CB 3.24Å; D418-R420 WeakPolarHBondContact OD1-CG 3.46Å; D418-R420 IonicContact OD1-CZ 3.74Å; D418-R420 PolarHBondContact OD1-N 2.99Å; D418-R420 IonicContact OD1-NE 2.78Å; D418-R420 PolarHBondContact OD1-NE 3.42Å; D418-R420 IonicContact OD1-NH2 2.68Å; D418-R420 IonicContact OD2-CZ 3.81Å; D418-R420 IonicContact OD2-NE 3.8Å; D418-R420 PolarHBondContact OD2-NE 2.93Å; D418-R420 IonicContact OD2-NH2 3.73Å; D418-R420 PolarHBondContact OD2-NH2 3.39Å
421Y83.2Confident81.9Confident178 Ų17881.5 Ų81.570%0.69841%0.414SS*.G310 helixtrans-13750.9-169.4-55-65.2000111.2D418 L419D418-Y421 CarbonylContact O-C 3.47Å; D418-Y421 PolarHBondContact O-N 2.95Å; L419-Y421 VanDerWaalsContact C-N 3.31Å
422H69.5Low82Confident69 Ų6982 Ų8232%0.31942%0.424SS..  trans-100.4128177.171.2-84.1000110.8I417 L419I417-H422 HydrophobicContact CG2-CB 4.44Å; L419-H422 PolarHBondContact O-ND1 3.09Å
423P57.4Low82.2Confident117 Ų11777.6 Ų77.676%0.7641%0.412SS*.  trans-88.9-10-176.432.6-34.4000114.5
424K70.5Confident82.6Confident125 Ų12574.3 Ų74.354%0.54339%0.393SS..  trans-140.2136.5-171.5-59.9174.9-177.7176.10112.6S426 D427K424-S426 WeakPolarHBondContact CB-OG 3.28Å; K424-S426 PolarHBondContact O-N 3.39Å; K424-D427 PolarHBondContact O-N 2.85Å
425V74.5Confident83.1Confident116 Ų11674.1 Ų74.170%0.70338%0.379SS*.G310 helixtrans-64.1-29.5172.4-176.60000111.8D427 L428V425-D427 PolarHBondContact O-N 3.24Å; V425-L428 HydrophobicContact CG1-CD1 4.45Å; V425-L428 WeakPolarHBondContact O-CB 3.26Å; V425-L428 PolarHBondContact O-N 2.65Å; V425-L428 VanDerWaalsContact O-N 3.09Å
426S70.8Confident83.5Confident76 Ų7669.9 Ų69.953%0.53136%0.357SS..G310 helixtrans-61.9-23.6176.760.20000114K424 L428 T429K424-S426 WeakPolarHBondContact CB-OG 3.28Å; K424-S426 PolarHBondContact O-N 3.39Å; S426-L428 VanDerWaalsContact C-N 3.25Å; S426-L428 PolarHBondContact O-N 3.19Å; S426-T429 PolarHBondContact O-OG1 3.26Å
427D73.5Confident83.8Confident39 Ų3964.1 Ų64.121%0.20934%0.336CS..G310 helixtrans-81.2-7.6179.1-68.8-46.9000112.7R411 I417 K424 V425R411-D427 IonicContact CZ-OD1 3.99Å; R411-D427 IonicContact NH1-OD1 3.9Å; R411-D427 IonicContact NH2-OD1 3.26Å; R411-D427 PolarHBondContact NH2-OD1 2.95Å; I417-D427 HydrophobicContact CD1-CB 4.36Å; K424-D427 PolarHBondContact O-N 2.85Å; V425-D427 PolarHBondContact O-N 3.24Å
428L80.7Confident84.1Confident21 Ų2163.2 Ų63.211%0.1133%0.33CS..G310 helixtrans-89.8-13.7-179.5-57177.4000114.1Q394 V397 L419 V425 S426 L430Q394-L428 PolarHBondContact NE2-O 2.94Å; Q394-L428 PolarHBondContact OE1-O 3.01Å; V397-L428 HydrophobicContact CG1-CB 4.04Å; V397-L428 HydrophobicContact CG1-CD2 3.86Å; L419-L428 HydrophobicContact CD2-CD2 3.57Å; V425-L428 HydrophobicContact CG1-CD1 4.45Å; V425-L428 WeakPolarHBondContact O-CB 3.26Å; V425-L428 PolarHBondContact O-N 2.65Å; V425-L428 VanDerWaalsContact O-N 3.09Å; S426-L428 VanDerWaalsContact C-N 3.25Å; S426-L428 PolarHBondContact O-N 3.19Å; L428-L430 PolarHBondContact O-N 2.83Å
429T85.6Confident84.4Confident87 Ų8761.7 Ų61.753%0.53432%0.322SS..  trans-73.1116.4179.855.20000110.3S426S426-T429 PolarHBondContact O-OG1 3.26Å
430L90.3Very high84.7Confident14 Ų1461.3 Ų61.37%0.07332%0.32CS..  trans-76.7150.3-179.1-63.7178.7000112V385 I390 L393 Q394 V397 I409 L428 Y434 V436V385-L430 HydrophobicContact CG1-CB 4.33Å; V385-L430 HydrophobicContact CG2-CB 4.34Å; V385-L430 HydrophobicContact CG2-CD1 4.09Å; V385-L430 HydrophobicContact CG2-CD2 4.34Å; I390-L430 HydrophobicContact CG1-CB 4.38Å; L393-L430 HydrophobicContact CB-CD1 3.64Å; Q394-L430 HydrophobicContact CB-CD1 4.26Å; V397-L430 HydrophobicContact CG2-CD1 4.21Å; V397-L430 HydrophobicContact CG2-CD2 4.26Å; I409-L430 HydrophobicContact CD1-CD2 4.03Å; I409-L430 HydrophobicContact CG1-CD2 4.32Å; I409-L430 HydrophobicContact CG2-CD2 4.06Å; L428-L430 PolarHBondContact O-N 2.83Å; L430-Y434 HydrophobicContact CD2-CD2 4.43Å; L430-V436 HydrophobicContact CD1-CG2 3.8Å; L430-V436 HydrophobicContact CD2-CG2 3.59Å; L430-V436 HydrophobicContact CG-CG2 4.37Å
431Q90.3Very high85.1Confident109 Ų10956.4 Ų56.451%0.50930%0.303SS..  trans-124.3149.2170.3-62.3-177-3.200108.8V385 G433 Y434V385-Q431 WeakPolarHBondContact CB-O 3.34Å; V385-Q431 WeakPolarHBondContact CG1-O 3.15Å; Q431-G433 PolarHBondContact O-N 3.14Å; Q431-Y434 HydrophobicContact CB-CD1 4.14Å; Q431-Y434 HydrophobicContact CB-CD2 4.14Å; Q431-Y434 HydrophobicContact CB-CE1 3.95Å; Q431-Y434 HydrophobicContact CB-CE2 3.92Å; Q431-Y434 HydrophobicContact CB-CG 4.25Å; Q431-Y434 HydrophobicContact CG-CE1 4.45Å; Q431-Y434 HydrophobicContact CG-CE2 3.96Å; Q431-Y434 WeakPolarHBondContact O-CB 3.24Å; Q431-Y434 PolarHBondContact O-N 3.04Å; Q431-Y434 VanDerWaalsContact O-N 3.1Å; Q431-Y434 PolarHBondContact OE1-OH 3.05Å
432V91.9Very high85.8Confident77 Ų7751.4 Ų51.447%0.46729%0.289SS..THydrogen-bonded Turntrans-58.4132.3172.7178.40000108.7V385 Q387V385-V432 WeakPolarHBondContact O-CA 3.41Å; Q387-V432 HydrophobicContact CG-CG2 4.08Å
433G90.7Very high86.9Confident31 Ų3151.4 Ų51.432%0.3229%0.291SS..THydrogen-bonded Turntrans97.8-17.8-173.500000114.9V385 Q431V385-G433 PolarHBondContact O-N 3.46Å; Q431-G433 PolarHBondContact O-N 3.14Å
434Y93.8Very high88.7Confident27 Ų2746.1 Ų46.111%0.10626%0.256CS..  trans-67.7161.1169.3-702.5000111V385 I409 R411 E412 L430 Q431V385-Y434 WeakPolarHBondContact CB-O 3.4Å; V385-Y434 WeakPolarHBondContact CG2-O 3.4Å; V385-Y434 PolarHBondContact N-O 3.24Å; I409-Y434 HydrophobicContact CG2-CD2 4.21Å; R411-Y434 HydrophobicContact CB-CD1 4.43Å; R411-Y434 HydrophobicContact CB-CE1 4.12Å; R411-Y434 HydrophobicContact CG-CD2 4.47Å; R411-Y434 HydrophobicContact CG-CE1 4.09Å; R411-Y434 HydrophobicContact CG-CE2 4.07Å; E412-Y434 HydrophobicContact CG-CD1 4.15Å; E412-Y434 HydrophobicContact CG-CE1 4.31Å; L430-Y434 HydrophobicContact CD2-CD2 4.43Å; Q431-Y434 HydrophobicContact CB-CD1 4.14Å; Q431-Y434 HydrophobicContact CB-CD2 4.14Å; Q431-Y434 HydrophobicContact CB-CE1 3.95Å; Q431-Y434 HydrophobicContact CB-CE2 3.92Å; Q431-Y434 HydrophobicContact CB-CG 4.25Å; Q431-Y434 HydrophobicContact CG-CE1 4.45Å; Q431-Y434 HydrophobicContact CG-CE2 3.96Å; Q431-Y434 WeakPolarHBondContact O-CB 3.24Å; Q431-Y434 PolarHBondContact O-N 3.04Å; Q431-Y434 VanDerWaalsContact O-N 3.1Å; Q431-Y434 PolarHBondContact OE1-OH 3.05Å
435I94.3Very high90Very high46 Ų4642.3 Ų42.324%0.23624%0.24CC..EExtended strand (participates in β ladder)trans-117.6128175.1-55.5176.3000108.8P382 E383 I384 I409 V410P382-I435 HydrophobicContact CB-CG2 3.55Å; E383-I435 WeakPolarHBondContact O-CA 3.42Å; I384-I435 HydrophobicContact CG1-CG1 4.26Å; I409-I435 CarbonylContact C-O 3.58Å; I409-I435 WeakPolarHBondContact CA-O 3.48Å; V410-I435 HydrophobicContact CB-CB 4.24Å; V410-I435 PolarHBondContact N-O 3.41Å; V410-I435 PolarHBondContact O-N 2.95Å
436V94.5Very high91Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-105.8117.1174.9178.30000109.1E383 V385 L393 V397 A406 L430 R438E383-V436 PolarHBondContact N-O 3.22Å; E383-V436 PolarHBondContact O-N 2.99Å; V385-V436 HydrophobicContact CG2-CG2 3.86Å; L393-V436 HydrophobicContact CB-CG2 4.29Å; L393-V436 HydrophobicContact CD1-CB 4.33Å; L393-V436 HydrophobicContact CD1-CG2 4.31Å; L393-V436 HydrophobicContact CD2-CB 4.32Å; L393-V436 HydrophobicContact CD2-CG1 4.44Å; V397-V436 HydrophobicContact CG2-CG1 3.83Å; V397-V436 HydrophobicContact CG2-CG2 4.14Å; A406-V436 HydrophobicContact CB-CG1 3.74Å; L430-V436 HydrophobicContact CD1-CG2 3.8Å; L430-V436 HydrophobicContact CD2-CG2 3.59Å; L430-V436 HydrophobicContact CG-CG2 4.37Å; V436-R438 VanDerWaalsContact C-N 3.26Å; V436-R438 HydrophobicContact CG1-CB 4.48Å; V436-R438 PolarHBondContact O-N 2.92Å
437E94.8Very high92.2Very high15 Ų1535 Ų357%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-7879.2169.9-75.4-173.4-122.900109.7T380 P382 A406 K407 F408 R416T380-E437 HydrophobicContact CG2-CB 4.07Å; T380-E437 WeakPolarHBondContact CG2-O 3.45Å; T380-E437 PolarHBondContact OG1-OE2 2.97Å; P382-E437 HydrophobicContact CB-CG 4.36Å; A406-E437 WeakPolarHBondContact CA-O 3.48Å; A406-E437 WeakPolarHBondContact CB-O 3.45Å; K407-E437 PolarHBondContact N-O 2.95Å; F408-E437 HydrophobicContact CB-CB 4.03Å; F408-E437 HydrophobicContact CB-CG 4.3Å; F408-E437 HydrophobicContact CD2-CB 4.31Å; F408-E437 WeakPolarHBondContact CD2-OE2 3.38Å; F408-E437 PolarHBondContact O-N 3.32Å; R416-E437 IonicContact CZ-OE1 3.49Å; R416-E437 IonicContact CZ-OE2 2.77Å; R416-E437 IonicContact NE-OE1 3.36Å; R416-E437 PolarHBondContact NE-OE1 2.78Å; R416-E437 IonicContact NH2-OE1 3.85Å; R416-E437 PolarHBondContact NH2-OE1 3.17Å; R416-E437 IonicContact NH2-OE2 2.77Å; R416-E437 PolarHBondContact NH2-OE2 3.44Å
438R94.9Very high93.3Very high10 Ų1033.1 Ų33.14%0.03818%0.18CC..EExtended strand (participates in β ladder)trans-72.9156.3175.864.4161.3-178.981.2-6.3111.7T380 Y381 E383 L396 A406 V436 D444T380-R438 CarbonylContact C-O 3.59Å; T380-R438 WeakPolarHBondContact CA-O 3.46Å; T380-R438 WeakPolarHBondContact CB-O 3.35Å; T380-R438 WeakPolarHBondContact CG2-O 3.19Å; Y381-R438 PolarHBondContact N-O 2.97Å; Y381-R438 PolarHBondContact O-N 2.92Å; Y381-R438 VanDerWaalsContact O-N 3.12Å; E383-R438 IonicContact OE2-CZ 2.89Å; E383-R438 IonicContact OE2-NE 3.37Å; E383-R438 PolarHBondContact OE2-NE 3.43Å; E383-R438 IonicContact OE2-NH2 3.1Å; E383-R438 PolarHBondContact OE2-NH2 3.44Å; L396-R438 HydrophobicContact CD1-CB 3.88Å; A406-R438 HydrophobicContact CB-CB 4.46Å; V436-R438 VanDerWaalsContact C-N 3.26Å; V436-R438 HydrophobicContact CG1-CB 4.48Å; V436-R438 PolarHBondContact O-N 2.92Å; R438-D444 IonicContact CZ-OD1 3.94Å; R438-D444 IonicContact CZ-OD2 2.69Å; R438-D444 IonicContact NH1-OD1 3.76Å; R438-D444 IonicContact NH1-OD2 2.9Å; R438-D444 PolarHBondContact NH1-OD2 2.99Å; R438-D444 IonicContact NH2-OD1 3.09Å; R438-D444 PolarHBondContact NH2-OD1 3.46Å; R438-D444 IonicContact NH2-OD2 3.47Å; R438-D444 PolarHBondContact NH2-OD2 3.09Å
439H96.6Very high94Very high1 Ų132.5 Ų32.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-58.4156.2168-60.7147.6000111.2A376 Q377 T401 L402 Y403 G405 L441A376-H439 WeakPolarHBondContact O-CB 3.42Å; Q377-H439 PolarHBondContact O-CD2 2.8Å; Q377-H439 PolarHBondContact O-NE2 2.94Å; T401-H439 PolarHBondContact O-CE1 2.96Å; L402-H439 PolarHBondContact O-CE1 2.65Å; L402-H439 VanDerWaalsContact O-CE1 3.29Å; L402-H439 PolarHBondContact O-ND1 2.8Å; Y403-H439 HydrophobicContact CD2-CB 4.45Å; G405-H439 VanDerWaalsContact C-ND1 3.3Å; G405-H439 WeakPolarHBondContact CA-ND1 3.18Å; G405-H439 PolarHBondContact N-ND1 2.83Å; G405-H439 PolarHBondContact O-N 3.17Å; G405-H439 PolarHBondContact O-ND1 2.94Å; H439-L441 PolarHBondContact O-N 3.21Å
440M95.2Very high94.3Very high0 Ų030.3 Ų30.30%016%0.159CC..PPolyproline II helixtrans-61.4129.9167.1179.2-169.5-72.500109.7V371 A376 L379 Y403 V446 V464 L493 L495V371-M440 HydrophobicContact CB-SD 4.46Å; V371-M440 HydrophobicContact CG1-SD 3.93Å; V371-M440 HydrophobicContact CG2-SD 4.32Å; A376-M440 HydrophobicContact CB-CB 4.3Å; A376-M440 PolarHBondContact O-N 3.4Å; L379-M440 HydrophobicContact CB-CE 4.02Å; L379-M440 HydrophobicContact CD1-CE 3.5Å; L379-M440 HydrophobicContact CG-CE 4.42Å; L379-M440 PolarHBondContact O-N 3.48Å; L379-M440 VanDerWaalsContact O-N 3.16Å; Y403-M440 WeakPolarHBondContact CE2-O 3.47Å; M440-V446 HydrophobicContact CE-CG1 3.93Å; M440-V464 HydrophobicContact CG-CB 4.41Å; M440-V464 HydrophobicContact CG-CG1 4.01Å; M440-V464 HydrophobicContact CG-CG2 4.02Å; M440-V464 HydrophobicContact SD-CB 4.31Å; M440-V464 HydrophobicContact SD-CG1 3.79Å; M440-V464 HydrophobicContact SD-CG2 3.6Å; M440-L493 HydrophobicContact CE-CD2 3.7Å; M440-L495 HydrophobicContact CB-CD2 4.45Å; M440-L495 HydrophobicContact CE-CB 4.1Å; M440-L495 HydrophobicContact CE-CD1 4.16Å; M440-L495 HydrophobicContact CE-CD2 3.93Å; M440-L495 HydrophobicContact CE-CG 4.29Å
441L95.2Very high94.2Very high27 Ų2733.8 Ų33.814%0.14118%0.175CC..  trans-109.8176.5-178-62.7179.1000111.1L396 Y403 P404 H439 D444 V464L396-L441 HydrophobicContact CD1-CD1 4.37Å; Y403-L441 HydrophobicContact CE2-CD2 4.29Å; P404-L441 HydrophobicContact CB-CD2 3.67Å; H439-L441 PolarHBondContact O-N 3.21Å; L441-D444 PolarHBondContact N-OD2 3.49Å; L441-V464 WeakPolarHBondContact O-CB 3.48Å; L441-V464 WeakPolarHBondContact O-CG1 3.36Å
442N95.9Very high94Very high73 Ų7333 Ų3339%0.3918%0.179SC..THydrogen-bonded Turntrans-61.5147.2167.8-69.5-34.5000110.4D444 V464 V466N442-D444 PolarHBondContact O-N 3.35Å; N442-D444 VanDerWaalsContact O-N 3.13Å; N442-V464 CarbonylContact C-O 3.12Å; N442-V464 WeakPolarHBondContact CA-O 3.45Å; N442-V466 PolarHBondContact OD1-N 3.28Å
443D94.3Very high93.8Very high69 Ų6932 Ų3237%0.36917%0.174SC..THydrogen-bonded Turntrans61.710.5178.1-62.5-78.2000115.7R463 V464D443-R463 WeakPolarHBondContact OD1-CD 3.26Å; D443-R463 IonicContact OD1-CZ 3.64Å; D443-R463 IonicContact OD1-NE 3.33Å; D443-R463 IonicContact OD1-NH1 2.72Å; D443-R463 PolarHBondContact OD1-NH1 3Å; D443-V464 PolarHBondContact N-O 2.88Å
444D95.4Very high93.5Very high6 Ų631.8 Ų31.83%0.03217%0.165CC..  trans-63.8141.5160.4-84.9-40.5000110.7R438 L441 N442 R463 V464 K502R438-D444 IonicContact CZ-OD1 3.94Å; R438-D444 IonicContact CZ-OD2 2.69Å; R438-D444 IonicContact NH1-OD1 3.76Å; R438-D444 IonicContact NH1-OD2 2.9Å; R438-D444 PolarHBondContact NH1-OD2 2.99Å; R438-D444 IonicContact NH2-OD1 3.09Å; R438-D444 PolarHBondContact NH2-OD1 3.46Å; R438-D444 IonicContact NH2-OD2 3.47Å; R438-D444 PolarHBondContact NH2-OD2 3.09Å; L441-D444 PolarHBondContact N-OD2 3.49Å; N442-D444 PolarHBondContact O-N 3.35Å; N442-D444 VanDerWaalsContact O-N 3.13Å; D444-R463 CarbonylContact O-C 3.23Å; D444-R463 WeakPolarHBondContact O-CA 3.39Å; D444-V464 HydrophobicContact CB-CG2 4.42Å; D444-V464 WeakPolarHBondContact O-CG2 3.42Å; D444-V464 PolarHBondContact O-N 3.02Å; D444-K502 IonicContact OD1-NZ 2.99Å; D444-K502 PolarHBondContact OD1-NZ 3.12Å; D444-K502 VanDerWaalsContact OD1-NZ 3.1Å
445F96.1Very high93.2Very high45 Ų4531.6 Ų31.620%0.19717%0.165CC..EExtended strand (participates in β ladder)trans-85.6132.9177-65.8-67.8000111.2H462 R463 P496 K502F445-H462 WeakPolarHBondContact CA-O 3.47Å; F445-R463 HydrophobicContact CD1-CG 3.76Å; F445-R463 HydrophobicContact CE1-CG 3.48Å; F445-R463 VanDerWaalsContact CE1-CG 3.48Å; F445-R463 HydrophobicContact CZ-CG 4.35Å; F445-P496 WeakPolarHBondContact O-CD 3.35Å; F445-P496 VanDerWaalsContact O-CG 3.27Å; F445-P496 WeakPolarHBondContact O-CG 3.46Å; F445-K502 HydrophobicContact CB-CG 4.4Å; F445-K502 HydrophobicContact CD2-CG 4.06Å
446V96.5Very high93Very high0 Ų032.6 Ų32.60%017%0.168CC..EExtended strand (participates in β ladder)trans-134.4148.5178.6-65.20000110.5V369 M440 C461 H462 V464 L493 L495V369-V446 HydrophobicContact CG1-CG2 3.75Å; M440-V446 HydrophobicContact CE-CG1 3.93Å; V446-C461 VanDerWaalsContact O-CA 3.29Å; V446-C461 WeakPolarHBondContact O-CA 3.31Å; V446-H462 HydrophobicContact CG2-CB 4.38Å; V446-H462 WeakPolarHBondContact CG2-O 3.37Å; V446-H462 PolarHBondContact N-O 3.42Å; V446-H462 PolarHBondContact O-N 3.07Å; V446-V464 HydrophobicContact CB-CG2 4.31Å; V446-V464 HydrophobicContact CG1-CG2 3.5Å; V446-V464 HydrophobicContact CG2-CG2 3.79Å; V446-L493 HydrophobicContact CB-CD1 4.38Å; V446-L493 HydrophobicContact CB-CD2 4.05Å; V446-L493 HydrophobicContact CB-CG 4.01Å; V446-L493 HydrophobicContact CG1-CD2 3.9Å; V446-L493 HydrophobicContact CG1-CG 4.34Å; V446-L493 HydrophobicContact CG2-CD1 3.98Å; V446-L493 HydrophobicContact CG2-CG 4.06Å; V446-L495 HydrophobicContact CG1-CD1 3.98Å
447I96.4Very high92.9Very high37 Ų3732.6 Ų32.619%0.1917%0.168CC..EExtended strand (participates in β ladder)trans-84.6132.9166.5-64.5167.3000108.2M459 L493 H494 I505I447-M459 HydrophobicContact CG2-CB 4.38Å; I447-M459 HydrophobicContact CG2-CE 3.86Å; I447-L493 CarbonylContact O-C 3.51Å; I447-L493 WeakPolarHBondContact O-CA 3.49Å; I447-H494 HydrophobicContact CB-CB 4.34Å; I447-H494 PolarHBondContact N-O 3.24Å; I447-H494 PolarHBondContact O-N 3.48Å; I447-I505 HydrophobicContact CD1-CD1 3.47Å; I447-I505 VanDerWaalsContact CD1-CD1 3.47Å; I447-I505 HydrophobicContact CD1-CG1 3.94Å; I447-I505 HydrophobicContact CD1-CG2 4.48Å; I447-I505 HydrophobicContact CG1-CD1 3.79Å; I447-I505 HydrophobicContact CG1-CG1 4.16Å; I447-I505 HydrophobicContact CG1-CG2 3.79Å
448F95.9Very high92.8Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-122.5130.5175.9-161.9-128.1000110.5I358 V369 M460 F472 L474 Y482 M491 N492 L493I358-F448 HydrophobicContact CG2-CE1 4.38Å; I358-F448 HydrophobicContact CG2-CZ 3.91Å; V369-F448 HydrophobicContact CG2-CD1 4.31Å; V369-F448 HydrophobicContact CG2-CD2 4.48Å; V369-F448 HydrophobicContact CG2-CE1 4.15Å; V369-F448 HydrophobicContact CG2-CE2 4.34Å; V369-F448 HydrophobicContact CG2-CG 4.48Å; V369-F448 HydrophobicContact CG2-CZ 4.16Å; F448-M460 PolarHBondContact N-O 2.77Å; F448-M460 PolarHBondContact O-N 2.73Å; F448-M460 VanDerWaalsContact O-N 3.1Å; F448-F472 HydrophobicContact CE2-CB 4.37Å; F448-F472 AromaticContact CE2-CD2 3.51Å; F448-F472 HydrophobicContact CE2-CD2 3.51Å; F448-F472 AromaticContact CE2-CE2 3.84Å; F448-F472 HydrophobicContact CE2-CE2 3.84Å; F448-F472 AromaticContact CE2-CG 3.94Å; F448-F472 HydrophobicContact CE2-CG 3.94Å; F448-F472 HydrophobicContact CZ-CB 3.95Å; F448-F472 AromaticContact CZ-CD2 3.82Å; F448-F472 HydrophobicContact CZ-CD2 3.82Å; F448-F472 HydrophobicContact CZ-CG 4.04Å; F448-L474 HydrophobicContact CE1-CD2 3.89Å; F448-Y482 HydrophobicContact CD1-CE2 4.17Å; F448-Y482 WeakPolarHBondContact O-CE1 3.49Å; F448-Y482 PolarHBondContact O-OH 3Å; F448-M491 HydrophobicContact CD1-CE 3.33Å; F448-M491 HydrophobicContact CD1-SD 4.27Å; F448-M491 HydrophobicContact CE1-CB 3.98Å; F448-M491 HydrophobicContact CE1-CE 3.25Å; F448-M491 HydrophobicContact CE1-CG 4.4Å; F448-M491 HydrophobicContact CE1-SD 3.57Å; F448-M491 VanDerWaalsContact CE1-SD 3.57Å; F448-M491 HydrophobicContact CE2-CB 3.7Å; F448-M491 HydrophobicContact CG-CE 4.06Å; F448-M491 HydrophobicContact CZ-CB 3.39Å; F448-M491 HydrophobicContact CZ-CE 3.93Å; F448-M491 HydrophobicContact CZ-CG 4.23Å; F448-M491 HydrophobicContact CZ-SD 3.96Å; F448-N492 WeakPolarHBondContact CA-O 3.38Å; F448-N492 VanDerWaalsContact CD2-O 3.26Å; F448-N492 WeakPolarHBondContact CD2-O 3.47Å; F448-L493 HydrophobicContact CD2-CB 3.96Å; F448-L493 HydrophobicContact CD2-CG 4.5Å; F448-L493 HydrophobicContact CE2-CB 4.3Å
449N94.9Very high92.8Very high9 Ų935.3 Ų35.35%0.04818%0.182CC..EExtended strand (participates in β ladder)trans-138.7150.5-176.773.50.8000115T453 S458 M459 M491 N492N449-T453 HydrophobicContact CB-CG2 4.26Å; N449-S458 VanDerWaalsContact CA-O 3.28Å; N449-S458 WeakPolarHBondContact CA-O 3.37Å; N449-S458 VanDerWaalsContact CB-O 3.28Å; N449-S458 WeakPolarHBondContact CB-O 3.2Å; N449-M459 HydrophobicContact CB-CB 4.31Å; N449-M459 HydrophobicContact CB-CE 4.48Å; N449-M459 HydrophobicContact CB-CG 3.68Å; N449-M491 VanDerWaalsContact C-CE 3.48Å; N449-M491 WeakPolarHBondContact O-CA 3.22Å; N449-M491 WeakPolarHBondContact O-CB 3.16Å; N449-N492 PolarHBondContact N-O 2.97Å; N449-N492 PolarHBondContact O-N 2.93Å; N449-N492 VanDerWaalsContact OD1-CB 3.31Å; N449-N492 WeakPolarHBondContact OD1-CB 3.18Å; N449-N492 PolarHBondContact OD1-ND2 3.35Å; N449-N492 PolarHBondContact OD1-O 3.39Å
450R92.6Very high92.8Very high41 Ų4135.2 Ų35.216%0.15518%0.182CC..  trans-110.3138167.3-172.3155.8170.4-92.912.2109.6P452 T453 S458 Y482 N483 D489 M491R450-P452 CarbonylContact O-C 3.59Å; R450-T453 WeakPolarHBondContact O-CG2 3.32Å; R450-S458 PolarHBondContact N-O 3.15Å; R450-Y482 HydrophobicContact CB-CD1 4.16Å; R450-Y482 HydrophobicContact CB-CG 4.48Å; R450-Y482 WeakPolarHBondContact CD-O 3.32Å; R450-Y482 PolarHBondContact NH1-O 3.25Å; R450-N483 VanDerWaalsContact NH1-C 3.27Å; R450-N483 PolarHBondContact NH1-O 2.86Å; R450-N483 PolarHBondContact NH2-O 2.83Å; R450-D489 IonicContact CZ-OD1 3.57Å; R450-D489 IonicContact CZ-OD2 3.91Å; R450-D489 VanDerWaalsContact CZ-OD2 3.27Å; R450-D489 IonicContact NE-OD1 2.73Å; R450-D489 PolarHBondContact NE-OD1 3.2Å; R450-D489 IonicContact NE-OD2 3.5Å; R450-D489 PolarHBondContact NE-OD2 3.32Å; R450-D489 VanDerWaalsContact NH2-CG 3.29Å; R450-D489 IonicContact NH2-OD1 3.69Å; R450-D489 PolarHBondContact NH2-OD1 2.73Å; R450-D489 IonicContact NH2-OD2 3.52Å; R450-D489 PolarHBondContact NH2-OD2 3.19Å; R450-M491 HydrophobicContact CB-CE 3.93Å; R450-M491 HydrophobicContact CB-CG 3.87Å; R450-M491 HydrophobicContact CB-SD 4.09Å; R450-M491 HydrophobicContact CG-CG 4.14Å
451Q87.3Confident92.8Very high87 Ų8735.3 Ų35.341%0.40718%0.182SC..SBendtrans-99139.6174.9-67.9178.39.400109.2N492Q451-N492 PolarHBondContact NE2-ND2 3.29Å
452P86.7Confident92.9Very high92 Ų9234 Ų3460%0.59718%0.176SC*.SBendcis-74.8136.9-1.131.3-34.9000113R450 L454R450-P452 CarbonylContact O-C 3.59Å; P452-L454 HydrophobicContact CB-CD2 4.2Å; P452-L454 HydrophobicContact CG-CD2 4.36Å; P452-L454 HydrophobicContact CG-CG 4.4Å; P452-L454 PolarHBondContact O-N 3.1Å
453T87.2Confident93Very high57 Ų5732.9 Ų32.935%0.3517%0.166SC..  trans-80.799.8176.451.40000110N449 R450 M459N449-T453 HydrophobicContact CB-CG2 4.26Å; R450-T453 WeakPolarHBondContact O-CG2 3.32Å; T453-M459 HydrophobicContact CG2-CG 3.75Å; T453-M459 HydrophobicContact CG2-SD 4.11Å
454L84.6Confident93.1Very high26 Ų2629.6 Ų29.614%0.13615%0.148CC..  trans-91.9-27.3-173.2-61.9-179.9000114P452 S458 Q851 E1087 T1090P452-L454 HydrophobicContact CB-CD2 4.2Å; P452-L454 HydrophobicContact CG-CD2 4.36Å; P452-L454 HydrophobicContact CG-CG 4.4Å; P452-L454 PolarHBondContact O-N 3.1Å; L454-S458 PolarHBondContact N-OG 3.2Å; L454-Q851 PolarHBondContact O-NE2 3.01Å; L454-E1087 HydrophobicContact CB-CB 4.42Å; L454-E1087 HydrophobicContact CB-CG 4.26Å; L454-T1090 HydrophobicContact CD1-CG2 3.86Å
455H88.3Confident93.2Very high23 Ų2333 Ų3311%0.10616%0.163CC..SBendtrans-145.8168.9-175.558.698.9000111M457 S458 P481 Q1083 E1087H455-M457 VanDerWaalsContact C-N 3.32Å; H455-M457 PolarHBondContact ND1-N 3.16Å; H455-M457 PolarHBondContact O-N 3.07Å; H455-S458 PolarHBondContact CD2-OG 3.41Å; H455-S458 PolarHBondContact CE1-N 2.78Å; H455-S458 PolarHBondContact N-OG 3Å; H455-S458 PolarHBondContact NE2-OG 2.57Å; H455-S458 VanDerWaalsContact O-CB 3.29Å; H455-S458 WeakPolarHBondContact O-CB 3.23Å; H455-S458 PolarHBondContact O-N 3.38Å; H455-S458 PolarHBondContact O-OG 2.93Å; H455-S458 VanDerWaalsContact O-OG 3.1Å; H455-P481 PolarHBondContact CE1-O 2.92Å; H455-P481 PolarHBondContact NE2-O 3.01Å; H455-P481 VanDerWaalsContact NE2-O 3.13Å; H455-Q1083 HydrophobicContact CB-CB 4.49Å; H455-E1087 HydrophobicContact CB-CB 4.4Å; H455-E1087 HydrophobicContact CB-CG 4.19Å
456K90.7Very high93.2Very high66 Ų6631.6 Ų31.629%0.28716%0.158SC..G310 helixtrans-56.4-41.3-175.174175-176.9175.60113.5S458 M459 L1080K456-S458 PolarHBondContact O-N 2.84Å; K456-S458 VanDerWaalsContact O-N 3.15Å; K456-M459 PolarHBondContact O-N 3.39Å; K456-L1080 HydrophobicContact CD-CD1 3.99Å
457M92.7Very high93.1Very high1 Ų133 Ų331%0.00517%0.165CC..G310 helixtrans-70.3-4.1177-53.480.5177.500114.7H455 M459 M460 P481 L514H455-M457 VanDerWaalsContact C-N 3.32Å; H455-M457 PolarHBondContact ND1-N 3.16Å; H455-M457 PolarHBondContact O-N 3.07Å; M457-M459 PolarHBondContact O-N 3.45Å; M457-M460 HydrophobicContact CB-CG 4.35Å; M457-M460 HydrophobicContact CB-SD 3.85Å; M457-M460 HydrophobicContact CG-SD 4.35Å; M457-M460 WeakPolarHBondContact O-CE 3.16Å; M457-M460 WeakPolarHBondContact O-CG 3.47Å; M457-P481 HydrophobicContact CB-CB 3.82Å; M457-L514 HydrophobicContact CG-CB 4.16Å
458S92.1Very high93Very high4 Ų435 Ų353%0.02818%0.181CC..G310 helixtrans-71.4-8.2166.1-43.90000112.5N449 R450 L454 H455 K456 Y482N449-S458 VanDerWaalsContact CA-O 3.28Å; N449-S458 WeakPolarHBondContact CA-O 3.37Å; N449-S458 VanDerWaalsContact CB-O 3.28Å; N449-S458 WeakPolarHBondContact CB-O 3.2Å; R450-S458 PolarHBondContact N-O 3.15Å; L454-S458 PolarHBondContact N-OG 3.2Å; H455-S458 PolarHBondContact CD2-OG 3.41Å; H455-S458 PolarHBondContact CE1-N 2.78Å; H455-S458 PolarHBondContact N-OG 3Å; H455-S458 PolarHBondContact NE2-OG 2.57Å; H455-S458 VanDerWaalsContact O-CB 3.29Å; H455-S458 WeakPolarHBondContact O-CB 3.23Å; H455-S458 PolarHBondContact O-N 3.38Å; H455-S458 PolarHBondContact O-OG 2.93Å; H455-S458 VanDerWaalsContact O-OG 3.1Å; K456-S458 PolarHBondContact O-N 2.84Å; K456-S458 VanDerWaalsContact O-N 3.15Å; S458-Y482 WeakPolarHBondContact O-CE1 3.24Å
459M94.5Very high92.9Very high77 Ų7741.4 Ų41.438%0.37921%0.205SC..EExtended strand (participates in β ladder)trans-133.6109.1173.8-59.2-166.154.400109.6I447 N449 T453 K456 M457I447-M459 HydrophobicContact CG2-CB 4.38Å; I447-M459 HydrophobicContact CG2-CE 3.86Å; N449-M459 HydrophobicContact CB-CB 4.31Å; N449-M459 HydrophobicContact CB-CE 4.48Å; N449-M459 HydrophobicContact CB-CG 3.68Å; T453-M459 HydrophobicContact CG2-CG 3.75Å; T453-M459 HydrophobicContact CG2-SD 4.11Å; K456-M459 PolarHBondContact O-N 3.39Å; M457-M459 PolarHBondContact O-N 3.45Å
460M96.2Very high92.9Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-134.8157.3-176.1-55.5-172.5-75.500111.9F448 M457 V478 P481 Y482 V511 L514 M525F448-M460 PolarHBondContact N-O 2.77Å; F448-M460 PolarHBondContact O-N 2.73Å; F448-M460 VanDerWaalsContact O-N 3.1Å; M457-M460 HydrophobicContact CB-CG 4.35Å; M457-M460 HydrophobicContact CB-SD 3.85Å; M457-M460 HydrophobicContact CG-SD 4.35Å; M457-M460 WeakPolarHBondContact O-CE 3.16Å; M457-M460 WeakPolarHBondContact O-CG 3.47Å; M460-V478 HydrophobicContact CE-CG1 3.38Å; M460-P481 HydrophobicContact CE-CB 3.99Å; M460-P481 HydrophobicContact CE-CG 3.73Å; M460-Y482 HydrophobicContact CE-CD2 4.31Å; M460-Y482 HydrophobicContact CE-CE1 4.03Å; M460-Y482 HydrophobicContact CE-CE2 3.69Å; M460-V511 HydrophobicContact CB-CG2 3.72Å; M460-V511 HydrophobicContact CE-CG2 4.34Å; M460-V511 HydrophobicContact SD-CG2 4.26Å; M460-L514 HydrophobicContact CB-CD1 4.24Å; M460-L514 HydrophobicContact CG-CD1 3.68Å; M460-L514 HydrophobicContact SD-CB 4.15Å; M460-L514 HydrophobicContact SD-CD1 4.11Å; M460-M525 HydrophobicContact CE-CE 4.09Å; M460-M525 HydrophobicContact SD-CE 3.62Å
461C96.4Very high93.1Very high1 Ų144.9 Ų44.91%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-90125.3177.4177.60000112.5V446 I505 A509 V511V446-C461 VanDerWaalsContact O-CA 3.29Å; V446-C461 WeakPolarHBondContact O-CA 3.31Å; C461-I505 HydrophobicContact CB-CG2 3.4Å; C461-I505 VanDerWaalsContact SG-CG2 3.55Å; C461-A509 HydrophobicContact CB-CB 4.27Å; C461-A509 PolarHBondContact N-O 3.45Å; C461-V511 VanDerWaalsContact O-CG2 3.31Å; C461-V511 WeakPolarHBondContact O-CG2 3.19Å; C461-V511 PolarHBondContact O-N 2.84Å
462H96.9Very high93.5Very high1 Ų140.8 Ų40.81%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-116.1154.7173.2-66.9-105.9000110.6D367 V369 F445 V446 Y482 V511D367-H462 CarbonylContact O-C 3.56Å; D367-H462 WeakPolarHBondContact O-CA 3.2Å; V369-H462 HydrophobicContact CB-CB 3.85Å; V369-H462 HydrophobicContact CG1-CB 3.59Å; F445-H462 WeakPolarHBondContact CA-O 3.47Å; V446-H462 HydrophobicContact CG2-CB 4.38Å; V446-H462 WeakPolarHBondContact CG2-O 3.37Å; V446-H462 PolarHBondContact N-O 3.42Å; V446-H462 PolarHBondContact O-N 3.07Å; H462-Y482 AromaticContact NE2-CE2 3.86Å; H462-Y482 AromaticContact NE2-CZ 3.85Å; H462-Y482 PolarHBondContact NE2-OH 3.4Å; H462-V511 WeakPolarHBondContact NE2-CG2 3.24Å
463R96.6Very high94Very high49 Ų4938.7 Ų38.719%0.18520%0.196CC..EExtended strand (participates in β ladder)trans-85.3137163.9-71.9-173.3-65.6149.8-10.2110.1D367 Q368 V369 D443 D444 F445D367-R463 PolarHBondContact O-N 3.46Å; D367-R463 IonicContact OD1-CZ 2.67Å; D367-R463 IonicContact OD1-NE 2.84Å; D367-R463 PolarHBondContact OD1-NE 3.09Å; D367-R463 IonicContact OD1-NH2 3.78Å; D367-R463 PolarHBondContact OD1-NH2 2.71Å; D367-R463 IonicContact OD2-CZ 3.81Å; D367-R463 IonicContact OD2-NE 2.87Å; D367-R463 PolarHBondContact OD2-NE 2.73Å; D367-R463 IonicContact OD2-NH2 2.68Å; D367-R463 PolarHBondContact OD2-NH2 3.47Å; Q368-R463 VanDerWaalsContact CA-O 3.31Å; Q368-R463 WeakPolarHBondContact CA-O 3.45Å; Q368-R463 HydrophobicContact CG-CB 4.17Å; V369-R463 PolarHBondContact N-O 3.27Å; D443-R463 WeakPolarHBondContact OD1-CD 3.26Å; D443-R463 IonicContact OD1-CZ 3.64Å; D443-R463 IonicContact OD1-NE 3.33Å; D443-R463 IonicContact OD1-NH1 2.72Å; D443-R463 PolarHBondContact OD1-NH1 3Å; D444-R463 CarbonylContact O-C 3.23Å; D444-R463 WeakPolarHBondContact O-CA 3.39Å; F445-R463 HydrophobicContact CD1-CG 3.76Å; F445-R463 HydrophobicContact CE1-CG 3.48Å; F445-R463 VanDerWaalsContact CE1-CG 3.48Å; F445-R463 HydrophobicContact CZ-CG 4.35Å
464V97.1Very high94.3Very high0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-74.6134.8179.6171.40000111.1V371 M440 L441 N442 D443 D444 V446 V466V371-V464 HydrophobicContact CB-CG1 4Å; V371-V464 HydrophobicContact CG2-CB 4.48Å; V371-V464 HydrophobicContact CG2-CG1 3.85Å; V371-V464 HydrophobicContact CG2-CG2 4.17Å; M440-V464 HydrophobicContact CG-CB 4.41Å; M440-V464 HydrophobicContact CG-CG1 4.01Å; M440-V464 HydrophobicContact CG-CG2 4.02Å; M440-V464 HydrophobicContact SD-CB 4.31Å; M440-V464 HydrophobicContact SD-CG1 3.79Å; M440-V464 HydrophobicContact SD-CG2 3.6Å; L441-V464 WeakPolarHBondContact O-CB 3.48Å; L441-V464 WeakPolarHBondContact O-CG1 3.36Å; N442-V464 CarbonylContact C-O 3.12Å; N442-V464 WeakPolarHBondContact CA-O 3.45Å; D443-V464 PolarHBondContact N-O 2.88Å; D444-V464 HydrophobicContact CB-CG2 4.42Å; D444-V464 WeakPolarHBondContact O-CG2 3.42Å; D444-V464 PolarHBondContact O-N 3.02Å; V446-V464 HydrophobicContact CB-CG2 4.31Å; V446-V464 HydrophobicContact CG1-CG2 3.5Å; V446-V464 HydrophobicContact CG2-CG2 3.79Å; V464-V466 HydrophobicContact CG1-CG2 3.71Å
465K97Very high94.8Very high77 Ų7734.8 Ų34.834%0.33517%0.173SC..EExtended strand (participates in β ladder)trans-120111.1162.4-170.369173.2-171.80108.9L364 V369 G370 V371 L467L364-K465 HydrophobicContact CD2-CB 4.15Å; L364-K465 HydrophobicContact CD2-CG 4.06Å; V369-K465 PolarHBondContact O-N 2.79Å; G370-K465 CarbonylContact C-O 3.51Å; G370-K465 VanDerWaalsContact CA-O 3.26Å; G370-K465 WeakPolarHBondContact CA-O 3.33Å; V371-K465 PolarHBondContact N-O 2.68Å; K465-L467 HydrophobicContact CG-CD2 4.21Å; K465-L467 PolarHBondContact O-N 3.09Å
466V96.7Very high95.1Very high16 Ų1634.4 Ų34.410%0.09717%0.172CC..EExtended strand (participates in β ladder)trans-78.1118.9-176.4-177.60000110.6V371 R373 A376 Y403 N442 V464V371-V466 CarbonylContact O-C 3.47Å; V371-V466 WeakPolarHBondContact O-CA 3.39Å; R373-V466 HydrophobicContact CB-CG1 4.35Å; R373-V466 HydrophobicContact CG-CG1 3.56Å; A376-V466 HydrophobicContact CB-CG1 3.91Å; A376-V466 HydrophobicContact CB-CG2 3.85Å; Y403-V466 HydrophobicContact CE1-CG1 4.21Å; Y403-V466 HydrophobicContact CE2-CG1 4.13Å; Y403-V466 HydrophobicContact CE2-CG2 4.24Å; Y403-V466 WeakPolarHBondContact OH-CB 3.31Å; Y403-V466 WeakPolarHBondContact OH-CG2 3.5Å; N442-V466 PolarHBondContact OD1-N 3.28Å; V464-V466 HydrophobicContact CG1-CG2 3.71Å
467L95.6Very high95.3Very high29 Ų2931.3 Ų31.315%0.15216%0.158CC..EExtended strand (participates in β ladder)trans-119.1155.1-175.2-64.5-178.9000111.5V371 R373 K465 W469 R473V371-L467 PolarHBondContact O-N 3.32Å; R373-L467 PolarHBondContact N-O 3.28Å; K465-L467 HydrophobicContact CG-CD2 4.21Å; K465-L467 PolarHBondContact O-N 3.09Å; L467-W469 HydrophobicContact CB-CE3 3.96Å; L467-W469 HydrophobicContact CB-CZ3 4.15Å; L467-W469 HydrophobicContact CD1-CE3 4.44Å; L467-W469 HydrophobicContact CD1-CZ3 4.23Å; L467-W469 HydrophobicContact CD2-CZ3 4.34Å; L467-W469 HydrophobicContact CG-CZ3 4.48Å; L467-W469 PolarHBondContact O-N 3.26Å; L467-R473 HydrophobicContact CD1-CB 4.37Å; L467-R473 HydrophobicContact CD1-CG 4.29Å
468P93.6Very high95.4Very high80 Ų8031.2 Ų31.252%0.51916%0.158SC..SBendtrans-76.7-18.9-171.629.4-36.1000115.5
469W94.3Very high95.5Very high133 Ų13331.5 Ų31.550%0.50416%0.159SC..SBendtrans-83.8179.3-177.6-50.3-82000113.2P372 L467 R473P372-W469 VanDerWaalsContact CA-O 3.24Å; P372-W469 WeakPolarHBondContact CA-O 3.44Å; P372-W469 WeakPolarHBondContact CB-O 3.49Å; P372-W469 WeakPolarHBondContact CG-O 3.25Å; L467-W469 HydrophobicContact CB-CE3 3.96Å; L467-W469 HydrophobicContact CB-CZ3 4.15Å; L467-W469 HydrophobicContact CD1-CE3 4.44Å; L467-W469 HydrophobicContact CD1-CZ3 4.23Å; L467-W469 HydrophobicContact CD2-CZ3 4.34Å; L467-W469 HydrophobicContact CG-CZ3 4.48Å; L467-W469 PolarHBondContact O-N 3.26Å; W469-R473 VanDerWaalsContact CE3-CZ 3.47Å; W469-R473 VanDerWaalsContact CE3-NH2 3.32Å
470S94Very high95.3Very high85 Ų8530.3 Ų30.359%0.59416%0.159SC*.SBendtrans-99.9-4.2-171.7-52.40000116.1T356 P372T356-S470 PolarHBondContact OG1-O 2.98Å; P372-S470 WeakPolarHBondContact CG-O 3.39Å
471T95.9Very high95.1Very high39 Ų3930.3 Ų30.324%0.23916%0.159CC..SBendtrans-99.7153.5178.857.70000112.1V357 T359 P372V357-T471 HydrophobicContact CB-CG2 4.32Å; V357-T471 WeakPolarHBondContact O-CA 3.46Å; V357-T471 VanDerWaalsContact O-CB 3.28Å; V357-T471 WeakPolarHBondContact O-CB 3.49Å; T359-T471 VanDerWaalsContact OG1-CB 3.28Å; T359-T471 WeakPolarHBondContact OG1-CB 3.42Å; T359-T471 PolarHBondContact OG1-OG1 3.26Å; P372-T471 WeakPolarHBondContact CD-O 3.36Å; P372-T471 WeakPolarHBondContact CG-O 3.2Å
472F97.3Very high95Very high0 Ų030.6 Ų30.60%016%0.159CC..EExtended strand (participates in β ladder)trans-73.5141.2165-73.1-42.7000109A354 T356 V357 I358 T359 G370 V371 I375 F448 M491 L493A354-F472 HydrophobicContact CB-CZ 4.19Å; T356-F472 HydrophobicContact CG2-CB 4.07Å; T356-F472 HydrophobicContact CG2-CD1 3.81Å; T356-F472 HydrophobicContact CG2-CD2 3.3Å; T356-F472 HydrophobicContact CG2-CE1 4.04Å; T356-F472 HydrophobicContact CG2-CE2 3.6Å; T356-F472 HydrophobicContact CG2-CG 3.42Å; T356-F472 VanDerWaalsContact CG2-CG 3.42Å; T356-F472 HydrophobicContact CG2-CZ 3.94Å; V357-F472 PolarHBondContact O-N 3.46Å; I358-F472 CarbonylContact C-O 3.58Å; I358-F472 VanDerWaalsContact CA-O 3.29Å; I358-F472 WeakPolarHBondContact CA-O 3.39Å; I358-F472 HydrophobicContact CG2-CB 4.07Å; T359-F472 PolarHBondContact N-O 2.85Å; G370-F472 CarbonylContact O-C 3.04Å; G370-F472 VanDerWaalsContact O-CA 3.28Å; G370-F472 WeakPolarHBondContact O-CA 3.5Å; V371-F472 HydrophobicContact CG1-CE1 4.28Å; V371-F472 HydrophobicContact CG2-CD1 4.4Å; V371-F472 HydrophobicContact CG2-CE1 4.27Å; I375-F472 HydrophobicContact CD1-CE1 3.82Å; I375-F472 HydrophobicContact CD1-CZ 3.87Å; F448-F472 HydrophobicContact CE2-CB 4.37Å; F448-F472 AromaticContact CE2-CD2 3.51Å; F448-F472 HydrophobicContact CE2-CD2 3.51Å; F448-F472 AromaticContact CE2-CE2 3.84Å; F448-F472 HydrophobicContact CE2-CE2 3.84Å; F448-F472 AromaticContact CE2-CG 3.94Å; F448-F472 HydrophobicContact CE2-CG 3.94Å; F448-F472 HydrophobicContact CZ-CB 3.95Å; F448-F472 AromaticContact CZ-CD2 3.82Å; F448-F472 HydrophobicContact CZ-CD2 3.82Å; F448-F472 HydrophobicContact CZ-CG 4.04Å; F472-M491 WeakPolarHBondContact CE2-O 3.4Å; F472-L493 HydrophobicContact CD1-CD1 4.47Å; F472-L493 HydrophobicContact CE1-CB 4.28Å; F472-L493 HydrophobicContact CE1-CD1 3.73Å; F472-L493 HydrophobicContact CE2-CB 4.08Å; F472-L493 HydrophobicContact CZ-CB 3.62Å; F472-L493 HydrophobicContact CZ-CD1 3.95Å; F472-L493 HydrophobicContact CZ-CG 4.42Å
473R96.1Very high94.6Very high48 Ų4835.6 Ų35.618%0.18119%0.186CC..EExtended strand (participates in β ladder)trans-119.7142177.4-61.2-163178.5-166.9-4.3112T359 D361 L364 V369 G370 L467 W469T359-R473 VanDerWaalsContact O-CA 3.3Å; T359-R473 WeakPolarHBondContact O-CA 3.49Å; D361-R473 HydrophobicContact CB-CB 3.99Å; D361-R473 WeakPolarHBondContact OD2-CD 3.43Å; D361-R473 IonicContact OD2-CZ 3.91Å; D361-R473 IonicContact OD2-NE 3.76Å; D361-R473 IonicContact OD2-NH1 2.64Å; D361-R473 PolarHBondContact OD2-NH1 3.09Å; L364-R473 HydrophobicContact CD1-CB 3.72Å; V369-R473 CarbonylContact C-O 3.58Å; V369-R473 WeakPolarHBondContact CA-O 3.42Å; V369-R473 WeakPolarHBondContact CG2-O 3.49Å; G370-R473 PolarHBondContact N-O 3.26Å; G370-R473 PolarHBondContact O-N 3Å; L467-R473 HydrophobicContact CD1-CB 4.37Å; L467-R473 HydrophobicContact CD1-CG 4.29Å; W469-R473 VanDerWaalsContact CE3-CZ 3.47Å; W469-R473 VanDerWaalsContact CE3-NH2 3.32Å
474L94.4Very high94.2Very high0 Ų033.7 Ų33.70%018%0.181CC..EExtended strand (participates in β ladder)trans-146.8152.7-17862.9100.4000112.6I358 T359 D361 F448 T479 F486 M491I358-L474 HydrophobicContact CB-CD2 3.9Å; I358-L474 HydrophobicContact CD1-CD2 4.06Å; I358-L474 HydrophobicContact CG2-CD2 3.74Å; T359-L474 PolarHBondContact O-N 3.45Å; T359-L474 VanDerWaalsContact O-N 3.15Å; D361-L474 PolarHBondContact N-O 2.92Å; F448-L474 HydrophobicContact CE1-CD2 3.89Å; L474-T479 HydrophobicContact CD1-CG2 4.01Å; L474-F486 HydrophobicContact CD1-CE1 3.91Å; L474-F486 HydrophobicContact CD1-CZ 3.71Å; L474-F486 HydrophobicContact CD2-CE1 4.15Å; L474-F486 HydrophobicContact CG-CE1 3.9Å; L474-F486 HydrophobicContact CG-CZ 4.14Å; L474-M491 HydrophobicContact CD2-SD 4.13Å
475N95.3Very high93.7Very high1 Ų137.8 Ų37.81%0.00520%0.203CC..  trans-66.8136.5177.6-177.4-65.8000111.5L364 S477 V478 Q663L364-N475 PolarHBondContact O-ND2 3.42Å; N475-S477 VanDerWaalsContact C-N 3.25Å; N475-S477 PolarHBondContact O-N 3.26Å; N475-S477 VanDerWaalsContact O-N 3.15Å; N475-S477 PolarHBondContact OD1-N 3.18Å; N475-V478 HydrophobicContact CB-CG2 4.12Å; N475-V478 PolarHBondContact O-N 3.13Å; N475-Q663 VanDerWaalsContact CG-OE1 3.31Å; N475-Q663 PolarHBondContact ND2-OE1 3.03Å; N475-Q663 PolarHBondContact OD1-NE2 3.04Å; N475-Q663 PolarHBondContact OD1-OE1 3.18Å
476L94.5Very high93.4Very high16 Ų1636.4 Ų36.48%0.08420%0.197CC..G310 helixtrans-59.6-30.2-173.1-71.879.8000113.6A360 P362 V478 T479 V528A360-L476 HydrophobicContact CB-CD1 4.06Å; A360-L476 HydrophobicContact CB-CG 4.16Å; P362-L476 HydrophobicContact CB-CD1 3.9Å; L476-V478 PolarHBondContact O-N 3.02Å; L476-T479 WeakPolarHBondContact O-CB 3.25Å; L476-T479 VanDerWaalsContact O-CG2 3.28Å; L476-T479 WeakPolarHBondContact O-CG2 3.5Å; L476-T479 PolarHBondContact O-N 2.95Å; L476-T479 PolarHBondContact O-OG1 3.22Å; L476-V528 HydrophobicContact CB-CG2 4.47Å
477S94.6Very high93Very high0 Ų040.5 Ų40.50%022%0.219CC..G310 helixtrans-69-17178.8-75.20000113.8N475 G526 F659 Q663N475-S477 VanDerWaalsContact C-N 3.25Å; N475-S477 PolarHBondContact O-N 3.26Å; N475-S477 VanDerWaalsContact O-N 3.15Å; N475-S477 PolarHBondContact OD1-N 3.18Å; S477-G526 WeakPolarHBondContact CB-O 3.16Å; S477-G526 PolarHBondContact OG-O 2.9Å; S477-F659 WeakPolarHBondContact OG-CD1 3.23Å; S477-Q663 PolarHBondContact OG-NE2 2.56Å
478V94.6Very high92.7Very high0 Ų041.2 Ų41.20%023%0.232CC..G310 helixtrans-88.6-7.3177.6-1550000112.3L366 M460 N475 L476 S480 P481 Y482 V511L366-V478 HydrophobicContact CD1-CG2 3.63Å; L366-V478 HydrophobicContact CG-CG2 4.15Å; L366-V478 WeakPolarHBondContact O-CG2 3.36Å; M460-V478 HydrophobicContact CE-CG1 3.38Å; N475-V478 HydrophobicContact CB-CG2 4.12Å; N475-V478 PolarHBondContact O-N 3.13Å; L476-V478 PolarHBondContact O-N 3.02Å; V478-S480 VanDerWaalsContact C-N 3.3Å; V478-S480 PolarHBondContact O-N 3.42Å; V478-P481 HydrophobicContact CG1-CG 4.11Å; V478-P481 VanDerWaalsContact O-CD 3.27Å; V478-P481 WeakPolarHBondContact O-CD 3.31Å; V478-P481 VanDerWaalsContact O-CG 3.3Å; V478-P481 WeakPolarHBondContact O-CG 3.38Å; V478-Y482 HydrophobicContact CB-CE2 4.5Å; V478-Y482 HydrophobicContact CG1-CD2 3.87Å; V478-Y482 HydrophobicContact CG1-CE2 3.51Å; V478-Y482 VanDerWaalsContact O-CD2 3.25Å; V478-Y482 WeakPolarHBondContact O-CD2 3.03Å; V478-V511 HydrophobicContact CG1-CG1 4.3Å; V478-V511 HydrophobicContact CG2-CG1 4.26Å
479T93.1Very high92.7Very high10 Ų1038.5 Ų38.56%0.06121%0.214CC..Hα-helixtrans-59.6-39.8175.156.50000112.8L474 L476 Y482 N483 A484 F486L474-T479 HydrophobicContact CD1-CG2 4.01Å; L476-T479 WeakPolarHBondContact O-CB 3.25Å; L476-T479 VanDerWaalsContact O-CG2 3.28Å; L476-T479 WeakPolarHBondContact O-CG2 3.5Å; L476-T479 PolarHBondContact O-N 2.95Å; L476-T479 PolarHBondContact O-OG1 3.22Å; T479-Y482 CarbonylContact O-C 3.31Å; T479-Y482 PolarHBondContact O-N 2.99Å; T479-N483 WeakPolarHBondContact O-CA 3.25Å; T479-N483 PolarHBondContact O-N 3.32Å; T479-A484 WeakPolarHBondContact CB-O 3.07Å; T479-A484 PolarHBondContact O-N 3.29Å; T479-F486 HydrophobicContact CG2-CD2 4.49Å; T479-F486 HydrophobicContact CG2-CE2 3.42Å; T479-F486 VanDerWaalsContact CG2-CE2 3.42Å; T479-F486 HydrophobicContact CG2-CZ 3.46Å; T479-F486 VanDerWaalsContact CG2-CZ 3.46Å
480S91.3Very high92.7Very high52 Ų5235.4 Ų35.436%0.36421%0.205SC..Hα-helixtrans-61.3-52.8-176.8-63.70000113.3V478 Y482 N483V478-S480 VanDerWaalsContact C-N 3.3Å; V478-S480 PolarHBondContact O-N 3.42Å; S480-Y482 VanDerWaalsContact C-N 3.26Å; S480-Y482 PolarHBondContact O-N 3.17Å; S480-N483 PolarHBondContact O-N 2.91Å; S480-N483 VanDerWaalsContact O-N 3.07Å
481P92.4Very high92.8Very high0 Ų031.4 Ų31.40%018%0.177CC..Hα-helixtrans-66.8-17.517524.4-34.6000115.1H455 M457 M460 V478 V524 M525H455-P481 PolarHBondContact CE1-O 2.92Å; H455-P481 PolarHBondContact NE2-O 3.01Å; H455-P481 VanDerWaalsContact NE2-O 3.13Å; M457-P481 HydrophobicContact CB-CB 3.82Å; M460-P481 HydrophobicContact CE-CB 3.99Å; M460-P481 HydrophobicContact CE-CG 3.73Å; V478-P481 HydrophobicContact CG1-CG 4.11Å; V478-P481 VanDerWaalsContact O-CD 3.27Å; V478-P481 WeakPolarHBondContact O-CD 3.31Å; V478-P481 VanDerWaalsContact O-CG 3.3Å; V478-P481 WeakPolarHBondContact O-CG 3.38Å; P481-V524 HydrophobicContact CB-CG1 3.81Å; P481-V524 HydrophobicContact CG-CG1 4.49Å; P481-M525 HydrophobicContact CG-CE 4.11Å; P481-M525 HydrophobicContact CG-CG 3.89Å
482Y93.6Very high92.8Very high6 Ų630.2 Ų30.22%0.02417%0.169CC..Hα-helixtrans-92.6-8.8170.7-67.8-55.4000113.3F448 R450 S458 M460 H462 V478 T479 S480 A484 M491F448-Y482 HydrophobicContact CD1-CE2 4.17Å; F448-Y482 WeakPolarHBondContact O-CE1 3.49Å; F448-Y482 PolarHBondContact O-OH 3Å; R450-Y482 HydrophobicContact CB-CD1 4.16Å; R450-Y482 HydrophobicContact CB-CG 4.48Å; R450-Y482 WeakPolarHBondContact CD-O 3.32Å; R450-Y482 PolarHBondContact NH1-O 3.25Å; S458-Y482 WeakPolarHBondContact O-CE1 3.24Å; M460-Y482 HydrophobicContact CE-CD2 4.31Å; M460-Y482 HydrophobicContact CE-CE1 4.03Å; M460-Y482 HydrophobicContact CE-CE2 3.69Å; H462-Y482 AromaticContact NE2-CE2 3.86Å; H462-Y482 AromaticContact NE2-CZ 3.85Å; H462-Y482 PolarHBondContact NE2-OH 3.4Å; V478-Y482 HydrophobicContact CB-CE2 4.5Å; V478-Y482 HydrophobicContact CG1-CD2 3.87Å; V478-Y482 HydrophobicContact CG1-CE2 3.51Å; V478-Y482 VanDerWaalsContact O-CD2 3.25Å; V478-Y482 WeakPolarHBondContact O-CD2 3.03Å; T479-Y482 CarbonylContact O-C 3.31Å; T479-Y482 PolarHBondContact O-N 2.99Å; S480-Y482 VanDerWaalsContact C-N 3.26Å; S480-Y482 PolarHBondContact O-N 3.17Å; Y482-A484 PolarHBondContact O-N 3.11Å; Y482-M491 HydrophobicContact CD1-CE 3.51Å; Y482-M491 HydrophobicContact CD2-CE 3.58Å; Y482-M491 HydrophobicContact CD2-SD 4.29Å; Y482-M491 HydrophobicContact CE1-CE 3.57Å; Y482-M491 HydrophobicContact CE2-CE 3.64Å; Y482-M491 HydrophobicContact CG-CE 3.52Å; Y482-M491 HydrophobicContact CG-SD 4.27Å
483N88.5Confident92.8Very high107 Ų10730.2 Ų30.257%0.57217%0.169SC*.THydrogen-bonded Turntrans50.940.1-169.4-16937.5000113.1R450 T479 S480R450-N483 VanDerWaalsContact NH1-C 3.27Å; R450-N483 PolarHBondContact NH1-O 2.86Å; R450-N483 PolarHBondContact NH2-O 2.83Å; T479-N483 WeakPolarHBondContact O-CA 3.25Å; T479-N483 PolarHBondContact O-N 3.32Å; S480-N483 PolarHBondContact O-N 2.91Å; S480-N483 VanDerWaalsContact O-N 3.07Å
484A89.6Confident92.8Very high9 Ų930.2 Ų30.27%0.07417%0.171CC..  trans-104.2146-171.400000112.5I358 T479 Y482 D489I358-A484 HydrophobicContact CD1-CB 3.79Å; T479-A484 WeakPolarHBondContact CB-O 3.07Å; T479-A484 PolarHBondContact O-N 3.29Å; Y482-A484 PolarHBondContact O-N 3.11Å; A484-D489 VanDerWaalsContact CA-OD2 3.23Å; A484-D489 WeakPolarHBondContact CA-OD2 3.46Å; A484-D489 WeakPolarHBondContact CB-OD2 3.45Å
485D84.8Confident92.9Very high86 Ų8630.6 Ų30.646%0.4617%0.173SC..  trans-134.34.2-17361.93.9000116D487 D489D485-D487 VanDerWaalsContact C-N 3.34Å; D485-D487 PolarHBondContact O-N 3.32Å; D485-D489 PolarHBondContact N-OD2 2.88Å
486F90.6Very high92.9Very high47 Ų4731.1 Ų31.121%0.20618%0.177CC..SBendtrans6621.1173.8-48.1-73.5000116.2I358 A360 L474 T479 G488I358-F486 HydrophobicContact CB-CD1 4.19Å; I358-F486 HydrophobicContact CB-CE1 4.31Å; I358-F486 HydrophobicContact CD1-CD1 3.64Å; I358-F486 HydrophobicContact CD1-CE1 3.83Å; I358-F486 HydrophobicContact CG1-CD1 3.81Å; I358-F486 HydrophobicContact CG1-CE1 4.26Å; A360-F486 HydrophobicContact CB-CD2 4.13Å; A360-F486 HydrophobicContact CB-CE1 4.25Å; A360-F486 HydrophobicContact CB-CE2 3.64Å; A360-F486 HydrophobicContact CB-CZ 3.7Å; A360-F486 VanDerWaalsContact N-CE1 3.31Å; L474-F486 HydrophobicContact CD1-CE1 3.91Å; L474-F486 HydrophobicContact CD1-CZ 3.71Å; L474-F486 HydrophobicContact CD2-CE1 4.15Å; L474-F486 HydrophobicContact CG-CE1 3.9Å; L474-F486 HydrophobicContact CG-CZ 4.14Å; T479-F486 HydrophobicContact CG2-CD2 4.49Å; T479-F486 HydrophobicContact CG2-CE2 3.42Å; T479-F486 VanDerWaalsContact CG2-CE2 3.42Å; T479-F486 HydrophobicContact CG2-CZ 3.46Å; T479-F486 VanDerWaalsContact CG2-CZ 3.46Å; F486-G488 PolarHBondContact O-N 2.83Å
487D89.9Confident92.9Very high103 Ų10332.8 Ų32.855%0.55118%0.184SC*.SBendtrans-76.2-6.2179.576.1-13.6000115.2D485 D489D485-D487 VanDerWaalsContact C-N 3.34Å; D485-D487 PolarHBondContact O-N 3.32Å; D487-D489 PolarHBondContact OD1-N 3.32Å
488G89.3Confident92.8Very high43 Ų4334.8 Ų34.844%0.44320%0.198SC..SBendtrans142.1-11.2-16400000112.8F486F486-G488 PolarHBondContact O-N 2.83Å
489D92Very high92.7Very high23 Ų2339 Ų3912%0.12322%0.224CC..  trans-33.6131.5169.8-105.6-21.5000115.3V357 I358 R450 A484 D485 D487V357-D489 WeakPolarHBondContact CA-O 3.22Å; I358-D489 HydrophobicContact CD1-CB 3.76Å; I358-D489 HydrophobicContact CG1-CB 3.73Å; I358-D489 WeakPolarHBondContact CG1-O 3.41Å; I358-D489 PolarHBondContact N-O 3.09Å; R450-D489 IonicContact CZ-OD1 3.57Å; R450-D489 IonicContact CZ-OD2 3.91Å; R450-D489 VanDerWaalsContact CZ-OD2 3.27Å; R450-D489 IonicContact NE-OD1 2.73Å; R450-D489 PolarHBondContact NE-OD1 3.2Å; R450-D489 IonicContact NE-OD2 3.5Å; R450-D489 PolarHBondContact NE-OD2 3.32Å; R450-D489 VanDerWaalsContact NH2-CG 3.29Å; R450-D489 IonicContact NH2-OD1 3.69Å; R450-D489 PolarHBondContact NH2-OD1 2.73Å; R450-D489 IonicContact NH2-OD2 3.52Å; R450-D489 PolarHBondContact NH2-OD2 3.19Å; A484-D489 VanDerWaalsContact CA-OD2 3.23Å; A484-D489 WeakPolarHBondContact CA-OD2 3.46Å; A484-D489 WeakPolarHBondContact CB-OD2 3.45Å; D485-D489 PolarHBondContact N-OD2 2.88Å; D487-D489 PolarHBondContact OD1-N 3.32Å
490E95.3Very high92.7Very high69 Ų6944.9 Ų44.932%0.32225%0.25SS..EExtended strand (participates in β ladder)trans-116.7136.9173.4-64.6-174.5126.900111R355 V357R355-E490 HydrophobicContact CG-CB 4.21Å; R355-E490 IonicContact CZ-OE2 2.65Å; R355-E490 IonicContact NE-OE2 3.23Å; R355-E490 PolarHBondContact NE-OE2 3.37Å; R355-E490 IonicContact NH2-OE2 3.29Å; R355-E490 PolarHBondContact NH2-OE2 3.12Å; V357-E490 HydrophobicContact CG2-CG 4.1Å
491M96.4Very high92.8Very high0 Ų044.8 Ų44.80%025%0.247CC..EExtended strand (participates in β ladder)trans-123.2153.7177.4-72.8-176.365.500111.2R355 T356 I358 F448 N449 R450 F472 L474 Y482R355-M491 WeakPolarHBondContact CA-O 3.34Å; T356-M491 PolarHBondContact O-N 2.92Å; I358-M491 HydrophobicContact CD1-SD 4.08Å; I358-M491 HydrophobicContact CG2-CB 3.82Å; I358-M491 HydrophobicContact CG2-CG 3.83Å; I358-M491 HydrophobicContact CG2-SD 3.82Å; F448-M491 HydrophobicContact CD1-CE 3.33Å; F448-M491 HydrophobicContact CD1-SD 4.27Å; F448-M491 HydrophobicContact CE1-CB 3.98Å; F448-M491 HydrophobicContact CE1-CE 3.25Å; F448-M491 HydrophobicContact CE1-CG 4.4Å; F448-M491 HydrophobicContact CE1-SD 3.57Å; F448-M491 VanDerWaalsContact CE1-SD 3.57Å; F448-M491 HydrophobicContact CE2-CB 3.7Å; F448-M491 HydrophobicContact CG-CE 4.06Å; F448-M491 HydrophobicContact CZ-CB 3.39Å; F448-M491 HydrophobicContact CZ-CE 3.93Å; F448-M491 HydrophobicContact CZ-CG 4.23Å; F448-M491 HydrophobicContact CZ-SD 3.96Å; N449-M491 VanDerWaalsContact C-CE 3.48Å; N449-M491 WeakPolarHBondContact O-CA 3.22Å; N449-M491 WeakPolarHBondContact O-CB 3.16Å; R450-M491 HydrophobicContact CB-CE 3.93Å; R450-M491 HydrophobicContact CB-CG 3.87Å; R450-M491 HydrophobicContact CB-SD 4.09Å; R450-M491 HydrophobicContact CG-CG 4.14Å; F472-M491 WeakPolarHBondContact CE2-O 3.4Å; L474-M491 HydrophobicContact CD2-SD 4.13Å; Y482-M491 HydrophobicContact CD1-CE 3.51Å; Y482-M491 HydrophobicContact CD2-CE 3.58Å; Y482-M491 HydrophobicContact CD2-SD 4.29Å; Y482-M491 HydrophobicContact CE1-CE 3.57Å; Y482-M491 HydrophobicContact CE2-CE 3.64Å; Y482-M491 HydrophobicContact CG-CE 3.52Å; Y482-M491 HydrophobicContact CG-SD 4.27Å
492N96.1Very high92.8Very high15 Ų1547 Ų478%0.0826%0.257CS..EExtended strand (participates in β ladder)trans-105.3143.9178.6-23.3-89.8000110.6A354 R355 F448 N449 Q451A354-N492 CarbonylContact O-C 3.54Å; A354-N492 VanDerWaalsContact O-CA 3.3Å; A354-N492 WeakPolarHBondContact O-CA 3.41Å; R355-N492 WeakPolarHBondContact CD-OD1 3.4Å; R355-N492 PolarHBondContact NH1-OD1 3.43Å; R355-N492 VanDerWaalsContact NH1-OD1 3.09Å; F448-N492 WeakPolarHBondContact CA-O 3.38Å; F448-N492 VanDerWaalsContact CD2-O 3.26Å; F448-N492 WeakPolarHBondContact CD2-O 3.47Å; N449-N492 PolarHBondContact N-O 2.97Å; N449-N492 PolarHBondContact O-N 2.93Å; N449-N492 VanDerWaalsContact OD1-CB 3.31Å; N449-N492 WeakPolarHBondContact OD1-CB 3.18Å; N449-N492 PolarHBondContact OD1-ND2 3.35Å; N449-N492 PolarHBondContact OD1-O 3.39Å; Q451-N492 PolarHBondContact NE2-ND2 3.29Å
493L96.1Very high92.8Very high0 Ų049 Ų490%028%0.275CS..EExtended strand (participates in β ladder)trans-117135.4177.7-177.4156.8000108.3S353 A354 V369 V371 L379 M440 V446 I447 F448 F472S353-L493 CarbonylContact C-O 3.5Å; S353-L493 WeakPolarHBondContact CA-O 3.24Å; S353-L493 VanDerWaalsContact CB-O 3.29Å; S353-L493 WeakPolarHBondContact CB-O 3.23Å; A354-L493 PolarHBondContact N-O 2.96Å; A354-L493 PolarHBondContact O-N 2.95Å; V369-L493 HydrophobicContact CG1-CD1 4.48Å; V371-L493 HydrophobicContact CG2-CD1 3.62Å; L379-L493 HydrophobicContact CD1-CD2 3.91Å; M440-L493 HydrophobicContact CE-CD2 3.7Å; V446-L493 HydrophobicContact CB-CD1 4.38Å; V446-L493 HydrophobicContact CB-CD2 4.05Å; V446-L493 HydrophobicContact CB-CG 4.01Å; V446-L493 HydrophobicContact CG1-CD2 3.9Å; V446-L493 HydrophobicContact CG1-CG 4.34Å; V446-L493 HydrophobicContact CG2-CD1 3.98Å; V446-L493 HydrophobicContact CG2-CG 4.06Å; I447-L493 CarbonylContact O-C 3.51Å; I447-L493 WeakPolarHBondContact O-CA 3.49Å; F448-L493 HydrophobicContact CD2-CB 3.96Å; F448-L493 HydrophobicContact CD2-CG 4.5Å; F448-L493 HydrophobicContact CE2-CB 4.3Å; F472-L493 HydrophobicContact CD1-CD1 4.47Å; F472-L493 HydrophobicContact CE1-CB 4.28Å; F472-L493 HydrophobicContact CE1-CD1 3.73Å; F472-L493 HydrophobicContact CE2-CB 4.08Å; F472-L493 HydrophobicContact CZ-CB 3.62Å; F472-L493 HydrophobicContact CZ-CD1 3.95Å; F472-L493 HydrophobicContact CZ-CG 4.42Å
494H96.3Very high93.1Very high48 Ų4847.3 Ų47.322%0.22226%0.264CS..EExtended strand (participates in β ladder)trans-123.5125.2175.5-56.3-87.4000110.2S353 I447 P496S353-H494 WeakPolarHBondContact CB-ND1 3.47Å; I447-H494 HydrophobicContact CB-CB 4.34Å; I447-H494 PolarHBondContact N-O 3.24Å; I447-H494 PolarHBondContact O-N 3.48Å; H494-P496 WeakPolarHBondContact O-CD 3.34Å
495L96.2Very high93.3Very high8 Ų847.5 Ų47.54%0.04226%0.263CS..  trans-94.2111.3179.2176.360.7000110.4F352 L379 T380 M440 V446 Q497F352-L495 PolarHBondContact O-N 3Å; L379-L495 HydrophobicContact CB-CD2 4.03Å; T380-L495 WeakPolarHBondContact O-CD2 3.4Å; M440-L495 HydrophobicContact CB-CD2 4.45Å; M440-L495 HydrophobicContact CE-CB 4.1Å; M440-L495 HydrophobicContact CE-CD1 4.16Å; M440-L495 HydrophobicContact CE-CD2 3.93Å; M440-L495 HydrophobicContact CE-CG 4.29Å; V446-L495 HydrophobicContact CG1-CD1 3.98Å; L495-Q497 PolarHBondContact O-NE2 2.85Å; L495-Q497 VanDerWaalsContact O-NE2 3.1Å
496P95.1Very high93.6Very high12 Ų1244.1 Ų44.18%0.07825%0.246CC..  trans-58139.3175.324.5-35.2000111.6Y381 F445 H494 T501 K502 I505Y381-P496 VanDerWaalsContact CD2-O 3.29Å; Y381-P496 WeakPolarHBondContact CD2-O 3.47Å; Y381-P496 WeakPolarHBondContact CE2-O 3.31Å; F445-P496 WeakPolarHBondContact O-CD 3.35Å; F445-P496 VanDerWaalsContact O-CG 3.27Å; F445-P496 WeakPolarHBondContact O-CG 3.46Å; H494-P496 WeakPolarHBondContact O-CD 3.34Å; P496-T501 HydrophobicContact CB-CG2 4.09Å; P496-K502 HydrophobicContact CG-CB 4.37Å; P496-I505 HydrophobicContact CB-CD1 3.91Å; P496-I505 HydrophobicContact CG-CD1 4.24Å
497Q94.6Very high93.8Very high50 Ų5046.3 Ų46.323%0.23426%0.257CS..  trans-102.6-20.1-173.1-64.2-63.8-66.500113.7F352 T380 P382 L495F352-Q497 HydrophobicContact CB-CG 4.32Å; F352-Q497 VanDerWaalsContact CD1-CD 3.5Å; F352-Q497 HydrophobicContact CD1-CG 4.48Å; F352-Q497 HydrophobicContact CD2-CG 3.77Å; F352-Q497 VanDerWaalsContact CE1-OE1 3.31Å; F352-Q497 HydrophobicContact CE2-CG 4.19Å; F352-Q497 VanDerWaalsContact CG-CD 3.41Å; F352-Q497 HydrophobicContact CG-CG 3.93Å; T380-Q497 PolarHBondContact O-NE2 3.3Å; P382-Q497 VanDerWaalsContact CD-OE1 3.28Å; P382-Q497 HydrophobicContact CG-CB 4.48Å; P382-Q497 VanDerWaalsContact CG-O 3.26Å; P382-Q497 WeakPolarHBondContact CG-O 3.46Å; L495-Q497 PolarHBondContact O-NE2 2.85Å; L495-Q497 VanDerWaalsContact O-NE2 3.1Å
498S92.8Very high93.9Very high43 Ų4346.4 Ų46.430%0.30126%0.257SS..SBendtrans-107.2156.4175.966.40000111.3E500 T501 K502S498-E500 VanDerWaalsContact C-N 3.33Å; S498-T501 WeakPolarHBondContact OG-CB 3.36Å; S498-T501 PolarHBondContact OG-N 3.11Å; S498-T501 PolarHBondContact OG-OG1 2.89Å; S498-K502 WeakPolarHBondContact O-CB 3.49Å; S498-K502 PolarHBondContact O-N 3.02Å
499V92.8Very high94.1Very high89 Ų8945.6 Ų45.654%0.53925%0.246SC..Hα-helixtrans-65.7-38.8172.6-178.40000110.8K502 A503V499-K502 WeakPolarHBondContact O-CB 3.43Å; V499-K502 PolarHBondContact O-N 2.92Å; V499-A503 PolarHBondContact O-N 3.31Å
500E92Very high94.2Very high132 Ų13246 Ų4662%0.61725%0.246SC*.Hα-helixtrans-56.9-54.4175.8-179.9-179.2-159.600112S498 K502 A503 E504S498-E500 VanDerWaalsContact C-N 3.33Å; E500-K502 VanDerWaalsContact C-N 3.32Å; E500-K502 PolarHBondContact O-N 3.35Å; E500-A503 WeakPolarHBondContact O-CB 3.46Å; E500-A503 PolarHBondContact O-N 3.26Å; E500-A503 VanDerWaalsContact O-N 3.11Å; E500-E504 PolarHBondContact O-N 3Å
501T93.3Very high94.2Very high50 Ų5042.7 Ų42.731%0.30723%0.231SC..Hα-helixtrans-67.7-32.8178.5-56.90000111.3P496 S498 A503 I505P496-T501 HydrophobicContact CB-CG2 4.09Å; S498-T501 WeakPolarHBondContact OG-CB 3.36Å; S498-T501 PolarHBondContact OG-N 3.11Å; S498-T501 PolarHBondContact OG-OG1 2.89Å; T501-A503 VanDerWaalsContact C-N 3.32Å; T501-A503 PolarHBondContact O-N 3.48Å; T501-I505 HydrophobicContact CG2-CD1 3.47Å; T501-I505 VanDerWaalsContact CG2-CD1 3.47Å; T501-I505 HydrophobicContact CG2-CG1 4.2Å; T501-I505 VanDerWaalsContact O-CB 3.28Å; T501-I505 WeakPolarHBondContact O-CB 3.49Å; T501-I505 VanDerWaalsContact O-CD1 3.23Å; T501-I505 WeakPolarHBondContact O-CD1 3.46Å; T501-I505 WeakPolarHBondContact O-CG1 3.45Å; T501-I505 PolarHBondContact O-N 3.41Å
502K93.6Very high94Very high46 Ų4642.9 Ų42.920%0.223%0.232CC..Hα-helixtrans-60.4-40170.9-177.9172.7177.8168.80111.7Y381 D444 F445 P496 S498 V499 E500 S506Y381-K502 HydrophobicContact CE2-CD 4.37Å; D444-K502 IonicContact OD1-NZ 2.99Å; D444-K502 PolarHBondContact OD1-NZ 3.12Å; D444-K502 VanDerWaalsContact OD1-NZ 3.1Å; F445-K502 HydrophobicContact CB-CG 4.4Å; F445-K502 HydrophobicContact CD2-CG 4.06Å; P496-K502 HydrophobicContact CG-CB 4.37Å; S498-K502 WeakPolarHBondContact O-CB 3.49Å; S498-K502 PolarHBondContact O-N 3.02Å; V499-K502 WeakPolarHBondContact O-CB 3.43Å; V499-K502 PolarHBondContact O-N 2.92Å; E500-K502 VanDerWaalsContact C-N 3.32Å; E500-K502 PolarHBondContact O-N 3.35Å; K502-S506 WeakPolarHBondContact O-CB 3.24Å; K502-S506 PolarHBondContact O-N 2.86Å; K502-S506 PolarHBondContact O-OG 3Å
503A94.4Very high93.9Very high49 Ų4947.3 Ų47.341%0.40525%0.248SC..Hα-helixtrans-72.4-45.9177.100000112.8V499 E500 T501 I505 S506 Q507V499-A503 PolarHBondContact O-N 3.31Å; E500-A503 WeakPolarHBondContact O-CB 3.46Å; E500-A503 PolarHBondContact O-N 3.26Å; E500-A503 VanDerWaalsContact O-N 3.11Å; T501-A503 VanDerWaalsContact C-N 3.32Å; T501-A503 PolarHBondContact O-N 3.48Å; A503-I505 VanDerWaalsContact C-N 3.33Å; A503-I505 PolarHBondContact O-N 2.91Å; A503-S506 PolarHBondContact O-N 2.77Å; A503-S506 PolarHBondContact O-OG 3.44Å; A503-Q507 WeakPolarHBondContact O-CG 3.41Å; A503-Q507 PolarHBondContact O-N 3.15Å
504E93.4Very high93.8Very high72 Ų7248 Ų4834%0.33625%0.251SS..Hα-helixtrans-53.8-50.3175.7176.5177.7-130.300111.4E500 S506 Q507 L508 T1458E500-E504 PolarHBondContact O-N 3Å; E504-S506 PolarHBondContact O-N 3.22Å; E504-Q507 PolarHBondContact O-N 3.44Å; E504-L508 HydrophobicContact CG-CD1 4Å; E504-L508 WeakPolarHBondContact O-CB 3.4Å; E504-L508 WeakPolarHBondContact O-CG 3.39Å; E504-L508 PolarHBondContact O-N 3.32Å; E504-T1458 HydrophobicContact CG-CG2 4.2Å; E504-T1458 WeakPolarHBondContact OE1-CG2 3.46Å; E504-T1458 PolarHBondContact OE1-OG1 3.11Å
505I93.3Very high93.7Very high12 Ų1245.9 Ų45.96%0.06224%0.241CC..Hα-helixtrans-66-39.2-178.4-68.6166.2000111.4I447 C461 P496 T501 A503 A509 R510I447-I505 HydrophobicContact CD1-CD1 3.47Å; I447-I505 VanDerWaalsContact CD1-CD1 3.47Å; I447-I505 HydrophobicContact CD1-CG1 3.94Å; I447-I505 HydrophobicContact CD1-CG2 4.48Å; I447-I505 HydrophobicContact CG1-CD1 3.79Å; I447-I505 HydrophobicContact CG1-CG1 4.16Å; I447-I505 HydrophobicContact CG1-CG2 3.79Å; C461-I505 HydrophobicContact CB-CG2 3.4Å; C461-I505 VanDerWaalsContact SG-CG2 3.55Å; P496-I505 HydrophobicContact CB-CD1 3.91Å; P496-I505 HydrophobicContact CG-CD1 4.24Å; T501-I505 HydrophobicContact CG2-CD1 3.47Å; T501-I505 VanDerWaalsContact CG2-CD1 3.47Å; T501-I505 HydrophobicContact CG2-CG1 4.2Å; T501-I505 VanDerWaalsContact O-CB 3.28Å; T501-I505 WeakPolarHBondContact O-CB 3.49Å; T501-I505 VanDerWaalsContact O-CD1 3.23Å; T501-I505 WeakPolarHBondContact O-CD1 3.46Å; T501-I505 WeakPolarHBondContact O-CG1 3.45Å; T501-I505 PolarHBondContact O-N 3.41Å; A503-I505 VanDerWaalsContact C-N 3.33Å; A503-I505 PolarHBondContact O-N 2.91Å; I505-A509 HydrophobicContact CG2-CB 4.49Å; I505-A509 WeakPolarHBondContact O-CA 3.49Å; I505-A509 WeakPolarHBondContact O-CB 3.3Å; I505-A509 PolarHBondContact O-N 3.46Å; I505-R510 PolarHBondContact O-N 3.17Å
506S93Very high93.6Very high15 Ų1546.3 Ų46.311%0.10524%0.243CC..Hα-helixtrans-73.4-28.1-179.371.80000113.6K502 A503 E504 R510K502-S506 WeakPolarHBondContact O-CB 3.24Å; K502-S506 PolarHBondContact O-N 2.86Å; K502-S506 PolarHBondContact O-OG 3Å; A503-S506 PolarHBondContact O-N 2.77Å; A503-S506 PolarHBondContact O-OG 3.44Å; E504-S506 PolarHBondContact O-N 3.22Å; S506-R510 WeakPolarHBondContact O-CB 3.45Å
507Q93.7Very high93.5Very high93 Ų9346.1 Ų46.144%0.43524%0.242SC..Hα-helixtrans-93.4-29.2-179.9-63.1-60.8-13.700113.9A503 E504 R513A503-Q507 WeakPolarHBondContact O-CG 3.41Å; A503-Q507 PolarHBondContact O-N 3.15Å; E504-Q507 PolarHBondContact O-N 3.44Å; Q507-R513 WeakPolarHBondContact O-CD 3.38Å; Q507-R513 PolarHBondContact O-NE 3.28Å
508L92.7Very high93.5Very high106 Ų10643.7 Ų43.756%0.55523%0.231SC*.Hα-helixtrans-101.8-42.4-178.9-58.6-179.5000113.6E504 T1458E504-L508 HydrophobicContact CG-CD1 4Å; E504-L508 WeakPolarHBondContact O-CB 3.4Å; E504-L508 WeakPolarHBondContact O-CG 3.39Å; E504-L508 PolarHBondContact O-N 3.32Å; L508-T1458 HydrophobicContact CD1-CG2 3.91Å
509A93.7Very high93.4Very high25 Ų2542.7 Ų42.721%0.20722%0.222CC..SBendtrans-104.82.5-166.100000114.7C461 I505 V511 L514C461-A509 HydrophobicContact CB-CB 4.27Å; C461-A509 PolarHBondContact N-O 3.45Å; I505-A509 HydrophobicContact CG2-CB 4.49Å; I505-A509 WeakPolarHBondContact O-CA 3.49Å; I505-A509 WeakPolarHBondContact O-CB 3.3Å; I505-A509 PolarHBondContact O-N 3.46Å; A509-V511 PolarHBondContact O-N 2.89Å; A509-L514 WeakPolarHBondContact O-CD1 3.39Å
510R94Very high93.3Very high32 Ų3238.6 Ų38.612%0.12120%0.197CC..BIsolated β-bridgetrans-61.1133.7-178.7-164.8172.1-179.6-152.6-12.6111.9D367 I505 S506 S512 R513 L514 H652 D653D367-R510 IonicContact OD2-CZ 2.75Å; D367-R510 IonicContact OD2-NE 3.39Å; D367-R510 PolarHBondContact OD2-NE 2.58Å; D367-R510 IonicContact OD2-NH2 2.77Å; D367-R510 PolarHBondContact OD2-NH2 2.98Å; I505-R510 PolarHBondContact O-N 3.17Å; S506-R510 WeakPolarHBondContact O-CB 3.45Å; R510-S512 PolarHBondContact O-N 2.92Å; R510-S512 VanDerWaalsContact O-N 3.13Å; R510-R513 PolarHBondContact O-N 2.68Å; R510-L514 PolarHBondContact O-N 3.1Å; R510-H652 PolarHBondContact NH1-CE1 2.74Å; R510-D653 IonicContact CZ-OD1 3.72Å; R510-D653 VanDerWaalsContact CZ-OD1 3.23Å; R510-D653 IonicContact NH1-OD1 2.7Å; R510-D653 PolarHBondContact NH1-OD1 3.17Å; R510-D653 IonicContact NH1-OD2 2.89Å; R510-D653 IonicContact NH2-OD1 2.81Å; R510-D653 PolarHBondContact NH2-OD1 3.31Å
511V95.1Very high93.4Very high0 Ų032.3 Ų32.30%017%0.168CC..G310 helixtrans-50.9-41.2-176.3175.20000112.1L366 D367 M460 C461 H462 V478 A509 R513 L514 V515 M525L366-V511 HydrophobicContact CD2-CG1 4.18Å; L366-V511 HydrophobicContact CG-CG1 3.9Å; D367-V511 HydrophobicContact CB-CB 4.4Å; M460-V511 HydrophobicContact CB-CG2 3.72Å; M460-V511 HydrophobicContact CE-CG2 4.34Å; M460-V511 HydrophobicContact SD-CG2 4.26Å; C461-V511 VanDerWaalsContact O-CG2 3.31Å; C461-V511 WeakPolarHBondContact O-CG2 3.19Å; C461-V511 PolarHBondContact O-N 2.84Å; H462-V511 WeakPolarHBondContact NE2-CG2 3.24Å; V478-V511 HydrophobicContact CG1-CG1 4.3Å; V478-V511 HydrophobicContact CG2-CG1 4.26Å; A509-V511 PolarHBondContact O-N 2.89Å; V511-R513 VanDerWaalsContact C-N 3.3Å; V511-R513 PolarHBondContact O-N 3.29Å; V511-L514 PolarHBondContact O-N 3.36Å; V511-L514 VanDerWaalsContact O-N 3.09Å; V511-V515 PolarHBondContact O-N 2.73Å; V511-M525 HydrophobicContact CG1-CE 3.7Å; V511-M525 HydrophobicContact CG1-SD 3.78Å
512S92.7Very high93.4Very high4 Ų433.3 Ų33.33%0.02817%0.168CC..G310 helixtrans-60.4-33.317857.30000114.1R510 V515 H652R510-S512 PolarHBondContact O-N 2.92Å; R510-S512 VanDerWaalsContact O-N 3.13Å; S512-V515 WeakPolarHBondContact O-CG2 3.28Å; S512-H652 WeakPolarHBondContact CB-O 3.05Å; S512-H652 PolarHBondContact OG-ND1 3.01Å; S512-H652 VanDerWaalsContact OG-ND1 3.09Å
513R92.8Very high93.4Very high108 Ų10831.1 Ų31.141%0.40816%0.158SC..G310 helixtrans-81.7-21176-68.4178.4175.7-109.27.7112.9Q507 R510 V511 H652Q507-R513 WeakPolarHBondContact O-CD 3.38Å; Q507-R513 PolarHBondContact O-NE 3.28Å; R510-R513 PolarHBondContact O-N 2.68Å; V511-R513 VanDerWaalsContact C-N 3.3Å; V511-R513 PolarHBondContact O-N 3.29Å; R513-H652 HydrophobicContact CG-CB 4.13Å; R513-H652 PolarHBondContact NH2-NE2 3.43Å
514L94Very high93.3Very high15 Ų1530.1 Ų30.18%0.07915%0.147CC..G310 helixtrans-96.214.4-176.9-65.2-179.1000114.1M457 M460 A509 R510 V511 I516M457-L514 HydrophobicContact CG-CB 4.16Å; M460-L514 HydrophobicContact CB-CD1 4.24Å; M460-L514 HydrophobicContact CG-CD1 3.68Å; M460-L514 HydrophobicContact SD-CB 4.15Å; M460-L514 HydrophobicContact SD-CD1 4.11Å; A509-L514 WeakPolarHBondContact O-CD1 3.39Å; R510-L514 PolarHBondContact O-N 3.1Å; V511-L514 PolarHBondContact O-N 3.36Å; V511-L514 VanDerWaalsContact O-N 3.09Å; L514-I516 VanDerWaalsContact C-N 3.34Å; L514-I516 PolarHBondContact O-N 2.84Å
515V94.1Very high93.4Very high2 Ų226.7 Ų26.71%0.01213%0.131CC..SBendtrans-60.1-42177.31730000111.6L366 V511 S512 P523 V524 M525 I643 A647 V655 F659L366-V515 HydrophobicContact CD2-CG2 4.35Å; V511-V515 PolarHBondContact O-N 2.73Å; S512-V515 WeakPolarHBondContact O-CG2 3.28Å; V515-P523 HydrophobicContact CG1-CB 4.15Å; V515-P523 CarbonylContact O-C 3.2Å; V515-P523 VanDerWaalsContact O-CA 3.23Å; V515-P523 WeakPolarHBondContact O-CA 3.47Å; V515-V524 PolarHBondContact O-N 2.83Å; V515-M525 HydrophobicContact CG2-SD 4.02Å; V515-I643 HydrophobicContact CG1-CG2 4.1Å; V515-A647 HydrophobicContact CG1-CB 4.47Å; V515-V655 HydrophobicContact CG1-CG1 4.45Å; V515-V655 HydrophobicContact CG2-CG1 4.13Å; V515-F659 HydrophobicContact CG1-CE2 4.26Å; V515-F659 HydrophobicContact CG2-CE2 4.36Å
516I94.1Very high93.4Very high17 Ų1726.2 Ų26.29%0.08713%0.129CC..EExtended strand (participates in β ladder)trans-94.1134.3178.8-52.8178.3000110.3L514 A647 L648L514-I516 VanDerWaalsContact C-N 3.34Å; L514-I516 PolarHBondContact O-N 2.84Å; I516-A647 HydrophobicContact CD1-CB 3.89Å; I516-A647 HydrophobicContact CG1-CB 4.14Å; I516-L648 HydrophobicContact CD1-CD1 4.33Å; I516-L648 HydrophobicContact CD1-CD2 3.67Å; I516-L648 HydrophobicContact CD1-CG 3.7Å
517T93.8Very high93.6Very high8 Ų825.6 Ų25.65%0.04913%0.125CC..EExtended strand (participates in β ladder)trans-99.5132.9173.4-175.20000113.4Q519 A520 N521 K522 V524T517-Q519 HydrophobicContact CG2-CB 4.05Å; T517-Q519 PolarHBondContact O-N 3.44Å; T517-Q519 VanDerWaalsContact OG1-CB 3.22Å; T517-Q519 WeakPolarHBondContact OG1-CB 3.38Å; T517-Q519 PolarHBondContact OG1-N 3.48Å; T517-Q519 VanDerWaalsContact OG1-N 3.12Å; T517-A520 HydrophobicContact CG2-CB 4.43Å; T517-N521 WeakPolarHBondContact O-CA 3.4Å; T517-N521 PolarHBondContact O-N 3.23Å; T517-K522 PolarHBondContact N-O 3.28Å; T517-V524 HydrophobicContact CG2-CG2 3.42Å; T517-V524 VanDerWaalsContact CG2-CG2 3.42Å
518P93.2Very high93.5Very high0 Ų022.7 Ų22.70%011%0.113CC..THydrogen-bonded Turntrans-70-14.2169.931.6-36000112.5A520 A888 T889 L1080 H1387P518-A520 VanDerWaalsContact C-N 3.26Å; P518-A520 PolarHBondContact O-N 2.87Å; P518-A888 HydrophobicContact CB-CB 3.71Å; P518-A888 WeakPolarHBondContact O-CB 3.44Å; P518-T889 HydrophobicContact CB-CG2 3.93Å; P518-T889 HydrophobicContact CG-CG2 4.25Å; P518-L1080 HydrophobicContact CB-CD2 4.1Å; P518-L1080 HydrophobicContact CG-CD1 3.82Å; P518-L1080 HydrophobicContact CG-CD2 3.72Å; P518-L1080 HydrophobicContact CG-CG 4.16Å; P518-H1387 PolarHBondContact O-NE2 3Å
519Q92.4Very high93.5Very high22 Ų2221.3 Ų21.310%0.10310%0.104CC..THydrogen-bonded Turntrans-56.4-41.9175.8173.5-176.82.700111.9T517 E1087 P1088 V1383 N1384T517-Q519 HydrophobicContact CG2-CB 4.05Å; T517-Q519 PolarHBondContact O-N 3.44Å; T517-Q519 VanDerWaalsContact OG1-CB 3.22Å; T517-Q519 WeakPolarHBondContact OG1-CB 3.38Å; T517-Q519 PolarHBondContact OG1-N 3.48Å; T517-Q519 VanDerWaalsContact OG1-N 3.12Å; Q519-E1087 PolarHBondContact NE2-OE2 3.48Å; Q519-P1088 VanDerWaalsContact NE2-CG 3.27Å; Q519-V1383 WeakPolarHBondContact O-CA 3.48Å; Q519-N1384 PolarHBondContact O-N 2.89Å
520A90.5Very high93.5Very high3 Ų324.7 Ų24.73%0.02512%0.118CC..THydrogen-bonded Turntrans-148.624.8-166.300000112.6T517 P518 K522 Y1382T517-A520 HydrophobicContact CG2-CB 4.43Å; P518-A520 VanDerWaalsContact C-N 3.26Å; P518-A520 PolarHBondContact O-N 2.87Å; A520-K522 HydrophobicContact CB-CD 4.15Å; A520-K522 HydrophobicContact CB-CG 4.26Å; A520-K522 WeakPolarHBondContact O-CB 3.49Å; A520-K522 VanDerWaalsContact O-CG 3.26Å; A520-K522 WeakPolarHBondContact O-CG 3.44Å; A520-K522 PolarHBondContact O-N 2.9Å; A520-Y1382 HydrophobicContact CB-CD1 4.06Å; A520-Y1382 WeakPolarHBondContact CB-O 3.19Å
521N93Very high93.5Very high0 Ų023.3 Ų23.30%011%0.113CC..THydrogen-bonded Turntrans38.146.3173.26216.2000115.6T517 H644 A888 V891 F893 V968 Y1382 N1384T517-N521 WeakPolarHBondContact O-CA 3.4Å; T517-N521 PolarHBondContact O-N 3.23Å; N521-H644 PolarHBondContact O-CE1 3.14Å; N521-H644 PolarHBondContact O-NE2 3.47Å; N521-A888 VanDerWaalsContact CB-O 3.29Å; N521-A888 WeakPolarHBondContact CB-O 3.3Å; N521-V891 HydrophobicContact CB-CG2 3.74Å; N521-V891 WeakPolarHBondContact CB-O 3.49Å; N521-F893 VanDerWaalsContact OD1-CE2 3.28Å; N521-F893 WeakPolarHBondContact OD1-CE2 2.89Å; N521-V968 WeakPolarHBondContact ND2-CG1 3.48Å; N521-Y1382 WeakPolarHBondContact OD1-CE1 3.41Å; N521-N1384 PolarHBondContact ND2-ND2 3.46Å
522K93.1Very high93.6Very high71 Ų7123.4 Ų23.431%0.30911%0.114SC..EExtended strand (participates in β ladder)trans-151.9162.5-174.476.1-171.4-175.8-178.40110.2T517 A520 A639T517-K522 PolarHBondContact N-O 3.28Å; A520-K522 HydrophobicContact CB-CD 4.15Å; A520-K522 HydrophobicContact CB-CG 4.26Å; A520-K522 WeakPolarHBondContact O-CB 3.49Å; A520-K522 VanDerWaalsContact O-CG 3.26Å; A520-K522 WeakPolarHBondContact O-CG 3.44Å; A520-K522 PolarHBondContact O-N 2.9Å; K522-A639 HydrophobicContact CB-CB 4.16Å
523P94.6Very high93.7Very high0 Ų023.4 Ų23.40%011%0.114CC..EExtended strand (participates in β ladder)trans-70.1137175.826.8-27.7000111.1V515 S637 I643 H644V515-P523 HydrophobicContact CG1-CB 4.15Å; V515-P523 CarbonylContact O-C 3.2Å; V515-P523 VanDerWaalsContact O-CA 3.23Å; V515-P523 WeakPolarHBondContact O-CA 3.47Å; P523-S637 VanDerWaalsContact O-CA 3.26Å; P523-S637 WeakPolarHBondContact O-CA 3.49Å; P523-S637 WeakPolarHBondContact O-CB 3.46Å; P523-I643 HydrophobicContact CB-CG2 4.21Å; P523-H644 HydrophobicContact CG-CB 4.04Å
524V92.9Very high93.8Very high28 Ų2818.3 Ų18.317%0.179%0.094CC..SBendtrans-85-39.6172.4-175.50000110.3P481 V515 T517P481-V524 HydrophobicContact CB-CG1 3.81Å; P481-V524 HydrophobicContact CG-CG1 4.49Å; V515-V524 PolarHBondContact O-N 2.83Å; T517-V524 HydrophobicContact CG2-CG2 3.42Å; T517-V524 VanDerWaalsContact CG2-CG2 3.42Å
525M94.6Very high93.9Very high0 Ų017.6 Ų17.60%09%0.091CC..  trans-84.2144.5177.3-59.5171.7-149.400109.8L366 M460 P481 V511 V515 F659L366-M525 HydrophobicContact CD1-SD 4.31Å; L366-M525 HydrophobicContact CD2-SD 4.14Å; L366-M525 HydrophobicContact CG-SD 4.46Å; M460-M525 HydrophobicContact CE-CE 4.09Å; M460-M525 HydrophobicContact SD-CE 3.62Å; P481-M525 HydrophobicContact CG-CE 4.11Å; P481-M525 HydrophobicContact CG-CG 3.89Å; V511-M525 HydrophobicContact CG1-CE 3.7Å; V511-M525 HydrophobicContact CG1-SD 3.78Å; V515-M525 HydrophobicContact CG2-SD 4.02Å; M525-F659 HydrophobicContact CB-CE1 4.34Å; M525-F659 HydrophobicContact CB-CZ 3.86Å
526G93.9Very high93.9Very high2 Ų217.7 Ų17.72%0.0219%0.091CC..  trans-158.7175.1176.900000110.9S477S477-G526 WeakPolarHBondContact CB-O 3.16Å; S477-G526 PolarHBondContact OG-O 2.9Å
527I95.9Very high93.9Very high2 Ų218 Ų181%0.019%0.092CC..  trans-75.8128.6170.9-54.4-58.9000107.9T531 L532 L635 I643 F659 I662I527-T531 HydrophobicContact CG2-CG2 3.6Å; I527-L532 HydrophobicContact CG2-CB 4.09Å; I527-L532 HydrophobicContact CG2-CD1 4.48Å; I527-L635 HydrophobicContact CB-CB 4.21Å; I527-L635 HydrophobicContact CG1-CB 4.18Å; I527-L635 PolarHBondContact N-O 2.99Å; I527-I643 HydrophobicContact CG1-CD1 4.26Å; I527-F659 HydrophobicContact CD1-CD1 3.85Å; I527-F659 HydrophobicContact CD1-CE1 4.23Å; I527-I662 HydrophobicContact CD1-CB 4.07Å; I527-I662 HydrophobicContact CD1-CD1 3.96Å; I527-I662 HydrophobicContact CD1-CG2 3.75Å; I527-I662 HydrophobicContact CG1-CD1 4.05Å; I527-I662 HydrophobicContact CG1-CG2 4.04Å; I527-I662 HydrophobicContact CG2-CG2 4.46Å
528V93.2Very high93.9Very high31 Ų3117.6 Ų17.619%0.1889%0.09CC..  trans-130.7168.3-171.9-66.50000111L476 D530 L532L476-V528 HydrophobicContact CB-CG2 4.47Å; V528-D530 PolarHBondContact O-N 3.28Å; V528-L532 PolarHBondContact O-N 3.22Å
529Q91.7Very high94Very high78 Ų7817.6 Ų17.636%0.3649%0.09SC..Hα-helixtrans48.7-131.8172.1-61.2-179.2-2100112.7T531 L532 T533 S764Q529-T531 PolarHBondContact O-N 3.28Å; Q529-L532 PolarHBondContact O-N 3.48Å; Q529-L532 VanDerWaalsContact O-N 3.08Å; Q529-T533 PolarHBondContact O-N 2.77Å; Q529-T533 VanDerWaalsContact O-N 3.13Å; Q529-T533 PolarHBondContact O-OG1 3.45Å; Q529-S764 VanDerWaalsContact O-CB 3.32Å; Q529-S764 WeakPolarHBondContact O-CB 3.36Å
530D93.6Very high94.1Very high95 Ų9517.8 Ų17.851%0.5089%0.09SC..Hα-helixtrans-60.7-44.4-169-58.2-12.9000112.3V528 L532 T533 A534 L670V528-D530 PolarHBondContact O-N 3.28Å; D530-L532 PolarHBondContact O-N 3.14Å; D530-T533 PolarHBondContact O-N 3.28Å; D530-A534 VanDerWaalsContact O-CB 3.23Å; D530-A534 WeakPolarHBondContact O-CB 3.2Å; D530-A534 PolarHBondContact O-N 3.1Å; D530-L670 HydrophobicContact CB-CD2 3.96Å
531T95.2Very high94.2Very high3 Ų323.8 Ų23.82%0.01811%0.112CC..Hα-helixtrans-59.9-35.9177.2-46.20000111.4I527 Q529 V535 I662 Q663 V666 N667I527-T531 HydrophobicContact CG2-CG2 3.6Å; Q529-T531 PolarHBondContact O-N 3.28Å; T531-V535 WeakPolarHBondContact O-CB 3.34Å; T531-V535 WeakPolarHBondContact O-CG2 3.49Å; T531-V535 PolarHBondContact O-N 3.04Å; T531-I662 HydrophobicContact CG2-CG2 3.89Å; T531-Q663 HydrophobicContact CG2-CG 4.12Å; T531-V666 HydrophobicContact CG2-CB 4.05Å; T531-V666 HydrophobicContact CG2-CG1 4.05Å; T531-N667 WeakPolarHBondContact CB-OD1 3.44Å; T531-N667 PolarHBondContact OG1-ND2 2.94Å; T531-N667 PolarHBondContact OG1-OD1 3.18Å
532L95.5Very high94.1Very high3 Ų327.6 Ų27.62%0.01613%0.133CC..Hα-helixtrans-72.3-40.7177.6-174.162.2000112.1I527 V528 Q529 D530 A534 N536 K632 L635I527-L532 HydrophobicContact CG2-CB 4.09Å; I527-L532 HydrophobicContact CG2-CD1 4.48Å; V528-L532 PolarHBondContact O-N 3.22Å; Q529-L532 PolarHBondContact O-N 3.48Å; Q529-L532 VanDerWaalsContact O-N 3.08Å; D530-L532 PolarHBondContact O-N 3.14Å; L532-A534 VanDerWaalsContact C-N 3.34Å; L532-N536 PolarHBondContact O-N 2.84Å; L532-N536 VanDerWaalsContact O-N 3.13Å; L532-K632 HydrophobicContact CD2-CB 4.07Å; L532-K632 HydrophobicContact CD2-CG 4.48Å; L532-L635 HydrophobicContact CD1-CB 4.3Å
533T94.9Very high94.2Very high4 Ų425.4 Ų25.43%0.02513%0.125CC..Hα-helixtrans-62.4-44173.5-48.50000110.8Q529 D530 N536 K537 I758 M759 S764Q529-T533 PolarHBondContact O-N 2.77Å; Q529-T533 VanDerWaalsContact O-N 3.13Å; Q529-T533 PolarHBondContact O-OG1 3.45Å; D530-T533 PolarHBondContact O-N 3.28Å; T533-N536 WeakPolarHBondContact O-CB 3.48Å; T533-N536 PolarHBondContact O-N 2.89Å; T533-K537 PolarHBondContact O-N 3.18Å; T533-I758 HydrophobicContact CG2-CG2 3.98Å; T533-M759 HydrophobicContact CG2-CG 4.24Å; T533-S764 WeakPolarHBondContact OG1-CB 3.47Å; T533-S764 PolarHBondContact OG1-OG 2.74Å
534A95.4Very high94.2Very high0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-66.3-44.5179.900000112.3D530 L532 N536 K537 M538 V666 W669 L670D530-A534 VanDerWaalsContact O-CB 3.23Å; D530-A534 WeakPolarHBondContact O-CB 3.2Å; D530-A534 PolarHBondContact O-N 3.1Å; L532-A534 VanDerWaalsContact C-N 3.34Å; A534-N536 PolarHBondContact O-N 3.06Å; A534-K537 PolarHBondContact O-N 3.14Å; A534-K537 VanDerWaalsContact O-N 3.17Å; A534-M538 VanDerWaalsContact O-CB 3.3Å; A534-M538 WeakPolarHBondContact O-CB 3.35Å; A534-M538 PolarHBondContact O-N 2.78Å; A534-V666 HydrophobicContact CB-CG1 3.34Å; A534-W669 HydrophobicContact CB-CE3 4.39Å; A534-W669 HydrophobicContact CB-CZ3 4.32Å; A534-W669 VanDerWaalsContact O-CZ3 3.29Å; A534-W669 WeakPolarHBondContact O-CZ3 3.1Å; A534-L670 HydrophobicContact CB-CB 3.94Å; A534-L670 HydrophobicContact CB-CD1 3.93Å; A534-L670 HydrophobicContact CB-CD2 4.04Å; A534-L670 HydrophobicContact CB-CG 4.18Å
535V95.4Very high94.3Very high0 Ų028.4 Ų28.40%014%0.136CC..Hα-helixtrans-56.7-41.4171.4167.10000110.9T531 K537 M538 T539 F582 L630 L635 I662 V666T531-V535 WeakPolarHBondContact O-CB 3.34Å; T531-V535 WeakPolarHBondContact O-CG2 3.49Å; T531-V535 PolarHBondContact O-N 3.04Å; V535-K537 VanDerWaalsContact C-N 3.35Å; V535-K537 PolarHBondContact O-N 3.25Å; V535-M538 PolarHBondContact O-N 3.41Å; V535-T539 HydrophobicContact CG1-CG2 4.11Å; V535-T539 WeakPolarHBondContact O-CB 3.36Å; V535-T539 WeakPolarHBondContact O-CG2 3.49Å; V535-T539 PolarHBondContact O-N 2.85Å; V535-T539 PolarHBondContact O-OG1 3.14Å; V535-F582 HydrophobicContact CG1-CE2 4.26Å; V535-F582 HydrophobicContact CG2-CE2 3.96Å; V535-L630 HydrophobicContact CG1-CB 3.49Å; V535-L630 VanDerWaalsContact CG1-CB 3.49Å; V535-L630 HydrophobicContact CG1-CD1 3.98Å; V535-L630 HydrophobicContact CG1-CG 4.31Å; V535-L635 HydrophobicContact CB-CD1 4.31Å; V535-L635 HydrophobicContact CG1-CD1 3.61Å; V535-L635 HydrophobicContact CG2-CD1 4.15Å; V535-I662 HydrophobicContact CG2-CG2 4.14Å; V535-V666 HydrophobicContact CG2-CB 4.31Å; V535-V666 HydrophobicContact CG2-CG1 3.9Å; V535-V666 HydrophobicContact CG2-CG2 3.66Å
536N94.6Very high94.3Very high4 Ų431.5 Ų31.52%0.02115%0.153CC..Hα-helixtrans-64.6-36.9179.1-174.1-100000113L532 T533 A534 Q540 H596 I629 L630 A762L532-N536 PolarHBondContact O-N 2.84Å; L532-N536 VanDerWaalsContact O-N 3.13Å; T533-N536 WeakPolarHBondContact O-CB 3.48Å; T533-N536 PolarHBondContact O-N 2.89Å; A534-N536 PolarHBondContact O-N 3.06Å; N536-Q540 WeakPolarHBondContact O-CG 3.19Å; N536-Q540 PolarHBondContact O-NE2 3.3Å; N536-H596 PolarHBondContact ND2-CE1 2.94Å; N536-I629 WeakPolarHBondContact ND2-CG2 3.46Å; N536-I629 WeakPolarHBondContact O-CG2 3.48Å; N536-L630 WeakPolarHBondContact CA-O 3.4Å; N536-L630 PolarHBondContact ND2-O 3.3Å; N536-A762 HydrophobicContact CB-CB 3.51Å
537K94.3Very high94.3Very high24 Ų2437.6 Ų37.610%0.10418%0.175CC..Hα-helixtrans-68.9-53.2170.4-67.2-177.260.4175.20111.1T533 A534 V535 T539 Q540 V543 W669 E673 G674 I758T533-K537 PolarHBondContact O-N 3.18Å; A534-K537 PolarHBondContact O-N 3.14Å; A534-K537 VanDerWaalsContact O-N 3.17Å; V535-K537 VanDerWaalsContact C-N 3.35Å; V535-K537 PolarHBondContact O-N 3.25Å; K537-T539 VanDerWaalsContact C-N 3.28Å; K537-T539 PolarHBondContact O-N 3.07Å; K537-Q540 VanDerWaalsContact O-CG 3.31Å; K537-Q540 WeakPolarHBondContact O-CG 3.23Å; K537-Q540 PolarHBondContact O-N 3.41Å; K537-Q540 VanDerWaalsContact O-N 3.16Å; K537-V543 VanDerWaalsContact O-CG2 3.27Å; K537-V543 WeakPolarHBondContact O-CG2 3.24Å; K537-W669 HydrophobicContact CB-CH2 3.66Å; K537-W669 HydrophobicContact CB-CZ3 3.94Å; K537-E673 WeakPolarHBondContact CE-OE1 3.28Å; K537-E673 VanDerWaalsContact NZ-CG 3.27Å; K537-E673 IonicContact NZ-OE1 2.67Å; K537-E673 PolarHBondContact NZ-OE1 2.87Å; K537-G674 PolarHBondContact NZ-O 3.43Å; K537-I758 HydrophobicContact CG-CG2 4.06Å
538M94.4Very high94.2Very high0 Ų041.2 Ų41.20%020%0.2CC..Hα-helixtrans-59.3-35.2-174-164.3-179.478.800113.3A534 V535 Q540 G578 L581 F582 V666 W669A534-M538 VanDerWaalsContact O-CB 3.3Å; A534-M538 WeakPolarHBondContact O-CB 3.35Å; A534-M538 PolarHBondContact O-N 2.78Å; V535-M538 PolarHBondContact O-N 3.41Å; M538-Q540 VanDerWaalsContact C-N 3.33Å; M538-Q540 PolarHBondContact O-N 3.44Å; M538-G578 WeakPolarHBondContact O-CA 3.37Å; M538-L581 HydrophobicContact SD-CD2 4.33Å; M538-F582 HydrophobicContact CE-CB 3.89Å; M538-F582 HydrophobicContact CE-CD2 3.73Å; M538-F582 HydrophobicContact CE-CG 4.3Å; M538-V666 HydrophobicContact CE-CG2 3.98Å; M538-V666 HydrophobicContact SD-CG2 4.28Å; M538-W669 VanDerWaalsContact CA-CH2 3.49Å; M538-W669 HydrophobicContact CB-CD2 4.01Å; M538-W669 HydrophobicContact CB-CE3 3.74Å; M538-W669 HydrophobicContact CB-CH2 3.75Å; M538-W669 HydrophobicContact CB-CZ2 4.04Å; M538-W669 HydrophobicContact CB-CZ3 3.61Å; M538-W669 HydrophobicContact CG-CD2 3.75Å; M538-W669 HydrophobicContact CG-CE3 4Å; M538-W669 HydrophobicContact CG-CG 4.23Å; M538-W669 HydrophobicContact CG-CH2 4.33Å; M538-W669 HydrophobicContact CG-CZ2 4.12Å; M538-W669 HydrophobicContact CG-CZ3 4.29Å; M538-W669 VanDerWaalsContact N-CH2 3.35Å; M538-W669 HydrophobicContact SD-CB 4.22Å; M538-W669 HydrophobicContact SD-CD2 3.95Å; M538-W669 HydrophobicContact SD-CE3 4.24Å; M538-W669 HydrophobicContact SD-CG 3.93Å
539T95.4Very high94.2Very high0 Ų042 Ų420%020%0.202CC..THydrogen-bonded Turntrans-88.710-177.458.70000114.2V535 K537 K579 F582 L625 L630V535-T539 HydrophobicContact CG1-CG2 4.11Å; V535-T539 WeakPolarHBondContact O-CB 3.36Å; V535-T539 WeakPolarHBondContact O-CG2 3.49Å; V535-T539 PolarHBondContact O-N 2.85Å; V535-T539 PolarHBondContact O-OG1 3.14Å; K537-T539 VanDerWaalsContact C-N 3.28Å; K537-T539 PolarHBondContact O-N 3.07Å; T539-K579 WeakPolarHBondContact O-CE 3.03Å; T539-K579 PolarHBondContact O-NZ 3.23Å; T539-F582 HydrophobicContact CG2-CB 4.35Å; T539-F582 HydrophobicContact CG2-CD2 4.48Å; T539-F582 HydrophobicContact CG2-CG 4.35Å; T539-L625 HydrophobicContact CG2-CD2 4.03Å; T539-L630 HydrophobicContact CG2-CB 4.3Å; T539-L630 HydrophobicContact CG2-CD1 4Å; T539-L630 HydrophobicContact CG2-CG 3.99Å; T539-L630 PolarHBondContact OG1-N 3.31Å
540Q93.4Very high94.2Very high26 Ų2638.3 Ų38.312%0.12119%0.185CC..SBendtrans-70.2163170.1-54.8-177.218.800111.8N536 K537 M538 D542 V543 I629N536-Q540 WeakPolarHBondContact O-CG 3.19Å; N536-Q540 PolarHBondContact O-NE2 3.3Å; K537-Q540 VanDerWaalsContact O-CG 3.31Å; K537-Q540 WeakPolarHBondContact O-CG 3.23Å; K537-Q540 PolarHBondContact O-N 3.41Å; K537-Q540 VanDerWaalsContact O-N 3.16Å; M538-Q540 VanDerWaalsContact C-N 3.33Å; M538-Q540 PolarHBondContact O-N 3.44Å; Q540-D542 VanDerWaalsContact C-N 3.3Å; Q540-D542 WeakPolarHBondContact CB-OD1 3.44Å; Q540-V543 HydrophobicContact CB-CG2 4.47Å; Q540-I629 HydrophobicContact CG-CD1 4.16Å; Q540-I629 HydrophobicContact CG-CG1 4.29Å; Q540-I629 HydrophobicContact CG-CG2 4.37Å
541R92.6Very high94.2Very high129 Ų12938 Ų3849%0.48718%0.181SC..THydrogen-bonded Turntrans-74.5-22.9-176.3-167.4178.5-67.4157.3-3.3113S612 P613 D615R541-S612 PolarHBondContact NH2-O 3.16Å; R541-P613 PolarHBondContact NH1-O 3.26Å; R541-D615 IonicContact CZ-OD1 3.94Å; R541-D615 IonicContact NE-OD1 2.84Å; R541-D615 IonicContact NE-OD2 2.78Å; R541-D615 VanDerWaalsContact NH2-CB 3.26Å; R541-D615 VanDerWaalsContact NH2-CG 3.28Å; R541-D615 IonicContact NH2-OD1 3.74Å; R541-D615 PolarHBondContact NH2-OD1 3.47Å
542D91.9Very high94.1Very high80 Ų8041.6 Ų41.643%0.42820%0.2SC..THydrogen-bonded Turntrans-89-5-176.737.8-12.3000114.3Q540 F544 K752Q540-D542 VanDerWaalsContact C-N 3.3Å; Q540-D542 WeakPolarHBondContact CB-OD1 3.44Å; D542-F544 WeakPolarHBondContact O-CD2 3.4Å; D542-K752 VanDerWaalsContact CG-NZ 3.32Å; D542-K752 IonicContact OD1-NZ 3.16Å; D542-K752 PolarHBondContact OD1-NZ 3.3Å; D542-K752 VanDerWaalsContact OD1-NZ 3.16Å; D542-K752 IonicContact OD2-NZ 2.67Å; D542-K752 PolarHBondContact OD2-NZ 3.13Å
543V94.2Very high94Very high25 Ų2541.4 Ų41.415%0.15220%0.2CC..  trans-88114.9178.2177.60000111.8K537 Q540 T577 G578 W669K537-V543 VanDerWaalsContact O-CG2 3.27Å; K537-V543 WeakPolarHBondContact O-CG2 3.24Å; Q540-V543 HydrophobicContact CB-CG2 4.47Å; V543-T577 WeakPolarHBondContact O-CA 3.43Å; V543-G578 PolarHBondContact O-N 3.03Å; V543-W669 HydrophobicContact CG1-CZ2 3.87Å
544F95.6Very high93.9Very high88 Ų8841.3 Ų41.339%0.38620%0.199SC..EExtended strand (participates in β ladder)trans-115.5147.8173.7-63.3-77.7000111.3D542 I569 L575 W576 T577D542-F544 WeakPolarHBondContact O-CD2 3.4Å; F544-I569 HydrophobicContact CD1-CD1 4.06Å; F544-I569 HydrophobicContact CE1-CD1 3.43Å; F544-I569 VanDerWaalsContact CE1-CD1 3.43Å; F544-I569 HydrophobicContact CE1-CG1 4.32Å; F544-I569 HydrophobicContact CZ-CD1 3.9Å; F544-L575 HydrophobicContact CB-CB 4.31Å; F544-L575 HydrophobicContact CB-CD1 4.26Å; F544-L575 HydrophobicContact CD1-CB 4.14Å; F544-L575 HydrophobicContact CD1-CD1 4.48Å; F544-L575 HydrophobicContact CG-CD1 4.35Å; F544-W576 CarbonylContact C-O 3.57Å; F544-W576 VanDerWaalsContact CA-O 3.27Å; F544-W576 WeakPolarHBondContact CA-O 3.39Å; F544-T577 HydrophobicContact CD1-CG2 4.14Å; F544-T577 HydrophobicContact CE1-CG2 3.9Å
545L94.4Very high93.7Very high3 Ų347.7 Ų47.72%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-117.8132.4178.5-59.8173.8000110E549 M550 L553 W576 L581L545-E549 WeakPolarHBondContact CA-OE2 3.48Å; L545-M550 HydrophobicContact CD1-SD 4.01Å; L545-L553 HydrophobicContact CD1-CD1 4.17Å; L545-L553 HydrophobicContact CD2-CD1 4.22Å; L545-W576 HydrophobicContact CB-CB 4.43Å; L545-W576 PolarHBondContact N-O 3.02Å; L545-W576 PolarHBondContact O-N 3.31Å; L545-W576 VanDerWaalsContact O-N 3.13Å; L545-L581 HydrophobicContact CD1-CB 3.97Å; L545-L581 HydrophobicContact CD1-CD2 3.61Å; L545-L581 HydrophobicContact CD1-CG 4.41Å
546N94.1Very high93.5Very high64 Ų6452.3 Ų52.334%0.34225%0.248SC..  trans-72.1162.1170.5-65.5-57.6000110.9S548 E549 M550 L575N546-S548 VanDerWaalsContact C-N 3.27Å; N546-S548 PolarHBondContact O-N 2.79Å; N546-E549 WeakPolarHBondContact CB-OE1 3.45Å; N546-E549 PolarHBondContact N-OE2 2.93Å; N546-E549 PolarHBondContact ND2-OE1 3.46Å; N546-E549 PolarHBondContact ND2-OE2 2.84Å; N546-E549 PolarHBondContact O-N 3.03Å; N546-M550 WeakPolarHBondContact O-CB 3.43Å; N546-M550 PolarHBondContact O-N 2.68Å; N546-L575 WeakPolarHBondContact OD1-CD2 3.41Å
547R93.6Very high93.2Very high131 Ų13152.4 Ų52.449%0.49425%0.249SC..Hα-helixtrans-56.8-39178.7-172.7-179.3174.21670.2113M551 W576R547-M551 HydrophobicContact CG-CE 4.09Å; R547-M551 HydrophobicContact CG-CG 4.44Å; R547-M551 HydrophobicContact CG-SD 4.05Å; R547-M551 WeakPolarHBondContact O-CB 3.47Å; R547-M551 VanDerWaalsContact O-CG 3.22Å; R547-M551 WeakPolarHBondContact O-CG 3.4Å; R547-M551 PolarHBondContact O-N 2.97Å; R547-W576 HydrophobicContact CB-CH2 4.36Å; R547-W576 HydrophobicContact CB-CZ3 3.89Å; R547-W576 HydrophobicContact CG-CH2 4.26Å; R547-W576 HydrophobicContact CG-CZ3 4.26Å
548S93.9Very high92.7Very high77 Ų7756.2 Ų56.254%0.53828%0.276SS..Hα-helixtrans-63.6-51.6178.340.60000112.1N546 M551 N552N546-S548 VanDerWaalsContact C-N 3.27Å; N546-S548 PolarHBondContact O-N 2.79Å; S548-M551 PolarHBondContact O-N 2.83Å; S548-N552 PolarHBondContact O-N 2.82Å
549E93.3Very high92.1Very high49 Ų4959.5 Ų59.523%0.22930%0.296CS..Hα-helixtrans-58.8-47.8176.3-67.7141.1-146.500111L545 N546 M551 N552 L553L545-E549 WeakPolarHBondContact CA-OE2 3.48Å; N546-E549 WeakPolarHBondContact CB-OE1 3.45Å; N546-E549 PolarHBondContact N-OE2 2.93Å; N546-E549 PolarHBondContact ND2-OE1 3.46Å; N546-E549 PolarHBondContact ND2-OE2 2.84Å; N546-E549 PolarHBondContact O-N 3.03Å; E549-M551 PolarHBondContact O-N 2.88Å; E549-N552 PolarHBondContact O-N 2.78Å; E549-L553 WeakPolarHBondContact O-CB 3.46Å; E549-L553 VanDerWaalsContact O-CG 3.26Å; E549-L553 WeakPolarHBondContact O-CG 3.49Å; E549-L553 PolarHBondContact O-N 2.89Å
550M93.3Very high91.6Very high0 Ų062.9 Ų62.90%031%0.309CS..Hα-helixtrans-58.5-45.7178.6-170.666.6-175.100111.7L545 N546 N552 L553 L554 M564 P565 W576 L581 L584L545-M550 HydrophobicContact CD1-SD 4.01Å; N546-M550 WeakPolarHBondContact O-CB 3.43Å; N546-M550 PolarHBondContact O-N 2.68Å; M550-N552 PolarHBondContact O-N 2.84Å; M550-L553 PolarHBondContact O-N 3.25Å; M550-L554 HydrophobicContact CE-CD1 4.18Å; M550-L554 HydrophobicContact CE-CD2 4.23Å; M550-L554 HydrophobicContact CE-CG 4.25Å; M550-L554 HydrophobicContact CG-CD1 4.15Å; M550-L554 WeakPolarHBondContact O-CB 3.18Å; M550-L554 WeakPolarHBondContact O-CD1 3.36Å; M550-L554 WeakPolarHBondContact O-CG 3.47Å; M550-L554 PolarHBondContact O-N 2.77Å; M550-M564 HydrophobicContact CG-SD 4.42Å; M550-P565 HydrophobicContact CE-CG 3.57Å; M550-W576 HydrophobicContact CB-CD2 4.44Å; M550-W576 HydrophobicContact CB-CE3 4.31Å; M550-W576 HydrophobicContact CE-CG 4.31Å; M550-W576 HydrophobicContact CG-CB 4.45Å; M550-W576 HydrophobicContact CG-CD2 4.03Å; M550-W576 HydrophobicContact CG-CE3 4.39Å; M550-W576 HydrophobicContact CG-CG 4.05Å; M550-W576 HydrophobicContact SD-CB 4.01Å; M550-W576 HydrophobicContact SD-CG 4.09Å; M550-L581 HydrophobicContact CE-CB 4.27Å; M550-L581 HydrophobicContact CE-CD1 3.93Å; M550-L581 HydrophobicContact SD-CB 4.2Å; M550-L581 HydrophobicContact SD-CD1 4.03Å; M550-L584 HydrophobicContact CE-CD1 4.1Å
551M93.2Very high91.2Very high87 Ų8767.1 Ų67.143%0.42933%0.333SS..Hα-helixtrans-64.9-38.5177.2-70.6-180-44.100112.3R547 S548 E549 M555 M564R547-M551 HydrophobicContact CG-CE 4.09Å; R547-M551 HydrophobicContact CG-CG 4.44Å; R547-M551 HydrophobicContact CG-SD 4.05Å; R547-M551 WeakPolarHBondContact O-CB 3.47Å; R547-M551 VanDerWaalsContact O-CG 3.22Å; R547-M551 WeakPolarHBondContact O-CG 3.4Å; R547-M551 PolarHBondContact O-N 2.97Å; S548-M551 PolarHBondContact O-N 2.83Å; E549-M551 PolarHBondContact O-N 2.88Å; M551-M555 VanDerWaalsContact O-CG 3.3Å; M551-M555 WeakPolarHBondContact O-CG 3.27Å; M551-M555 PolarHBondContact O-N 2.89Å; M551-M564 HydrophobicContact CG-SD 4.21Å
552N93Very high90.9Very high79 Ų7963.4 Ų63.442%0.42234%0.335SS..Hα-helixtrans-65.2-47.4176.5-170.919.5000111.5S548 E549 M550 L554 M555 Y556S548-N552 PolarHBondContact O-N 2.82Å; E549-N552 PolarHBondContact O-N 2.78Å; M550-N552 PolarHBondContact O-N 2.84Å; N552-L554 VanDerWaalsContact C-N 3.35Å; N552-L554 PolarHBondContact O-N 2.8Å; N552-M555 WeakPolarHBondContact O-CB 3.47Å; N552-M555 PolarHBondContact O-N 2.78Å; N552-M555 VanDerWaalsContact O-N 3.11Å; N552-Y556 VanDerWaalsContact O-CD2 3.3Å; N552-Y556 WeakPolarHBondContact O-CD2 3.43Å
553L93.4Very high90.7Very high0 Ų069 Ų690%035%0.35CS..Hα-helixtrans-66.2-35.2-178.8-66.3167.6000112.6L545 E549 M550 M555 Y556 L581 V665 N668 W669 I672L545-L553 HydrophobicContact CD1-CD1 4.17Å; L545-L553 HydrophobicContact CD2-CD1 4.22Å; E549-L553 WeakPolarHBondContact O-CB 3.46Å; E549-L553 VanDerWaalsContact O-CG 3.26Å; E549-L553 WeakPolarHBondContact O-CG 3.49Å; E549-L553 PolarHBondContact O-N 2.89Å; M550-L553 PolarHBondContact O-N 3.25Å; L553-M555 PolarHBondContact O-N 2.99Å; L553-Y556 PolarHBondContact O-N 3.37Å; L553-L581 HydrophobicContact CB-CD1 4.37Å; L553-L581 HydrophobicContact CB-CD2 3.89Å; L553-L581 HydrophobicContact CD1-CD2 3.63Å; L553-L581 HydrophobicContact CG-CD2 4.32Å; L553-V665 HydrophobicContact CB-CG1 4.48Å; L553-N668 HydrophobicContact CD2-CB 4.18Å; L553-W669 HydrophobicContact CD1-CB 4.24Å; L553-W669 HydrophobicContact CD1-CG 4.42Å; L553-W669 HydrophobicContact CD2-CB 3.84Å; L553-I672 HydrophobicContact CD2-CD1 4.37Å
554L92.9Very high90.4Very high1 Ų170.9 Ų70.91%0.00536%0.357CS..Hα-helixtrans-62.5-27.9173-74.7171000113.3M550 N552 Y556 L557 W560 M564 L581 L584M550-L554 HydrophobicContact CE-CD1 4.18Å; M550-L554 HydrophobicContact CE-CD2 4.23Å; M550-L554 HydrophobicContact CE-CG 4.25Å; M550-L554 HydrophobicContact CG-CD1 4.15Å; M550-L554 WeakPolarHBondContact O-CB 3.18Å; M550-L554 WeakPolarHBondContact O-CD1 3.36Å; M550-L554 WeakPolarHBondContact O-CG 3.47Å; M550-L554 PolarHBondContact O-N 2.77Å; N552-L554 VanDerWaalsContact C-N 3.35Å; N552-L554 PolarHBondContact O-N 2.8Å; L554-Y556 PolarHBondContact O-N 3.02Å; L554-L557 PolarHBondContact O-N 2.99Å; L554-W560 HydrophobicContact CB-CD2 4.24Å; L554-W560 HydrophobicContact CB-CE3 4.39Å; L554-W560 HydrophobicContact CD1-CZ2 3.88Å; L554-W560 HydrophobicContact CD2-CD2 4.41Å; L554-W560 HydrophobicContact CD2-CG 4.3Å; L554-M564 HydrophobicContact CD1-CB 4.29Å; L554-M564 HydrophobicContact CD1-CG 3.98Å; L554-L581 HydrophobicContact CD2-CD1 4.36Å; L554-L584 HydrophobicContact CD2-CD1 3.43Å; L554-L584 VanDerWaalsContact CD2-CD1 3.43Å
555M91.6Very high90.2Very high134 Ų13468.1 Ų68.166%0.6635%0.349SS*.THydrogen-bonded Turntrans-73.7-14.5178.5-62.3-85.566.900113.5M551 N552 L553 W560M551-M555 VanDerWaalsContact O-CG 3.3Å; M551-M555 WeakPolarHBondContact O-CG 3.27Å; M551-M555 PolarHBondContact O-N 2.89Å; N552-M555 WeakPolarHBondContact O-CB 3.47Å; N552-M555 PolarHBondContact O-N 2.78Å; N552-M555 VanDerWaalsContact O-N 3.11Å; L553-M555 PolarHBondContact O-N 2.99Å; M555-W560 HydrophobicContact CE-CE3 3.76Å; M555-W560 HydrophobicContact CE-CZ3 3.62Å
556Y90.3Very high90.1Very high97 Ų9775.8 Ų75.838%0.3838%0.382SS..THydrogen-bonded Turntrans-89.74.9172.8-66.7-75.5000113.9N552 L553 L554 P558 T664 N668N552-Y556 VanDerWaalsContact O-CD2 3.3Å; N552-Y556 WeakPolarHBondContact O-CD2 3.43Å; L553-Y556 PolarHBondContact O-N 3.37Å; L554-Y556 PolarHBondContact O-N 3.02Å; Y556-P558 WeakPolarHBondContact O-CD 3.33Å; Y556-T664 WeakPolarHBondContact O-CB 3.41Å; Y556-T664 PolarHBondContact O-OG1 2.94Å; Y556-N668 VanDerWaalsContact CD1-ND2 3.26Å; Y556-N668 WeakPolarHBondContact CD1-ND2 3.49Å; Y556-N668 HydrophobicContact CD2-CB 3.88Å; Y556-N668 WeakPolarHBondContact CE1-ND2 3.38Å; Y556-N668 HydrophobicContact CE2-CB 3.92Å; Y556-N668 HydrophobicContact CG-CB 4.28Å
557L87.8Confident90.1Very high7 Ų773.5 Ų73.54%0.03737%0.37CS..  trans-110.797.1-178.3-166.8140.7000110L554 T559 W560 L584 V585 V665L554-L557 PolarHBondContact O-N 2.99Å; L557-T559 VanDerWaalsContact CD2-OG1 3.22Å; L557-T559 WeakPolarHBondContact CD2-OG1 3.49Å; L557-T559 PolarHBondContact O-N 3.44Å; L557-T559 VanDerWaalsContact O-N 3.15Å; L557-W560 HydrophobicContact CB-CB 4.5Å; L557-W560 HydrophobicContact CD2-CB 3.68Å; L557-W560 VanDerWaalsContact O-CB 3.26Å; L557-W560 WeakPolarHBondContact O-CB 3.13Å; L557-W560 PolarHBondContact O-N 3.25Å; L557-W560 VanDerWaalsContact O-N 3.12Å; L557-L584 HydrophobicContact CD1-CB 4.37Å; L557-V585 HydrophobicContact CD1-CB 4.48Å; L557-V585 HydrophobicContact CD1-CG2 3.73Å; L557-V665 HydrophobicContact CB-CG2 3.94Å; L557-V665 HydrophobicContact CD1-CG2 3.97Å; L557-V665 HydrophobicContact CG-CG2 4.43Å
558P83.8Confident90.1Very high103 Ų10369.9 Ų69.967%0.66937%0.368SS*.THydrogen-bonded Turntrans-62.3-23.4-175.4-2434.6000114.5Y556 W560 N661Y556-P558 WeakPolarHBondContact O-CD 3.33Å; P558-W560 PolarHBondContact O-N 2.8Å; P558-N661 WeakPolarHBondContact CD-OD1 3.27Å
559T82.3Confident90.2Very high69 Ų6968.8 Ų68.842%0.42336%0.356SS..THydrogen-bonded Turntrans-84.711.7178.752.80000113.3L557 N561 M657 N661L557-T559 VanDerWaalsContact CD2-OG1 3.22Å; L557-T559 WeakPolarHBondContact CD2-OG1 3.49Å; L557-T559 PolarHBondContact O-N 3.44Å; L557-T559 VanDerWaalsContact O-N 3.15Å; T559-N561 PolarHBondContact O-N 3.26Å; T559-M657 HydrophobicContact CG2-CE 3.49Å; T559-M657 VanDerWaalsContact CG2-CE 3.49Å; T559-M657 HydrophobicContact CG2-SD 4.3Å; T559-N661 PolarHBondContact OG1-ND2 3.41Å
560W85.6Confident90.2Very high71 Ų7172.7 Ų72.727%0.26937%0.37SS..  trans-77.4122.6-172.6-176.546.6000111L554 M555 L557 P558 G562 R563 M564L554-W560 HydrophobicContact CB-CD2 4.24Å; L554-W560 HydrophobicContact CB-CE3 4.39Å; L554-W560 HydrophobicContact CD1-CZ2 3.88Å; L554-W560 HydrophobicContact CD2-CD2 4.41Å; L554-W560 HydrophobicContact CD2-CG 4.3Å; M555-W560 HydrophobicContact CE-CE3 3.76Å; M555-W560 HydrophobicContact CE-CZ3 3.62Å; L557-W560 HydrophobicContact CB-CB 4.5Å; L557-W560 HydrophobicContact CD2-CB 3.68Å; L557-W560 VanDerWaalsContact O-CB 3.26Å; L557-W560 WeakPolarHBondContact O-CB 3.13Å; L557-W560 PolarHBondContact O-N 3.25Å; L557-W560 VanDerWaalsContact O-N 3.12Å; P558-W560 PolarHBondContact O-N 2.8Å; W560-G562 WeakPolarHBondContact CZ2-O 3.34Å; W560-G562 PolarHBondContact O-N 2.86Å; W560-R563 PolarHBondContact NE1-O 3.18Å; W560-M564 HydrophobicContact CZ2-CB 4.44Å
561N85.2Confident90.1Very high116 Ų11681.3 Ų81.362%0.6241%0.407SS*.  trans-71.114.6179.565.49.1000114.9T559 R563T559-N561 PolarHBondContact O-N 3.26Å; N561-R563 PolarHBondContact O-N 3.38Å; N561-R563 VanDerWaalsContact O-N 3.14Å; N561-R563 WeakPolarHBondContact OD1-CB 3.49Å; N561-R563 PolarHBondContact OD1-N 2.66Å; N561-R563 PolarHBondContact OD1-O 3.45Å
562G86.2Confident90.1Very high51 Ų5183.5 Ų83.553%0.52643%0.428SS..SBendtrans68.91.8-176.800000115.4W560W560-G562 WeakPolarHBondContact CZ2-O 3.34Å; W560-G562 PolarHBondContact O-N 2.86Å
563R87.3Confident90Very high197 Ų19785.6 Ų85.674%0.74344%0.435SS*.  trans-106.3116.7-178.7-60.3-178.8-179.5-175.40.5110.2W560 N561W560-R563 PolarHBondContact NE1-O 3.18Å; N561-R563 PolarHBondContact O-N 3.38Å; N561-R563 VanDerWaalsContact O-N 3.14Å; N561-R563 WeakPolarHBondContact OD1-CB 3.49Å; N561-R563 PolarHBondContact OD1-N 2.66Å; N561-R563 PolarHBondContact OD1-O 3.45Å
564M88.6Confident90Very high64 Ų6492.6 Ų92.632%0.31546%0.461SS..PPolyproline II helixtrans-71.6133.2173.9-173.7173.460.600109.1M550 M551 L554 W560 W576M550-M564 HydrophobicContact CG-SD 4.42Å; M551-M564 HydrophobicContact CG-SD 4.21Å; L554-M564 HydrophobicContact CD1-CB 4.29Å; L554-M564 HydrophobicContact CD1-CG 3.98Å; W560-M564 HydrophobicContact CZ2-CB 4.44Å; M564-W576 HydrophobicContact CE-CH2 3.81Å; M564-W576 HydrophobicContact CE-CZ2 3.59Å; M564-W576 HydrophobicContact CG-CZ2 4.07Å; M564-W576 HydrophobicContact SD-CH2 3.98Å; M564-W576 HydrophobicContact SD-CZ2 3.68Å
565P90.2Very high90.1Very high31 Ų3194.1 Ų94.120%0.20147%0.469CS..PPolyproline II helixtrans-64.9163.1-179.327.9-36.9000111.6M550 W576 L584M550-P565 HydrophobicContact CE-CG 3.57Å; P565-W576 PolarHBondContact O-NE1 3.09Å; P565-L584 HydrophobicContact CG-CD1 3.95Å
566K92.9Very high90.3Very high164 Ų16487.9 Ų87.971%0.71344%0.438SS*.PPolyproline II helixtrans-66130.4173.1-70175.5-175.4171.30109.5Y570 Q580K566-Y570 WeakPolarHBondContact CB-OH 3.47Å; K566-Q580 PolarHBondContact O-NE2 2.8Å
567P94.4Very high90.6Very high15 Ų1584.6 Ų84.610%0.09743%0.429CS..PPolyproline II helixtrans-63.6142.5177.726.7-33.9000110.6I569 Y570 R574 L575 W576P567-I569 VanDerWaalsContact C-N 3.26Å; P567-I569 PolarHBondContact O-N 2.97Å; P567-Y570 HydrophobicContact CG-CD1 4.06Å; P567-Y570 HydrophobicContact CG-CD2 4.19Å; P567-Y570 HydrophobicContact CG-CE1 3.85Å; P567-Y570 HydrophobicContact CG-CE2 3.98Å; P567-Y570 HydrophobicContact CG-CG 4.24Å; P567-Y570 WeakPolarHBondContact O-CE2 3.3Å; P567-R574 HydrophobicContact CB-CB 4.39Å; P567-R574 HydrophobicContact CG-CB 4.32Å; P567-R574 HydrophobicContact CG-CG 4.42Å; P567-L575 WeakPolarHBondContact CB-O 3.22Å; P567-W576 HydrophobicContact CB-CD2 3.91Å; P567-W576 HydrophobicContact CB-CE3 4.3Å; P567-W576 HydrophobicContact CB-CG 4.38Å; P567-W576 HydrophobicContact CB-CH2 4.17Å; P567-W576 HydrophobicContact CB-CZ2 3.77Å; P567-W576 HydrophobicContact CB-CZ3 4.41Å; P567-W576 HydrophobicContact CG-CH2 4.45Å; P567-W576 HydrophobicContact CG-CZ2 4.03Å
568A94Very high90.9Very high55 Ų5584.3 Ų84.346%0.45543%0.427SS..SBendtrans-63.1-35173.100000111.9L575 T577 Q580A568-L575 PolarHBondContact N-O 3.38Å; A568-L575 VanDerWaalsContact N-O 3.15Å; A568-T577 HydrophobicContact CB-CG2 3.88Å; A568-Q580 VanDerWaalsContact N-OE1 3.13Å
569I95Very high91.4Very high54 Ų5480.2 Ų80.228%0.27740%0.398SS..BIsolated β-bridgetrans-120.5124.7179-59177.8000108.8F544 P567 K571 R574 L575F544-I569 HydrophobicContact CD1-CD1 4.06Å; F544-I569 HydrophobicContact CE1-CD1 3.43Å; F544-I569 VanDerWaalsContact CE1-CD1 3.43Å; F544-I569 HydrophobicContact CE1-CG1 4.32Å; F544-I569 HydrophobicContact CZ-CD1 3.9Å; P567-I569 VanDerWaalsContact C-N 3.26Å; P567-I569 PolarHBondContact O-N 2.97Å; I569-K571 WeakPolarHBondContact CG2-O 3.44Å; I569-R574 VanDerWaalsContact O-CA 3.31Å; I569-R574 WeakPolarHBondContact O-CA 3.44Å; I569-L575 HydrophobicContact CB-CB 4.25Å; I569-L575 PolarHBondContact N-O 3.45Å; I569-L575 VanDerWaalsContact N-O 3.13Å; I569-L575 PolarHBondContact O-N 3.33Å
570Y93.2Very high92Very high132 Ų13279.2 Ų79.252%0.51839%0.389SS..  trans-97-25.1179.2-80.1-98.1000114.3K566 P567 Q573K566-Y570 WeakPolarHBondContact CB-OH 3.47Å; P567-Y570 HydrophobicContact CG-CD1 4.06Å; P567-Y570 HydrophobicContact CG-CD2 4.19Å; P567-Y570 HydrophobicContact CG-CE1 3.85Å; P567-Y570 HydrophobicContact CG-CE2 3.98Å; P567-Y570 HydrophobicContact CG-CG 4.24Å; P567-Y570 WeakPolarHBondContact O-CE2 3.3Å; Y570-Q573 CarbonylContact C-O 3.43Å
571K91.9Very high92.3Very high181 Ų18175.9 Ų75.979%0.78738%0.376SS*.SBendtrans-140.8142.6-177.3-68.6-174.3177.5-177.70108.9I569I569-K571 WeakPolarHBondContact CG2-O 3.44Å
572P92.2Very high92.8Very high133 Ų13370.3 Ų70.386%0.86435%0.347SS*.SBendcis-73.7-26.63.529.5-35.5000113.8
573Q91.2Very high93.1Very high123 Ų12368.5 Ų68.558%0.57533%0.326SS*.SBendtrans-121.2162.7174.1-67.2-178.7-10.100110.3Y570 L575Y570-Q573 CarbonylContact C-O 3.43Å; Q573-L575 HydrophobicContact CB-CG 4.5Å; Q573-L575 PolarHBondContact O-N 3.09Å
574R93.2Very high93.3Very high147 Ų14761.5 Ų61.556%0.55530%0.303SS*.  trans-83.1107.8173.9-66-176.6-173-179.12.5109P567 I569 W576P567-R574 HydrophobicContact CB-CB 4.39Å; P567-R574 HydrophobicContact CG-CB 4.32Å; P567-R574 HydrophobicContact CG-CG 4.42Å; I569-R574 VanDerWaalsContact O-CA 3.31Å; I569-R574 WeakPolarHBondContact O-CA 3.44Å; R574-W576 HydrophobicContact CB-CH2 4Å; R574-W576 HydrophobicContact CB-CZ3 3.96Å; R574-W576 WeakPolarHBondContact O-CZ3 3.38Å
575L95.6Very high93.5Very high33 Ų3358.6 Ų58.617%0.17329%0.289CS..BIsolated β-bridgetrans-121.4137.6-179.7-58.8172.8000110.6F544 N546 P567 A568 I569 Q573F544-L575 HydrophobicContact CB-CB 4.31Å; F544-L575 HydrophobicContact CB-CD1 4.26Å; F544-L575 HydrophobicContact CD1-CB 4.14Å; F544-L575 HydrophobicContact CD1-CD1 4.48Å; F544-L575 HydrophobicContact CG-CD1 4.35Å; N546-L575 WeakPolarHBondContact OD1-CD2 3.41Å; P567-L575 WeakPolarHBondContact CB-O 3.22Å; A568-L575 PolarHBondContact N-O 3.38Å; A568-L575 VanDerWaalsContact N-O 3.15Å; I569-L575 HydrophobicContact CB-CB 4.25Å; I569-L575 PolarHBondContact N-O 3.45Å; I569-L575 VanDerWaalsContact N-O 3.13Å; I569-L575 PolarHBondContact O-N 3.33Å; Q573-L575 HydrophobicContact CB-CG 4.5Å; Q573-L575 PolarHBondContact O-N 3.09Å
576W95.4Very high93.6Very high3 Ų357.8 Ų57.81%0.01128%0.283CS..EExtended strand (participates in β ladder)trans-101.4155.6170.3-68.9-98.9000109.3F544 L545 R547 M550 M564 P565 P567 R574F544-W576 CarbonylContact C-O 3.57Å; F544-W576 VanDerWaalsContact CA-O 3.27Å; F544-W576 WeakPolarHBondContact CA-O 3.39Å; L545-W576 HydrophobicContact CB-CB 4.43Å; L545-W576 PolarHBondContact N-O 3.02Å; L545-W576 PolarHBondContact O-N 3.31Å; L545-W576 VanDerWaalsContact O-N 3.13Å; R547-W576 HydrophobicContact CB-CH2 4.36Å; R547-W576 HydrophobicContact CB-CZ3 3.89Å; R547-W576 HydrophobicContact CG-CH2 4.26Å; R547-W576 HydrophobicContact CG-CZ3 4.26Å; M550-W576 HydrophobicContact CB-CD2 4.44Å; M550-W576 HydrophobicContact CB-CE3 4.31Å; M550-W576 HydrophobicContact CE-CG 4.31Å; M550-W576 HydrophobicContact CG-CB 4.45Å; M550-W576 HydrophobicContact CG-CD2 4.03Å; M550-W576 HydrophobicContact CG-CE3 4.39Å; M550-W576 HydrophobicContact CG-CG 4.05Å; M550-W576 HydrophobicContact SD-CB 4.01Å; M550-W576 HydrophobicContact SD-CG 4.09Å; M564-W576 HydrophobicContact CE-CH2 3.81Å; M564-W576 HydrophobicContact CE-CZ2 3.59Å; M564-W576 HydrophobicContact CG-CZ2 4.07Å; M564-W576 HydrophobicContact SD-CH2 3.98Å; M564-W576 HydrophobicContact SD-CZ2 3.68Å; P565-W576 PolarHBondContact O-NE1 3.09Å; P567-W576 HydrophobicContact CB-CD2 3.91Å; P567-W576 HydrophobicContact CB-CE3 4.3Å; P567-W576 HydrophobicContact CB-CG 4.38Å; P567-W576 HydrophobicContact CB-CH2 4.17Å; P567-W576 HydrophobicContact CB-CZ2 3.77Å; P567-W576 HydrophobicContact CB-CZ3 4.41Å; P567-W576 HydrophobicContact CG-CH2 4.45Å; P567-W576 HydrophobicContact CG-CZ2 4.03Å; R574-W576 HydrophobicContact CB-CH2 4Å; R574-W576 HydrophobicContact CB-CZ3 3.96Å; R574-W576 WeakPolarHBondContact O-CZ3 3.38Å
577T95.9Very high93.4Very high28 Ų2851.1 Ų51.117%0.17226%0.256CS..EExtended strand (participates in β ladder)trans-95155.7171.568.80000110.9V543 F544 A568 K579 Q580 L581V543-T577 WeakPolarHBondContact O-CA 3.43Å; F544-T577 HydrophobicContact CD1-CG2 4.14Å; F544-T577 HydrophobicContact CE1-CG2 3.9Å; A568-T577 HydrophobicContact CB-CG2 3.88Å; T577-K579 PolarHBondContact O-N 3.5Å; T577-Q580 WeakPolarHBondContact O-CB 3.35Å; T577-Q580 PolarHBondContact O-N 2.67Å; T577-Q580 WeakPolarHBondContact OG1-CG 3.23Å; T577-Q580 PolarHBondContact OG1-N 3.15Å; T577-Q580 VanDerWaalsContact OG1-N 3.14Å; T577-L581 PolarHBondContact O-N 3.3Å; T577-L581 VanDerWaalsContact O-N 3.17Å
578G94.4Very high92.8Very high0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-60.3-26.7171.900000113.5M538 V543 L581 F582M538-G578 WeakPolarHBondContact O-CA 3.37Å; V543-G578 PolarHBondContact O-N 3.03Å; G578-L581 PolarHBondContact O-N 3.21Å; G578-F582 WeakPolarHBondContact O-CB 3.44Å; G578-F582 PolarHBondContact O-N 3.44Å
579K95.4Very high92.3Very high17 Ų1755.7 Ų55.77%0.07428%0.276CS..Hα-helixtrans-66.3-41.4170.2-65.6-173.4177.562.90112.8T539 T577 L581 F582 S583 D615 L625 G628T539-K579 WeakPolarHBondContact O-CE 3.03Å; T539-K579 PolarHBondContact O-NZ 3.23Å; T577-K579 PolarHBondContact O-N 3.5Å; K579-L581 VanDerWaalsContact C-N 3.33Å; K579-L581 PolarHBondContact O-N 3.35Å; K579-F582 PolarHBondContact O-N 3.01Å; K579-S583 PolarHBondContact O-N 3.31Å; K579-S583 PolarHBondContact O-OG 2.83Å; K579-D615 WeakPolarHBondContact CE-OD2 3.36Å; K579-D615 IonicContact NZ-OD2 2.92Å; K579-D615 PolarHBondContact NZ-OD2 2.7Å; K579-L625 HydrophobicContact CB-CD2 4.13Å; K579-L625 HydrophobicContact CB-CG 4.32Å; K579-L625 HydrophobicContact CD-CD2 4.42Å; K579-L625 HydrophobicContact CD-CG 4.28Å; K579-L625 HydrophobicContact CG-CD2 3.91Å; K579-L625 HydrophobicContact CG-CG 4.24Å; K579-G628 VanDerWaalsContact CE-O 3.31Å; K579-G628 WeakPolarHBondContact CE-O 3.33Å
580Q94.1Very high92.2Very high49 Ų4953.1 Ų53.123%0.22926%0.262CS..Hα-helixtrans-63.2-39.7175.5-74.3-175-49.700111.7K566 A568 T577 S583K566-Q580 PolarHBondContact O-NE2 2.8Å; A568-Q580 VanDerWaalsContact N-OE1 3.13Å; T577-Q580 WeakPolarHBondContact O-CB 3.35Å; T577-Q580 PolarHBondContact O-N 2.67Å; T577-Q580 WeakPolarHBondContact OG1-CG 3.23Å; T577-Q580 PolarHBondContact OG1-N 3.15Å; T577-Q580 VanDerWaalsContact OG1-N 3.14Å; Q580-S583 PolarHBondContact O-N 3.26Å
581L93.2Very high92.2Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-65-44.6173.3177.961.9000111.5M538 L545 M550 L553 L554 T577 G578 K579 S583 L584 V665M538-L581 HydrophobicContact SD-CD2 4.33Å; L545-L581 HydrophobicContact CD1-CB 3.97Å; L545-L581 HydrophobicContact CD1-CD2 3.61Å; L545-L581 HydrophobicContact CD1-CG 4.41Å; M550-L581 HydrophobicContact CE-CB 4.27Å; M550-L581 HydrophobicContact CE-CD1 3.93Å; M550-L581 HydrophobicContact SD-CB 4.2Å; M550-L581 HydrophobicContact SD-CD1 4.03Å; L553-L581 HydrophobicContact CB-CD1 4.37Å; L553-L581 HydrophobicContact CB-CD2 3.89Å; L553-L581 HydrophobicContact CD1-CD2 3.63Å; L553-L581 HydrophobicContact CG-CD2 4.32Å; L554-L581 HydrophobicContact CD2-CD1 4.36Å; T577-L581 PolarHBondContact O-N 3.3Å; T577-L581 VanDerWaalsContact O-N 3.17Å; G578-L581 PolarHBondContact O-N 3.21Å; K579-L581 VanDerWaalsContact C-N 3.33Å; K579-L581 PolarHBondContact O-N 3.35Å; L581-S583 VanDerWaalsContact C-N 3.28Å; L581-S583 PolarHBondContact O-N 3.06Å; L581-L584 PolarHBondContact O-N 3.25Å; L581-V665 HydrophobicContact CD1-CG1 4.12Å; L581-V665 HydrophobicContact CD2-CG1 3.79Å; L581-V665 HydrophobicContact CG-CG1 3.96Å
582F93.8Very high92.1Very high0 Ų038.4 Ų38.40%020%0.201CC..Hα-helixtrans-64.6-31.2178.2-163.8-87.2000112.9V535 M538 T539 G578 K579 L584 V585 I586 L625 L630 L635 L642 I662V535-F582 HydrophobicContact CG1-CE2 4.26Å; V535-F582 HydrophobicContact CG2-CE2 3.96Å; M538-F582 HydrophobicContact CE-CB 3.89Å; M538-F582 HydrophobicContact CE-CD2 3.73Å; M538-F582 HydrophobicContact CE-CG 4.3Å; T539-F582 HydrophobicContact CG2-CB 4.35Å; T539-F582 HydrophobicContact CG2-CD2 4.48Å; T539-F582 HydrophobicContact CG2-CG 4.35Å; G578-F582 WeakPolarHBondContact O-CB 3.44Å; G578-F582 PolarHBondContact O-N 3.44Å; K579-F582 PolarHBondContact O-N 3.01Å; F582-L584 VanDerWaalsContact C-N 3.26Å; F582-L584 PolarHBondContact O-N 2.96Å; F582-V585 VanDerWaalsContact O-CB 3.25Å; F582-V585 WeakPolarHBondContact O-CB 3.14Å; F582-V585 PolarHBondContact O-N 3.33Å; F582-I586 HydrophobicContact CD1-CD1 4.02Å; F582-I586 HydrophobicContact CD1-CG1 4.12Å; F582-I586 HydrophobicContact CE1-CD1 3.99Å; F582-I586 HydrophobicContact CE1-CG1 3.92Å; F582-L625 HydrophobicContact CB-CD2 4.47Å; F582-L625 HydrophobicContact CD1-CD2 4.18Å; F582-L630 HydrophobicContact CD1-CD1 3.65Å; F582-L630 HydrophobicContact CD2-CD1 4.37Å; F582-L630 HydrophobicContact CE1-CD1 3.33Å; F582-L630 HydrophobicContact CE2-CD1 4.09Å; F582-L630 HydrophobicContact CG-CD1 4.18Å; F582-L630 HydrophobicContact CZ-CD1 3.58Å; F582-L635 HydrophobicContact CE2-CD1 4.28Å; F582-L635 HydrophobicContact CZ-CD1 3.87Å; F582-L635 HydrophobicContact CZ-CD2 4.26Å; F582-L642 HydrophobicContact CE1-CD2 4.47Å; F582-I662 HydrophobicContact CE2-CG1 4.17Å; F582-I662 HydrophobicContact CE2-CG2 4.39Å; F582-I662 HydrophobicContact CZ-CD1 4.24Å; F582-I662 HydrophobicContact CZ-CG1 4.15Å
583S93.8Very high92.1Very high13 Ų1336.1 Ų36.19%0.09118%0.181CC..Hα-helixtrans-60.8-36.4177.9-56.30000111.8K579 Q580 L581 V585 I586 D624 L625K579-S583 PolarHBondContact O-N 3.31Å; K579-S583 PolarHBondContact O-OG 2.83Å; Q580-S583 PolarHBondContact O-N 3.26Å; L581-S583 VanDerWaalsContact C-N 3.28Å; L581-S583 PolarHBondContact O-N 3.06Å; S583-V585 PolarHBondContact O-N 2.95Å; S583-I586 PolarHBondContact O-N 2.92Å; S583-D624 WeakPolarHBondContact CB-OD1 3.37Å; S583-L625 PolarHBondContact OG-N 3.47Å
584L91.7Very high92.2Very high50 Ų5034.2 Ų34.226%0.26217%0.169SC..THydrogen-bonded Turntrans-67.5-15.2174.6-58.6176.3000114.4M550 L554 L557 P565 L581 F582M550-L584 HydrophobicContact CE-CD1 4.1Å; L554-L584 HydrophobicContact CD2-CD1 3.43Å; L554-L584 VanDerWaalsContact CD2-CD1 3.43Å; L557-L584 HydrophobicContact CD1-CB 4.37Å; P565-L584 HydrophobicContact CG-CD1 3.95Å; L581-L584 PolarHBondContact O-N 3.25Å; F582-L584 VanDerWaalsContact C-N 3.26Å; F582-L584 PolarHBondContact O-N 2.96Å
585V92.2Very high92.2Very high3 Ų329.3 Ų29.32%0.01816%0.155CC..THydrogen-bonded Turntrans-83.5-28.8177.5-179.90000110.9L557 F582 S583 F658 N661 I662L557-V585 HydrophobicContact CD1-CB 4.48Å; L557-V585 HydrophobicContact CD1-CG2 3.73Å; F582-V585 VanDerWaalsContact O-CB 3.25Å; F582-V585 WeakPolarHBondContact O-CB 3.14Å; F582-V585 PolarHBondContact O-N 3.33Å; S583-V585 PolarHBondContact O-N 2.95Å; V585-F658 HydrophobicContact CG1-CD2 4.16Å; V585-F658 HydrophobicContact CG1-CE2 4.18Å; V585-F658 WeakPolarHBondContact O-CD2 3.4Å; V585-N661 HydrophobicContact CG1-CB 3.79Å; V585-I662 HydrophobicContact CG1-CB 4.3Å; V585-I662 HydrophobicContact CG1-CG1 3.46Å; V585-I662 VanDerWaalsContact CG1-CG1 3.46Å
586I92.3Very high92Very high13 Ų1327.9 Ų27.97%0.06715%0.147CC..SBendtrans-72.9125.5-177.4-59.6176.8000109.1F582 S583 V590 V620 G623 L642 F658F582-I586 HydrophobicContact CD1-CD1 4.02Å; F582-I586 HydrophobicContact CD1-CG1 4.12Å; F582-I586 HydrophobicContact CE1-CD1 3.99Å; F582-I586 HydrophobicContact CE1-CG1 3.92Å; S583-I586 PolarHBondContact O-N 2.92Å; I586-V590 HydrophobicContact CG2-CB 4.18Å; I586-V620 HydrophobicContact CD1-CG1 3.82Å; I586-V620 HydrophobicContact CD1-CG2 4.3Å; I586-G623 WeakPolarHBondContact CD1-O 3.34Å; I586-L642 HydrophobicContact CD1-CD2 4.02Å; I586-L642 HydrophobicContact CG1-CD2 4.29Å; I586-F658 HydrophobicContact CG1-CE2 4.23Å
587P87.7Confident91.6Very high25 Ų2529.4 Ų29.416%0.16216%0.158CC..  trans-78.8132.3-178.531-34.4000111.2V590 V646 F658P587-V590 VanDerWaalsContact O-CG2 3.29Å; P587-V590 WeakPolarHBondContact O-CG2 3.15Å; P587-V646 HydrophobicContact CG-CG1 3.72Å; P587-V646 HydrophobicContact CG-CG2 4.22Å; P587-F658 HydrophobicContact CG-CB 4.36Å; P587-F658 HydrophobicContact CG-CD2 4.39Å; P587-F658 HydrophobicContact CG-CG 4.4Å
588G81.8Confident91.2Very high50 Ų5031.5 Ų31.552%0.51517%0.171SC..SBendtrans61.1-150.2167.300000115V590G588-V590 PolarHBondContact O-N 3.11Å
589R85.4Confident90.9Very high116 Ų11632.7 Ų32.744%0.43818%0.177SC..SBendtrans-99.776.1-173.3-67.4-170.2147.8172-4.5111.2D622R589-D622 VanDerWaalsContact CB-OD1 3.3Å; R589-D622 WeakPolarHBondContact CB-OD1 3.37Å; R589-D622 WeakPolarHBondContact CD-OD1 3.42Å; R589-D622 WeakPolarHBondContact CG-OD1 3.34Å; R589-D622 IonicContact CZ-OD1 2.84Å; R589-D622 IonicContact CZ-OD2 3.98Å; R589-D622 IonicContact NE-OD1 3.88Å; R589-D622 PolarHBondContact NE-OD1 2.9Å; R589-D622 VanDerWaalsContact NE-OD1 3.11Å; R589-D622 IonicContact NE-OD2 2.67Å; R589-D622 PolarHBondContact NE-OD2 3.08Å; R589-D622 IonicContact NH2-OD2 3.87Å; R589-D622 PolarHBondContact NH2-OD2 3.06Å
590V91.4Very high90.6Very high0 Ų034.9 Ų34.90%019%0.193CC..  trans-102.8128.9-177.6174.80000110.6I586 P587 G588 V620 G623 L642 I645 V646 H650I586-V590 HydrophobicContact CG2-CB 4.18Å; P587-V590 VanDerWaalsContact O-CG2 3.29Å; P587-V590 WeakPolarHBondContact O-CG2 3.15Å; G588-V590 PolarHBondContact O-N 3.11Å; V590-V620 WeakPolarHBondContact O-CG1 3.49Å; V590-G623 PolarHBondContact O-N 3.3Å; V590-G623 VanDerWaalsContact O-N 3.15Å; V590-L642 HydrophobicContact CG1-CD1 3.6Å; V590-I645 HydrophobicContact CG1-CG2 3.81Å; V590-V646 HydrophobicContact CG1-CG2 4.3Å; V590-V646 HydrophobicContact CG2-CG2 4.09Å; V590-H650 WeakPolarHBondContact CG2-NE2 3.41Å
591N93.2Very high90.1Very high2 Ų240 Ų401%0.01122%0.217CC..  trans-115.5124.3-179.4-63.4-57.9000111.2V620 D621 D622 M978 N979N591-V620 WeakPolarHBondContact CA-O 2.97Å; N591-D621 WeakPolarHBondContact OD1-CA 3.25Å; N591-D621 PolarHBondContact OD1-OD1 3.4Å; N591-D622 PolarHBondContact OD1-N 2.99Å; N591-M978 HydrophobicContact CB-CE 3.49Å; N591-M978 VanDerWaalsContact CB-CE 3.49Å; N591-M978 HydrophobicContact CB-CG 4.07Å; N591-M978 HydrophobicContact CB-SD 3.91Å; N591-N979 PolarHBondContact ND2-OD1 3Å
592C90.8Very high89.7Confident2 Ų248.3 Ų48.31%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-149.3124.8-171.5-179.90000112.3R594 V620 L642 I645C592-R594 VanDerWaalsContact SG-CG 3.58Å; C592-V620 HydrophobicContact CB-CB 4.08Å; C592-V620 HydrophobicContact CB-CG2 4.32Å; C592-V620 PolarHBondContact N-O 3.31Å; C592-V620 PolarHBondContact O-N 3.39Å; C592-L642 HydrophobicContact CB-CD1 3.98Å; C592-I645 HydrophobicContact CB-CD1 3.77Å
593I92.9Very high89.4Confident85 Ų8549 Ų4944%0.43626%0.258SS..EExtended strand (participates in β ladder)trans-118117.4175.6-58.7173000109.2V618 M978I593-V618 WeakPolarHBondContact CA-O 3.15Å; I593-M978 HydrophobicContact CD1-SD 4.24Å
594R92.3Very high88.9Confident83 Ų8348.9 Ų48.931%0.31326%0.257SS..EExtended strand (participates in β ladder)trans-142.7172.5-176.4-65.3-63.2-70.3176.2-10.3111.9C592 V618 K633 G640C592-R594 VanDerWaalsContact SG-CG 3.58Å; R594-V618 HydrophobicContact CB-CB 4.25Å; R594-V618 PolarHBondContact N-O 2.53Å; R594-V618 PolarHBondContact O-N 3.02Å; R594-K633 PolarHBondContact NH2-O 3.13Å; R594-G640 VanDerWaalsContact CD-O 3.29Å; R594-G640 WeakPolarHBondContact CD-O 3.34Å; R594-G640 PolarHBondContact NE-O 3.18Å
595T92.9Very high88.7Confident43 Ų4351.3 Ų51.326%0.26427%0.269SS..EExtended strand (participates in β ladder)trans-121.8144.4176.256.80000111.5H599 K633T595-H599 HydrophobicContact CG2-CB 4.34Å; T595-K633 WeakPolarHBondContact O-CB 3.32Å; T595-K633 WeakPolarHBondContact O-CD 3.45Å
596H92.5Very high88.3Confident4 Ų452.6 Ų52.62%0.01928%0.283CS..  trans-71.6170.6177.1-176.962.3000111.7N536 T598 H599 T616 I629 C631 K633 V761N536-H596 PolarHBondContact ND2-CE1 2.94Å; H596-T598 VanDerWaalsContact C-N 3.26Å; H596-T598 PolarHBondContact CD2-OG1 2.78Å; H596-T598 VanDerWaalsContact CD2-OG1 3.23Å; H596-T598 PolarHBondContact O-N 2.75Å; H596-H599 PolarHBondContact O-N 3.11Å; H596-T616 WeakPolarHBondContact CB-O 3.15Å; H596-T616 PolarHBondContact N-O 3.03Å; H596-I629 PolarHBondContact ND1-O 2.8Å; H596-C631 PolarHBondContact ND1-SG 3.11Å; H596-C631 VanDerWaalsContact ND1-SG 3.4Å; H596-K633 PolarHBondContact O-NZ 2.84Å; H596-V761 VanDerWaalsContact NE2-CG1 3.32Å; H596-V761 WeakPolarHBondContact NE2-CG1 3.48Å
597S87Confident88.1Confident35 Ų3557.7 Ų57.725%0.24532%0.317CS..THydrogen-bonded Turntrans-59.6-34.2-178-60.40000113.2C631 V761S597-C631 PolarHBondContact OG-SG 3.28Å; S597-V761 VanDerWaalsContact CB-O 3.27Å; S597-V761 WeakPolarHBondContact CB-O 3.48Å; S597-V761 PolarHBondContact OG-O 3.14Å
598T87Confident88.1Confident71 Ų7163.5 Ų63.544%0.43634%0.337SS..THydrogen-bonded Turntrans-109.817.1-175.459.30000114.2H596 P600 V761H596-T598 VanDerWaalsContact C-N 3.26Å; H596-T598 PolarHBondContact CD2-OG1 2.78Å; H596-T598 VanDerWaalsContact CD2-OG1 3.23Å; H596-T598 PolarHBondContact O-N 2.75Å; T598-P600 WeakPolarHBondContact O-CD 3.31Å; T598-V761 HydrophobicContact CG2-CG1 4.25Å; T598-V761 HydrophobicContact CG2-CG2 4.27Å
599H88.2Confident88.4Confident25 Ų2563.1 Ų63.112%0.11632%0.321CS..  trans-60122.6174.6-176.973000110.8T595 H596 E603 D604 T616T595-H599 HydrophobicContact CG2-CB 4.34Å; H596-H599 PolarHBondContact O-N 3.11Å; H599-E603 IonicContact CE1-OE1 2.67Å; H599-E603 PolarHBondContact CE1-OE1 3.46Å; H599-E603 VanDerWaalsContact CE1-OE1 3.23Å; H599-E603 IonicContact ND1-OE1 3.56Å; H599-E603 IonicContact ND1-OE2 3.78Å; H599-D604 IonicContact NE2-OD1 2.99Å; H599-D604 IonicContact NE2-OD2 3.26Å; H599-T616 PolarHBondContact ND1-OG1 3.33Å
600P88.7Confident88.5Confident64 Ų6465 Ų6542%0.41633%0.328SS..  trans-82133.2178.728.3-25.3000111T598 E602 E603T598-P600 WeakPolarHBondContact O-CD 3.31Å; P600-E602 PolarHBondContact O-N 2.84Å; P600-E603 HydrophobicContact CG-CB 4.07Å; P600-E603 VanDerWaalsContact O-CB 3.27Å; P600-E603 WeakPolarHBondContact O-CB 3.36Å; P600-E603 PolarHBondContact O-N 3.26Å
601E82.7Confident88.4Confident157 Ų15771.6 Ų71.673%0.73436%0.362SS*.Hα-helixtrans-62-28.5-174.4-61179.6178.800113.1E603 D604 I605E601-E603 PolarHBondContact O-N 3.41Å; E601-D604 PolarHBondContact O-N 3.36Å; E601-I605 PolarHBondContact O-N 3.38Å
602E86Confident88.1Confident173 Ų17371.6 Ų71.681%0.80836%0.362SS*.Hα-helixtrans-64.9-20.3174.8-62.3175.2-166.200113.6P600 I605 G606P600-E602 PolarHBondContact O-N 2.84Å; E602-I605 VanDerWaalsContact O-CA 3.28Å; E602-I605 WeakPolarHBondContact O-CA 3.45Å; E602-I605 PolarHBondContact O-N 2.93Å; E602-G606 PolarHBondContact O-N 3.22Å
603E88.2Confident88Confident14 Ų1475.5 Ų75.57%0.06539%0.387CS..Hα-helixtrans-75.7-38.2179.7-166.6-170118.200111.6H599 P600 E601 I605 G606 K609 S612 T616H599-E603 IonicContact CE1-OE1 2.67Å; H599-E603 PolarHBondContact CE1-OE1 3.46Å; H599-E603 VanDerWaalsContact CE1-OE1 3.23Å; H599-E603 IonicContact ND1-OE1 3.56Å; H599-E603 IonicContact ND1-OE2 3.78Å; P600-E603 HydrophobicContact CG-CB 4.07Å; P600-E603 VanDerWaalsContact O-CB 3.27Å; P600-E603 WeakPolarHBondContact O-CB 3.36Å; P600-E603 PolarHBondContact O-N 3.26Å; E601-E603 PolarHBondContact O-N 3.41Å; E603-I605 PolarHBondContact O-N 3.42Å; E603-G606 PolarHBondContact O-N 3.05Å; E603-K609 VanDerWaalsContact O-CA 3.25Å; E603-K609 WeakPolarHBondContact O-CA 3.37Å; E603-K609 PolarHBondContact O-N 3.06Å; E603-S612 VanDerWaalsContact OE1-CA 3.28Å; E603-S612 WeakPolarHBondContact OE1-CA 3.43Å; E603-S612 WeakPolarHBondContact OE1-CB 3.14Å; E603-T616 PolarHBondContact OE1-OG1 3.23Å; E603-T616 PolarHBondContact OE2-OG1 3.24Å
604D83.1Confident87.8Confident12 Ų1273.6 Ų73.66%0.06439%0.389CS..Hα-helixtrans-64.3-30.6168.8-95.2-23.7000111.5H599 E601 K617 L1838 T1840H599-D604 IonicContact NE2-OD1 2.99Å; H599-D604 IonicContact NE2-OD2 3.26Å; E601-D604 PolarHBondContact O-N 3.36Å; D604-K617 IonicContact OD1-NZ 3.52Å; D604-K617 PolarHBondContact OD1-NZ 3.48Å; D604-L1838 HydrophobicContact CB-CD2 3.64Å; D604-L1838 HydrophobicContact CB-CG 3.99Å; D604-L1838 WeakPolarHBondContact OD2-CG 3.42Å; D604-T1840 WeakPolarHBondContact O-CG2 3.18Å
605I86Confident87.8Confident100 Ų10070.1 Ų70.151%0.51338%0.377SS..Hα-helixtrans-46.1-59.5162.3-23157.9000115.2E601 E602 E603 S1839 T1840E601-I605 PolarHBondContact O-N 3.38Å; E602-I605 VanDerWaalsContact O-CA 3.28Å; E602-I605 WeakPolarHBondContact O-CA 3.45Å; E602-I605 PolarHBondContact O-N 2.93Å; E603-I605 PolarHBondContact O-N 3.42Å; I605-S1839 WeakPolarHBondContact CD1-O 3.35Å; I605-T1840 HydrophobicContact CB-CG2 3.89Å; I605-T1840 HydrophobicContact CG1-CG2 3.68Å; I605-T1840 HydrophobicContact CG2-CG2 3.97Å; I605-T1840 WeakPolarHBondContact O-CG2 3.31Å
606G85.5Confident87.7Confident30 Ų3068.3 Ų68.331%0.30937%0.366SS..SBendtrans-99.9-172.3-152.500000116.2E602 E603 Y608 K609E602-G606 PolarHBondContact O-N 3.22Å; E603-G606 PolarHBondContact O-N 3.05Å; G606-Y608 PolarHBondContact O-N 3.09Å; G606-K609 WeakPolarHBondContact O-CB 3.44Å; G606-K609 PolarHBondContact O-N 3.33Å
607P87.6Confident87.8Confident121 Ų12168.3 Ų68.379%0.78637%0.366SS*.THydrogen-bonded Turntrans-65.1-24.4-177.226.8-34.9000113.2K609P607-K609 VanDerWaalsContact C-N 3.31Å; P607-K609 PolarHBondContact O-N 3.43Å
608Y87.7Confident88.1Confident146 Ų14666.7 Ų66.757%0.57335%0.354SS*.THydrogen-bonded Turntrans-87.27.8-176.3-57.5-66.1000114.6G606 W610 I611G606-Y608 PolarHBondContact O-N 3.09Å; Y608-W610 PolarHBondContact O-N 3.06Å; Y608-I611 CarbonylContact O-C 3.49Å; Y608-I611 VanDerWaalsContact O-C 3.25Å; Y608-I611 PolarHBondContact O-N 2.81Å
609K86.8Confident88.5Confident43 Ų4364.5 Ų64.519%0.18734%0.34CS..THydrogen-bonded Turntrans-44.2-31.4-178.8174.2178.6178.2170.40116.3E603 G606 P607 K617 L1838E603-K609 VanDerWaalsContact O-CA 3.25Å; E603-K609 WeakPolarHBondContact O-CA 3.37Å; E603-K609 PolarHBondContact O-N 3.06Å; G606-K609 WeakPolarHBondContact O-CB 3.44Å; G606-K609 PolarHBondContact O-N 3.33Å; P607-K609 VanDerWaalsContact C-N 3.31Å; P607-K609 PolarHBondContact O-N 3.43Å; K609-K617 WeakPolarHBondContact O-CD 3.4Å; K609-K617 WeakPolarHBondContact O-CE 3.28Å; K609-K617 PolarHBondContact O-NZ 2.92Å; K609-L1838 HydrophobicContact CD-CD2 4.31Å; K609-L1838 VanDerWaalsContact CE-CD2 3.47Å
610W87.6Confident88.8Confident155 Ų15563.5 Ų63.559%0.58734%0.335SS*.THydrogen-bonded Turntrans-111.5-9.4-179.3-58.7116.6000113.8Y608 I619Y608-W610 PolarHBondContact O-N 3.06Å; W610-I619 HydrophobicContact CE3-CD1 4.25Å
611I90.3Very high89Confident139 Ų13962.4 Ų62.471%0.71333%0.326SS*.SBendtrans-125.870.9-180-52.6179.6000107Y608 P613Y608-I611 CarbonylContact O-C 3.49Å; Y608-I611 VanDerWaalsContact O-C 3.25Å; Y608-I611 PolarHBondContact O-N 2.81Å; I611-P613 WeakPolarHBondContact O-CD 3.43Å
612S87Confident89.3Confident2 Ų257.8 Ų57.81%0.01431%0.306CS..  trans-59.9117.2-170.861.50000111.8R541 E603 G614 D615 T616 K617R541-S612 PolarHBondContact NH2-O 3.16Å; E603-S612 VanDerWaalsContact OE1-CA 3.28Å; E603-S612 WeakPolarHBondContact OE1-CA 3.43Å; E603-S612 WeakPolarHBondContact OE1-CB 3.14Å; S612-G614 VanDerWaalsContact C-N 3.34Å; S612-G614 PolarHBondContact O-N 2.99Å; S612-D615 PolarHBondContact O-N 3.35Å; S612-D615 VanDerWaalsContact O-N 3.13Å; S612-D615 VanDerWaalsContact OG-CA 3.31Å; S612-D615 WeakPolarHBondContact OG-CA 3.47Å; S612-T616 PolarHBondContact OG-N 3.35Å; S612-K617 PolarHBondContact OG-N 3.14Å
613P89.2Confident89.5Confident83 Ų8349.8 Ų49.854%0.53927%0.27SS..THydrogen-bonded Turntrans-63.4-43.7-176.923.3-32.4000110.7R541 I611 D615R541-P613 PolarHBondContact NH1-O 3.26Å; I611-P613 WeakPolarHBondContact O-CD 3.43Å; P613-D615 PolarHBondContact O-N 2.97Å
614G86.8Confident89.7Confident46 Ų4653.8 Ų53.847%0.47429%0.292SS..THydrogen-bonded Turntrans-79.37176.300000115.5S612 T616S612-G614 VanDerWaalsContact C-N 3.34Å; S612-G614 PolarHBondContact O-N 2.99Å; G614-T616 VanDerWaalsContact C-N 3.25Å; G614-T616 WeakPolarHBondContact O-CG2 3.29Å; G614-T616 PolarHBondContact O-N 2.96Å
615D92.3Very high90.3Very high9 Ų953.6 Ų53.65%0.04829%0.291CS..SBendtrans55.839.2-176.5-147.334.9000113R541 K579 S612 P613 G628 I629R541-D615 IonicContact CZ-OD1 3.94Å; R541-D615 IonicContact NE-OD1 2.84Å; R541-D615 IonicContact NE-OD2 2.78Å; R541-D615 VanDerWaalsContact NH2-CB 3.26Å; R541-D615 VanDerWaalsContact NH2-CG 3.28Å; R541-D615 IonicContact NH2-OD1 3.74Å; R541-D615 PolarHBondContact NH2-OD1 3.47Å; K579-D615 WeakPolarHBondContact CE-OD2 3.36Å; K579-D615 IonicContact NZ-OD2 2.92Å; K579-D615 PolarHBondContact NZ-OD2 2.7Å; S612-D615 PolarHBondContact O-N 3.35Å; S612-D615 VanDerWaalsContact O-N 3.13Å; S612-D615 VanDerWaalsContact OG-CA 3.31Å; S612-D615 WeakPolarHBondContact OG-CA 3.47Å; P613-D615 PolarHBondContact O-N 2.97Å; D615-G628 CarbonylContact O-C 3.6Å; D615-G628 VanDerWaalsContact O-CA 3.24Å; D615-G628 WeakPolarHBondContact O-CA 3.49Å; D615-G628 PolarHBondContact OD1-N 3.03Å; D615-I629 HydrophobicContact CB-CD1 4.21Å; D615-I629 HydrophobicContact CB-CG1 4.17Å; D615-I629 WeakPolarHBondContact O-CG1 3.4Å; D615-I629 PolarHBondContact O-N 3.05Å
616T92.7Very high90.6Very high6 Ų653.9 Ų53.94%0.03729%0.292CS..  trans-98.7-15.1-169.958.30000113.5H596 H599 E603 S612 G614H596-T616 WeakPolarHBondContact CB-O 3.15Å; H596-T616 PolarHBondContact N-O 3.03Å; H599-T616 PolarHBondContact ND1-OG1 3.33Å; E603-T616 PolarHBondContact OE1-OG1 3.23Å; E603-T616 PolarHBondContact OE2-OG1 3.24Å; S612-T616 PolarHBondContact OG-N 3.35Å; G614-T616 VanDerWaalsContact C-N 3.25Å; G614-T616 WeakPolarHBondContact O-CG2 3.29Å; G614-T616 PolarHBondContact O-N 2.96Å
617K93.3Very high91Very high4 Ų453.3 Ų53.32%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-98.1114179.7-163168.4-167.3153.50110.8D604 K609 S612 I619 S627 G628D604-K617 IonicContact OD1-NZ 3.52Å; D604-K617 PolarHBondContact OD1-NZ 3.48Å; K609-K617 WeakPolarHBondContact O-CD 3.4Å; K609-K617 WeakPolarHBondContact O-CE 3.28Å; K609-K617 PolarHBondContact O-NZ 2.92Å; S612-K617 PolarHBondContact OG-N 3.14Å; K617-I619 HydrophobicContact CG-CG1 4.46Å; K617-S627 CarbonylContact O-C 3.58Å; K617-S627 VanDerWaalsContact O-C 3.31Å; K617-S627 PolarHBondContact O-OG 3.03Å; K617-G628 VanDerWaalsContact O-CA 3.23Å; K617-G628 WeakPolarHBondContact O-CA 3.35Å; K617-G628 PolarHBondContact O-N 2.98Å
618V94.4Very high91.2Very high0 Ų047.5 Ų47.50%025%0.246CC..EExtended strand (participates in β ladder)trans-85.7119.7-178-177.70000109.4I593 R594 V620 L625 S627 L630 T634I593-V618 WeakPolarHBondContact CA-O 3.15Å; R594-V618 HydrophobicContact CB-CB 4.25Å; R594-V618 PolarHBondContact N-O 2.53Å; R594-V618 PolarHBondContact O-N 3.02Å; V618-V620 HydrophobicContact CG1-CG2 4.44Å; V618-L625 HydrophobicContact CG1-CD1 3.99Å; V618-S627 VanDerWaalsContact CA-O 3.32Å; V618-S627 WeakPolarHBondContact CA-O 3.28Å; V618-L630 HydrophobicContact CG1-CD2 3.56Å; V618-L630 HydrophobicContact CG2-CD2 4.16Å; V618-T634 HydrophobicContact CG1-CG2 4.16Å
619I94.9Very high91.6Very high26 Ų2641.5 Ų41.513%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-127.9113.3176.9-56.9177.1000107.1W610 K617 I626 S627W610-I619 HydrophobicContact CE3-CD1 4.25Å; K617-I619 HydrophobicContact CG-CG1 4.46Å; I619-I626 PolarHBondContact O-N 2.7Å; I619-S627 PolarHBondContact N-O 2.8Å; I619-S627 VanDerWaalsContact N-O 3.07Å
620V94.6Very high92Very high3 Ų339.5 Ų39.52%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-106.4126.6166.5-172.90000107.3I586 V590 N591 C592 V618 D624 L625 L642I586-V620 HydrophobicContact CD1-CG1 3.82Å; I586-V620 HydrophobicContact CD1-CG2 4.3Å; V590-V620 WeakPolarHBondContact O-CG1 3.49Å; N591-V620 WeakPolarHBondContact CA-O 2.97Å; C592-V620 HydrophobicContact CB-CB 4.08Å; C592-V620 HydrophobicContact CB-CG2 4.32Å; C592-V620 PolarHBondContact N-O 3.31Å; C592-V620 PolarHBondContact O-N 3.39Å; V618-V620 HydrophobicContact CG1-CG2 4.44Å; V620-D624 VanDerWaalsContact CA-O 3.3Å; V620-D624 WeakPolarHBondContact CA-O 3.42Å; V620-L625 HydrophobicContact CG2-CD1 3.99Å; V620-L642 HydrophobicContact CG2-CD1 4.48Å
621D91.7Very high92.3Very high42 Ų4232.1 Ų32.123%0.22519%0.187CC..EExtended strand (participates in β ladder)trans-137.9122.8-172-168.720.5000109.7N591 G623 D624 I626 K982N591-D621 WeakPolarHBondContact OD1-CA 3.25Å; N591-D621 PolarHBondContact OD1-OD1 3.4Å; D621-G623 PolarHBondContact O-N 3.16Å; D621-G623 VanDerWaalsContact O-N 3.09Å; D621-D624 PolarHBondContact N-O 3.46Å; D621-D624 PolarHBondContact O-N 3.31Å; D621-I626 HydrophobicContact CB-CD1 3.57Å; D621-I626 HydrophobicContact CB-CG1 4.24Å; D621-K982 VanDerWaalsContact OD1-CD 3.25Å; D621-K982 WeakPolarHBondContact OD1-CD 3.29Å; D621-K982 WeakPolarHBondContact OD1-CE 3.34Å; D621-K982 IonicContact OD1-NZ 3.42Å; D621-K982 PolarHBondContact OD1-NZ 2.94Å; D621-K982 IonicContact OD2-NZ 3.65Å; D621-K982 PolarHBondContact OD2-NZ 3.1Å
622D90.2Very high92.5Very high59 Ų5931 Ų3132%0.31618%0.177SC..THydrogen-bonded Turntrans46.330.3-168.6-145.145.2000114.8R589 N591R589-D622 VanDerWaalsContact CB-OD1 3.3Å; R589-D622 WeakPolarHBondContact CB-OD1 3.37Å; R589-D622 WeakPolarHBondContact CD-OD1 3.42Å; R589-D622 WeakPolarHBondContact CG-OD1 3.34Å; R589-D622 IonicContact CZ-OD1 2.84Å; R589-D622 IonicContact CZ-OD2 3.98Å; R589-D622 IonicContact NE-OD1 3.88Å; R589-D622 PolarHBondContact NE-OD1 2.9Å; R589-D622 VanDerWaalsContact NE-OD1 3.11Å; R589-D622 IonicContact NE-OD2 2.67Å; R589-D622 PolarHBondContact NE-OD2 3.08Å; R589-D622 IonicContact NH2-OD2 3.87Å; R589-D622 PolarHBondContact NH2-OD2 3.06Å; N591-D622 PolarHBondContact OD1-N 2.99Å
623G90.2Very high92.8Very high5 Ų534.9 Ų34.95%0.05219%0.194CC..THydrogen-bonded Turntrans93.4-14.9-175.300000115.6I586 V590 D621I586-G623 WeakPolarHBondContact CD1-O 3.34Å; V590-G623 PolarHBondContact O-N 3.3Å; V590-G623 VanDerWaalsContact O-N 3.15Å; D621-G623 PolarHBondContact O-N 3.16Å; D621-G623 VanDerWaalsContact O-N 3.09Å
624D92.5Very high93Very high99 Ų9931 Ų3153%0.52917%0.168SC..EExtended strand (participates in β ladder)trans-86.6132.7180-84.3-29.1000112.5S583 V620 D621 I626S583-D624 WeakPolarHBondContact CB-OD1 3.37Å; V620-D624 VanDerWaalsContact CA-O 3.3Å; V620-D624 WeakPolarHBondContact CA-O 3.42Å; D621-D624 PolarHBondContact N-O 3.46Å; D621-D624 PolarHBondContact O-N 3.31Å; D624-I626 PolarHBondContact O-N 2.97Å; D624-I626 VanDerWaalsContact O-N 3.16Å
625L94.9Very high93.4Very high8 Ų828.8 Ų28.84%0.04215%0.145CC..EExtended strand (participates in β ladder)trans-82.788.617517962.3000110.6T539 K579 F582 S583 V618 V620 L630T539-L625 HydrophobicContact CG2-CD2 4.03Å; K579-L625 HydrophobicContact CB-CD2 4.13Å; K579-L625 HydrophobicContact CB-CG 4.32Å; K579-L625 HydrophobicContact CD-CD2 4.42Å; K579-L625 HydrophobicContact CD-CG 4.28Å; K579-L625 HydrophobicContact CG-CD2 3.91Å; K579-L625 HydrophobicContact CG-CG 4.24Å; F582-L625 HydrophobicContact CB-CD2 4.47Å; F582-L625 HydrophobicContact CD1-CD2 4.18Å; S583-L625 PolarHBondContact OG-N 3.47Å; V618-L625 HydrophobicContact CG1-CD1 3.99Å; V620-L625 HydrophobicContact CG2-CD1 3.99Å; L625-L630 HydrophobicContact CD1-CD2 4.09Å; L625-L630 HydrophobicContact CD2-CD1 3.98Å; L625-L630 HydrophobicContact CD2-CD2 4.37Å; L625-L630 HydrophobicContact CD2-CG 4.04Å
626I93Very high93.3Very high106 Ų10628.5 Ų28.554%0.54415%0.145SC..EExtended strand (participates in β ladder)trans-67.5-52.1-177.7-62-176.5000111.6I619 D621 D624I619-I626 PolarHBondContact O-N 2.7Å; D621-I626 HydrophobicContact CB-CD1 3.57Å; D621-I626 HydrophobicContact CB-CG1 4.24Å; D624-I626 PolarHBondContact O-N 2.97Å; D624-I626 VanDerWaalsContact O-N 3.16Å
627S92.9Very high93.2Very high17 Ų1730.6 Ų30.612%0.11916%0.16CC..EExtended strand (participates in β ladder)trans-141.9160.5-174.972.10000112.4K617 V618 I619K617-S627 CarbonylContact O-C 3.58Å; K617-S627 VanDerWaalsContact O-C 3.31Å; K617-S627 PolarHBondContact O-OG 3.03Å; V618-S627 VanDerWaalsContact CA-O 3.32Å; V618-S627 WeakPolarHBondContact CA-O 3.28Å; I619-S627 PolarHBondContact N-O 2.8Å; I619-S627 VanDerWaalsContact N-O 3.07Å
628G93.1Very high93Very high0 Ų031.6 Ų31.60%017%0.172CC..  trans97.6146.1168.900000115.5K579 D615 K617K579-G628 VanDerWaalsContact CE-O 3.31Å; K579-G628 WeakPolarHBondContact CE-O 3.33Å; D615-G628 CarbonylContact O-C 3.6Å; D615-G628 VanDerWaalsContact O-CA 3.24Å; D615-G628 WeakPolarHBondContact O-CA 3.49Å; D615-G628 PolarHBondContact OD1-N 3.03Å; K617-G628 VanDerWaalsContact O-CA 3.23Å; K617-G628 WeakPolarHBondContact O-CA 3.35Å; K617-G628 PolarHBondContact O-N 2.98Å
629I95Very high92.9Very high20 Ų2033.2 Ų33.210%0.10319%0.185CC..  trans-88.1124.9175.4-59.7164.3000110.1N536 Q540 H596 D615N536-I629 WeakPolarHBondContact ND2-CG2 3.46Å; N536-I629 WeakPolarHBondContact O-CG2 3.48Å; Q540-I629 HydrophobicContact CG-CD1 4.16Å; Q540-I629 HydrophobicContact CG-CG1 4.29Å; Q540-I629 HydrophobicContact CG-CG2 4.37Å; H596-I629 PolarHBondContact ND1-O 2.8Å; D615-I629 HydrophobicContact CB-CD1 4.21Å; D615-I629 HydrophobicContact CB-CG1 4.17Å; D615-I629 WeakPolarHBondContact O-CG1 3.4Å; D615-I629 PolarHBondContact O-N 3.05Å
630L95.5Very high92.7Very high1 Ų132.8 Ų32.81%0.00519%0.187CC..  trans-74.9141.6178.8-60.4-170.4000111.5V535 N536 T539 F582 V618 L625 T634 L635V535-L630 HydrophobicContact CG1-CB 3.49Å; V535-L630 VanDerWaalsContact CG1-CB 3.49Å; V535-L630 HydrophobicContact CG1-CD1 3.98Å; V535-L630 HydrophobicContact CG1-CG 4.31Å; N536-L630 WeakPolarHBondContact CA-O 3.4Å; N536-L630 PolarHBondContact ND2-O 3.3Å; T539-L630 HydrophobicContact CG2-CB 4.3Å; T539-L630 HydrophobicContact CG2-CD1 4Å; T539-L630 HydrophobicContact CG2-CG 3.99Å; T539-L630 PolarHBondContact OG1-N 3.31Å; F582-L630 HydrophobicContact CD1-CD1 3.65Å; F582-L630 HydrophobicContact CD2-CD1 4.37Å; F582-L630 HydrophobicContact CE1-CD1 3.33Å; F582-L630 HydrophobicContact CE2-CD1 4.09Å; F582-L630 HydrophobicContact CG-CD1 4.18Å; F582-L630 HydrophobicContact CZ-CD1 3.58Å; V618-L630 HydrophobicContact CG1-CD2 3.56Å; V618-L630 HydrophobicContact CG2-CD2 4.16Å; L625-L630 HydrophobicContact CD1-CD2 4.09Å; L625-L630 HydrophobicContact CD2-CD1 3.98Å; L625-L630 HydrophobicContact CD2-CD2 4.37Å; L625-L630 HydrophobicContact CD2-CG 4.04Å; L630-T634 HydrophobicContact CD2-CG2 3.85Å; L630-L635 HydrophobicContact CB-CD1 4.26Å; L630-L635 HydrophobicContact CD1-CD1 3.96Å; L630-L635 HydrophobicContact CD1-CG 4.47Å
631C93.8Very high92.6Very high0 Ų032.7 Ų32.70%019%0.186CC..  trans-155.2-172177.871.50000111.1H596 S597 K633 T634 L635 A762H596-C631 PolarHBondContact ND1-SG 3.11Å; H596-C631 VanDerWaalsContact ND1-SG 3.4Å; S597-C631 PolarHBondContact OG-SG 3.28Å; C631-K633 PolarHBondContact O-N 2.92Å; C631-K633 PolarHBondContact SG-N 3.05Å; C631-T634 PolarHBondContact O-N 3.1Å; C631-L635 PolarHBondContact O-N 2.67Å; C631-A762 WeakPolarHBondContact CB-O 3.33Å
632K94.2Very high92.7Very high115 Ų11530.7 Ų30.750%0.518%0.175SC..Hα-helixtrans-49.1-33.2176.4-165.8179.7-169.5165.80114.4L532 T634 G636 A762L532-K632 HydrophobicContact CD2-CB 4.07Å; L532-K632 HydrophobicContact CD2-CG 4.48Å; K632-T634 PolarHBondContact O-N 3.26Å; K632-G636 VanDerWaalsContact O-CA 3.24Å; K632-G636 WeakPolarHBondContact O-CA 3.25Å; K632-G636 PolarHBondContact O-N 3.12Å; K632-A762 WeakPolarHBondContact CB-O 3.46Å; K632-A762 PolarHBondContact N-O 2.99Å
633K92.7Very high92.9Very high84 Ų8427.9 Ų27.937%0.36516%0.16SC..Hα-helixtrans-66.4-18.6177.5-71.9-175.1178.9176.30114.2R594 T595 H596 C631R594-K633 PolarHBondContact NH2-O 3.13Å; T595-K633 WeakPolarHBondContact O-CB 3.32Å; T595-K633 WeakPolarHBondContact O-CD 3.45Å; H596-K633 PolarHBondContact O-NZ 2.84Å; C631-K633 PolarHBondContact O-N 2.92Å; C631-K633 PolarHBondContact SG-N 3.05Å
634T94.2Very high93.1Very high0 Ų027.7 Ų27.70%016%0.158CC..Hα-helixtrans-115.9-35.3-177.4-45.20000113.5V618 L630 C631 K632 S641 L642V618-T634 HydrophobicContact CG1-CG2 4.16Å; L630-T634 HydrophobicContact CD2-CG2 3.85Å; C631-T634 PolarHBondContact O-N 3.1Å; K632-T634 PolarHBondContact O-N 3.26Å; T634-S641 WeakPolarHBondContact O-CB 3.4Å; T634-L642 HydrophobicContact CG2-CB 4.05Å; T634-L642 WeakPolarHBondContact O-CB 3.4Å; T634-L642 PolarHBondContact O-N 3.14Å
635L94.7Very high93.2Very high0 Ų023.5 Ų23.50%014%0.136CC..Hα-helixtrans-116.14-179.1-69.3176.1000114.5I527 L532 V535 F582 L630 C631 L642 I643 I662I527-L635 HydrophobicContact CB-CB 4.21Å; I527-L635 HydrophobicContact CG1-CB 4.18Å; I527-L635 PolarHBondContact N-O 2.99Å; L532-L635 HydrophobicContact CD1-CB 4.3Å; V535-L635 HydrophobicContact CB-CD1 4.31Å; V535-L635 HydrophobicContact CG1-CD1 3.61Å; V535-L635 HydrophobicContact CG2-CD1 4.15Å; F582-L635 HydrophobicContact CE2-CD1 4.28Å; F582-L635 HydrophobicContact CZ-CD1 3.87Å; F582-L635 HydrophobicContact CZ-CD2 4.26Å; L630-L635 HydrophobicContact CB-CD1 4.26Å; L630-L635 HydrophobicContact CD1-CD1 3.96Å; L630-L635 HydrophobicContact CD1-CG 4.47Å; C631-L635 PolarHBondContact O-N 2.67Å; L635-L642 HydrophobicContact CD2-CB 4.35Å; L635-L642 HydrophobicContact CD2-CD2 4.19Å; L635-I643 HydrophobicContact CD2-CG1 4.38Å; L635-I643 WeakPolarHBondContact O-CD1 3.47Å; L635-I662 HydrophobicContact CD2-CD1 4.22Å
636G91.7Very high93.2Very high4 Ų423.1 Ų23.14%0.04113%0.134CC..SBendtrans-90.9-175.8172.300000113.3K632 G638 S641K632-G636 VanDerWaalsContact O-CA 3.24Å; K632-G636 WeakPolarHBondContact O-CA 3.25Å; K632-G636 PolarHBondContact O-N 3.12Å; G636-G638 PolarHBondContact O-N 3.29Å; G636-S641 WeakPolarHBondContact O-CB 3.5Å; G636-S641 PolarHBondContact O-OG 3.35Å
637S90.2Very high93.1Very high49 Ų4919.3 Ų19.334%0.34312%0.118SC..SBendtrans-71.131.7176.645.60000114.9P523P523-S637 VanDerWaalsContact O-CA 3.26Å; P523-S637 WeakPolarHBondContact O-CA 3.49Å; P523-S637 WeakPolarHBondContact O-CB 3.46Å
638G89.4Confident93.1Very high26 Ų2620 Ų2027%0.26812%0.12SC..  trans-85.8146.7177.600000112.4G636 G640 S641G636-G638 PolarHBondContact O-N 3.29Å; G638-G640 PolarHBondContact O-N 2.81Å; G638-S641 VanDerWaalsContact O-CB 3.26Å; G638-S641 WeakPolarHBondContact O-CB 3.38Å; G638-S641 PolarHBondContact O-N 3.19Å; G638-S641 PolarHBondContact O-OG 3.44Å
639A91.2Very high92.9Very high33 Ų3321.8 Ų21.827%0.27313%0.128SC..THydrogen-bonded Turntrans-64.1134.5170.700000110.5K522 S641 F893K522-A639 HydrophobicContact CB-CB 4.16Å; A639-S641 VanDerWaalsContact C-N 3.28Å; A639-S641 PolarHBondContact O-N 2.74Å; A639-F893 HydrophobicContact CB-CD2 3.91Å; A639-F893 HydrophobicContact CB-CE2 4.12Å
640G90.6Very high92.7Very high18 Ų1822.9 Ų22.919%0.18613%0.133CC..THydrogen-bonded Turntrans66.525.5-174.100000114R594 G638 H644R594-G640 VanDerWaalsContact CD-O 3.29Å; R594-G640 WeakPolarHBondContact CD-O 3.34Å; R594-G640 PolarHBondContact NE-O 3.18Å; G638-G640 PolarHBondContact O-N 2.81Å; G640-H644 PolarHBondContact N-ND1 2.97Å
641S93.6Very high92.4Very high0 Ų027.7 Ų27.70%016%0.155CC..  trans-70.3163.3166.472.80000110.8T634 G636 G638 A639 I643 H644 I645T634-S641 WeakPolarHBondContact O-CB 3.4Å; G636-S641 WeakPolarHBondContact O-CB 3.5Å; G636-S641 PolarHBondContact O-OG 3.35Å; G638-S641 VanDerWaalsContact O-CB 3.26Å; G638-S641 WeakPolarHBondContact O-CB 3.38Å; G638-S641 PolarHBondContact O-N 3.19Å; G638-S641 PolarHBondContact O-OG 3.44Å; A639-S641 VanDerWaalsContact C-N 3.28Å; A639-S641 PolarHBondContact O-N 2.74Å; S641-I643 PolarHBondContact O-N 2.92Å; S641-H644 VanDerWaalsContact O-CB 3.3Å; S641-H644 WeakPolarHBondContact O-CB 3.45Å; S641-H644 PolarHBondContact O-N 2.91Å; S641-H644 PolarHBondContact OG-N 3.41Å; S641-I645 PolarHBondContact O-N 3.42Å; S641-I645 VanDerWaalsContact O-N 3.12Å
642L94Very high92.2Very high0 Ų029.2 Ų29.20%016%0.163CC..Hα-helixtrans-59.1-37.6177.2-176.862.2000111.2F582 I586 V590 C592 V620 T634 L635 H644 I645 V646 F658F582-L642 HydrophobicContact CE1-CD2 4.47Å; I586-L642 HydrophobicContact CD1-CD2 4.02Å; I586-L642 HydrophobicContact CG1-CD2 4.29Å; V590-L642 HydrophobicContact CG1-CD1 3.6Å; C592-L642 HydrophobicContact CB-CD1 3.98Å; V620-L642 HydrophobicContact CG2-CD1 4.48Å; T634-L642 HydrophobicContact CG2-CB 4.05Å; T634-L642 WeakPolarHBondContact O-CB 3.4Å; T634-L642 PolarHBondContact O-N 3.14Å; L635-L642 HydrophobicContact CD2-CB 4.35Å; L635-L642 HydrophobicContact CD2-CD2 4.19Å; L642-H644 VanDerWaalsContact C-N 3.32Å; L642-H644 PolarHBondContact O-N 2.86Å; L642-I645 PolarHBondContact O-N 2.93Å; L642-V646 VanDerWaalsContact O-CG2 3.29Å; L642-V646 WeakPolarHBondContact O-CG2 3.47Å; L642-V646 PolarHBondContact O-N 2.94Å; L642-F658 HydrophobicContact CD2-CZ 3.93Å; L642-F658 HydrophobicContact CG-CE1 4.5Å; L642-F658 HydrophobicContact CG-CZ 4.14Å
643I94.2Very high92.1Very high0 Ų026.1 Ų26.10%015%0.151CC..Hα-helixtrans-62.1-38.7174.2-63.9173.7000111.4V515 P523 I527 L635 S641 A647 F658 F659V515-I643 HydrophobicContact CG1-CG2 4.1Å; P523-I643 HydrophobicContact CB-CG2 4.21Å; I527-I643 HydrophobicContact CG1-CD1 4.26Å; L635-I643 HydrophobicContact CD2-CG1 4.38Å; L635-I643 WeakPolarHBondContact O-CD1 3.47Å; S641-I643 PolarHBondContact O-N 2.92Å; I643-A647 VanDerWaalsContact O-CB 3.29Å; I643-A647 WeakPolarHBondContact O-CB 3.22Å; I643-A647 PolarHBondContact O-N 2.89Å; I643-F658 HydrophobicContact CG1-CE1 4.05Å; I643-F659 HydrophobicContact CD1-CE1 3.97Å; I643-F659 HydrophobicContact CD1-CZ 3.85Å; I643-F659 HydrophobicContact CG1-CZ 4.48Å; I643-F659 HydrophobicContact CG2-CE2 3.82Å; I643-F659 HydrophobicContact CG2-CZ 3.7Å
644H94.7Very high92Very high1 Ų126.3 Ų26.31%0.00515%0.154CC..Hα-helixtrans-63.7-43.6176.8-162.7-140.8000111.7N521 P523 G640 S641 L642 A647 L648N521-H644 PolarHBondContact O-CE1 3.14Å; N521-H644 PolarHBondContact O-NE2 3.47Å; P523-H644 HydrophobicContact CG-CB 4.04Å; G640-H644 PolarHBondContact N-ND1 2.97Å; S641-H644 VanDerWaalsContact O-CB 3.3Å; S641-H644 WeakPolarHBondContact O-CB 3.45Å; S641-H644 PolarHBondContact O-N 2.91Å; S641-H644 PolarHBondContact OG-N 3.41Å; L642-H644 VanDerWaalsContact C-N 3.32Å; L642-H644 PolarHBondContact O-N 2.86Å; H644-A647 PolarHBondContact O-N 2.69Å; H644-L648 WeakPolarHBondContact O-CG 3.37Å; H644-L648 PolarHBondContact O-N 2.9Å
645I93.8Very high91.9Very high12 Ų1226.4 Ų26.46%0.06215%0.154CC..Hα-helixtrans-66.8-49.4-179.3-63.2167.9000110.2V590 C592 S641 L642 A647 L648 E649V590-I645 HydrophobicContact CG1-CG2 3.81Å; C592-I645 HydrophobicContact CB-CD1 3.77Å; S641-I645 PolarHBondContact O-N 3.42Å; S641-I645 VanDerWaalsContact O-N 3.12Å; L642-I645 PolarHBondContact O-N 2.93Å; I645-A647 VanDerWaalsContact C-N 3.26Å; I645-A647 PolarHBondContact O-N 3.09Å; I645-L648 CarbonylContact O-C 3.56Å; I645-L648 PolarHBondContact O-N 3.03Å; I645-E649 HydrophobicContact CG2-CG 4.19Å; I645-E649 WeakPolarHBondContact CG2-OE2 3.44Å; I645-E649 PolarHBondContact O-N 3.22Å
646V93.8Very high91.8Very high0 Ų026.7 Ų26.70%016%0.156CC..Hα-helixtrans-55.7-42.6176.2174.80000110.8P587 V590 L642 L648 E649 H650 V655 F658P587-V646 HydrophobicContact CG-CG1 3.72Å; P587-V646 HydrophobicContact CG-CG2 4.22Å; V590-V646 HydrophobicContact CG1-CG2 4.3Å; V590-V646 HydrophobicContact CG2-CG2 4.09Å; L642-V646 VanDerWaalsContact O-CG2 3.29Å; L642-V646 WeakPolarHBondContact O-CG2 3.47Å; L642-V646 PolarHBondContact O-N 2.94Å; V646-L648 VanDerWaalsContact C-N 3.26Å; V646-L648 PolarHBondContact O-N 3.38Å; V646-E649 PolarHBondContact O-N 3.24Å; V646-H650 HydrophobicContact CG1-CB 4.43Å; V646-H650 WeakPolarHBondContact O-CB 3.24Å; V646-H650 PolarHBondContact O-N 3.1Å; V646-V655 HydrophobicContact CG1-CG2 4.28Å; V646-F658 HydrophobicContact CB-CD1 4.36Å; V646-F658 HydrophobicContact CB-CE1 4.47Å; V646-F658 HydrophobicContact CG1-CD1 4.11Å; V646-F658 HydrophobicContact CG2-CD1 4.21Å; V646-F658 HydrophobicContact CG2-CE1 3.97Å; V646-F658 HydrophobicContact CG2-CZ 4.42Å
647A92.5Very high91.8Very high25 Ų2530.4 Ų30.421%0.20717%0.173CC..Hα-helixtrans-71.2-1317900000115.4V515 I516 I643 H644 I645 V655V515-A647 HydrophobicContact CG1-CB 4.47Å; I516-A647 HydrophobicContact CD1-CB 3.89Å; I516-A647 HydrophobicContact CG1-CB 4.14Å; I643-A647 VanDerWaalsContact O-CB 3.29Å; I643-A647 WeakPolarHBondContact O-CB 3.22Å; I643-A647 PolarHBondContact O-N 2.89Å; H644-A647 PolarHBondContact O-N 2.69Å; I645-A647 VanDerWaalsContact C-N 3.26Å; I645-A647 PolarHBondContact O-N 3.09Å; A647-V655 HydrophobicContact CB-CG1 4.3Å; A647-V655 HydrophobicContact CB-CG2 4Å
648L92.1Very high92Very high33 Ų3328.1 Ų28.117%0.17316%0.157CC..Hα-helixtrans-109.9-8.7176.9-69.3171.6000113.6I516 H644 I645 V646 E892 R1065I516-L648 HydrophobicContact CD1-CD1 4.33Å; I516-L648 HydrophobicContact CD1-CD2 3.67Å; I516-L648 HydrophobicContact CD1-CG 3.7Å; H644-L648 WeakPolarHBondContact O-CG 3.37Å; H644-L648 PolarHBondContact O-N 2.9Å; I645-L648 CarbonylContact O-C 3.56Å; I645-L648 PolarHBondContact O-N 3.03Å; V646-L648 VanDerWaalsContact C-N 3.26Å; V646-L648 PolarHBondContact O-N 3.38Å; L648-E892 HydrophobicContact CD1-CG 4.02Å; L648-E892 WeakPolarHBondContact CD1-OE1 3.43Å; L648-R1065 PolarHBondContact O-NH1 3.09Å
649E89.9Confident92.2Very high36 Ų3626.9 Ų26.917%0.16814%0.144CC..Hα-helixtrans-106.5-31.4174.7-69.1-176.915500112.8I645 V646 R975 N979I645-E649 HydrophobicContact CG2-CG 4.19Å; I645-E649 WeakPolarHBondContact CG2-OE2 3.44Å; I645-E649 PolarHBondContact O-N 3.22Å; V646-E649 PolarHBondContact O-N 3.24Å; E649-R975 WeakPolarHBondContact OE1-CD 3.44Å; E649-R975 IonicContact OE1-CZ 2.98Å; E649-R975 IonicContact OE1-NE 3.78Å; E649-R975 IonicContact OE1-NH1 3.68Å; E649-R975 PolarHBondContact OE1-NH1 3.08Å; E649-N979 PolarHBondContact OE1-ND2 3.48Å
650H89.8Confident92.2Very high43 Ų4325.9 Ų25.920%0.19913%0.134CC..SBendtrans-117.6157.5-171.9-69.8-87.9000112.7V590 V646 Q654V590-H650 WeakPolarHBondContact CG2-NE2 3.41Å; V646-H650 HydrophobicContact CG1-CB 4.43Å; V646-H650 WeakPolarHBondContact O-CB 3.24Å; V646-H650 PolarHBondContact O-N 3.1Å; H650-Q654 HydrophobicContact CB-CB 4.21Å; H650-Q654 PolarHBondContact ND1-OE1 2.94Å
651H89.9Confident92.4Very high102 Ų10225.4 Ų25.447%0.47213%0.127SC..  trans-62.5146.6176.9-168.5-112.4000111.6D653 Q654 V655H651-D653 IonicContact CE1-OD2 3.68Å; H651-D653 PolarHBondContact CE1-OD2 2.93Å; H651-D653 IonicContact ND1-OD2 2.67Å; H651-D653 PolarHBondContact ND1-OD2 2.77Å; H651-D653 PolarHBondContact O-N 3.49Å; H651-Q654 WeakPolarHBondContact O-CA 3.43Å; H651-Q654 WeakPolarHBondContact O-CB 3.19Å; H651-Q654 PolarHBondContact O-N 3.46Å; H651-V655 PolarHBondContact O-N 3.25Å
652H89.9Confident92.4Very high33 Ų3325.4 Ų25.415%0.15313%0.127CC..Hα-helixtrans-57.5-28.5-17462.373.2000114R510 S512 R513 V655 N656R510-H652 PolarHBondContact NH1-CE1 2.74Å; S512-H652 WeakPolarHBondContact CB-O 3.05Å; S512-H652 PolarHBondContact OG-ND1 3.01Å; S512-H652 VanDerWaalsContact OG-ND1 3.09Å; R513-H652 HydrophobicContact CG-CB 4.13Å; R513-H652 PolarHBondContact NH2-NE2 3.43Å; H652-V655 WeakPolarHBondContact O-CB 3.26Å; H652-V655 PolarHBondContact O-N 3.46Å; H652-N656 PolarHBondContact O-N 3.37Å
653D90.5Very high92.4Very high49 Ų4925.5 Ų25.526%0.26213%0.128SC..Hα-helixtrans-69.9-31.3174.5-64.8-61.3000112.9R510 H651 V655 N656 M657R510-D653 IonicContact CZ-OD1 3.72Å; R510-D653 VanDerWaalsContact CZ-OD1 3.23Å; R510-D653 IonicContact NH1-OD1 2.7Å; R510-D653 PolarHBondContact NH1-OD1 3.17Å; R510-D653 IonicContact NH1-OD2 2.89Å; R510-D653 IonicContact NH2-OD1 2.81Å; R510-D653 PolarHBondContact NH2-OD1 3.31Å; H651-D653 IonicContact CE1-OD2 3.68Å; H651-D653 PolarHBondContact CE1-OD2 2.93Å; H651-D653 IonicContact ND1-OD2 2.67Å; H651-D653 PolarHBondContact ND1-OD2 2.77Å; H651-D653 PolarHBondContact O-N 3.49Å; D653-V655 VanDerWaalsContact C-N 3.33Å; D653-N656 WeakPolarHBondContact O-CB 3.38Å; D653-N656 PolarHBondContact O-N 2.88Å; D653-M657 WeakPolarHBondContact O-CG 3.31Å; D653-M657 PolarHBondContact O-N 3.28Å
654Q91.8Very high92.3Very high89 Ų8926.8 Ų26.842%0.41614%0.136SC..Hα-helixtrans-70.2-32.6171.7-64.7-178.5-4.600111.1H650 H651 M657 F658H650-Q654 HydrophobicContact CB-CB 4.21Å; H650-Q654 PolarHBondContact ND1-OE1 2.94Å; H651-Q654 WeakPolarHBondContact O-CA 3.43Å; H651-Q654 WeakPolarHBondContact O-CB 3.19Å; H651-Q654 PolarHBondContact O-N 3.46Å; Q654-M657 PolarHBondContact O-N 3.35Å; Q654-F658 WeakPolarHBondContact O-CB 3.27Å; Q654-F658 PolarHBondContact O-N 3.23Å
655V92.5Very high92.2Very high2 Ų226.8 Ų26.81%0.01214%0.136CC..Hα-helixtrans-62.4-45.2171.2-170.90000110.7V515 V646 A647 H651 H652 D653 F658 F659V515-V655 HydrophobicContact CG1-CG1 4.45Å; V515-V655 HydrophobicContact CG2-CG1 4.13Å; V646-V655 HydrophobicContact CG1-CG2 4.28Å; A647-V655 HydrophobicContact CB-CG1 4.3Å; A647-V655 HydrophobicContact CB-CG2 4Å; H651-V655 PolarHBondContact O-N 3.25Å; H652-V655 WeakPolarHBondContact O-CB 3.26Å; H652-V655 PolarHBondContact O-N 3.46Å; D653-V655 VanDerWaalsContact C-N 3.33Å; V655-F658 WeakPolarHBondContact O-CB 3.48Å; V655-F658 PolarHBondContact O-N 3.36Å; V655-F659 HydrophobicContact CG1-CD2 4.09Å; V655-F659 HydrophobicContact CG1-CE2 3.98Å; V655-F659 WeakPolarHBondContact O-CD2 3.23Å; V655-F659 PolarHBondContact O-N 3.49Å; V655-F659 VanDerWaalsContact O-N 3.1Å
656N91.9Very high92.3Very high6 Ų626.2 Ų26.23%0.03213%0.133CC..Hα-helixtrans-56.5-52.1174.3-179.210.2000110.8L366 D367 H652 D653 F658 F659 N660L366-N656 WeakPolarHBondContact CB-OD1 3.48Å; L366-N656 PolarHBondContact N-OD1 3.16Å; D367-N656 PolarHBondContact OD1-ND2 3.28Å; H652-N656 PolarHBondContact O-N 3.37Å; D653-N656 WeakPolarHBondContact O-CB 3.38Å; D653-N656 PolarHBondContact O-N 2.88Å; N656-F658 VanDerWaalsContact C-N 3.3Å; N656-F658 PolarHBondContact O-N 3.43Å; N656-F659 PolarHBondContact O-N 3.45Å; N656-N660 PolarHBondContact O-N 3.06Å; N656-N660 VanDerWaalsContact O-N 3.13Å; N656-N660 PolarHBondContact O-ND2 2.76Å; N656-N660 PolarHBondContact O-OD1 2.93Å; N656-N660 PolarHBondContact OD1-ND2 2.86Å
657M91.5Very high92.3Very high81 Ų8127.5 Ų27.540%0.39914%0.14SC..Hα-helixtrans-59.5-38176.7-64.9-173.787.200112.8T559 D653 Q654 N660 N661T559-M657 HydrophobicContact CG2-CE 3.49Å; T559-M657 VanDerWaalsContact CG2-CE 3.49Å; T559-M657 HydrophobicContact CG2-SD 4.3Å; D653-M657 WeakPolarHBondContact O-CG 3.31Å; D653-M657 PolarHBondContact O-N 3.28Å; Q654-M657 PolarHBondContact O-N 3.35Å; M657-N660 PolarHBondContact O-N 3Å; M657-N661 VanDerWaalsContact O-CB 3.3Å; M657-N661 WeakPolarHBondContact O-CB 3.38Å; M657-N661 PolarHBondContact O-N 3.11Å; M657-N661 PolarHBondContact O-OD1 3.11Å
658F94Very high92.4Very high2 Ų227.6 Ų27.61%0.00914%0.137CC..Hα-helixtrans-61.5-46.5177.4-179.7-130.4000112.6V585 I586 P587 L642 I643 V646 Q654 V655 N656 N660 I662V585-F658 HydrophobicContact CG1-CD2 4.16Å; V585-F658 HydrophobicContact CG1-CE2 4.18Å; V585-F658 WeakPolarHBondContact O-CD2 3.4Å; I586-F658 HydrophobicContact CG1-CE2 4.23Å; P587-F658 HydrophobicContact CG-CB 4.36Å; P587-F658 HydrophobicContact CG-CD2 4.39Å; P587-F658 HydrophobicContact CG-CG 4.4Å; L642-F658 HydrophobicContact CD2-CZ 3.93Å; L642-F658 HydrophobicContact CG-CE1 4.5Å; L642-F658 HydrophobicContact CG-CZ 4.14Å; I643-F658 HydrophobicContact CG1-CE1 4.05Å; V646-F658 HydrophobicContact CB-CD1 4.36Å; V646-F658 HydrophobicContact CB-CE1 4.47Å; V646-F658 HydrophobicContact CG1-CD1 4.11Å; V646-F658 HydrophobicContact CG2-CD1 4.21Å; V646-F658 HydrophobicContact CG2-CE1 3.97Å; V646-F658 HydrophobicContact CG2-CZ 4.42Å; Q654-F658 WeakPolarHBondContact O-CB 3.27Å; Q654-F658 PolarHBondContact O-N 3.23Å; V655-F658 WeakPolarHBondContact O-CB 3.48Å; V655-F658 PolarHBondContact O-N 3.36Å; N656-F658 VanDerWaalsContact C-N 3.3Å; N656-F658 PolarHBondContact O-N 3.43Å; F658-N660 VanDerWaalsContact C-N 3.32Å; F658-N660 PolarHBondContact O-N 3.23Å; F658-I662 HydrophobicContact CD1-CD1 4.27Å; F658-I662 HydrophobicContact CD2-CD1 4.03Å; F658-I662 HydrophobicContact CD2-CG1 4.25Å; F658-I662 HydrophobicContact CE1-CD1 3.95Å; F658-I662 HydrophobicContact CE2-CD1 3.69Å; F658-I662 HydrophobicContact CE2-CG1 4.08Å; F658-I662 HydrophobicContact CG-CD1 4.33Å; F658-I662 HydrophobicContact CZ-CD1 3.66Å; F658-I662 VanDerWaalsContact O-CG1 3.31Å; F658-I662 WeakPolarHBondContact O-CG1 3.22Å; F658-I662 PolarHBondContact O-N 3.07Å
659F93.9Very high92.6Very high0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-57.9-45.2173.5-88-82.3000111.9L366 S477 V515 M525 I527 I643 V655 N656 Q663L366-F659 HydrophobicContact CB-CB 4.33Å; L366-F659 HydrophobicContact CD1-CB 4.29Å; L366-F659 HydrophobicContact CD1-CD1 4.18Å; L366-F659 HydrophobicContact CD1-CD2 4.47Å; L366-F659 HydrophobicContact CD1-CG 4.08Å; L366-F659 HydrophobicContact CD2-CB 4.33Å; L366-F659 HydrophobicContact CD2-CD2 3.67Å; L366-F659 HydrophobicContact CD2-CE2 4.11Å; L366-F659 HydrophobicContact CD2-CG 4.04Å; S477-F659 WeakPolarHBondContact OG-CD1 3.23Å; V515-F659 HydrophobicContact CG1-CE2 4.26Å; V515-F659 HydrophobicContact CG2-CE2 4.36Å; M525-F659 HydrophobicContact CB-CE1 4.34Å; M525-F659 HydrophobicContact CB-CZ 3.86Å; I527-F659 HydrophobicContact CD1-CD1 3.85Å; I527-F659 HydrophobicContact CD1-CE1 4.23Å; I643-F659 HydrophobicContact CD1-CE1 3.97Å; I643-F659 HydrophobicContact CD1-CZ 3.85Å; I643-F659 HydrophobicContact CG1-CZ 4.48Å; I643-F659 HydrophobicContact CG2-CE2 3.82Å; I643-F659 HydrophobicContact CG2-CZ 3.7Å; V655-F659 HydrophobicContact CG1-CD2 4.09Å; V655-F659 HydrophobicContact CG1-CE2 3.98Å; V655-F659 WeakPolarHBondContact O-CD2 3.23Å; V655-F659 PolarHBondContact O-N 3.49Å; V655-F659 VanDerWaalsContact O-N 3.1Å; N656-F659 PolarHBondContact O-N 3.45Å; F659-Q663 WeakPolarHBondContact O-CG 3.48Å; F659-Q663 PolarHBondContact O-N 2.84Å; F659-Q663 VanDerWaalsContact O-N 3.15Å
660N92.5Very high92.8Very high12 Ų1226 Ų266%0.06413%0.129CC..Hα-helixtrans-66.4-48.4-177.5-53.5-23.6000110.7N365 L366 N656 M657 F658 I662 Q663 T664N365-N660 VanDerWaalsContact CA-OD1 3.32Å; N365-N660 WeakPolarHBondContact CA-OD1 3.45Å; N365-N660 WeakPolarHBondContact CB-ND2 3.29Å; N365-N660 VanDerWaalsContact CG-ND2 3.32Å; N365-N660 PolarHBondContact OD1-ND2 2.81Å; L366-N660 PolarHBondContact N-OD1 2.94Å; N656-N660 PolarHBondContact O-N 3.06Å; N656-N660 VanDerWaalsContact O-N 3.13Å; N656-N660 PolarHBondContact O-ND2 2.76Å; N656-N660 PolarHBondContact O-OD1 2.93Å; N656-N660 PolarHBondContact OD1-ND2 2.86Å; M657-N660 PolarHBondContact O-N 3Å; F658-N660 VanDerWaalsContact C-N 3.32Å; F658-N660 PolarHBondContact O-N 3.23Å; N660-I662 VanDerWaalsContact C-N 3.35Å; N660-I662 PolarHBondContact O-N 3.42Å; N660-Q663 PolarHBondContact O-N 3.2Å; N660-Q663 VanDerWaalsContact O-N 3.12Å; N660-T664 WeakPolarHBondContact O-CG2 3.36Å; N660-T664 PolarHBondContact O-N 2.86Å; N660-T664 PolarHBondContact O-OG1 3.15Å
661N93.1Very high93.1Very high7 Ų730.8 Ų30.84%0.03716%0.155CC..Hα-helixtrans-60.5-39.7179.4-69.2-4.2000112.5P558 T559 V585 M657 T664 V665P558-N661 WeakPolarHBondContact CD-OD1 3.27Å; T559-N661 PolarHBondContact OG1-ND2 3.41Å; V585-N661 HydrophobicContact CG1-CB 3.79Å; M657-N661 VanDerWaalsContact O-CB 3.3Å; M657-N661 WeakPolarHBondContact O-CB 3.38Å; M657-N661 PolarHBondContact O-N 3.11Å; M657-N661 PolarHBondContact O-OD1 3.11Å; N661-T664 PolarHBondContact O-OG1 3.43Å; N661-V665 WeakPolarHBondContact O-CB 3.24Å; N661-V665 WeakPolarHBondContact O-CG2 3.39Å; N661-V665 PolarHBondContact O-N 2.87Å
662I94.4Very high93.2Very high0 Ų030.2 Ų30.20%016%0.155CC..Hα-helixtrans-60.5-52.2173.3-67.7167.4000109.3I527 T531 V535 F582 V585 L635 F658 N660 V666I527-I662 HydrophobicContact CD1-CB 4.07Å; I527-I662 HydrophobicContact CD1-CD1 3.96Å; I527-I662 HydrophobicContact CD1-CG2 3.75Å; I527-I662 HydrophobicContact CG1-CD1 4.05Å; I527-I662 HydrophobicContact CG1-CG2 4.04Å; I527-I662 HydrophobicContact CG2-CG2 4.46Å; T531-I662 HydrophobicContact CG2-CG2 3.89Å; V535-I662 HydrophobicContact CG2-CG2 4.14Å; F582-I662 HydrophobicContact CE2-CG1 4.17Å; F582-I662 HydrophobicContact CE2-CG2 4.39Å; F582-I662 HydrophobicContact CZ-CD1 4.24Å; F582-I662 HydrophobicContact CZ-CG1 4.15Å; V585-I662 HydrophobicContact CG1-CB 4.3Å; V585-I662 HydrophobicContact CG1-CG1 3.46Å; V585-I662 VanDerWaalsContact CG1-CG1 3.46Å; L635-I662 HydrophobicContact CD2-CD1 4.22Å; F658-I662 HydrophobicContact CD1-CD1 4.27Å; F658-I662 HydrophobicContact CD2-CD1 4.03Å; F658-I662 HydrophobicContact CD2-CG1 4.25Å; F658-I662 HydrophobicContact CE1-CD1 3.95Å; F658-I662 HydrophobicContact CE2-CD1 3.69Å; F658-I662 HydrophobicContact CE2-CG1 4.08Å; F658-I662 HydrophobicContact CG-CD1 4.33Å; F658-I662 HydrophobicContact CZ-CD1 3.66Å; F658-I662 VanDerWaalsContact O-CG1 3.31Å; F658-I662 WeakPolarHBondContact O-CG1 3.22Å; F658-I662 PolarHBondContact O-N 3.07Å; N660-I662 VanDerWaalsContact C-N 3.35Å; N660-I662 PolarHBondContact O-N 3.42Å; I662-V666 HydrophobicContact CG2-CG2 4.14Å; I662-V666 WeakPolarHBondContact O-CB 3.49Å; I662-V666 WeakPolarHBondContact O-CG2 3.48Å; I662-V666 PolarHBondContact O-N 2.82Å
663Q93.9Very high93.3Very high2 Ų233.2 Ų33.21%0.00917%0.169CC..Hα-helixtrans-66.2-44.1-175-70.9178.78.700112.4N475 S477 T531 F659 N660 N667N475-Q663 VanDerWaalsContact CG-OE1 3.31Å; N475-Q663 PolarHBondContact ND2-OE1 3.03Å; N475-Q663 PolarHBondContact OD1-NE2 3.04Å; N475-Q663 PolarHBondContact OD1-OE1 3.18Å; S477-Q663 PolarHBondContact OG-NE2 2.56Å; T531-Q663 HydrophobicContact CG2-CG 4.12Å; F659-Q663 WeakPolarHBondContact O-CG 3.48Å; F659-Q663 PolarHBondContact O-N 2.84Å; F659-Q663 VanDerWaalsContact O-N 3.15Å; N660-Q663 PolarHBondContact O-N 3.2Å; N660-Q663 VanDerWaalsContact O-N 3.12Å; Q663-N667 WeakPolarHBondContact O-CB 3.37Å; Q663-N667 PolarHBondContact O-N 2.75Å; Q663-N667 PolarHBondContact O-ND2 3.24Å
664T91.9Very high93.4Very high28 Ų2832.4 Ų32.417%0.17217%0.172CC..Hα-helixtrans-63.9-50.8179.957.80000111.2Y556 N660 N661 N668Y556-T664 WeakPolarHBondContact O-CB 3.41Å; Y556-T664 PolarHBondContact O-OG1 2.94Å; N660-T664 WeakPolarHBondContact O-CG2 3.36Å; N660-T664 PolarHBondContact O-N 2.86Å; N660-T664 PolarHBondContact O-OG1 3.15Å; N661-T664 PolarHBondContact O-OG1 3.43Å; T664-N668 WeakPolarHBondContact O-CB 3.25Å; T664-N668 PolarHBondContact O-N 3.5Å; T664-N668 PolarHBondContact O-ND2 2.67Å
665V93.6Very high93.5Very high1 Ų131 Ų311%0.00617%0.166CC..Hα-helixtrans-68.2-46.3-177.51760000111.4L553 L557 L581 N661 W669L553-V665 HydrophobicContact CB-CG1 4.48Å; L557-V665 HydrophobicContact CB-CG2 3.94Å; L557-V665 HydrophobicContact CD1-CG2 3.97Å; L557-V665 HydrophobicContact CG-CG2 4.43Å; L581-V665 HydrophobicContact CD1-CG1 4.12Å; L581-V665 HydrophobicContact CD2-CG1 3.79Å; L581-V665 HydrophobicContact CG-CG1 3.96Å; N661-V665 WeakPolarHBondContact O-CB 3.24Å; N661-V665 WeakPolarHBondContact O-CG2 3.39Å; N661-V665 PolarHBondContact O-N 2.87Å; V665-W669 WeakPolarHBondContact O-CB 3.31Å; V665-W669 PolarHBondContact O-N 3.4Å
666V94.9Very high93.5Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-73.8-38.1-174.3176.40000112T531 A534 V535 M538 I662 N668 W669 L670T531-V666 HydrophobicContact CG2-CB 4.05Å; T531-V666 HydrophobicContact CG2-CG1 4.05Å; A534-V666 HydrophobicContact CB-CG1 3.34Å; V535-V666 HydrophobicContact CG2-CB 4.31Å; V535-V666 HydrophobicContact CG2-CG1 3.9Å; V535-V666 HydrophobicContact CG2-CG2 3.66Å; M538-V666 HydrophobicContact CE-CG2 3.98Å; M538-V666 HydrophobicContact SD-CG2 4.28Å; I662-V666 HydrophobicContact CG2-CG2 4.14Å; I662-V666 WeakPolarHBondContact O-CB 3.49Å; I662-V666 WeakPolarHBondContact O-CG2 3.48Å; I662-V666 PolarHBondContact O-N 2.82Å; V666-N668 VanDerWaalsContact C-N 3.34Å; V666-W669 PolarHBondContact O-N 3.1Å; V666-L670 WeakPolarHBondContact O-CB 3.32Å; V666-L670 PolarHBondContact O-N 3.42Å
667N94.7Very high93.5Very high27 Ų2739.3 Ų39.314%0.14421%0.213CC..Hα-helixtrans-69.5-36178-63-24000110.7P362 T531 Q663 L670 L671P362-N667 WeakPolarHBondContact CB-ND2 3.47Å; T531-N667 WeakPolarHBondContact CB-OD1 3.44Å; T531-N667 PolarHBondContact OG1-ND2 2.94Å; T531-N667 PolarHBondContact OG1-OD1 3.18Å; Q663-N667 WeakPolarHBondContact O-CB 3.37Å; Q663-N667 PolarHBondContact O-N 2.75Å; Q663-N667 PolarHBondContact O-ND2 3.24Å; N667-L670 PolarHBondContact O-N 2.96Å; N667-L671 WeakPolarHBondContact O-CG 3.2Å; N667-L671 PolarHBondContact O-N 3.46Å
668N94.2Very high93.5Very high26 Ų2637 Ų3714%0.13921%0.21CC..Hα-helixtrans-68.9-31.9172.1-76.9-68.4000112.9L553 Y556 T664 V666 L671L553-N668 HydrophobicContact CD2-CB 4.18Å; Y556-N668 VanDerWaalsContact CD1-ND2 3.26Å; Y556-N668 WeakPolarHBondContact CD1-ND2 3.49Å; Y556-N668 HydrophobicContact CD2-CB 3.88Å; Y556-N668 WeakPolarHBondContact CE1-ND2 3.38Å; Y556-N668 HydrophobicContact CE2-CB 3.92Å; Y556-N668 HydrophobicContact CG-CB 4.28Å; T664-N668 WeakPolarHBondContact O-CB 3.25Å; T664-N668 PolarHBondContact O-N 3.5Å; T664-N668 PolarHBondContact O-ND2 2.67Å; V666-N668 VanDerWaalsContact C-N 3.34Å; N668-L671 PolarHBondContact O-N 3.4Å
669W95.4Very high93.4Very high7 Ų742.8 Ų42.83%0.02724%0.239CC..Hα-helixtrans-67.4-39.9168.9178.478.8000112A534 K537 M538 V543 L553 V665 V666 L671 I672 E673A534-W669 HydrophobicContact CB-CE3 4.39Å; A534-W669 HydrophobicContact CB-CZ3 4.32Å; A534-W669 VanDerWaalsContact O-CZ3 3.29Å; A534-W669 WeakPolarHBondContact O-CZ3 3.1Å; K537-W669 HydrophobicContact CB-CH2 3.66Å; K537-W669 HydrophobicContact CB-CZ3 3.94Å; M538-W669 VanDerWaalsContact CA-CH2 3.49Å; M538-W669 HydrophobicContact CB-CD2 4.01Å; M538-W669 HydrophobicContact CB-CE3 3.74Å; M538-W669 HydrophobicContact CB-CH2 3.75Å; M538-W669 HydrophobicContact CB-CZ2 4.04Å; M538-W669 HydrophobicContact CB-CZ3 3.61Å; M538-W669 HydrophobicContact CG-CD2 3.75Å; M538-W669 HydrophobicContact CG-CE3 4Å; M538-W669 HydrophobicContact CG-CG 4.23Å; M538-W669 HydrophobicContact CG-CH2 4.33Å; M538-W669 HydrophobicContact CG-CZ2 4.12Å; M538-W669 HydrophobicContact CG-CZ3 4.29Å; M538-W669 VanDerWaalsContact N-CH2 3.35Å; M538-W669 HydrophobicContact SD-CB 4.22Å; M538-W669 HydrophobicContact SD-CD2 3.95Å; M538-W669 HydrophobicContact SD-CE3 4.24Å; M538-W669 HydrophobicContact SD-CG 3.93Å; V543-W669 HydrophobicContact CG1-CZ2 3.87Å; L553-W669 HydrophobicContact CD1-CB 4.24Å; L553-W669 HydrophobicContact CD1-CG 4.42Å; L553-W669 HydrophobicContact CD2-CB 3.84Å; V665-W669 WeakPolarHBondContact O-CB 3.31Å; V665-W669 PolarHBondContact O-N 3.4Å; V666-W669 PolarHBondContact O-N 3.1Å; W669-L671 VanDerWaalsContact C-N 3.25Å; W669-L671 PolarHBondContact O-N 3.4Å; W669-I672 WeakPolarHBondContact O-CB 3Å; W669-I672 PolarHBondContact O-N 3.32Å; W669-E673 HydrophobicContact CD2-CB 4.37Å; W669-E673 HydrophobicContact CE3-CB 4.4Å; W669-E673 HydrophobicContact CH2-CB 3.96Å; W669-E673 HydrophobicContact CH2-CG 3.57Å; W669-E673 HydrophobicContact CZ2-CB 3.9Å; W669-E673 HydrophobicContact CZ2-CG 3.85Å; W669-E673 HydrophobicContact CZ3-CB 4.19Å; W669-E673 HydrophobicContact CZ3-CG 4.03Å; W669-E673 PolarHBondContact O-N 2.68Å
670L95.2Very high93.2Very high29 Ų2946 Ų4615%0.15227%0.266CS..Hα-helixtrans-63.3-29.7176.1-175.363.3000112.6D530 A534 V666 N667 I672 G674 H675D530-L670 HydrophobicContact CB-CD2 3.96Å; A534-L670 HydrophobicContact CB-CB 3.94Å; A534-L670 HydrophobicContact CB-CD1 3.93Å; A534-L670 HydrophobicContact CB-CD2 4.04Å; A534-L670 HydrophobicContact CB-CG 4.18Å; V666-L670 WeakPolarHBondContact O-CB 3.32Å; V666-L670 PolarHBondContact O-N 3.42Å; N667-L670 PolarHBondContact O-N 2.96Å; L670-I672 PolarHBondContact O-N 3.19Å; L670-G674 WeakPolarHBondContact O-CA 3.42Å; L670-G674 PolarHBondContact O-N 2.97Å; L670-H675 HydrophobicContact CD1-CB 3.92Å
671L94.7Very high93Very high144 Ų14446.2 Ų46.275%0.75427%0.267SS*.Hα-helixtrans-66-24.3172-70174.5000113.2N667 N668 W669N667-L671 WeakPolarHBondContact O-CG 3.2Å; N667-L671 PolarHBondContact O-N 3.46Å; N668-L671 PolarHBondContact O-N 3.4Å; W669-L671 VanDerWaalsContact C-N 3.25Å; W669-L671 PolarHBondContact O-N 3.4Å
672I93.1Very high92.8Very high90 Ų9046.6 Ų46.646%0.46227%0.27SS..Hα-helixtrans-85.1-47.1175.8-57.5169.3000110.3L553 W669 L670L553-I672 HydrophobicContact CD2-CD1 4.37Å; W669-I672 WeakPolarHBondContact O-CB 3Å; W669-I672 PolarHBondContact O-N 3.32Å; L670-I672 PolarHBondContact O-N 3.19Å
673E91.6Very high92.4Very high95 Ų9551.7 Ų51.744%0.44430%0.296SS..Hα-helixtrans-79.7-37.1-173.6169.365.5-160.600113.6K537 W669K537-E673 WeakPolarHBondContact CE-OE1 3.28Å; K537-E673 VanDerWaalsContact NZ-CG 3.27Å; K537-E673 IonicContact NZ-OE1 2.67Å; K537-E673 PolarHBondContact NZ-OE1 2.87Å; W669-E673 HydrophobicContact CD2-CB 4.37Å; W669-E673 HydrophobicContact CE3-CB 4.4Å; W669-E673 HydrophobicContact CH2-CB 3.96Å; W669-E673 HydrophobicContact CH2-CG 3.57Å; W669-E673 HydrophobicContact CZ2-CB 3.9Å; W669-E673 HydrophobicContact CZ2-CG 3.85Å; W669-E673 HydrophobicContact CZ3-CB 4.19Å; W669-E673 HydrophobicContact CZ3-CG 4.03Å; W669-E673 PolarHBondContact O-N 2.68Å
674G92.9Very high91.7Very high33 Ų3354.4 Ų54.434%0.3431%0.307SS..  trans72.5157.4-173.700000115.3K537 L670K537-G674 PolarHBondContact NZ-O 3.43Å; L670-G674 WeakPolarHBondContact O-CA 3.42Å; L670-G674 PolarHBondContact O-N 2.97Å
675H93.7Very high91.2Very high60 Ų6056.6 Ų56.628%0.27832%0.318SS..  trans-153.4146.4165.4-176.658000109.3L670 N755 M759L670-H675 HydrophobicContact CD1-CB 3.92Å; H675-N755 PolarHBondContact CE1-OD1 3.04Å; H675-N755 PolarHBondContact ND1-OD1 2.95Å; H675-N755 VanDerWaalsContact ND1-OD1 3.15Å; H675-M759 WeakPolarHBondContact NE2-CG 3.32Å
676T93.2Very high90.8Very high97 Ų9762 Ų6260%0.59534%0.343SS*.  trans-152.1168.2-178.5-173.10000108.4N755T676-N755 WeakPolarHBondContact O-CB 3.49Å; T676-N755 PolarHBondContact O-ND2 3.09Å; T676-N755 PolarHBondContact O-OD1 3.36Å
677I91.7Very high90.5Very high85 Ų8565 Ų6544%0.43637%0.368SS..  trans-136.9133.3166.1-174.3172.1000107.8D681 F756 M759I677-D681 HydrophobicContact CG1-CB 4.25Å; I677-F756 HydrophobicContact CD1-CB 3.76Å; I677-F756 HydrophobicContact CD1-CD2 3.81Å; I677-F756 HydrophobicContact CD1-CG 3.93Å; I677-F756 HydrophobicContact CG1-CB 4.47Å; I677-M759 HydrophobicContact CD1-SD 4.26Å
678G91.1Very high90.2Very high33 Ų3364.2 Ų64.234%0.3436%0.364SS..  trans-131.7174179.900000112.9A680 D681G678-A680 PolarHBondContact O-N 2.79Å; G678-A680 VanDerWaalsContact O-N 3.16Å; G678-D681 PolarHBondContact N-OD2 2.95Å; G678-D681 WeakPolarHBondContact O-CB 3.34Å; G678-D681 PolarHBondContact O-N 2.88Å
679I91.1Very high89.8Confident122 Ų12269.7 Ų69.763%0.62638%0.383SS*.G310 helixtrans-56.2-31.9173.8-166.166.9000111.8D681 T682 L683 L818I679-D681 VanDerWaalsContact C-N 3.26Å; I679-D681 PolarHBondContact O-N 2.82Å; I679-T682 PolarHBondContact O-N 3.08Å; I679-T682 PolarHBondContact O-OG1 3.33Å; I679-L683 PolarHBondContact O-N 2.87Å; I679-L818 HydrophobicContact CD1-CD1 3.65Å; I679-L818 HydrophobicContact CG1-CD1 4.23Å
680A89.8Confident89.6Confident68 Ų6878 Ų7856%0.56241%0.414SS*.G310 helixtrans-59.7-31.3175.700000113.6G678 T682 L683G678-A680 PolarHBondContact O-N 2.79Å; G678-A680 VanDerWaalsContact O-N 3.16Å; A680-T682 PolarHBondContact O-N 3.1Å; A680-L683 PolarHBondContact O-N 2.77Å
681D89.3Confident89.4Confident17 Ų1781.7 Ų81.79%0.09143%0.431CS..G310 helixtrans-71.7-10.5175.8-64.2-73000112.9I677 G678 I679 N754 N755 F756I677-D681 HydrophobicContact CG1-CB 4.25Å; G678-D681 PolarHBondContact N-OD2 2.95Å; G678-D681 WeakPolarHBondContact O-CB 3.34Å; G678-D681 PolarHBondContact O-N 2.88Å; I679-D681 VanDerWaalsContact C-N 3.26Å; I679-D681 PolarHBondContact O-N 2.82Å; D681-N754 WeakPolarHBondContact CA-ND2 3.28Å; D681-N754 PolarHBondContact O-ND2 3.29Å; D681-N755 WeakPolarHBondContact OD1-CB 3.43Å; D681-N755 PolarHBondContact OD1-N 3.14Å; D681-N755 PolarHBondContact OD1-ND2 2.93Å; D681-N755 PolarHBondContact OD2-ND2 3.35Å; D681-F756 HydrophobicContact CB-CB 4.23Å
682T88.6Confident89.2Confident15 Ų1575.1 Ų75.19%0.09240%0.396CS..G310 helixtrans-100.1-12.6175.872.60000113.1I679 A680 V774 L818I679-T682 PolarHBondContact O-N 3.08Å; I679-T682 PolarHBondContact O-OG1 3.33Å; A680-T682 PolarHBondContact O-N 3.1Å; T682-V774 HydrophobicContact CG2-CG1 3.54Å; T682-L818 VanDerWaalsContact O-CD2 3.32Å; T682-L818 WeakPolarHBondContact O-CD2 3.47Å
683L85.4Confident89Confident106 Ų10674 Ų7456%0.55540%0.396SS*.  trans-72.5145.5178.4-62.3179.4000111I679 A680 L818I679-L683 PolarHBondContact O-N 2.87Å; A680-L683 PolarHBondContact O-N 2.77Å; L683-L818 HydrophobicContact CD2-CD1 4.42Å; L683-L818 HydrophobicContact CD2-CD2 4.14Å
684Y79Confident89.1Confident59 Ų5970.9 Ų70.923%0.23139%0.39CS..  trans-134.3158.1-179.956.1-81.3000110.1T688 R689 I692 I775 L818Y684-T688 HydrophobicContact CD2-CG2 4Å; Y684-T688 HydrophobicContact CG-CG2 4.47Å; Y684-R689 HydrophobicContact CD2-CB 4.01Å; Y684-R689 HydrophobicContact CE2-CB 3.48Å; Y684-R689 VanDerWaalsContact CE2-CB 3.48Å; Y684-R689 HydrophobicContact CE2-CG 3.76Å; Y684-I692 HydrophobicContact CD2-CD1 4.46Å; Y684-I692 HydrophobicContact CE2-CD1 4.35Å; Y684-I775 HydrophobicContact CD1-CG2 3.42Å; Y684-I775 VanDerWaalsContact CD1-CG2 3.42Å; Y684-I775 HydrophobicContact CE1-CG2 4Å; Y684-I775 WeakPolarHBondContact CE1-O 3.46Å; Y684-I775 HydrophobicContact CG-CG2 4Å; Y684-L818 HydrophobicContact CD1-CD2 4.34Å; Y684-L818 HydrophobicContact CE1-CD2 4.03Å
685D81.9Confident89.1Confident75 Ų7571 Ų7140%0.40138%0.384SS..  trans-74.9160.4-176.570.4-76.4000112.6A687 T688 R689D685-A687 VanDerWaalsContact C-N 3.25Å; D685-A687 PolarHBondContact O-N 3.08Å; D685-A687 WeakPolarHBondContact OD2-CA 3.41Å; D685-A687 VanDerWaalsContact OD2-CB 3.23Å; D685-A687 WeakPolarHBondContact OD2-CB 3.45Å; D685-A687 PolarHBondContact OD2-N 3.08Å; D685-T688 PolarHBondContact O-N 3.19Å; D685-T688 WeakPolarHBondContact OD1-CB 3.46Å; D685-T688 PolarHBondContact OD1-OG1 2.8Å; D685-T688 PolarHBondContact OD2-N 2.92Å; D685-R689 PolarHBondContact O-N 3.45Å
686Q86Confident89Confident114 Ų11468.8 Ų68.853%0.53337%0.374SS..Hα-helixtrans-68-21.6-176.2-168.465.6-4.800113.4R690Q686-R690 WeakPolarHBondContact O-CG 3.15Å; Q686-R690 PolarHBondContact O-N 2.97Å; Q686-R690 VanDerWaalsContact O-N 3.14Å
687A89.1Confident89.1Confident64 Ų6467.3 Ų67.353%0.52937%0.365SS..Hα-helixtrans-75-45.4173.900000110.3D685 R689 R690 Q691D685-A687 VanDerWaalsContact C-N 3.25Å; D685-A687 PolarHBondContact O-N 3.08Å; D685-A687 WeakPolarHBondContact OD2-CA 3.41Å; D685-A687 VanDerWaalsContact OD2-CB 3.23Å; D685-A687 WeakPolarHBondContact OD2-CB 3.45Å; D685-A687 PolarHBondContact OD2-N 3.08Å; A687-R689 VanDerWaalsContact C-N 3.26Å; A687-R689 PolarHBondContact O-N 3.44Å; A687-R690 PolarHBondContact O-N 3.36Å; A687-Q691 PolarHBondContact O-N 2.77Å
688T87Confident89.2Confident9 Ų970.7 Ų70.76%0.05538%0.376CS..Hα-helixtrans-56.5-39.4169.1-63.30000111.6Y684 D685 R690 Q691 I692 S749Y684-T688 HydrophobicContact CD2-CG2 4Å; Y684-T688 HydrophobicContact CG-CG2 4.47Å; D685-T688 PolarHBondContact O-N 3.19Å; D685-T688 WeakPolarHBondContact OD1-CB 3.46Å; D685-T688 PolarHBondContact OD1-OG1 2.8Å; D685-T688 PolarHBondContact OD2-N 2.92Å; T688-R690 PolarHBondContact O-N 3.46Å; T688-Q691 PolarHBondContact O-N 2.75Å; T688-I692 HydrophobicContact CG2-CD1 3.63Å; T688-I692 HydrophobicContact CG2-CG1 4.16Å; T688-I692 WeakPolarHBondContact O-CB 3.49Å; T688-I692 WeakPolarHBondContact O-CG1 3.41Å; T688-I692 PolarHBondContact O-N 3.47Å; T688-S749 WeakPolarHBondContact OG1-CB 3.33Å
689R87.2Confident89.3Confident141 Ų14169.6 Ų69.653%0.53236%0.364SS..Hα-helixtrans-59.7-47.3174.8-168.9164.9-177.4157.72.4113.3Y684 D685 A687 Q691 I692 S693Y684-R689 HydrophobicContact CD2-CB 4.01Å; Y684-R689 HydrophobicContact CE2-CB 3.48Å; Y684-R689 VanDerWaalsContact CE2-CB 3.48Å; Y684-R689 HydrophobicContact CE2-CG 3.76Å; D685-R689 PolarHBondContact O-N 3.45Å; A687-R689 VanDerWaalsContact C-N 3.26Å; A687-R689 PolarHBondContact O-N 3.44Å; R689-Q691 VanDerWaalsContact C-N 3.3Å; R689-Q691 PolarHBondContact O-N 2.89Å; R689-I692 PolarHBondContact O-N 3.43Å; R689-S693 VanDerWaalsContact O-CB 3.31Å; R689-S693 WeakPolarHBondContact O-CB 3.45Å; R689-S693 PolarHBondContact O-N 3.21Å
690R90.2Very high89.4Confident183 Ų18365.1 Ų65.169%0.69134%0.34SS*.Hα-helixtrans-63.3-37.5175.7-71.7169.6175.6171.2-1111.5Q686 A687 T688 G694Q686-R690 WeakPolarHBondContact O-CG 3.15Å; Q686-R690 PolarHBondContact O-N 2.97Å; Q686-R690 VanDerWaalsContact O-N 3.14Å; A687-R690 PolarHBondContact O-N 3.36Å; T688-R690 PolarHBondContact O-N 3.46Å; R690-G694 PolarHBondContact O-N 2.96Å
691Q90.3Very high89.7Confident106 Ų10665.5 Ų65.550%0.49533%0.332SS..Hα-helixtrans-70.2-41.9177.9-173.9171.7-1000112.8A687 T688 R689 T695 C745A687-Q691 PolarHBondContact O-N 2.77Å; T688-Q691 PolarHBondContact O-N 2.75Å; R689-Q691 VanDerWaalsContact C-N 3.3Å; R689-Q691 PolarHBondContact O-N 2.89Å; Q691-T695 WeakPolarHBondContact O-CB 3.23Å; Q691-T695 PolarHBondContact O-N 2.79Å; Q691-T695 PolarHBondContact O-OG1 2.91Å; Q691-C745 PolarHBondContact NE2-SG 2.85Å
692I90.7Very high89.9Confident6 Ų666 Ų663%0.03134%0.338CS..Hα-helixtrans-64.2-54175.7-70.4169.1000109.7Y684 T688 R689 G694 T695 I696 T742 A746 A776Y684-I692 HydrophobicContact CD2-CD1 4.46Å; Y684-I692 HydrophobicContact CE2-CD1 4.35Å; T688-I692 HydrophobicContact CG2-CD1 3.63Å; T688-I692 HydrophobicContact CG2-CG1 4.16Å; T688-I692 WeakPolarHBondContact O-CB 3.49Å; T688-I692 WeakPolarHBondContact O-CG1 3.41Å; T688-I692 PolarHBondContact O-N 3.47Å; R689-I692 PolarHBondContact O-N 3.43Å; I692-G694 PolarHBondContact O-N 2.81Å; I692-T695 WeakPolarHBondContact O-CB 3.39Å; I692-T695 PolarHBondContact O-N 3.23Å; I692-I696 HydrophobicContact CG2-CD1 3.89Å; I692-I696 WeakPolarHBondContact O-CG1 3.48Å; I692-I696 PolarHBondContact O-N 2.99Å; I692-T742 HydrophobicContact CB-CG2 4.49Å; I692-T742 HydrophobicContact CG2-CG2 4.03Å; I692-A746 HydrophobicContact CD1-CB 4.39Å; I692-A776 HydrophobicContact CD1-CB 3.85Å; I692-A776 HydrophobicContact CG1-CB 4.45Å; I692-A776 HydrophobicContact CG2-CB 4.38Å
693S90.1Very high90.2Very high67 Ų6765.2 Ų65.247%0.46933%0.334SS..Hα-helixtrans-56.6-49.4178.3173.30000111.4R689 T695 I696 T697R689-S693 VanDerWaalsContact O-CB 3.31Å; R689-S693 WeakPolarHBondContact O-CB 3.45Å; R689-S693 PolarHBondContact O-N 3.21Å; S693-T695 PolarHBondContact O-N 2.94Å; S693-I696 PolarHBondContact O-N 2.87Å; S693-I696 VanDerWaalsContact O-N 3.09Å; S693-T697 PolarHBondContact O-N 3.16Å; S693-T697 PolarHBondContact O-OG1 2.88Å; S693-T697 VanDerWaalsContact O-OG1 3.1Å
694G93.6Very high90.6Very high29 Ų2964.6 Ų64.630%0.29933%0.327SS..Hα-helixtrans-65.6-20.1176.700000114.8R690 I692 K698R690-G694 PolarHBondContact O-N 2.96Å; I692-G694 PolarHBondContact O-N 2.81Å; G694-K698 WeakPolarHBondContact O-CD 3.4Å; G694-K698 WeakPolarHBondContact O-CG 3.13Å; G694-K698 PolarHBondContact O-N 3.23Å
695T92.2Very high91.2Very high35 Ų3567.3 Ų67.322%0.21534%0.342CS..Hα-helixtrans-80.3-38.1171.4-58.20000111.1Q691 I692 S693 A699 K741 T742Q691-T695 WeakPolarHBondContact O-CB 3.23Å; Q691-T695 PolarHBondContact O-N 2.79Å; Q691-T695 PolarHBondContact O-OG1 2.91Å; I692-T695 WeakPolarHBondContact O-CB 3.39Å; I692-T695 PolarHBondContact O-N 3.23Å; S693-T695 PolarHBondContact O-N 2.94Å; T695-A699 WeakPolarHBondContact O-CB 3.43Å; T695-A699 PolarHBondContact O-N 2.88Å; T695-A699 VanDerWaalsContact O-N 3.16Å; T695-K741 HydrophobicContact CG2-CB 4.15Å; T695-T742 HydrophobicContact CG2-CG2 3.82Å
696I92.5Very high91.7Very high13 Ų1364.8 Ų64.87%0.06733%0.328CS..Hα-helixtrans-67.3-46.7175.5-65.6169.9000110.4I692 S693 K698 A699 K700 T742 C777 F812 E814I692-I696 HydrophobicContact CG2-CD1 3.89Å; I692-I696 WeakPolarHBondContact O-CG1 3.48Å; I692-I696 PolarHBondContact O-N 2.99Å; S693-I696 PolarHBondContact O-N 2.87Å; S693-I696 VanDerWaalsContact O-N 3.09Å; I696-K698 PolarHBondContact O-N 3.38Å; I696-A699 WeakPolarHBondContact O-CA 3.43Å; I696-A699 WeakPolarHBondContact O-CB 3.43Å; I696-A699 PolarHBondContact O-N 2.84Å; I696-K700 PolarHBondContact O-N 2.81Å; I696-T742 HydrophobicContact CG1-CG2 4.08Å; I696-C777 HydrophobicContact CD1-CB 4.16Å; I696-F812 HydrophobicContact CG2-CE1 4.28Å; I696-E814 HydrophobicContact CG2-CB 4.22Å
697T93.5Very high92Very high67 Ų6760 Ų6041%0.41131%0.306SS..Hα-helixtrans-56-52.4176.4-54.20000110.8S693 A699 K700 D701S693-T697 PolarHBondContact O-N 3.16Å; S693-T697 PolarHBondContact O-OG1 2.88Å; S693-T697 VanDerWaalsContact O-OG1 3.1Å; T697-A699 PolarHBondContact O-N 2.88Å; T697-A699 VanDerWaalsContact O-N 3.1Å; T697-K700 CarbonylContact O-C 3.57Å; T697-K700 WeakPolarHBondContact O-CA 3.49Å; T697-K700 WeakPolarHBondContact O-CB 3.41Å; T697-K700 PolarHBondContact O-N 2.69Å; T697-D701 PolarHBondContact O-N 3.05Å
698K94.5Very high92.2Very high156 Ų15661.2 Ų61.268%0.67830%0.304SS*.Hα-helixtrans-56.1-31.4175.5-72.9174.3-174.5-173.70114.1G694 I696 A702G694-K698 WeakPolarHBondContact O-CD 3.4Å; G694-K698 WeakPolarHBondContact O-CG 3.13Å; G694-K698 PolarHBondContact O-N 3.23Å; I696-K698 PolarHBondContact O-N 3.38Å; K698-A702 WeakPolarHBondContact O-CB 3.16Å; K698-A702 PolarHBondContact O-N 2.97Å; K698-A702 VanDerWaalsContact O-N 3.15Å
699A93.3Very high92.4Very high9 Ų964.4 Ų64.47%0.07432%0.318CS..Hα-helixtrans-77.1-35.7175.900000112.5T695 I696 T697 V703 I734 A738T695-A699 WeakPolarHBondContact O-CB 3.43Å; T695-A699 PolarHBondContact O-N 2.88Å; T695-A699 VanDerWaalsContact O-N 3.16Å; I696-A699 WeakPolarHBondContact O-CA 3.43Å; I696-A699 WeakPolarHBondContact O-CB 3.43Å; I696-A699 PolarHBondContact O-N 2.84Å; T697-A699 PolarHBondContact O-N 2.88Å; T697-A699 VanDerWaalsContact O-N 3.1Å; A699-V703 WeakPolarHBondContact O-CG2 3.46Å; A699-V703 PolarHBondContact O-N 3.15Å; A699-I734 HydrophobicContact CB-CG2 4.12Å; A699-A738 HydrophobicContact CB-CB 3.48Å; A699-A738 VanDerWaalsContact CB-CB 3.48Å
700K94.1Very high92.5Very high28 Ų2858.7 Ų58.712%0.12230%0.301CS..Hα-helixtrans-63.9-48.2170.1-68.4-170.1178.2-178.90110.6I696 T697 A702 V703 F704 P807 E808 E814I696-K700 PolarHBondContact O-N 2.81Å; T697-K700 CarbonylContact O-C 3.57Å; T697-K700 WeakPolarHBondContact O-CA 3.49Å; T697-K700 WeakPolarHBondContact O-CB 3.41Å; T697-K700 PolarHBondContact O-N 2.69Å; K700-A702 PolarHBondContact O-N 2.95Å; K700-V703 CarbonylContact O-C 3.58Å; K700-V703 WeakPolarHBondContact O-CA 3.43Å; K700-V703 WeakPolarHBondContact O-CB 3.46Å; K700-V703 PolarHBondContact O-N 2.97Å; K700-F704 HydrophobicContact CB-CD2 4.48Å; K700-F704 HydrophobicContact CB-CE2 4.22Å; K700-F704 WeakPolarHBondContact O-CD2 3.42Å; K700-F704 PolarHBondContact O-N 2.77Å; K700-P807 HydrophobicContact CD-CG 4.44Å; K700-P807 HydrophobicContact CG-CG 3.97Å; K700-E808 IonicContact NZ-OE1 3.57Å; K700-E808 PolarHBondContact NZ-OE1 2.91Å; K700-E814 WeakPolarHBondContact CE-OE2 3.47Å; K700-E814 IonicContact NZ-OE1 2.8Å; K700-E814 IonicContact NZ-OE2 2.69Å; K700-E814 PolarHBondContact NZ-OE2 3.06Å
701D95Very high92.5Very high77 Ų7755.3 Ų55.341%0.41229%0.293SS..Hα-helixtrans-56.1-49.8178.8-55.5-26.2000110.8T697 V703 F704 E705T697-D701 PolarHBondContact O-N 3.05Å; D701-V703 PolarHBondContact O-N 3.14Å; D701-F704 PolarHBondContact O-N 3.34Å; D701-E705 WeakPolarHBondContact O-CG 3.22Å; D701-E705 PolarHBondContact O-N 3.23Å
702A94.3Very high92.5Very high26 Ų2655.4 Ų55.422%0.21530%0.297CS..Hα-helixtrans-64.3-22.6176.200000114.2K698 K700 I706 I734K698-A702 WeakPolarHBondContact O-CB 3.16Å; K698-A702 PolarHBondContact O-N 2.97Å; K698-A702 VanDerWaalsContact O-N 3.15Å; K700-A702 PolarHBondContact O-N 2.95Å; A702-I706 WeakPolarHBondContact O-CG1 3.45Å; A702-I706 PolarHBondContact O-N 2.93Å; A702-I734 HydrophobicContact CB-CD1 4.27Å; A702-I734 HydrophobicContact CB-CG2 4.39Å
703V93.8Very high92.2Very high0 Ų063.9 Ų63.90%033%0.329CS..Hα-helixtrans-78.7-38.9170.8167.10000110.9A699 K700 D701 I706 I707 V731 I734 L735A699-V703 WeakPolarHBondContact O-CG2 3.46Å; A699-V703 PolarHBondContact O-N 3.15Å; K700-V703 CarbonylContact O-C 3.58Å; K700-V703 WeakPolarHBondContact O-CA 3.43Å; K700-V703 WeakPolarHBondContact O-CB 3.46Å; K700-V703 PolarHBondContact O-N 2.97Å; D701-V703 PolarHBondContact O-N 3.14Å; V703-I706 PolarHBondContact O-N 3.46Å; V703-I707 HydrophobicContact CG1-CD1 3.94Å; V703-I707 VanDerWaalsContact O-CG1 3.3Å; V703-I707 WeakPolarHBondContact O-CG1 3.32Å; V703-I707 PolarHBondContact O-N 3.03Å; V703-V731 HydrophobicContact CG1-CG1 3.98Å; V703-V731 HydrophobicContact CG1-CG2 4.15Å; V703-V731 HydrophobicContact CG2-CG1 3.95Å; V703-V731 HydrophobicContact CG2-CG2 4.46Å; V703-I734 HydrophobicContact CG2-CB 4.35Å; V703-I734 HydrophobicContact CG2-CG2 4.01Å; V703-L735 HydrophobicContact CG2-CD2 4.09Å; V703-L735 HydrophobicContact CG2-CG 4.31Å
704F93.5Very high92.1Very high93 Ų9365.6 Ų65.641%0.40833%0.333SS..Hα-helixtrans-64.3-41.9173-70-61.5000111.9K700 D701 I706 I707 D708K700-F704 HydrophobicContact CB-CD2 4.48Å; K700-F704 HydrophobicContact CB-CE2 4.22Å; K700-F704 WeakPolarHBondContact O-CD2 3.42Å; K700-F704 PolarHBondContact O-N 2.77Å; D701-F704 PolarHBondContact O-N 3.34Å; F704-I706 VanDerWaalsContact C-N 3.25Å; F704-I706 PolarHBondContact O-N 2.74Å; F704-I707 HydrophobicContact CD1-CD1 4.07Å; F704-I707 HydrophobicContact CE1-CD1 4.48Å; F704-I707 WeakPolarHBondContact O-CA 3.35Å; F704-I707 WeakPolarHBondContact O-CB 3.3Å; F704-I707 PolarHBondContact O-N 2.82Å; F704-D708 PolarHBondContact O-N 2.82Å
705E93.5Very high91.8Very high116 Ų11665.2 Ų65.254%0.54232%0.324SS..Hα-helixtrans-54.6-40.2171.7-72.1175.1-17300112.4D701 Q709D701-E705 WeakPolarHBondContact O-CG 3.22Å; D701-E705 PolarHBondContact O-N 3.23Å; E705-Q709 WeakPolarHBondContact O-CB 3.39Å; E705-Q709 WeakPolarHBondContact O-CG 3.12Å; E705-Q709 PolarHBondContact O-N 3.02Å
706I91.9Very high91.2Very high21 Ų2169.3 Ų69.311%0.10834%0.341CS..Hα-helixtrans-75.6-30.5177.6-71.2179.8000112.3A702 V703 F704 A710 L715 F727 V731 I734A702-I706 WeakPolarHBondContact O-CG1 3.45Å; A702-I706 PolarHBondContact O-N 2.93Å; V703-I706 PolarHBondContact O-N 3.46Å; F704-I706 VanDerWaalsContact C-N 3.25Å; F704-I706 PolarHBondContact O-N 2.74Å; I706-A710 VanDerWaalsContact O-CB 3.3Å; I706-A710 WeakPolarHBondContact O-CB 3.39Å; I706-A710 PolarHBondContact O-N 3.16Å; I706-L715 HydrophobicContact CG2-CD2 4.5Å; I706-F727 HydrophobicContact CG2-CD2 3.71Å; I706-F727 HydrophobicContact CG2-CE2 3.94Å; I706-V731 HydrophobicContact CG2-CG2 4.17Å; I706-I734 HydrophobicContact CD1-CD1 3.43Å; I706-I734 VanDerWaalsContact CD1-CD1 3.43Å
707I92.7Very high90.4Very high14 Ų1471.6 Ų71.67%0.07236%0.356CS..Hα-helixtrans-64.8-46.8171.1-71.9165.4000109.5V703 F704 A710 H711 F727V703-I707 HydrophobicContact CG1-CD1 3.94Å; V703-I707 VanDerWaalsContact O-CG1 3.3Å; V703-I707 WeakPolarHBondContact O-CG1 3.32Å; V703-I707 PolarHBondContact O-N 3.03Å; F704-I707 HydrophobicContact CD1-CD1 4.07Å; F704-I707 HydrophobicContact CE1-CD1 4.48Å; F704-I707 WeakPolarHBondContact O-CA 3.35Å; F704-I707 WeakPolarHBondContact O-CB 3.3Å; F704-I707 PolarHBondContact O-N 2.82Å; I707-A710 WeakPolarHBondContact O-CB 3.5Å; I707-A710 PolarHBondContact O-N 3.16Å; I707-A710 VanDerWaalsContact O-N 3.11Å; I707-H711 WeakPolarHBondContact CG2-CE1 3.11Å; I707-H711 VanDerWaalsContact O-CG 3.29Å; I707-H711 PolarHBondContact O-N 2.99Å; I707-F727 HydrophobicContact CB-CE2 4.41Å; I707-F727 HydrophobicContact CG1-CE2 3.62Å; I707-F727 HydrophobicContact CG1-CZ 3.69Å
708D92.3Very high89.2Confident90 Ų9071.7 Ų71.748%0.48136%0.357SS..Hα-helixtrans-65.3-43178.2-68.1-21000111.7F704 A710 H711 N712F704-D708 PolarHBondContact O-N 2.82Å; D708-A710 PolarHBondContact O-N 3.02Å; D708-H711 PolarHBondContact O-N 2.97Å; D708-N712 WeakPolarHBondContact O-CB 3.37Å; D708-N712 VanDerWaalsContact O-CG 3.25Å; D708-N712 PolarHBondContact O-N 3.29Å; D708-N712 PolarHBondContact O-ND2 2.84Å
709Q91.6Very high87.6Confident76 Ų7668.7 Ų68.736%0.35535%0.354SS..Hα-helixtrans-59.5-33.3171.3-73.3166.124.300112.8E705 Y713 D714 L715E705-Q709 WeakPolarHBondContact O-CB 3.39Å; E705-Q709 WeakPolarHBondContact O-CG 3.12Å; E705-Q709 PolarHBondContact O-N 3.02Å; Q709-Y713 PolarHBondContact O-N 3.4Å; Q709-D714 HydrophobicContact CB-CB 4.3Å; Q709-D714 HydrophobicContact CG-CB 4.44Å; Q709-D714 PolarHBondContact O-N 3.3Å; Q709-L715 HydrophobicContact CB-CB 4.2Å; Q709-L715 PolarHBondContact O-N 3.28Å
710A89.5Confident86Confident21 Ų2168.8 Ų68.817%0.17436%0.356CS..Hα-helixtrans-76-36.5176.400000112.3I706 I707 D708 L715 F727I706-A710 VanDerWaalsContact O-CB 3.3Å; I706-A710 WeakPolarHBondContact O-CB 3.39Å; I706-A710 PolarHBondContact O-N 3.16Å; I707-A710 WeakPolarHBondContact O-CB 3.5Å; I707-A710 PolarHBondContact O-N 3.16Å; I707-A710 VanDerWaalsContact O-N 3.11Å; D708-A710 PolarHBondContact O-N 3.02Å; A710-L715 HydrophobicContact CB-CD2 4.02Å; A710-F727 HydrophobicContact CB-CD2 3.9Å; A710-F727 HydrophobicContact CB-CE2 4.38Å
711H89.6Confident84.7Confident112 Ų11269.1 Ų69.152%0.51936%0.359SS..Hα-helixtrans-70.2-38.6175.2-67.5160.6000112.6I707 D708 Y713I707-H711 WeakPolarHBondContact CG2-CE1 3.11Å; I707-H711 VanDerWaalsContact O-CG 3.29Å; I707-H711 PolarHBondContact O-N 2.99Å; D708-H711 PolarHBondContact O-N 2.97Å; H711-Y713 WeakPolarHBondContact O-CD2 3.5Å; H711-Y713 PolarHBondContact O-N 3.46Å
712N91.3Very high83.8Confident108 Ų10868.9 Ų68.958%0.57836%0.36SS*.THydrogen-bonded Turntrans-79.9-2.6177.8-65.1-17.9000113.6D708 D714D708-N712 WeakPolarHBondContact O-CB 3.37Å; D708-N712 VanDerWaalsContact O-CG 3.25Å; D708-N712 PolarHBondContact O-N 3.29Å; D708-N712 PolarHBondContact O-ND2 2.84Å; N712-D714 VanDerWaalsContact CB-OD2 3.3Å; N712-D714 WeakPolarHBondContact CB-OD2 3.3Å; N712-D714 PolarHBondContact O-N 3.2Å
713Y83.8Confident83.3Confident184 Ų18470.6 Ų70.672%0.72237%0.365SS*.THydrogen-bonded Turntrans63.113.7-174.3-57.5-90.1000115.8Q709 H711 L715Q709-Y713 PolarHBondContact O-N 3.4Å; H711-Y713 WeakPolarHBondContact O-CD2 3.5Å; H711-Y713 PolarHBondContact O-N 3.46Å; Y713-L715 VanDerWaalsContact C-N 3.34Å
714D88.8Confident82.8Confident102 Ų10277.3 Ų77.355%0.54539%0.39SS..  trans-66.4-35.7173.4-65.1-46.4000112Q709 N712 Q716Q709-D714 HydrophobicContact CB-CB 4.3Å; Q709-D714 HydrophobicContact CG-CB 4.44Å; Q709-D714 PolarHBondContact O-N 3.3Å; N712-D714 VanDerWaalsContact CB-OD2 3.3Å; N712-D714 WeakPolarHBondContact CB-OD2 3.3Å; N712-D714 PolarHBondContact O-N 3.2Å; D714-Q716 PolarHBondContact O-N 3.03Å; D714-Q716 PolarHBondContact O-NE2 3.45Å
715L85.6Confident82Confident22 Ų2276.5 Ų76.512%0.11539%0.388CS..SBendtrans-63.1107.6-179-177.265.8000110.9I706 Q709 A710 Y713 L723 T726 F727I706-L715 HydrophobicContact CG2-CD2 4.5Å; Q709-L715 HydrophobicContact CB-CB 4.2Å; Q709-L715 PolarHBondContact O-N 3.28Å; A710-L715 HydrophobicContact CB-CD2 4.02Å; Y713-L715 VanDerWaalsContact C-N 3.34Å; L715-L723 HydrophobicContact CB-CD1 4.09Å; L715-L723 HydrophobicContact CD2-CD1 3.98Å; L715-L723 HydrophobicContact CG-CD1 3.93Å; L715-L723 WeakPolarHBondContact O-CD1 3.41Å; L715-T726 HydrophobicContact CD1-CG2 4.44Å; L715-F727 HydrophobicContact CD2-CB 3.88Å; L715-F727 HydrophobicContact CD2-CD2 4.32Å
716Q80.5Confident81.3Confident121 Ų12171.1 Ų71.157%0.56536%0.363SS*.PPolyproline II helixtrans-78.2136.8175.4-62.4-52.3-5200111.4D714 T718D714-Q716 PolarHBondContact O-N 3.03Å; D714-Q716 PolarHBondContact O-NE2 3.45Å; Q716-T718 PolarHBondContact O-N 3.09Å
717P75.5Confident81.2Confident60 Ų6070.7 Ų70.739%0.3936%0.361SS..PPolyproline II helixtrans-64.9131.1175.427.7-34.1000110.5T726P717-T726 WeakPolarHBondContact CA-OG1 3.44Å
718T69Low80.8Confident69 Ų6971.3 Ų71.342%0.42336%0.363SS..PPolyproline II helixtrans-61.9140.6172-51.90000109.5Q716 G720 N721 T726Q716-T718 PolarHBondContact O-N 3.09Å; T718-G720 PolarHBondContact O-N 3.34Å; T718-N721 PolarHBondContact O-N 2.92Å; T718-T726 PolarHBondContact N-OG1 3.16Å; T718-T726 VanDerWaalsContact OG1-CG2 3.23Å; T718-T726 WeakPolarHBondContact OG1-CG2 3.45Å
719P60.4Low80.2Confident94 Ų9471.2 Ų71.261%0.6136%0.362SS*.THydrogen-bonded Turntrans-46.7130174.9-30.436.1000112.1N721P719-N721 VanDerWaalsContact C-N 3.31Å; P719-N721 PolarHBondContact O-N 3.07Å
720G60.5Low79.9Confident11 Ų1169.4 Ų69.411%0.11336%0.359CS..THydrogen-bonded Turntrans85.9-21.2-177.600000116.1T718 K1296 Y1298T718-G720 PolarHBondContact O-N 3.34Å; G720-K1296 VanDerWaalsContact C-NZ 3.29Å; G720-K1296 WeakPolarHBondContact O-CE 3.36Å; G720-K1296 PolarHBondContact O-NZ 2.97Å; G720-Y1298 WeakPolarHBondContact O-CE1 3.26Å; G720-Y1298 PolarHBondContact O-OH 3.2Å
721N65Low79.9Confident35 Ų3568.4 Ų68.419%0.18735%0.35CS..SBendtrans-98.6158.2179.5-69-35.7000112.3T718 P719 Q725 T726 N729T718-N721 PolarHBondContact O-N 2.92Å; P719-N721 VanDerWaalsContact C-N 3.31Å; P719-N721 PolarHBondContact O-N 3.07Å; N721-Q725 HydrophobicContact CB-CB 3.97Å; N721-T726 WeakPolarHBondContact CB-OG1 3.39Å; N721-N729 PolarHBondContact ND2-ND2 3.41Å
722T76.4Confident79.6Confident71 Ų7163.9 Ų63.944%0.43633%0.33SS..  trans-75.3165.316164.80000110.5R724 Q725 T726T722-R724 VanDerWaalsContact C-N 3.27Å; T722-R724 PolarHBondContact O-N 2.8Å; T722-Q725 PolarHBondContact O-N 3.02Å; T722-Q725 WeakPolarHBondContact OG1-CB 3.48Å; T722-Q725 WeakPolarHBondContact OG1-CG 3.49Å; T722-Q725 PolarHBondContact OG1-N 3.28Å; T722-Q725 VanDerWaalsContact OG1-N 3.08Å; T722-Q725 PolarHBondContact OG1-OE1 3.3Å; T722-T726 WeakPolarHBondContact O-CB 3.47Å; T722-T726 PolarHBondContact O-N 3.1Å; T722-T726 PolarHBondContact O-OG1 3.36Å
723L83.4Confident79.3Confident62 Ų6263.1 Ų63.133%0.32532%0.321SS..Hα-helixtrans-54.4-46.3172179.258.1000111.1L715 Q725 T726 F727L715-L723 HydrophobicContact CB-CD1 4.09Å; L715-L723 HydrophobicContact CD2-CD1 3.98Å; L715-L723 HydrophobicContact CG-CD1 3.93Å; L715-L723 WeakPolarHBondContact O-CD1 3.41Å; L723-Q725 PolarHBondContact O-N 2.65Å; L723-T726 WeakPolarHBondContact O-CB 3.46Å; L723-T726 PolarHBondContact O-N 3.28Å; L723-F727 WeakPolarHBondContact O-CB 3.4Å; L723-F727 PolarHBondContact O-N 3.18Å
724R83.5Confident79.7Confident141 Ų14156.1 Ų56.153%0.53230%0.296SS..Hα-helixtrans-64.5-39.2178-165.2178.3-166.1-179.78.9113.4T722 E728 Y805T722-R724 VanDerWaalsContact C-N 3.27Å; T722-R724 PolarHBondContact O-N 2.8Å; R724-E728 WeakPolarHBondContact O-CB 3.44Å; R724-E728 WeakPolarHBondContact O-CG 3.36Å; R724-E728 PolarHBondContact O-N 3.39Å; R724-Y805 PolarHBondContact NH2-OH 3.35Å
725Q77.2Confident79.8Confident77 Ų7751.3 Ų51.336%0.3627%0.27SS..Hα-helixtrans-67.3-37.7173.8-77167.5-2600111.6N721 T722 L723 E728 N729N721-Q725 HydrophobicContact CB-CB 3.97Å; T722-Q725 PolarHBondContact O-N 3.02Å; T722-Q725 WeakPolarHBondContact OG1-CB 3.48Å; T722-Q725 WeakPolarHBondContact OG1-CG 3.49Å; T722-Q725 PolarHBondContact OG1-N 3.28Å; T722-Q725 VanDerWaalsContact OG1-N 3.08Å; T722-Q725 PolarHBondContact OG1-OE1 3.3Å; L723-Q725 PolarHBondContact O-N 2.65Å; Q725-E728 PolarHBondContact O-N 3.34Å; Q725-N729 VanDerWaalsContact O-CB 3.24Å; Q725-N729 WeakPolarHBondContact O-CB 3.25Å; Q725-N729 PolarHBondContact O-N 2.94Å; Q725-N729 PolarHBondContact O-ND2 2.88Å
726T78.8Confident79.8Confident3 Ų351.6 Ų51.62%0.01827%0.272CS..Hα-helixtrans-63.1-47.3176-58.10000110.9L715 P717 T718 N721 T722 L723 N729 S730L715-T726 HydrophobicContact CD1-CG2 4.44Å; P717-T726 WeakPolarHBondContact CA-OG1 3.44Å; T718-T726 PolarHBondContact N-OG1 3.16Å; T718-T726 VanDerWaalsContact OG1-CG2 3.23Å; T718-T726 WeakPolarHBondContact OG1-CG2 3.45Å; N721-T726 WeakPolarHBondContact CB-OG1 3.39Å; T722-T726 WeakPolarHBondContact O-CB 3.47Å; T722-T726 PolarHBondContact O-N 3.1Å; T722-T726 PolarHBondContact O-OG1 3.36Å; L723-T726 WeakPolarHBondContact O-CB 3.46Å; L723-T726 PolarHBondContact O-N 3.28Å; T726-N729 PolarHBondContact O-N 2.87Å; T726-S730 WeakPolarHBondContact O-CB 3.17Å; T726-S730 PolarHBondContact O-N 3.08Å; T726-S730 PolarHBondContact O-OG 2.88Å
727F89.4Confident80.1Confident12 Ų1247.7 Ų47.75%0.05326%0.255CS..Hα-helixtrans-54.7-57.1172.1171.8-98.2000111.8I706 I707 A710 L715 L723 N729 S730 V731 Y805I706-F727 HydrophobicContact CG2-CD2 3.71Å; I706-F727 HydrophobicContact CG2-CE2 3.94Å; I707-F727 HydrophobicContact CB-CE2 4.41Å; I707-F727 HydrophobicContact CG1-CE2 3.62Å; I707-F727 HydrophobicContact CG1-CZ 3.69Å; A710-F727 HydrophobicContact CB-CD2 3.9Å; A710-F727 HydrophobicContact CB-CE2 4.38Å; L715-F727 HydrophobicContact CD2-CB 3.88Å; L715-F727 HydrophobicContact CD2-CD2 4.32Å; L723-F727 WeakPolarHBondContact O-CB 3.4Å; L723-F727 PolarHBondContact O-N 3.18Å; F727-N729 VanDerWaalsContact C-N 3.35Å; F727-N729 PolarHBondContact O-N 2.9Å; F727-S730 PolarHBondContact O-N 2.87Å; F727-V731 HydrophobicContact CD2-CG2 4.31Å; F727-V731 HydrophobicContact CE1-CG2 4.36Å; F727-V731 HydrophobicContact CE2-CG2 3.9Å; F727-V731 HydrophobicContact CZ-CG2 3.92Å; F727-V731 WeakPolarHBondContact O-CG2 3.37Å; F727-V731 PolarHBondContact O-N 2.95Å; F727-Y805 AromaticContact CE1-CD1 3.89Å; F727-Y805 HydrophobicContact CE1-CD1 3.89Å; F727-Y805 HydrophobicContact CE1-CG 4.1Å; F727-Y805 HydrophobicContact CZ-CG 4.31Å
728E84.7Confident80.8Confident26 Ų2645 Ų4512%0.12124%0.238CC..Hα-helixtrans-60.3-40.5-179.2-73.8-64.9148.200112.6R724 Q725 N732 R787R724-E728 WeakPolarHBondContact O-CB 3.44Å; R724-E728 WeakPolarHBondContact O-CG 3.36Å; R724-E728 PolarHBondContact O-N 3.39Å; Q725-E728 PolarHBondContact O-N 3.34Å; E728-N732 WeakPolarHBondContact O-CB 3.31Å; E728-N732 PolarHBondContact O-N 3.47Å; E728-N732 PolarHBondContact O-ND2 2.92Å; E728-R787 IonicContact OE1-CZ 3.27Å; E728-R787 IonicContact OE1-NE 3.22Å; E728-R787 IonicContact OE1-NH2 2.77Å; E728-R787 PolarHBondContact OE1-NH2 3.13Å; E728-R787 IonicContact OE2-CZ 2.72Å; E728-R787 IonicContact OE2-NE 3Å; E728-R787 PolarHBondContact OE2-NE 2.56Å; E728-R787 IonicContact OE2-NH2 2.74Å; E728-R787 PolarHBondContact OE2-NH2 2.83Å
729N78.9Confident81.7Confident88 Ų8843.5 Ų43.547%0.47122%0.224SC..Hα-helixtrans-64.3-42.7177.6-72.2-18000111.8N721 Q725 T726 F727 K733N721-N729 PolarHBondContact ND2-ND2 3.41Å; Q725-N729 VanDerWaalsContact O-CB 3.24Å; Q725-N729 WeakPolarHBondContact O-CB 3.25Å; Q725-N729 PolarHBondContact O-N 2.94Å; Q725-N729 PolarHBondContact O-ND2 2.88Å; T726-N729 PolarHBondContact O-N 2.87Å; F727-N729 VanDerWaalsContact C-N 3.35Å; F727-N729 PolarHBondContact O-N 2.9Å; N729-K733 WeakPolarHBondContact O-CB 3.34Å; N729-K733 PolarHBondContact O-N 2.73Å
730S85.5Confident82.9Confident39 Ų3941.9 Ų41.927%0.27321%0.211SC..Hα-helixtrans-66.4-44.4178.7-62.90000111.9T726 F727 K733 I734T726-S730 WeakPolarHBondContact O-CB 3.17Å; T726-S730 PolarHBondContact O-N 3.08Å; T726-S730 PolarHBondContact O-OG 2.88Å; F727-S730 PolarHBondContact O-N 2.87Å; S730-K733 PolarHBondContact O-N 3.42Å; S730-I734 WeakPolarHBondContact O-CG1 3.46Å; S730-I734 PolarHBondContact O-N 3.42Å; S730-I734 VanDerWaalsContact O-N 3.11Å
731V90.5Very high84.2Confident0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-63.6-48.2176.7173.40000111.2V703 I706 F727 K733 I734 L735V703-V731 HydrophobicContact CG1-CG1 3.98Å; V703-V731 HydrophobicContact CG1-CG2 4.15Å; V703-V731 HydrophobicContact CG2-CG1 3.95Å; V703-V731 HydrophobicContact CG2-CG2 4.46Å; I706-V731 HydrophobicContact CG2-CG2 4.17Å; F727-V731 HydrophobicContact CD2-CG2 4.31Å; F727-V731 HydrophobicContact CE1-CG2 4.36Å; F727-V731 HydrophobicContact CE2-CG2 3.9Å; F727-V731 HydrophobicContact CZ-CG2 3.92Å; F727-V731 WeakPolarHBondContact O-CG2 3.37Å; F727-V731 PolarHBondContact O-N 2.95Å; V731-K733 VanDerWaalsContact C-N 3.28Å; V731-K733 PolarHBondContact O-N 2.73Å; V731-I734 PolarHBondContact O-N 3.5Å; V731-L735 HydrophobicContact CG1-CD1 3.75Å; V731-L735 HydrophobicContact CG1-CG 4.28Å; V731-L735 WeakPolarHBondContact O-CG 3.09Å; V731-L735 PolarHBondContact O-N 3.18Å
732N84Confident85.4Confident16 Ų1645.8 Ų45.89%0.08622%0.223CC..Hα-helixtrans-60.8-36.4177.2-80.1-70.1000112.5E728 N736 R787E728-N732 WeakPolarHBondContact O-CB 3.31Å; E728-N732 PolarHBondContact O-N 3.47Å; E728-N732 PolarHBondContact O-ND2 2.92Å; N732-N736 WeakPolarHBondContact O-CB 3.5Å; N732-N736 PolarHBondContact O-N 3.43Å; N732-N736 VanDerWaalsContact O-N 3.08Å; N732-N736 PolarHBondContact O-ND2 3.45Å; N732-R787 VanDerWaalsContact OD1-CG 3.29Å; N732-R787 WeakPolarHBondContact OD1-CG 3.37Å
733K84.7Confident85.9Confident92 Ų9242.7 Ų42.740%0.421%0.205SC..Hα-helixtrans-60.8-50.3174.3-174.2-164.2169.1-158.80110.9N729 S730 V731 L735 N736 D737N729-K733 WeakPolarHBondContact O-CB 3.34Å; N729-K733 PolarHBondContact O-N 2.73Å; S730-K733 PolarHBondContact O-N 3.42Å; V731-K733 VanDerWaalsContact C-N 3.28Å; V731-K733 PolarHBondContact O-N 2.73Å; K733-L735 PolarHBondContact O-N 2.81Å; K733-N736 PolarHBondContact O-N 3.2Å; K733-D737 WeakPolarHBondContact CE-OD2 3.15Å; K733-D737 WeakPolarHBondContact O-CB 3.28Å; K733-D737 VanDerWaalsContact O-CG 3.25Å; K733-D737 PolarHBondContact O-N 3.2Å
734I91.9Very high86Confident37 Ų3742.5 Ų42.519%0.1921%0.209CC..Hα-helixtrans-61.2-45.2-178.6-69.4167.3000111.4A699 A702 V703 I706 S730 V731 D737 A738A699-I734 HydrophobicContact CB-CG2 4.12Å; A702-I734 HydrophobicContact CB-CD1 4.27Å; A702-I734 HydrophobicContact CB-CG2 4.39Å; V703-I734 HydrophobicContact CG2-CB 4.35Å; V703-I734 HydrophobicContact CG2-CG2 4.01Å; I706-I734 HydrophobicContact CD1-CD1 3.43Å; I706-I734 VanDerWaalsContact CD1-CD1 3.43Å; S730-I734 WeakPolarHBondContact O-CG1 3.46Å; S730-I734 PolarHBondContact O-N 3.42Å; S730-I734 VanDerWaalsContact O-N 3.11Å; V731-I734 PolarHBondContact O-N 3.5Å; I734-D737 PolarHBondContact O-N 2.99Å; I734-A738 VanDerWaalsContact O-CB 3.31Å; I734-A738 WeakPolarHBondContact O-CB 3.49Å; I734-A738 PolarHBondContact O-N 2.9Å
735L91.2Very high86.1Confident1 Ų136.1 Ų36.11%0.00519%0.186CC..Hα-helixtrans-68.1-35.7-178-63.5177.2000112.7V703 V731 K733 R739 Q780 P807 F812V703-L735 HydrophobicContact CG2-CD2 4.09Å; V703-L735 HydrophobicContact CG2-CG 4.31Å; V731-L735 HydrophobicContact CG1-CD1 3.75Å; V731-L735 HydrophobicContact CG1-CG 4.28Å; V731-L735 WeakPolarHBondContact O-CG 3.09Å; V731-L735 PolarHBondContact O-N 3.18Å; K733-L735 PolarHBondContact O-N 2.81Å; L735-R739 PolarHBondContact O-N 3.01Å; L735-R739 VanDerWaalsContact O-N 3.15Å; L735-Q780 VanDerWaalsContact CD1-OE1 3.24Å; L735-P807 HydrophobicContact CD1-CB 4.39Å; L735-P807 HydrophobicContact CD2-CB 4.17Å; L735-F812 HydrophobicContact CB-CD2 3.9Å; L735-F812 HydrophobicContact CB-CE2 3.93Å; L735-F812 HydrophobicContact CD1-CB 4.37Å; L735-F812 HydrophobicContact CD1-CD2 4.02Å; L735-F812 HydrophobicContact CD1-CG 4.43Å; L735-F812 HydrophobicContact CD2-CD2 3.75Å; L735-F812 HydrophobicContact CD2-CE2 3.87Å; L735-F812 HydrophobicContact CD2-CG 4.12Å; L735-F812 HydrophobicContact CD2-CZ 4.35Å; L735-F812 HydrophobicContact CG-CD2 4.09Å; L735-F812 HydrophobicContact CG-CE2 4.38Å
736N84.5Confident86.5Confident28 Ų2832.5 Ų32.515%0.1517%0.169CC..Hα-helixtrans-71.4-44.9172.9-73.9-44.6000112N732 K733 A738 R739 D740N732-N736 WeakPolarHBondContact O-CB 3.5Å; N732-N736 PolarHBondContact O-N 3.43Å; N732-N736 VanDerWaalsContact O-N 3.08Å; N732-N736 PolarHBondContact O-ND2 3.45Å; K733-N736 PolarHBondContact O-N 3.2Å; N736-A738 PolarHBondContact O-N 3.44Å; N736-R739 PolarHBondContact O-N 3.15Å; N736-D740 PolarHBondContact O-N 2.82Å
737D88.1Confident86.7Confident40 Ų4034.2 Ų34.221%0.21418%0.177CC..Hα-helixtrans-58.8-34.8174.6-74.4-11.6000111K733 I734 K741K733-D737 WeakPolarHBondContact CE-OD2 3.15Å; K733-D737 WeakPolarHBondContact O-CB 3.28Å; K733-D737 VanDerWaalsContact O-CG 3.25Å; K733-D737 PolarHBondContact O-N 3.2Å; I734-D737 PolarHBondContact O-N 2.99Å; D737-K741 WeakPolarHBondContact O-CB 3.31Å; D737-K741 VanDerWaalsContact O-CD 3.29Å; D737-K741 WeakPolarHBondContact O-CD 3.31Å; D737-K741 WeakPolarHBondContact O-CG 3.29Å; D737-K741 PolarHBondContact O-N 2.85Å; D737-K741 VanDerWaalsContact O-N 3.09Å
738A89.8Confident86.4Confident3 Ų342.9 Ų42.93%0.02521%0.209CC..Hα-helixtrans-66.6-49175.600000112A699 I734 N736 D740 K741 T742A699-A738 HydrophobicContact CB-CB 3.48Å; A699-A738 VanDerWaalsContact CB-CB 3.48Å; I734-A738 VanDerWaalsContact O-CB 3.31Å; I734-A738 WeakPolarHBondContact O-CB 3.49Å; I734-A738 PolarHBondContact O-N 2.9Å; N736-A738 PolarHBondContact O-N 3.44Å; A738-D740 VanDerWaalsContact C-N 3.33Å; A738-D740 PolarHBondContact O-N 3.4Å; A738-K741 PolarHBondContact O-N 3.12Å; A738-T742 WeakPolarHBondContact O-CG2 3.28Å; A738-T742 PolarHBondContact O-N 3.39Å; A738-T742 PolarHBondContact O-OG1 2.83Å; A738-T742 VanDerWaalsContact O-OG1 3.11Å
739R87.5Confident86.4Confident38 Ų3843.6 Ų43.614%0.14322%0.217CC..Hα-helixtrans-56.4-45.7174.8-173.8-156.370.3176.9-1.4111.7L735 N736 K741 T742 G743 S772L735-R739 PolarHBondContact O-N 3.01Å; L735-R739 VanDerWaalsContact O-N 3.15Å; N736-R739 PolarHBondContact O-N 3.15Å; R739-K741 PolarHBondContact O-N 3.2Å; R739-T742 WeakPolarHBondContact CA-OG1 3.24Å; R739-T742 PolarHBondContact O-N 3.13Å; R739-T742 PolarHBondContact O-OG1 2.82Å; R739-G743 PolarHBondContact O-N 3.1Å; R739-S772 PolarHBondContact O-OG 2.92Å
740D85Confident86.7Confident60 Ų6040.2 Ų40.232%0.32120%0.199SC..Hα-helixtrans-71.2-33-176.2-69.9-4.9000111.9N736 A738 S744N736-D740 PolarHBondContact O-N 2.82Å; A738-D740 VanDerWaalsContact C-N 3.33Å; A738-D740 PolarHBondContact O-N 3.4Å; D740-S744 VanDerWaalsContact O-CB 3.22Å; D740-S744 WeakPolarHBondContact O-CB 3.24Å; D740-S744 PolarHBondContact O-N 2.79Å; D740-S744 PolarHBondContact O-OG 3.14Å
741K89.1Confident86.7Confident127 Ų12741.3 Ų41.355%0.55221%0.206SC*.Hα-helixtrans-68.4-44.9171.9-74.5166.1-171.3166.10112.4T695 D737 A738 R739 S744 C745T695-K741 HydrophobicContact CG2-CB 4.15Å; D737-K741 WeakPolarHBondContact O-CB 3.31Å; D737-K741 VanDerWaalsContact O-CD 3.29Å; D737-K741 WeakPolarHBondContact O-CD 3.31Å; D737-K741 WeakPolarHBondContact O-CG 3.29Å; D737-K741 PolarHBondContact O-N 2.85Å; D737-K741 VanDerWaalsContact O-N 3.09Å; A738-K741 PolarHBondContact O-N 3.12Å; R739-K741 PolarHBondContact O-N 3.2Å; K741-S744 PolarHBondContact O-N 2.78Å; K741-C745 WeakPolarHBondContact O-CB 3.44Å; K741-C745 PolarHBondContact O-N 3.38Å
742T89.6Confident86.4Confident0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-68-40.5178.6550000111.5I692 T695 I696 A738 R739 C745 A746 C777I692-T742 HydrophobicContact CB-CG2 4.49Å; I692-T742 HydrophobicContact CG2-CG2 4.03Å; T695-T742 HydrophobicContact CG2-CG2 3.82Å; I696-T742 HydrophobicContact CG1-CG2 4.08Å; A738-T742 WeakPolarHBondContact O-CG2 3.28Å; A738-T742 PolarHBondContact O-N 3.39Å; A738-T742 PolarHBondContact O-OG1 2.83Å; A738-T742 VanDerWaalsContact O-OG1 3.11Å; R739-T742 WeakPolarHBondContact CA-OG1 3.24Å; R739-T742 PolarHBondContact O-N 3.13Å; R739-T742 PolarHBondContact O-OG1 2.82Å; T742-C745 VanDerWaalsContact O-CB 3.29Å; T742-C745 WeakPolarHBondContact O-CB 3.49Å; T742-C745 PolarHBondContact O-N 3.18Å; T742-C745 VanDerWaalsContact O-N 3.16Å; T742-A746 PolarHBondContact O-N 3.34Å; T742-C777 PolarHBondContact OG1-SG 2.88Å
743G85.6Confident86.5Confident7 Ų753.7 Ų53.77%0.07226%0.256CS..Hα-helixtrans-60.9-43.7171.400000113.3R739 C745 A746 Q747 S772R739-G743 PolarHBondContact O-N 3.1Å; G743-C745 VanDerWaalsContact C-N 3.26Å; G743-C745 PolarHBondContact O-N 2.98Å; G743-A746 PolarHBondContact O-N 3.14Å; G743-Q747 PolarHBondContact O-N 3.22Å; G743-S772 WeakPolarHBondContact CA-OG 3.13Å; G743-S772 PolarHBondContact N-OG 3.32Å
744S85.3Confident86.8Confident58 Ų5849.9 Ų49.941%0.40624%0.24SC..Hα-helixtrans-69.6-21.4174.8-58.70000113.3D740 K741 R748D740-S744 VanDerWaalsContact O-CB 3.22Å; D740-S744 WeakPolarHBondContact O-CB 3.24Å; D740-S744 PolarHBondContact O-N 2.79Å; D740-S744 PolarHBondContact O-OG 3.14Å; K741-S744 PolarHBondContact O-N 2.78Å; S744-R748 WeakPolarHBondContact O-CG 3.44Å; S744-R748 PolarHBondContact O-NE 3.14Å
745C86.3Confident86.8Confident7 Ų749.5 Ų49.55%0.04724%0.238CC..Hα-helixtrans-73.3-54.9169.8-171.90000110Q691 K741 T742 G743 Q747 R748 S749Q691-C745 PolarHBondContact NE2-SG 2.85Å; K741-C745 WeakPolarHBondContact O-CB 3.44Å; K741-C745 PolarHBondContact O-N 3.38Å; T742-C745 VanDerWaalsContact O-CB 3.29Å; T742-C745 WeakPolarHBondContact O-CB 3.49Å; T742-C745 PolarHBondContact O-N 3.18Å; T742-C745 VanDerWaalsContact O-N 3.16Å; G743-C745 VanDerWaalsContact C-N 3.26Å; G743-C745 PolarHBondContact O-N 2.98Å; C745-Q747 VanDerWaalsContact C-N 3.34Å; C745-Q747 PolarHBondContact O-N 3.23Å; C745-R748 PolarHBondContact O-N 3.3Å; C745-S749 PolarHBondContact O-N 3.1Å; C745-S749 VanDerWaalsContact O-N 3.15Å
746A86.2Confident86.8Confident0 Ų050.5 Ų50.50%024%0.243CC..Hα-helixtrans-56.6-44.5178.900000112.3I692 T742 G743 R748 S749 L750 I775 A776I692-A746 HydrophobicContact CD1-CB 4.39Å; T742-A746 PolarHBondContact O-N 3.34Å; G743-A746 PolarHBondContact O-N 3.14Å; A746-R748 PolarHBondContact O-N 3.46Å; A746-S749 PolarHBondContact O-N 3Å; A746-S749 PolarHBondContact O-OG 2.66Å; A746-L750 WeakPolarHBondContact O-CG 3.47Å; A746-L750 PolarHBondContact O-N 3.17Å; A746-I775 HydrophobicContact CB-CB 4.33Å; A746-I775 HydrophobicContact CB-CG2 4Å; A746-A776 HydrophobicContact CB-CB 4.11Å
747Q82.9Confident87.1Confident40 Ų4050.1 Ų50.119%0.18724%0.241CC..Hα-helixtrans-61.5-33.2177.8-165.1-169.7-8.800112.7G743 C745 R768 I771G743-Q747 PolarHBondContact O-N 3.22Å; C745-Q747 VanDerWaalsContact C-N 3.34Å; C745-Q747 PolarHBondContact O-N 3.23Å; Q747-R768 VanDerWaalsContact OE1-CD 3.26Å; Q747-I771 HydrophobicContact CG-CD1 4.35Å
748R82.8Confident87.3Confident194 Ų19449 Ų4973%0.73224%0.235SC*.Hα-helixtrans-78.8-21.9179.1-79.2-178.2-71.4168.1-2.2113.7S744 C745 A746S744-R748 WeakPolarHBondContact O-CG 3.44Å; S744-R748 PolarHBondContact O-NE 3.14Å; C745-R748 PolarHBondContact O-N 3.3Å; A746-R748 PolarHBondContact O-N 3.46Å
749S85Confident87.5Confident41 Ų4150.5 Ų50.529%0.28724%0.242SC..Hα-helixtrans-85-19.3174.564.40000113.1T688 C745 A746 S751T688-S749 WeakPolarHBondContact OG1-CB 3.33Å; C745-S749 PolarHBondContact O-N 3.1Å; C745-S749 VanDerWaalsContact O-N 3.15Å; A746-S749 PolarHBondContact O-N 3Å; A746-S749 PolarHBondContact O-OG 2.66Å; S749-S751 PolarHBondContact O-N 2.84Å
750L85.4Confident87.7Confident16 Ų1649.6 Ų49.68%0.08424%0.24CC..SBendtrans-66.1132.3174.5-65.2-169.6000111.4A746 N754 N757 I771 I775A746-L750 WeakPolarHBondContact O-CG 3.47Å; A746-L750 PolarHBondContact O-N 3.17Å; L750-N754 HydrophobicContact CB-CB 4.32Å; L750-N757 HydrophobicContact CB-CB 4.23Å; L750-N757 HydrophobicContact CD1-CB 4.03Å; L750-I771 HydrophobicContact CD1-CD1 4.36Å; L750-I771 HydrophobicContact CD1-CG2 3.91Å; L750-I775 HydrophobicContact CD1-CD1 3.99Å; L750-I775 HydrophobicContact CD2-CD1 3.82Å; L750-I775 HydrophobicContact CG-CD1 4.32Å
751S85.9Confident87.9Confident62 Ų6248 Ų4843%0.43423%0.232SC..  trans-68.2163.6177.774.90000112.3S749 Y753 N754 N757S749-S751 PolarHBondContact O-N 2.84Å; S751-Y753 PolarHBondContact O-N 3.26Å; S751-Y753 PolarHBondContact OG-N 3.06Å; S751-N754 WeakPolarHBondContact O-CB 3.41Å; S751-N754 PolarHBondContact O-N 3.12Å; S751-N754 PolarHBondContact OG-N 2.98Å; S751-N757 PolarHBondContact O-ND2 3.21Å; S751-N757 VanDerWaalsContact O-ND2 3.16Å
752K82.9Confident88.1Confident99 Ų9942 Ų4243%0.4321%0.206SC..THydrogen-bonded Turntrans-58.8-30.8169.8-171.9-166169.1-162.20111.9D542 I758D542-K752 VanDerWaalsContact CG-NZ 3.32Å; D542-K752 IonicContact OD1-NZ 3.16Å; D542-K752 PolarHBondContact OD1-NZ 3.3Å; D542-K752 VanDerWaalsContact OD1-NZ 3.16Å; D542-K752 IonicContact OD2-NZ 2.67Å; D542-K752 PolarHBondContact OD2-NZ 3.13Å; K752-I758 WeakPolarHBondContact O-CG1 3.46Å
753Y87Confident88.2Confident177 Ų17742.8 Ų42.869%0.69422%0.215SC*.THydrogen-bonded Turntrans-86-8.4-176.7-55.6-69.7000114.1S751 N755S751-Y753 PolarHBondContact O-N 3.26Å; S751-Y753 PolarHBondContact OG-N 3.06Å; Y753-N755 PolarHBondContact O-N 3.24Å
754N90.8Very high88.5Confident12 Ų1243.4 Ų43.46%0.06422%0.218CC..  trans-64.9122.3178.5178.8-75.1000110.4D681 L750 S751 F756 N757 I758D681-N754 WeakPolarHBondContact CA-ND2 3.28Å; D681-N754 PolarHBondContact O-ND2 3.29Å; L750-N754 HydrophobicContact CB-CB 4.32Å; S751-N754 WeakPolarHBondContact O-CB 3.41Å; S751-N754 PolarHBondContact O-N 3.12Å; S751-N754 PolarHBondContact OG-N 2.98Å; N754-F756 VanDerWaalsContact C-N 3.34Å; N754-F756 PolarHBondContact O-N 3.46Å; N754-F756 WeakPolarHBondContact OD1-CB 3.27Å; N754-F756 PolarHBondContact OD1-N 3.43Å; N754-F756 VanDerWaalsContact OD1-N 3.13Å; N754-N757 HydrophobicContact CB-CB 3.97Å; N754-N757 WeakPolarHBondContact O-CB 3.33Å; N754-N757 PolarHBondContact O-N 3.36Å; N754-N757 PolarHBondContact OD1-N 3.36Å; N754-I758 WeakPolarHBondContact O-CG1 3.46Å; N754-I758 PolarHBondContact O-N 3.41Å
755N92.2Very high88.7Confident30 Ų3047.8 Ų47.816%0.1623%0.23CC..Hα-helixtrans-65.7-38.3-171.8-66.5-71.3000112.5H675 T676 D681 Y753 N757 I758 M759H675-N755 PolarHBondContact CE1-OD1 3.04Å; H675-N755 PolarHBondContact ND1-OD1 2.95Å; H675-N755 VanDerWaalsContact ND1-OD1 3.15Å; T676-N755 WeakPolarHBondContact O-CB 3.49Å; T676-N755 PolarHBondContact O-ND2 3.09Å; T676-N755 PolarHBondContact O-OD1 3.36Å; D681-N755 WeakPolarHBondContact OD1-CB 3.43Å; D681-N755 PolarHBondContact OD1-N 3.14Å; D681-N755 PolarHBondContact OD1-ND2 2.93Å; D681-N755 PolarHBondContact OD2-ND2 3.35Å; Y753-N755 PolarHBondContact O-N 3.24Å; N755-N757 VanDerWaalsContact C-N 3.34Å; N755-N757 PolarHBondContact O-N 3.47Å; N755-I758 PolarHBondContact O-N 3.17Å; N755-M759 WeakPolarHBondContact O-CG 3.36Å; N755-M759 PolarHBondContact O-N 2.72Å
756F91.1Very high88.6Confident21 Ų2149.2 Ų49.29%0.09225%0.246CC..Hα-helixtrans-65.2-39.8178.3-169.5-153.5000111.4I677 D681 N754 M759 V760 N770 I771 V774I677-F756 HydrophobicContact CD1-CB 3.76Å; I677-F756 HydrophobicContact CD1-CD2 3.81Å; I677-F756 HydrophobicContact CD1-CG 3.93Å; I677-F756 HydrophobicContact CG1-CB 4.47Å; D681-F756 HydrophobicContact CB-CB 4.23Å; N754-F756 VanDerWaalsContact C-N 3.34Å; N754-F756 PolarHBondContact O-N 3.46Å; N754-F756 WeakPolarHBondContact OD1-CB 3.27Å; N754-F756 PolarHBondContact OD1-N 3.43Å; N754-F756 VanDerWaalsContact OD1-N 3.13Å; F756-M759 PolarHBondContact O-N 3.23Å; F756-V760 HydrophobicContact CE2-CG2 4.48Å; F756-V760 WeakPolarHBondContact O-CG2 3.38Å; F756-V760 PolarHBondContact O-N 2.98Å; F756-N770 HydrophobicContact CZ-CB 4.11Å; F756-I771 HydrophobicContact CD1-CG1 4.03Å; F756-I771 HydrophobicContact CE1-CB 4.32Å; F756-I771 HydrophobicContact CE1-CG1 3.78Å; F756-I771 HydrophobicContact CZ-CG1 4.09Å; F756-V774 HydrophobicContact CE1-CB 4.25Å; F756-V774 HydrophobicContact CE1-CG1 4.48Å; F756-V774 HydrophobicContact CE1-CG2 4.45Å; F756-V774 HydrophobicContact CZ-CG2 4.47Å
757N90.6Very high88.6Confident20 Ų2051.6 Ų51.611%0.10726%0.262CS..Hα-helixtrans-63.4-44.8172.9-164.620.8000111.4L750 S751 N754 N755 M759 V760 V761L750-N757 HydrophobicContact CB-CB 4.23Å; L750-N757 HydrophobicContact CD1-CB 4.03Å; S751-N757 PolarHBondContact O-ND2 3.21Å; S751-N757 VanDerWaalsContact O-ND2 3.16Å; N754-N757 HydrophobicContact CB-CB 3.97Å; N754-N757 WeakPolarHBondContact O-CB 3.33Å; N754-N757 PolarHBondContact O-N 3.36Å; N754-N757 PolarHBondContact OD1-N 3.36Å; N755-N757 VanDerWaalsContact C-N 3.34Å; N755-N757 PolarHBondContact O-N 3.47Å; N757-M759 PolarHBondContact O-N 3.14Å; N757-V760 PolarHBondContact O-N 2.88Å; N757-V761 WeakPolarHBondContact O-CB 3.27Å; N757-V761 VanDerWaalsContact O-CG2 3.3Å; N757-V761 WeakPolarHBondContact O-CG2 3.47Å; N757-V761 PolarHBondContact O-N 3.29Å
758I92.3Very high88.6Confident17 Ų1757.4 Ų57.49%0.08728%0.283CS..Hα-helixtrans-57.9-46.2177.3-67.7164.6000111.1T533 K537 K752 N754 N755 V760 V761 A762T533-I758 HydrophobicContact CG2-CG2 3.98Å; K537-I758 HydrophobicContact CG-CG2 4.06Å; K752-I758 WeakPolarHBondContact O-CG1 3.46Å; N754-I758 WeakPolarHBondContact O-CG1 3.46Å; N754-I758 PolarHBondContact O-N 3.41Å; N755-I758 PolarHBondContact O-N 3.17Å; I758-V760 PolarHBondContact O-N 3.26Å; I758-V761 PolarHBondContact O-N 3.42Å; I758-A762 VanDerWaalsContact O-CB 3.24Å; I758-A762 WeakPolarHBondContact O-CB 3.38Å; I758-A762 PolarHBondContact O-N 3.07Å
759M93.6Very high88.7Confident35 Ų3550.9 Ų50.917%0.17226%0.262CS..Hα-helixtrans-59.6-43177.4-67.4169.86800112.5T533 H675 I677 N755 F756 N757 G763 S764 K765T533-M759 HydrophobicContact CG2-CG 4.24Å; H675-M759 WeakPolarHBondContact NE2-CG 3.32Å; I677-M759 HydrophobicContact CD1-SD 4.26Å; N755-M759 WeakPolarHBondContact O-CG 3.36Å; N755-M759 PolarHBondContact O-N 2.72Å; F756-M759 PolarHBondContact O-N 3.23Å; N757-M759 PolarHBondContact O-N 3.14Å; M759-G763 PolarHBondContact O-N 3.14Å; M759-S764 PolarHBondContact O-N 3.22Å; M759-S764 VanDerWaalsContact O-N 3.15Å; M759-S764 PolarHBondContact O-OG 3.26Å; M759-K765 HydrophobicContact CE-CB 3.93Å
760V91.4Very high89Confident19 Ų1951.4 Ų51.412%0.11526%0.261CS..Hα-helixtrans-71-36.4179.3172.80000112.2F756 N757 I758 G763 I771F756-V760 HydrophobicContact CE2-CG2 4.48Å; F756-V760 WeakPolarHBondContact O-CG2 3.38Å; F756-V760 PolarHBondContact O-N 2.98Å; N757-V760 PolarHBondContact O-N 2.88Å; I758-V760 PolarHBondContact O-N 3.26Å; V760-G763 PolarHBondContact O-N 3.37Å; V760-I771 HydrophobicContact CB-CD1 4.05Å; V760-I771 HydrophobicContact CG1-CD1 4.04Å; V760-I771 HydrophobicContact CG2-CD1 3.91Å; V760-I771 HydrophobicContact CG2-CG1 4.2Å
761V91.2Very high89.1Confident26 Ų2650.6 Ų50.616%0.15826%0.257CS..Hα-helixtrans-71.4-42.8176.5169.10000111.5H596 S597 T598 N757 I758 G763H596-V761 VanDerWaalsContact NE2-CG1 3.32Å; H596-V761 WeakPolarHBondContact NE2-CG1 3.48Å; S597-V761 VanDerWaalsContact CB-O 3.27Å; S597-V761 WeakPolarHBondContact CB-O 3.48Å; S597-V761 PolarHBondContact OG-O 3.14Å; T598-V761 HydrophobicContact CG2-CG1 4.25Å; T598-V761 HydrophobicContact CG2-CG2 4.27Å; N757-V761 WeakPolarHBondContact O-CB 3.27Å; N757-V761 VanDerWaalsContact O-CG2 3.3Å; N757-V761 WeakPolarHBondContact O-CG2 3.47Å; N757-V761 PolarHBondContact O-N 3.29Å; I758-V761 PolarHBondContact O-N 3.42Å; V761-G763 VanDerWaalsContact C-N 3.26Å; V761-G763 PolarHBondContact O-N 3.43Å
762A92.6Very high89.2Confident0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-61.5-36.2171.200000111.8N536 C631 K632 I758N536-A762 HydrophobicContact CB-CB 3.51Å; C631-A762 WeakPolarHBondContact CB-O 3.33Å; K632-A762 WeakPolarHBondContact CB-O 3.46Å; K632-A762 PolarHBondContact N-O 2.99Å; I758-A762 VanDerWaalsContact O-CB 3.24Å; I758-A762 WeakPolarHBondContact O-CB 3.38Å; I758-A762 PolarHBondContact O-N 3.07Å
763G91.6Very high89.5Confident18 Ų1845 Ų4519%0.18623%0.226CC..THydrogen-bonded Turntrans84.122.9-176.900000113.6M759 V760 V761M759-G763 PolarHBondContact O-N 3.14Å; V760-G763 PolarHBondContact O-N 3.37Å; V761-G763 VanDerWaalsContact C-N 3.26Å; V761-G763 PolarHBondContact O-N 3.43Å
764S91.4Very high89.8Confident19 Ų1938.3 Ų38.313%0.13320%0.204CC..SBendtrans-76.9-47-179520000112.7Q529 T533 M759Q529-S764 VanDerWaalsContact O-CB 3.32Å; Q529-S764 WeakPolarHBondContact O-CB 3.36Å; T533-S764 WeakPolarHBondContact OG1-CB 3.47Å; T533-S764 PolarHBondContact OG1-OG 2.74Å; M759-S764 PolarHBondContact O-N 3.22Å; M759-S764 VanDerWaalsContact O-N 3.15Å; M759-S764 PolarHBondContact O-OG 3.26Å
765K90.1Very high89.7Confident150 Ų15037.8 Ų37.865%0.65220%0.201SC*.SBendtrans-154.2152.1173-16373.6173.9-171.20110.3M759M759-K765 HydrophobicContact CE-CB 3.93Å
766G83.7Confident89.6Confident37 Ų3736.6 Ų36.638%0.38120%0.195SC..  trans79.5174-177.200000113.5
767S86Confident89.6Confident51 Ų5135.6 Ų35.636%0.35719%0.19SC..  trans-156.3174.3179.767.60000110.5I769 N770 I771S767-I769 VanDerWaalsContact C-N 3.25Å; S767-I769 PolarHBondContact O-N 3.18Å; S767-I769 WeakPolarHBondContact OG-CG2 3.26Å; S767-N770 PolarHBondContact N-OD1 3.42Å; S767-N770 WeakPolarHBondContact O-CB 3.4Å; S767-N770 PolarHBondContact O-N 2.94Å; S767-N770 PolarHBondContact OG-OD1 3.3Å; S767-I771 PolarHBondContact O-N 3.48Å
768R83.7Confident89.6Confident162 Ų16234.8 Ų34.861%0.61119%0.186SC*.Hα-helixtrans-58.4-33.1-176.7-60.2-177-174.8-177.20.7113.4Q747 N770 I771 S772Q747-R768 VanDerWaalsContact OE1-CD 3.26Å; R768-N770 VanDerWaalsContact C-N 3.34Å; R768-N770 PolarHBondContact O-N 3.47Å; R768-I771 PolarHBondContact O-N 2.92Å; R768-S772 PolarHBondContact O-N 3.23Å; R768-S772 VanDerWaalsContact O-N 3.07Å
769I85.5Confident89.5Confident56 Ų5634 Ų3429%0.28718%0.182SC..Hα-helixtrans-66.5-35.4175.5-162177.5000111.7S767 S772 Q773S767-I769 VanDerWaalsContact C-N 3.25Å; S767-I769 PolarHBondContact O-N 3.18Å; S767-I769 WeakPolarHBondContact OG-CG2 3.26Å; I769-S772 VanDerWaalsContact O-CB 3.32Å; I769-S772 WeakPolarHBondContact O-CB 3.24Å; I769-S772 PolarHBondContact O-N 3.44Å; I769-S772 VanDerWaalsContact O-N 3.17Å; I769-Q773 HydrophobicContact CG1-CG 4.28Å; I769-Q773 VanDerWaalsContact O-CG 3.29Å; I769-Q773 WeakPolarHBondContact O-CG 3.14Å; I769-Q773 PolarHBondContact O-N 3.33Å
770N89.4Confident89.4Confident52 Ų5232.8 Ų32.828%0.27818%0.176SC..Hα-helixtrans-69.2-38.5179.4-52.3113.8000111.1F756 S767 R768 S772 Q773 V774F756-N770 HydrophobicContact CZ-CB 4.11Å; S767-N770 PolarHBondContact N-OD1 3.42Å; S767-N770 WeakPolarHBondContact O-CB 3.4Å; S767-N770 PolarHBondContact O-N 2.94Å; S767-N770 PolarHBondContact OG-OD1 3.3Å; R768-N770 VanDerWaalsContact C-N 3.34Å; R768-N770 PolarHBondContact O-N 3.47Å; N770-S772 VanDerWaalsContact C-N 3.33Å; N770-Q773 PolarHBondContact O-N 3.23Å; N770-V774 WeakPolarHBondContact O-CB 3.36Å; N770-V774 VanDerWaalsContact O-CG2 3.27Å; N770-V774 WeakPolarHBondContact O-CG2 3.45Å; N770-V774 PolarHBondContact O-N 3.45Å
771I88.3Confident89.3Confident0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-58.2-47.5169.5-62.7175.9000109.9Q747 L750 F756 V760 S767 R768 Q773 I775Q747-I771 HydrophobicContact CG-CD1 4.35Å; L750-I771 HydrophobicContact CD1-CD1 4.36Å; L750-I771 HydrophobicContact CD1-CG2 3.91Å; F756-I771 HydrophobicContact CD1-CG1 4.03Å; F756-I771 HydrophobicContact CE1-CB 4.32Å; F756-I771 HydrophobicContact CE1-CG1 3.78Å; F756-I771 HydrophobicContact CZ-CG1 4.09Å; V760-I771 HydrophobicContact CB-CD1 4.05Å; V760-I771 HydrophobicContact CG1-CD1 4.04Å; V760-I771 HydrophobicContact CG2-CD1 3.91Å; V760-I771 HydrophobicContact CG2-CG1 4.2Å; S767-I771 PolarHBondContact O-N 3.48Å; R768-I771 PolarHBondContact O-N 2.92Å; I771-Q773 PolarHBondContact O-N 3.42Å; I771-I775 HydrophobicContact CG2-CD1 4Å; I771-I775 VanDerWaalsContact O-CB 3.29Å; I771-I775 WeakPolarHBondContact O-CB 3.28Å; I771-I775 WeakPolarHBondContact O-CG1 3.3Å; I771-I775 PolarHBondContact O-N 2.76Å
772S88.4Confident88.9Confident4 Ų431.8 Ų31.83%0.02817%0.169CC..Iπ-helixtrans-57.7-46.6177.5-166.60000113.1R739 G743 R768 I769 N770 A776 C777R739-S772 PolarHBondContact O-OG 2.92Å; G743-S772 WeakPolarHBondContact CA-OG 3.13Å; G743-S772 PolarHBondContact N-OG 3.32Å; R768-S772 PolarHBondContact O-N 3.23Å; R768-S772 VanDerWaalsContact O-N 3.07Å; I769-S772 VanDerWaalsContact O-CB 3.32Å; I769-S772 WeakPolarHBondContact O-CB 3.24Å; I769-S772 PolarHBondContact O-N 3.44Å; I769-S772 VanDerWaalsContact O-N 3.17Å; N770-S772 VanDerWaalsContact C-N 3.33Å; S772-A776 CarbonylContact O-C 3.5Å; S772-A776 WeakPolarHBondContact O-CA 3.48Å; S772-A776 WeakPolarHBondContact O-CB 3.46Å; S772-A776 PolarHBondContact O-N 3.44Å; S772-C777 PolarHBondContact O-N 2.88Å
773Q89.5Confident88.4Confident39 Ų3933.4 Ų33.418%0.18218%0.178CC..Iπ-helixtrans-75.1-35.9-174.3-67176.5-43.200113.2I769 N770 I771 C777 S816 Y817I769-Q773 HydrophobicContact CG1-CG 4.28Å; I769-Q773 VanDerWaalsContact O-CG 3.29Å; I769-Q773 WeakPolarHBondContact O-CG 3.14Å; I769-Q773 PolarHBondContact O-N 3.33Å; N770-Q773 PolarHBondContact O-N 3.23Å; I771-Q773 PolarHBondContact O-N 3.42Å; Q773-C777 WeakPolarHBondContact CA-O 3.29Å; Q773-S816 WeakPolarHBondContact O-CA 3.21Å; Q773-S816 WeakPolarHBondContact O-CB 3.32Å; Q773-Y817 HydrophobicContact CB-CD2 4.28Å; Q773-Y817 HydrophobicContact CB-CE2 3.91Å; Q773-Y817 PolarHBondContact O-N 3.24Å; Q773-Y817 VanDerWaalsContact O-N 3.12Å
774V91.7Very high87.5Confident37 Ų3739.6 Ų39.622%0.22420%0.203CC..Iπ-helixtrans-75-40178.3174.20000111.4T682 F756 N770 S816 Y817 L818T682-V774 HydrophobicContact CG2-CG1 3.54Å; F756-V774 HydrophobicContact CE1-CB 4.25Å; F756-V774 HydrophobicContact CE1-CG1 4.48Å; F756-V774 HydrophobicContact CE1-CG2 4.45Å; F756-V774 HydrophobicContact CZ-CG2 4.47Å; N770-V774 WeakPolarHBondContact O-CB 3.36Å; N770-V774 VanDerWaalsContact O-CG2 3.27Å; N770-V774 WeakPolarHBondContact O-CG2 3.45Å; N770-V774 PolarHBondContact O-N 3.45Å; V774-S816 WeakPolarHBondContact O-CB 3.3Å; V774-S816 PolarHBondContact O-OG 3.42Å; V774-Y817 HydrophobicContact CG2-CD2 4.1Å; V774-L818 VanDerWaalsContact O-CB 3.26Å; V774-L818 WeakPolarHBondContact O-CB 2.95Å; V774-L818 PolarHBondContact O-N 2.99Å
775I90.5Very high86.3Confident0 Ų040.3 Ų40.30%021%0.213CC..Iπ-helixtrans-98.4-50.1-171.3-55.4-169.2000112.3Y684 A746 L750 I771 S816Y684-I775 HydrophobicContact CD1-CG2 3.42Å; Y684-I775 VanDerWaalsContact CD1-CG2 3.42Å; Y684-I775 HydrophobicContact CE1-CG2 4Å; Y684-I775 WeakPolarHBondContact CE1-O 3.46Å; Y684-I775 HydrophobicContact CG-CG2 4Å; A746-I775 HydrophobicContact CB-CB 4.33Å; A746-I775 HydrophobicContact CB-CG2 4Å; L750-I775 HydrophobicContact CD1-CD1 3.99Å; L750-I775 HydrophobicContact CD2-CD1 3.82Å; L750-I775 HydrophobicContact CG-CD1 4.32Å; I771-I775 HydrophobicContact CG2-CD1 4Å; I771-I775 VanDerWaalsContact O-CB 3.29Å; I771-I775 WeakPolarHBondContact O-CB 3.28Å; I771-I775 WeakPolarHBondContact O-CG1 3.3Å; I771-I775 PolarHBondContact O-N 2.76Å; I775-S816 VanDerWaalsContact C-CB 3.5Å; I775-S816 WeakPolarHBondContact O-CB 3.22Å; I775-S816 PolarHBondContact O-OG 3.07Å; I775-S816 VanDerWaalsContact O-OG 3.06Å
776A89.6Confident85.8Confident5 Ų539.3 Ų39.34%0.04121%0.208CC..Iπ-helixtrans-97.7-68.8-165.100000114.4I692 A746 S772I692-A776 HydrophobicContact CD1-CB 3.85Å; I692-A776 HydrophobicContact CG1-CB 4.45Å; I692-A776 HydrophobicContact CG2-CB 4.38Å; A746-A776 HydrophobicContact CB-CB 4.11Å; S772-A776 CarbonylContact O-C 3.5Å; S772-A776 WeakPolarHBondContact O-CA 3.48Å; S772-A776 WeakPolarHBondContact O-CB 3.46Å; S772-A776 PolarHBondContact O-N 3.44Å
777C90.5Very high86Confident0 Ų037.6 Ų37.60%019%0.19CC..  trans-161.6147.7174.562.80000111I696 T742 S772 Q773 E814I696-C777 HydrophobicContact CD1-CB 4.16Å; T742-C777 PolarHBondContact OG1-SG 2.88Å; S772-C777 PolarHBondContact O-N 2.88Å; Q773-C777 WeakPolarHBondContact CA-O 3.29Å; C777-E814 WeakPolarHBondContact CB-O 3.38Å
778V90.9Very high86.3Confident3 Ų335.2 Ų35.22%0.01817%0.174CC..  trans-73-38.2178.6178.80000111.7V813 N815 Y817 L821V778-V813 HydrophobicContact CB-CB 4Å; V778-V813 HydrophobicContact CB-CG1 3.7Å; V778-V813 HydrophobicContact CG1-CB 4.49Å; V778-V813 HydrophobicContact CG1-CG1 4.45Å; V778-V813 HydrophobicContact CG2-CG1 4.15Å; V778-N815 PolarHBondContact N-O 3.08Å; V778-Y817 HydrophobicContact CG2-CD1 3.99Å; V778-Y817 HydrophobicContact CG2-CD2 4.33Å; V778-Y817 HydrophobicContact CG2-CE1 3.76Å; V778-Y817 HydrophobicContact CG2-CE2 4.14Å; V778-Y817 HydrophobicContact CG2-CG 4.27Å; V778-L821 HydrophobicContact CG2-CD2 4.31Å
779G90.7Very high86.6Confident0 Ų030.9 Ų30.90%017%0.167CC..EExtended strand (participates in β ladder)trans93.3-169.3175.200000115.3Q781 V813G779-Q781 PolarHBondContact O-N 3.24Å; G779-Q781 PolarHBondContact O-NE2 3.43Å; G779-V813 WeakPolarHBondContact CA-O 3.49Å; G779-V813 PolarHBondContact N-O 3.07Å; G779-V813 WeakPolarHBondContact O-CB 3.28Å; G779-V813 PolarHBondContact O-N 3.09Å
780Q89.9Confident87Confident10 Ų1030.3 Ų30.35%0.04716%0.162CC..EExtended strand (participates in β ladder)trans-65.1124.5-175.7-178.262.759.500112.7L735 R787 R810 G811 F812L735-Q780 VanDerWaalsContact CD1-OE1 3.24Å; Q780-R787 HydrophobicContact CG-CG 4.16Å; Q780-R810 PolarHBondContact NE2-O 3.37Å; Q780-G811 PolarHBondContact NE2-O 2.93Å; Q780-F812 HydrophobicContact CB-CD2 4.18Å
781Q89.8Confident87Confident20 Ų2031.1 Ų31.19%0.09318%0.182CC..  trans-88.1130.1169.7-51.5-54.4-67.400109.5G779 I788 G811 V813 H829G779-Q781 PolarHBondContact O-N 3.24Å; G779-Q781 PolarHBondContact O-NE2 3.43Å; Q781-I788 HydrophobicContact CB-CD1 4.3Å; Q781-G811 WeakPolarHBondContact CB-O 3.36Å; Q781-G811 WeakPolarHBondContact CG-O 3.41Å; Q781-G811 PolarHBondContact N-O 2.83Å; Q781-V813 HydrophobicContact CG-CG2 3.73Å; Q781-H829 HydrophobicContact CG-CB 4.37Å; Q781-H829 PolarHBondContact OE1-ND1 3.26Å
782N83.4Confident87.2Confident4 Ų436.1 Ų36.12%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-120152178.6-72.4-43.1000110.7K786 R787 G1101N782-K786 CarbonylContact C-O 3.25Å; N782-K786 WeakPolarHBondContact CA-O 3.4Å; N782-K786 WeakPolarHBondContact CB-O 3.47Å; N782-K786 PolarHBondContact OD1-O 3.05Å; N782-K786 VanDerWaalsContact OD1-O 3.14Å; N782-R787 VanDerWaalsContact OD1-CA 3.23Å; N782-R787 WeakPolarHBondContact OD1-CA 3.27Å; N782-R787 PolarHBondContact OD1-N 3.12Å; N782-G1101 PolarHBondContact ND2-O 2.83Å
783V81Confident87.4Confident34 Ų3445.4 Ų45.421%0.20624%0.239CC..EExtended strand (participates in β ladder)trans-133.4130.2173.51730000107.2G785 K786 I788 M831 E835V783-G785 PolarHBondContact O-N 3.11Å; V783-K786 PolarHBondContact N-O 3.07Å; V783-K786 PolarHBondContact O-N 3.48Å; V783-K786 VanDerWaalsContact O-O 3.09Å; V783-I788 HydrophobicContact CG2-CD1 3.8Å; V783-M831 HydrophobicContact CG2-CB 4.27Å; V783-E835 WeakPolarHBondContact CA-OE2 3.36Å
784E72.7Confident87.5Confident149 Ų14948 Ų4870%0.69625%0.251SS*.THydrogen-bonded Turntrans52.234-172.5-58.7-175.2164.300113.3K786 E835E784-K786 VanDerWaalsContact C-N 3.26Å; E784-K786 PolarHBondContact O-N 3.09Å; E784-E835 WeakPolarHBondContact CA-OE1 3.32Å; E784-E835 PolarHBondContact N-OE1 3.13Å; E784-E835 PolarHBondContact N-OE2 3.28Å
785G68.1Low87.6Confident33 Ų3349.5 Ų49.534%0.3425%0.252SS..THydrogen-bonded Turntrans67.918.8-176.400000114.9V783 S1103V783-G785 PolarHBondContact O-N 3.11Å; G785-S1103 WeakPolarHBondContact O-CB 3.25Å; G785-S1103 PolarHBondContact O-OG 3.46Å
786K77.8Confident87.8Confident130 Ų13049.7 Ų49.757%0.56525%0.254SS*.EExtended strand (participates in β ladder)trans-126156.4175.7-62165.3-166.3148.40110.3N782 V783 E784N782-K786 CarbonylContact C-O 3.25Å; N782-K786 WeakPolarHBondContact CA-O 3.4Å; N782-K786 WeakPolarHBondContact CB-O 3.47Å; N782-K786 PolarHBondContact OD1-O 3.05Å; N782-K786 VanDerWaalsContact OD1-O 3.14Å; V783-K786 PolarHBondContact N-O 3.07Å; V783-K786 PolarHBondContact O-N 3.48Å; V783-K786 VanDerWaalsContact O-O 3.09Å; E784-K786 VanDerWaalsContact C-N 3.26Å; E784-K786 PolarHBondContact O-N 3.09Å
787R88.5Confident88Confident0 Ų050.2 Ų50.20%026%0.256CS..EExtended strand (participates in β ladder)trans-59.8144168.4-57.6-168.2-63.1150.21.8109.7E728 N732 Q780 N782 Y805 R810E728-R787 IonicContact OE1-CZ 3.27Å; E728-R787 IonicContact OE1-NE 3.22Å; E728-R787 IonicContact OE1-NH2 2.77Å; E728-R787 PolarHBondContact OE1-NH2 3.13Å; E728-R787 IonicContact OE2-CZ 2.72Å; E728-R787 IonicContact OE2-NE 3Å; E728-R787 PolarHBondContact OE2-NE 2.56Å; E728-R787 IonicContact OE2-NH2 2.74Å; E728-R787 PolarHBondContact OE2-NH2 2.83Å; N732-R787 VanDerWaalsContact OD1-CG 3.29Å; N732-R787 WeakPolarHBondContact OD1-CG 3.37Å; Q780-R787 HydrophobicContact CG-CG 4.16Å; N782-R787 VanDerWaalsContact OD1-CA 3.23Å; N782-R787 WeakPolarHBondContact OD1-CA 3.27Å; N782-R787 PolarHBondContact OD1-N 3.12Å; R787-Y805 PolarHBondContact NH1-O 3.48Å; R787-Y805 PolarHBondContact NH2-O 2.78Å; R787-R810 HydrophobicContact CB-CB 4.09Å; R787-R810 PolarHBondContact O-NH2 2.68Å
788I91.8Very high88.2Confident2 Ų253.3 Ų53.31%0.0128%0.275CS..  trans-36.1119.3-171.4-58.1-61.2000111.7Q781 V783 T796 R810 F828 M831Q781-I788 HydrophobicContact CB-CD1 4.3Å; V783-I788 HydrophobicContact CG2-CD1 3.8Å; I788-T796 HydrophobicContact CB-CG2 4.36Å; I788-T796 HydrophobicContact CG2-CG2 4.01Å; I788-T796 WeakPolarHBondContact O-CG2 3.39Å; I788-R810 PolarHBondContact N-O 2.71Å; I788-R810 PolarHBondContact O-NE 2.92Å; I788-R810 PolarHBondContact O-NH2 3.23Å; I788-F828 HydrophobicContact CB-CD1 4.3Å; I788-F828 HydrophobicContact CB-CE1 4.49Å; I788-F828 HydrophobicContact CD1-CB 4.35Å; I788-F828 HydrophobicContact CD1-CD1 4.46Å; I788-F828 HydrophobicContact CG1-CB 4.12Å; I788-F828 HydrophobicContact CG1-CD1 3.89Å; I788-F828 HydrophobicContact CG1-CG 4.09Å; I788-F828 HydrophobicContact CG2-CD1 3.8Å; I788-F828 HydrophobicContact CG2-CE1 3.82Å; I788-M831 HydrophobicContact CD1-CB 4.32Å; I788-M831 HydrophobicContact CD1-SD 4.45Å; I788-M831 HydrophobicContact CG2-SD 4.1Å
789P90.6Very high88.4Confident71 Ų7160.1 Ų60.146%0.46131%0.307SS..  trans-69.7157.8-175.228.3-35.1000112.1G791P789-G791 PolarHBondContact O-N 2.81Å
790F94Very high88.6Confident44 Ų4461.5 Ų61.519%0.19331%0.313CS..  trans-70.391.2171.6-66.9-26.2000110.4R795 T796 D804 Y805 R810F790-R795 CarbonylContact C-O 3.51Å; F790-R795 WeakPolarHBondContact CA-O 3.19Å; F790-T796 HydrophobicContact CD1-CG2 3.7Å; F790-T796 HydrophobicContact CE1-CG2 4.11Å; F790-D804 WeakPolarHBondContact CE1-O 3.39Å; F790-D804 WeakPolarHBondContact CZ-O 3.25Å; F790-Y805 AromaticContact CE2-CE1 3.89Å; F790-Y805 HydrophobicContact CE2-CE1 3.89Å; F790-Y805 HydrophobicContact CE2-CE2 4.26Å; F790-Y805 AromaticContact CE2-CZ 3.67Å; F790-Y805 HydrophobicContact CZ-CD1 4.21Å; F790-Y805 AromaticContact CZ-CE1 3.93Å; F790-Y805 HydrophobicContact CZ-CE1 3.93Å; F790-Y805 HydrophobicContact CZ-CE2 4.33Å; F790-Y805 AromaticContact CZ-CZ 3.98Å; F790-R810 VanDerWaalsContact CE1-CD 3.49Å; F790-R810 VanDerWaalsContact CE1-NH1 3.29Å
791G90.1Very high88.8Confident68 Ų6867 Ų6770%0.70134%0.341SS*.  trans-75.8-21.5177.400000114.1P789 R795P789-G791 PolarHBondContact O-N 2.81Å; G791-R795 PolarHBondContact N-O 3.43Å
792F92.7Very high89Confident106 Ų10671.1 Ų71.147%0.46536%0.36SS..BIsolated β-bridgetrans-105.1171.1169.9-62.1-92.2000110H794 R795 T796 L797F792-H794 PolarHBondContact O-N 3.37Å; F792-R795 HydrophobicContact CB-CG 3.8Å; F792-R795 PolarHBondContact N-O 3.07Å; F792-R795 PolarHBondContact O-N 2.89Å; F792-T796 WeakPolarHBondContact CD2-O 3.38Å; F792-L797 HydrophobicContact CE2-CD2 4.31Å
793R92.1Very high89.4Confident199 Ų19974.3 Ų74.375%0.75138%0.378SS*.THydrogen-bonded Turntrans-51103.6174.5-177.1177.8179.1170.31.2110.6R795R793-R795 PolarHBondContact O-N 3.4Å
794H91.8Very high90Very high93 Ų9374.5 Ų74.543%0.43138%0.377SS..THydrogen-bonded Turntrans56.223.8179.2-67.9-103.6000115.9F792 Q802 D803F792-H794 PolarHBondContact O-N 3.37Å; H794-Q802 HydrophobicContact CB-CB 4.06Å; H794-Q802 HydrophobicContact CB-CG 4.37Å; H794-D803 IonicContact CE1-OD1 3.63Å; H794-D803 IonicContact CG-OD1 3.59Å; H794-D803 IonicContact CG-OD2 3.16Å; H794-D803 IonicContact ND1-OD1 2.73Å; H794-D803 PolarHBondContact ND1-OD1 2.99Å; H794-D803 IonicContact ND1-OD2 2.81Å; H794-D803 PolarHBondContact ND1-OD2 3.41Å; H794-D803 VanDerWaalsContact ND1-OD2 3.1Å; H794-D803 PolarHBondContact O-N 3.08Å
795R93.8Very high90.9Very high69 Ų6969.4 Ų69.426%0.2635%0.352SS..BIsolated β-bridgetrans-155.6159.8179.162.7-168.5174.2154.83.2113.6F790 G791 F792 R793 L797 P798 F800 I801F790-R795 CarbonylContact C-O 3.51Å; F790-R795 WeakPolarHBondContact CA-O 3.19Å; G791-R795 PolarHBondContact N-O 3.43Å; F792-R795 HydrophobicContact CB-CG 3.8Å; F792-R795 PolarHBondContact N-O 3.07Å; F792-R795 PolarHBondContact O-N 2.89Å; R793-R795 PolarHBondContact O-N 3.4Å; R795-L797 WeakPolarHBondContact CD-O 3.27Å; R795-P798 PolarHBondContact NH1-O 2.93Å; R795-F800 VanDerWaalsContact CD-O 3.26Å; R795-F800 WeakPolarHBondContact CD-O 3.31Å; R795-F800 PolarHBondContact NH1-O 3.35Å; R795-I801 WeakPolarHBondContact CB-O 3.4Å
796T93.8Very high92.1Very high4 Ų468 Ų683%0.02534%0.338CS..SBendtrans-81.3-39.7-179.251.40000113.1I788 F790 F792 F800 S809I788-T796 HydrophobicContact CB-CG2 4.36Å; I788-T796 HydrophobicContact CG2-CG2 4.01Å; I788-T796 WeakPolarHBondContact O-CG2 3.39Å; F790-T796 HydrophobicContact CD1-CG2 3.7Å; F790-T796 HydrophobicContact CE1-CG2 4.11Å; F792-T796 WeakPolarHBondContact CD2-O 3.38Å; T796-F800 WeakPolarHBondContact OG1-CD2 3.47Å; T796-S809 VanDerWaalsContact CB-O 3.27Å; T796-S809 WeakPolarHBondContact CB-O 3.36Å; T796-S809 WeakPolarHBondContact CG2-O 3.47Å; T796-S809 PolarHBondContact OG1-O 3.06Å; T796-S809 PolarHBondContact OG1-OG 3.17Å
797L94.9Very high92.8Very high16 Ų1661.9 Ų61.98%0.08431%0.311CS..SBendtrans-138.5158.9177.4-71.7177.3000110.8F792 R795 H799 F800 T824 F827 F828F792-L797 HydrophobicContact CE2-CD2 4.31Å; R795-L797 WeakPolarHBondContact CD-O 3.27Å; L797-H799 PolarHBondContact O-N 2.95Å; L797-H799 VanDerWaalsContact O-N 3.13Å; L797-F800 HydrophobicContact CB-CD2 3.93Å; L797-F800 HydrophobicContact CB-CE2 4.21Å; L797-F800 HydrophobicContact CD1-CE2 4.26Å; L797-F800 PolarHBondContact O-N 3.28Å; L797-T824 HydrophobicContact CD1-CG2 3.95Å; L797-F827 HydrophobicContact CD1-CD1 4.25Å; L797-F827 HydrophobicContact CD2-CD1 3.75Å; L797-F827 HydrophobicContact CD2-CE1 3.7Å; L797-F827 HydrophobicContact CG-CD1 4.49Å; L797-F828 HydrophobicContact CD1-CE1 3.75Å; L797-F828 HydrophobicContact CD1-CE2 4.28Å; L797-F828 HydrophobicContact CD1-CZ 3.59Å; L797-F828 HydrophobicContact CG-CE1 3.79Å; L797-F828 HydrophobicContact CG-CZ 3.83Å
798P94.5Very high93Very high64 Ų6466.5 Ų66.542%0.41633%0.333SS..THydrogen-bonded Turntrans-64.3-14.2176.327.3-36.5000114.3R795R795-P798 PolarHBondContact NH1-O 2.93Å
799H94.1Very high93.1Very high147 Ų14766.4 Ų66.468%0.68133%0.332SS*.THydrogen-bonded Turntrans-77.2-21.5177.5-54.1-68.2000113.9L797L797-H799 PolarHBondContact O-N 2.95Å; L797-H799 VanDerWaalsContact O-N 3.13Å
800F94.7Very high93.2Very high28 Ų2863.7 Ų63.712%0.12331%0.313CS..SBendtrans-94.8157.1178.6-62.3-72.4000111.5R795 T796 L797 D804 E808 T824 F828R795-F800 VanDerWaalsContact CD-O 3.26Å; R795-F800 WeakPolarHBondContact CD-O 3.31Å; R795-F800 PolarHBondContact NH1-O 3.35Å; T796-F800 WeakPolarHBondContact OG1-CD2 3.47Å; L797-F800 HydrophobicContact CB-CD2 3.93Å; L797-F800 HydrophobicContact CB-CE2 4.21Å; L797-F800 HydrophobicContact CD1-CE2 4.26Å; L797-F800 PolarHBondContact O-N 3.28Å; F800-D804 HydrophobicContact CB-CB 4.49Å; F800-E808 HydrophobicContact CE1-CB 4.39Å; F800-T824 HydrophobicContact CE2-CG2 4.02Å; F800-T824 HydrophobicContact CZ-CG2 3.98Å; F800-F828 HydrophobicContact CD2-CZ 4.44Å; F800-F828 AromaticContact CE2-CE2 3.84Å; F800-F828 HydrophobicContact CE2-CE2 3.84Å; F800-F828 AromaticContact CE2-CZ 3.73Å; F800-F828 HydrophobicContact CE2-CZ 3.73Å; F800-F828 HydrophobicContact CZ-CE2 4.25Å
801I94.1Very high93Very high125 Ų12561.6 Ų61.664%0.64130%0.304SS*.PPolyproline II helixtrans-69.6168170.764.8178.1000110.6R795 D804R795-I801 WeakPolarHBondContact CB-O 3.4Å; I801-D804 HydrophobicContact CG1-CB 3.84Å
802Q93.9Very high93.2Very high107 Ų10758.6 Ų58.650%0.527%0.271SS..THydrogen-bonded Turntrans-75144.9174.5-66.3-179.530.400110.2H794 D804H794-Q802 HydrophobicContact CB-CB 4.06Å; H794-Q802 HydrophobicContact CB-CG 4.37Å; Q802-D804 PolarHBondContact O-N 3.04Å
803D92.2Very high93.3Very high71 Ų7153.5 Ų53.538%0.3825%0.249SC..THydrogen-bonded Turntrans56.429.2-177.1-64.7-66.8000114.9H794 Y805H794-D803 IonicContact CE1-OD1 3.63Å; H794-D803 IonicContact CG-OD1 3.59Å; H794-D803 IonicContact CG-OD2 3.16Å; H794-D803 IonicContact ND1-OD1 2.73Å; H794-D803 PolarHBondContact ND1-OD1 2.99Å; H794-D803 IonicContact ND1-OD2 2.81Å; H794-D803 PolarHBondContact ND1-OD2 3.41Å; H794-D803 VanDerWaalsContact ND1-OD2 3.1Å; H794-D803 PolarHBondContact O-N 3.08Å; D803-Y805 HydrophobicContact CB-CE2 4.17Å; D803-Y805 WeakPolarHBondContact O-CD2 3.36Å; D803-Y805 WeakPolarHBondContact O-CE2 3Å; D803-Y805 PolarHBondContact O-N 2.78Å
804D92.9Very high93.3Very high38 Ų3847.1 Ų47.120%0.20323%0.228CC..  trans-72.9104.1172-171.1-16.8000111.7F790 F800 I801 Q802 G806 S809F790-D804 WeakPolarHBondContact CE1-O 3.39Å; F790-D804 WeakPolarHBondContact CZ-O 3.25Å; F800-D804 HydrophobicContact CB-CB 4.49Å; I801-D804 HydrophobicContact CG1-CB 3.84Å; Q802-D804 PolarHBondContact O-N 3.04Å; D804-G806 WeakPolarHBondContact OD1-CA 3.06Å; D804-G806 PolarHBondContact OD1-N 3.31Å; D804-S809 PolarHBondContact O-OG 2.85Å; D804-S809 WeakPolarHBondContact OD1-CB 3.33Å; D804-S809 WeakPolarHBondContact OD2-CB 3.44Å
805Y93Very high93.3Very high42 Ų4244.7 Ų44.717%0.16522%0.218CC..  trans-93.62.7175.4-70.3-81000114.5R724 F727 R787 F790 D803R724-Y805 PolarHBondContact NH2-OH 3.35Å; F727-Y805 AromaticContact CE1-CD1 3.89Å; F727-Y805 HydrophobicContact CE1-CD1 3.89Å; F727-Y805 HydrophobicContact CE1-CG 4.1Å; F727-Y805 HydrophobicContact CZ-CG 4.31Å; R787-Y805 PolarHBondContact NH1-O 3.48Å; R787-Y805 PolarHBondContact NH2-O 2.78Å; F790-Y805 AromaticContact CE2-CE1 3.89Å; F790-Y805 HydrophobicContact CE2-CE1 3.89Å; F790-Y805 HydrophobicContact CE2-CE2 4.26Å; F790-Y805 AromaticContact CE2-CZ 3.67Å; F790-Y805 HydrophobicContact CZ-CD1 4.21Å; F790-Y805 AromaticContact CZ-CE1 3.93Å; F790-Y805 HydrophobicContact CZ-CE1 3.93Å; F790-Y805 HydrophobicContact CZ-CE2 4.33Å; F790-Y805 AromaticContact CZ-CZ 3.98Å; D803-Y805 HydrophobicContact CB-CE2 4.17Å; D803-Y805 WeakPolarHBondContact O-CD2 3.36Å; D803-Y805 WeakPolarHBondContact O-CE2 3Å; D803-Y805 PolarHBondContact O-N 2.78Å
806G92.8Very high93.2Very high4 Ų441.5 Ų41.54%0.04121%0.206CC..SBendtrans-59.6161.9-17900000113.3D804 E808 R810D804-G806 WeakPolarHBondContact OD1-CA 3.06Å; D804-G806 PolarHBondContact OD1-N 3.31Å; G806-E808 VanDerWaalsContact C-N 3.33Å; G806-E808 PolarHBondContact O-N 2.96Å; G806-R810 WeakPolarHBondContact O-CB 3.47Å; G806-R810 WeakPolarHBondContact O-CG 3.43Å; G806-R810 PolarHBondContact O-N 3.35Å; G806-R810 VanDerWaalsContact O-N 3.17Å
807P93.3Very high93.2Very high1 Ų146.1 Ų46.11%0.00622%0.224CC..THydrogen-bonded Turntrans-59.6-43.4-177.321-29.2000112K700 L735 R810 G811 F812K700-P807 HydrophobicContact CD-CG 4.44Å; K700-P807 HydrophobicContact CG-CG 3.97Å; L735-P807 HydrophobicContact CD1-CB 4.39Å; L735-P807 HydrophobicContact CD2-CB 4.17Å; P807-R810 PolarHBondContact O-N 3.38Å; P807-G811 PolarHBondContact O-N 2.89Å; P807-F812 HydrophobicContact CB-CB 3.68Å; P807-F812 HydrophobicContact CB-CD1 4.27Å; P807-F812 HydrophobicContact CB-CG 4.13Å; P807-F812 VanDerWaalsContact O-CB 3.23Å; P807-F812 WeakPolarHBondContact O-CB 3.35Å; P807-F812 PolarHBondContact O-N 2.91Å
808E92.3Very high93Very high97 Ų9748 Ų4845%0.45323%0.234SC..THydrogen-bonded Turntrans-64.4-49.2-177.8-66.8166-153.800112.5K700 F800 G806 R810 G811 F828K700-E808 IonicContact NZ-OE1 3.57Å; K700-E808 PolarHBondContact NZ-OE1 2.91Å; F800-E808 HydrophobicContact CE1-CB 4.39Å; G806-E808 VanDerWaalsContact C-N 3.33Å; G806-E808 PolarHBondContact O-N 2.96Å; E808-R810 VanDerWaalsContact C-N 3.27Å; E808-R810 PolarHBondContact O-N 3.16Å; E808-G811 PolarHBondContact O-N 3.44Å; E808-F828 WeakPolarHBondContact O-CE2 3.41Å
809S93.2Very high92.7Very high0 Ų047.8 Ų47.80%024%0.238CC..THydrogen-bonded Turntrans-58.1-38.3175.21620000112.5T796 D804 F828T796-S809 VanDerWaalsContact CB-O 3.27Å; T796-S809 WeakPolarHBondContact CB-O 3.36Å; T796-S809 WeakPolarHBondContact CG2-O 3.47Å; T796-S809 PolarHBondContact OG1-O 3.06Å; T796-S809 PolarHBondContact OG1-OG 3.17Å; D804-S809 PolarHBondContact O-OG 2.85Å; D804-S809 WeakPolarHBondContact OD1-CB 3.33Å; D804-S809 WeakPolarHBondContact OD2-CB 3.44Å; S809-F828 VanDerWaalsContact O-CZ 3.28Å; S809-F828 WeakPolarHBondContact O-CZ 3.09Å
810R93.1Very high92.6Very high14 Ų1442.5 Ų42.55%0.05322%0.223CC..THydrogen-bonded Turntrans-95.314.4-172.3-59-57.1-56.3-113.9-9114.2Q780 R787 I788 F790 G806 P807 E808Q780-R810 PolarHBondContact NE2-O 3.37Å; R787-R810 HydrophobicContact CB-CB 4.09Å; R787-R810 PolarHBondContact O-NH2 2.68Å; I788-R810 PolarHBondContact N-O 2.71Å; I788-R810 PolarHBondContact O-NE 2.92Å; I788-R810 PolarHBondContact O-NH2 3.23Å; F790-R810 VanDerWaalsContact CE1-CD 3.49Å; F790-R810 VanDerWaalsContact CE1-NH1 3.29Å; G806-R810 WeakPolarHBondContact O-CB 3.47Å; G806-R810 WeakPolarHBondContact O-CG 3.43Å; G806-R810 PolarHBondContact O-N 3.35Å; G806-R810 VanDerWaalsContact O-N 3.17Å; P807-R810 PolarHBondContact O-N 3.38Å; E808-R810 VanDerWaalsContact C-N 3.27Å; E808-R810 PolarHBondContact O-N 3.16Å
811G90.8Very high92.6Very high0 Ų043.2 Ų43.20%023%0.228CC..THydrogen-bonded Turntrans87.225.3170.400000116Q780 Q781 P807 E808Q780-G811 PolarHBondContact NE2-O 2.93Å; Q781-G811 WeakPolarHBondContact CB-O 3.36Å; Q781-G811 WeakPolarHBondContact CG-O 3.41Å; Q781-G811 PolarHBondContact N-O 2.83Å; P807-G811 PolarHBondContact O-N 2.89Å; E808-G811 PolarHBondContact O-N 3.44Å
812F94.1Very high92.7Very high5 Ų540 Ų402%0.02221%0.214CC..EExtended strand (participates in β ladder)trans-74.4120.9162.8-174.6-101.4000109.9I696 L735 Q780 P807 E814I696-F812 HydrophobicContact CG2-CE1 4.28Å; L735-F812 HydrophobicContact CB-CD2 3.9Å; L735-F812 HydrophobicContact CB-CE2 3.93Å; L735-F812 HydrophobicContact CD1-CB 4.37Å; L735-F812 HydrophobicContact CD1-CD2 4.02Å; L735-F812 HydrophobicContact CD1-CG 4.43Å; L735-F812 HydrophobicContact CD2-CD2 3.75Å; L735-F812 HydrophobicContact CD2-CE2 3.87Å; L735-F812 HydrophobicContact CD2-CG 4.12Å; L735-F812 HydrophobicContact CD2-CZ 4.35Å; L735-F812 HydrophobicContact CG-CD2 4.09Å; L735-F812 HydrophobicContact CG-CE2 4.38Å; Q780-F812 HydrophobicContact CB-CD2 4.18Å; P807-F812 HydrophobicContact CB-CB 3.68Å; P807-F812 HydrophobicContact CB-CD1 4.27Å; P807-F812 HydrophobicContact CB-CG 4.13Å; P807-F812 VanDerWaalsContact O-CB 3.23Å; P807-F812 WeakPolarHBondContact O-CB 3.35Å; P807-F812 PolarHBondContact O-N 2.91Å; F812-E814 HydrophobicContact CD1-CB 4.2Å; F812-E814 HydrophobicContact CE1-CB 3.91Å
813V93.7Very high92.8Very high0 Ų040.3 Ų40.30%023%0.225CC..EExtended strand (participates in β ladder)trans-95.4106175.3-178.60000108.3V778 G779 Q781 L821 E825V778-V813 HydrophobicContact CB-CB 4Å; V778-V813 HydrophobicContact CB-CG1 3.7Å; V778-V813 HydrophobicContact CG1-CB 4.49Å; V778-V813 HydrophobicContact CG1-CG1 4.45Å; V778-V813 HydrophobicContact CG2-CG1 4.15Å; G779-V813 WeakPolarHBondContact CA-O 3.49Å; G779-V813 PolarHBondContact N-O 3.07Å; G779-V813 WeakPolarHBondContact O-CB 3.28Å; G779-V813 PolarHBondContact O-N 3.09Å; Q781-V813 HydrophobicContact CG-CG2 3.73Å; V813-L821 HydrophobicContact CG1-CD2 3.49Å; V813-L821 VanDerWaalsContact CG1-CD2 3.49Å; V813-E825 WeakPolarHBondContact CA-OE1 3.36Å; V813-E825 HydrophobicContact CB-CB 4.49Å; V813-E825 HydrophobicContact CB-CG 4.29Å; V813-E825 HydrophobicContact CG1-CB 4.08Å; V813-E825 HydrophobicContact CG1-CG 4.08Å; V813-E825 WeakPolarHBondContact CG1-OE1 3.4Å; V813-E825 HydrophobicContact CG2-CB 3.96Å; V813-E825 HydrophobicContact CG2-CG 4.09Å
814E92.5Very high92.9Very high65 Ų6538.6 Ų38.630%0.30422%0.217SC..  trans-80.2-29.7-18070.7173.5177.600112.1I696 K700 C777 F812 E825I696-E814 HydrophobicContact CG2-CB 4.22Å; K700-E814 WeakPolarHBondContact CE-OE2 3.47Å; K700-E814 IonicContact NZ-OE1 2.8Å; K700-E814 IonicContact NZ-OE2 2.69Å; K700-E814 PolarHBondContact NZ-OE2 3.06Å; C777-E814 WeakPolarHBondContact CB-O 3.38Å; F812-E814 HydrophobicContact CD1-CB 4.2Å; F812-E814 HydrophobicContact CE1-CB 3.91Å; E814-E825 PolarHBondContact N-OE1 3.3Å
815N92Very high93Very high42 Ų4237.4 Ų37.423%0.22521%0.21CC..SBendtrans-75.4156.1-179.4-69-64.2000111.7V778 A819 G820 L821 E825V778-N815 PolarHBondContact N-O 3.08Å; N815-A819 HydrophobicContact CB-CB 4.27Å; N815-G820 WeakPolarHBondContact CB-O 3.45Å; N815-L821 HydrophobicContact CB-CD2 4.38Å; N815-E825 PolarHBondContact N-OE1 3.14Å; N815-E825 PolarHBondContact ND2-OE1 3.08Å; N815-E825 PolarHBondContact ND2-OE2 3.25Å
816S91.9Very high93.1Very high2 Ų241.7 Ų41.71%0.01423%0.23CC..  trans-97.4164.117065.60000110.7Q773 V774 I775 L818 A819 G820Q773-S816 WeakPolarHBondContact O-CA 3.21Å; Q773-S816 WeakPolarHBondContact O-CB 3.32Å; V774-S816 WeakPolarHBondContact O-CB 3.3Å; V774-S816 PolarHBondContact O-OG 3.42Å; I775-S816 VanDerWaalsContact C-CB 3.5Å; I775-S816 WeakPolarHBondContact O-CB 3.22Å; I775-S816 PolarHBondContact O-OG 3.07Å; I775-S816 VanDerWaalsContact O-OG 3.06Å; S816-L818 PolarHBondContact O-N 2.8Å; S816-A819 PolarHBondContact O-N 2.83Å; S816-A819 PolarHBondContact OG-N 2.72Å; S816-G820 PolarHBondContact O-N 3.49Å
817Y92.8Very high93.2Very high101 Ų10146.1 Ų46.140%0.39625%0.248SC..THydrogen-bonded Turntrans-60.8-26.6175.7-62.4-54.4000113Q773 V774 V778 H829Q773-Y817 HydrophobicContact CB-CD2 4.28Å; Q773-Y817 HydrophobicContact CB-CE2 3.91Å; Q773-Y817 PolarHBondContact O-N 3.24Å; Q773-Y817 VanDerWaalsContact O-N 3.12Å; V774-Y817 HydrophobicContact CG2-CD2 4.1Å; V778-Y817 HydrophobicContact CG2-CD1 3.99Å; V778-Y817 HydrophobicContact CG2-CD2 4.33Å; V778-Y817 HydrophobicContact CG2-CE1 3.76Å; V778-Y817 HydrophobicContact CG2-CE2 4.14Å; V778-Y817 HydrophobicContact CG2-CG 4.27Å; Y817-H829 AromaticContact CE1-NE2 3.84Å; Y817-H829 AromaticContact CZ-NE2 3.94Å; Y817-H829 PolarHBondContact OH-CE1 2.86Å; Y817-H829 VanDerWaalsContact OH-CE1 3.25Å; Y817-H829 PolarHBondContact OH-NE2 2.92Å; Y817-H829 VanDerWaalsContact OH-NE2 3.14Å
818L90.7Very high93.3Very high54 Ų5446.1 Ų46.128%0.28325%0.248SC..THydrogen-bonded Turntrans-68.8-37.3171.8173.963.2000113I679 T682 L683 Y684 V774 S816I679-L818 HydrophobicContact CD1-CD1 3.65Å; I679-L818 HydrophobicContact CG1-CD1 4.23Å; T682-L818 VanDerWaalsContact O-CD2 3.32Å; T682-L818 WeakPolarHBondContact O-CD2 3.47Å; L683-L818 HydrophobicContact CD2-CD1 4.42Å; L683-L818 HydrophobicContact CD2-CD2 4.14Å; Y684-L818 HydrophobicContact CD1-CD2 4.34Å; Y684-L818 HydrophobicContact CE1-CD2 4.03Å; V774-L818 VanDerWaalsContact O-CB 3.26Å; V774-L818 WeakPolarHBondContact O-CB 2.95Å; V774-L818 PolarHBondContact O-N 2.99Å; S816-L818 PolarHBondContact O-N 2.8Å
819A89.2Confident93.3Very high61 Ų6143.9 Ų43.950%0.50424%0.238SC..THydrogen-bonded Turntrans-76.1-26.5178.100000112.7N815 S816N815-A819 HydrophobicContact CB-CB 4.27Å; S816-A819 PolarHBondContact O-N 2.83Å; S816-A819 PolarHBondContact OG-N 2.72Å
820G92.2Very high93.2Very high35 Ų3546.3 Ų46.336%0.36126%0.258SS..  trans87.1151.7-171.500000111.9N815 S816N815-G820 WeakPolarHBondContact CB-O 3.45Å; S816-G820 PolarHBondContact O-N 3.49Å
821L94.8Very high93.1Very high44 Ų4449.1 Ų49.123%0.2327%0.272CS..  trans-93.8140.4-178.7-55.8-173.1000110.8V778 V813 N815 E825 F826 H829V778-L821 HydrophobicContact CG2-CD2 4.31Å; V813-L821 HydrophobicContact CG1-CD2 3.49Å; V813-L821 VanDerWaalsContact CG1-CD2 3.49Å; N815-L821 HydrophobicContact CB-CD2 4.38Å; L821-E825 HydrophobicContact CB-CB 4.22Å; L821-F826 HydrophobicContact CB-CB 4.18Å; L821-H829 HydrophobicContact CD1-CB 4.24Å
822T95.2Very high92.8Very high57 Ų5749.4 Ų49.435%0.3528%0.276SS..  trans-66159.3166.460.10000111T824 E825 F826T822-T824 PolarHBondContact O-N 2.85Å; T822-T824 PolarHBondContact OG1-OG1 2.97Å; T822-E825 WeakPolarHBondContact CB-OE2 3.24Å; T822-E825 WeakPolarHBondContact CG2-OE2 3.07Å; T822-E825 PolarHBondContact N-OE2 3.01Å; T822-E825 PolarHBondContact O-N 3.06Å; T822-E825 WeakPolarHBondContact OG1-CB 3.47Å; T822-E825 VanDerWaalsContact OG1-CD 3.27Å; T822-E825 WeakPolarHBondContact OG1-CG 3.49Å; T822-E825 PolarHBondContact OG1-N 3.49Å; T822-E825 PolarHBondContact OG1-OE2 2.98Å; T822-F826 WeakPolarHBondContact O-CB 3.48Å; T822-F826 PolarHBondContact O-N 3.46Å
823P96Very high92.4Very high113 Ų11350.7 Ų50.773%0.73429%0.29SS*.Hα-helixtrans-58.6-32.8-178.8-27.436.2000114.5F827P823-F827 WeakPolarHBondContact O-CB 3.26Å; P823-F827 PolarHBondContact O-N 2.92Å
824T94.9Very high92.1Very high36 Ų3658.2 Ų58.222%0.22132%0.319CS..Hα-helixtrans-70.6-49.7175.144.90000111.3L797 F800 T822 F826 F827 F828L797-T824 HydrophobicContact CD1-CG2 3.95Å; F800-T824 HydrophobicContact CE2-CG2 4.02Å; F800-T824 HydrophobicContact CZ-CG2 3.98Å; T822-T824 PolarHBondContact O-N 2.85Å; T822-T824 PolarHBondContact OG1-OG1 2.97Å; T824-F826 VanDerWaalsContact C-N 3.35Å; T824-F826 PolarHBondContact O-N 2.74Å; T824-F827 PolarHBondContact O-N 3.15Å; T824-F828 WeakPolarHBondContact O-CD2 3.32Å; T824-F828 VanDerWaalsContact O-CG 3.31Å; T824-F828 WeakPolarHBondContact O-CG 3.4Å; T824-F828 PolarHBondContact O-N 3.06Å
825E94.8Very high91.5Very high12 Ų1257.5 Ų57.56%0.05632%0.315CS..Hα-helixtrans-57.8-44.6174.4-73.8173.1126.200112.1V813 E814 N815 L821 T822 F827 F828 H829V813-E825 WeakPolarHBondContact CA-OE1 3.36Å; V813-E825 HydrophobicContact CB-CB 4.49Å; V813-E825 HydrophobicContact CB-CG 4.29Å; V813-E825 HydrophobicContact CG1-CB 4.08Å; V813-E825 HydrophobicContact CG1-CG 4.08Å; V813-E825 WeakPolarHBondContact CG1-OE1 3.4Å; V813-E825 HydrophobicContact CG2-CB 3.96Å; V813-E825 HydrophobicContact CG2-CG 4.09Å; E814-E825 PolarHBondContact N-OE1 3.3Å; N815-E825 PolarHBondContact N-OE1 3.14Å; N815-E825 PolarHBondContact ND2-OE1 3.08Å; N815-E825 PolarHBondContact ND2-OE2 3.25Å; L821-E825 HydrophobicContact CB-CB 4.22Å; T822-E825 WeakPolarHBondContact CB-OE2 3.24Å; T822-E825 WeakPolarHBondContact CG2-OE2 3.07Å; T822-E825 PolarHBondContact N-OE2 3.01Å; T822-E825 PolarHBondContact O-N 3.06Å; T822-E825 WeakPolarHBondContact OG1-CB 3.47Å; T822-E825 VanDerWaalsContact OG1-CD 3.27Å; T822-E825 WeakPolarHBondContact OG1-CG 3.49Å; T822-E825 PolarHBondContact OG1-N 3.49Å; T822-E825 PolarHBondContact OG1-OE2 2.98Å; E825-F827 VanDerWaalsContact C-N 3.35Å; E825-F827 PolarHBondContact O-N 2.69Å; E825-F828 PolarHBondContact O-N 3.43Å; E825-H829 VanDerWaalsContact O-CB 3.25Å; E825-H829 WeakPolarHBondContact O-CB 3.36Å; E825-H829 PolarHBondContact O-N 3.25Å
826F95.5Very high90.7Very high133 Ų13355.5 Ų55.558%0.58331%0.305SS*.Hα-helixtrans-58.5-45.7177.3176.1-95.8000111.6L821 T822 T824 H829 A830L821-F826 HydrophobicContact CB-CB 4.18Å; T822-F826 WeakPolarHBondContact O-CB 3.48Å; T822-F826 PolarHBondContact O-N 3.46Å; T824-F826 VanDerWaalsContact C-N 3.35Å; T824-F826 PolarHBondContact O-N 2.74Å; F826-H829 PolarHBondContact O-N 2.96Å; F826-A830 WeakPolarHBondContact O-CB 3.47Å; F826-A830 PolarHBondContact O-N 2.99Å
827F95.1Very high90.3Very high96 Ų9659.9 Ų59.942%0.42133%0.328SS..Hα-helixtrans-67.2-41.4179.1-170.8-104.1000112.3L797 P823 T824 E825 A830 M831L797-F827 HydrophobicContact CD1-CD1 4.25Å; L797-F827 HydrophobicContact CD2-CD1 3.75Å; L797-F827 HydrophobicContact CD2-CE1 3.7Å; L797-F827 HydrophobicContact CG-CD1 4.49Å; P823-F827 WeakPolarHBondContact O-CB 3.26Å; P823-F827 PolarHBondContact O-N 2.92Å; T824-F827 PolarHBondContact O-N 3.15Å; E825-F827 VanDerWaalsContact C-N 3.35Å; E825-F827 PolarHBondContact O-N 2.69Å; F827-A830 PolarHBondContact O-N 2.7Å; F827-M831 HydrophobicContact CD1-CE 4.16Å; F827-M831 HydrophobicContact CD1-SD 4.19Å; F827-M831 HydrophobicContact CE1-CE 3.37Å; F827-M831 HydrophobicContact CE1-CG 4.47Å; F827-M831 HydrophobicContact CE1-SD 3.99Å; F827-M831 HydrophobicContact CZ-CE 3.94Å; F827-M831 WeakPolarHBondContact O-CG 3.33Å; F827-M831 PolarHBondContact O-N 2.97Å
828F94.3Very high89.9Confident2 Ų259.6 Ų59.61%0.00933%0.332CS..Hα-helixtrans-66-36.5174.7-63.3-37.8000112.9I788 L797 F800 E808 S809 T824 E825 M831 G832I788-F828 HydrophobicContact CB-CD1 4.3Å; I788-F828 HydrophobicContact CB-CE1 4.49Å; I788-F828 HydrophobicContact CD1-CB 4.35Å; I788-F828 HydrophobicContact CD1-CD1 4.46Å; I788-F828 HydrophobicContact CG1-CB 4.12Å; I788-F828 HydrophobicContact CG1-CD1 3.89Å; I788-F828 HydrophobicContact CG1-CG 4.09Å; I788-F828 HydrophobicContact CG2-CD1 3.8Å; I788-F828 HydrophobicContact CG2-CE1 3.82Å; L797-F828 HydrophobicContact CD1-CE1 3.75Å; L797-F828 HydrophobicContact CD1-CE2 4.28Å; L797-F828 HydrophobicContact CD1-CZ 3.59Å; L797-F828 HydrophobicContact CG-CE1 3.79Å; L797-F828 HydrophobicContact CG-CZ 3.83Å; F800-F828 HydrophobicContact CD2-CZ 4.44Å; F800-F828 AromaticContact CE2-CE2 3.84Å; F800-F828 HydrophobicContact CE2-CE2 3.84Å; F800-F828 AromaticContact CE2-CZ 3.73Å; F800-F828 HydrophobicContact CE2-CZ 3.73Å; F800-F828 HydrophobicContact CZ-CE2 4.25Å; E808-F828 WeakPolarHBondContact O-CE2 3.41Å; S809-F828 VanDerWaalsContact O-CZ 3.28Å; S809-F828 WeakPolarHBondContact O-CZ 3.09Å; T824-F828 WeakPolarHBondContact O-CD2 3.32Å; T824-F828 VanDerWaalsContact O-CG 3.31Å; T824-F828 WeakPolarHBondContact O-CG 3.4Å; T824-F828 PolarHBondContact O-N 3.06Å; E825-F828 PolarHBondContact O-N 3.43Å; F828-M831 HydrophobicContact CD1-SD 4.18Å; F828-M831 WeakPolarHBondContact O-CB 3.34Å; F828-M831 PolarHBondContact O-N 3.43Å; F828-G832 PolarHBondContact O-N 3.3Å; F828-G832 VanDerWaalsContact O-N 3.16Å
829H92Very high89.3Confident50 Ų5059.3 Ų59.323%0.23133%0.331CS..Hα-helixtrans-66.8-40.8173.5-174.150.2000111.8Q781 Y817 L821 E825 F826 M831 G832 G833Q781-H829 HydrophobicContact CG-CB 4.37Å; Q781-H829 PolarHBondContact OE1-ND1 3.26Å; Y817-H829 AromaticContact CE1-NE2 3.84Å; Y817-H829 AromaticContact CZ-NE2 3.94Å; Y817-H829 PolarHBondContact OH-CE1 2.86Å; Y817-H829 VanDerWaalsContact OH-CE1 3.25Å; Y817-H829 PolarHBondContact OH-NE2 2.92Å; Y817-H829 VanDerWaalsContact OH-NE2 3.14Å; L821-H829 HydrophobicContact CD1-CB 4.24Å; E825-H829 VanDerWaalsContact O-CB 3.25Å; E825-H829 WeakPolarHBondContact O-CB 3.36Å; E825-H829 PolarHBondContact O-N 3.25Å; F826-H829 PolarHBondContact O-N 2.96Å; H829-M831 VanDerWaalsContact C-N 3.31Å; H829-M831 PolarHBondContact O-N 3.26Å; H829-G832 PolarHBondContact O-N 2.99Å; H829-G833 PolarHBondContact O-N 3.48Å
830A92.8Very high88.7Confident51 Ų5157.5 Ų57.542%0.42131%0.314SS..Hα-helixtrans-63.5-33.8173.500000112.9F826 F827 R834F826-A830 WeakPolarHBondContact O-CB 3.47Å; F826-A830 PolarHBondContact O-N 2.99Å; F827-A830 PolarHBondContact O-N 2.7Å; A830-R834 VanDerWaalsContact O-CB 3.32Å; A830-R834 WeakPolarHBondContact O-CB 3.49Å; A830-R834 PolarHBondContact O-N 2.89Å
831M90.7Very high88.2Confident72 Ų7259.2 Ų59.236%0.35532%0.324SS..Hα-helixtrans-63-50171.8-74.8176.815100112V783 I788 F827 F828 H829 R834 E835V783-M831 HydrophobicContact CG2-CB 4.27Å; I788-M831 HydrophobicContact CD1-CB 4.32Å; I788-M831 HydrophobicContact CD1-SD 4.45Å; I788-M831 HydrophobicContact CG2-SD 4.1Å; F827-M831 HydrophobicContact CD1-CE 4.16Å; F827-M831 HydrophobicContact CD1-SD 4.19Å; F827-M831 HydrophobicContact CE1-CE 3.37Å; F827-M831 HydrophobicContact CE1-CG 4.47Å; F827-M831 HydrophobicContact CE1-SD 3.99Å; F827-M831 HydrophobicContact CZ-CE 3.94Å; F827-M831 WeakPolarHBondContact O-CG 3.33Å; F827-M831 PolarHBondContact O-N 2.97Å; F828-M831 HydrophobicContact CD1-SD 4.18Å; F828-M831 WeakPolarHBondContact O-CB 3.34Å; F828-M831 PolarHBondContact O-N 3.43Å; H829-M831 VanDerWaalsContact C-N 3.31Å; H829-M831 PolarHBondContact O-N 3.26Å; M831-R834 WeakPolarHBondContact O-CB 3.44Å; M831-R834 PolarHBondContact O-N 2.99Å; M831-E835 PolarHBondContact O-N 2.9Å
832G84.1Confident87.5Confident7 Ų761 Ų617%0.07234%0.337CS..Hα-helixtrans-62.6-43.4176.900000112.8F828 H829 R834 E835 G836F828-G832 PolarHBondContact O-N 3.3Å; F828-G832 VanDerWaalsContact O-N 3.16Å; H829-G832 PolarHBondContact O-N 2.99Å; G832-R834 VanDerWaalsContact C-N 3.29Å; G832-R834 PolarHBondContact O-N 3.29Å; G832-E835 PolarHBondContact O-N 3.05Å; G832-G836 PolarHBondContact O-N 3.12Å
833G84.7Confident86.7Confident32 Ų3260 Ų6033%0.3333%0.328SS..Hα-helixtrans-62.7-32.6175.700000113.7H829 L837H829-G833 PolarHBondContact O-N 3.48Å; G833-L837 PolarHBondContact O-N 3.18Å
834R88.3Confident86Confident157 Ų15757.6 Ų57.659%0.59231%0.311SS*.Hα-helixtrans-66.8-37.5175.8179.460.965.7176.32.9112.4A830 M831 G832 L837 I838A830-R834 VanDerWaalsContact O-CB 3.32Å; A830-R834 WeakPolarHBondContact O-CB 3.49Å; A830-R834 PolarHBondContact O-N 2.89Å; M831-R834 WeakPolarHBondContact O-CB 3.44Å; M831-R834 PolarHBondContact O-N 2.99Å; G832-R834 VanDerWaalsContact C-N 3.29Å; G832-R834 PolarHBondContact O-N 3.29Å; R834-L837 PolarHBondContact O-N 3.25Å; R834-I838 HydrophobicContact CG-CD1 3.92Å; R834-I838 WeakPolarHBondContact O-CG1 3.47Å; R834-I838 PolarHBondContact O-N 2.93Å; R834-I838 VanDerWaalsContact O-N 3.12Å
835E79.9Confident85.5Confident50 Ų5058.7 Ų58.723%0.23432%0.324CS..Hα-helixtrans-59.4-51.4175.4-175.2176.5-146.600110.4V783 E784 M831 G832 L837 I838 D839V783-E835 WeakPolarHBondContact CA-OE2 3.36Å; E784-E835 WeakPolarHBondContact CA-OE1 3.32Å; E784-E835 PolarHBondContact N-OE1 3.13Å; E784-E835 PolarHBondContact N-OE2 3.28Å; M831-E835 PolarHBondContact O-N 2.9Å; G832-E835 PolarHBondContact O-N 3.05Å; E835-L837 VanDerWaalsContact C-N 3.31Å; E835-L837 PolarHBondContact O-N 3.07Å; E835-I838 PolarHBondContact O-N 3.31Å; E835-I838 VanDerWaalsContact O-N 3.13Å; E835-D839 WeakPolarHBondContact O-CB 3.34Å; E835-D839 PolarHBondContact O-N 3.3Å
836G75.7Confident85Confident1 Ų161.1 Ų61.11%0.0134%0.335CS..Hα-helixtrans-58.2-37.7178.600000114.4G832 T840 F1097G832-G836 PolarHBondContact O-N 3.12Å; G836-T840 WeakPolarHBondContact O-CB 3.44Å; G836-T840 PolarHBondContact O-N 2.83Å; G836-T840 PolarHBondContact O-OG1 2.82Å; G836-F1097 VanDerWaalsContact C-CE1 3.4Å; G836-F1097 WeakPolarHBondContact O-CE2 3.38Å; G836-F1097 WeakPolarHBondContact O-CZ 3.33Å
837L82.8Confident84.6Confident94 Ų9454.8 Ų54.849%0.49231%0.307SS..Hα-helixtrans-63.5-46.3174.3-79.4162.4000112.3G833 R834 E835 A841 F1097G833-L837 PolarHBondContact O-N 3.18Å; R834-L837 PolarHBondContact O-N 3.25Å; E835-L837 VanDerWaalsContact C-N 3.31Å; E835-L837 PolarHBondContact O-N 3.07Å; L837-A841 PolarHBondContact O-N 3.35Å; L837-A841 VanDerWaalsContact O-N 3.14Å; L837-F1097 HydrophobicContact CB-CZ 4.2Å; L837-F1097 HydrophobicContact CD2-CE1 4.48Å; L837-F1097 HydrophobicContact CD2-CZ 3.77Å; L837-F1097 HydrophobicContact CG-CE1 4.04Å; L837-F1097 HydrophobicContact CG-CZ 3.72Å
838I85Confident84.2Confident94 Ų9450.6 Ų50.648%0.48229%0.291SS..Hα-helixtrans-66.8-46.4179.3-67.8168.6000110R834 E835 T840 A841 V842R834-I838 HydrophobicContact CG-CD1 3.92Å; R834-I838 WeakPolarHBondContact O-CG1 3.47Å; R834-I838 PolarHBondContact O-N 2.93Å; R834-I838 VanDerWaalsContact O-N 3.12Å; E835-I838 PolarHBondContact O-N 3.31Å; E835-I838 VanDerWaalsContact O-N 3.13Å; I838-T840 VanDerWaalsContact C-N 3.32Å; I838-T840 PolarHBondContact O-N 3.36Å; I838-A841 PolarHBondContact O-N 2.69Å; I838-V842 HydrophobicContact CG2-CG2 4.21Å; I838-V842 WeakPolarHBondContact O-CG2 3.22Å; I838-V842 PolarHBondContact O-N 3.11Å
839D77Confident83.9Confident49 Ų4954.4 Ų54.426%0.26231%0.306SS..Hα-helixtrans-59.7-43.8179.8-111.63000111.5E835 V842 K843 T1096E835-D839 WeakPolarHBondContact O-CB 3.34Å; E835-D839 PolarHBondContact O-N 3.3Å; D839-V842 PolarHBondContact O-N 3.04Å; D839-K843 HydrophobicContact CB-CD 4.2Å; D839-K843 VanDerWaalsContact CG-NZ 3.3Å; D839-K843 WeakPolarHBondContact O-CB 3.5Å; D839-K843 WeakPolarHBondContact O-CD 3.36Å; D839-K843 WeakPolarHBondContact O-CG 3.43Å; D839-K843 PolarHBondContact O-N 3.23Å; D839-K843 WeakPolarHBondContact OD1-CE 3.41Å; D839-K843 IonicContact OD1-NZ 3.75Å; D839-K843 VanDerWaalsContact OD2-CE 3.23Å; D839-K843 WeakPolarHBondContact OD2-CE 3.49Å; D839-K843 IonicContact OD2-NZ 2.74Å; D839-K843 PolarHBondContact OD2-NZ 3.46Å; D839-T1096 HydrophobicContact CB-CG2 4.12Å; D839-T1096 WeakPolarHBondContact OD2-CG2 3.04Å
840T76.2Confident83.8Confident23 Ų2352.1 Ų52.114%0.14130%0.296CS..Hα-helixtrans-63-44.8177.2-60.80000111.7G836 I838 T844 T1093 L1094 F1097G836-T840 WeakPolarHBondContact O-CB 3.44Å; G836-T840 PolarHBondContact O-N 2.83Å; G836-T840 PolarHBondContact O-OG1 2.82Å; I838-T840 VanDerWaalsContact C-N 3.32Å; I838-T840 PolarHBondContact O-N 3.36Å; T840-T844 VanDerWaalsContact O-CB 3.22Å; T840-T844 WeakPolarHBondContact O-CB 3.29Å; T840-T844 PolarHBondContact O-N 3.21Å; T840-T844 VanDerWaalsContact O-N 3.11Å; T840-T844 PolarHBondContact O-OG1 2.88Å; T840-T1093 HydrophobicContact CG2-CG2 4.48Å; T840-L1094 HydrophobicContact CG2-CD2 4.05Å; T840-F1097 HydrophobicContact CG2-CE2 4.1Å; T840-F1097 WeakPolarHBondContact OG1-CD2 3.35Å; T840-F1097 WeakPolarHBondContact OG1-CE2 3.39Å
841A82.5Confident83.7Confident71 Ų7150.4 Ų50.459%0.58728%0.279SS*.Hα-helixtrans-63.8-44.9178.300000112.7L837 I838L837-A841 PolarHBondContact O-N 3.35Å; L837-A841 VanDerWaalsContact O-N 3.14Å; I838-A841 PolarHBondContact O-N 2.69Å
842V79.9Confident83.7Confident81 Ų8148 Ų4849%0.49127%0.266SS..Hα-helixtrans-71.5-51.4-178.5173.30000111.2I838 D839 T844 A845 E846I838-V842 HydrophobicContact CG2-CG2 4.21Å; I838-V842 WeakPolarHBondContact O-CG2 3.22Å; I838-V842 PolarHBondContact O-N 3.11Å; D839-V842 PolarHBondContact O-N 3.04Å; V842-T844 VanDerWaalsContact C-N 3.32Å; V842-T844 PolarHBondContact O-N 3.38Å; V842-A845 PolarHBondContact O-N 3.46Å; V842-E846 PolarHBondContact O-N 3.41Å
843K79.6Confident84Confident37 Ų3748.2 Ų48.216%0.16126%0.264CS..Hα-helixtrans-67.3-30.6-175.6-64.8166.1173.8172.40112D839 A845 E846 T847 T1093 T1096D839-K843 HydrophobicContact CB-CD 4.2Å; D839-K843 VanDerWaalsContact CG-NZ 3.3Å; D839-K843 WeakPolarHBondContact O-CB 3.5Å; D839-K843 WeakPolarHBondContact O-CD 3.36Å; D839-K843 WeakPolarHBondContact O-CG 3.43Å; D839-K843 PolarHBondContact O-N 3.23Å; D839-K843 WeakPolarHBondContact OD1-CE 3.41Å; D839-K843 IonicContact OD1-NZ 3.75Å; D839-K843 VanDerWaalsContact OD2-CE 3.23Å; D839-K843 WeakPolarHBondContact OD2-CE 3.49Å; D839-K843 IonicContact OD2-NZ 2.74Å; D839-K843 PolarHBondContact OD2-NZ 3.46Å; K843-A845 VanDerWaalsContact C-N 3.31Å; K843-A845 PolarHBondContact O-N 2.86Å; K843-E846 PolarHBondContact O-N 3.5Å; K843-E846 VanDerWaalsContact O-N 3.08Å; K843-T847 WeakPolarHBondContact O-CG2 3.27Å; K843-T847 PolarHBondContact O-N 3.23Å; K843-T847 PolarHBondContact O-OG1 3.44Å; K843-T1093 HydrophobicContact CB-CG2 3.45Å; K843-T1093 VanDerWaalsContact CB-CG2 3.45Å; K843-T1093 VanDerWaalsContact CB-OG1 3.31Å; K843-T1093 WeakPolarHBondContact CB-OG1 3.14Å; K843-T1093 HydrophobicContact CD-CG2 4.36Å; K843-T1096 VanDerWaalsContact NZ-CG2 3.3Å; K843-T1096 PolarHBondContact NZ-OG1 3.25Å
844T80.3Confident84.4Confident62 Ų6246.8 Ų46.838%0.3825%0.249SC..Hα-helixtrans-61.7-38.5176.1-62.90000112.1T840 V842 T847 G848T840-T844 VanDerWaalsContact O-CB 3.22Å; T840-T844 WeakPolarHBondContact O-CB 3.29Å; T840-T844 PolarHBondContact O-N 3.21Å; T840-T844 VanDerWaalsContact O-N 3.11Å; T840-T844 PolarHBondContact O-OG1 2.88Å; V842-T844 VanDerWaalsContact C-N 3.32Å; V842-T844 PolarHBondContact O-N 3.38Å; T844-T847 PolarHBondContact O-OG1 3.47Å; T844-G848 PolarHBondContact O-N 2.65Å
845A83.9Confident84.6Confident59 Ų5940.7 Ų40.749%0.48823%0.228SC..Hα-helixtrans-67.7-37174.400000111.9V842 K843 Y849V842-A845 PolarHBondContact O-N 3.46Å; K843-A845 VanDerWaalsContact C-N 3.31Å; K843-A845 PolarHBondContact O-N 2.86Å; A845-Y849 PolarHBondContact O-N 2.66Å
846E85.5Confident85.2Confident62 Ų6239.9 Ų39.929%0.2922%0.224SC..Hα-helixtrans-68.9-45.4176.7-57.6-135.2127.900112.4V842 K843 Y849 I850 K1115V842-E846 PolarHBondContact O-N 3.41Å; K843-E846 PolarHBondContact O-N 3.5Å; K843-E846 VanDerWaalsContact O-N 3.08Å; E846-Y849 PolarHBondContact O-N 3.15Å; E846-I850 WeakPolarHBondContact O-CG1 3.16Å; E846-I850 PolarHBondContact O-N 2.66Å; E846-K1115 IonicContact OE1-NZ 3.6Å; E846-K1115 PolarHBondContact OE1-NZ 2.63Å; E846-K1115 IonicContact OE2-NZ 2.67Å; E846-K1115 PolarHBondContact OE2-NZ 2.87Å
847T86.9Confident85.9Confident1 Ų140.3 Ų40.31%0.00623%0.227CC..Hα-helixtrans-66.5-44.2-176.656.50000112.1K843 T844 Y849 I850 Q851 A1089 T1090 T1093 V1111K843-T847 WeakPolarHBondContact O-CG2 3.27Å; K843-T847 PolarHBondContact O-N 3.23Å; K843-T847 PolarHBondContact O-OG1 3.44Å; T844-T847 PolarHBondContact O-OG1 3.47Å; T847-Y849 PolarHBondContact O-N 2.93Å; T847-I850 PolarHBondContact O-N 3.34Å; T847-I850 VanDerWaalsContact O-N 3.14Å; T847-Q851 WeakPolarHBondContact O-CB 3.36Å; T847-Q851 PolarHBondContact O-N 2.84Å; T847-A1089 HydrophobicContact CG2-CB 4.46Å; T847-A1089 WeakPolarHBondContact CG2-O 3.16Å; T847-T1090 WeakPolarHBondContact CB-OG1 3.43Å; T847-T1090 PolarHBondContact OG1-OG1 3.44Å; T847-T1093 WeakPolarHBondContact CG2-OG1 3.31Å; T847-V1111 HydrophobicContact CG2-CB 4.45Å; T847-V1111 HydrophobicContact CG2-CG1 3.88Å; T847-V1111 HydrophobicContact CG2-CG2 3.66Å
848G86.8Confident86.3Confident8 Ų835.9 Ų35.98%0.08220%0.204CC..Hα-helixtrans-63.7-27.4175.500000113.3T844 R852 P1670T844-G848 PolarHBondContact O-N 2.65Å; G848-R852 PolarHBondContact O-N 3.46Å; G848-P1670 WeakPolarHBondContact O-CB 3.4Å
849Y88.1Confident86.6Confident81 Ų8132.5 Ų32.532%0.31819%0.186SC..Hα-helixtrans-77.2-39171.5176-116.6000112.6A845 E846 T847 R852 R853 E1423A845-Y849 PolarHBondContact O-N 2.66Å; E846-Y849 PolarHBondContact O-N 3.15Å; T847-Y849 PolarHBondContact O-N 2.93Å; Y849-R852 PolarHBondContact O-N 3.11Å; Y849-R853 HydrophobicContact CE2-CG 4.25Å; Y849-R853 WeakPolarHBondContact O-CG 3.43Å; Y849-R853 PolarHBondContact O-N 2.93Å; Y849-E1423 PolarHBondContact OH-OE1 3.17Å
850I89.9Confident87.3Confident3 Ų330.8 Ų30.82%0.01518%0.178CC..Hα-helixtrans-59.7-48.4171.3-70.7165.1000110.4E846 T847 R852 R853 L854 V1111 L1114 K1115 I1118E846-I850 WeakPolarHBondContact O-CG1 3.16Å; E846-I850 PolarHBondContact O-N 2.66Å; T847-I850 PolarHBondContact O-N 3.34Å; T847-I850 VanDerWaalsContact O-N 3.14Å; I850-R852 VanDerWaalsContact C-N 3.35Å; I850-R852 PolarHBondContact O-N 2.9Å; I850-R853 WeakPolarHBondContact O-CB 3.44Å; I850-R853 PolarHBondContact O-N 2.75Å; I850-R853 VanDerWaalsContact O-N 3.08Å; I850-L854 HydrophobicContact CG2-CD1 4.04Å; I850-L854 HydrophobicContact CG2-CG 4.42Å; I850-L854 WeakPolarHBondContact O-CG 3.48Å; I850-L854 PolarHBondContact O-N 3.41Å; I850-V1111 HydrophobicContact CD1-CG1 3.79Å; I850-L1114 HydrophobicContact CG2-CD2 4.43Å; I850-K1115 HydrophobicContact CD1-CB 4.39Å; I850-I1118 HydrophobicContact CG2-CD1 3.79Å
851Q90.8Very high88.2Confident15 Ų1529.9 Ų29.97%0.0717%0.172CC..Hα-helixtrans-57.1-46.1176.8-171.2-147.29.100111.3L454 T847 R853 L854 I855L454-Q851 PolarHBondContact O-NE2 3.01Å; T847-Q851 WeakPolarHBondContact O-CB 3.36Å; T847-Q851 PolarHBondContact O-N 2.84Å; Q851-R853 VanDerWaalsContact C-N 3.3Å; Q851-R853 PolarHBondContact O-N 2.74Å; Q851-L854 PolarHBondContact O-N 2.85Å; Q851-I855 HydrophobicContact CG-CD1 4.11Å; Q851-I855 WeakPolarHBondContact O-CG1 3.35Å; Q851-I855 PolarHBondContact O-N 3.06Å
852R89.3Confident88.8Confident22 Ų2226.8 Ų26.88%0.08315%0.146CC..Hα-helixtrans-60.8-36.4175.9-178.4173177.1-120.8-9.2112.8G848 Y849 I850 K856 S1421 M1671G848-R852 PolarHBondContact O-N 3.46Å; Y849-R852 PolarHBondContact O-N 3.11Å; I850-R852 VanDerWaalsContact C-N 3.35Å; I850-R852 PolarHBondContact O-N 2.9Å; R852-K856 WeakPolarHBondContact O-CB 3.2Å; R852-K856 WeakPolarHBondContact O-CG 3.38Å; R852-K856 PolarHBondContact O-N 3.42Å; R852-S1421 PolarHBondContact NH2-O 3.48Å; R852-M1671 HydrophobicContact CG-CE 4.29Å
853R91.3Very high89.5Confident10 Ų1023 Ų234%0.03812%0.123CC..Hα-helixtrans-67.9-45175.8-74167.356.6-174.3-1.4111.9Y849 I850 Q851 K856 A857 N1119 I1404 T1405 F1422Y849-R853 HydrophobicContact CE2-CG 4.25Å; Y849-R853 WeakPolarHBondContact O-CG 3.43Å; Y849-R853 PolarHBondContact O-N 2.93Å; I850-R853 WeakPolarHBondContact O-CB 3.44Å; I850-R853 PolarHBondContact O-N 2.75Å; I850-R853 VanDerWaalsContact O-N 3.08Å; Q851-R853 VanDerWaalsContact C-N 3.3Å; Q851-R853 PolarHBondContact O-N 2.74Å; R853-K856 PolarHBondContact O-N 3.22Å; R853-A857 WeakPolarHBondContact O-CB 3.31Å; R853-A857 PolarHBondContact O-N 3.45Å; R853-A857 VanDerWaalsContact O-N 3.1Å; R853-N1119 VanDerWaalsContact CZ-OD1 3.28Å; R853-N1119 PolarHBondContact NH1-OD1 2.75Å; R853-N1119 PolarHBondContact NH2-OD1 2.89Å; R853-I1404 PolarHBondContact NE-O 3.22Å; R853-I1404 PolarHBondContact NH2-O 2.78Å; R853-T1405 VanDerWaalsContact NH2-CG2 3.31Å; R853-F1422 HydrophobicContact CG-CE2 4.13Å; R853-F1422 HydrophobicContact CG-CZ 3.7Å
854L93Very high90.2Very high2 Ų223.6 Ų23.61%0.0113%0.125CC..Hα-helixtrans-59.7-47175.7-69.9171.3000111.2I850 Q851 A857 M858 A1082 L1085 I1118 L1391 I1404I850-L854 HydrophobicContact CG2-CD1 4.04Å; I850-L854 HydrophobicContact CG2-CG 4.42Å; I850-L854 WeakPolarHBondContact O-CG 3.48Å; I850-L854 PolarHBondContact O-N 3.41Å; Q851-L854 PolarHBondContact O-N 2.85Å; L854-A857 PolarHBondContact O-N 2.96Å; L854-M858 WeakPolarHBondContact O-CG 3.16Å; L854-M858 PolarHBondContact O-N 2.81Å; L854-A1082 HydrophobicContact CB-CB 3.89Å; L854-L1085 HydrophobicContact CD1-CB 4.26Å; L854-I1118 HydrophobicContact CD1-CD1 4.47Å; L854-I1118 HydrophobicContact CD2-CD1 4.13Å; L854-I1118 HydrophobicContact CG-CD1 4.49Å; L854-L1391 HydrophobicContact CD2-CD1 3.72Å; L854-L1391 HydrophobicContact CD2-CD2 3.94Å; L854-I1404 HydrophobicContact CD2-CD1 3.93Å
855I93.1Very high90.8Very high30 Ų3027.3 Ų27.315%0.15413%0.133CC..Hα-helixtrans-60.5-50.2177.6-67.2168000110.3Q851 A857 M858 E859 A1082Q851-I855 HydrophobicContact CG-CD1 4.11Å; Q851-I855 WeakPolarHBondContact O-CG1 3.35Å; Q851-I855 PolarHBondContact O-N 3.06Å; I855-A857 PolarHBondContact O-N 3.49Å; I855-A857 VanDerWaalsContact O-N 3.12Å; I855-M858 PolarHBondContact O-N 2.64Å; I855-E859 VanDerWaalsContact O-CB 3.31Å; I855-E859 WeakPolarHBondContact O-CB 3.44Å; I855-E859 PolarHBondContact O-N 2.85Å; I855-A1082 HydrophobicContact CB-CB 4.34Å; I855-A1082 HydrophobicContact CG1-CB 3.72Å
856K90.9Very high91.1Very high33 Ų3327.8 Ų27.814%0.14313%0.128CC..Hα-helixtrans-65.3-16.8-178.7-78.1-78.1159-157.70114.5R852 R853 E859 L1409 S1421 F1422 S1445R852-K856 WeakPolarHBondContact O-CB 3.2Å; R852-K856 WeakPolarHBondContact O-CG 3.38Å; R852-K856 PolarHBondContact O-N 3.42Å; R853-K856 PolarHBondContact O-N 3.22Å; K856-E859 VanDerWaalsContact CD-OE2 3.28Å; K856-E859 WeakPolarHBondContact CD-OE2 3.48Å; K856-E859 WeakPolarHBondContact CE-OE2 3.17Å; K856-E859 IonicContact NZ-OE1 2.77Å; K856-E859 PolarHBondContact NZ-OE1 2.98Å; K856-E859 IonicContact NZ-OE2 3.83Å; K856-E859 PolarHBondContact NZ-OE2 3.43Å; K856-L1409 HydrophobicContact CB-CD1 4.45Å; K856-S1421 WeakPolarHBondContact CD-OG 3.09Å; K856-S1421 WeakPolarHBondContact CE-OG 3.41Å; K856-S1421 PolarHBondContact NZ-OG 3.16Å; K856-F1422 HydrophobicContact CB-CD2 4.05Å; K856-F1422 HydrophobicContact CB-CG 4.46Å; K856-F1422 HydrophobicContact CD-CB 4.45Å; K856-F1422 HydrophobicContact CG-CD2 3.91Å; K856-S1445 PolarHBondContact NZ-OG 3.27Å
857A90.8Very high91.3Very high10 Ų1025.7 Ų25.78%0.08312%0.123CC..Hα-helixtrans-84.5-28.9173.300000113.7R853 L854 I855 I1404 L1409R853-A857 WeakPolarHBondContact O-CB 3.31Å; R853-A857 PolarHBondContact O-N 3.45Å; R853-A857 VanDerWaalsContact O-N 3.1Å; L854-A857 PolarHBondContact O-N 2.96Å; I855-A857 PolarHBondContact O-N 3.49Å; I855-A857 VanDerWaalsContact O-N 3.12Å; A857-I1404 HydrophobicContact CB-CG2 3.47Å; A857-I1404 VanDerWaalsContact CB-CG2 3.47Å; A857-L1409 HydrophobicContact CB-CD2 3.66Å
858M92.1Very high91.7Very high0 Ų026.2 Ų26.20%013%0.126CC..Hα-helixtrans-1220.3-167.2-51.4-160.7-70.500113.7L854 I855 S860 V861 G1078 A1081 A1082 L1391 I1394L854-M858 WeakPolarHBondContact O-CG 3.16Å; L854-M858 PolarHBondContact O-N 2.81Å; I855-M858 PolarHBondContact O-N 2.64Å; M858-S860 PolarHBondContact O-N 3.03Å; M858-S860 VanDerWaalsContact O-N 3.13Å; M858-V861 PolarHBondContact O-N 3.18Å; M858-G1078 WeakPolarHBondContact CB-O 3.34Å; M858-G1078 CarbonylContact O-C 3.52Å; M858-G1078 WeakPolarHBondContact O-CA 3.36Å; M858-A1081 HydrophobicContact CE-CB 4.05Å; M858-A1082 VanDerWaalsContact CE-CA 3.42Å; M858-A1082 HydrophobicContact CE-CB 3.56Å; M858-A1082 VanDerWaalsContact CE-N 3.3Å; M858-L1391 HydrophobicContact CE-CD1 3.83Å; M858-L1391 HydrophobicContact SD-CB 4.43Å; M858-L1391 HydrophobicContact SD-CD1 3.56Å; M858-L1391 VanDerWaalsContact SD-CD1 3.56Å; M858-I1394 HydrophobicContact CB-CD1 4.29Å; M858-I1394 HydrophobicContact CG-CD1 3.68Å; M858-I1394 HydrophobicContact SD-CD1 3.55Å; M858-I1394 VanDerWaalsContact SD-CD1 3.55Å
859E91.6Very high92.2Very high24 Ų2425.9 Ų25.911%0.11212%0.122CC..THydrogen-bonded Turntrans-60-24.5-174.760.6174.6-133.700115.3I855 K856 M1076 V1444 S1445I855-E859 VanDerWaalsContact O-CB 3.31Å; I855-E859 WeakPolarHBondContact O-CB 3.44Å; I855-E859 PolarHBondContact O-N 2.85Å; K856-E859 VanDerWaalsContact CD-OE2 3.28Å; K856-E859 WeakPolarHBondContact CD-OE2 3.48Å; K856-E859 WeakPolarHBondContact CE-OE2 3.17Å; K856-E859 IonicContact NZ-OE1 2.77Å; K856-E859 PolarHBondContact NZ-OE1 2.98Å; K856-E859 IonicContact NZ-OE2 3.83Å; K856-E859 PolarHBondContact NZ-OE2 3.43Å; E859-M1076 WeakPolarHBondContact O-CE 3.42Å; E859-V1444 WeakPolarHBondContact O-CG2 3.44Å; E859-S1445 WeakPolarHBondContact OE1-CB 3.49Å; E859-S1445 PolarHBondContact OE1-OG 3.01Å
860S91.3Very high92.5Very high12 Ų1225.3 Ų25.38%0.08412%0.12CC..THydrogen-bonded Turntrans-103.29.1177.861.80000114.2M858 N871 Q872M858-S860 PolarHBondContact O-N 3.03Å; M858-S860 VanDerWaalsContact O-N 3.13Å; S860-N871 CarbonylContact O-C 3.57Å; S860-N871 WeakPolarHBondContact O-CA 3.35Å; S860-Q872 PolarHBondContact O-N 2.93Å; S860-Q872 PolarHBondContact OG-OE1 2.94Å
861V94Very high92.5Very high4 Ų425.8 Ų25.82%0.02412%0.122CC..  trans-90.5116.9178.4179.30000110.1M858 V869 R870 N871 I877 G1078 L1390 I1394M858-V861 PolarHBondContact O-N 3.18Å; V861-V869 HydrophobicContact CG1-CG1 3.44Å; V861-V869 VanDerWaalsContact CG1-CG1 3.44Å; V861-R870 WeakPolarHBondContact CA-O 3.49Å; V861-N871 HydrophobicContact CG2-CB 4.13Å; V861-I877 HydrophobicContact CB-CD1 4.29Å; V861-I877 HydrophobicContact CG1-CD1 3.72Å; V861-I877 HydrophobicContact CG2-CD1 3.57Å; V861-G1078 PolarHBondContact O-N 3.4Å; V861-L1390 HydrophobicContact CG1-CD1 4.13Å; V861-L1390 HydrophobicContact CG1-CD2 4.31Å; V861-I1394 HydrophobicContact CG1-CD1 4.43Å; V861-I1394 HydrophobicContact CG2-CD1 3.92Å
862M94.8Very high92.4Very high7 Ų725.6 Ų25.63%0.03412%0.122CC..EExtended strand (participates in β ladder)trans-143.5165.8-17272.5-175.4-6400111.6K864 R870 E1075 M1076 C1460M862-K864 HydrophobicContact CG-CD 4.18Å; M862-K864 HydrophobicContact SD-CD 4.32Å; M862-K864 PolarHBondContact SD-NZ 3Å; M862-R870 PolarHBondContact N-O 3.23Å; M862-R870 PolarHBondContact O-N 2.78Å; M862-E1075 WeakPolarHBondContact CA-O 3.45Å; M862-M1076 HydrophobicContact CB-CE 4.1Å; M862-M1076 HydrophobicContact CB-SD 3.53Å; M862-M1076 VanDerWaalsContact CB-SD 3.53Å; M862-M1076 HydrophobicContact CE-SD 4.34Å; M862-M1076 HydrophobicContact SD-SD 4.42Å; M862-C1460 HydrophobicContact CE-CB 4.21Å; M862-C1460 WeakPolarHBondContact CE-SG 3.27Å
863I95.1Very high92.3Very high1 Ų127.6 Ų27.61%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-87.9132.3172.8-64.3168.4000109.9T868 V869 Y881 I1071 G1074 E1075 V1077I863-T868 WeakPolarHBondContact CA-O 3.41Å; I863-V869 HydrophobicContact CG1-CG2 4.05Å; I863-Y881 HydrophobicContact CD1-CD1 3.94Å; I863-Y881 HydrophobicContact CD1-CG 3.8Å; I863-I1071 HydrophobicContact CD1-CB 4.04Å; I863-I1071 HydrophobicContact CD1-CD1 4.4Å; I863-I1071 HydrophobicContact CD1-CG1 3.23Å; I863-I1071 HydrophobicContact CD1-CG2 3.58Å; I863-G1074 PolarHBondContact O-N 3.02Å; I863-E1075 PolarHBondContact N-O 3.28Å; I863-V1077 HydrophobicContact CD1-CG1 3.57Å; I863-V1077 HydrophobicContact CD1-CG2 4.48Å; I863-V1077 HydrophobicContact CG1-CG1 4.03Å; I863-V1077 HydrophobicContact CG1-CG2 4.08Å
864K94.4Very high92.2Very high49 Ų4931.5 Ų31.521%0.21316%0.155CC..  trans-93.7166.5174.2-59.7-56.9-172.7-178.70110.8M862 D866 G867 T868 R870M862-K864 HydrophobicContact CG-CD 4.18Å; M862-K864 HydrophobicContact SD-CD 4.32Å; M862-K864 PolarHBondContact SD-NZ 3Å; K864-D866 WeakPolarHBondContact CB-OD1 3.36Å; K864-D866 PolarHBondContact O-N 3.49Å; K864-D866 VanDerWaalsContact O-N 3.17Å; K864-G867 WeakPolarHBondContact O-CA 3.35Å; K864-G867 PolarHBondContact O-N 2.77Å; K864-T868 PolarHBondContact N-O 3.32Å; K864-R870 HydrophobicContact CG-CB 4.15Å; K864-R870 HydrophobicContact CG-CG 4.06Å
865Y93.1Very high92.1Very high140 Ų14033.3 Ų33.355%0.54916%0.163SC..THydrogen-bonded Turntrans-63.1-18.7-177.6-79.1-77.9000115.3G867 P1073 F1461Y865-G867 PolarHBondContact O-N 3.47Å; Y865-P1073 HydrophobicContact CD1-CB 3.62Å; Y865-P1073 HydrophobicContact CD1-CG 3.93Å; Y865-P1073 HydrophobicContact CE1-CB 3.76Å; Y865-P1073 HydrophobicContact CE1-CG 4.25Å; Y865-P1073 HydrophobicContact CG-CB 4.07Å; Y865-F1461 WeakPolarHBondContact OH-CB 3.49Å; Y865-F1461 WeakPolarHBondContact OH-CD1 3.34Å
866D90.9Very high92.1Very high70 Ų7035.4 Ų35.437%0.37417%0.174SC..THydrogen-bonded Turntrans-76.7-1.2169.265.1-1.2000113.2K864 T868 R870 R880K864-D866 WeakPolarHBondContact CB-OD1 3.36Å; K864-D866 PolarHBondContact O-N 3.49Å; K864-D866 VanDerWaalsContact O-N 3.17Å; D866-T868 VanDerWaalsContact C-N 3.32Å; D866-T868 WeakPolarHBondContact OD1-CB 3.48Å; D866-T868 PolarHBondContact OD1-N 2.85Å; D866-T868 PolarHBondContact OD1-OG1 3.43Å; D866-T868 PolarHBondContact OD2-OG1 2.98Å; D866-T868 VanDerWaalsContact OD2-OG1 3.05Å; D866-R870 IonicContact OD2-CZ 3.41Å; D866-R870 IonicContact OD2-NE 3.6Å; D866-R870 IonicContact OD2-NH2 3.01Å; D866-R870 PolarHBondContact OD2-NH2 3.33Å; D866-R880 PolarHBondContact O-NH1 2.73Å; D866-R880 PolarHBondContact O-NH2 2.95Å
867G89.9Confident92.3Very high18 Ų1834.9 Ų34.919%0.18617%0.173CC..SBendtrans72.716-176.500000114.7K864 Y865 R880K864-G867 WeakPolarHBondContact O-CA 3.35Å; K864-G867 PolarHBondContact O-N 2.77Å; Y865-G867 PolarHBondContact O-N 3.47Å; G867-R880 PolarHBondContact O-NH1 3.42Å
868T95Very high92.5Very high12 Ų1234.9 Ų34.97%0.07417%0.171CC..  trans-90.6152.5174.267.10000111.4I863 K864 D866 R870 L876I863-T868 WeakPolarHBondContact CA-O 3.41Å; K864-T868 PolarHBondContact N-O 3.32Å; D866-T868 VanDerWaalsContact C-N 3.32Å; D866-T868 WeakPolarHBondContact OD1-CB 3.48Å; D866-T868 PolarHBondContact OD1-N 2.85Å; D866-T868 PolarHBondContact OD1-OG1 3.43Å; D866-T868 PolarHBondContact OD2-OG1 2.98Å; D866-T868 VanDerWaalsContact OD2-OG1 3.05Å; T868-R870 PolarHBondContact OG1-NE 2.71Å; T868-L876 HydrophobicContact CG2-CD1 4.09Å
869V96.4Very high92.6Very high0 Ų039.1 Ų39.10%019%0.193CC..EExtended strand (participates in β ladder)trans-94.6120.5175.2-176.50000109.4V861 I863 I877 Q878 Y881 V1077 L1390V861-V869 HydrophobicContact CG1-CG1 3.44Å; V861-V869 VanDerWaalsContact CG1-CG1 3.44Å; I863-V869 HydrophobicContact CG1-CG2 4.05Å; V869-I877 HydrophobicContact CG1-CB 4.49Å; V869-I877 PolarHBondContact O-N 3.18Å; V869-Q878 HydrophobicContact CB-CB 3.96Å; V869-Q878 HydrophobicContact CG2-CB 3.98Å; V869-Q878 PolarHBondContact N-O 3.23Å; V869-Q878 PolarHBondContact O-N 3.46Å; V869-Y881 HydrophobicContact CG2-CD2 4.15Å; V869-Y881 HydrophobicContact CG2-CG 4.42Å; V869-V1077 HydrophobicContact CG1-CG2 4.04Å; V869-L1390 HydrophobicContact CG1-CD1 3.91Å
870R94.3Very high92.7Very high70 Ų7039.9 Ų39.926%0.26420%0.195SC..EExtended strand (participates in β ladder)trans-136.5156.8-177.8-50.2-167.4-170.4-161.94.1112.3V861 M862 K864 D866 T868 Q875V861-R870 WeakPolarHBondContact CA-O 3.49Å; M862-R870 PolarHBondContact N-O 3.23Å; M862-R870 PolarHBondContact O-N 2.78Å; K864-R870 HydrophobicContact CG-CB 4.15Å; K864-R870 HydrophobicContact CG-CG 4.06Å; D866-R870 IonicContact OD2-CZ 3.41Å; D866-R870 IonicContact OD2-NE 3.6Å; D866-R870 IonicContact OD2-NH2 3.01Å; D866-R870 PolarHBondContact OD2-NH2 3.33Å; T868-R870 PolarHBondContact OG1-NE 2.71Å; R870-Q875 VanDerWaalsContact CA-O 3.29Å; R870-Q875 WeakPolarHBondContact CA-O 3.44Å; R870-Q875 WeakPolarHBondContact CB-O 3.16Å
871N91.1Very high92.8Very high13 Ų1339.4 Ų39.47%0.0719%0.191CC..  trans-91.1-177.7170.566.911.3000112.5S860 V861 I873 N874 Q875 I877S860-N871 CarbonylContact O-C 3.57Å; S860-N871 WeakPolarHBondContact O-CA 3.35Å; V861-N871 HydrophobicContact CG2-CB 4.13Å; N871-I873 PolarHBondContact O-N 3.25Å; N871-I873 WeakPolarHBondContact OD1-CG1 3.38Å; N871-I873 PolarHBondContact OD1-N 2.95Å; N871-N874 WeakPolarHBondContact O-CA 3.46Å; N871-N874 PolarHBondContact O-N 3.1Å; N871-N874 PolarHBondContact OD1-N 2.74Å; N871-Q875 PolarHBondContact N-O 3.42Å; N871-Q875 WeakPolarHBondContact OD1-CB 3.48Å; N871-Q875 PolarHBondContact OD1-N 3.09Å; N871-I877 HydrophobicContact CB-CD1 4.17Å
872Q87.8Confident92.6Very high11 Ų1139.5 Ų39.55%0.05119%0.193CC..THydrogen-bonded Turntrans-55.5-27.4177.457.9-173.680.300116S860 N874 T1414 A1442 E1446S860-Q872 PolarHBondContact O-N 2.93Å; S860-Q872 PolarHBondContact OG-OE1 2.94Å; Q872-N874 VanDerWaalsContact C-N 3.27Å; Q872-T1414 HydrophobicContact CG-CG2 4.11Å; Q872-A1442 HydrophobicContact CB-CB 4.32Å; Q872-A1442 WeakPolarHBondContact O-CB 3.17Å; Q872-E1446 PolarHBondContact NE2-OE1 2.68Å
873I86.8Confident92.5Very high64 Ų6443.5 Ų43.533%0.32821%0.212SC..THydrogen-bonded Turntrans-90.912.617660.2172.6000112.6N871 Q875 D1413N871-I873 PolarHBondContact O-N 3.25Å; N871-I873 WeakPolarHBondContact OD1-CG1 3.38Å; N871-I873 PolarHBondContact OD1-N 2.95Å; I873-Q875 HydrophobicContact CD1-CB 4.29Å; I873-Q875 HydrophobicContact CG1-CB 4.03Å; I873-Q875 PolarHBondContact O-N 2.83Å; I873-Q875 VanDerWaalsContact O-N 3.17Å; I873-D1413 HydrophobicContact CD1-CB 4.14Å; I873-D1413 WeakPolarHBondContact CG2-O 3.3Å
874N89.1Confident92.3Very high91 Ų9144.9 Ų44.949%0.48722%0.219SC..  trans55.524.2-174.4-64.4-50.6000114.3N871 Q872 L876N871-N874 WeakPolarHBondContact O-CA 3.46Å; N871-N874 PolarHBondContact O-N 3.1Å; N871-N874 PolarHBondContact OD1-N 2.74Å; Q872-N874 VanDerWaalsContact C-N 3.27Å; N874-L876 PolarHBondContact O-N 3.48Å
875Q90.8Very high92.2Very high41 Ų4142.9 Ų42.919%0.19221%0.212CC..  trans-68.7127.5168.9-177.2-179.7-11.400108.6R870 N871 I873 K1398R870-Q875 VanDerWaalsContact CA-O 3.29Å; R870-Q875 WeakPolarHBondContact CA-O 3.44Å; R870-Q875 WeakPolarHBondContact CB-O 3.16Å; N871-Q875 PolarHBondContact N-O 3.42Å; N871-Q875 WeakPolarHBondContact OD1-CB 3.48Å; N871-Q875 PolarHBondContact OD1-N 3.09Å; I873-Q875 HydrophobicContact CD1-CB 4.29Å; I873-Q875 HydrophobicContact CG1-CB 4.03Å; I873-Q875 PolarHBondContact O-N 2.83Å; I873-Q875 VanDerWaalsContact O-N 3.17Å; Q875-K1398 VanDerWaalsContact OE1-CE 3.22Å
876L94.2Very high92.3Very high73 Ų7336.5 Ų36.538%0.38219%0.188SC..EExtended strand (participates in β ladder)trans-66130.6173.5-175.668.9000110.1T868 N874 Q878 L879T868-L876 HydrophobicContact CG2-CD1 4.09Å; N874-L876 PolarHBondContact O-N 3.48Å; L876-Q878 WeakPolarHBondContact CD1-O 3.36Å; L876-L879 HydrophobicContact CD2-CD2 3.75Å; L876-L879 HydrophobicContact CD2-CG 4.32Å
877I94.2Very high92.4Very high23 Ų2334 Ų3412%0.11818%0.175CC..EExtended strand (participates in β ladder)trans-111.9-51.3174.6-60.7166.2000109.4V861 V869 N871 L1390 D1393 I1394V861-I877 HydrophobicContact CB-CD1 4.29Å; V861-I877 HydrophobicContact CG1-CD1 3.72Å; V861-I877 HydrophobicContact CG2-CD1 3.57Å; V869-I877 HydrophobicContact CG1-CB 4.49Å; V869-I877 PolarHBondContact O-N 3.18Å; N871-I877 HydrophobicContact CB-CD1 4.17Å; I877-L1390 HydrophobicContact CG2-CD1 3.93Å; I877-D1393 HydrophobicContact CG2-CB 3.77Å; I877-I1394 HydrophobicContact CD1-CD1 4.43Å; I877-I1394 HydrophobicContact CD1-CG1 4.07Å; I877-I1394 HydrophobicContact CG2-CG1 3.96Å
878Q95.2Very high92.5Very high9 Ų933.2 Ų33.24%0.04217%0.166CC..EExtended strand (participates in β ladder)trans-128.7140.4172.8-59.4178.4-27.800110.1V869 L876 R880 L1390 D1393V869-Q878 HydrophobicContact CB-CB 3.96Å; V869-Q878 HydrophobicContact CG2-CB 3.98Å; V869-Q878 PolarHBondContact N-O 3.23Å; V869-Q878 PolarHBondContact O-N 3.46Å; L876-Q878 WeakPolarHBondContact CD1-O 3.36Å; Q878-R880 VanDerWaalsContact C-N 3.33Å; Q878-R880 WeakPolarHBondContact CB-O 3.48Å; Q878-L1390 HydrophobicContact CG-CD1 4.3Å; Q878-D1393 WeakPolarHBondContact CG-OD2 3.2Å; Q878-D1393 PolarHBondContact NE2-OD2 2.78Å
879L94.6Very high92.4Very high89 Ų8933.8 Ų33.847%0.46617%0.169SC..SBendtrans-65.8-37172.2-73.4167.4000111.9L876 Y1879L876-L879 HydrophobicContact CD2-CD2 3.75Å; L876-L879 HydrophobicContact CD2-CG 4.32Å; L879-Y1879 HydrophobicContact CD1-CE2 4.15Å; L879-Y1879 WeakPolarHBondContact CD1-OH 3.15Å
880R93.7Very high92.3Very high41 Ų4136.6 Ų36.616%0.15518%0.182CC..SBendtrans-137.2141172.5-63.2-64.8161.4-153.76.1109.1D866 G867 Q878 G882 E883 V1013D866-R880 PolarHBondContact O-NH1 2.73Å; D866-R880 PolarHBondContact O-NH2 2.95Å; G867-R880 PolarHBondContact O-NH1 3.42Å; Q878-R880 VanDerWaalsContact C-N 3.33Å; Q878-R880 WeakPolarHBondContact CB-O 3.48Å; R880-G882 PolarHBondContact O-N 3.11Å; R880-E883 PolarHBondContact O-N 2.9Å; R880-E883 VanDerWaalsContact O-N 3.1Å; R880-V1013 VanDerWaalsContact NE-CG2 3.35Å
881Y94Very high92.2Very high1 Ų133.2 Ų33.20%0.00417%0.17CC..G310 helixtrans-60.6125.9179.5175.3-129.4000111I863 V869 E883 D884 G885 L886 I1071 V1077 R1386 H1387 L1390I863-Y881 HydrophobicContact CD1-CD1 3.94Å; I863-Y881 HydrophobicContact CD1-CG 3.8Å; V869-Y881 HydrophobicContact CG2-CD2 4.15Å; V869-Y881 HydrophobicContact CG2-CG 4.42Å; Y881-E883 PolarHBondContact O-N 3.06Å; Y881-D884 PolarHBondContact O-N 2.93Å; Y881-D884 VanDerWaalsContact O-OD1 3.06Å; Y881-G885 PolarHBondContact O-N 2.93Å; Y881-L886 WeakPolarHBondContact CD1-O 3.35Å; Y881-I1071 HydrophobicContact CD1-CB 4.23Å; Y881-I1071 HydrophobicContact CD1-CD1 4.25Å; Y881-I1071 HydrophobicContact CD1-CG1 3.8Å; Y881-I1071 HydrophobicContact CD1-CG2 4.39Å; Y881-I1071 HydrophobicContact CE1-CD1 4.2Å; Y881-I1071 HydrophobicContact CE1-CG1 4.24Å; Y881-V1077 HydrophobicContact CD1-CG1 4.07Å; Y881-V1077 HydrophobicContact CD2-CB 4Å; Y881-V1077 HydrophobicContact CD2-CG1 3.92Å; Y881-V1077 HydrophobicContact CD2-CG2 4.1Å; Y881-V1077 HydrophobicContact CE1-CG1 3.72Å; Y881-V1077 HydrophobicContact CE2-CB 3.52Å; Y881-V1077 HydrophobicContact CE2-CG1 3.62Å; Y881-V1077 HydrophobicContact CE2-CG2 4.08Å; Y881-V1077 HydrophobicContact CG-CG1 4.13Å; Y881-V1077 VanDerWaalsContact CZ-CG1 3.48Å; Y881-R1386 HydrophobicContact CE1-CG 4.49Å; Y881-R1386 HydrophobicContact CE2-CB 4.29Å; Y881-R1386 HydrophobicContact CE2-CG 4.41Å; Y881-R1386 VanDerWaalsContact CZ-CD 3.46Å; Y881-R1386 VanDerWaalsContact OH-CD 3.24Å; Y881-R1386 WeakPolarHBondContact OH-CD 3.16Å; Y881-H1387 PolarHBondContact OH-CE1 2.83Å; Y881-L1390 HydrophobicContact CE2-CD2 4.47Å
882G90Very high92.3Very high6 Ų633.2 Ų33.26%0.06217%0.169CC..G310 helixtrans6419.7-17900000114.3R880 D884R880-G882 PolarHBondContact O-N 3.11Å; G882-D884 PolarHBondContact O-N 2.81Å
883E91Very high92.6Very high91 Ų9136.4 Ų36.443%0.42518%0.183SC..G310 helixtrans65.3-8.8-174-52.3-175.8166.600115R880 Y881 R1365R880-E883 PolarHBondContact O-N 2.9Å; R880-E883 VanDerWaalsContact O-N 3.1Å; Y881-E883 PolarHBondContact O-N 3.06Å; E883-R1365 IonicContact OE1-CZ 3.94Å; E883-R1365 IonicContact OE1-NH1 3.81Å; E883-R1365 PolarHBondContact OE1-NH1 2.83Å; E883-R1365 IonicContact OE1-NH2 3.54Å; E883-R1365 PolarHBondContact OE1-NH2 3.23Å
884D91.9Very high92.9Very high30 Ų3033.7 Ų33.716%0.1617%0.169CC..THydrogen-bonded Turntrans-110.2-23.6-179.566.16.1000115.2Y881 G882 L886 V1012 R1386Y881-D884 PolarHBondContact O-N 2.93Å; Y881-D884 VanDerWaalsContact O-OD1 3.06Å; G882-D884 PolarHBondContact O-N 2.81Å; D884-L886 HydrophobicContact CB-CD1 4.17Å; D884-L886 HydrophobicContact CB-CG 4.16Å; D884-L886 PolarHBondContact OD1-N 3.42Å; D884-V1012 WeakPolarHBondContact O-CG1 3.29Å; D884-R1386 VanDerWaalsContact CG-NH2 3.3Å; D884-R1386 IonicContact OD1-CZ 2.84Å; D884-R1386 IonicContact OD1-NH1 3.9Å; D884-R1386 PolarHBondContact OD1-NH1 3.41Å; D884-R1386 IonicContact OD1-NH2 3.1Å; D884-R1386 PolarHBondContact OD1-NH2 3.18Å; D884-R1386 VanDerWaalsContact OD1-NH2 3.09Å; D884-R1386 IonicContact OD2-CZ 3.15Å; D884-R1386 IonicContact OD2-NH1 3.9Å; D884-R1386 IonicContact OD2-NH2 2.74Å; D884-R1386 PolarHBondContact OD2-NH2 3.24Å
885G92.6Very high93Very high7 Ų734.4 Ų34.47%0.07217%0.165CC..THydrogen-bonded Turntrans77.417-176.600000114.9Y881 I1071Y881-G885 PolarHBondContact O-N 2.93Å; G885-I1071 VanDerWaalsContact O-CG2 3.31Å; G885-I1071 WeakPolarHBondContact O-CG2 2.77Å; G885-I1071 PolarHBondContact O-N 3.49Å
886L94.1Very high92.9Very high7 Ų732.6 Ų32.64%0.03716%0.156CC..BIsolated β-bridgetrans-105.7164.8-175.5-56.7175.5000112.5Y881 D884 P970 F1066 A1069 R1386Y881-L886 WeakPolarHBondContact CD1-O 3.35Å; D884-L886 HydrophobicContact CB-CD1 4.17Å; D884-L886 HydrophobicContact CB-CG 4.16Å; D884-L886 PolarHBondContact OD1-N 3.42Å; L886-P970 HydrophobicContact CD1-CB 4.5Å; L886-P970 HydrophobicContact CD1-CG 3.65Å; L886-F1066 HydrophobicContact CD2-CD2 4.4Å; L886-F1066 HydrophobicContact CD2-CE2 3.85Å; L886-F1066 HydrophobicContact CD2-CZ 4.35Å; L886-A1069 CarbonylContact C-O 3.51Å; L886-A1069 VanDerWaalsContact CA-O 3.29Å; L886-A1069 WeakPolarHBondContact CA-O 3.47Å; L886-A1069 HydrophobicContact CD2-CB 4.5Å; L886-R1386 PolarHBondContact O-NH1 2.98Å
887D94Very high92.7Very high18 Ų1831 Ų3110%0.09615%0.151CC..  trans-91.2136168.6-173.616.1000111.9T889 H890 A1069 I1071D887-T889 PolarHBondContact O-N 3.03Å; D887-T889 PolarHBondContact OD1-N 2.96Å; D887-T889 WeakPolarHBondContact OD2-CB 2.97Å; D887-T889 WeakPolarHBondContact OD2-CG2 3.14Å; D887-T889 PolarHBondContact OD2-OG1 2.98Å; D887-H890 PolarHBondContact O-N 3.01Å; D887-H890 IonicContact OD2-ND1 3.91Å; D887-A1069 PolarHBondContact N-O 3.2Å; D887-I1071 HydrophobicContact CB-CD1 3.64Å
888A92.6Very high92.5Very high0 Ų030 Ų300%015%0.146CC..THydrogen-bonded Turntrans-69.2-9.8176.600000114.8P518 N521P518-A888 HydrophobicContact CB-CB 3.71Å; P518-A888 WeakPolarHBondContact O-CB 3.44Å; N521-A888 VanDerWaalsContact CB-O 3.29Å; N521-A888 WeakPolarHBondContact CB-O 3.3Å
889T92.8Very high92.1Very high24 Ų2429.6 Ų29.615%0.14714%0.144CC..THydrogen-bonded Turntrans-73.6-26.1172.966.30000113.1P518 D887P518-T889 HydrophobicContact CB-CG2 3.93Å; P518-T889 HydrophobicContact CG-CG2 4.25Å; D887-T889 PolarHBondContact O-N 3.03Å; D887-T889 PolarHBondContact OD1-N 2.96Å; D887-T889 WeakPolarHBondContact OD2-CB 2.97Å; D887-T889 WeakPolarHBondContact OD2-CG2 3.14Å; D887-T889 PolarHBondContact OD2-OG1 2.98Å
890H92.9Very high91.7Very high59 Ų5928.8 Ų28.827%0.27314%0.137SC..SBendtrans-104.3-0.9-173-64.6105.3000114.7D887 Q1068 A1069D887-H890 PolarHBondContact O-N 3.01Å; D887-H890 IonicContact OD2-ND1 3.91Å; H890-Q1068 PolarHBondContact CE1-O 3.29Å; H890-Q1068 PolarHBondContact ND1-O 3Å; H890-A1069 HydrophobicContact CB-CB 3.61Å
891V92.9Very high91.4Very high0 Ų028.4 Ų28.40%014%0.139CC..EExtended strand (participates in β ladder)trans-93.3142.3-179.4-60.30000112N521 V968 P970N521-V891 HydrophobicContact CB-CG2 3.74Å; N521-V891 WeakPolarHBondContact CB-O 3.49Å; V891-V968 HydrophobicContact CB-CG1 3.7Å; V891-V968 HydrophobicContact CG2-CG1 3.38Å; V891-P970 HydrophobicContact CG1-CB 4.38Å
892E93.9Very high91.2Very high12 Ų1229.6 Ų29.66%0.05615%0.148CC..EExtended strand (participates in β ladder)trans-122.3161.6176.5-68.2-168.1-173.100111.8L648 Q894 V968 L969 N972 R975L648-E892 HydrophobicContact CD1-CG 4.02Å; L648-E892 WeakPolarHBondContact CD1-OE1 3.43Å; E892-Q894 PolarHBondContact O-N 3.45Å; E892-V968 CarbonylContact O-C 3.54Å; E892-V968 WeakPolarHBondContact O-CA 3.4Å; E892-L969 PolarHBondContact N-O 3.29Å; E892-L969 PolarHBondContact O-N 3.46Å; E892-L969 VanDerWaalsContact O-O 3.12Å; E892-N972 WeakPolarHBondContact OE2-CB 3.48Å; E892-N972 PolarHBondContact OE2-ND2 3.27Å; E892-R975 IonicContact OE1-CZ 2.73Å; E892-R975 IonicContact OE1-NE 2.77Å; E892-R975 IonicContact OE1-NH2 2.68Å; E892-R975 PolarHBondContact OE1-NH2 3.2Å; E892-R975 IonicContact OE2-NH2 3.25Å
893F93.4Very high91.4Very high78 Ų7832.3 Ų32.334%0.34216%0.161SC..EExtended strand (participates in β ladder)trans-72.9121.5165.7-69.1-85.7000110.5N521 A639 V967 V968 Y1382N521-F893 VanDerWaalsContact OD1-CE2 3.28Å; N521-F893 WeakPolarHBondContact OD1-CE2 2.89Å; A639-F893 HydrophobicContact CB-CD2 3.91Å; A639-F893 HydrophobicContact CB-CE2 4.12Å; F893-V967 CarbonylContact C-O 3.59Å; F893-V967 WeakPolarHBondContact CA-O 3.4Å; F893-V968 HydrophobicContact CD1-CG2 3.65Å; F893-V968 HydrophobicContact CE1-CG2 3.53Å; F893-V968 HydrophobicContact CG-CG2 4.28Å; F893-V968 HydrophobicContact CZ-CG2 4.04Å; F893-Y1382 HydrophobicContact CE1-CE2 4.46Å; F893-Y1382 HydrophobicContact CE2-CD1 4.48Å; F893-Y1382 HydrophobicContact CE2-CE1 4.21Å; F893-Y1382 AromaticContact CZ-CD1 3.99Å; F893-Y1382 HydrophobicContact CZ-CD1 3.99Å; F893-Y1382 HydrophobicContact CZ-CD2 4.4Å; F893-Y1382 AromaticContact CZ-CE1 3.63Å; F893-Y1382 HydrophobicContact CZ-CE1 3.63Å; F893-Y1382 HydrophobicContact CZ-CE2 4.07Å; F893-Y1382 HydrophobicContact CZ-CG 4.37Å; F893-Y1382 AromaticContact CZ-CZ 3.68Å
894Q92.9Very high91.4Very high8 Ų831.3 Ų31.34%0.03717%0.168CC..EExtended strand (participates in β ladder)trans-129.3157.2178.9-58.6-167.26200109.9E892 S966 V967 L969 P970 C971 L1034E892-Q894 PolarHBondContact O-N 3.45Å; Q894-S966 WeakPolarHBondContact O-CA 3.24Å; Q894-V967 PolarHBondContact N-O 2.91Å; Q894-V967 PolarHBondContact O-N 2.73Å; Q894-L969 PolarHBondContact NE2-O 3.04Å; Q894-P970 PolarHBondContact NE2-O 2.84Å; Q894-C971 PolarHBondContact NE2-O 2.92Å; Q894-C971 PolarHBondContact OE1-O 3.44Å; Q894-L1034 HydrophobicContact CB-CD2 4.15Å
895R90.8Very high91.4Very high106 Ų10633.9 Ų33.940%0.419%0.185SC..EExtended strand (participates in β ladder)trans-103.9138.6178.2-65.8-174.3-172.4-176.84.4111.3P897 D965 G1837R895-P897 VanDerWaalsContact O-CD 3.28Å; R895-P897 WeakPolarHBondContact O-CD 3.15Å; R895-D965 WeakPolarHBondContact CA-O 3.38Å; R895-D965 WeakPolarHBondContact CD-OD2 3.35Å; R895-G1837 VanDerWaalsContact CZ-O 3.31Å; R895-G1837 PolarHBondContact NH1-O 3.33Å; R895-G1837 PolarHBondContact NH2-O 2.9Å
896L90Very high91.4Very high2 Ų233.8 Ų33.81%0.0118%0.182CC..  trans-82.1105.2173-66.1176.3000111T898 F899 L956 I960 D965 V967 L1030 L1034L896-T898 VanDerWaalsContact C-N 3.29Å; L896-T898 PolarHBondContact O-N 2.69Å; L896-F899 HydrophobicContact CB-CB 3.85Å; L896-F899 PolarHBondContact O-N 3.48Å; L896-L956 HydrophobicContact CD1-CD1 4.37Å; L896-L956 HydrophobicContact CD1-CD2 4.15Å; L896-I960 HydrophobicContact CD1-CD1 3.5Å; L896-I960 VanDerWaalsContact CD1-CD1 3.5Å; L896-D965 PolarHBondContact N-O 3.35Å; L896-V967 HydrophobicContact CD1-CG1 3.73Å; L896-V967 HydrophobicContact CD1-CG2 4.49Å; L896-V967 HydrophobicContact CD2-CG2 3.94Å; L896-V967 HydrophobicContact CG-CG1 3.97Å; L896-V967 HydrophobicContact CG-CG2 3.87Å; L896-L1030 HydrophobicContact CD1-CD1 4.21Å; L896-L1030 HydrophobicContact CD2-CD1 4.29Å; L896-L1034 HydrophobicContact CD2-CB 4.27Å; L896-L1034 HydrophobicContact CD2-CD1 4.33Å
897P89.3Confident91.3Very high40 Ų4037.4 Ų37.426%0.2620%0.199SC..THydrogen-bonded Turntrans-76.6-14.7-167.933.3-36.9000113.5R895 P901 F910 A1037R895-P897 VanDerWaalsContact O-CD 3.28Å; R895-P897 WeakPolarHBondContact O-CD 3.15Å; P897-P901 WeakPolarHBondContact O-CG 3.26Å; P897-F910 HydrophobicContact CB-CZ 4.07Å; P897-F910 HydrophobicContact CG-CE1 4.45Å; P897-F910 HydrophobicContact CG-CZ 4.29Å; P897-F910 WeakPolarHBondContact O-CZ 3.37Å; P897-A1037 HydrophobicContact CG-CB 3.92Å
898T89.4Confident91.1Very high3 Ų343.8 Ų43.82%0.01823%0.228CC..THydrogen-bonded Turntrans-88.5-17176.852.80000113.5L896 F906 F910 R953 A1037L896-T898 VanDerWaalsContact C-N 3.29Å; L896-T898 PolarHBondContact O-N 2.69Å; T898-F906 HydrophobicContact CG2-CD2 4.29Å; T898-F906 HydrophobicContact CG2-CE2 3.69Å; T898-F910 HydrophobicContact CG2-CD1 4.02Å; T898-F910 HydrophobicContact CG2-CE1 3.43Å; T898-F910 VanDerWaalsContact CG2-CE1 3.43Å; T898-F910 HydrophobicContact CG2-CE2 4.29Å; T898-F910 HydrophobicContact CG2-CZ 3.59Å; T898-R953 VanDerWaalsContact O-CD 3.24Å; T898-R953 WeakPolarHBondContact O-CD 3.19Å; T898-R953 WeakPolarHBondContact O-CG 3.38Å; T898-R953 PolarHBondContact O-NE 3.25Å; T898-R953 VanDerWaalsContact O-NE 3.1Å; T898-A1037 HydrophobicContact CG2-CB 3.6Å
899F87Confident91Very high0 Ų044.9 Ų44.90%024%0.239CC..THydrogen-bonded Turntrans-71.9-61.9-166.9-180-111.3000112.2L896 L956 R957 I960 K962 D964 D965 F1318L896-F899 HydrophobicContact CB-CB 3.85Å; L896-F899 PolarHBondContact O-N 3.48Å; F899-L956 HydrophobicContact CD2-CB 4.37Å; F899-L956 WeakPolarHBondContact CE2-O 3.39Å; F899-R957 HydrophobicContact CD2-CG 4.01Å; F899-R957 HydrophobicContact CE2-CG 4.01Å; F899-R957 PolarHBondContact O-NE 2.94Å; F899-R957 VanDerWaalsContact O-NE 3.08Å; F899-R957 PolarHBondContact O-NH2 3.07Å; F899-I960 HydrophobicContact CE1-CG2 4.29Å; F899-I960 HydrophobicContact CE2-CB 3.71Å; F899-I960 HydrophobicContact CE2-CG1 4.5Å; F899-I960 HydrophobicContact CE2-CG2 4.31Å; F899-I960 HydrophobicContact CZ-CB 3.7Å; F899-I960 HydrophobicContact CZ-CG2 3.79Å; F899-I960 VanDerWaalsContact CZ-O 3.25Å; F899-I960 WeakPolarHBondContact CZ-O 3.48Å; F899-K962 WeakPolarHBondContact CZ-O 3.45Å; F899-D964 WeakPolarHBondContact CE1-O 3.37Å; F899-D965 HydrophobicContact CD1-CB 4.05Å; F899-F1318 HydrophobicContact CD1-CE2 4.14Å; F899-F1318 HydrophobicContact CD2-CE2 4.47Å; F899-F1318 HydrophobicContact CD2-CZ 4.38Å; F899-F1318 AromaticContact CE1-CE2 3.86Å; F899-F1318 HydrophobicContact CE1-CE2 3.86Å; F899-F1318 AromaticContact CE1-CZ 3.91Å; F899-F1318 HydrophobicContact CE1-CZ 3.91Å; F899-F1318 HydrophobicContact CE2-CE2 4.21Å; F899-F1318 AromaticContact CE2-CZ 3.74Å; F899-F1318 HydrophobicContact CE2-CZ 3.74Å; F899-F1318 HydrophobicContact CG-CE2 4.42Å; F899-F1318 HydrophobicContact CZ-CE1 4.34Å; F899-F1318 AromaticContact CZ-CE2 3.88Å; F899-F1318 HydrophobicContact CZ-CE2 3.88Å; F899-F1318 AromaticContact CZ-CZ 3.45Å; F899-F1318 HydrophobicContact CZ-CZ 3.45Å; F899-F1318 VanDerWaalsContact CZ-CZ 3.45Å; F899-F1318 WeakPolarHBondContact O-CE2 3.28Å
900K86.1Confident91Very high72 Ų7244.2 Ų44.231%0.31323%0.234SC..SBendtrans-70.2-37.8-175.3-81.4176.8176.4171.50117.6T963 D965 F1318K900-T963 WeakPolarHBondContact CE-O 3.44Å; K900-T963 PolarHBondContact NZ-O 3.45Å; K900-D965 HydrophobicContact CD-CB 3.81Å; K900-D965 WeakPolarHBondContact CE-OD1 3.36Å; K900-D965 HydrophobicContact CG-CB 4.11Å; K900-D965 IonicContact NZ-OD1 2.98Å; K900-D965 PolarHBondContact NZ-OD1 2.68Å; K900-F1318 HydrophobicContact CG-CD2 4.48Å
901P88Confident90.9Very high33 Ų3345.7 Ų45.721%0.21424%0.237CC..SBendtrans-57.9150.7-170.9-28.535.9000114.6P897 V905 F906 R953 R957P897-P901 WeakPolarHBondContact O-CG 3.26Å; P901-V905 HydrophobicContact CB-CB 4.12Å; P901-V905 HydrophobicContact CB-CG1 3.98Å; P901-F906 HydrophobicContact CB-CB 4.4Å; P901-R953 PolarHBondContact O-NH2 3.28Å; P901-R957 PolarHBondContact O-NH2 3.1Å
902S90.8Very high90.7Very high25 Ų2546.6 Ų46.618%0.17524%0.241CC..  trans-64163.2166.8680000110.9A904 V905 F906 D1315S902-A904 VanDerWaalsContact C-N 3.32Å; S902-A904 PolarHBondContact O-N 3.45Å; S902-V905 PolarHBondContact O-N 2.93Å; S902-V905 WeakPolarHBondContact OG-CG2 3.46Å; S902-V905 PolarHBondContact OG-N 2.97Å; S902-F906 VanDerWaalsContact O-CB 3.29Å; S902-F906 WeakPolarHBondContact O-CB 3.21Å; S902-F906 PolarHBondContact O-N 2.83Å; S902-D1315 CarbonylContact C-O 3.59Å; S902-D1315 WeakPolarHBondContact CB-O 3.41Å
903N92.4Very high90.2Very high64 Ų6450.3 Ų50.334%0.34226%0.262SS..Hα-helixtrans-57.8-43.1-178.9-67.1-20.5000111.8F906 E907 R953 D1314 D1315 G1316N903-F906 PolarHBondContact O-N 3.29Å; N903-E907 PolarHBondContact O-N 2.95Å; N903-R953 PolarHBondContact OD1-NH1 3.33Å; N903-R953 PolarHBondContact OD1-NH2 3.37Å; N903-D1314 PolarHBondContact ND2-O 2.83Å; N903-D1315 WeakPolarHBondContact CB-O 3.33Å; N903-D1315 PolarHBondContact N-O 3.04Å; N903-G1316 PolarHBondContact ND2-N 3.17Å
904A92.2Very high89.7Confident70 Ų7048.6 Ų48.658%0.57926%0.256SS*.Hα-helixtrans-65-41.7176.400000112.9S902 F906 H908S902-A904 VanDerWaalsContact C-N 3.32Å; S902-A904 PolarHBondContact O-N 3.45Å; A904-F906 VanDerWaalsContact C-N 3.35Å; A904-H908 VanDerWaalsContact O-CB 3.27Å; A904-H908 WeakPolarHBondContact O-CB 3.44Å; A904-H908 PolarHBondContact O-N 3.13Å
905V91.6Very high89.1Confident84 Ų8451.5 Ų51.551%0.50929%0.288SS..Hα-helixtrans-71.4-32.4177.5177.70000111.3P901 S902 G909P901-V905 HydrophobicContact CB-CB 4.12Å; P901-V905 HydrophobicContact CB-CG1 3.98Å; S902-V905 PolarHBondContact O-N 2.93Å; S902-V905 WeakPolarHBondContact OG-CG2 3.46Å; S902-V905 PolarHBondContact OG-N 2.97Å; V905-G909 WeakPolarHBondContact O-CA 3.37Å; V905-G909 PolarHBondContact O-N 2.96Å
906F92.5Very high88.7Confident4 Ų449.9 Ų49.92%0.01829%0.287CS..Hα-helixtrans-68.5-46.1173.5174.1-111.8000111.8T898 P901 S902 N903 A904 G909 F910 W946 L949 R953T898-F906 HydrophobicContact CG2-CD2 4.29Å; T898-F906 HydrophobicContact CG2-CE2 3.69Å; P901-F906 HydrophobicContact CB-CB 4.4Å; S902-F906 VanDerWaalsContact O-CB 3.29Å; S902-F906 WeakPolarHBondContact O-CB 3.21Å; S902-F906 PolarHBondContact O-N 2.83Å; N903-F906 PolarHBondContact O-N 3.29Å; A904-F906 VanDerWaalsContact C-N 3.35Å; F906-G909 PolarHBondContact O-N 3.29Å; F906-F910 HydrophobicContact CD2-CB 4.42Å; F906-F910 AromaticContact CD2-CD2 3.51Å; F906-F910 HydrophobicContact CD2-CD2 3.51Å; F906-F910 AromaticContact CD2-CE2 3.85Å; F906-F910 HydrophobicContact CD2-CE2 3.85Å; F906-F910 HydrophobicContact CD2-CG 4.04Å; F906-F910 HydrophobicContact CE2-CB 4.19Å; F906-F910 HydrophobicContact CE2-CD1 4.47Å; F906-F910 AromaticContact CE2-CD2 3.91Å; F906-F910 HydrophobicContact CE2-CD2 3.91Å; F906-F910 HydrophobicContact CE2-CE2 4.37Å; F906-F910 AromaticContact CE2-CG 3.97Å; F906-F910 HydrophobicContact CE2-CG 3.97Å; F906-F910 HydrophobicContact CG-CD2 4.42Å; F906-F910 WeakPolarHBondContact O-CB 3.47Å; F906-F910 VanDerWaalsContact O-CD2 3.3Å; F906-F910 WeakPolarHBondContact O-CD2 3.35Å; F906-F910 PolarHBondContact O-N 2.93Å; F906-W946 AromaticContact CD1-CH2 3.53Å; F906-W946 HydrophobicContact CD1-CH2 3.53Å; F906-W946 AromaticContact CD1-CZ3 3.98Å; F906-W946 HydrophobicContact CD1-CZ3 3.98Å; F906-W946 AromaticContact CE1-CH2 3.34Å; F906-W946 HydrophobicContact CE1-CH2 3.34Å; F906-W946 HydrophobicContact CE1-CZ2 4.25Å; F906-W946 AromaticContact CE1-CZ3 3.51Å; F906-W946 HydrophobicContact CE1-CZ3 3.51Å; F906-W946 HydrophobicContact CE2-CZ3 4.38Å; F906-W946 HydrophobicContact CG-CH2 4.41Å; F906-W946 HydrophobicContact CZ-CH2 4.07Å; F906-W946 AromaticContact CZ-CZ3 3.74Å; F906-W946 HydrophobicContact CZ-CZ3 3.74Å; F906-L949 HydrophobicContact CZ-CB 4.15Å; F906-R953 HydrophobicContact CZ-CB 4.32Å
907E92.2Very high88.2Confident83 Ų8353.9 Ų53.939%0.38831%0.306SS..Hα-helixtrans-61.9-48.9173.9-173.5169.5-161.800111.4N903 G909 F910 R911 W946N903-E907 PolarHBondContact O-N 2.95Å; E907-G909 VanDerWaalsContact C-N 3.29Å; E907-G909 PolarHBondContact O-N 2.96Å; E907-F910 PolarHBondContact O-N 3.44Å; E907-R911 HydrophobicContact CG-CB 3.86Å; E907-R911 HydrophobicContact CG-CG 4.44Å; E907-R911 VanDerWaalsContact O-CB 3.27Å; E907-R911 WeakPolarHBondContact O-CB 3.23Å; E907-R911 PolarHBondContact O-N 3.03Å; E907-R911 VanDerWaalsContact OE1-CD 3.23Å; E907-R911 WeakPolarHBondContact OE1-CD 3Å; E907-R911 IonicContact OE1-CZ 2.68Å; E907-R911 IonicContact OE1-NE 3.76Å; E907-R911 IonicContact OE1-NH1 3.12Å; E907-R911 PolarHBondContact OE1-NH1 2.76Å; E907-W946 HydrophobicContact CB-CH2 3.96Å; E907-W946 HydrophobicContact CB-CZ2 4.24Å; E907-W946 HydrophobicContact CG-CH2 4.21Å; E907-W946 HydrophobicContact CG-CZ2 4.13Å
908H90.2Very high87.9Confident152 Ų15262.6 Ų62.670%0.70433%0.333SS*.Hα-helixtrans-60.1-37.3175.8-176.4-86.1000112.8A904 K1042A904-H908 VanDerWaalsContact O-CB 3.27Å; A904-H908 WeakPolarHBondContact O-CB 3.44Å; A904-H908 PolarHBondContact O-N 3.13Å; H908-K1042 WeakPolarHBondContact O-CE 3.47Å; H908-K1042 PolarHBondContact O-NZ 3.08Å
909G89.4Confident87.6Confident23 Ų2365.1 Ų65.124%0.23735%0.349CS..Hα-helixtrans-80.1-25.6-177.400000115.4V905 F906 E907V905-G909 WeakPolarHBondContact O-CA 3.37Å; V905-G909 PolarHBondContact O-N 2.96Å; F906-G909 PolarHBondContact O-N 3.29Å; E907-G909 VanDerWaalsContact C-N 3.29Å; E907-G909 PolarHBondContact O-N 2.96Å
910F92.7Very high87.5Confident11 Ų1165.3 Ų65.35%0.04835%0.35CS..Hα-helixtrans-130.4-28.3-167.4-62.5-102.9000114.8P897 T898 F906 E907 F912 W946 L949 A1037P897-F910 HydrophobicContact CB-CZ 4.07Å; P897-F910 HydrophobicContact CG-CE1 4.45Å; P897-F910 HydrophobicContact CG-CZ 4.29Å; P897-F910 WeakPolarHBondContact O-CZ 3.37Å; T898-F910 HydrophobicContact CG2-CD1 4.02Å; T898-F910 HydrophobicContact CG2-CE1 3.43Å; T898-F910 VanDerWaalsContact CG2-CE1 3.43Å; T898-F910 HydrophobicContact CG2-CE2 4.29Å; T898-F910 HydrophobicContact CG2-CZ 3.59Å; F906-F910 HydrophobicContact CD2-CB 4.42Å; F906-F910 AromaticContact CD2-CD2 3.51Å; F906-F910 HydrophobicContact CD2-CD2 3.51Å; F906-F910 AromaticContact CD2-CE2 3.85Å; F906-F910 HydrophobicContact CD2-CE2 3.85Å; F906-F910 HydrophobicContact CD2-CG 4.04Å; F906-F910 HydrophobicContact CE2-CB 4.19Å; F906-F910 HydrophobicContact CE2-CD1 4.47Å; F906-F910 AromaticContact CE2-CD2 3.91Å; F906-F910 HydrophobicContact CE2-CD2 3.91Å; F906-F910 HydrophobicContact CE2-CE2 4.37Å; F906-F910 AromaticContact CE2-CG 3.97Å; F906-F910 HydrophobicContact CE2-CG 3.97Å; F906-F910 HydrophobicContact CG-CD2 4.42Å; F906-F910 WeakPolarHBondContact O-CB 3.47Å; F906-F910 VanDerWaalsContact O-CD2 3.3Å; F906-F910 WeakPolarHBondContact O-CD2 3.35Å; F906-F910 PolarHBondContact O-N 2.93Å; E907-F910 PolarHBondContact O-N 3.44Å; F910-F912 PolarHBondContact O-N 2.75Å; F910-W946 HydrophobicContact CB-CZ3 4.04Å; F910-L949 HydrophobicContact CB-CD1 4.35Å; F910-L949 HydrophobicContact CD1-CD1 4.48Å; F910-A1037 HydrophobicContact CE1-CB 4.42Å; F910-A1037 VanDerWaalsContact CE1-O 3.24Å; F910-A1037 WeakPolarHBondContact CE1-O 3.24Å
911R92.2Very high87.4Confident89 Ų8966.7 Ų66.734%0.33635%0.353SS..  trans-74.2122.4-178.7-169.1177.8-174.3-163.8-0.4111.6E907 D913 E943 W946 K1042E907-R911 HydrophobicContact CG-CB 3.86Å; E907-R911 HydrophobicContact CG-CG 4.44Å; E907-R911 VanDerWaalsContact O-CB 3.27Å; E907-R911 WeakPolarHBondContact O-CB 3.23Å; E907-R911 PolarHBondContact O-N 3.03Å; E907-R911 VanDerWaalsContact OE1-CD 3.23Å; E907-R911 WeakPolarHBondContact OE1-CD 3Å; E907-R911 IonicContact OE1-CZ 2.68Å; E907-R911 IonicContact OE1-NE 3.76Å; E907-R911 IonicContact OE1-NH1 3.12Å; E907-R911 PolarHBondContact OE1-NH1 2.76Å; R911-D913 PolarHBondContact O-N 3.29Å; R911-D913 VanDerWaalsContact O-N 3.1Å; R911-E943 IonicContact NE-OE2 3.68Å; R911-E943 IonicContact NH2-OE1 2.67Å; R911-E943 IonicContact NH2-OE2 3.67Å; R911-E943 PolarHBondContact NH2-OE2 3.49Å; R911-W946 HydrophobicContact CB-CD2 3.85Å; R911-W946 HydrophobicContact CB-CE3 3.68Å; R911-W946 HydrophobicContact CB-CH2 4.04Å; R911-W946 HydrophobicContact CB-CZ2 4.17Å; R911-W946 HydrophobicContact CB-CZ3 3.79Å; R911-W946 HydrophobicContact CG-CD2 3.76Å; R911-W946 HydrophobicContact CG-CE3 4.11Å; R911-W946 HydrophobicContact CG-CG 4.03Å; R911-W946 HydrophobicContact CG-CZ2 4.41Å; R911-K1042 VanDerWaalsContact O-CD 3.31Å; R911-K1042 WeakPolarHBondContact O-CD 3.13Å; R911-K1042 WeakPolarHBondContact O-CE 3.28Å; R911-K1042 PolarHBondContact O-NZ 2.87Å
912F87.6Confident87.3Confident19 Ų1973.7 Ų73.78%0.08338%0.375CS..  trans-77.893.8178.9-162.3-81.2000110.8F910 I914 L920 M924 L932 L942 P996 K1042 I1045F910-F912 PolarHBondContact O-N 2.75Å; F912-I914 HydrophobicContact CD1-CG1 3.88Å; F912-I914 HydrophobicContact CE1-CG1 4.2Å; F912-I914 PolarHBondContact O-N 2.57Å; F912-L920 HydrophobicContact CE1-CD1 4.49Å; F912-L920 HydrophobicContact CE1-CD2 3.68Å; F912-L920 HydrophobicContact CE2-CD2 4.45Å; F912-L920 HydrophobicContact CZ-CD2 3.45Å; F912-L920 VanDerWaalsContact CZ-CD2 3.45Å; F912-M924 HydrophobicContact CE2-CE 4.24Å; F912-M924 HydrophobicContact CZ-CE 3.6Å; F912-L932 HydrophobicContact CE1-CD1 4.49Å; F912-L942 HydrophobicContact CB-CD2 4.36Å; F912-L942 HydrophobicContact CD1-CD1 3.86Å; F912-L942 HydrophobicContact CE1-CD1 4.32Å; F912-L942 HydrophobicContact CG-CD1 4.38Å; F912-L942 HydrophobicContact CG-CD2 4.33Å; F912-P996 HydrophobicContact CE1-CG 4.45Å; F912-P996 HydrophobicContact CE2-CG 4.39Å; F912-P996 HydrophobicContact CZ-CG 4Å; F912-K1042 HydrophobicContact CD2-CB 4.09Å; F912-I1045 HydrophobicContact CE2-CD1 4.33Å
913D83.7Confident87.1Confident91 Ų9172.6 Ų72.649%0.48737%0.367SS..  trans-78.4113.8178.7177.517.9000111.4R911 G915 N916R911-D913 PolarHBondContact O-N 3.29Å; R911-D913 VanDerWaalsContact O-N 3.1Å; D913-G915 PolarHBondContact OD1-N 3.36Å; D913-N916 WeakPolarHBondContact OD2-CB 3.46Å
914I82.6Confident86.7Confident42 Ų4269.5 Ų69.522%0.21535%0.351CS..SBendtrans-82.8-22.3-179.7-56.6175000111.3F912 N916 L932 Q939 L942F912-I914 HydrophobicContact CD1-CG1 3.88Å; F912-I914 HydrophobicContact CE1-CG1 4.2Å; F912-I914 PolarHBondContact O-N 2.57Å; I914-N916 VanDerWaalsContact C-N 3.32Å; I914-N916 PolarHBondContact O-N 3.41Å; I914-L932 HydrophobicContact CG2-CB 4.47Å; I914-Q939 HydrophobicContact CD1-CB 4.33Å; I914-Q939 HydrophobicContact CD1-CG 3.71Å; I914-L942 HydrophobicContact CD1-CD1 3.89Å; I914-L942 HydrophobicContact CG1-CD1 4.46Å
915G80Confident86.5Confident69 Ų6968.2 Ų68.271%0.71134%0.336SS*.SBendtrans-70.2-25.4179.700000113.7D913 E917D913-G915 PolarHBondContact OD1-N 3.36Å; G915-E917 VanDerWaalsContact C-N 3.26Å; G915-E917 PolarHBondContact O-N 2.84Å
916N82.3Confident86.2Confident71 Ų7167.8 Ų67.838%0.3833%0.329SS..  trans-83.765.8179.7-161.5-21.2000112.7D913 I914 R918 V919 L920D913-N916 WeakPolarHBondContact OD2-CB 3.46Å; I914-N916 VanDerWaalsContact C-N 3.32Å; I914-N916 PolarHBondContact O-N 3.41Å; N916-R918 PolarHBondContact O-N 2.95Å; N916-V919 PolarHBondContact O-N 3.09Å; N916-V919 PolarHBondContact OD1-N 3.1Å; N916-L920 PolarHBondContact O-N 2.92Å
917E79.2Confident85.8Confident86 Ų8672.9 Ų72.940%0.40236%0.356SS..Hα-helixtrans-53-32.9-177.3-164.8-172.7-173.600112.9G915 V919 L920 R921 V929G915-E917 VanDerWaalsContact C-N 3.26Å; G915-E917 PolarHBondContact O-N 2.84Å; E917-V919 VanDerWaalsContact C-N 3.35Å; E917-V919 PolarHBondContact O-N 3.39Å; E917-L920 PolarHBondContact O-N 2.77Å; E917-R921 HydrophobicContact CG-CG 4.15Å; E917-R921 WeakPolarHBondContact O-CB 3.46Å; E917-R921 WeakPolarHBondContact O-CG 3.31Å; E917-R921 PolarHBondContact O-N 3.3Å; E917-R921 IonicContact OE1-CZ 2.73Å; E917-R921 IonicContact OE1-NE 3.47Å; E917-R921 PolarHBondContact OE1-NE 3.35Å; E917-R921 IonicContact OE1-NH2 2.79Å; E917-R921 PolarHBondContact OE1-NH2 3.12Å; E917-R921 IonicContact OE2-NH2 3.15Å; E917-V929 HydrophobicContact CG-CG1 3.82Å
918R84.6Confident85.5Confident223 Ų22369.8 Ų69.884%0.84234%0.343SS*.Hα-helixtrans-63-38.4178.6-173.4178.7-177.6-176.91.8112.6N916 R922N916-R918 PolarHBondContact O-N 2.95Å; R918-R922 PolarHBondContact O-N 3.32Å
919V83.2Confident85.3Confident56 Ų5662.8 Ų62.834%0.33931%0.311SS..Hα-helixtrans-71.4-45.2174.9174.90000109.4N916 E917 R921 R922 C923 I1046N916-V919 PolarHBondContact O-N 3.09Å; N916-V919 PolarHBondContact OD1-N 3.1Å; E917-V919 VanDerWaalsContact C-N 3.35Å; E917-V919 PolarHBondContact O-N 3.39Å; V919-R921 PolarHBondContact O-N 3.03Å; V919-R922 WeakPolarHBondContact O-CB 3.35Å; V919-R922 PolarHBondContact O-N 2.72Å; V919-R922 VanDerWaalsContact O-N 3.15Å; V919-C923 PolarHBondContact O-N 2.92Å; V919-C923 VanDerWaalsContact O-N 3.12Å; V919-C923 PolarHBondContact O-SG 3.33Å; V919-I1046 HydrophobicContact CG1-CD1 4.04Å
920L83.5Confident85Confident4 Ų469 Ų692%0.02133%0.328CS..Hα-helixtrans-60.3-47.7179.8-62.1-176.4000112.8F912 N916 E917 R922 C923 M924 V929F912-L920 HydrophobicContact CE1-CD1 4.49Å; F912-L920 HydrophobicContact CE1-CD2 3.68Å; F912-L920 HydrophobicContact CE2-CD2 4.45Å; F912-L920 HydrophobicContact CZ-CD2 3.45Å; F912-L920 VanDerWaalsContact CZ-CD2 3.45Å; N916-L920 PolarHBondContact O-N 2.92Å; E917-L920 PolarHBondContact O-N 2.77Å; L920-R922 PolarHBondContact O-N 3.27Å; L920-C923 PolarHBondContact O-N 3.13Å; L920-M924 HydrophobicContact CD2-CE 4.35Å; L920-M924 WeakPolarHBondContact O-CB 3.47Å; L920-M924 PolarHBondContact O-N 3.09Å; L920-V929 HydrophobicContact CB-CG1 3.98Å; L920-V929 HydrophobicContact CB-CG2 3.92Å; L920-V929 HydrophobicContact CD1-CG1 4.48Å
921R84.8Confident84.6Confident101 Ų10170.3 Ų70.338%0.38134%0.338SS..Hα-helixtrans-64.1-21.5176.9-71.7-170.8-172.7-158.821.5114.1E917 V919 E926 V929 K991E917-R921 HydrophobicContact CG-CG 4.15Å; E917-R921 WeakPolarHBondContact O-CB 3.46Å; E917-R921 WeakPolarHBondContact O-CG 3.31Å; E917-R921 PolarHBondContact O-N 3.3Å; E917-R921 IonicContact OE1-CZ 2.73Å; E917-R921 IonicContact OE1-NE 3.47Å; E917-R921 PolarHBondContact OE1-NE 3.35Å; E917-R921 IonicContact OE1-NH2 2.79Å; E917-R921 PolarHBondContact OE1-NH2 3.12Å; E917-R921 IonicContact OE2-NH2 3.15Å; V919-R921 PolarHBondContact O-N 3.03Å; R921-E926 IonicContact CZ-OE1 3.33Å; R921-E926 IonicContact NH1-OE1 3Å; R921-E926 PolarHBondContact NH1-OE1 2.8Å; R921-V929 HydrophobicContact CG-CB 4.4Å; R921-V929 HydrophobicContact CG-CG1 4.04Å; R921-V929 HydrophobicContact CG-CG2 4.22Å; R921-K991 WeakPolarHBondContact O-CE 3.39Å; R921-K991 PolarHBondContact O-NZ 3.48Å
922R86.1Confident84.2Confident181 Ų18166 Ų6668%0.68332%0.322SS*.Hα-helixtrans-75.6-36.2169.6-175179.6179.2-178.80.2111.2R918 V919 L920R918-R922 PolarHBondContact O-N 3.32Å; V919-R922 WeakPolarHBondContact O-CB 3.35Å; V919-R922 PolarHBondContact O-N 2.72Å; V919-R922 VanDerWaalsContact O-N 3.15Å; L920-R922 PolarHBondContact O-N 3.27Å
923C85.9Confident83.9Confident1 Ų168.3 Ų68.31%0.00734%0.344CS..Hα-helixtrans-86.6-31.9-173.1-60.80000114.5V919 L920 K991 T992 I1045 R1049V919-C923 PolarHBondContact O-N 2.92Å; V919-C923 VanDerWaalsContact O-N 3.12Å; V919-C923 PolarHBondContact O-SG 3.33Å; L920-C923 PolarHBondContact O-N 3.13Å; C923-K991 CarbonylContact O-C 3.44Å; C923-K991 VanDerWaalsContact O-CA 3.31Å; C923-K991 WeakPolarHBondContact O-CA 3.46Å; C923-T992 PolarHBondContact O-N 3.05Å; C923-T992 PolarHBondContact O-OG1 2.94Å; C923-I1045 HydrophobicContact CB-CG2 4.13Å; C923-R1049 PolarHBondContact SG-NH1 3.32Å; C923-R1049 PolarHBondContact SG-NH2 3.19Å
924M85Confident84Confident0 Ų069.6 Ų69.60%036%0.355CS..SBendtrans-128.5159.2-166.6-65173.7178.700111.8F912 L920 V928 V929 L932 K991 P996 I1045F912-M924 HydrophobicContact CE2-CE 4.24Å; F912-M924 HydrophobicContact CZ-CE 3.6Å; L920-M924 HydrophobicContact CD2-CE 4.35Å; L920-M924 WeakPolarHBondContact O-CB 3.47Å; L920-M924 PolarHBondContact O-N 3.09Å; M924-V928 HydrophobicContact CG-CG1 4.46Å; M924-V928 HydrophobicContact SD-CG1 3.7Å; M924-V929 HydrophobicContact CB-CG2 3.82Å; M924-V929 HydrophobicContact SD-CG2 4.28Å; M924-L932 HydrophobicContact CE-CD1 3.84Å; M924-L932 HydrophobicContact SD-CD1 3.54Å; M924-L932 VanDerWaalsContact SD-CD1 3.54Å; M924-K991 WeakPolarHBondContact O-CD 3.44Å; M924-K991 WeakPolarHBondContact O-CE 3.32Å; M924-K991 PolarHBondContact O-NZ 2.9Å; M924-P996 HydrophobicContact CE-CG 3.49Å; M924-P996 VanDerWaalsContact CE-CG 3.49Å; M924-I1045 HydrophobicContact CE-CD1 3.8Å; M924-I1045 HydrophobicContact CE-CG2 3.69Å; M924-I1045 HydrophobicContact CG-CG2 4.34Å
925P86.8Confident84.1Confident42 Ų4269.8 Ų69.827%0.27336%0.356SS..  trans-66.2153.5164.934.1-38.1000110.9D927 V928 V929 T992P925-D927 VanDerWaalsContact C-N 3.33Å; P925-D927 VanDerWaalsContact C-OD1 3.29Å; P925-D927 WeakPolarHBondContact CB-OD1 3.22Å; P925-D927 VanDerWaalsContact CG-OD1 3.24Å; P925-D927 WeakPolarHBondContact CG-OD1 3.43Å; P925-D927 PolarHBondContact O-N 3.45Å; P925-V928 HydrophobicContact CG-CB 4.33Å; P925-V928 HydrophobicContact CG-CG2 3.93Å; P925-V928 PolarHBondContact O-N 3.19Å; P925-V929 PolarHBondContact O-N 3.37Å; P925-T992 WeakPolarHBondContact CD-O 3.44Å
926E84.7Confident84.5Confident76 Ų7670.7 Ų70.736%0.35535%0.352SS..Hα-helixtrans-69.4-27.4-168-71-153.6153.300114.4R921 V929 R930R921-E926 IonicContact CZ-OE1 3.33Å; R921-E926 IonicContact NH1-OE1 3Å; R921-E926 PolarHBondContact NH1-OE1 2.8Å; E926-V929 PolarHBondContact O-N 3.42Å; E926-R930 VanDerWaalsContact O-CG 3.28Å; E926-R930 WeakPolarHBondContact O-CG 3.41Å; E926-R930 PolarHBondContact O-N 3.43Å; E926-R930 IonicContact OE2-CZ 2.73Å; E926-R930 IonicContact OE2-NH2 3.87Å; E926-R930 PolarHBondContact OE2-NH2 2.78Å
927D85.1Confident84.8Confident110 Ų11073 Ų7359%0.58836%0.36SS*.Hα-helixtrans-58.6-47.5173.657.2-26.8000111.5P925 R930 S931P925-D927 VanDerWaalsContact C-N 3.33Å; P925-D927 VanDerWaalsContact C-OD1 3.29Å; P925-D927 WeakPolarHBondContact CB-OD1 3.22Å; P925-D927 VanDerWaalsContact CG-OD1 3.24Å; P925-D927 WeakPolarHBondContact CG-OD1 3.43Å; P925-D927 PolarHBondContact O-N 3.45Å; D927-R930 PolarHBondContact O-N 3.01Å; D927-S931 PolarHBondContact O-N 2.76Å
928V86Confident85.2Confident19 Ų1968.9 Ų68.912%0.11534%0.341CS..Hα-helixtrans-65.7-38.9175.4175.90000111.4M924 P925 R930 S931 L932M924-V928 HydrophobicContact CG-CG1 4.46Å; M924-V928 HydrophobicContact SD-CG1 3.7Å; P925-V928 HydrophobicContact CG-CB 4.33Å; P925-V928 HydrophobicContact CG-CG2 3.93Å; P925-V928 PolarHBondContact O-N 3.19Å; V928-R930 VanDerWaalsContact C-N 3.34Å; V928-R930 PolarHBondContact O-N 3.4Å; V928-S931 WeakPolarHBondContact CA-OG 3.19Å; V928-S931 PolarHBondContact O-N 2.93Å; V928-S931 PolarHBondContact O-OG 2.99Å; V928-L932 HydrophobicContact CG1-CD1 4.06Å; V928-L932 HydrophobicContact CG1-CG 4.43Å; V928-L932 VanDerWaalsContact O-CG 3.25Å; V928-L932 WeakPolarHBondContact O-CG 3.29Å; V928-L932 PolarHBondContact O-N 3Å
929V85.1Confident85.3Confident5 Ų561.8 Ų61.83%0.0332%0.318CS..Hα-helixtrans-64.7-40.5177-177.40000111.4E917 L920 R921 M924 P925 E926 L932 A933E917-V929 HydrophobicContact CG-CG1 3.82Å; L920-V929 HydrophobicContact CB-CG1 3.98Å; L920-V929 HydrophobicContact CB-CG2 3.92Å; L920-V929 HydrophobicContact CD1-CG1 4.48Å; R921-V929 HydrophobicContact CG-CB 4.4Å; R921-V929 HydrophobicContact CG-CG1 4.04Å; R921-V929 HydrophobicContact CG-CG2 4.22Å; M924-V929 HydrophobicContact CB-CG2 3.82Å; M924-V929 HydrophobicContact SD-CG2 4.28Å; P925-V929 PolarHBondContact O-N 3.37Å; E926-V929 PolarHBondContact O-N 3.42Å; V929-L932 PolarHBondContact O-N 3.23Å; V929-A933 PolarHBondContact O-N 3.47Å
930R84.1Confident85.7Confident154 Ų15462.9 Ų62.958%0.58133%0.328SS*.Hα-helixtrans-65.5-42.4174.5-68.3173.2-152-174.47.7111.4E926 D927 V928 L932 A933 T934E926-R930 VanDerWaalsContact O-CG 3.28Å; E926-R930 WeakPolarHBondContact O-CG 3.41Å; E926-R930 PolarHBondContact O-N 3.43Å; E926-R930 IonicContact OE2-CZ 2.73Å; E926-R930 IonicContact OE2-NH2 3.87Å; E926-R930 PolarHBondContact OE2-NH2 2.78Å; D927-R930 PolarHBondContact O-N 3.01Å; V928-R930 VanDerWaalsContact C-N 3.34Å; V928-R930 PolarHBondContact O-N 3.4Å; R930-L932 VanDerWaalsContact C-N 3.33Å; R930-L932 PolarHBondContact O-N 3.25Å; R930-A933 PolarHBondContact O-N 3.4Å; R930-T934 PolarHBondContact O-N 2.88Å; R930-T934 PolarHBondContact O-OG1 3.29Å
931S84Confident86.1Confident37 Ų3765.1 Ų65.126%0.25934%0.338SS..Hα-helixtrans-61.3-41.2178.271.90000111.8D927 V928 A933 T934 D935 H995D927-S931 PolarHBondContact O-N 2.76Å; V928-S931 WeakPolarHBondContact CA-OG 3.19Å; V928-S931 PolarHBondContact O-N 2.93Å; V928-S931 PolarHBondContact O-OG 2.99Å; S931-A933 VanDerWaalsContact C-N 3.33Å; S931-A933 PolarHBondContact O-N 2.85Å; S931-T934 PolarHBondContact O-N 3.38Å; S931-T934 VanDerWaalsContact O-N 3.15Å; S931-T934 PolarHBondContact O-OG1 2.83Å; S931-T934 VanDerWaalsContact O-OG1 3.07Å; S931-D935 VanDerWaalsContact O-CB 3.31Å; S931-D935 WeakPolarHBondContact O-CB 3.41Å; S931-D935 PolarHBondContact O-N 2.83Å; S931-H995 PolarHBondContact OG-NE2 3.29Å
932L84.1Confident86.4Confident0 Ų060.7 Ų60.70%032%0.322CS..Hα-helixtrans-63.3-33.7176.7-70.1168000113.7F912 I914 M924 V928 V929 R930 T938 Q939 L942 P996F912-L932 HydrophobicContact CE1-CD1 4.49Å; I914-L932 HydrophobicContact CG2-CB 4.47Å; M924-L932 HydrophobicContact CE-CD1 3.84Å; M924-L932 HydrophobicContact SD-CD1 3.54Å; M924-L932 VanDerWaalsContact SD-CD1 3.54Å; V928-L932 HydrophobicContact CG1-CD1 4.06Å; V928-L932 HydrophobicContact CG1-CG 4.43Å; V928-L932 VanDerWaalsContact O-CG 3.25Å; V928-L932 WeakPolarHBondContact O-CG 3.29Å; V928-L932 PolarHBondContact O-N 3Å; V929-L932 PolarHBondContact O-N 3.23Å; R930-L932 VanDerWaalsContact C-N 3.33Å; R930-L932 PolarHBondContact O-N 3.25Å; L932-T938 HydrophobicContact CD2-CG2 3.46Å; L932-T938 VanDerWaalsContact CD2-CG2 3.46Å; L932-Q939 PolarHBondContact O-NE2 2.86Å; L932-L942 HydrophobicContact CD2-CD1 4.26Å; L932-P996 HydrophobicContact CD1-CG 3.87Å; L932-P996 HydrophobicContact CD2-CB 4.32Å; L932-P996 HydrophobicContact CD2-CG 3.81Å; L932-P996 HydrophobicContact CG-CG 4.45Å
933A81.5Confident86.7Confident67 Ų6755.8 Ų55.855%0.55431%0.307SS*.Hα-helixtrans-71.5-31.4174.600000112.5V929 R930 S931 Q939V929-A933 PolarHBondContact O-N 3.47Å; R930-A933 PolarHBondContact O-N 3.4Å; S931-A933 VanDerWaalsContact C-N 3.33Å; S931-A933 PolarHBondContact O-N 2.85Å; A933-Q939 PolarHBondContact O-NE2 3.03Å
934T84.9Confident87Confident117 Ų11757.6 Ų57.672%0.71832%0.32SS*.Hα-helixtrans-95.4-31.1-176.854.50000115.4R930 S931 S936R930-T934 PolarHBondContact O-N 2.88Å; R930-T934 PolarHBondContact O-OG1 3.29Å; S931-T934 PolarHBondContact O-N 3.38Å; S931-T934 VanDerWaalsContact O-N 3.15Å; S931-T934 PolarHBondContact O-OG1 2.83Å; S931-T934 VanDerWaalsContact O-OG1 3.07Å; T934-S936 PolarHBondContact O-N 3.47Å
935D86.2Confident87.5Confident46 Ų4658.6 Ų58.625%0.24632%0.324CS..  trans-87.598.2-171.717928.5000112.5S931 Q937 T938 Q939S931-D935 VanDerWaalsContact O-CB 3.31Å; S931-D935 WeakPolarHBondContact O-CB 3.41Å; S931-D935 PolarHBondContact O-N 2.83Å; D935-Q937 PolarHBondContact O-N 2.89Å; D935-Q937 WeakPolarHBondContact OD1-CB 3.4Å; D935-Q937 PolarHBondContact OD1-N 3.23Å; D935-T938 PolarHBondContact O-N 3.15Å; D935-T938 WeakPolarHBondContact OD2-CB 3.47Å; D935-T938 PolarHBondContact OD2-N 3.46Å; D935-T938 PolarHBondContact OD2-OG1 3.11Å; D935-Q939 WeakPolarHBondContact O-CG 3.18Å; D935-Q939 PolarHBondContact O-N 2.82Å; D935-Q939 VanDerWaalsContact O-N 3.13Å
936S87.6Confident87.9Confident88 Ų8858 Ų5862%0.61532%0.316SS*.Hα-helixtrans-58-27.2173.4-179.90000113.5T934 S940T934-S936 PolarHBondContact O-N 3.47Å; S936-S940 WeakPolarHBondContact O-CB 3.47Å; S936-S940 PolarHBondContact O-N 3.14Å
937Q88.5Confident88.4Confident119 Ų11959.4 Ų59.456%0.55633%0.326SS*.Hα-helixtrans-68.5-49.1176.9-62.1-171.5-0.400111.1D935 Q939 S940 E941D935-Q937 PolarHBondContact O-N 2.89Å; D935-Q937 WeakPolarHBondContact OD1-CB 3.4Å; D935-Q937 PolarHBondContact OD1-N 3.23Å; Q937-Q939 VanDerWaalsContact C-N 3.29Å; Q937-Q939 PolarHBondContact O-N 2.92Å; Q937-S940 WeakPolarHBondContact O-CB 3.44Å; Q937-S940 PolarHBondContact O-N 3.12Å; Q937-S940 VanDerWaalsContact O-N 3.17Å; Q937-E941 PolarHBondContact O-N 3.21Å
938T87.6Confident88.8Confident1 Ų158 Ų581%0.00632%0.316CS..Hα-helixtrans-63.2-36.1176.8-62.60000112L932 D935 E941 L942 H995 R997L932-T938 HydrophobicContact CD2-CG2 3.46Å; L932-T938 VanDerWaalsContact CD2-CG2 3.46Å; D935-T938 PolarHBondContact O-N 3.15Å; D935-T938 WeakPolarHBondContact OD2-CB 3.47Å; D935-T938 PolarHBondContact OD2-N 3.46Å; D935-T938 PolarHBondContact OD2-OG1 3.11Å; T938-E941 PolarHBondContact O-N 3.08Å; T938-L942 HydrophobicContact CG2-CD1 3.86Å; T938-L942 HydrophobicContact CG2-CG 4.28Å; T938-L942 WeakPolarHBondContact O-CB 3.4Å; T938-L942 VanDerWaalsContact O-CG 3.31Å; T938-L942 WeakPolarHBondContact O-CG 3.22Å; T938-L942 PolarHBondContact O-N 3.1Å; T938-H995 PolarHBondContact OG1-CE1 2.91Å; T938-R997 HydrophobicContact CG2-CB 3.99Å; T938-R997 WeakPolarHBondContact OG1-CD 3.28Å
939Q87.4Confident89.2Confident73 Ų7357.2 Ų57.234%0.34131%0.311SS..Hα-helixtrans-60.6-45.2172.8-66.5176.66.700111.6I914 L932 A933 D935 Q937 E941 L942 E943I914-Q939 HydrophobicContact CD1-CB 4.33Å; I914-Q939 HydrophobicContact CD1-CG 3.71Å; L932-Q939 PolarHBondContact O-NE2 2.86Å; A933-Q939 PolarHBondContact O-NE2 3.03Å; D935-Q939 WeakPolarHBondContact O-CG 3.18Å; D935-Q939 PolarHBondContact O-N 2.82Å; D935-Q939 VanDerWaalsContact O-N 3.13Å; Q937-Q939 VanDerWaalsContact C-N 3.29Å; Q937-Q939 PolarHBondContact O-N 2.92Å; Q939-E941 PolarHBondContact O-N 2.82Å; Q939-L942 PolarHBondContact O-N 3.4Å; Q939-E943 PolarHBondContact O-N 3.31Å
940S91.2Very high89.7Confident79 Ų7959.1 Ų59.155%0.55232%0.324SS*.Hα-helixtrans-64.5-37.6175.5-171.40000112.7S936 Q937 S944S936-S940 WeakPolarHBondContact O-CB 3.47Å; S936-S940 PolarHBondContact O-N 3.14Å; Q937-S940 WeakPolarHBondContact O-CB 3.44Å; Q937-S940 PolarHBondContact O-N 3.12Å; Q937-S940 VanDerWaalsContact O-N 3.17Å; S940-S944 WeakPolarHBondContact O-CB 3.35Å; S940-S944 PolarHBondContact O-N 2.91Å; S940-S944 PolarHBondContact O-OG 2.69Å
941E91.5Very high90.1Very high52 Ų5254.3 Ų54.324%0.24331%0.314CS..Hα-helixtrans-66.3-43.1177-78.4-68.6-177.800111.7Q937 T938 Q939 S944 E945 R1004Q937-E941 PolarHBondContact O-N 3.21Å; T938-E941 PolarHBondContact O-N 3.08Å; Q939-E941 PolarHBondContact O-N 2.82Å; E941-S944 PolarHBondContact O-N 2.68Å; E941-S944 PolarHBondContact O-OG 3.43Å; E941-S944 PolarHBondContact OE2-OG 2.83Å; E941-E945 PolarHBondContact O-N 2.84Å; E941-R1004 IonicContact OE1-NH1 3.98Å; E941-R1004 IonicContact OE2-CZ 3.19Å; E941-R1004 IonicContact OE2-NH1 3.74Å; E941-R1004 PolarHBondContact OE2-NH1 2.75Å; E941-R1004 IonicContact OE2-NH2 2.76Å
942L91.2Very high90.6Very high7 Ų752.8 Ų52.84%0.03730%0.303CS..Hα-helixtrans-68.1-39.8177.8-69.4168.4000112.8F912 I914 L932 T938 Q939 S944 E945 W946 P996 V1000 S1041F912-L942 HydrophobicContact CB-CD2 4.36Å; F912-L942 HydrophobicContact CD1-CD1 3.86Å; F912-L942 HydrophobicContact CE1-CD1 4.32Å; F912-L942 HydrophobicContact CG-CD1 4.38Å; F912-L942 HydrophobicContact CG-CD2 4.33Å; I914-L942 HydrophobicContact CD1-CD1 3.89Å; I914-L942 HydrophobicContact CG1-CD1 4.46Å; L932-L942 HydrophobicContact CD2-CD1 4.26Å; T938-L942 HydrophobicContact CG2-CD1 3.86Å; T938-L942 HydrophobicContact CG2-CG 4.28Å; T938-L942 WeakPolarHBondContact O-CB 3.4Å; T938-L942 VanDerWaalsContact O-CG 3.31Å; T938-L942 WeakPolarHBondContact O-CG 3.22Å; T938-L942 PolarHBondContact O-N 3.1Å; Q939-L942 PolarHBondContact O-N 3.4Å; L942-S944 VanDerWaalsContact C-N 3.28Å; L942-S944 PolarHBondContact O-N 3.42Å; L942-E945 WeakPolarHBondContact O-CB 3.34Å; L942-E945 PolarHBondContact O-N 3.33Å; L942-W946 PolarHBondContact O-N 3.3Å; L942-P996 HydrophobicContact CD1-CB 4.08Å; L942-P996 HydrophobicContact CD2-CB 3.79Å; L942-P996 HydrophobicContact CG-CB 4.42Å; L942-V1000 HydrophobicContact CD2-CG2 4.2Å; L942-S1041 WeakPolarHBondContact CD2-OG 3.43Å
943E92.1Very high90.9Very high79 Ų7953.7 Ų53.737%0.36931%0.306SS..Hα-helixtrans-67.1-32.5173.5-16865-15000110.9R911 Q939 W946 L947R911-E943 IonicContact NE-OE2 3.68Å; R911-E943 IonicContact NH2-OE1 2.67Å; R911-E943 IonicContact NH2-OE2 3.67Å; R911-E943 PolarHBondContact NH2-OE2 3.49Å; Q939-E943 PolarHBondContact O-N 3.31Å; E943-W946 WeakPolarHBondContact O-CB 3.32Å; E943-W946 PolarHBondContact O-N 3.45Å; E943-L947 WeakPolarHBondContact O-CG 3.28Å; E943-L947 PolarHBondContact O-N 3.24Å
944S93.3Very high91.4Very high39 Ų3957.4 Ų57.427%0.27331%0.312SS..Hα-helixtrans-71.8-30.5173.378.90000113.9S940 E941 L942 Q948 R1004S940-S944 WeakPolarHBondContact O-CB 3.35Å; S940-S944 PolarHBondContact O-N 2.91Å; S940-S944 PolarHBondContact O-OG 2.69Å; E941-S944 PolarHBondContact O-N 2.68Å; E941-S944 PolarHBondContact O-OG 3.43Å; E941-S944 PolarHBondContact OE2-OG 2.83Å; L942-S944 VanDerWaalsContact C-N 3.28Å; L942-S944 PolarHBondContact O-N 3.42Å; S944-Q948 WeakPolarHBondContact O-CB 3.26Å; S944-Q948 PolarHBondContact O-N 3.03Å; S944-Q948 VanDerWaalsContact O-N 3.11Å; S944-R1004 PolarHBondContact OG-NH2 2.78Å
945E95Very high91.7Very high20 Ų2054.7 Ų54.79%0.09329%0.292CS..Hα-helixtrans-62.6-47.2167-179.4-171.3-145.900110.4E941 L942 Q948 L949 V1000 C1040 S1041E941-E945 PolarHBondContact O-N 2.84Å; L942-E945 WeakPolarHBondContact O-CB 3.34Å; L942-E945 PolarHBondContact O-N 3.33Å; E945-Q948 PolarHBondContact O-N 3.08Å; E945-L949 HydrophobicContact CG-CD1 4.31Å; E945-L949 WeakPolarHBondContact O-CG 3.4Å; E945-L949 PolarHBondContact O-N 3.4Å; E945-V1000 HydrophobicContact CB-CG1 4.43Å; E945-V1000 HydrophobicContact CB-CG2 4.12Å; E945-V1000 HydrophobicContact CG-CG2 4.29Å; E945-C1040 WeakPolarHBondContact OE1-CA 3.32Å; E945-C1040 WeakPolarHBondContact OE1-CB 3.01Å; E945-S1041 PolarHBondContact OE1-N 3.14Å; E945-S1041 VanDerWaalsContact OE2-CB 3.24Å; E945-S1041 WeakPolarHBondContact OE2-CB 3.45Å; E945-S1041 PolarHBondContact OE2-OG 3.11Å
946W94.4Very high91.8Very high30 Ų3052.7 Ų52.711%0.11428%0.282CS..Hα-helixtrans-59.9-47.3178.2173.9-118.8000112.4F906 E907 F910 R911 L942 E943 Q948 L949 C950F906-W946 AromaticContact CD1-CH2 3.53Å; F906-W946 HydrophobicContact CD1-CH2 3.53Å; F906-W946 AromaticContact CD1-CZ3 3.98Å; F906-W946 HydrophobicContact CD1-CZ3 3.98Å; F906-W946 AromaticContact CE1-CH2 3.34Å; F906-W946 HydrophobicContact CE1-CH2 3.34Å; F906-W946 HydrophobicContact CE1-CZ2 4.25Å; F906-W946 AromaticContact CE1-CZ3 3.51Å; F906-W946 HydrophobicContact CE1-CZ3 3.51Å; F906-W946 HydrophobicContact CE2-CZ3 4.38Å; F906-W946 HydrophobicContact CG-CH2 4.41Å; F906-W946 HydrophobicContact CZ-CH2 4.07Å; F906-W946 AromaticContact CZ-CZ3 3.74Å; F906-W946 HydrophobicContact CZ-CZ3 3.74Å; E907-W946 HydrophobicContact CB-CH2 3.96Å; E907-W946 HydrophobicContact CB-CZ2 4.24Å; E907-W946 HydrophobicContact CG-CH2 4.21Å; E907-W946 HydrophobicContact CG-CZ2 4.13Å; F910-W946 HydrophobicContact CB-CZ3 4.04Å; R911-W946 HydrophobicContact CB-CD2 3.85Å; R911-W946 HydrophobicContact CB-CE3 3.68Å; R911-W946 HydrophobicContact CB-CH2 4.04Å; R911-W946 HydrophobicContact CB-CZ2 4.17Å; R911-W946 HydrophobicContact CB-CZ3 3.79Å; R911-W946 HydrophobicContact CG-CD2 3.76Å; R911-W946 HydrophobicContact CG-CE3 4.11Å; R911-W946 HydrophobicContact CG-CG 4.03Å; R911-W946 HydrophobicContact CG-CZ2 4.41Å; L942-W946 PolarHBondContact O-N 3.3Å; E943-W946 WeakPolarHBondContact O-CB 3.32Å; E943-W946 PolarHBondContact O-N 3.45Å; W946-Q948 VanDerWaalsContact C-N 3.33Å; W946-Q948 PolarHBondContact O-N 3.43Å; W946-L949 PolarHBondContact O-N 3.35Å; W946-L949 VanDerWaalsContact O-N 3.17Å; W946-C950 PolarHBondContact O-N 3.43Å; W946-C950 PolarHBondContact O-SG 3.13Å
947L95.5Very high91.9Very high106 Ų10649.9 Ų49.956%0.55526%0.258SS*.Hα-helixtrans-61-38.6175.8-70.3169.2000112.6E943 C950 S951E943-L947 WeakPolarHBondContact O-CG 3.28Å; E943-L947 PolarHBondContact O-N 3.24Å; L947-C950 PolarHBondContact O-N 3.42Å; L947-S951 PolarHBondContact O-N 3.19Å
948Q93.7Very high91.8Very high80 Ų8047.3 Ų47.337%0.37425%0.253SS..Hα-helixtrans-64-42.2174.1-17665.160.800111.8S944 E945 W946 C950 S951 D952S944-Q948 WeakPolarHBondContact O-CB 3.26Å; S944-Q948 PolarHBondContact O-N 3.03Å; S944-Q948 VanDerWaalsContact O-N 3.11Å; E945-Q948 PolarHBondContact O-N 3.08Å; W946-Q948 VanDerWaalsContact C-N 3.33Å; W946-Q948 PolarHBondContact O-N 3.43Å; Q948-C950 VanDerWaalsContact C-N 3.34Å; Q948-S951 PolarHBondContact O-N 2.94Å; Q948-D952 PolarHBondContact NE2-OD1 3.39Å; Q948-D952 WeakPolarHBondContact O-CB 3.44Å; Q948-D952 PolarHBondContact O-N 3.38Å
949L94.5Very high91.5Very high3 Ų348.9 Ų48.92%0.01626%0.263CS..Hα-helixtrans-66.3-35.5177.3-69173000112.3F906 F910 E945 W946 R953 R1036 C1040F906-L949 HydrophobicContact CZ-CB 4.15Å; F910-L949 HydrophobicContact CB-CD1 4.35Å; F910-L949 HydrophobicContact CD1-CD1 4.48Å; E945-L949 HydrophobicContact CG-CD1 4.31Å; E945-L949 WeakPolarHBondContact O-CG 3.4Å; E945-L949 PolarHBondContact O-N 3.4Å; W946-L949 PolarHBondContact O-N 3.35Å; W946-L949 VanDerWaalsContact O-N 3.17Å; L949-R953 VanDerWaalsContact O-CB 3.25Å; L949-R953 WeakPolarHBondContact O-CB 3.33Å; L949-R953 PolarHBondContact O-N 3.21Å; L949-R1036 HydrophobicContact CD2-CB 3.99Å; L949-C1040 HydrophobicContact CD1-CB 3.96Å
950C94.1Very high91.2Very high44 Ų4447 Ų4730%0.29725%0.254SS..Hα-helixtrans-62.4-49171.2-73.10000111.6W946 L947 Q948 R953 E954W946-C950 PolarHBondContact O-N 3.43Å; W946-C950 PolarHBondContact O-SG 3.13Å; L947-C950 PolarHBondContact O-N 3.42Å; Q948-C950 VanDerWaalsContact C-N 3.34Å; C950-R953 PolarHBondContact O-N 3.12Å; C950-E954 PolarHBondContact O-N 3.39Å
951S93.8Very high90.2Very high54 Ų5447.3 Ų47.338%0.37825%0.246SC..Hα-helixtrans-62.4-45.8177.7-174.10000112L947 Q948 R953 E954 I955L947-S951 PolarHBondContact O-N 3.19Å; Q948-S951 PolarHBondContact O-N 2.94Å; S951-R953 VanDerWaalsContact C-N 3.29Å; S951-R953 PolarHBondContact O-N 3.37Å; S951-E954 PolarHBondContact O-N 2.59Å; S951-I955 WeakPolarHBondContact O-CB 3.46Å; S951-I955 VanDerWaalsContact O-CG1 3.28Å; S951-I955 WeakPolarHBondContact O-CG1 3.47Å; S951-I955 PolarHBondContact O-N 2.77Å
952D93.4Very high89.3Confident4 Ų451.5 Ų51.52%0.02126%0.263CS..Hα-helixtrans-57.1-42.8174.5-73.1-11.8000111.4Q948 L956 R1036Q948-D952 PolarHBondContact NE2-OD1 3.39Å; Q948-D952 WeakPolarHBondContact O-CB 3.44Å; Q948-D952 PolarHBondContact O-N 3.38Å; D952-L956 WeakPolarHBondContact O-CB 3.5Å; D952-L956 WeakPolarHBondContact O-CG 3.38Å; D952-L956 PolarHBondContact O-N 3.39Å; D952-R1036 IonicContact OD1-CZ 3.07Å; D952-R1036 IonicContact OD1-NE 3.39Å; D952-R1036 IonicContact OD1-NH2 2.67Å; D952-R1036 PolarHBondContact OD1-NH2 3.2Å; D952-R1036 IonicContact OD2-CZ 2.6Å; D952-R1036 VanDerWaalsContact OD2-CZ 3.24Å; D952-R1036 IonicContact OD2-NE 3.55Å; D952-R1036 PolarHBondContact OD2-NE 3.1Å; D952-R1036 IonicContact OD2-NH2 3.72Å; D952-R1036 PolarHBondContact OD2-NH2 3.41Å
953R92.3Very high88.4Confident20 Ų2052.4 Ų52.48%0.07527%0.269CS..Hα-helixtrans-67.6-39.7179.4179.5171.4176.6-1113.2112.3T898 P901 N903 F906 L949 C950 S951 R957T898-R953 VanDerWaalsContact O-CD 3.24Å; T898-R953 WeakPolarHBondContact O-CD 3.19Å; T898-R953 WeakPolarHBondContact O-CG 3.38Å; T898-R953 PolarHBondContact O-NE 3.25Å; T898-R953 VanDerWaalsContact O-NE 3.1Å; P901-R953 PolarHBondContact O-NH2 3.28Å; N903-R953 PolarHBondContact OD1-NH1 3.33Å; N903-R953 PolarHBondContact OD1-NH2 3.37Å; F906-R953 HydrophobicContact CZ-CB 4.32Å; L949-R953 VanDerWaalsContact O-CB 3.25Å; L949-R953 WeakPolarHBondContact O-CB 3.33Å; L949-R953 PolarHBondContact O-N 3.21Å; C950-R953 PolarHBondContact O-N 3.12Å; S951-R953 VanDerWaalsContact C-N 3.29Å; S951-R953 PolarHBondContact O-N 3.37Å; R953-R957 WeakPolarHBondContact O-CB 3.39Å; R953-R957 WeakPolarHBondContact O-CD 3.45Å; R953-R957 WeakPolarHBondContact O-CG 3.49Å; R953-R957 PolarHBondContact O-N 3.5Å; R953-R957 VanDerWaalsContact O-N 3.08Å
954E91.2Very high87.8Confident145 Ų14552 Ų5268%0.67827%0.269SS*.Hα-helixtrans-66.4-45.4175.4-175.2173-165.200111.5C950 S951 R957 S958C950-E954 PolarHBondContact O-N 3.39Å; S951-E954 PolarHBondContact O-N 2.59Å; E954-R957 PolarHBondContact O-N 2.93Å; E954-S958 PolarHBondContact O-N 3.27Å
955I91.2Very high87.4Confident59 Ų5950.8 Ų50.830%0.30326%0.26SS..Hα-helixtrans-56.3-57.7172.2-66.9165000109.1S951 R957 S958 V959 L1029S951-I955 WeakPolarHBondContact O-CB 3.46Å; S951-I955 VanDerWaalsContact O-CG1 3.28Å; S951-I955 WeakPolarHBondContact O-CG1 3.47Å; S951-I955 PolarHBondContact O-N 2.77Å; I955-R957 PolarHBondContact O-N 2.81Å; I955-S958 PolarHBondContact O-N 2.99Å; I955-S958 PolarHBondContact O-OG 3.26Å; I955-V959 HydrophobicContact CG2-CG2 4.19Å; I955-V959 WeakPolarHBondContact O-CB 3.34Å; I955-V959 WeakPolarHBondContact O-CG2 3.46Å; I955-V959 PolarHBondContact O-N 3.02Å; I955-V959 VanDerWaalsContact O-N 3.11Å; I955-L1029 HydrophobicContact CG2-CD2 4.32Å
956L89.2Confident87.1Confident5 Ų552 Ų523%0.02627%0.271CS..Hα-helixtrans-55.6-28.7-179-70170.3000113.7L896 F899 D952 I960 L1030L896-L956 HydrophobicContact CD1-CD1 4.37Å; L896-L956 HydrophobicContact CD1-CD2 4.15Å; F899-L956 HydrophobicContact CD2-CB 4.37Å; F899-L956 WeakPolarHBondContact CE2-O 3.39Å; D952-L956 WeakPolarHBondContact O-CB 3.5Å; D952-L956 WeakPolarHBondContact O-CG 3.38Å; D952-L956 PolarHBondContact O-N 3.39Å; L956-I960 PolarHBondContact O-N 3.28Å; L956-L1030 HydrophobicContact CD2-CD1 3.48Å; L956-L1030 VanDerWaalsContact CD2-CD1 3.48Å
957R88.3Confident86.9Confident29 Ų2951.3 Ų51.311%0.10927%0.27CS..Hα-helixtrans-81-30.4176.7-75.2172.6167.6-142.5-10.9114.8F899 P901 R953 E954 I955 I1312 G1316 F1318F899-R957 HydrophobicContact CD2-CG 4.01Å; F899-R957 HydrophobicContact CE2-CG 4.01Å; F899-R957 PolarHBondContact O-NE 2.94Å; F899-R957 VanDerWaalsContact O-NE 3.08Å; F899-R957 PolarHBondContact O-NH2 3.07Å; P901-R957 PolarHBondContact O-NH2 3.1Å; R953-R957 WeakPolarHBondContact O-CB 3.39Å; R953-R957 WeakPolarHBondContact O-CD 3.45Å; R953-R957 WeakPolarHBondContact O-CG 3.49Å; R953-R957 PolarHBondContact O-N 3.5Å; R953-R957 VanDerWaalsContact O-N 3.08Å; E954-R957 PolarHBondContact O-N 2.93Å; I955-R957 PolarHBondContact O-N 2.81Å; R957-I1312 HydrophobicContact CB-CD1 4.28Å; R957-I1312 HydrophobicContact CG-CD1 4.48Å; R957-G1316 VanDerWaalsContact CZ-O 3.29Å; R957-G1316 PolarHBondContact NH1-O 3.09Å; R957-G1316 PolarHBondContact NH2-O 2.74Å; R957-F1318 HydrophobicContact CG-CZ 4.2Å
958S85.9Confident86.7Confident65 Ų6548 Ų4846%0.45525%0.253SS..Hα-helixtrans-69.6-30.7169.771.30000111.5E954 I955 K961E954-S958 PolarHBondContact O-N 3.27Å; I955-S958 PolarHBondContact O-N 2.99Å; I955-S958 PolarHBondContact O-OG 3.26Å; S958-K961 WeakPolarHBondContact O-CE 3.23Å
959V82.2Confident86.7Confident34 Ų3444.7 Ų44.721%0.20624%0.238CC..Hα-helixtrans-77.8-63.4-175.9164.90000113.6I955 K961 P1875I955-V959 HydrophobicContact CG2-CG2 4.19Å; I955-V959 WeakPolarHBondContact O-CB 3.34Å; I955-V959 WeakPolarHBondContact O-CG2 3.46Å; I955-V959 PolarHBondContact O-N 3.02Å; I955-V959 VanDerWaalsContact O-N 3.11Å; V959-K961 PolarHBondContact O-N 2.89Å; V959-P1875 HydrophobicContact CB-CB 4.35Å; V959-P1875 HydrophobicContact CB-CG 3.9Å; V959-P1875 HydrophobicContact CG1-CB 4.37Å; V959-P1875 HydrophobicContact CG1-CG 3.45Å; V959-P1875 VanDerWaalsContact CG1-CG 3.45Å; V959-P1875 HydrophobicContact CG2-CB 3.21Å; V959-P1875 HydrophobicContact CG2-CG 3.27Å
960I80.4Confident86.6Confident32 Ų3244.6 Ų44.616%0.16424%0.238CC..  trans-89.888.6-176.9-47.8-175000106.3L896 F899 L956 K962 V967L896-I960 HydrophobicContact CD1-CD1 3.5Å; L896-I960 VanDerWaalsContact CD1-CD1 3.5Å; F899-I960 HydrophobicContact CE1-CG2 4.29Å; F899-I960 HydrophobicContact CE2-CB 3.71Å; F899-I960 HydrophobicContact CE2-CG1 4.5Å; F899-I960 HydrophobicContact CE2-CG2 4.31Å; F899-I960 HydrophobicContact CZ-CB 3.7Å; F899-I960 HydrophobicContact CZ-CG2 3.79Å; F899-I960 VanDerWaalsContact CZ-O 3.25Å; F899-I960 WeakPolarHBondContact CZ-O 3.48Å; L956-I960 PolarHBondContact O-N 3.28Å; I960-K962 HydrophobicContact CG2-CB 4.32Å; I960-K962 PolarHBondContact O-N 2.66Å; I960-V967 HydrophobicContact CD1-CG1 4.07Å
961K71.1Confident86.3Confident87 Ų8743 Ų4338%0.37823%0.227SC..  trans-77.3-2.8175.4-59.1-174.8-176.8-179.20113.2S958 V959 F1872 H1873S958-K961 WeakPolarHBondContact O-CE 3.23Å; V959-K961 PolarHBondContact O-N 2.89Å; K961-F1872 HydrophobicContact CD-CD1 3.6Å; K961-F1872 HydrophobicContact CD-CE1 3.61Å; K961-H1873 PolarHBondContact NZ-O 2.99Å
962K73.7Confident86.3Confident140 Ų14041.9 Ų41.961%0.60922%0.217SC*.SBendtrans-86.9154.4171.9-66.6-178.5173.8179.70109.8F899 I960 D964F899-K962 WeakPolarHBondContact CZ-O 3.45Å; I960-K962 HydrophobicContact CG2-CB 4.32Å; I960-K962 PolarHBondContact O-N 2.66Å; K962-D964 PolarHBondContact O-N 2.72Å
963T71.5Confident86.3Confident26 Ų2641.7 Ų41.716%0.1622%0.216CC..SBendtrans-74.6-6.3174.7450000114.4K900 V1310 T1320K900-T963 WeakPolarHBondContact CE-O 3.44Å; K900-T963 PolarHBondContact NZ-O 3.45Å; T963-V1310 HydrophobicContact CG2-CB 4.4Å; T963-V1310 HydrophobicContact CG2-CG1 3.75Å; T963-V1310 HydrophobicContact CG2-CG2 3.77Å; T963-T1320 HydrophobicContact CG2-CG2 3.82Å
964D78.8Confident86.3Confident69 Ų6944.5 Ų44.537%0.36923%0.232SC..  trans-77.3132.6-178.2-163.4-1.5000111.4F899 K962 S966 H1836F899-D964 WeakPolarHBondContact CE1-O 3.37Å; K962-D964 PolarHBondContact O-N 2.72Å; D964-S966 WeakPolarHBondContact OD1-CB 3.48Å; D964-S966 PolarHBondContact OD1-N 2.73Å; D964-H1836 IonicContact OD1-CE1 3.11Å
965D84.5Confident86.3Confident14 Ų1438.2 Ų38.28%0.07520%0.203CC..  trans-98.6-4.3175.264.8-38.6000112.8R895 L896 F899 K900 H1836R895-D965 WeakPolarHBondContact CA-O 3.38Å; R895-D965 WeakPolarHBondContact CD-OD2 3.35Å; L896-D965 PolarHBondContact N-O 3.35Å; F899-D965 HydrophobicContact CD1-CB 4.05Å; K900-D965 HydrophobicContact CD-CB 3.81Å; K900-D965 WeakPolarHBondContact CE-OD1 3.36Å; K900-D965 HydrophobicContact CG-CB 4.11Å; K900-D965 IonicContact NZ-OD1 2.98Å; K900-D965 PolarHBondContact NZ-OD1 2.68Å; D965-H1836 IonicContact OD1-CE1 3.48Å
966S88.7Confident86.4Confident46 Ų4635.5 Ų35.532%0.32219%0.189SC..EExtended strand (participates in β ladder)trans-75.8117.7176.8-166.50000111Q894 D964Q894-S966 WeakPolarHBondContact O-CA 3.24Å; D964-S966 WeakPolarHBondContact OD1-CB 3.48Å; D964-S966 PolarHBondContact OD1-N 2.73Å
967V90.1Very high86.7Confident16 Ų1635.4 Ų35.410%0.09719%0.188CC..EExtended strand (participates in β ladder)trans-123.1158.1175.2-650000110.4F893 Q894 L896 I960 L969 L1030F893-V967 CarbonylContact C-O 3.59Å; F893-V967 WeakPolarHBondContact CA-O 3.4Å; Q894-V967 PolarHBondContact N-O 2.91Å; Q894-V967 PolarHBondContact O-N 2.73Å; L896-V967 HydrophobicContact CD1-CG1 3.73Å; L896-V967 HydrophobicContact CD1-CG2 4.49Å; L896-V967 HydrophobicContact CD2-CG2 3.94Å; L896-V967 HydrophobicContact CG-CG1 3.97Å; L896-V967 HydrophobicContact CG-CG2 3.87Å; I960-V967 HydrophobicContact CD1-CG1 4.07Å; V967-L969 HydrophobicContact CG2-CD1 3.78Å; V967-L969 HydrophobicContact CG2-CG 4.14Å; V967-L1030 HydrophobicContact CB-CD2 4.46Å; V967-L1030 HydrophobicContact CG1-CD2 4.47Å
968V92.8Very high86.8Confident35 Ų3535.9 Ų35.921%0.21219%0.192CC..EExtended strand (participates in β ladder)trans-104114178.5170.40000108.9N521 V891 E892 F893N521-V968 WeakPolarHBondContact ND2-CG1 3.48Å; V891-V968 HydrophobicContact CB-CG1 3.7Å; V891-V968 HydrophobicContact CG2-CG1 3.38Å; E892-V968 CarbonylContact O-C 3.54Å; E892-V968 WeakPolarHBondContact O-CA 3.4Å; F893-V968 HydrophobicContact CD1-CG2 3.65Å; F893-V968 HydrophobicContact CE1-CG2 3.53Å; F893-V968 HydrophobicContact CG-CG2 4.28Å; F893-V968 HydrophobicContact CZ-CG2 4.04Å
969L93Very high87.2Confident11 Ų1133.2 Ų33.26%0.05817%0.173CC..EExtended strand (participates in β ladder)trans-146.9150.6-174.4-74.8175.6000111.6E892 Q894 V967 L1030 L1031 L1034E892-L969 PolarHBondContact N-O 3.29Å; E892-L969 PolarHBondContact O-N 3.46Å; E892-L969 VanDerWaalsContact O-O 3.12Å; Q894-L969 PolarHBondContact NE2-O 3.04Å; V967-L969 HydrophobicContact CG2-CD1 3.78Å; V967-L969 HydrophobicContact CG2-CG 4.14Å; L969-L1030 HydrophobicContact CD1-CG 4.19Å; L969-L1030 HydrophobicContact CD2-CD2 4.12Å; L969-L1030 HydrophobicContact CD2-CG 4.22Å; L969-L1030 HydrophobicContact CG-CD2 4.48Å; L969-L1031 HydrophobicContact CD2-CB 4.23Å; L969-L1034 HydrophobicContact CD1-CB 4.07Å; L969-L1034 HydrophobicContact CD1-CD2 3.49Å; L969-L1034 VanDerWaalsContact CD1-CD2 3.49Å; L969-L1034 HydrophobicContact CD1-CG 4.4Å
970P92Very high87.7Confident1 Ų131.6 Ų31.61%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-69.9166.7173.535.7-39000110.8L886 V891 Q894 L1031 F1066 A1069L886-P970 HydrophobicContact CD1-CB 4.5Å; L886-P970 HydrophobicContact CD1-CG 3.65Å; V891-P970 HydrophobicContact CG1-CB 4.38Å; Q894-P970 PolarHBondContact NE2-O 2.84Å; P970-L1031 HydrophobicContact CG-CD1 4.39Å; P970-L1031 HydrophobicContact CG-CD2 4.08Å; P970-F1066 HydrophobicContact CG-CD2 4.14Å; P970-A1069 HydrophobicContact CB-CB 3.7Å
971C89.1Confident88.2Confident10 Ų1032.5 Ų32.57%0.06817%0.167CC..SBendtrans56.891.5173.5-50.50000113.7Q894 I973 L976 R1065 F1066Q894-C971 PolarHBondContact NE2-O 2.92Å; Q894-C971 PolarHBondContact OE1-O 3.44Å; C971-I973 WeakPolarHBondContact O-CG1 3.49Å; C971-I973 PolarHBondContact O-N 3.02Å; C971-L976 HydrophobicContact CB-CD1 4.41Å; C971-R1065 WeakPolarHBondContact SG-CB 3.39Å; C971-F1066 PolarHBondContact SG-N 3.12Å; C971-F1066 VanDerWaalsContact SG-N 3.44Å
972N92.8Very high89.2Confident31 Ų3131.8 Ų31.817%0.16616%0.163CC..  trans-69.595.7177.9-170.6-35000111.6E892 N974 R975 L976E892-N972 WeakPolarHBondContact OE2-CB 3.48Å; E892-N972 PolarHBondContact OE2-ND2 3.27Å; N972-N974 VanDerWaalsContact C-N 3.32Å; N972-N974 PolarHBondContact O-N 3.03Å; N972-N974 PolarHBondContact OD1-N 3.39Å; N972-R975 HydrophobicContact CB-CB 4Å; N972-R975 PolarHBondContact O-N 3.27Å; N972-R975 VanDerWaalsContact O-N 3.1Å; N972-R975 PolarHBondContact OD1-N 3.06Å; N972-L976 WeakPolarHBondContact O-CG 3.4Å; N972-L976 PolarHBondContact O-N 3.49Å
973I92.9Very high90.1Very high1 Ų128 Ų281%0.00515%0.149CC..Hα-helixtrans-63.5-39.1-169.4-48.7-174.3000111.4C971 R975 L976 V977 L1034 I1035 L1039C971-I973 WeakPolarHBondContact O-CG1 3.49Å; C971-I973 PolarHBondContact O-N 3.02Å; I973-R975 VanDerWaalsContact C-N 3.31Å; I973-R975 PolarHBondContact O-N 3.19Å; I973-L976 PolarHBondContact O-N 3.02Å; I973-V977 HydrophobicContact CG2-CG2 4.33Å; I973-V977 WeakPolarHBondContact O-CG2 3.46Å; I973-V977 PolarHBondContact O-N 3.4Å; I973-L1034 HydrophobicContact CD1-CD2 4.26Å; I973-L1034 HydrophobicContact CD1-CG 3.92Å; I973-I1035 HydrophobicContact CD1-CB 4.21Å; I973-I1035 HydrophobicContact CD1-CG1 3.56Å; I973-L1039 HydrophobicContact CG2-CD1 4.35Å; I973-L1039 HydrophobicContact CG2-CD2 4.11Å; I973-L1039 HydrophobicContact CG2-CG 4.11Å
974N92.5Very high91.1Very high78 Ų7830 Ų3042%0.41716%0.156SC..Hα-helixtrans-63.3-37.8177.6-65-67.6000111.9N972 M978N972-N974 VanDerWaalsContact C-N 3.32Å; N972-N974 PolarHBondContact O-N 3.03Å; N972-N974 PolarHBondContact OD1-N 3.39Å; N974-M978 WeakPolarHBondContact O-CB 3.37Å; N974-M978 PolarHBondContact O-N 3.05Å
975R92.9Very high91.6Very high14 Ų1434.3 Ų34.35%0.05317%0.174CC..Hα-helixtrans-69-41.8174.4-179.5162.156.581.1-9.4111.5E649 E892 N972 I973 M978 N979E649-R975 WeakPolarHBondContact OE1-CD 3.44Å; E649-R975 IonicContact OE1-CZ 2.98Å; E649-R975 IonicContact OE1-NE 3.78Å; E649-R975 IonicContact OE1-NH1 3.68Å; E649-R975 PolarHBondContact OE1-NH1 3.08Å; E892-R975 IonicContact OE1-CZ 2.73Å; E892-R975 IonicContact OE1-NE 2.77Å; E892-R975 IonicContact OE1-NH2 2.68Å; E892-R975 PolarHBondContact OE1-NH2 3.2Å; E892-R975 IonicContact OE2-NH2 3.25Å; N972-R975 HydrophobicContact CB-CB 4Å; N972-R975 PolarHBondContact O-N 3.27Å; N972-R975 VanDerWaalsContact O-N 3.1Å; N972-R975 PolarHBondContact OD1-N 3.06Å; I973-R975 VanDerWaalsContact C-N 3.31Å; I973-R975 PolarHBondContact O-N 3.19Å; R975-M978 PolarHBondContact O-N 3.15Å; R975-N979 WeakPolarHBondContact O-CB 3.19Å; R975-N979 PolarHBondContact O-N 3.37Å; R975-N979 PolarHBondContact O-OD1 2.96Å
976L93.2Very high91.9Very high1 Ų134.8 Ų34.81%0.00518%0.176CC..Hα-helixtrans-62.2-42.6175.1-66.5177.6000112.4C971 N972 I973 N979 A980 V1058 E1061 V1062C971-L976 HydrophobicContact CB-CD1 4.41Å; N972-L976 WeakPolarHBondContact O-CG 3.4Å; N972-L976 PolarHBondContact O-N 3.49Å; I973-L976 PolarHBondContact O-N 3.02Å; L976-N979 PolarHBondContact O-N 3.2Å; L976-A980 WeakPolarHBondContact O-CB 3.27Å; L976-A980 PolarHBondContact O-N 2.84Å; L976-V1058 HydrophobicContact CB-CG1 4.47Å; L976-E1061 HydrophobicContact CD1-CB 4.33Å; L976-E1061 HydrophobicContact CD2-CB 4.13Å; L976-V1062 HydrophobicContact CD1-CG2 3.66Å
977V93.5Very high91.7Very high3 Ų336.5 Ų36.52%0.01818%0.182CC..Hα-helixtrans-62.5-44.9175.1169.10000111.3I973 A980 Q981 L1039 Y1048 L1050 V1058I973-V977 HydrophobicContact CG2-CG2 4.33Å; I973-V977 WeakPolarHBondContact O-CG2 3.46Å; I973-V977 PolarHBondContact O-N 3.4Å; V977-A980 PolarHBondContact O-N 3.18Å; V977-Q981 WeakPolarHBondContact O-CG 3.29Å; V977-Q981 PolarHBondContact O-N 2.93Å; V977-L1039 HydrophobicContact CG2-CD2 3.8Å; V977-Y1048 HydrophobicContact CG1-CD1 3.64Å; V977-Y1048 HydrophobicContact CG1-CD2 3.79Å; V977-Y1048 HydrophobicContact CG1-CE1 3.99Å; V977-Y1048 HydrophobicContact CG1-CE2 4.12Å; V977-Y1048 HydrophobicContact CG1-CG 3.54Å; V977-Y1048 HydrophobicContact CG2-CD2 4.38Å; V977-Y1048 HydrophobicContact CG2-CE2 4.3Å; V977-L1050 HydrophobicContact CG1-CD2 4.46Å; V977-V1058 HydrophobicContact CG2-CG1 4.45Å
978M91.9Very high91.3Very high40 Ų4039.6 Ų39.620%0.19720%0.202CC..Hα-helixtrans-61.7-42.9175.6179.1172.353.300111.7N591 I593 N974 R975 A980 Q981 K982N591-M978 HydrophobicContact CB-CE 3.49Å; N591-M978 VanDerWaalsContact CB-CE 3.49Å; N591-M978 HydrophobicContact CB-CG 4.07Å; N591-M978 HydrophobicContact CB-SD 3.91Å; I593-M978 HydrophobicContact CD1-SD 4.24Å; N974-M978 WeakPolarHBondContact O-CB 3.37Å; N974-M978 PolarHBondContact O-N 3.05Å; R975-M978 PolarHBondContact O-N 3.15Å; M978-A980 PolarHBondContact O-N 2.93Å; M978-Q981 PolarHBondContact O-N 3.26Å; M978-K982 WeakPolarHBondContact O-CG 3.42Å; M978-K982 PolarHBondContact O-N 3.41Å
979N92.9Very high90.9Very high9 Ų944.4 Ų44.45%0.04823%0.226CC..Hα-helixtrans-61.9-42.6175-67-2.3000111.2N591 E649 R975 L976 K982 I983 W1057N591-N979 PolarHBondContact ND2-OD1 3Å; E649-N979 PolarHBondContact OE1-ND2 3.48Å; R975-N979 WeakPolarHBondContact O-CB 3.19Å; R975-N979 PolarHBondContact O-N 3.37Å; R975-N979 PolarHBondContact O-OD1 2.96Å; L976-N979 PolarHBondContact O-N 3.2Å; N979-K982 PolarHBondContact O-N 2.89Å; N979-I983 HydrophobicContact CB-CD1 4.39Å; N979-I983 WeakPolarHBondContact O-CB 3.31Å; N979-I983 WeakPolarHBondContact O-CD1 3.29Å; N979-I983 VanDerWaalsContact O-CG1 3.22Å; N979-I983 WeakPolarHBondContact O-CG1 3.48Å; N979-I983 PolarHBondContact O-N 2.94Å; N979-W1057 HydrophobicContact CB-CH2 4.04Å; N979-W1057 HydrophobicContact CB-CZ3 4.26Å
980A92.9Very high90.5Very high0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-62.2-44176.400000112.1L976 V977 M978 K982 I983 F984 A1054 W1057 V1058L976-A980 WeakPolarHBondContact O-CB 3.27Å; L976-A980 PolarHBondContact O-N 2.84Å; V977-A980 PolarHBondContact O-N 3.18Å; M978-A980 PolarHBondContact O-N 2.93Å; A980-K982 PolarHBondContact O-N 3.44Å; A980-I983 PolarHBondContact O-N 3.3Å; A980-F984 HydrophobicContact CB-CD2 4.49Å; A980-F984 WeakPolarHBondContact O-CD2 3.39Å; A980-F984 PolarHBondContact O-N 3.21Å; A980-A1054 HydrophobicContact CB-CB 4.47Å; A980-W1057 HydrophobicContact CB-CE3 3.71Å; A980-W1057 HydrophobicContact CB-CZ3 3.84Å; A980-V1058 HydrophobicContact CB-CG2 3.49Å; A980-V1058 VanDerWaalsContact CB-CG2 3.49Å
981Q92.2Very high90.3Very high51 Ų5151 Ų5124%0.23826%0.26CS..Hα-helixtrans-57.2-34.2175.1-73.1177.3-36.500112.6V977 M978 E985 I986 Y1048 L1050V977-Q981 WeakPolarHBondContact O-CG 3.29Å; V977-Q981 PolarHBondContact O-N 2.93Å; M978-Q981 PolarHBondContact O-N 3.26Å; Q981-E985 PolarHBondContact O-N 3.04Å; Q981-I986 HydrophobicContact CB-CB 4.44Å; Q981-I986 HydrophobicContact CG-CB 4.45Å; Q981-I986 HydrophobicContact CG-CD1 4.36Å; Q981-I986 PolarHBondContact O-N 2.67Å; Q981-Y1048 PolarHBondContact NE2-O 2.93Å; Q981-L1050 HydrophobicContact CG-CD2 4.07Å
982K91.4Very high90.2Very high71 Ų7150.8 Ų50.831%0.30926%0.258SS..Hα-helixtrans-81.7-42.4178.2-61.9-71.4161.3163.70112.9D621 M978 N979 A980 F984 E985D621-K982 VanDerWaalsContact OD1-CD 3.25Å; D621-K982 WeakPolarHBondContact OD1-CD 3.29Å; D621-K982 WeakPolarHBondContact OD1-CE 3.34Å; D621-K982 IonicContact OD1-NZ 3.42Å; D621-K982 PolarHBondContact OD1-NZ 2.94Å; D621-K982 IonicContact OD2-NZ 3.65Å; D621-K982 PolarHBondContact OD2-NZ 3.1Å; M978-K982 WeakPolarHBondContact O-CG 3.42Å; M978-K982 PolarHBondContact O-N 3.41Å; N979-K982 PolarHBondContact O-N 2.89Å; A980-K982 PolarHBondContact O-N 3.44Å; K982-F984 PolarHBondContact O-N 3.24Å; K982-E985 PolarHBondContact O-N 2.81Å
983I91.9Very high89.8Confident60 Ų6054 Ų5431%0.30828%0.276SS..Hα-helixtrans-63.7-41.2179.9-71.3163.8000111.7N979 A980 W1057N979-I983 HydrophobicContact CB-CD1 4.39Å; N979-I983 WeakPolarHBondContact O-CB 3.31Å; N979-I983 WeakPolarHBondContact O-CD1 3.29Å; N979-I983 VanDerWaalsContact O-CG1 3.22Å; N979-I983 WeakPolarHBondContact O-CG1 3.48Å; N979-I983 PolarHBondContact O-N 2.94Å; A980-I983 PolarHBondContact O-N 3.3Å; I983-W1057 HydrophobicContact CD1-CH2 3.46Å; I983-W1057 VanDerWaalsContact CD1-CH2 3.46Å; I983-W1057 HydrophobicContact CD1-CZ2 3.42Å; I983-W1057 VanDerWaalsContact CD1-CZ2 3.42Å; I983-W1057 HydrophobicContact CD1-CZ3 4.13Å
984F92.3Very high89.6Confident68 Ų6854 Ų5430%0.29828%0.276SS..THydrogen-bonded Turntrans-98.212.4-179.6-63.4-83000113.4A980 K982 I986 E1053 A1054 W1057A980-F984 HydrophobicContact CB-CD2 4.49Å; A980-F984 WeakPolarHBondContact O-CD2 3.39Å; A980-F984 PolarHBondContact O-N 3.21Å; K982-F984 PolarHBondContact O-N 3.24Å; F984-I986 VanDerWaalsContact C-N 3.27Å; F984-I986 HydrophobicContact CB-CD1 4.21Å; F984-I986 HydrophobicContact CB-CG1 3.86Å; F984-I986 PolarHBondContact O-N 3.22Å; F984-I986 VanDerWaalsContact O-N 3.16Å; F984-E1053 HydrophobicContact CD1-CB 4.47Å; F984-E1053 HydrophobicContact CE1-CB 3.99Å; F984-A1054 HydrophobicContact CB-CB 4.37Å; F984-A1054 HydrophobicContact CD2-CB 3.68Å; F984-A1054 HydrophobicContact CE2-CB 4.16Å; F984-A1054 HydrophobicContact CG-CB 4.05Å; F984-W1057 HydrophobicContact CE2-CB 3.67Å; F984-W1057 HydrophobicContact CE2-CD2 4.16Å; F984-W1057 HydrophobicContact CE2-CE3 4.49Å; F984-W1057 AromaticContact CE2-CG 3.79Å; F984-W1057 HydrophobicContact CE2-CG 3.79Å; F984-W1057 HydrophobicContact CZ-CB 3.8Å; F984-W1057 HydrophobicContact CZ-CG 4.06Å
985E91.1Very high89.5Confident161 Ų16152 Ų5275%0.75226%0.264SS*.THydrogen-bonded Turntrans4745.2176.9-61-176.2-175.800113.9Q981 K982 D987Q981-E985 PolarHBondContact O-N 3.04Å; K982-E985 PolarHBondContact O-N 2.81Å; E985-D987 PolarHBondContact O-N 2.68Å; E985-D987 VanDerWaalsContact O-N 3.12Å
986I89.1Confident89.3Confident24 Ų2451.4 Ų51.412%0.12326%0.261CS..  trans-72.6107.5-170.6-55.4-173.8000110.4Q981 F984 P988 R1049 L1050 A1054Q981-I986 HydrophobicContact CB-CB 4.44Å; Q981-I986 HydrophobicContact CG-CB 4.45Å; Q981-I986 HydrophobicContact CG-CD1 4.36Å; Q981-I986 PolarHBondContact O-N 2.67Å; F984-I986 VanDerWaalsContact C-N 3.27Å; F984-I986 HydrophobicContact CB-CD1 4.21Å; F984-I986 HydrophobicContact CB-CG1 3.86Å; F984-I986 PolarHBondContact O-N 3.22Å; F984-I986 VanDerWaalsContact O-N 3.16Å; I986-P988 VanDerWaalsContact O-CD 3.31Å; I986-P988 WeakPolarHBondContact O-CD 3.41Å; I986-R1049 HydrophobicContact CG2-CB 3.96Å; I986-R1049 WeakPolarHBondContact CG2-O 3.48Å; I986-L1050 HydrophobicContact CD1-CD2 3.72Å; I986-A1054 HydrophobicContact CD1-CB 3.63Å
987D85.6Confident89.2Confident81 Ų8154.6 Ų54.643%0.43327%0.273SS..  trans-70.1116.8168.91777.8000109.9E985 L989 S990E985-D987 PolarHBondContact O-N 2.68Å; E985-D987 VanDerWaalsContact O-N 3.12Å; D987-L989 PolarHBondContact O-N 2.95Å; D987-L989 VanDerWaalsContact O-N 3.09Å; D987-L989 WeakPolarHBondContact OD1-CB 3.49Å; D987-L989 PolarHBondContact OD1-N 3.34Å; D987-S990 WeakPolarHBondContact O-CB 3.35Å; D987-S990 PolarHBondContact O-N 3.23Å; D987-S990 PolarHBondContact O-OG 3.26Å
988P81.7Confident89.1Confident82 Ų8258 Ų5853%0.53229%0.289SS..THydrogen-bonded Turntrans-66.9-8.8179.429.2-36.8000114.5I986 R1049I986-P988 VanDerWaalsContact O-CD 3.31Å; I986-P988 WeakPolarHBondContact O-CD 3.41Å; P988-R1049 HydrophobicContact CB-CG 4.38Å; P988-R1049 WeakPolarHBondContact O-CD 3.43Å; P988-R1049 PolarHBondContact O-NE 2.79Å; P988-R1049 VanDerWaalsContact O-NE 3.14Å
989L84.1Confident89.2Confident136 Ų13656.1 Ų56.171%0.71228%0.28SS*.THydrogen-bonded Turntrans-88.2-14.1172.3-59.4174.2000113.2D987D987-L989 PolarHBondContact O-N 2.95Å; D987-L989 VanDerWaalsContact O-N 3.09Å; D987-L989 WeakPolarHBondContact OD1-CB 3.49Å; D987-L989 PolarHBondContact OD1-N 3.34Å
990S84.6Confident89.2Confident48 Ų4855.9 Ų55.934%0.33628%0.279SS..SBendtrans-76.1164.5-179.373.90000113D987 R1049D987-S990 WeakPolarHBondContact O-CB 3.35Å; D987-S990 PolarHBondContact O-N 3.23Å; D987-S990 PolarHBondContact O-OG 3.26Å; S990-R1049 WeakPolarHBondContact O-CD 3.34Å
991K87Confident89.3Confident103 Ų10359.7 Ų59.745%0.44830%0.296SS..PPolyproline II helixtrans-88.8137.3176.1-70.8-179.9167.1-145.90110.5R921 C923 M924R921-K991 WeakPolarHBondContact O-CE 3.39Å; R921-K991 PolarHBondContact O-NZ 3.48Å; C923-K991 CarbonylContact O-C 3.44Å; C923-K991 VanDerWaalsContact O-CA 3.31Å; C923-K991 WeakPolarHBondContact O-CA 3.46Å; M924-K991 WeakPolarHBondContact O-CD 3.44Å; M924-K991 WeakPolarHBondContact O-CE 3.32Å; M924-K991 PolarHBondContact O-NZ 2.9Å
992T87.1Confident89.4Confident4 Ų458.3 Ų58.33%0.02529%0.29CS..PPolyproline II helixtrans-78.3140.4177.960.70000111.5C923 P925 R1049C923-T992 PolarHBondContact O-N 3.05Å; C923-T992 PolarHBondContact O-OG1 2.94Å; P925-T992 WeakPolarHBondContact CD-O 3.44Å; T992-R1049 HydrophobicContact CG2-CB 4.28Å
993N85.7Confident89.6Confident100 Ų10055.2 Ų55.254%0.53528%0.277SS..  trans-88.6-2.3176.668.4-19.2000114.4S1051 Y1052N993-S1051 VanDerWaalsContact OD1-CA 3.22Å; N993-S1051 WeakPolarHBondContact OD1-CA 3.17Å; N993-S1051 WeakPolarHBondContact OD1-CB 3.48Å; N993-Y1052 PolarHBondContact OD1-N 2.93Å
994I88.7Confident89.8Confident1 Ų156.1 Ų56.11%0.00528%0.277CS..  trans-89.7138.6-176.2-168.7162000112.8Q998 V999 M1002 I1045 Y1052 L1055I994-Q998 HydrophobicContact CG1-CB 4.24Å; I994-V999 HydrophobicContact CD1-CG2 3.65Å; I994-V999 HydrophobicContact CG1-CG2 3.88Å; I994-V999 HydrophobicContact CG2-CG2 4.27Å; I994-M1002 HydrophobicContact CD1-SD 4.41Å; I994-I1045 HydrophobicContact CG2-CD1 4.46Å; I994-I1045 HydrophobicContact CG2-CG1 4.03Å; I994-Y1052 HydrophobicContact CD1-CD2 4.23Å; I994-Y1052 HydrophobicContact CG1-CD2 4.45Å; I994-L1055 HydrophobicContact CD1-CB 4.3Å; I994-L1055 HydrophobicContact CD1-CD2 3.44Å; I994-L1055 VanDerWaalsContact CD1-CD2 3.44Å; I994-L1055 HydrophobicContact CD1-CG 4.5Å
995H89.4Confident89.9Confident36 Ų3657.4 Ų57.417%0.16728%0.284CS..  trans-84.6135.6174.2-168.2-92.3000110.7S931 T938 R997 Q998 V999S931-H995 PolarHBondContact OG-NE2 3.29Å; T938-H995 PolarHBondContact OG1-CE1 2.91Å; H995-R997 VanDerWaalsContact C-N 3.28Å; H995-R997 WeakPolarHBondContact ND1-CB 3.28Å; H995-R997 PolarHBondContact ND1-N 3.34Å; H995-R997 PolarHBondContact O-N 3.33Å; H995-R997 VanDerWaalsContact O-N 3.14Å; H995-Q998 HydrophobicContact CB-CG 4.13Å; H995-Q998 VanDerWaalsContact N-OE1 3.14Å; H995-Q998 WeakPolarHBondContact O-CB 3.44Å; H995-Q998 PolarHBondContact O-N 3.19Å; H995-V999 PolarHBondContact O-N 2.77Å
996P90.2Very high90Very high0 Ų050.1 Ų50.10%025%0.25CS..Hα-helixtrans-53.2-39.5-176.5-29.334.9000115F912 M924 L932 L942 Q998 V999 V1000 I1045F912-P996 HydrophobicContact CE1-CG 4.45Å; F912-P996 HydrophobicContact CE2-CG 4.39Å; F912-P996 HydrophobicContact CZ-CG 4Å; M924-P996 HydrophobicContact CE-CG 3.49Å; M924-P996 VanDerWaalsContact CE-CG 3.49Å; L932-P996 HydrophobicContact CD1-CG 3.87Å; L932-P996 HydrophobicContact CD2-CB 4.32Å; L932-P996 HydrophobicContact CD2-CG 3.81Å; L932-P996 HydrophobicContact CG-CG 4.45Å; L942-P996 HydrophobicContact CD1-CB 4.08Å; L942-P996 HydrophobicContact CD2-CB 3.79Å; L942-P996 HydrophobicContact CG-CB 4.42Å; P996-Q998 VanDerWaalsContact C-N 3.29Å; P996-Q998 PolarHBondContact O-N 2.67Å; P996-V999 WeakPolarHBondContact O-CB 3.1Å; P996-V999 PolarHBondContact O-N 3.47Å; P996-V999 VanDerWaalsContact O-N 3.14Å; P996-V1000 PolarHBondContact O-N 3.47Å; P996-I1045 HydrophobicContact CB-CD1 4.12Å; P996-I1045 HydrophobicContact CG-CD1 3.7Å
997R90.1Very high90.2Very high68 Ų6849.7 Ų49.726%0.25725%0.249SC..Hα-helixtrans-56.2-40.6174.6-174.7177.1167.1156.64.4112.9T938 H995 V999 V1000 E1001T938-R997 HydrophobicContact CG2-CB 3.99Å; T938-R997 WeakPolarHBondContact OG1-CD 3.28Å; H995-R997 VanDerWaalsContact C-N 3.28Å; H995-R997 WeakPolarHBondContact ND1-CB 3.28Å; H995-R997 PolarHBondContact ND1-N 3.34Å; H995-R997 PolarHBondContact O-N 3.33Å; H995-R997 VanDerWaalsContact O-N 3.14Å; R997-V999 VanDerWaalsContact C-N 3.34Å; R997-V999 PolarHBondContact O-N 2.86Å; R997-V1000 PolarHBondContact O-N 2.88Å; R997-E1001 HydrophobicContact CG-CG 4.4Å; R997-E1001 WeakPolarHBondContact CG-OE1 3.21Å; R997-E1001 IonicContact CZ-OE1 2.71Å; R997-E1001 IonicContact NE-OE1 2.68Å; R997-E1001 PolarHBondContact NE-OE1 2.89Å; R997-E1001 IonicContact NH2-OE1 3.03Å; R997-E1001 PolarHBondContact NH2-OE1 3.24Å; R997-E1001 WeakPolarHBondContact O-CB 3.29Å; R997-E1001 WeakPolarHBondContact O-CG 3.23Å; R997-E1001 PolarHBondContact O-N 2.96Å
998Q91.7Very high90.4Very high75 Ų7553.8 Ų53.835%0.3526%0.263SS..Hα-helixtrans-65.5-38.1178.6-65.8169.8-32.300111.1I994 H995 P996 V1000 E1001 M1002I994-Q998 HydrophobicContact CG1-CB 4.24Å; H995-Q998 HydrophobicContact CB-CG 4.13Å; H995-Q998 VanDerWaalsContact N-OE1 3.14Å; H995-Q998 WeakPolarHBondContact O-CB 3.44Å; H995-Q998 PolarHBondContact O-N 3.19Å; P996-Q998 VanDerWaalsContact C-N 3.29Å; P996-Q998 PolarHBondContact O-N 2.67Å; Q998-V1000 PolarHBondContact O-N 2.67Å; Q998-E1001 PolarHBondContact O-N 3Å; Q998-M1002 VanDerWaalsContact O-CB 3.28Å; Q998-M1002 WeakPolarHBondContact O-CB 3.31Å; Q998-M1002 WeakPolarHBondContact O-CG 3.25Å; Q998-M1002 PolarHBondContact O-N 2.99Å
999V93.8Very high90.9Very high0 Ų056.1 Ų56.10%026%0.261CS..Hα-helixtrans-58.2-49.2174.4-173.10000110.4I994 H995 P996 R997 V1003 V1044 I1045 L1055I994-V999 HydrophobicContact CD1-CG2 3.65Å; I994-V999 HydrophobicContact CG1-CG2 3.88Å; I994-V999 HydrophobicContact CG2-CG2 4.27Å; H995-V999 PolarHBondContact O-N 2.77Å; P996-V999 WeakPolarHBondContact O-CB 3.1Å; P996-V999 PolarHBondContact O-N 3.47Å; P996-V999 VanDerWaalsContact O-N 3.14Å; R997-V999 VanDerWaalsContact C-N 3.34Å; R997-V999 PolarHBondContact O-N 2.86Å; V999-V1003 HydrophobicContact CG1-CG2 4.34Å; V999-V1003 WeakPolarHBondContact O-CB 3.3Å; V999-V1003 VanDerWaalsContact O-CG2 3.25Å; V999-V1003 WeakPolarHBondContact O-CG2 3.47Å; V999-V1003 PolarHBondContact O-N 3.43Å; V999-V1044 HydrophobicContact CG1-CB 4.11Å; V999-V1044 HydrophobicContact CG1-CG1 4.21Å; V999-V1044 HydrophobicContact CG1-CG2 3.88Å; V999-V1044 HydrophobicContact CG2-CG1 4.07Å; V999-I1045 HydrophobicContact CG2-CD1 4.31Å; V999-L1055 HydrophobicContact CB-CD2 4.32Å; V999-L1055 HydrophobicContact CG1-CD2 4.03Å; V999-L1055 HydrophobicContact CG2-CD2 4.17Å
1000V93.8Very high91.4Very high4 Ų449.7 Ų49.72%0.02423%0.228CC..Hα-helixtrans-63-44.9-179.8179.10000111.4L942 E945 P996 R997 Q998 R1004L942-V1000 HydrophobicContact CD2-CG2 4.2Å; E945-V1000 HydrophobicContact CB-CG1 4.43Å; E945-V1000 HydrophobicContact CB-CG2 4.12Å; E945-V1000 HydrophobicContact CG-CG2 4.29Å; P996-V1000 PolarHBondContact O-N 3.47Å; R997-V1000 PolarHBondContact O-N 2.88Å; Q998-V1000 PolarHBondContact O-N 2.67Å; V1000-R1004 WeakPolarHBondContact O-CB 3.35Å; V1000-R1004 VanDerWaalsContact O-CG 3.23Å; V1000-R1004 WeakPolarHBondContact O-CG 3.22Å; V1000-R1004 PolarHBondContact O-N 3.09Å
1001E94Very high91.7Very high80 Ų8051.6 Ų51.637%0.37423%0.233SC..Hα-helixtrans-63.3-49.8178.1-73171.3173.700111.6R997 Q998 V1003 R1004 E1005R997-E1001 HydrophobicContact CG-CG 4.4Å; R997-E1001 WeakPolarHBondContact CG-OE1 3.21Å; R997-E1001 IonicContact CZ-OE1 2.71Å; R997-E1001 IonicContact NE-OE1 2.68Å; R997-E1001 PolarHBondContact NE-OE1 2.89Å; R997-E1001 IonicContact NH2-OE1 3.03Å; R997-E1001 PolarHBondContact NH2-OE1 3.24Å; R997-E1001 WeakPolarHBondContact O-CB 3.29Å; R997-E1001 WeakPolarHBondContact O-CG 3.23Å; R997-E1001 PolarHBondContact O-N 2.96Å; Q998-E1001 PolarHBondContact O-N 3Å; E1001-V1003 PolarHBondContact O-N 3Å; E1001-R1004 PolarHBondContact O-N 2.85Å; E1001-E1005 WeakPolarHBondContact O-CB 3.48Å; E1001-E1005 PolarHBondContact O-N 3.28Å
1002M95.1Very high92Very high22 Ų2247.6 Ų47.611%0.10822%0.217CC..Hα-helixtrans-64.2-40.1-179.9-68.5170.277.900112.8I994 Q998 T1006 Y1052 L1055 D1056 L1059I994-M1002 HydrophobicContact CD1-SD 4.41Å; Q998-M1002 VanDerWaalsContact O-CB 3.28Å; Q998-M1002 WeakPolarHBondContact O-CB 3.31Å; Q998-M1002 WeakPolarHBondContact O-CG 3.25Å; Q998-M1002 PolarHBondContact O-N 2.99Å; M1002-T1006 WeakPolarHBondContact O-CB 2.9Å; M1002-T1006 PolarHBondContact O-N 3.27Å; M1002-T1006 PolarHBondContact O-OG1 3.28Å; M1002-Y1052 HydrophobicContact CE-CE2 3.99Å; M1002-Y1052 HydrophobicContact SD-CD2 4.13Å; M1002-Y1052 HydrophobicContact SD-CE2 3.61Å; M1002-L1055 HydrophobicContact CE-CD2 4.45Å; M1002-L1055 HydrophobicContact SD-CD2 4.17Å; M1002-D1056 HydrophobicContact CE-CB 3.78Å; M1002-L1059 HydrophobicContact CB-CD1 3.7Å; M1002-L1059 HydrophobicContact CE-CD1 4.33Å
1003V95.3Very high92.2Very high6 Ų647.8 Ų47.84%0.03622%0.219CC..Hα-helixtrans-67.8-43.9176.7169.70000110.8V999 E1001 T1006 C1007 I1035 R1036 L1039 L1059V999-V1003 HydrophobicContact CG1-CG2 4.34Å; V999-V1003 WeakPolarHBondContact O-CB 3.3Å; V999-V1003 VanDerWaalsContact O-CG2 3.25Å; V999-V1003 WeakPolarHBondContact O-CG2 3.47Å; V999-V1003 PolarHBondContact O-N 3.43Å; E1001-V1003 PolarHBondContact O-N 3Å; V1003-T1006 PolarHBondContact O-N 3.26Å; V1003-C1007 PolarHBondContact O-N 3.48Å; V1003-C1007 PolarHBondContact O-SG 3.26Å; V1003-I1035 HydrophobicContact CG1-CG2 4.19Å; V1003-R1036 HydrophobicContact CG1-CG 4.17Å; V1003-L1039 HydrophobicContact CG2-CB 4Å; V1003-L1059 HydrophobicContact CG2-CD1 4.47Å; V1003-L1059 HydrophobicContact CG2-CD2 4.36Å
1004R94.7Very high92.4Very high80 Ų8047.8 Ų47.830%0.30222%0.224SC..Hα-helixtrans-64.1-41.6176.3-76175.3177.3171.84.6112.4E941 S944 V1000 E1001 C1007 K1008E941-R1004 IonicContact OE1-NH1 3.98Å; E941-R1004 IonicContact OE2-CZ 3.19Å; E941-R1004 IonicContact OE2-NH1 3.74Å; E941-R1004 PolarHBondContact OE2-NH1 2.75Å; E941-R1004 IonicContact OE2-NH2 2.76Å; S944-R1004 PolarHBondContact OG-NH2 2.78Å; V1000-R1004 WeakPolarHBondContact O-CB 3.35Å; V1000-R1004 VanDerWaalsContact O-CG 3.23Å; V1000-R1004 WeakPolarHBondContact O-CG 3.22Å; V1000-R1004 PolarHBondContact O-N 3.09Å; E1001-R1004 PolarHBondContact O-N 2.85Å; R1004-C1007 PolarHBondContact O-N 3.2Å; R1004-K1008 WeakPolarHBondContact O-CG 3.26Å; R1004-K1008 PolarHBondContact O-N 3.31Å
1005E94.2Very high92.4Very high95 Ų9549.5 Ų49.544%0.44424%0.242SC..Hα-helixtrans-62.3-44.5174179.3169.2-15200111.2E1001 C1007 K1008 R1009E1001-E1005 WeakPolarHBondContact O-CB 3.48Å; E1001-E1005 PolarHBondContact O-N 3.28Å; E1005-C1007 PolarHBondContact O-N 3.22Å; E1005-K1008 WeakPolarHBondContact O-CB 3.04Å; E1005-K1008 PolarHBondContact O-N 3.05Å; E1005-K1008 VanDerWaalsContact O-N 3.14Å; E1005-R1009 HydrophobicContact CG-CG 4.49Å; E1005-R1009 WeakPolarHBondContact O-CG 3.34Å; E1005-R1009 PolarHBondContact O-N 3.21Å; E1005-R1009 IonicContact OE1-CZ 2.64Å; E1005-R1009 VanDerWaalsContact OE1-CZ 3.26Å; E1005-R1009 IonicContact OE1-NE 3.88Å; E1005-R1009 PolarHBondContact OE1-NE 2.84Å; E1005-R1009 IonicContact OE1-NH2 3.76Å; E1005-R1009 PolarHBondContact OE1-NH2 3.42Å
1006T93.3Very high92.5Very high7 Ų754.4 Ų54.44%0.04327%0.269CS..Hα-helixtrans-59-48.6176.8-61.20000111.1M1002 V1003 K1008 R1009 L1010 L1059 R1063M1002-T1006 WeakPolarHBondContact O-CB 2.9Å; M1002-T1006 PolarHBondContact O-N 3.27Å; M1002-T1006 PolarHBondContact O-OG1 3.28Å; V1003-T1006 PolarHBondContact O-N 3.26Å; T1006-K1008 VanDerWaalsContact C-N 3.29Å; T1006-K1008 PolarHBondContact O-N 3.1Å; T1006-R1009 PolarHBondContact O-N 3.27Å; T1006-L1010 WeakPolarHBondContact O-CG 3.3Å; T1006-L1010 PolarHBondContact O-N 3.36Å; T1006-L1059 HydrophobicContact CG2-CB 4.42Å; T1006-L1059 HydrophobicContact CG2-CD2 3.97Å; T1006-R1063 HydrophobicContact CG2-CG 3.99Å
1007C93.1Very high92.6Very high16 Ų1658.2 Ų58.211%0.10829%0.29CS..Hα-helixtrans-58.9-35.7175.5-69.20000113.3V1003 R1004 E1005 R1009 L1010V1003-C1007 PolarHBondContact O-N 3.48Å; V1003-C1007 PolarHBondContact O-SG 3.26Å; R1004-C1007 PolarHBondContact O-N 3.2Å; E1005-C1007 PolarHBondContact O-N 3.22Å; C1007-R1009 VanDerWaalsContact C-N 3.34Å; C1007-L1010 PolarHBondContact O-N 3.08Å
1008K91.2Very high92.8Very high166 Ų16662.7 Ų62.772%0.72231%0.307SS*.Hα-helixtrans-68.1-31.2174.8-73.1172.4-178.81770113R1004 E1005 T1006 L1010R1004-K1008 WeakPolarHBondContact O-CG 3.26Å; R1004-K1008 PolarHBondContact O-N 3.31Å; E1005-K1008 WeakPolarHBondContact O-CB 3.04Å; E1005-K1008 PolarHBondContact O-N 3.05Å; E1005-K1008 VanDerWaalsContact O-N 3.14Å; T1006-K1008 VanDerWaalsContact C-N 3.29Å; T1006-K1008 PolarHBondContact O-N 3.1Å; K1008-L1010 VanDerWaalsContact C-N 3.3Å
1009R92.6Very high92.9Very high131 Ų13162.4 Ų62.449%0.49431%0.308SS..Hα-helixtrans-79.3-7.4178.2-67.7176.3-179.3-154.70.2113.3E1005 T1006 C1007 I1011E1005-R1009 HydrophobicContact CG-CG 4.49Å; E1005-R1009 WeakPolarHBondContact O-CG 3.34Å; E1005-R1009 PolarHBondContact O-N 3.21Å; E1005-R1009 IonicContact OE1-CZ 2.64Å; E1005-R1009 VanDerWaalsContact OE1-CZ 3.26Å; E1005-R1009 IonicContact OE1-NE 3.88Å; E1005-R1009 PolarHBondContact OE1-NE 2.84Å; E1005-R1009 IonicContact OE1-NH2 3.76Å; E1005-R1009 PolarHBondContact OE1-NH2 3.42Å; T1006-R1009 PolarHBondContact O-N 3.27Å; C1007-R1009 VanDerWaalsContact C-N 3.34Å; R1009-I1011 PolarHBondContact O-N 3.14Å
1010L93.2Very high92.8Very high1 Ų163.5 Ų63.51%0.00532%0.315CS..  trans-80.696.3172.9-54.8-177.6000109.7T1006 C1007 K1008 N1024 T1028 L1031 I1035 F1066T1006-L1010 WeakPolarHBondContact O-CG 3.3Å; T1006-L1010 PolarHBondContact O-N 3.36Å; C1007-L1010 PolarHBondContact O-N 3.08Å; K1008-L1010 VanDerWaalsContact C-N 3.3Å; L1010-N1024 PolarHBondContact O-ND2 3.34Å; L1010-T1028 HydrophobicContact CB-CG2 4.3Å; L1010-L1031 HydrophobicContact CD1-CD2 4.18Å; L1010-I1035 HydrophobicContact CD1-CD1 3.57Å; L1010-F1066 HydrophobicContact CB-CD1 4.24Å; L1010-F1066 HydrophobicContact CB-CE1 3.82Å; L1010-F1066 HydrophobicContact CB-CZ 4.22Å; L1010-F1066 HydrophobicContact CD2-CB 4.2Å; L1010-F1066 HydrophobicContact CD2-CD1 3.64Å; L1010-F1066 HydrophobicContact CD2-CE1 4.13Å; L1010-F1066 HydrophobicContact CD2-CG 3.92Å; L1010-F1066 HydrophobicContact CG-CD1 4.45Å; L1010-F1066 HydrophobicContact CG-CE1 4.47Å
1011I92.3Very high92.8Very high88 Ų8868.4 Ų68.445%0.45134%0.336SS..  trans-114.7107-176.6-57.1175000109.9R1009 V1013 N1024 H1070R1009-I1011 PolarHBondContact O-N 3.14Å; I1011-V1013 WeakPolarHBondContact CG2-O 3.26Å; I1011-N1024 WeakPolarHBondContact CA-OD1 3.23Å; I1011-H1070 PolarHBondContact O-CE1 2.83Å
1012V91.7Very high92.8Very high19 Ų1967.7 Ų67.712%0.11533%0.332CS..SBendtrans-90.2-36.6166.7-177.10000110.5D884 P1014 N1024 A1027 T1028 F1066D884-V1012 WeakPolarHBondContact O-CG1 3.29Å; V1012-P1014 WeakPolarHBondContact O-CD 3.22Å; V1012-N1024 PolarHBondContact N-OD1 3.2Å; V1012-A1027 HydrophobicContact CB-CB 4.3Å; V1012-A1027 HydrophobicContact CG1-CB 4.41Å; V1012-A1027 HydrophobicContact CG2-CB 4.49Å; V1012-T1028 HydrophobicContact CG2-CG2 3.86Å; V1012-F1066 HydrophobicContact CG2-CE1 4.24Å; V1012-F1066 HydrophobicContact CG2-CZ 3.61Å
1013V92.2Very high92.6Very high9 Ų968.2 Ų68.26%0.05534%0.34CS..SBendtrans-108.798.6-179.4-175.20000109.3R880 I1011 G1015 A1023 N1024R880-V1013 VanDerWaalsContact NE-CG2 3.35Å; I1011-V1013 WeakPolarHBondContact CG2-O 3.26Å; V1013-G1015 PolarHBondContact O-N 2.9Å; V1013-A1023 HydrophobicContact CG1-CB 4.23Å; V1013-A1023 HydrophobicContact CG2-CB 4.07Å; V1013-N1024 HydrophobicContact CB-CB 4Å; V1013-N1024 HydrophobicContact CG2-CB 4.42Å; V1013-N1024 PolarHBondContact N-OD1 2.82Å
1014P89.9Confident92.6Very high100 Ų10069 Ų6965%0.64934%0.344SS*.  trans-68.9127.5172.528.7-33.4000109.7V1012V1012-P1014 WeakPolarHBondContact O-CD 3.22Å
1015G88.7Confident92.4Very high37 Ų3767.8 Ų67.838%0.38135%0.351SS..  trans157.3134.5175.200000112.7V1013 S1020V1013-G1015 PolarHBondContact O-N 2.9Å; G1015-S1020 WeakPolarHBondContact O-CB 3.16Å
1016D90.6Very high92.4Very high138 Ų13866.2 Ų66.274%0.73835%0.346SS*.SBendtrans-88.6-10.2-178.9-96.9-52.8000114.6K1021D1016-K1021 WeakPolarHBondContact O-CD 3.37Å; D1016-K1021 WeakPolarHBondContact O-CE 3.39Å; D1016-K1021 PolarHBondContact O-NZ 2.85Å; D1016-K1021 WeakPolarHBondContact OD1-CE 3.32Å; D1016-K1021 IonicContact OD1-NZ 3.58Å; D1016-K1021 PolarHBondContact OD1-NZ 2.58Å
1017D93.6Very high92.3Very high81 Ų8166.9 Ų66.943%0.43335%0.353SS..SBendtrans-70160.8177.769.8-81.3000111.8L1019 S1020 K1021D1017-L1019 PolarHBondContact O-N 2.82Å; D1017-L1019 WeakPolarHBondContact OD2-CA 3.37Å; D1017-L1019 WeakPolarHBondContact OD2-CB 3.28Å; D1017-L1019 PolarHBondContact OD2-N 2.96Å; D1017-S1020 PolarHBondContact O-N 2.87Å; D1017-S1020 WeakPolarHBondContact OD1-CB 3.19Å; D1017-S1020 PolarHBondContact OD1-OG 2.9Å; D1017-S1020 PolarHBondContact OD2-N 3.35Å; D1017-S1020 PolarHBondContact OD2-OG 3.37Å; D1017-K1021 PolarHBondContact O-N 3.37Å; D1017-K1021 VanDerWaalsContact O-N 3.08Å
1018R94.6Very high92.3Very high161 Ų16166.6 Ų66.661%0.60835%0.35SS*.Hα-helixtrans-58.6-37.4-175.6-163.5-170.278.1166.58.7112.4E1022R1018-E1022 WeakPolarHBondContact O-CB 3.31Å; R1018-E1022 PolarHBondContact O-N 3.08Å; R1018-E1022 VanDerWaalsContact O-N 3.07Å
1019L93.6Very high92.3Very high70 Ų7060.6 Ų60.637%0.36633%0.326SS..Hα-helixtrans-75.1-41.6-175.7-179.465000111D1017 K1021 E1022 A1023 Y1879D1017-L1019 PolarHBondContact O-N 2.82Å; D1017-L1019 WeakPolarHBondContact OD2-CA 3.37Å; D1017-L1019 WeakPolarHBondContact OD2-CB 3.28Å; D1017-L1019 PolarHBondContact OD2-N 2.96Å; L1019-K1021 VanDerWaalsContact C-N 3.35Å; L1019-K1021 PolarHBondContact O-N 2.93Å; L1019-E1022 PolarHBondContact O-N 2.88Å; L1019-A1023 VanDerWaalsContact O-CB 3.27Å; L1019-A1023 WeakPolarHBondContact O-CB 3.17Å; L1019-A1023 PolarHBondContact O-N 3.33Å; L1019-Y1879 HydrophobicContact CD1-CE1 3.76Å
1020S92Very high92.3Very high22 Ų2257.2 Ų57.215%0.15432%0.318CS..Hα-helixtrans-62-40.8173.8-64.40000112.4G1015 D1017 A1023 N1024G1015-S1020 WeakPolarHBondContact O-CB 3.16Å; D1017-S1020 PolarHBondContact O-N 2.87Å; D1017-S1020 WeakPolarHBondContact OD1-CB 3.19Å; D1017-S1020 PolarHBondContact OD1-OG 2.9Å; D1017-S1020 PolarHBondContact OD2-N 3.35Å; D1017-S1020 PolarHBondContact OD2-OG 3.37Å; S1020-A1023 PolarHBondContact O-N 3.38Å; S1020-N1024 WeakPolarHBondContact O-CB 3.44Å; S1020-N1024 PolarHBondContact O-N 3.02Å
1021K92.5Very high92.3Very high108 Ų10857.5 Ų57.547%0.4732%0.319SS..Hα-helixtrans-64-43175.4-77.6170.6172.8152.10112.7D1016 D1017 L1019 N1024 A1025D1016-K1021 WeakPolarHBondContact O-CD 3.37Å; D1016-K1021 WeakPolarHBondContact O-CE 3.39Å; D1016-K1021 PolarHBondContact O-NZ 2.85Å; D1016-K1021 WeakPolarHBondContact OD1-CE 3.32Å; D1016-K1021 IonicContact OD1-NZ 3.58Å; D1016-K1021 PolarHBondContact OD1-NZ 2.58Å; D1017-K1021 PolarHBondContact O-N 3.37Å; D1017-K1021 VanDerWaalsContact O-N 3.08Å; L1019-K1021 VanDerWaalsContact C-N 3.35Å; L1019-K1021 PolarHBondContact O-N 2.93Å; K1021-N1024 PolarHBondContact O-N 2.72Å; K1021-A1025 WeakPolarHBondContact O-CB 3.44Å; K1021-A1025 PolarHBondContact O-N 3.16Å
1022E93.5Very high92.3Very high64 Ų6453.7 Ų53.730%0.29930%0.3SS..Hα-helixtrans-64.3-43.6174.2-174.4176.7173.700111.8R1018 L1019 A1025 N1026R1018-E1022 WeakPolarHBondContact O-CB 3.31Å; R1018-E1022 PolarHBondContact O-N 3.08Å; R1018-E1022 VanDerWaalsContact O-N 3.07Å; L1019-E1022 PolarHBondContact O-N 2.88Å; E1022-A1025 PolarHBondContact O-N 2.75Å; E1022-N1026 PolarHBondContact O-N 3.49Å; E1022-N1026 PolarHBondContact O-ND2 3.25Å
1023A92.6Very high92.4Very high33 Ų3352.9 Ų52.927%0.27330%0.295SS..Hα-helixtrans-64.7-38.8175.900000112.5V1013 L1019 S1020 A1027V1013-A1023 HydrophobicContact CG1-CB 4.23Å; V1013-A1023 HydrophobicContact CG2-CB 4.07Å; L1019-A1023 VanDerWaalsContact O-CB 3.27Å; L1019-A1023 WeakPolarHBondContact O-CB 3.17Å; L1019-A1023 PolarHBondContact O-N 3.33Å; S1020-A1023 PolarHBondContact O-N 3.38Å; A1023-A1027 WeakPolarHBondContact O-CB 3.17Å; A1023-A1027 PolarHBondContact O-N 3.4Å
1024N93.6Very high92.5Very high22 Ų2252.5 Ų52.512%0.11829%0.293CS..Hα-helixtrans-64.5-48.4174.6-16365.8000111.2L1010 I1011 V1012 V1013 S1020 K1021 N1026 A1027 T1028L1010-N1024 PolarHBondContact O-ND2 3.34Å; I1011-N1024 WeakPolarHBondContact CA-OD1 3.23Å; V1012-N1024 PolarHBondContact N-OD1 3.2Å; V1013-N1024 HydrophobicContact CB-CB 4Å; V1013-N1024 HydrophobicContact CG2-CB 4.42Å; V1013-N1024 PolarHBondContact N-OD1 2.82Å; S1020-N1024 WeakPolarHBondContact O-CB 3.44Å; S1020-N1024 PolarHBondContact O-N 3.02Å; K1021-N1024 PolarHBondContact O-N 2.72Å; N1024-N1026 VanDerWaalsContact C-N 3.27Å; N1024-N1026 PolarHBondContact O-N 3.1Å; N1024-A1027 PolarHBondContact O-N 3.31Å; N1024-T1028 PolarHBondContact O-N 3.43Å; N1024-T1028 PolarHBondContact O-OG1 2.9Å
1025A92.1Very high92.7Very high55 Ų5547.7 Ų47.746%0.45526%0.262SS..Hα-helixtrans-58.6-39.3179.300000112.2K1021 E1022 L1029K1021-A1025 WeakPolarHBondContact O-CB 3.44Å; K1021-A1025 PolarHBondContact O-N 3.16Å; E1022-A1025 PolarHBondContact O-N 2.75Å; A1025-L1029 WeakPolarHBondContact O-CA 3.48Å; A1025-L1029 WeakPolarHBondContact O-CB 3.45Å; A1025-L1029 PolarHBondContact O-N 2.99Å; A1025-L1029 VanDerWaalsContact O-N 3.09Å
1026N92.6Very high93Very high62 Ų6248.2 Ų48.233%0.33225%0.252SS..Hα-helixtrans-67.3-48.7174.2-75.4-45.1000112.2E1022 N1024 T1028 L1029E1022-N1026 PolarHBondContact O-N 3.49Å; E1022-N1026 PolarHBondContact O-ND2 3.25Å; N1024-N1026 VanDerWaalsContact C-N 3.27Å; N1024-N1026 PolarHBondContact O-N 3.1Å; N1026-T1028 VanDerWaalsContact C-N 3.3Å; N1026-T1028 PolarHBondContact O-N 3.18Å; N1026-L1029 WeakPolarHBondContact O-CB 2.89Å; N1026-L1029 PolarHBondContact O-N 2.8Å
1027A91.9Very high93.1Very high22 Ų2241.7 Ų41.718%0.18222%0.217CC..Hα-helixtrans-62-34.8-179.800000112.9V1012 A1023 N1024V1012-A1027 HydrophobicContact CB-CB 4.3Å; V1012-A1027 HydrophobicContact CG1-CB 4.41Å; V1012-A1027 HydrophobicContact CG2-CB 4.49Å; A1023-A1027 WeakPolarHBondContact O-CB 3.17Å; A1023-A1027 PolarHBondContact O-N 3.4Å; N1024-A1027 PolarHBondContact O-N 3.31Å
1028T92.9Very high93.1Very high10 Ų1037.9 Ų37.96%0.06120%0.197CC..THydrogen-bonded Turntrans-95.30.918064.30000114.3L1010 V1012 N1024 N1026 L1030 L1031 S1032 F1066L1010-T1028 HydrophobicContact CB-CG2 4.3Å; V1012-T1028 HydrophobicContact CG2-CG2 3.86Å; N1024-T1028 PolarHBondContact O-N 3.43Å; N1024-T1028 PolarHBondContact O-OG1 2.9Å; N1026-T1028 VanDerWaalsContact C-N 3.3Å; N1026-T1028 PolarHBondContact O-N 3.18Å; T1028-L1030 PolarHBondContact O-N 3.33Å; T1028-L1031 PolarHBondContact O-N 2.79Å; T1028-S1032 WeakPolarHBondContact O-CB 3.44Å; T1028-S1032 PolarHBondContact O-N 2.8Å; T1028-S1032 PolarHBondContact O-OG 2.95Å; T1028-F1066 HydrophobicContact CG2-CZ 4.32Å
1029L92.3Very high93.1Very high40 Ų4030.2 Ų30.221%0.20917%0.168CC..Hα-helixtrans-54.8-56.7-171.7178.659.5000112.2I955 A1025 N1026 L1031 S1032 S1033I955-L1029 HydrophobicContact CG2-CD2 4.32Å; A1025-L1029 WeakPolarHBondContact O-CA 3.48Å; A1025-L1029 WeakPolarHBondContact O-CB 3.45Å; A1025-L1029 PolarHBondContact O-N 2.99Å; A1025-L1029 VanDerWaalsContact O-N 3.09Å; N1026-L1029 WeakPolarHBondContact O-CB 2.89Å; N1026-L1029 PolarHBondContact O-N 2.8Å; L1029-L1031 PolarHBondContact O-N 2.77Å; L1029-S1032 PolarHBondContact O-N 2.77Å; L1029-S1033 PolarHBondContact O-N 2.84Å; L1029-S1033 PolarHBondContact O-OG 2.92Å; L1029-S1033 VanDerWaalsContact O-OG 3.11Å
1030L92.2Very high93.1Very high60 Ų6026.9 Ų26.931%0.31415%0.151SC..Hα-helixtrans-63.7-40.9-174.9-173.262.9000112.3L896 L956 V967 L969 T1028 L1034L896-L1030 HydrophobicContact CD1-CD1 4.21Å; L896-L1030 HydrophobicContact CD2-CD1 4.29Å; L956-L1030 HydrophobicContact CD2-CD1 3.48Å; L956-L1030 VanDerWaalsContact CD2-CD1 3.48Å; V967-L1030 HydrophobicContact CB-CD2 4.46Å; V967-L1030 HydrophobicContact CG1-CD2 4.47Å; L969-L1030 HydrophobicContact CD1-CG 4.19Å; L969-L1030 HydrophobicContact CD2-CD2 4.12Å; L969-L1030 HydrophobicContact CD2-CG 4.22Å; L969-L1030 HydrophobicContact CG-CD2 4.48Å; T1028-L1030 PolarHBondContact O-N 3.33Å; L1030-L1034 PolarHBondContact O-N 2.84Å; L1030-L1034 VanDerWaalsContact O-N 3.11Å
1031L92.8Very high93.2Very high7 Ų725.9 Ų25.94%0.03714%0.144CC..Hα-helixtrans-68.3-43.2176.4179.761.6000111.5L969 P970 L1010 T1028 L1029 S1033 L1034 I1035 F1066L969-L1031 HydrophobicContact CD2-CB 4.23Å; P970-L1031 HydrophobicContact CG-CD1 4.39Å; P970-L1031 HydrophobicContact CG-CD2 4.08Å; L1010-L1031 HydrophobicContact CD1-CD2 4.18Å; T1028-L1031 PolarHBondContact O-N 2.79Å; L1029-L1031 PolarHBondContact O-N 2.77Å; L1031-S1033 PolarHBondContact O-N 3.03Å; L1031-L1034 WeakPolarHBondContact O-CB 3.42Å; L1031-L1034 PolarHBondContact O-N 2.9Å; L1031-L1034 VanDerWaalsContact O-N 3.16Å; L1031-I1035 HydrophobicContact CD1-CD1 4.2Å; L1031-I1035 HydrophobicContact CD1-CG1 4.36Å; L1031-I1035 HydrophobicContact CD2-CD1 4.48Å; L1031-I1035 HydrophobicContact CG-CD1 3.89Å; L1031-I1035 HydrophobicContact CG-CG1 4.46Å; L1031-I1035 WeakPolarHBondContact O-CG1 3.49Å; L1031-I1035 PolarHBondContact O-N 3.18Å; L1031-F1066 HydrophobicContact CD2-CD2 3.37Å; L1031-F1066 HydrophobicContact CD2-CE2 3.28Å; L1031-F1066 HydrophobicContact CD2-CG 4.45Å; L1031-F1066 HydrophobicContact CD2-CZ 4.29Å
1032S93.7Very high93.2Very high7 Ų722.1 Ų22.15%0.04913%0.128CC..Hα-helixtrans-66.9-38.3-178.6-59.70000111.5T1028 L1029 I1035 R1036T1028-S1032 WeakPolarHBondContact O-CB 3.44Å; T1028-S1032 PolarHBondContact O-N 2.8Å; T1028-S1032 PolarHBondContact O-OG 2.95Å; L1029-S1032 PolarHBondContact O-N 2.77Å; S1032-I1035 PolarHBondContact O-N 2.74Å; S1032-R1036 WeakPolarHBondContact O-CG 3.04Å; S1032-R1036 PolarHBondContact O-N 2.72Å
1033S92.7Very high93.1Very high3 Ų320 Ų202%0.02112%0.117CC..Hα-helixtrans-64.4-38.5171-59.80000112L1029 L1031 R1036 A1037L1029-S1033 PolarHBondContact O-N 2.84Å; L1029-S1033 PolarHBondContact O-OG 2.92Å; L1029-S1033 VanDerWaalsContact O-OG 3.11Å; L1031-S1033 PolarHBondContact O-N 3.03Å; S1033-R1036 PolarHBondContact OG-NH2 2.91Å; S1033-A1037 WeakPolarHBondContact O-CB 3.39Å; S1033-A1037 PolarHBondContact O-N 3Å
1034L93.8Very high93.2Very high0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-65.2-42173.217763.2000112.1Q894 L896 L969 I973 L1030 L1031 A1037 S1038Q894-L1034 HydrophobicContact CB-CD2 4.15Å; L896-L1034 HydrophobicContact CD2-CB 4.27Å; L896-L1034 HydrophobicContact CD2-CD1 4.33Å; L969-L1034 HydrophobicContact CD1-CB 4.07Å; L969-L1034 HydrophobicContact CD1-CD2 3.49Å; L969-L1034 VanDerWaalsContact CD1-CD2 3.49Å; L969-L1034 HydrophobicContact CD1-CG 4.4Å; I973-L1034 HydrophobicContact CD1-CD2 4.26Å; I973-L1034 HydrophobicContact CD1-CG 3.92Å; L1030-L1034 PolarHBondContact O-N 2.84Å; L1030-L1034 VanDerWaalsContact O-N 3.11Å; L1031-L1034 WeakPolarHBondContact O-CB 3.42Å; L1031-L1034 PolarHBondContact O-N 2.9Å; L1031-L1034 VanDerWaalsContact O-N 3.16Å; L1034-A1037 PolarHBondContact O-N 3.16Å; L1034-S1038 VanDerWaalsContact O-CB 3.27Å; L1034-S1038 WeakPolarHBondContact O-CB 3.43Å; L1034-S1038 PolarHBondContact O-N 2.69Å; L1034-S1038 PolarHBondContact O-OG 3.21Å
1035I94.7Very high93.1Very high0 Ų017.4 Ų17.40%010%0.099CC..Hα-helixtrans-62.2-52.7177.4-69.1166.1000110.3I973 V1003 L1010 L1031 S1032 A1037 S1038 L1039 V1062I973-I1035 HydrophobicContact CD1-CB 4.21Å; I973-I1035 HydrophobicContact CD1-CG1 3.56Å; V1003-I1035 HydrophobicContact CG1-CG2 4.19Å; L1010-I1035 HydrophobicContact CD1-CD1 3.57Å; L1031-I1035 HydrophobicContact CD1-CD1 4.2Å; L1031-I1035 HydrophobicContact CD1-CG1 4.36Å; L1031-I1035 HydrophobicContact CD2-CD1 4.48Å; L1031-I1035 HydrophobicContact CG-CD1 3.89Å; L1031-I1035 HydrophobicContact CG-CG1 4.46Å; L1031-I1035 WeakPolarHBondContact O-CG1 3.49Å; L1031-I1035 PolarHBondContact O-N 3.18Å; S1032-I1035 PolarHBondContact O-N 2.74Å; I1035-A1037 VanDerWaalsContact C-N 3.31Å; I1035-A1037 PolarHBondContact O-N 3.1Å; I1035-S1038 PolarHBondContact O-N 3.1Å; I1035-S1038 VanDerWaalsContact O-N 3.16Å; I1035-L1039 HydrophobicContact CG2-CD1 4.37Å; I1035-L1039 PolarHBondContact O-N 2.99Å; I1035-V1062 HydrophobicContact CD1-CG1 3.95Å
1036R94.9Very high93Very high47 Ų4716.7 Ų16.718%0.1779%0.087CC..Hα-helixtrans-58.3-41.8176.7-70.7-173.5-65.4-997.3112.3L949 D952 V1003 S1032 S1033 S1038 C1040L949-R1036 HydrophobicContact CD2-CB 3.99Å; D952-R1036 IonicContact OD1-CZ 3.07Å; D952-R1036 IonicContact OD1-NE 3.39Å; D952-R1036 IonicContact OD1-NH2 2.67Å; D952-R1036 PolarHBondContact OD1-NH2 3.2Å; D952-R1036 IonicContact OD2-CZ 2.6Å; D952-R1036 VanDerWaalsContact OD2-CZ 3.24Å; D952-R1036 IonicContact OD2-NE 3.55Å; D952-R1036 PolarHBondContact OD2-NE 3.1Å; D952-R1036 IonicContact OD2-NH2 3.72Å; D952-R1036 PolarHBondContact OD2-NH2 3.41Å; V1003-R1036 HydrophobicContact CG1-CG 4.17Å; S1032-R1036 WeakPolarHBondContact O-CG 3.04Å; S1032-R1036 PolarHBondContact O-N 2.72Å; S1033-R1036 PolarHBondContact OG-NH2 2.91Å; R1036-S1038 PolarHBondContact O-N 3.34Å; R1036-C1040 WeakPolarHBondContact O-CB 3.48Å; R1036-C1040 PolarHBondContact O-N 2.96Å; R1036-C1040 VanDerWaalsContact O-N 3.17Å
1037A93.2Very high92.8Very high1 Ų118.1 Ų18.11%0.00810%0.095CC..Hα-helixtrans-69.3-28.9177.800000114.4P897 T898 F910 S1033 L1034 I1035 K1043P897-A1037 HydrophobicContact CG-CB 3.92Å; T898-A1037 HydrophobicContact CG2-CB 3.6Å; F910-A1037 HydrophobicContact CE1-CB 4.42Å; F910-A1037 VanDerWaalsContact CE1-O 3.24Å; F910-A1037 WeakPolarHBondContact CE1-O 3.24Å; S1033-A1037 WeakPolarHBondContact O-CB 3.39Å; S1033-A1037 PolarHBondContact O-N 3Å; L1034-A1037 PolarHBondContact O-N 3.16Å; I1035-A1037 VanDerWaalsContact C-N 3.31Å; I1035-A1037 PolarHBondContact O-N 3.1Å; A1037-K1043 PolarHBondContact O-NZ 3.07Å
1038S92.7Very high92.8Very high2 Ų218.9 Ų18.91%0.0149%0.093CC..Hα-helixtrans-86.9-43.8-179.6-550000110.8L1034 I1035 R1036 K1043 Y1048L1034-S1038 VanDerWaalsContact O-CB 3.27Å; L1034-S1038 WeakPolarHBondContact O-CB 3.43Å; L1034-S1038 PolarHBondContact O-N 2.69Å; L1034-S1038 PolarHBondContact O-OG 3.21Å; I1035-S1038 PolarHBondContact O-N 3.1Å; I1035-S1038 VanDerWaalsContact O-N 3.16Å; R1036-S1038 PolarHBondContact O-N 3.34Å; S1038-K1043 WeakPolarHBondContact O-CD 3.39Å; S1038-Y1048 WeakPolarHBondContact O-CE2 3.45Å
1039L94.6Very high92.7Very high0 Ų019.6 Ų19.60%010%0.095CC..SBendtrans-105.231.2-173.7-56.6179.2000113.2I973 V977 V1003 I1035 V1044 V1058 L1059I973-L1039 HydrophobicContact CG2-CD1 4.35Å; I973-L1039 HydrophobicContact CG2-CD2 4.11Å; I973-L1039 HydrophobicContact CG2-CG 4.11Å; V977-L1039 HydrophobicContact CG2-CD2 3.8Å; V1003-L1039 HydrophobicContact CG2-CB 4Å; I1035-L1039 HydrophobicContact CG2-CD1 4.37Å; I1035-L1039 PolarHBondContact O-N 2.99Å; L1039-V1044 HydrophobicContact CB-CG2 4.16Å; L1039-V1044 HydrophobicContact CD2-CG2 4.39Å; L1039-V1044 WeakPolarHBondContact O-CG2 3.38Å; L1039-V1058 HydrophobicContact CD1-CG1 4.02Å; L1039-V1058 HydrophobicContact CD2-CG1 4.34Å; L1039-L1059 HydrophobicContact CD1-CD2 3.61Å
1040C94Very high92.6Very high0 Ų017.7 Ų17.70%09%0.085CC..  trans-64.6151.9173.266.20000111.5E945 L949 R1036 K1042 K1043 V1044E945-C1040 WeakPolarHBondContact OE1-CA 3.32Å; E945-C1040 WeakPolarHBondContact OE1-CB 3.01Å; L949-C1040 HydrophobicContact CD1-CB 3.96Å; R1036-C1040 WeakPolarHBondContact O-CB 3.48Å; R1036-C1040 PolarHBondContact O-N 2.96Å; R1036-C1040 VanDerWaalsContact O-N 3.17Å; C1040-K1042 PolarHBondContact O-N 3.26Å; C1040-K1043 PolarHBondContact O-N 2.97Å; C1040-V1044 WeakPolarHBondContact O-CG2 3.17Å; C1040-V1044 PolarHBondContact O-N 3.09Å
1041S93.1Very high92.6Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-45.8-43.4-178.562.50000112.9L942 E945 I1045L942-S1041 WeakPolarHBondContact CD2-OG 3.43Å; E945-S1041 PolarHBondContact OE1-N 3.14Å; E945-S1041 VanDerWaalsContact OE2-CB 3.24Å; E945-S1041 WeakPolarHBondContact OE2-CB 3.45Å; E945-S1041 PolarHBondContact OE2-OG 3.11Å; S1041-I1045 WeakPolarHBondContact O-CB 3.49Å; S1041-I1045 WeakPolarHBondContact O-CD1 3.47Å; S1041-I1045 VanDerWaalsContact O-CG1 3.27Å; S1041-I1045 WeakPolarHBondContact O-CG1 3.47Å; S1041-I1045 PolarHBondContact O-N 3.2Å
1042K92.8Very high92.6Very high30 Ų3020.6 Ų20.613%0.1310%0.096CC..Hα-helixtrans-62.4-49.8179.1-165.8176.3-163.8164.20113H908 R911 F912 C1040 I1046H908-K1042 WeakPolarHBondContact O-CE 3.47Å; H908-K1042 PolarHBondContact O-NZ 3.08Å; R911-K1042 VanDerWaalsContact O-CD 3.31Å; R911-K1042 WeakPolarHBondContact O-CD 3.13Å; R911-K1042 WeakPolarHBondContact O-CE 3.28Å; R911-K1042 PolarHBondContact O-NZ 2.87Å; F912-K1042 HydrophobicContact CD2-CB 4.09Å; C1040-K1042 PolarHBondContact O-N 3.26Å; K1042-I1046 HydrophobicContact CG-CD1 3.79Å; K1042-I1046 HydrophobicContact CG-CG1 4.36Å; K1042-I1046 VanDerWaalsContact O-CB 3.26Å; K1042-I1046 WeakPolarHBondContact O-CB 3.41Å; K1042-I1046 WeakPolarHBondContact O-CG1 3.46Å; K1042-I1046 PolarHBondContact O-N 3.2Å
1043K92.4Very high92.6Very high19 Ų1926.2 Ų26.28%0.08312%0.121CC..Iπ-helixtrans-68.8-45.3-177.6-78.5-177175.4177.70112.4A1037 S1038 C1040 I1045 D1047 Y1048A1037-K1043 PolarHBondContact O-NZ 3.07Å; S1038-K1043 WeakPolarHBondContact O-CD 3.39Å; C1040-K1043 PolarHBondContact O-N 2.97Å; K1043-I1045 PolarHBondContact O-N 2.79Å; K1043-D1047 WeakPolarHBondContact O-CB 3.38Å; K1043-D1047 PolarHBondContact O-N 2.95Å; K1043-D1047 VanDerWaalsContact O-N 3.08Å; K1043-Y1048 HydrophobicContact CB-CD2 4.17Å; K1043-Y1048 HydrophobicContact CB-CE2 3.96Å; K1043-Y1048 HydrophobicContact CD-CE2 4.47Å; K1043-Y1048 PolarHBondContact O-N 2.83Å
1044V93.4Very high92.7Very high0 Ų026.1 Ų26.10%012%0.12CC..Iπ-helixtrans-54.7-41.3178.9172.30000110.7V999 L1039 C1040 R1049 L1050 L1055V999-V1044 HydrophobicContact CG1-CB 4.11Å; V999-V1044 HydrophobicContact CG1-CG1 4.21Å; V999-V1044 HydrophobicContact CG1-CG2 3.88Å; V999-V1044 HydrophobicContact CG2-CG1 4.07Å; L1039-V1044 HydrophobicContact CB-CG2 4.16Å; L1039-V1044 HydrophobicContact CD2-CG2 4.39Å; L1039-V1044 WeakPolarHBondContact O-CG2 3.38Å; C1040-V1044 WeakPolarHBondContact O-CG2 3.17Å; C1040-V1044 PolarHBondContact O-N 3.09Å; V1044-R1049 PolarHBondContact O-N 3.39Å; V1044-L1050 HydrophobicContact CG1-CB 4.07Å; V1044-L1050 HydrophobicContact CG1-CD1 4.41Å; V1044-L1050 HydrophobicContact CG1-CG 4.5Å; V1044-L1050 PolarHBondContact O-N 2.81Å; V1044-L1055 HydrophobicContact CG1-CD1 4.29Å; V1044-L1055 HydrophobicContact CG1-CD2 4.3Å; V1044-L1055 HydrophobicContact CG2-CD1 4.22Å
1045I91.7Very high92.7Very high0 Ų026.1 Ų26.10%012%0.12CC..Iπ-helixtrans-91.3-44.5-172.4-64.8172.7000113.2F912 C923 M924 I994 P996 V999 S1041 K1043 R1049F912-I1045 HydrophobicContact CE2-CD1 4.33Å; C923-I1045 HydrophobicContact CB-CG2 4.13Å; M924-I1045 HydrophobicContact CE-CD1 3.8Å; M924-I1045 HydrophobicContact CE-CG2 3.69Å; M924-I1045 HydrophobicContact CG-CG2 4.34Å; I994-I1045 HydrophobicContact CG2-CD1 4.46Å; I994-I1045 HydrophobicContact CG2-CG1 4.03Å; P996-I1045 HydrophobicContact CB-CD1 4.12Å; P996-I1045 HydrophobicContact CG-CD1 3.7Å; V999-I1045 HydrophobicContact CG2-CD1 4.31Å; S1041-I1045 WeakPolarHBondContact O-CB 3.49Å; S1041-I1045 WeakPolarHBondContact O-CD1 3.47Å; S1041-I1045 VanDerWaalsContact O-CG1 3.27Å; S1041-I1045 WeakPolarHBondContact O-CG1 3.47Å; S1041-I1045 PolarHBondContact O-N 3.2Å; K1043-I1045 PolarHBondContact O-N 2.79Å; I1045-R1049 PolarHBondContact O-NH1 3.49Å
1046I90Very high92.7Very high40 Ų4029.6 Ų29.621%0.20514%0.139CC..Iπ-helixtrans-90.3-43.4-172.1-55-173.3000112.1V919 K1042 R1049V919-I1046 HydrophobicContact CG1-CD1 4.04Å; K1042-I1046 HydrophobicContact CG-CD1 3.79Å; K1042-I1046 HydrophobicContact CG-CG1 4.36Å; K1042-I1046 VanDerWaalsContact O-CB 3.26Å; K1042-I1046 WeakPolarHBondContact O-CB 3.41Å; K1042-I1046 WeakPolarHBondContact O-CG1 3.46Å; K1042-I1046 PolarHBondContact O-N 3.2Å; I1046-R1049 VanDerWaalsContact O-CZ 3.23Å; I1046-R1049 PolarHBondContact O-NE 3.23Å; I1046-R1049 PolarHBondContact O-NH2 2.85Å
1047D88.6Confident92.8Very high93 Ų9330.7 Ų30.750%0.49714%0.143SC..Iπ-helixtrans-93-50.6-172.4-64.7-10.2000111.7K1043K1043-D1047 WeakPolarHBondContact O-CB 3.38Å; K1043-D1047 PolarHBondContact O-N 2.95Å; K1043-D1047 VanDerWaalsContact O-N 3.08Å
1048Y91.6Very high92.9Very high37 Ų3730.6 Ų30.615%0.14514%0.143CC..SBendtrans-91.7-21.6-173.5-57.7-37.6000114.4V977 Q981 S1038 K1043 L1050V977-Y1048 HydrophobicContact CG1-CD1 3.64Å; V977-Y1048 HydrophobicContact CG1-CD2 3.79Å; V977-Y1048 HydrophobicContact CG1-CE1 3.99Å; V977-Y1048 HydrophobicContact CG1-CE2 4.12Å; V977-Y1048 HydrophobicContact CG1-CG 3.54Å; V977-Y1048 HydrophobicContact CG2-CD2 4.38Å; V977-Y1048 HydrophobicContact CG2-CE2 4.3Å; Q981-Y1048 PolarHBondContact NE2-O 2.93Å; S1038-Y1048 WeakPolarHBondContact O-CE2 3.45Å; K1043-Y1048 HydrophobicContact CB-CD2 4.17Å; K1043-Y1048 HydrophobicContact CB-CE2 3.96Å; K1043-Y1048 HydrophobicContact CD-CE2 4.47Å; K1043-Y1048 PolarHBondContact O-N 2.83Å; Y1048-L1050 PolarHBondContact O-N 2.79Å
1049R90.5Very high93Very high25 Ų2530.6 Ų30.69%0.09414%0.142CC..  trans60.329.9175.8-60.6-92173.6-129.1-9.9113.9C923 I986 P988 S990 T992 V1044 I1045 I1046C923-R1049 PolarHBondContact SG-NH1 3.32Å; C923-R1049 PolarHBondContact SG-NH2 3.19Å; I986-R1049 HydrophobicContact CG2-CB 3.96Å; I986-R1049 WeakPolarHBondContact CG2-O 3.48Å; P988-R1049 HydrophobicContact CB-CG 4.38Å; P988-R1049 WeakPolarHBondContact O-CD 3.43Å; P988-R1049 PolarHBondContact O-NE 2.79Å; P988-R1049 VanDerWaalsContact O-NE 3.14Å; S990-R1049 WeakPolarHBondContact O-CD 3.34Å; T992-R1049 HydrophobicContact CG2-CB 4.28Å; V1044-R1049 PolarHBondContact O-N 3.39Å; I1045-R1049 PolarHBondContact O-NH1 3.49Å; I1046-R1049 VanDerWaalsContact O-CZ 3.23Å; I1046-R1049 PolarHBondContact O-NE 3.23Å; I1046-R1049 PolarHBondContact O-NH2 2.85Å
1050L91.9Very high93.1Very high0 Ų031.7 Ų31.70%015%0.154CC..  trans-65.7138.7-173.9-56.6-176.2000111.6V977 Q981 I986 V1044 Y1048 A1054 L1055V977-L1050 HydrophobicContact CG1-CD2 4.46Å; Q981-L1050 HydrophobicContact CG-CD2 4.07Å; I986-L1050 HydrophobicContact CD1-CD2 3.72Å; V1044-L1050 HydrophobicContact CG1-CB 4.07Å; V1044-L1050 HydrophobicContact CG1-CD1 4.41Å; V1044-L1050 HydrophobicContact CG1-CG 4.5Å; V1044-L1050 PolarHBondContact O-N 2.81Å; Y1048-L1050 PolarHBondContact O-N 2.79Å; L1050-A1054 HydrophobicContact CB-CB 4.28Å; L1050-A1054 HydrophobicContact CD2-CB 4.32Å; L1050-L1055 HydrophobicContact CD1-CD1 4.23Å
1051S92.3Very high93.1Very high27 Ų2733.9 Ų33.919%0.18916%0.164CC..  trans-75.2167.5164.567.90000110.8N993 E1053 A1054 L1055N993-S1051 VanDerWaalsContact OD1-CA 3.22Å; N993-S1051 WeakPolarHBondContact OD1-CA 3.17Å; N993-S1051 WeakPolarHBondContact OD1-CB 3.48Å; S1051-E1053 VanDerWaalsContact C-N 3.33Å; S1051-E1053 PolarHBondContact O-N 3.09Å; S1051-A1054 PolarHBondContact O-N 3.33Å; S1051-A1054 WeakPolarHBondContact OG-CB 3.18Å; S1051-A1054 PolarHBondContact OG-N 3.31Å; S1051-A1054 VanDerWaalsContact OG-N 3.13Å; S1051-L1055 PolarHBondContact O-N 2.92Å
1052Y92.4Very high93.2Very high101 Ų10134 Ų3440%0.39616%0.164SC..Hα-helixtrans-54.2-48.1172.2-179.4-90.3000112.4N993 I994 M1002 A1054 L1055 D1056N993-Y1052 PolarHBondContact OD1-N 2.93Å; I994-Y1052 HydrophobicContact CD1-CD2 4.23Å; I994-Y1052 HydrophobicContact CG1-CD2 4.45Å; M1002-Y1052 HydrophobicContact CE-CE2 3.99Å; M1002-Y1052 HydrophobicContact SD-CD2 4.13Å; M1002-Y1052 HydrophobicContact SD-CE2 3.61Å; Y1052-A1054 PolarHBondContact O-N 3.05Å; Y1052-L1055 PolarHBondContact O-N 3.26Å; Y1052-D1056 PolarHBondContact O-N 3.1Å
1053E93.7Very high93.2Very high126 Ų12635.7 Ų35.759%0.58917%0.17SC*.Hα-helixtrans-62.9-40.6178.7-63.4175.4-175.900112.1F984 S1051 D1056 W1057F984-E1053 HydrophobicContact CD1-CB 4.47Å; F984-E1053 HydrophobicContact CE1-CB 3.99Å; S1051-E1053 VanDerWaalsContact C-N 3.33Å; S1051-E1053 PolarHBondContact O-N 3.09Å; E1053-D1056 PolarHBondContact O-N 3.33Å; E1053-W1057 WeakPolarHBondContact O-CB 3.3Å; E1053-W1057 PolarHBondContact O-N 3.24Å
1054A94.2Very high93.3Very high0 Ų036.6 Ų36.60%018%0.181CC..Hα-helixtrans-67.7-37.9177.600000112.4A980 F984 I986 L1050 S1051 Y1052 V1058A980-A1054 HydrophobicContact CB-CB 4.47Å; F984-A1054 HydrophobicContact CB-CB 4.37Å; F984-A1054 HydrophobicContact CD2-CB 3.68Å; F984-A1054 HydrophobicContact CE2-CB 4.16Å; F984-A1054 HydrophobicContact CG-CB 4.05Å; I986-A1054 HydrophobicContact CD1-CB 3.63Å; L1050-A1054 HydrophobicContact CB-CB 4.28Å; L1050-A1054 HydrophobicContact CD2-CB 4.32Å; S1051-A1054 PolarHBondContact O-N 3.33Å; S1051-A1054 WeakPolarHBondContact OG-CB 3.18Å; S1051-A1054 PolarHBondContact OG-N 3.31Å; S1051-A1054 VanDerWaalsContact OG-N 3.13Å; Y1052-A1054 PolarHBondContact O-N 3.05Å; A1054-V1058 WeakPolarHBondContact O-CG2 3.47Å; A1054-V1058 PolarHBondContact O-N 2.81Å
1055L94.5Very high93.3Very high0 Ų038.4 Ų38.40%019%0.188CC..Hα-helixtrans-69-44.5174.9-176.967.3000111.6I994 V999 M1002 V1044 L1050 S1051 Y1052 W1057 V1058 L1059I994-L1055 HydrophobicContact CD1-CB 4.3Å; I994-L1055 HydrophobicContact CD1-CD2 3.44Å; I994-L1055 VanDerWaalsContact CD1-CD2 3.44Å; I994-L1055 HydrophobicContact CD1-CG 4.5Å; V999-L1055 HydrophobicContact CB-CD2 4.32Å; V999-L1055 HydrophobicContact CG1-CD2 4.03Å; V999-L1055 HydrophobicContact CG2-CD2 4.17Å; M1002-L1055 HydrophobicContact CE-CD2 4.45Å; M1002-L1055 HydrophobicContact SD-CD2 4.17Å; V1044-L1055 HydrophobicContact CG1-CD1 4.29Å; V1044-L1055 HydrophobicContact CG1-CD2 4.3Å; V1044-L1055 HydrophobicContact CG2-CD1 4.22Å; L1050-L1055 HydrophobicContact CD1-CD1 4.23Å; S1051-L1055 PolarHBondContact O-N 2.92Å; Y1052-L1055 PolarHBondContact O-N 3.26Å; L1055-W1057 VanDerWaalsContact C-N 3.3Å; L1055-W1057 PolarHBondContact O-N 3.13Å; L1055-V1058 PolarHBondContact O-N 3.49Å; L1055-L1059 HydrophobicContact CD1-CD1 4.19Å; L1055-L1059 HydrophobicContact CD1-CG 4.26Å; L1055-L1059 HydrophobicContact CD2-CD1 4.37Å; L1055-L1059 HydrophobicContact CG-CD1 3.91Å; L1055-L1059 HydrophobicContact CG-CG 4.35Å; L1055-L1059 WeakPolarHBondContact O-CG 3.42Å; L1055-L1059 PolarHBondContact O-N 2.88Å
1056D95Very high93.4Very high73 Ų7338.7 Ų38.739%0.3919%0.189SC..Hα-helixtrans-61.5-40.1176.8-171.945000111.3M1002 Y1052 E1053 L1059 G1060M1002-D1056 HydrophobicContact CE-CB 3.78Å; Y1052-D1056 PolarHBondContact O-N 3.1Å; E1053-D1056 PolarHBondContact O-N 3.33Å; D1056-L1059 PolarHBondContact O-N 3.35Å; D1056-G1060 PolarHBondContact O-N 2.84Å
1057W95.8Very high93.6Very high70 Ų7042.9 Ų42.927%0.26521%0.208SC..Hα-helixtrans-60.6-47.1172.7-175.985.1000112.5N979 A980 I983 F984 E1053 L1055 L1059 G1060 E1061N979-W1057 HydrophobicContact CB-CH2 4.04Å; N979-W1057 HydrophobicContact CB-CZ3 4.26Å; A980-W1057 HydrophobicContact CB-CE3 3.71Å; A980-W1057 HydrophobicContact CB-CZ3 3.84Å; I983-W1057 HydrophobicContact CD1-CH2 3.46Å; I983-W1057 VanDerWaalsContact CD1-CH2 3.46Å; I983-W1057 HydrophobicContact CD1-CZ2 3.42Å; I983-W1057 VanDerWaalsContact CD1-CZ2 3.42Å; I983-W1057 HydrophobicContact CD1-CZ3 4.13Å; F984-W1057 HydrophobicContact CE2-CB 3.67Å; F984-W1057 HydrophobicContact CE2-CD2 4.16Å; F984-W1057 HydrophobicContact CE2-CE3 4.49Å; F984-W1057 AromaticContact CE2-CG 3.79Å; F984-W1057 HydrophobicContact CE2-CG 3.79Å; F984-W1057 HydrophobicContact CZ-CB 3.8Å; F984-W1057 HydrophobicContact CZ-CG 4.06Å; E1053-W1057 WeakPolarHBondContact O-CB 3.3Å; E1053-W1057 PolarHBondContact O-N 3.24Å; L1055-W1057 VanDerWaalsContact C-N 3.3Å; L1055-W1057 PolarHBondContact O-N 3.13Å; W1057-L1059 VanDerWaalsContact C-N 3.34Å; W1057-L1059 PolarHBondContact O-N 3.32Å; W1057-G1060 PolarHBondContact O-N 3.33Å; W1057-E1061 HydrophobicContact CD2-CG 4.03Å; W1057-E1061 HydrophobicContact CE3-CG 4.24Å; W1057-E1061 HydrophobicContact CH2-CG 3.82Å; W1057-E1061 HydrophobicContact CZ2-CG 3.56Å; W1057-E1061 HydrophobicContact CZ3-CG 4.14Å; W1057-E1061 WeakPolarHBondContact O-CB 3.48Å; W1057-E1061 PolarHBondContact O-N 3.44Å
1058V95.7Very high93.7Very high0 Ų043.9 Ų43.90%021%0.21CC..Hα-helixtrans-59.6-44176.1169.70000111.2L976 V977 A980 L1039 A1054 L1055 G1060 E1061 V1062L976-V1058 HydrophobicContact CB-CG1 4.47Å; V977-V1058 HydrophobicContact CG2-CG1 4.45Å; A980-V1058 HydrophobicContact CB-CG2 3.49Å; A980-V1058 VanDerWaalsContact CB-CG2 3.49Å; L1039-V1058 HydrophobicContact CD1-CG1 4.02Å; L1039-V1058 HydrophobicContact CD2-CG1 4.34Å; A1054-V1058 WeakPolarHBondContact O-CG2 3.47Å; A1054-V1058 PolarHBondContact O-N 2.81Å; L1055-V1058 PolarHBondContact O-N 3.49Å; V1058-G1060 VanDerWaalsContact C-N 3.35Å; V1058-E1061 PolarHBondContact O-N 3.3Å; V1058-V1062 WeakPolarHBondContact O-CB 3.38Å; V1058-V1062 VanDerWaalsContact O-CG2 3.28Å; V1058-V1062 WeakPolarHBondContact O-CG2 3.08Å; V1058-V1062 PolarHBondContact O-N 3.03Å
1059L95.7Very high93.8Very high1 Ų142.1 Ų42.11%0.00520%0.203CC..Hα-helixtrans-72.9-27.3179.4-65.5174.4000112.6M1002 V1003 T1006 L1039 L1055 D1056 W1057 R1063M1002-L1059 HydrophobicContact CB-CD1 3.7Å; M1002-L1059 HydrophobicContact CE-CD1 4.33Å; V1003-L1059 HydrophobicContact CG2-CD1 4.47Å; V1003-L1059 HydrophobicContact CG2-CD2 4.36Å; T1006-L1059 HydrophobicContact CG2-CB 4.42Å; T1006-L1059 HydrophobicContact CG2-CD2 3.97Å; L1039-L1059 HydrophobicContact CD1-CD2 3.61Å; L1055-L1059 HydrophobicContact CD1-CD1 4.19Å; L1055-L1059 HydrophobicContact CD1-CG 4.26Å; L1055-L1059 HydrophobicContact CD2-CD1 4.37Å; L1055-L1059 HydrophobicContact CG-CD1 3.91Å; L1055-L1059 HydrophobicContact CG-CG 4.35Å; L1055-L1059 WeakPolarHBondContact O-CG 3.42Å; L1055-L1059 PolarHBondContact O-N 2.88Å; D1056-L1059 PolarHBondContact O-N 3.35Å; W1057-L1059 VanDerWaalsContact C-N 3.34Å; W1057-L1059 PolarHBondContact O-N 3.32Å; L1059-R1063 VanDerWaalsContact O-CG 3.32Å; L1059-R1063 WeakPolarHBondContact O-CG 3.41Å; L1059-R1063 PolarHBondContact O-N 3.16Å; L1059-R1063 PolarHBondContact O-NE 2.82Å
1060G95.6Very high94Very high23 Ų2343.6 Ų43.624%0.23721%0.211CC..Hα-helixtrans-65.8-51.4168.400000112D1056 W1057 V1058 V1062 R1063 A1064D1056-G1060 PolarHBondContact O-N 2.84Å; W1057-G1060 PolarHBondContact O-N 3.33Å; V1058-G1060 VanDerWaalsContact C-N 3.35Å; G1060-V1062 PolarHBondContact O-N 3.3Å; G1060-R1063 PolarHBondContact O-N 3.01Å; G1060-R1063 VanDerWaalsContact O-N 3.17Å; G1060-A1064 PolarHBondContact O-N 3.22Å
1061E93.9Very high94.1Very high46 Ų4644.5 Ų44.522%0.21522%0.216CC..Hα-helixtrans-60.3-42.5176.3-80.2-70117.800112.4L976 W1057 V1058 R1063 A1064 R1065L976-E1061 HydrophobicContact CD1-CB 4.33Å; L976-E1061 HydrophobicContact CD2-CB 4.13Å; W1057-E1061 HydrophobicContact CD2-CG 4.03Å; W1057-E1061 HydrophobicContact CE3-CG 4.24Å; W1057-E1061 HydrophobicContact CH2-CG 3.82Å; W1057-E1061 HydrophobicContact CZ2-CG 3.56Å; W1057-E1061 HydrophobicContact CZ3-CG 4.14Å; W1057-E1061 WeakPolarHBondContact O-CB 3.48Å; W1057-E1061 PolarHBondContact O-N 3.44Å; V1058-E1061 PolarHBondContact O-N 3.3Å; E1061-R1063 VanDerWaalsContact C-N 3.32Å; E1061-R1063 PolarHBondContact O-N 2.95Å; E1061-A1064 PolarHBondContact O-N 3.13Å; E1061-R1065 WeakPolarHBondContact O-CB 3.35Å; E1061-R1065 WeakPolarHBondContact O-CG 3.49Å; E1061-R1065 PolarHBondContact O-N 3.03Å; E1061-R1065 IonicContact OE2-CZ 3.97Å; E1061-R1065 IonicContact OE2-NE 2.7Å; E1061-R1065 PolarHBondContact OE2-NE 3.28Å; E1061-R1065 IonicContact OE2-NH2 3.14Å; E1061-R1065 PolarHBondContact OE2-NH2 3.42Å
1062V94.7Very high94.1Very high2 Ų249.2 Ų49.21%0.01223%0.234CC..Hα-helixtrans-59.1-43.4174.7167.10000110.8L976 I1035 V1058 G1060 F1066L976-V1062 HydrophobicContact CD1-CG2 3.66Å; I1035-V1062 HydrophobicContact CD1-CG1 3.95Å; V1058-V1062 WeakPolarHBondContact O-CB 3.38Å; V1058-V1062 VanDerWaalsContact O-CG2 3.28Å; V1058-V1062 WeakPolarHBondContact O-CG2 3.08Å; V1058-V1062 PolarHBondContact O-N 3.03Å; G1060-V1062 PolarHBondContact O-N 3.3Å; V1062-F1066 WeakPolarHBondContact O-CB 3.26Å; V1062-F1066 PolarHBondContact O-N 2.9Å
1063R94.6Very high94.2Very high67 Ų6747 Ų4725%0.25323%0.232SC..Hα-helixtrans-65-48.2176.6-74.1177.8-72.2147.4-13.1112T1006 L1059 G1060 E1061 F1066 Q1067T1006-R1063 HydrophobicContact CG2-CG 3.99Å; L1059-R1063 VanDerWaalsContact O-CG 3.32Å; L1059-R1063 WeakPolarHBondContact O-CG 3.41Å; L1059-R1063 PolarHBondContact O-N 3.16Å; L1059-R1063 PolarHBondContact O-NE 2.82Å; G1060-R1063 PolarHBondContact O-N 3.01Å; G1060-R1063 VanDerWaalsContact O-N 3.17Å; E1061-R1063 VanDerWaalsContact C-N 3.32Å; E1061-R1063 PolarHBondContact O-N 2.95Å; R1063-F1066 PolarHBondContact O-N 3.18Å; R1063-Q1067 WeakPolarHBondContact O-CG 3.3Å; R1063-Q1067 PolarHBondContact O-N 3.46Å
1064A93.9Very high94.1Very high38 Ų3841 Ų4131%0.31421%0.205SC..Hα-helixtrans-63.6-47.3-17800000112.2G1060 E1061 Q1067 Q1068G1060-A1064 PolarHBondContact O-N 3.22Å; E1061-A1064 PolarHBondContact O-N 3.13Å; A1064-Q1067 PolarHBondContact O-N 3.01Å; A1064-Q1068 WeakPolarHBondContact O-CG 3.42Å; A1064-Q1068 PolarHBondContact O-N 3.46Å
1065R93.3Very high94.1Very high38 Ų3844 Ų4414%0.14322%0.219CC..Hα-helixtrans-71-29.9178.9-66.3-179-168.4-124.45.8112.7L648 C971 E1061 Q1068 A1069L648-R1065 PolarHBondContact O-NH1 3.09Å; C971-R1065 WeakPolarHBondContact SG-CB 3.39Å; E1061-R1065 WeakPolarHBondContact O-CB 3.35Å; E1061-R1065 WeakPolarHBondContact O-CG 3.49Å; E1061-R1065 PolarHBondContact O-N 3.03Å; E1061-R1065 IonicContact OE2-CZ 3.97Å; E1061-R1065 IonicContact OE2-NE 2.7Å; E1061-R1065 PolarHBondContact OE2-NE 3.28Å; E1061-R1065 IonicContact OE2-NH2 3.14Å; E1061-R1065 PolarHBondContact OE2-NH2 3.42Å; R1065-Q1068 PolarHBondContact O-N 3.28Å; R1065-A1069 VanDerWaalsContact O-CB 3.31Å; R1065-A1069 WeakPolarHBondContact O-CB 3.38Å; R1065-A1069 PolarHBondContact O-N 2.89Å
1066F94.2Very high94.1Very high6 Ų645.5 Ų45.53%0.02623%0.226CC..Hα-helixtrans-65.9-43.6172.3-177.8-104.7000111.5L886 P970 C971 L1010 V1012 T1028 L1031 V1062 R1063 Q1068 A1069 H1070L886-F1066 HydrophobicContact CD2-CD2 4.4Å; L886-F1066 HydrophobicContact CD2-CE2 3.85Å; L886-F1066 HydrophobicContact CD2-CZ 4.35Å; P970-F1066 HydrophobicContact CG-CD2 4.14Å; C971-F1066 PolarHBondContact SG-N 3.12Å; C971-F1066 VanDerWaalsContact SG-N 3.44Å; L1010-F1066 HydrophobicContact CB-CD1 4.24Å; L1010-F1066 HydrophobicContact CB-CE1 3.82Å; L1010-F1066 HydrophobicContact CB-CZ 4.22Å; L1010-F1066 HydrophobicContact CD2-CB 4.2Å; L1010-F1066 HydrophobicContact CD2-CD1 3.64Å; L1010-F1066 HydrophobicContact CD2-CE1 4.13Å; L1010-F1066 HydrophobicContact CD2-CG 3.92Å; L1010-F1066 HydrophobicContact CG-CD1 4.45Å; L1010-F1066 HydrophobicContact CG-CE1 4.47Å; V1012-F1066 HydrophobicContact CG2-CE1 4.24Å; V1012-F1066 HydrophobicContact CG2-CZ 3.61Å; T1028-F1066 HydrophobicContact CG2-CZ 4.32Å; L1031-F1066 HydrophobicContact CD2-CD2 3.37Å; L1031-F1066 HydrophobicContact CD2-CE2 3.28Å; L1031-F1066 HydrophobicContact CD2-CG 4.45Å; L1031-F1066 HydrophobicContact CD2-CZ 4.29Å; V1062-F1066 WeakPolarHBondContact O-CB 3.26Å; V1062-F1066 PolarHBondContact O-N 2.9Å; R1063-F1066 PolarHBondContact O-N 3.18Å; F1066-Q1068 VanDerWaalsContact C-N 3.34Å; F1066-Q1068 PolarHBondContact O-N 3.3Å; F1066-A1069 CarbonylContact O-C 3.45Å; F1066-A1069 WeakPolarHBondContact O-CB 3.37Å; F1066-A1069 PolarHBondContact O-N 3.45Å; F1066-A1069 VanDerWaalsContact O-N 3.09Å; F1066-H1070 AromaticContact CD1-NE2 3.48Å; F1066-H1070 WeakPolarHBondContact CD1-NE2 3.44Å; F1066-H1070 AromaticContact CE1-NE2 3.15Å; F1066-H1070 WeakPolarHBondContact CE1-NE2 3.42Å; F1066-H1070 AromaticContact CZ-NE2 3.79Å; F1066-H1070 PolarHBondContact O-CD2 3.43Å; F1066-H1070 PolarHBondContact O-N 2.83Å
1067Q92.8Very high94.1Very high127 Ų12742 Ų4259%0.59321%0.207SC*.Hα-helixtrans-62.3-38.6174-71.8174.9-15.900112.5R1063 A1064 A1069 H1070R1063-Q1067 WeakPolarHBondContact O-CG 3.3Å; R1063-Q1067 PolarHBondContact O-N 3.46Å; A1064-Q1067 PolarHBondContact O-N 3.01Å; Q1067-A1069 VanDerWaalsContact C-N 3.31Å; Q1067-H1070 WeakPolarHBondContact O-CB 3.31Å; Q1067-H1070 PolarHBondContact O-N 3.12Å
1068Q91.8Very high94Very high114 Ų11438.7 Ų38.753%0.53320%0.195SC..Hα-helixtrans-65.4-33.2172.1-69.5168.9-1.400112.6H890 A1064 R1065 F1066 H1070H890-Q1068 PolarHBondContact CE1-O 3.29Å; H890-Q1068 PolarHBondContact ND1-O 3Å; A1064-Q1068 WeakPolarHBondContact O-CG 3.42Å; A1064-Q1068 PolarHBondContact O-N 3.46Å; R1065-Q1068 PolarHBondContact O-N 3.28Å; F1066-Q1068 VanDerWaalsContact C-N 3.34Å; F1066-Q1068 PolarHBondContact O-N 3.3Å; Q1068-H1070 VanDerWaalsContact C-N 3.27Å; Q1068-H1070 PolarHBondContact O-N 3.44Å
1069A94Very high94Very high1 Ų139.8 Ų39.81%0.00820%0.204CC..THydrogen-bonded Turntrans-77.6-5178.100000114.3L886 D887 H890 P970 R1065 F1066 Q1067L886-A1069 CarbonylContact C-O 3.51Å; L886-A1069 VanDerWaalsContact CA-O 3.29Å; L886-A1069 WeakPolarHBondContact CA-O 3.47Å; L886-A1069 HydrophobicContact CD2-CB 4.5Å; D887-A1069 PolarHBondContact N-O 3.2Å; H890-A1069 HydrophobicContact CB-CB 3.61Å; P970-A1069 HydrophobicContact CB-CB 3.7Å; R1065-A1069 VanDerWaalsContact O-CB 3.31Å; R1065-A1069 WeakPolarHBondContact O-CB 3.38Å; R1065-A1069 PolarHBondContact O-N 2.89Å; F1066-A1069 CarbonylContact O-C 3.45Å; F1066-A1069 WeakPolarHBondContact O-CB 3.37Å; F1066-A1069 PolarHBondContact O-N 3.45Å; F1066-A1069 VanDerWaalsContact O-N 3.09Å; Q1067-A1069 VanDerWaalsContact C-N 3.31Å
1070H93.3Very high93.9Very high55 Ų5540.3 Ų40.326%0.25521%0.206SC..BIsolated β-bridgetrans-64.3138.1172.1-74.4-168.9000110.8I1011 F1066 Q1067 Q1068I1011-H1070 PolarHBondContact O-CE1 2.83Å; F1066-H1070 AromaticContact CD1-NE2 3.48Å; F1066-H1070 WeakPolarHBondContact CD1-NE2 3.44Å; F1066-H1070 AromaticContact CE1-NE2 3.15Å; F1066-H1070 WeakPolarHBondContact CE1-NE2 3.42Å; F1066-H1070 AromaticContact CZ-NE2 3.79Å; F1066-H1070 PolarHBondContact O-CD2 3.43Å; F1066-H1070 PolarHBondContact O-N 2.83Å; Q1067-H1070 WeakPolarHBondContact O-CB 3.31Å; Q1067-H1070 PolarHBondContact O-N 3.12Å; Q1068-H1070 VanDerWaalsContact C-N 3.27Å; Q1068-H1070 PolarHBondContact O-N 3.44Å
1071I94Very high93.9Very high20 Ų2039.2 Ų39.210%0.10320%0.195CC..PPolyproline II helixtrans-71.6135.4176-16761000111.6I863 Y881 G885 D887 E1075I863-I1071 HydrophobicContact CD1-CB 4.04Å; I863-I1071 HydrophobicContact CD1-CD1 4.4Å; I863-I1071 HydrophobicContact CD1-CG1 3.23Å; I863-I1071 HydrophobicContact CD1-CG2 3.58Å; Y881-I1071 HydrophobicContact CD1-CB 4.23Å; Y881-I1071 HydrophobicContact CD1-CD1 4.25Å; Y881-I1071 HydrophobicContact CD1-CG1 3.8Å; Y881-I1071 HydrophobicContact CD1-CG2 4.39Å; Y881-I1071 HydrophobicContact CE1-CD1 4.2Å; Y881-I1071 HydrophobicContact CE1-CG1 4.24Å; G885-I1071 VanDerWaalsContact O-CG2 3.31Å; G885-I1071 WeakPolarHBondContact O-CG2 2.77Å; G885-I1071 PolarHBondContact O-N 3.49Å; D887-I1071 HydrophobicContact CB-CD1 3.64Å; I1071-E1075 HydrophobicContact CD1-CB 4.41Å; I1071-E1075 HydrophobicContact CD1-CG 4.18Å
1072H93.2Very high93.9Very high126 Ų12637 Ų3758%0.58319%0.185SC*.PPolyproline II helixtrans-73.4131.9179.1-61.7-59.7000111.9E1075H1072-E1075 WeakPolarHBondContact O-CB 3.35Å; H1072-E1075 PolarHBondContact O-N 2.68Å
1073P93.7Very high93.9Very high54 Ų5439 Ų3935%0.35119%0.194SC..THydrogen-bonded Turntrans-56.2144.8166.2-2535.3000111.6Y865 E1075Y865-P1073 HydrophobicContact CD1-CB 3.62Å; Y865-P1073 HydrophobicContact CD1-CG 3.93Å; Y865-P1073 HydrophobicContact CE1-CB 3.76Å; Y865-P1073 HydrophobicContact CE1-CG 4.25Å; Y865-P1073 HydrophobicContact CG-CB 4.07Å; P1073-E1075 VanDerWaalsContact C-N 3.34Å
1074G92.2Very high93.8Very high1 Ų136 Ų361%0.0118%0.183CC..THydrogen-bonded Turntrans90.1-15.3-174.800000114.9I863 M1076 G1457I863-G1074 PolarHBondContact O-N 3.02Å; G1074-M1076 PolarHBondContact O-N 2.65Å; G1074-G1457 WeakPolarHBondContact O-CA 3.26Å; G1074-G1457 PolarHBondContact O-N 2.88Å
1075E94.1Very high93.7Very high63 Ų6334.5 Ų34.529%0.29417%0.17SC..  trans-63.2133.8-179.2-17864.8-179.500112.1M862 I863 I1071 H1072 P1073 V1077M862-E1075 WeakPolarHBondContact CA-O 3.45Å; I863-E1075 PolarHBondContact N-O 3.28Å; I1071-E1075 HydrophobicContact CD1-CB 4.41Å; I1071-E1075 HydrophobicContact CD1-CG 4.18Å; H1072-E1075 WeakPolarHBondContact O-CB 3.35Å; H1072-E1075 PolarHBondContact O-N 2.68Å; P1073-E1075 VanDerWaalsContact C-N 3.34Å; E1075-V1077 HydrophobicContact CB-CG1 4.38Å; E1075-V1077 HydrophobicContact CG-CG1 3.96Å; E1075-V1077 PolarHBondContact O-N 3.38Å
1076M94.2Very high93.4Very high31 Ų3132.7 Ų32.715%0.15316%0.163CC..  trans-85.958.8-173.7-65.1-53.4-61.100112.5E859 M862 G1074 G1078 A1079 L1080 V1444 I1456E859-M1076 WeakPolarHBondContact O-CE 3.42Å; M862-M1076 HydrophobicContact CB-CE 4.1Å; M862-M1076 HydrophobicContact CB-SD 3.53Å; M862-M1076 VanDerWaalsContact CB-SD 3.53Å; M862-M1076 HydrophobicContact CE-SD 4.34Å; M862-M1076 HydrophobicContact SD-SD 4.42Å; G1074-M1076 PolarHBondContact O-N 2.65Å; M1076-G1078 PolarHBondContact O-N 3.36Å; M1076-G1078 VanDerWaalsContact O-N 3.11Å; M1076-A1079 HydrophobicContact CB-CB 4.41Å; M1076-A1079 PolarHBondContact O-N 3.1Å; M1076-A1079 VanDerWaalsContact O-N 3.09Å; M1076-L1080 PolarHBondContact O-N 3.16Å; M1076-L1080 VanDerWaalsContact O-N 3.07Å; M1076-V1444 HydrophobicContact CE-CG2 4.06Å; M1076-I1456 HydrophobicContact CE-CB 4.38Å; M1076-I1456 HydrophobicContact CE-CG2 3.71Å; M1076-I1456 HydrophobicContact CG-CB 4Å; M1076-I1456 HydrophobicContact CG-CG2 4.38Å; M1076-I1456 HydrophobicContact SD-CB 3.49Å; M1076-I1456 WeakPolarHBondContact SD-CB 3.33Å; M1076-I1456 HydrophobicContact SD-CG2 3.37Å; M1076-I1456 WeakPolarHBondContact SD-CG2 3.37Å
1077V95.3Very high92.9Very high0 Ų033.5 Ų33.50%017%0.167CC..Hα-helixtrans-56.2-29.5-172.9-65.70000114.7I863 V869 Y881 E1075 A1081 L1390I863-V1077 HydrophobicContact CD1-CG1 3.57Å; I863-V1077 HydrophobicContact CD1-CG2 4.48Å; I863-V1077 HydrophobicContact CG1-CG1 4.03Å; I863-V1077 HydrophobicContact CG1-CG2 4.08Å; V869-V1077 HydrophobicContact CG1-CG2 4.04Å; Y881-V1077 HydrophobicContact CD1-CG1 4.07Å; Y881-V1077 HydrophobicContact CD2-CB 4Å; Y881-V1077 HydrophobicContact CD2-CG1 3.92Å; Y881-V1077 HydrophobicContact CD2-CG2 4.1Å; Y881-V1077 HydrophobicContact CE1-CG1 3.72Å; Y881-V1077 HydrophobicContact CE2-CB 3.52Å; Y881-V1077 HydrophobicContact CE2-CG1 3.62Å; Y881-V1077 HydrophobicContact CE2-CG2 4.08Å; Y881-V1077 HydrophobicContact CG-CG1 4.13Å; Y881-V1077 VanDerWaalsContact CZ-CG1 3.48Å; E1075-V1077 HydrophobicContact CB-CG1 4.38Å; E1075-V1077 HydrophobicContact CG-CG1 3.96Å; E1075-V1077 PolarHBondContact O-N 3.38Å; V1077-A1081 WeakPolarHBondContact O-CB 3.29Å; V1077-A1081 PolarHBondContact O-N 3.17Å; V1077-L1390 HydrophobicContact CB-CD2 4.26Å; V1077-L1390 HydrophobicContact CG2-CD2 4.02Å
1078G94.3Very high92.6Very high0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-70.2-43.6175.800000113.7M858 V861 M1076 L1080 A1081 A1082M858-G1078 WeakPolarHBondContact CB-O 3.34Å; M858-G1078 CarbonylContact O-C 3.52Å; M858-G1078 WeakPolarHBondContact O-CA 3.36Å; V861-G1078 PolarHBondContact O-N 3.4Å; M1076-G1078 PolarHBondContact O-N 3.36Å; M1076-G1078 VanDerWaalsContact O-N 3.11Å; G1078-L1080 VanDerWaalsContact C-N 3.29Å; G1078-L1080 PolarHBondContact O-N 3.5Å; G1078-A1081 PolarHBondContact O-N 3.37Å; G1078-A1082 WeakPolarHBondContact O-CB 3.08Å; G1078-A1082 PolarHBondContact O-N 3.11Å
1079A94.5Very high92.3Very high23 Ų2322.3 Ų22.319%0.1912%0.115CC..Hα-helixtrans-65-37.8173.900000111.1M1076 A1082 Q1083M1076-A1079 HydrophobicContact CB-CB 4.41Å; M1076-A1079 PolarHBondContact O-N 3.1Å; M1076-A1079 VanDerWaalsContact O-N 3.09Å; A1079-A1082 PolarHBondContact O-N 3.19Å; A1079-Q1083 WeakPolarHBondContact O-CG 3.29Å; A1079-Q1083 PolarHBondContact O-N 3.14Å; A1079-Q1083 VanDerWaalsContact O-N 3.09Å
1080L94.6Very high91.7Very high11 Ų1123 Ų236%0.05812%0.119CC..Hα-helixtrans-64-44.3175.7-171.263.3000112.4K456 P518 M1076 G1078 Q1083 S1084K456-L1080 HydrophobicContact CD-CD1 3.99Å; P518-L1080 HydrophobicContact CB-CD2 4.1Å; P518-L1080 HydrophobicContact CG-CD1 3.82Å; P518-L1080 HydrophobicContact CG-CD2 3.72Å; P518-L1080 HydrophobicContact CG-CG 4.16Å; M1076-L1080 PolarHBondContact O-N 3.16Å; M1076-L1080 VanDerWaalsContact O-N 3.07Å; G1078-L1080 VanDerWaalsContact C-N 3.29Å; G1078-L1080 PolarHBondContact O-N 3.5Å; L1080-Q1083 PolarHBondContact O-N 2.86Å; L1080-S1084 VanDerWaalsContact O-CB 3.27Å; L1080-S1084 WeakPolarHBondContact O-CB 3.25Å; L1080-S1084 PolarHBondContact O-N 3.41Å; L1080-S1084 PolarHBondContact O-OG 3.04Å
1081A95.3Very high90.8Very high0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-64.5-40.8175.400000112M858 V1077 G1078 Q1083 S1084 L1085 H1387 L1390M858-A1081 HydrophobicContact CE-CB 4.05Å; V1077-A1081 WeakPolarHBondContact O-CB 3.29Å; V1077-A1081 PolarHBondContact O-N 3.17Å; G1078-A1081 PolarHBondContact O-N 3.37Å; A1081-Q1083 VanDerWaalsContact C-N 3.35Å; A1081-Q1083 PolarHBondContact O-N 3.05Å; A1081-S1084 PolarHBondContact O-N 3Å; A1081-L1085 WeakPolarHBondContact O-CG 3.27Å; A1081-L1085 PolarHBondContact O-N 3.38Å; A1081-L1085 VanDerWaalsContact O-N 3.09Å; A1081-H1387 WeakPolarHBondContact CA-ND1 3.43Å; A1081-H1387 HydrophobicContact CB-CB 3.9Å; A1081-L1390 HydrophobicContact CB-CD2 4.08Å
1082A94.7Very high89.7Confident0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-60.9-42.8177.500000112.4L854 I855 M858 G1078 A1079 G1086L854-A1082 HydrophobicContact CB-CB 3.89Å; I855-A1082 HydrophobicContact CB-CB 4.34Å; I855-A1082 HydrophobicContact CG1-CB 3.72Å; M858-A1082 VanDerWaalsContact CE-CA 3.42Å; M858-A1082 HydrophobicContact CE-CB 3.56Å; M858-A1082 VanDerWaalsContact CE-N 3.3Å; G1078-A1082 WeakPolarHBondContact O-CB 3.08Å; G1078-A1082 PolarHBondContact O-N 3.11Å; A1079-A1082 PolarHBondContact O-N 3.19Å; A1082-G1086 PolarHBondContact O-N 2.85Å
1083Q93.9Very high88.6Confident45 Ų4517.6 Ų17.621%0.219%0.094CC..Hα-helixtrans-67.1-46174.8-70.7174.99.900111.4H455 A1079 L1080 A1081 L1085 G1086 E1087H455-Q1083 HydrophobicContact CB-CB 4.49Å; A1079-Q1083 WeakPolarHBondContact O-CG 3.29Å; A1079-Q1083 PolarHBondContact O-N 3.14Å; A1079-Q1083 VanDerWaalsContact O-N 3.09Å; L1080-Q1083 PolarHBondContact O-N 2.86Å; A1081-Q1083 VanDerWaalsContact C-N 3.35Å; A1081-Q1083 PolarHBondContact O-N 3.05Å; Q1083-L1085 PolarHBondContact O-N 3.47Å; Q1083-L1085 VanDerWaalsContact O-N 3.13Å; Q1083-G1086 PolarHBondContact O-N 2.91Å; Q1083-E1087 VanDerWaalsContact O-CB 3.31Å; Q1083-E1087 WeakPolarHBondContact O-CB 3.3Å; Q1083-E1087 PolarHBondContact O-N 3.3Å
1084S92.7Very high87Confident4 Ų418.3 Ų18.33%0.02810%0.095CC..Hα-helixtrans-61-22.7-178.6-620000114L1080 A1081 P1088L1080-S1084 VanDerWaalsContact O-CB 3.27Å; L1080-S1084 WeakPolarHBondContact O-CB 3.25Å; L1080-S1084 PolarHBondContact O-N 3.41Å; L1080-S1084 PolarHBondContact O-OG 3.04Å; A1081-S1084 PolarHBondContact O-N 3Å; S1084-P1088 WeakPolarHBondContact O-CD 3.49Å; S1084-P1088 WeakPolarHBondContact O-CG 3.37Å
1085L91.1Very high85.2Confident5 Ų520.5 Ų20.53%0.02611%0.106CC..Hα-helixtrans-98.7-33.1175-64.7172.1000113.3L854 A1081 Q1083 M1372 I1376 V1383 L1388 L1391L854-L1085 HydrophobicContact CD1-CB 4.26Å; A1081-L1085 WeakPolarHBondContact O-CG 3.27Å; A1081-L1085 PolarHBondContact O-N 3.38Å; A1081-L1085 VanDerWaalsContact O-N 3.09Å; Q1083-L1085 PolarHBondContact O-N 3.47Å; Q1083-L1085 VanDerWaalsContact O-N 3.13Å; L1085-M1372 HydrophobicContact CD1-CE 4.27Å; L1085-M1372 HydrophobicContact CD2-CE 4.36Å; L1085-I1376 HydrophobicContact CD2-CD1 3.69Å; L1085-V1383 HydrophobicContact CD2-CG1 3.9Å; L1085-L1388 HydrophobicContact CD2-CD2 3.5Å; L1085-L1388 VanDerWaalsContact CD2-CD2 3.5Å; L1085-L1388 HydrophobicContact CD2-CG 4.13Å; L1085-L1391 HydrophobicContact CD1-CB 4.03Å; L1085-L1391 HydrophobicContact CD1-CD2 3.53Å; L1085-L1391 HydrophobicContact CD1-CG 4.34Å
1086G87.7Confident83.3Confident0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-76.8-30.9179.800000114.4A1082 Q1083 A1089 T1090A1082-G1086 PolarHBondContact O-N 2.85Å; Q1083-G1086 PolarHBondContact O-N 2.91Å; G1086-A1089 PolarHBondContact O-N 2.65Å; G1086-T1090 PolarHBondContact O-N 3.33Å; G1086-T1090 PolarHBondContact O-OG1 3.2Å
1087E84.5Confident81Confident24 Ų2421.3 Ų21.311%0.11211%0.11CC..Hα-helixtrans-67.1-50.9178.6-173.5-72.9149.200111.7L454 H455 Q519 Q1083 A1089 T1090 Q1091L454-E1087 HydrophobicContact CB-CB 4.42Å; L454-E1087 HydrophobicContact CB-CG 4.26Å; H455-E1087 HydrophobicContact CB-CB 4.4Å; H455-E1087 HydrophobicContact CB-CG 4.19Å; Q519-E1087 PolarHBondContact NE2-OE2 3.48Å; Q1083-E1087 VanDerWaalsContact O-CB 3.31Å; Q1083-E1087 WeakPolarHBondContact O-CB 3.3Å; Q1083-E1087 PolarHBondContact O-N 3.3Å; E1087-A1089 VanDerWaalsContact C-N 3.28Å; E1087-A1089 PolarHBondContact O-N 3.22Å; E1087-T1090 PolarHBondContact O-N 2.82Å; E1087-Q1091 PolarHBondContact O-N 3.01Å; E1087-Q1091 VanDerWaalsContact O-N 3.1Å; E1087-Q1091 PolarHBondContact OE1-NE2 2.88Å
1088P85.2Confident78.6Confident4 Ų427.9 Ų27.93%0.02614%0.14CC..Hα-helixtrans-60.5-35.7173.3-2636.3000112.8Q519 S1084 T1090 Q1091 M1092 V1383Q519-P1088 VanDerWaalsContact NE2-CG 3.27Å; S1084-P1088 WeakPolarHBondContact O-CD 3.49Å; S1084-P1088 WeakPolarHBondContact O-CG 3.37Å; P1088-T1090 PolarHBondContact O-N 2.68Å; P1088-Q1091 CarbonylContact O-C 3.43Å; P1088-Q1091 WeakPolarHBondContact O-CA 3.46Å; P1088-Q1091 WeakPolarHBondContact O-CB 3.47Å; P1088-Q1091 PolarHBondContact O-N 3.35Å; P1088-M1092 WeakPolarHBondContact O-CG 3.24Å; P1088-M1092 PolarHBondContact O-N 3.19Å; P1088-V1383 HydrophobicContact CG-CG2 3.84Å
1089A85.4Confident76.1Confident1 Ų131.9 Ų31.91%0.00816%0.156CC..Hα-helixtrans-60.8-32.4177.500000112.7T847 G1086 E1087 M1092 L1114T847-A1089 HydrophobicContact CG2-CB 4.46Å; T847-A1089 WeakPolarHBondContact CG2-O 3.16Å; G1086-A1089 PolarHBondContact O-N 2.65Å; E1087-A1089 VanDerWaalsContact C-N 3.28Å; E1087-A1089 PolarHBondContact O-N 3.22Å; A1089-M1092 HydrophobicContact CB-CE 4.07Å; A1089-L1114 HydrophobicContact CB-CD2 3.68Å
1090T81.1Confident73.4Confident15 Ų1532.9 Ų32.99%0.09216%0.164CC..Hα-helixtrans-76.3-36.1172.3-550000111.4L454 T847 G1086 E1087 P1088 M1092 T1093 L1094L454-T1090 HydrophobicContact CD1-CG2 3.86Å; T847-T1090 WeakPolarHBondContact CB-OG1 3.43Å; T847-T1090 PolarHBondContact OG1-OG1 3.44Å; G1086-T1090 PolarHBondContact O-N 3.33Å; G1086-T1090 PolarHBondContact O-OG1 3.2Å; E1087-T1090 PolarHBondContact O-N 2.82Å; P1088-T1090 PolarHBondContact O-N 2.68Å; T1090-M1092 PolarHBondContact O-N 2.99Å; T1090-T1093 VanDerWaalsContact O-CB 3.28Å; T1090-T1093 WeakPolarHBondContact O-CB 3.46Å; T1090-T1093 PolarHBondContact O-N 3.2Å; T1090-T1093 VanDerWaalsContact O-N 3.16Å; T1090-L1094 PolarHBondContact O-N 3.04Å
1091Q74.7Confident70.7Confident79 Ų7933.1 Ų33.137%0.36917%0.17SC..Hα-helixtrans-62-40.7171.2-62.8-162.83.600112.9E1087 P1088 T1093 L1094 N1095E1087-Q1091 PolarHBondContact O-N 3.01Å; E1087-Q1091 VanDerWaalsContact O-N 3.1Å; E1087-Q1091 PolarHBondContact OE1-NE2 2.88Å; P1088-Q1091 CarbonylContact O-C 3.43Å; P1088-Q1091 WeakPolarHBondContact O-CA 3.46Å; P1088-Q1091 WeakPolarHBondContact O-CB 3.47Å; P1088-Q1091 PolarHBondContact O-N 3.35Å; Q1091-T1093 PolarHBondContact O-N 3.48Å; Q1091-T1093 VanDerWaalsContact O-N 3.14Å; Q1091-L1094 PolarHBondContact O-N 2.96Å; Q1091-L1094 VanDerWaalsContact O-N 3.1Å; Q1091-N1095 WeakPolarHBondContact O-CB 3.34Å; Q1091-N1095 VanDerWaalsContact O-CG 3.3Å; Q1091-N1095 PolarHBondContact O-N 3.47Å; Q1091-N1095 PolarHBondContact O-ND2 3.28Å
1092M72.4Confident68Low9 Ų937 Ų374%0.04419%0.193CC..Hα-helixtrans-56.3-30.8174.4-64.3-164.8-75.700112.5P1088 A1089 T1090 T1096 V1111 L1114 V1375 D1379P1088-M1092 WeakPolarHBondContact O-CG 3.24Å; P1088-M1092 PolarHBondContact O-N 3.19Å; A1089-M1092 HydrophobicContact CB-CE 4.07Å; T1090-M1092 PolarHBondContact O-N 2.99Å; M1092-T1096 PolarHBondContact O-N 3.02Å; M1092-T1096 PolarHBondContact O-OG1 2.89Å; M1092-V1111 HydrophobicContact CE-CG2 4.36Å; M1092-L1114 HydrophobicContact CE-CD2 4.32Å; M1092-V1375 HydrophobicContact CE-CG1 4.13Å; M1092-V1375 HydrophobicContact SD-CG1 4.37Å; M1092-D1379 WeakPolarHBondContact CA-OD2 3.34Å; M1092-D1379 WeakPolarHBondContact CG-OD2 3.17Å
1093T68.8Low65.2Low0 Ų039.7 Ų39.70%021%0.212CC..Hα-helixtrans-70.5-53.9174-66.20000111.4T840 K843 T847 T1090 Q1091 N1095 T1096T840-T1093 HydrophobicContact CG2-CG2 4.48Å; K843-T1093 HydrophobicContact CB-CG2 3.45Å; K843-T1093 VanDerWaalsContact CB-CG2 3.45Å; K843-T1093 VanDerWaalsContact CB-OG1 3.31Å; K843-T1093 WeakPolarHBondContact CB-OG1 3.14Å; K843-T1093 HydrophobicContact CD-CG2 4.36Å; T847-T1093 WeakPolarHBondContact CG2-OG1 3.31Å; T1090-T1093 VanDerWaalsContact O-CB 3.28Å; T1090-T1093 WeakPolarHBondContact O-CB 3.46Å; T1090-T1093 PolarHBondContact O-N 3.2Å; T1090-T1093 VanDerWaalsContact O-N 3.16Å; Q1091-T1093 PolarHBondContact O-N 3.48Å; Q1091-T1093 VanDerWaalsContact O-N 3.14Å; T1093-N1095 VanDerWaalsContact C-N 3.29Å; T1093-N1095 PolarHBondContact O-N 3.48Å; T1093-T1096 WeakPolarHBondContact O-CB 3.5Å; T1093-T1096 PolarHBondContact O-N 2.95Å; T1093-T1096 PolarHBondContact O-OG1 3.22Å
1094L60.6Low62.7Low70 Ų7041.5 Ų41.537%0.36623%0.234SC..Hα-helixtrans-62.1-38.9-177.6-63.1171.2000111.6T840 T1090 Q1091 T1096T840-L1094 HydrophobicContact CG2-CD2 4.05Å; T1090-L1094 PolarHBondContact O-N 3.04Å; Q1091-L1094 PolarHBondContact O-N 2.96Å; Q1091-L1094 VanDerWaalsContact O-N 3.1Å; L1094-T1096 PolarHBondContact O-N 2.97Å
1095N55Low60.5Low47 Ų4747.8 Ų47.825%0.25126%0.261SS..THydrogen-bonded Turntrans-71.5-13.3177.2-67.1-25000113.7Q1091 T1093 F1097 H1098 Y1099Q1091-N1095 WeakPolarHBondContact O-CB 3.34Å; Q1091-N1095 VanDerWaalsContact O-CG 3.3Å; Q1091-N1095 PolarHBondContact O-N 3.47Å; Q1091-N1095 PolarHBondContact O-ND2 3.28Å; T1093-N1095 VanDerWaalsContact C-N 3.29Å; T1093-N1095 PolarHBondContact O-N 3.48Å; N1095-F1097 PolarHBondContact O-N 3.2Å; N1095-F1097 VanDerWaalsContact O-N 3.15Å; N1095-H1098 PolarHBondContact O-N 3.31Å; N1095-Y1099 HydrophobicContact CB-CD2 4.3Å; N1095-Y1099 HydrophobicContact CB-CE2 4.01Å; N1095-Y1099 VanDerWaalsContact O-CD2 3.25Å; N1095-Y1099 WeakPolarHBondContact O-CD2 3Å; N1095-Y1099 PolarHBondContact O-N 3.27Å
1096T54.2Low58.5Low25 Ų2553.7 Ų53.715%0.15329%0.293CS..Hα-helixtrans-54-36.3175.2-64.80000110.7D839 K843 M1092 T1093 L1094 H1098 Y1099 A1100D839-T1096 HydrophobicContact CB-CG2 4.12Å; D839-T1096 WeakPolarHBondContact OD2-CG2 3.04Å; K843-T1096 VanDerWaalsContact NZ-CG2 3.3Å; K843-T1096 PolarHBondContact NZ-OG1 3.25Å; M1092-T1096 PolarHBondContact O-N 3.02Å; M1092-T1096 PolarHBondContact O-OG1 2.89Å; T1093-T1096 WeakPolarHBondContact O-CB 3.5Å; T1093-T1096 PolarHBondContact O-N 2.95Å; T1093-T1096 PolarHBondContact O-OG1 3.22Å; L1094-T1096 PolarHBondContact O-N 2.97Å; T1096-H1098 VanDerWaalsContact C-N 3.26Å; T1096-H1098 PolarHBondContact O-N 3.38Å; T1096-Y1099 CarbonylContact O-C 3.6Å; T1096-Y1099 PolarHBondContact O-N 3.24Å; T1096-Y1099 VanDerWaalsContact O-N 3.12Å; T1096-A1100 PolarHBondContact O-N 3.49Å
1097F44.7Very low56.8Low85 Ų8556.8 Ų56.837%0.37331%0.311SS..Hα-helixtrans-55.8-34.8174.5-93.2-69.1000114.7G836 L837 T840 N1095G836-F1097 VanDerWaalsContact C-CE1 3.4Å; G836-F1097 WeakPolarHBondContact O-CE2 3.38Å; G836-F1097 WeakPolarHBondContact O-CZ 3.33Å; L837-F1097 HydrophobicContact CB-CZ 4.2Å; L837-F1097 HydrophobicContact CD2-CE1 4.48Å; L837-F1097 HydrophobicContact CD2-CZ 3.77Å; L837-F1097 HydrophobicContact CG-CE1 4.04Å; L837-F1097 HydrophobicContact CG-CZ 3.72Å; T840-F1097 HydrophobicContact CG2-CE2 4.1Å; T840-F1097 WeakPolarHBondContact OG1-CD2 3.35Å; T840-F1097 WeakPolarHBondContact OG1-CE2 3.39Å; N1095-F1097 PolarHBondContact O-N 3.2Å; N1095-F1097 VanDerWaalsContact O-N 3.15Å
1098H44.3Very low55.6Low138 Ų13856.9 Ų56.964%0.63931%0.314SS*.Hα-helixtrans-84-17.7-179.1-64.1-47.5000112.9N1095 T1096N1095-H1098 PolarHBondContact O-N 3.31Å; T1096-H1098 VanDerWaalsContact C-N 3.26Å; T1096-H1098 PolarHBondContact O-N 3.38Å
1099Y43.8Very low54.9Low85 Ų8558.5 Ų58.533%0.33332%0.322SS..Hα-helixtrans-104.6-10.7178-60.4-58.8000113.8N1095 T1096 G1101 V1102N1095-Y1099 HydrophobicContact CB-CD2 4.3Å; N1095-Y1099 HydrophobicContact CB-CE2 4.01Å; N1095-Y1099 VanDerWaalsContact O-CD2 3.25Å; N1095-Y1099 WeakPolarHBondContact O-CD2 3Å; N1095-Y1099 PolarHBondContact O-N 3.27Å; T1096-Y1099 CarbonylContact O-C 3.6Å; T1096-Y1099 PolarHBondContact O-N 3.24Å; T1096-Y1099 VanDerWaalsContact O-N 3.12Å; Y1099-G1101 PolarHBondContact O-N 2.83Å; Y1099-V1102 PolarHBondContact O-N 3.43Å
1100A36.8Very low54.4Low44 Ų4459.1 Ų59.136%0.36433%0.328SS..THydrogen-bonded Turntrans-55.4111.216900000109.3T1096T1096-A1100 PolarHBondContact O-N 3.49Å
1101G37.4Very low54.4Low16 Ų1658.6 Ų58.617%0.16533%0.325CS..THydrogen-bonded Turntrans123.3-19.2-168.600000115.2N782 Y1099N782-G1101 PolarHBondContact ND2-O 2.83Å; Y1099-G1101 PolarHBondContact O-N 2.83Å
1102V39.4Very low54.8Low80 Ų8057.1 Ų57.149%0.48532%0.322SS..  trans-11190.8-172.5-161.20000112.3Y1099 A1104Y1099-V1102 PolarHBondContact O-N 3.43Å; V1102-A1104 PolarHBondContact O-N 3.15Å
1103S36Very low55.5Low57 Ų5757.1 Ų57.140%0.39932%0.322SS..  trans-89.4104.1177.8-163.10000111.5G785G785-S1103 WeakPolarHBondContact O-CB 3.25Å; G785-S1103 PolarHBondContact O-OG 3.46Å
1104A40.2Very low56.4Low83 Ų8357.3 Ų57.369%0.68632%0.323SS*.  trans-115.2-22.1-172.700000115.4V1102V1102-A1104 PolarHBondContact O-N 3.15Å
1105K47.5Very low57.7Low136 Ų13657.3 Ų57.359%0.59132%0.32SS*.  trans-164.7146.8-179.2-109.3168.7-176.5-161.80112.4V1107K1105-V1107 HydrophobicContact CB-CG2 4.4Å; K1105-V1107 PolarHBondContact O-N 3.32Å
1106N49.4Very low59.4Low130 Ų13056 Ų5670%0.69531%0.312SS*.SBendtrans-78.313177.3-67.5-18.4000114.5
1107V51.7Low61.2Low64 Ų6454.9 Ų54.939%0.38831%0.305SS..SBendtrans-85.5137.2-175.6-176.30000109.4K1105 L1109K1105-V1107 HydrophobicContact CB-CG2 4.4Å; K1105-V1107 PolarHBondContact O-N 3.32Å; V1107-L1109 HydrophobicContact CB-CG 4.36Å; V1107-L1109 HydrophobicContact CG1-CD2 4.18Å; V1107-L1109 HydrophobicContact CG1-CG 4.28Å; V1107-L1109 PolarHBondContact O-N 3.04Å
1108T59.8Low63.5Low27 Ų2750.9 Ų50.917%0.16629%0.288CS..  trans-67.3118.4170.151.70000109.9R1113 K1125 T1126T1108-R1113 VanDerWaalsContact O-CB 3.3Å; T1108-R1113 WeakPolarHBondContact O-CB 3.47Å; T1108-R1113 WeakPolarHBondContact O-CG 3.37Å; T1108-K1125 HydrophobicContact CG2-CB 3.86Å; T1108-K1125 HydrophobicContact CG2-CD 4.03Å; T1108-T1126 HydrophobicContact CG2-CG2 4.1Å; T1108-T1126 PolarHBondContact N-OG1 2.78Å; T1108-T1126 PolarHBondContact OG1-OG1 2.8Å; T1108-T1126 VanDerWaalsContact OG1-OG1 3.12Å
1109L69.5Low65.7Low38 Ų3846.9 Ų46.920%0.19927%0.271CS..  trans-127.4171.8-178.6-68.2175000111V1107 P1112 F1378V1107-L1109 HydrophobicContact CB-CG 4.36Å; V1107-L1109 HydrophobicContact CG1-CD2 4.18Å; V1107-L1109 HydrophobicContact CG1-CG 4.28Å; V1107-L1109 PolarHBondContact O-N 3.04Å; L1109-P1112 WeakPolarHBondContact O-CD 3.25Å; L1109-F1378 HydrophobicContact CD1-CD1 4.45Å; L1109-F1378 HydrophobicContact CD1-CD2 3.82Å; L1109-F1378 HydrophobicContact CD1-CE1 4.25Å; L1109-F1378 HydrophobicContact CD1-CE2 3.58Å; L1109-F1378 HydrophobicContact CD1-CG 4.25Å; L1109-F1378 HydrophobicContact CD1-CZ 3.82Å
1110G75.8Confident68Low13 Ų1344 Ų4413%0.13426%0.263CS..SBendtrans64.3-146.4-179.400000114R1113 L1114G1110-R1113 PolarHBondContact O-N 3.48Å; G1110-R1113 VanDerWaalsContact O-N 3.08Å; G1110-L1114 PolarHBondContact O-N 2.72Å
1111V81.7Confident70.6Confident5 Ų544.1 Ų44.13%0.0326%0.26CS..Hα-helixtrans-55-42-173.8-175.50000114T847 I850 M1092 R1113 L1114 K1115T847-V1111 HydrophobicContact CG2-CB 4.45Å; T847-V1111 HydrophobicContact CG2-CG1 3.88Å; T847-V1111 HydrophobicContact CG2-CG2 3.66Å; I850-V1111 HydrophobicContact CD1-CG1 3.79Å; M1092-V1111 HydrophobicContact CE-CG2 4.36Å; V1111-R1113 VanDerWaalsContact C-N 3.35Å; V1111-R1113 PolarHBondContact O-N 2.98Å; V1111-L1114 PolarHBondContact O-N 2.93Å; V1111-K1115 WeakPolarHBondContact O-CB 3.47Å; V1111-K1115 PolarHBondContact O-N 2.97Å
1112P82.8Confident73.1Confident47 Ų4751.6 Ų51.631%0.30529%0.289SS..Hα-helixtrans-57.5-41.4174.5-27.836.1000114.1L1109 K1115 E1116L1109-P1112 WeakPolarHBondContact O-CD 3.25Å; P1112-K1115 WeakPolarHBondContact O-CB 3.37Å; P1112-K1115 PolarHBondContact O-N 3.33Å; P1112-E1116 PolarHBondContact O-N 2.87Å; P1112-E1116 VanDerWaalsContact O-N 3.13Å
1113R85.7Confident75.4Confident9 Ų958.5 Ų58.53%0.03431%0.306CS..Hα-helixtrans-72.3-42.2178.8-174.161.8-175159.7-0.6111.6T1108 G1110 V1111 K1115 E1116 I1117 N1350 E1371 V1375T1108-R1113 VanDerWaalsContact O-CB 3.3Å; T1108-R1113 WeakPolarHBondContact O-CB 3.47Å; T1108-R1113 WeakPolarHBondContact O-CG 3.37Å; G1110-R1113 PolarHBondContact O-N 3.48Å; G1110-R1113 VanDerWaalsContact O-N 3.08Å; V1111-R1113 VanDerWaalsContact C-N 3.35Å; V1111-R1113 PolarHBondContact O-N 2.98Å; R1113-K1115 PolarHBondContact O-N 3.12Å; R1113-E1116 IonicContact NH1-OE2 3.47Å; R1113-E1116 PolarHBondContact NH1-OE2 3.03Å; R1113-E1116 WeakPolarHBondContact O-CB 3.33Å; R1113-E1116 PolarHBondContact O-N 2.7Å; R1113-E1116 VanDerWaalsContact O-N 3.07Å; R1113-I1117 HydrophobicContact CG-CD1 4.12Å; R1113-I1117 WeakPolarHBondContact O-CG1 3.2Å; R1113-I1117 PolarHBondContact O-N 3.13Å; R1113-N1350 PolarHBondContact NH2-O 3.27Å; R1113-E1371 IonicContact CZ-OE2 3.54Å; R1113-E1371 IonicContact NE-OE2 2.72Å; R1113-E1371 PolarHBondContact NE-OE2 3.17Å; R1113-E1371 VanDerWaalsContact NE-OE2 3.11Å; R1113-E1371 IonicContact NH2-OE2 3.48Å; R1113-E1371 PolarHBondContact NH2-OE2 3.44Å; R1113-V1375 HydrophobicContact CB-CG2 3.89Å; R1113-V1375 HydrophobicContact CG-CG2 3.5Å; R1113-V1375 VanDerWaalsContact CG-CG2 3.5Å
1114L87.7Confident77.8Confident5 Ų556.5 Ų56.53%0.02629%0.292CS..Hα-helixtrans-54.3-42.3172.2-17562.3000111.4I850 A1089 M1092 G1110 V1111 I1117 I1118 M1372 V1375I850-L1114 HydrophobicContact CG2-CD2 4.43Å; A1089-L1114 HydrophobicContact CB-CD2 3.68Å; M1092-L1114 HydrophobicContact CE-CD2 4.32Å; G1110-L1114 PolarHBondContact O-N 2.72Å; V1111-L1114 PolarHBondContact O-N 2.93Å; L1114-I1117 PolarHBondContact O-N 2.87Å; L1114-I1118 HydrophobicContact CD1-CD1 3.72Å; L1114-I1118 HydrophobicContact CD1-CG1 4.2Å; L1114-I1118 HydrophobicContact CD2-CD1 4.43Å; L1114-I1118 HydrophobicContact CG-CD1 3.71Å; L1114-I1118 HydrophobicContact CG-CG1 4.44Å; L1114-I1118 WeakPolarHBondContact O-CB 3.29Å; L1114-I1118 WeakPolarHBondContact O-CG1 3.23Å; L1114-I1118 PolarHBondContact O-N 2.9Å; L1114-M1372 HydrophobicContact CD1-CE 3.81Å; L1114-V1375 HydrophobicContact CB-CG1 4.22Å
1115K89.5Confident79.8Confident70 Ų7059.8 Ų59.830%0.30429%0.29SS..Hα-helixtrans-65.8-37.9176.5-175.2-179.2-177.1-178.30112.8E846 I850 V1111 P1112 R1113 N1119E846-K1115 IonicContact OE1-NZ 3.6Å; E846-K1115 PolarHBondContact OE1-NZ 2.63Å; E846-K1115 IonicContact OE2-NZ 2.67Å; E846-K1115 PolarHBondContact OE2-NZ 2.87Å; I850-K1115 HydrophobicContact CD1-CB 4.39Å; V1111-K1115 WeakPolarHBondContact O-CB 3.47Å; V1111-K1115 PolarHBondContact O-N 2.97Å; P1112-K1115 WeakPolarHBondContact O-CB 3.37Å; P1112-K1115 PolarHBondContact O-N 3.33Å; R1113-K1115 PolarHBondContact O-N 3.12Å; K1115-N1119 WeakPolarHBondContact O-CB 3.47Å; K1115-N1119 PolarHBondContact O-N 3.26Å; K1115-N1119 VanDerWaalsContact O-N 3.08Å; K1115-N1119 PolarHBondContact O-ND2 3.47Å; K1115-N1119 VanDerWaalsContact O-ND2 3.15Å
1116E90.1Very high81.4Confident18 Ų1855 Ų558%0.08427%0.273CS..Hα-helixtrans-63.4-46.4174.3-74.2176.4-171.600112.2P1112 R1113 N1119 V1120 S1121 K1125P1112-E1116 PolarHBondContact O-N 2.87Å; P1112-E1116 VanDerWaalsContact O-N 3.13Å; R1113-E1116 IonicContact NH1-OE2 3.47Å; R1113-E1116 PolarHBondContact NH1-OE2 3.03Å; R1113-E1116 WeakPolarHBondContact O-CB 3.33Å; R1113-E1116 PolarHBondContact O-N 2.7Å; R1113-E1116 VanDerWaalsContact O-N 3.07Å; E1116-N1119 PolarHBondContact O-N 2.77Å; E1116-V1120 PolarHBondContact O-N 2.84Å; E1116-V1120 VanDerWaalsContact O-N 3.08Å; E1116-S1121 PolarHBondContact O-N 3.03Å; E1116-S1121 VanDerWaalsContact O-N 3.09Å; E1116-K1125 VanDerWaalsContact OE1-CB 3.31Å; E1116-K1125 WeakPolarHBondContact OE1-CB 3.42Å; E1116-K1125 WeakPolarHBondContact OE1-CD 3.41Å; E1116-K1125 WeakPolarHBondContact OE1-CG 3.28Å; E1116-K1125 PolarHBondContact OE1-N 2.9Å
1117I92.2Very high83.2Confident2 Ų250.4 Ų50.41%0.0125%0.25CC..Hα-helixtrans-63.6-54179.4-62.5163.1000110.5R1113 L1114 N1119 V1120 I1352 I1368 E1371 M1372 V1375R1113-I1117 HydrophobicContact CG-CD1 4.12Å; R1113-I1117 WeakPolarHBondContact O-CG1 3.2Å; R1113-I1117 PolarHBondContact O-N 3.13Å; L1114-I1117 PolarHBondContact O-N 2.87Å; I1117-N1119 PolarHBondContact O-N 2.83Å; I1117-V1120 PolarHBondContact O-N 2.92Å; I1117-I1352 HydrophobicContact CB-CD1 4.34Å; I1117-I1352 HydrophobicContact CG1-CD1 4.09Å; I1117-I1352 HydrophobicContact CG2-CD1 3.91Å; I1117-I1368 HydrophobicContact CG2-CG2 4.11Å; I1117-E1371 HydrophobicContact CD1-CB 3.84Å; I1117-M1372 HydrophobicContact CD1-CG 4.42Å; I1117-M1372 HydrophobicContact CG2-CG 4.06Å; I1117-M1372 HydrophobicContact CG2-SD 4.49Å; I1117-V1375 HydrophobicContact CD1-CG2 4.25Å
1118I91.5Very high84.8Confident1 Ų148.9 Ų48.91%0.00524%0.242CC..Hα-helixtrans-62.6-30.5-178.6-68.7178.7000112I850 L854 L1114 I1404I850-I1118 HydrophobicContact CG2-CD1 3.79Å; L854-I1118 HydrophobicContact CD1-CD1 4.47Å; L854-I1118 HydrophobicContact CD2-CD1 4.13Å; L854-I1118 HydrophobicContact CG-CD1 4.49Å; L1114-I1118 HydrophobicContact CD1-CD1 3.72Å; L1114-I1118 HydrophobicContact CD1-CG1 4.2Å; L1114-I1118 HydrophobicContact CD2-CD1 4.43Å; L1114-I1118 HydrophobicContact CG-CD1 3.71Å; L1114-I1118 HydrophobicContact CG-CG1 4.44Å; L1114-I1118 WeakPolarHBondContact O-CB 3.29Å; L1114-I1118 WeakPolarHBondContact O-CG1 3.23Å; L1114-I1118 PolarHBondContact O-N 2.9Å; I1118-I1404 HydrophobicContact CG2-CB 3.75Å; I1118-I1404 HydrophobicContact CG2-CD1 4.3Å; I1118-I1404 HydrophobicContact CG2-CG1 4.2Å; I1118-I1404 PolarHBondContact O-N 3.37Å
1119N91.6Very high86.2Confident54 Ų5447.6 Ų47.629%0.28923%0.234SC..Hα-helixtrans-81.5-15.5174.8-70.3-12.6000113.7R853 K1115 E1116 I1117 A1403R853-N1119 VanDerWaalsContact CZ-OD1 3.28Å; R853-N1119 PolarHBondContact NH1-OD1 2.75Å; R853-N1119 PolarHBondContact NH2-OD1 2.89Å; K1115-N1119 WeakPolarHBondContact O-CB 3.47Å; K1115-N1119 PolarHBondContact O-N 3.26Å; K1115-N1119 VanDerWaalsContact O-N 3.08Å; K1115-N1119 PolarHBondContact O-ND2 3.47Å; K1115-N1119 VanDerWaalsContact O-ND2 3.15Å; E1116-N1119 PolarHBondContact O-N 2.77Å; I1117-N1119 PolarHBondContact O-N 2.83Å; N1119-A1403 VanDerWaalsContact O-CB 3.26Å; N1119-A1403 WeakPolarHBondContact O-CB 3.38Å
1120V91.8Very high87.2Confident26 Ų2647.1 Ų47.116%0.15823%0.233CC..THydrogen-bonded Turntrans50.562.4-166.7-169.60000110.4E1116 I1117 K1122 V1353 M1395 L1401 A1403E1116-V1120 PolarHBondContact O-N 2.84Å; E1116-V1120 VanDerWaalsContact O-N 3.08Å; I1117-V1120 PolarHBondContact O-N 2.92Å; V1120-K1122 PolarHBondContact O-N 2.87Å; V1120-V1353 HydrophobicContact CG1-CG2 3.88Å; V1120-M1395 HydrophobicContact CG2-CE 3.71Å; V1120-L1401 HydrophobicContact CG1-CB 4.2Å; V1120-L1401 HydrophobicContact CG1-CD1 3.88Å; V1120-L1401 HydrophobicContact CG1-CD2 4.45Å; V1120-L1401 HydrophobicContact CG1-CG 4.41Å; V1120-L1401 HydrophobicContact CG2-CD2 4.4Å; V1120-A1403 HydrophobicContact CB-CB 4.11Å; V1120-A1403 HydrophobicContact CG2-CB 3.92Å
1121S90.6Very high88Confident45 Ų4546.5 Ų46.532%0.31523%0.227SC..  trans-66.3122.7-179.8-169.50000111.5E1116 R1123E1116-S1121 PolarHBondContact O-N 3.03Å; E1116-S1121 VanDerWaalsContact O-N 3.09Å; S1121-R1123 PolarHBondContact O-N 3.35Å; S1121-R1123 PolarHBondContact OG-N 3.37Å; S1121-R1123 PolarHBondContact OG-O 2.9Å
1122K89.8Confident88.5Confident174 Ų17447.5 Ų47.576%0.75723%0.231SC*.SBendtrans-66.1-10.7173.1-68.2-167.7169.9-157.20114.9V1120V1120-K1122 PolarHBondContact O-N 2.87Å
1123R88.7Confident89Confident224 Ų22445.3 Ų45.385%0.84522%0.216SC*.SBendtrans-141.591.1177.5-67.4-175-178.8169.20.1106.5S1121S1121-R1123 PolarHBondContact O-N 3.35Å; S1121-R1123 PolarHBondContact OG-N 3.37Å; S1121-R1123 PolarHBondContact OG-O 2.9Å
1124P86.1Confident89.2Confident16 Ų1647.2 Ų47.210%0.10423%0.229CC..  trans-63.9155.717128.3-34.1000109.7T1126 P1127 D1351P1124-T1126 VanDerWaalsContact C-N 3.34Å; P1124-T1126 PolarHBondContact O-N 2.79Å; P1124-P1127 HydrophobicContact CG-CB 4.06Å; P1124-D1351 HydrophobicContact CG-CB 4.47Å
1125K82.1Confident89.2Confident152 Ų15249.8 Ų49.866%0.66126%0.257SS*.SBendtrans-68.8-32.6-179.1-78175.2176.8-174.50113.5T1108 E1116T1108-K1125 HydrophobicContact CG2-CB 3.86Å; T1108-K1125 HydrophobicContact CG2-CD 4.03Å; E1116-K1125 VanDerWaalsContact OE1-CB 3.31Å; E1116-K1125 WeakPolarHBondContact OE1-CB 3.42Å; E1116-K1125 WeakPolarHBondContact OE1-CD 3.41Å; E1116-K1125 WeakPolarHBondContact OE1-CG 3.28Å; E1116-K1125 PolarHBondContact OE1-N 2.9Å
1126T80.7Confident89.1Confident36 Ų3652.4 Ų52.422%0.22127%0.27CS..SBendtrans-129.674.9-179.2530000109.2T1108 P1124 S1128 N1350T1108-T1126 HydrophobicContact CG2-CG2 4.1Å; T1108-T1126 PolarHBondContact N-OG1 2.78Å; T1108-T1126 PolarHBondContact OG1-OG1 2.8Å; T1108-T1126 VanDerWaalsContact OG1-OG1 3.12Å; P1124-T1126 VanDerWaalsContact C-N 3.34Å; P1124-T1126 PolarHBondContact O-N 2.79Å; T1126-S1128 PolarHBondContact O-N 3.14Å; T1126-N1350 PolarHBondContact O-ND2 2.96Å
1127P87Confident89Confident32 Ų3251.7 Ų51.721%0.20827%0.267CS..  trans-64.1126.3174.227.5-32.4000109.3P1124 G1330 T1331 N1350P1124-P1127 HydrophobicContact CG-CB 4.06Å; P1127-G1330 PolarHBondContact O-N 3.39Å; P1127-T1331 HydrophobicContact CB-CG2 3.87Å; P1127-N1350 WeakPolarHBondContact CA-OD1 3.3Å
1128S86.4Confident88.8Confident32 Ų3251.6 Ų51.622%0.22427%0.267CS..BIsolated β-bridgetrans-152.1139.8-176.5-172.30000111.1T1126 T1328 N1350T1126-S1128 PolarHBondContact O-N 3.14Å; S1128-T1328 WeakPolarHBondContact CA-O 3.12Å; S1128-T1328 VanDerWaalsContact CB-O 3.25Å; S1128-T1328 WeakPolarHBondContact CB-O 3.16Å; S1128-T1328 PolarHBondContact OG-O 2.85Å; S1128-N1350 PolarHBondContact N-OD1 2.9Å; S1128-N1350 VanDerWaalsContact O-CG 3.24Å; S1128-N1350 PolarHBondContact O-N 2.74Å; S1128-N1350 PolarHBondContact O-OD1 3.42Å
1129M90Very high88.6Confident0 Ų060.8 Ų60.80%030%0.301CS..EExtended strand (participates in β ladder)trans-108.4143.1171.2-57179.946.900110.6I1131 E1327 T1328 T1331 C1332 L1333 V1336 T1347 V1348M1129-I1131 HydrophobicContact CB-CG1 4.11Å; M1129-I1131 HydrophobicContact CE-CD1 4.46Å; M1129-I1131 HydrophobicContact CE-CG1 4.15Å; M1129-E1327 CarbonylContact O-C 3.46Å; M1129-E1327 VanDerWaalsContact O-CA 3.32Å; M1129-E1327 WeakPolarHBondContact O-CA 3.34Å; M1129-T1328 HydrophobicContact CB-CG2 4.31Å; M1129-T1328 WeakPolarHBondContact CB-OG1 3.47Å; M1129-T1328 PolarHBondContact N-OG1 2.81Å; M1129-T1328 PolarHBondContact O-N 2.83Å; M1129-T1331 HydrophobicContact CG-CG2 3.77Å; M1129-C1332 PolarHBondContact SD-N 2.93Å; M1129-C1332 VanDerWaalsContact SD-N 3.36Å; M1129-L1333 HydrophobicContact CE-CB 4.21Å; M1129-L1333 HydrophobicContact CE-CD1 3.61Å; M1129-L1333 HydrophobicContact SD-CB 4.46Å; M1129-V1336 HydrophobicContact CE-CB 3.71Å; M1129-V1336 HydrophobicContact CE-CG1 3.66Å; M1129-V1336 HydrophobicContact CE-CG2 3.87Å; M1129-V1336 HydrophobicContact SD-CB 4.47Å; M1129-V1336 HydrophobicContact SD-CG2 4.01Å; M1129-T1347 HydrophobicContact CE-CG2 3.85Å; M1129-V1348 WeakPolarHBondContact CA-O 3.45Å
1130T89.4Confident88.5Confident29 Ų2961.5 Ų61.518%0.17831%0.305CS..EExtended strand (participates in β ladder)trans-102106.4165.9-62.40000108.3F1132 M1325 T1347 V1348T1130-F1132 HydrophobicContact CG2-CD2 4.35Å; T1130-F1132 HydrophobicContact CG2-CE2 3.64Å; T1130-F1132 HydrophobicContact CG2-CZ 3.87Å; T1130-M1325 HydrophobicContact CG2-CE 3.2Å; T1130-T1347 WeakPolarHBondContact O-CA 3.4Å; T1130-V1348 PolarHBondContact N-O 3.29Å; T1130-V1348 PolarHBondContact O-N 3.34Å
1131I92.3Very high88.3Confident0 Ų061.6 Ų61.60%031%0.308CS..EExtended strand (participates in β ladder)trans-103.2124.7-176.4-51170.9000108.7M1129 L1151 L1326 T1328 V1336 V1342 T1347M1129-I1131 HydrophobicContact CB-CG1 4.11Å; M1129-I1131 HydrophobicContact CE-CD1 4.46Å; M1129-I1131 HydrophobicContact CE-CG1 4.15Å; I1131-L1151 HydrophobicContact CD1-CD1 3.8Å; I1131-L1326 HydrophobicContact CB-CB 4.19Å; I1131-L1326 PolarHBondContact N-O 3.27Å; I1131-L1326 PolarHBondContact O-N 3.04Å; I1131-T1328 HydrophobicContact CD1-CG2 3.51Å; I1131-T1328 HydrophobicContact CG1-CG2 4.32Å; I1131-V1336 HydrophobicContact CD1-CG1 3.57Å; I1131-V1336 HydrophobicContact CD1-CG2 4.45Å; I1131-V1336 HydrophobicContact CG1-CG1 3.9Å; I1131-V1336 HydrophobicContact CG2-CG1 4.13Å; I1131-V1342 HydrophobicContact CG2-CB 4.41Å; I1131-V1342 HydrophobicContact CG2-CG1 3.65Å; I1131-V1342 HydrophobicContact CG2-CG2 4Å; I1131-T1347 HydrophobicContact CB-CG2 4.29Å; I1131-T1347 HydrophobicContact CG1-CG2 4.06Å; I1131-T1347 HydrophobicContact CG2-CG2 4.29Å
1132F92.2Very high88.1Confident26 Ų2663.9 Ų63.911%0.11431%0.314CS..EExtended strand (participates in β ladder)trans-98.4154172.5-65.1-90.4000109.9T1130 M1325 D1343 R1346 T1347T1130-F1132 HydrophobicContact CG2-CD2 4.35Å; T1130-F1132 HydrophobicContact CG2-CE2 3.64Å; T1130-F1132 HydrophobicContact CG2-CZ 3.87Å; F1132-M1325 HydrophobicContact CD1-CB 4.23Å; F1132-M1325 HydrophobicContact CE1-CB 4.45Å; F1132-M1325 HydrophobicContact CE1-CE 3.93Å; F1132-M1325 HydrophobicContact CE1-SD 4.09Å; F1132-M1325 HydrophobicContact CZ-CE 3.96Å; F1132-D1343 HydrophobicContact CB-CB 3.89Å; F1132-D1343 WeakPolarHBondContact O-CB 3.4Å; F1132-D1343 PolarHBondContact O-N 3.01Å; F1132-R1346 HydrophobicContact CB-CB 3.96Å; F1132-R1346 HydrophobicContact CD2-CB 3.5Å; F1132-R1346 VanDerWaalsContact CD2-CB 3.5Å; F1132-R1346 WeakPolarHBondContact CD2-O 3.24Å; F1132-R1346 HydrophobicContact CE2-CB 4.12Å; F1132-R1346 VanDerWaalsContact CE2-O 3.32Å; F1132-R1346 WeakPolarHBondContact CE2-O 3.27Å; F1132-R1346 HydrophobicContact CG-CB 3.81Å; F1132-T1347 PolarHBondContact N-OG1 2.89Å
1133L93.3Very high88.1Confident1 Ų161 Ų611%0.00530%0.299CS..BIsolated β-bridgetrans-109.9163.3-177.6-57.7-178.8000111.2A1137 A1138 T1144 V1147 L1326 D1341 R1346L1133-A1137 HydrophobicContact CB-CB 4.43Å; L1133-A1137 HydrophobicContact CD1-CB 4.4Å; L1133-A1138 HydrophobicContact CB-CB 4.01Å; L1133-T1144 HydrophobicContact CD1-CG2 3.78Å; L1133-V1147 HydrophobicContact CD2-CB 4.32Å; L1133-V1147 HydrophobicContact CD2-CG1 3.86Å; L1133-V1147 HydrophobicContact CD2-CG2 4.2Å; L1133-L1326 HydrophobicContact CD2-CD1 4.18Å; L1133-D1341 CarbonylContact C-O 3.48Å; L1133-D1341 WeakPolarHBondContact CA-O 3.42Å; L1133-R1346 PolarHBondContact O-NH2 3.34Å
1134T90.7Very high88.1Confident49 Ų4950.4 Ų50.430%0.30126%0.258SS..  trans-115.6167.3178.660.90000112.1Q1136 A1137 A1138 D1341 D1343T1134-Q1136 PolarHBondContact O-N 2.95Å; T1134-A1137 PolarHBondContact O-N 3.4Å; T1134-A1138 PolarHBondContact O-N 3.1Å; T1134-D1341 PolarHBondContact N-O 2.87Å; T1134-D1341 WeakPolarHBondContact OG1-CA 3.36Å; T1134-D1341 PolarHBondContact OG1-O 3.23Å; T1134-D1343 HydrophobicContact CG2-CB 3.73Å
1135G86.5Confident88.2Confident59 Ų5954.1 Ų54.161%0.60827%0.273SS*.THydrogen-bonded Turntrans55.9-133.317000000114.9
1136Q87.5Confident88.5Confident124 Ų12449.4 Ų49.458%0.57926%0.255SS*.THydrogen-bonded Turntrans-75.5-28.8179-71.4176.6-16.100112.6T1134 A1138 R1139 D1140 R1143T1134-Q1136 PolarHBondContact O-N 2.95Å; Q1136-A1138 VanDerWaalsContact C-N 3.28Å; Q1136-A1138 PolarHBondContact O-N 3.09Å; Q1136-R1139 PolarHBondContact O-N 2.7Å; Q1136-D1140 PolarHBondContact O-N 3.48Å; Q1136-R1143 VanDerWaalsContact OE1-CZ 3.28Å
1137A88.3Confident89Confident3 Ų347.8 Ų47.83%0.02525%0.245CC..THydrogen-bonded Turntrans-60.6-37.5179.100000112L1133 T1134 R1139 R1143 T1144 V1147 D1341L1133-A1137 HydrophobicContact CB-CB 4.43Å; L1133-A1137 HydrophobicContact CD1-CB 4.4Å; T1134-A1137 PolarHBondContact O-N 3.4Å; A1137-R1139 PolarHBondContact O-N 3.42Å; A1137-R1139 VanDerWaalsContact O-N 3.14Å; A1137-R1143 HydrophobicContact CB-CB 4.15Å; A1137-T1144 PolarHBondContact O-OG1 2.97Å; A1137-V1147 HydrophobicContact CB-CG2 4.34Å; A1137-D1341 HydrophobicContact CB-CB 4.13Å
1138A88.3Confident89.1Confident1 Ų147.5 Ų47.51%0.00824%0.243CC..THydrogen-bonded Turntrans-63-16.8175.100000115.2L1133 T1134 Q1136 E1323 W1324L1133-A1138 HydrophobicContact CB-CB 4.01Å; T1134-A1138 PolarHBondContact O-N 3.1Å; Q1136-A1138 VanDerWaalsContact C-N 3.28Å; Q1136-A1138 PolarHBondContact O-N 3.09Å; A1138-E1323 HydrophobicContact CB-CB 4.2Å; A1138-E1323 HydrophobicContact CB-CG 4.22Å; A1138-E1323 CarbonylContact O-C 3.58Å; A1138-E1323 WeakPolarHBondContact O-CA 3.45Å; A1138-W1324 PolarHBondContact O-N 3.29Å
1139R87.5Confident89.1Confident194 Ų19446.8 Ų46.873%0.73224%0.239SC*.THydrogen-bonded Turntrans-110.9-35.2-176.8-62.8-176.5-178.6179.60.2113Q1136 A1137 W1324Q1136-R1139 PolarHBondContact O-N 2.7Å; A1137-R1139 PolarHBondContact O-N 3.42Å; A1137-R1139 VanDerWaalsContact O-N 3.14Å; R1139-W1324 PolarHBondContact O-NE1 3.35Å
1140D89.7Confident89.1Confident69 Ų6950 Ų5037%0.36925%0.251SS..  trans-98.7130.1-177.4175.927.6000112.1Q1136 E1142 R1143 T1144Q1136-D1140 PolarHBondContact O-N 3.48Å; D1140-E1142 PolarHBondContact OD1-N 3.11Å; D1140-R1143 HydrophobicContact CB-CB 4.19Å; D1140-R1143 HydrophobicContact CB-CG 4.25Å; D1140-R1143 VanDerWaalsContact OD2-CG 3.23Å; D1140-R1143 WeakPolarHBondContact OD2-CG 3.4Å; D1140-R1143 PolarHBondContact OD2-N 3.3Å; D1140-T1144 WeakPolarHBondContact O-CB 3.46Å; D1140-T1144 PolarHBondContact O-N 2.98Å; D1140-T1144 PolarHBondContact O-OG1 2.96Å
1141A87.9Confident89.2Confident27 Ų2748.7 Ų48.722%0.22324%0.243CC..Hα-helixtrans-70.4-31.5179.100000112.5T1144 K1145 W1324A1141-T1144 WeakPolarHBondContact O-CB 3.48Å; A1141-T1144 PolarHBondContact O-N 2.88Å; A1141-K1145 WeakPolarHBondContact O-CG 3.37Å; A1141-K1145 PolarHBondContact O-N 2.81Å; A1141-K1145 VanDerWaalsContact O-N 3.07Å; A1141-W1324 HydrophobicContact CB-CZ2 3.78Å
1142E86.9Confident89.1Confident93 Ų9350.2 Ų50.244%0.43525%0.25SC..Hα-helixtrans-71.6-48.2178.2-72.5-54.9135.200111.4D1140 T1144 K1145 D1146D1140-E1142 PolarHBondContact OD1-N 3.11Å; E1142-T1144 PolarHBondContact O-N 3.38Å; E1142-K1145 WeakPolarHBondContact O-CB 3.47Å; E1142-K1145 PolarHBondContact O-N 3.09Å; E1142-K1145 IonicContact OE1-NZ 2.87Å; E1142-K1145 PolarHBondContact OE1-NZ 3.47Å; E1142-K1145 IonicContact OE2-NZ 3.33Å; E1142-D1146 PolarHBondContact O-N 3.15Å
1143R88.6Confident89Confident115 Ų11550.7 Ų50.743%0.43425%0.252SS..Hα-helixtrans-57.3-34.8169.7-69.5-78.1-172.883.918.1112.5Q1136 A1137 D1140 D1146 V1147Q1136-R1143 VanDerWaalsContact OE1-CZ 3.28Å; A1137-R1143 HydrophobicContact CB-CB 4.15Å; D1140-R1143 HydrophobicContact CB-CB 4.19Å; D1140-R1143 HydrophobicContact CB-CG 4.25Å; D1140-R1143 VanDerWaalsContact OD2-CG 3.23Å; D1140-R1143 WeakPolarHBondContact OD2-CG 3.4Å; D1140-R1143 PolarHBondContact OD2-N 3.3Å; R1143-D1146 WeakPolarHBondContact O-CB 3.3Å; R1143-D1146 PolarHBondContact O-N 3.24Å; R1143-V1147 PolarHBondContact O-N 3.38Å
1144T89.4Confident88.8Confident0 Ų050.8 Ų50.80%025%0.253CS..Hα-helixtrans-62.5-41.4173.6-63.30000111.9L1133 A1137 D1140 A1141 E1142 D1146 V1147 V1148 M1299 W1324 L1326L1133-T1144 HydrophobicContact CD1-CG2 3.78Å; A1137-T1144 PolarHBondContact O-OG1 2.97Å; D1140-T1144 WeakPolarHBondContact O-CB 3.46Å; D1140-T1144 PolarHBondContact O-N 2.98Å; D1140-T1144 PolarHBondContact O-OG1 2.96Å; A1141-T1144 WeakPolarHBondContact O-CB 3.48Å; A1141-T1144 PolarHBondContact O-N 2.88Å; E1142-T1144 PolarHBondContact O-N 3.38Å; T1144-D1146 VanDerWaalsContact C-N 3.25Å; T1144-D1146 PolarHBondContact O-N 2.71Å; T1144-V1147 WeakPolarHBondContact O-CB 3.42Å; T1144-V1147 PolarHBondContact O-N 2.83Å; T1144-V1147 VanDerWaalsContact O-N 3.09Å; T1144-V1148 WeakPolarHBondContact O-CG2 3.14Å; T1144-V1148 PolarHBondContact O-N 3.19Å; T1144-M1299 HydrophobicContact CG2-CB 4.45Å; T1144-M1299 HydrophobicContact CG2-CG 3.63Å; T1144-M1299 HydrophobicContact CG2-SD 3.36Å; T1144-M1299 WeakPolarHBondContact CG2-SD 3.48Å; T1144-W1324 HydrophobicContact CG2-CB 4.22Å; T1144-W1324 WeakPolarHBondContact OG1-CB 3.41Å; T1144-L1326 HydrophobicContact CG2-CD2 3.66Å
1145K87.5Confident88.7Confident94 Ų9449.4 Ų49.441%0.40925%0.245SC..Hα-helixtrans-61.7-32.3176.4-68.9168.5-173.5174.70112.6A1141 E1142 V1147 V1148 A1149A1141-K1145 WeakPolarHBondContact O-CG 3.37Å; A1141-K1145 PolarHBondContact O-N 2.81Å; A1141-K1145 VanDerWaalsContact O-N 3.07Å; E1142-K1145 WeakPolarHBondContact O-CB 3.47Å; E1142-K1145 PolarHBondContact O-N 3.09Å; E1142-K1145 IonicContact OE1-NZ 2.87Å; E1142-K1145 PolarHBondContact OE1-NZ 3.47Å; E1142-K1145 IonicContact OE2-NZ 3.33Å; K1145-V1147 VanDerWaalsContact C-N 3.3Å; K1145-V1147 PolarHBondContact O-N 2.89Å; K1145-V1148 WeakPolarHBondContact O-CB 3.35Å; K1145-V1148 PolarHBondContact O-N 3.07Å; K1145-A1149 PolarHBondContact O-N 2.73Å
1146D88.8Confident88.8Confident54 Ų5446.6 Ų46.629%0.28922%0.216SC..Hα-helixtrans-64.8-33.4174.6-61.3-35.2000112.4E1142 R1143 T1144 R1150 K1215E1142-D1146 PolarHBondContact O-N 3.15Å; R1143-D1146 WeakPolarHBondContact O-CB 3.3Å; R1143-D1146 PolarHBondContact O-N 3.24Å; T1144-D1146 VanDerWaalsContact C-N 3.25Å; T1144-D1146 PolarHBondContact O-N 2.71Å; D1146-R1150 WeakPolarHBondContact O-CG 3.46Å; D1146-R1150 PolarHBondContact O-N 3.48Å; D1146-R1150 PolarHBondContact O-NE 3.06Å; D1146-K1215 WeakPolarHBondContact OD1-CD 3.34Å; D1146-K1215 WeakPolarHBondContact OD1-CE 3.23Å; D1146-K1215 IonicContact OD1-NZ 3.26Å; D1146-K1215 PolarHBondContact OD1-NZ 2.67Å
1147V90.2Very high88.8Confident1 Ų147.4 Ų47.41%0.00621%0.213CC..Hα-helixtrans-72.8-41.7172.5-170.80000110.3L1133 A1137 R1143 T1144 K1145 A1149 R1150 L1151 L1326 D1341 V1342L1133-V1147 HydrophobicContact CD2-CB 4.32Å; L1133-V1147 HydrophobicContact CD2-CG1 3.86Å; L1133-V1147 HydrophobicContact CD2-CG2 4.2Å; A1137-V1147 HydrophobicContact CB-CG2 4.34Å; R1143-V1147 PolarHBondContact O-N 3.38Å; T1144-V1147 WeakPolarHBondContact O-CB 3.42Å; T1144-V1147 PolarHBondContact O-N 2.83Å; T1144-V1147 VanDerWaalsContact O-N 3.09Å; K1145-V1147 VanDerWaalsContact C-N 3.3Å; K1145-V1147 PolarHBondContact O-N 2.89Å; V1147-A1149 PolarHBondContact O-N 2.96Å; V1147-R1150 PolarHBondContact O-N 2.84Å; V1147-L1151 HydrophobicContact CG1-CD1 3.86Å; V1147-L1151 HydrophobicContact CG1-CG 4.35Å; V1147-L1151 WeakPolarHBondContact O-CG 3.3Å; V1147-L1151 PolarHBondContact O-N 3.16Å; V1147-L1151 VanDerWaalsContact O-N 3.1Å; V1147-L1326 HydrophobicContact CB-CD1 4.28Å; V1147-L1326 HydrophobicContact CG1-CD1 3.94Å; V1147-D1341 HydrophobicContact CG2-CB 4.11Å; V1147-V1342 HydrophobicContact CG1-CG2 4.28Å
1148V89.6Confident88.6Confident27 Ų2751.6 Ų51.616%0.16423%0.231CC..Hα-helixtrans-58-46.4176.6169.20000111.8T1144 K1145 R1150 L1151 E1152 V1297 L1326T1144-V1148 WeakPolarHBondContact O-CG2 3.14Å; T1144-V1148 PolarHBondContact O-N 3.19Å; K1145-V1148 WeakPolarHBondContact O-CB 3.35Å; K1145-V1148 PolarHBondContact O-N 3.07Å; V1148-R1150 VanDerWaalsContact C-N 3.34Å; V1148-R1150 PolarHBondContact O-N 2.9Å; V1148-L1151 PolarHBondContact O-N 2.69Å; V1148-E1152 PolarHBondContact O-N 2.89Å; V1148-V1297 HydrophobicContact CG1-CB 4.26Å; V1148-V1297 HydrophobicContact CG2-CG1 4.15Å; V1148-L1326 HydrophobicContact CG2-CD1 3.99Å; V1148-L1326 HydrophobicContact CG2-CD2 3.52Å; V1148-L1326 HydrophobicContact CG2-CG 4.41Å
1149A87Confident88.5Confident17 Ų1751.5 Ų51.514%0.1423%0.231CC..Hα-helixtrans-62.8-38.5179.100000112.6K1145 V1147 L1151K1145-A1149 PolarHBondContact O-N 2.73Å; V1147-A1149 PolarHBondContact O-N 2.96Å; A1149-L1151 VanDerWaalsContact C-N 3.33Å; A1149-L1151 PolarHBondContact O-N 3.32Å
1150R89.7Confident88.6Confident68 Ų6843.5 Ų43.526%0.25720%0.203SC..Hα-helixtrans-69.1-26.2175.6-76.1-174.7-72.2142.9-15.8114.2D1146 V1147 V1148 G1290 E1339 R1340 D1341D1146-R1150 WeakPolarHBondContact O-CG 3.46Å; D1146-R1150 PolarHBondContact O-N 3.48Å; D1146-R1150 PolarHBondContact O-NE 3.06Å; V1147-R1150 PolarHBondContact O-N 2.84Å; V1148-R1150 VanDerWaalsContact C-N 3.34Å; V1148-R1150 PolarHBondContact O-N 2.9Å; R1150-G1290 VanDerWaalsContact O-CA 3.24Å; R1150-G1290 WeakPolarHBondContact O-CA 3.47Å; R1150-E1339 IonicContact CZ-OE1 3.98Å; R1150-E1339 IonicContact NH1-OE1 2.75Å; R1150-E1339 PolarHBondContact NH1-OE1 2.8Å; R1150-R1340 PolarHBondContact NH1-O 3.4Å; R1150-R1340 PolarHBondContact NH2-O 2.83Å; R1150-D1341 IonicContact CZ-OD2 3.96Å; R1150-D1341 IonicContact NH2-OD2 2.9Å; R1150-D1341 PolarHBondContact NH2-OD2 3.12Å
1151L91.4Very high88.5Confident0 Ų045 Ų450%021%0.211CC..Hα-helixtrans-93.9-41.7-177.9-68.4176.5000113.4I1131 V1147 V1148 A1149 H1153 G1290 I1291 V1297 L1326 V1336 E1339I1131-L1151 HydrophobicContact CD1-CD1 3.8Å; V1147-L1151 HydrophobicContact CG1-CD1 3.86Å; V1147-L1151 HydrophobicContact CG1-CG 4.35Å; V1147-L1151 WeakPolarHBondContact O-CG 3.3Å; V1147-L1151 PolarHBondContact O-N 3.16Å; V1147-L1151 VanDerWaalsContact O-N 3.1Å; V1148-L1151 PolarHBondContact O-N 2.69Å; A1149-L1151 VanDerWaalsContact C-N 3.33Å; A1149-L1151 PolarHBondContact O-N 3.32Å; L1151-H1153 PolarHBondContact O-N 2.95Å; L1151-G1290 WeakPolarHBondContact O-CA 3.48Å; L1151-I1291 HydrophobicContact CD2-CD1 3.85Å; L1151-I1291 PolarHBondContact O-N 2.88Å; L1151-V1297 HydrophobicContact CB-CG2 4.04Å; L1151-L1326 HydrophobicContact CD1-CD1 3.96Å; L1151-V1336 HydrophobicContact CD2-CG2 4.2Å; L1151-E1339 HydrophobicContact CD2-CG 4.12Å
1152E90Very high88.6Confident32 Ų3245 Ų4515%0.1521%0.21CC..BIsolated β-bridgetrans-68.4118.8-176.6-174.3-171130.400112.1V1148 T1154 K1158 K1214 G1290 V1297V1148-E1152 PolarHBondContact O-N 2.89Å; E1152-T1154 PolarHBondContact O-N 2.97Å; E1152-T1154 VanDerWaalsContact O-N 3.16Å; E1152-T1154 PolarHBondContact O-OG1 3.28Å; E1152-K1158 IonicContact OE1-NZ 2.96Å; E1152-K1158 PolarHBondContact OE1-NZ 3.14Å; E1152-K1214 IonicContact OE1-NZ 3.78Å; E1152-K1214 PolarHBondContact OE1-NZ 2.89Å; E1152-G1290 WeakPolarHBondContact O-CA 3.38Å; E1152-V1297 HydrophobicContact CB-CG2 4.16Å
1153H90.6Very high88.8Confident36 Ų3642.4 Ų42.417%0.16720%0.2CC..  trans-56.6121.4176.4-17430.3000112.8L1151 T1155 K1158 I1291 P1292 I1294L1151-H1153 PolarHBondContact O-N 2.95Å; H1153-T1155 VanDerWaalsContact CE1-CG2 3.49Å; H1153-T1155 WeakPolarHBondContact CE1-CG2 3.46Å; H1153-T1155 WeakPolarHBondContact NE2-CG2 3.26Å; H1153-K1158 WeakPolarHBondContact O-CE 3.29Å; H1153-K1158 PolarHBondContact O-NZ 3.42Å; H1153-I1291 WeakPolarHBondContact CB-O 3.35Å; H1153-P1292 PolarHBondContact CD2-O 3.02Å; H1153-I1294 WeakPolarHBondContact CB-O 3.47Å; H1153-I1294 PolarHBondContact N-O 2.94Å
1154T88.2Confident88.9Confident3 Ų341.8 Ų41.82%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-124.8113.7179.4-58.60000110.3E1152 L1159 K1214 L1216 L1288 Q1289E1152-T1154 PolarHBondContact O-N 2.97Å; E1152-T1154 VanDerWaalsContact O-N 3.16Å; E1152-T1154 PolarHBondContact O-OG1 3.28Å; T1154-L1159 HydrophobicContact CG2-CD1 4.15Å; T1154-L1159 HydrophobicContact CG2-CG 4.25Å; T1154-K1214 HydrophobicContact CG2-CD 3.64Å; T1154-K1214 WeakPolarHBondContact OG1-CD 3.48Å; T1154-K1214 PolarHBondContact OG1-NZ 2.88Å; T1154-L1216 HydrophobicContact CG2-CD1 4.17Å; T1154-L1288 HydrophobicContact CG2-CB 4.4Å; T1154-L1288 WeakPolarHBondContact O-CB 3.47Å; T1154-L1288 PolarHBondContact O-N 2.79Å; T1154-Q1289 PolarHBondContact N-O 2.93Å
1155T89.2Confident88.9Confident20 Ų2044 Ų4412%0.12321%0.21CC..EExtended strand (participates in β ladder)trans-97.3164.1167.558.20000110.4H1153 R1157 K1158 I1286H1153-T1155 VanDerWaalsContact CE1-CG2 3.49Å; H1153-T1155 WeakPolarHBondContact CE1-CG2 3.46Å; H1153-T1155 WeakPolarHBondContact NE2-CG2 3.26Å; T1155-R1157 PolarHBondContact O-N 2.89Å; T1155-K1158 PolarHBondContact O-N 3.32Å; T1155-I1286 WeakPolarHBondContact CA-O 3.33Å
1156L88.5Confident88.9Confident0 Ų043 Ų430%020%0.204CC..G310 helixtrans-54.6-40.5176.7-162.870000111.8K1158 L1159 V1160 I1204 F1206 I1221 L1282 L1283 L1288L1156-K1158 PolarHBondContact O-N 2.84Å; L1156-K1158 VanDerWaalsContact O-N 3.1Å; L1156-L1159 PolarHBondContact O-N 3.41Å; L1156-V1160 HydrophobicContact CD1-CG2 4.43Å; L1156-V1160 HydrophobicContact CG-CG2 3.87Å; L1156-V1160 WeakPolarHBondContact O-CG2 3.24Å; L1156-V1160 PolarHBondContact O-N 2.67Å; L1156-V1160 VanDerWaalsContact O-N 3.13Å; L1156-I1204 HydrophobicContact CD2-CD1 4.17Å; L1156-F1206 HydrophobicContact CD1-CE1 3.65Å; L1156-F1206 HydrophobicContact CD1-CZ 3.88Å; L1156-I1221 HydrophobicContact CD1-CG2 3.7Å; L1156-L1282 VanDerWaalsContact CB-O 3.3Å; L1156-L1282 WeakPolarHBondContact CB-O 3.3Å; L1156-L1282 HydrophobicContact CD2-CB 3.94Å; L1156-L1282 WeakPolarHBondContact CD2-O 3.24Å; L1156-L1283 HydrophobicContact CD2-CD2 4.34Å; L1156-L1283 HydrophobicContact CG-CD2 4.42Å; L1156-L1288 HydrophobicContact CB-CD1 4.4Å; L1156-L1288 HydrophobicContact CD1-CD1 3.99Å
1157R88.5Confident88.8Confident142 Ų14246.6 Ų46.654%0.53621%0.214SC..G310 helixtrans-55.3-25.2174.5179.5-177.5-60.3-88.20.5115.3T1155 L1159 L1283T1155-R1157 PolarHBondContact O-N 2.89Å; R1157-L1159 VanDerWaalsContact C-N 3.27Å; R1157-L1159 PolarHBondContact O-N 2.82Å; R1157-L1283 HydrophobicContact CB-CB 4.37Å; R1157-L1283 HydrophobicContact CB-CD2 4.38Å; R1157-L1283 WeakPolarHBondContact CB-O 3.33Å; R1157-L1283 PolarHBondContact N-O 3.4Å
1158K83.7Confident88.6Confident90 Ų9046.6 Ų46.639%0.39121%0.214SC..G310 helixtrans-77.2-10175.4-78.7-168177.1178.30113.2E1152 H1153 T1155 L1156 T1295E1152-K1158 IonicContact OE1-NZ 2.96Å; E1152-K1158 PolarHBondContact OE1-NZ 3.14Å; H1153-K1158 WeakPolarHBondContact O-CE 3.29Å; H1153-K1158 PolarHBondContact O-NZ 3.42Å; T1155-K1158 PolarHBondContact O-N 3.32Å; L1156-K1158 PolarHBondContact O-N 2.84Å; L1156-K1158 VanDerWaalsContact O-N 3.1Å; K1158-T1295 PolarHBondContact NZ-O 3.23Å
1159L86.7Confident88.1Confident0 Ų048.5 Ų48.50%023%0.227CC..THydrogen-bonded Turntrans-117.7-31.7-173.4-60.7173.3000113.6T1154 L1156 R1157 F1206 T1207 M1211 K1214 L1216 I1221 L1288T1154-L1159 HydrophobicContact CG2-CD1 4.15Å; T1154-L1159 HydrophobicContact CG2-CG 4.25Å; L1156-L1159 PolarHBondContact O-N 3.41Å; R1157-L1159 VanDerWaalsContact C-N 3.27Å; R1157-L1159 PolarHBondContact O-N 2.82Å; L1159-F1206 HydrophobicContact CB-CD1 4.04Å; L1159-F1206 HydrophobicContact CB-CE1 4.47Å; L1159-T1207 WeakPolarHBondContact O-CB 3.38Å; L1159-T1207 PolarHBondContact O-N 2.99Å; L1159-T1207 PolarHBondContact O-OG1 2.81Å; L1159-M1211 HydrophobicContact CD1-SD 3.92Å; L1159-M1211 HydrophobicContact CD2-SD 4.34Å; L1159-K1214 HydrophobicContact CD2-CD 4.21Å; L1159-L1216 HydrophobicContact CD1-CD1 3.52Å; L1159-I1221 HydrophobicContact CD1-CD1 3.94Å; L1159-L1288 HydrophobicContact CD1-CD1 3.41Å; L1159-L1288 VanDerWaalsContact CD1-CD1 3.41Å
1160V88.3Confident87.8Confident26 Ų2650.9 Ų50.916%0.15824%0.238CC..EExtended strand (participates in β ladder)trans-70.6133.8-177.31740000111.7L1156 S1162 T1163 I1204 E1205 F1206 L1283L1156-V1160 HydrophobicContact CD1-CG2 4.43Å; L1156-V1160 HydrophobicContact CG-CG2 3.87Å; L1156-V1160 WeakPolarHBondContact O-CG2 3.24Å; L1156-V1160 PolarHBondContact O-N 2.67Å; L1156-V1160 VanDerWaalsContact O-N 3.13Å; V1160-S1162 WeakPolarHBondContact CG1-O 3.37Å; V1160-T1163 HydrophobicContact CG1-CG2 3.91Å; V1160-I1204 HydrophobicContact CB-CG2 4.22Å; V1160-I1204 HydrophobicContact CG1-CG2 3.8Å; V1160-I1204 HydrophobicContact CG2-CG2 3.36Å; V1160-E1205 CarbonylContact C-O 3.58Å; V1160-E1205 WeakPolarHBondContact CA-O 3.5Å; V1160-F1206 HydrophobicContact CG2-CD1 4.24Å; V1160-F1206 HydrophobicContact CG2-CE1 3.93Å; V1160-F1206 HydrophobicContact CG2-CZ 4.36Å; V1160-L1283 HydrophobicContact CB-CD2 4.27Å; V1160-L1283 HydrophobicContact CG1-CD2 4.44Å; V1160-L1283 HydrophobicContact CG2-CD2 4.1Å
1161N88.1Confident87.1Confident101 Ų10148.5 Ų48.554%0.5423%0.231SC..EExtended strand (participates in β ladder)trans-82.8-51.7171.9-167.632.6000110.4E1205 T1207N1161-E1205 HydrophobicContact CB-CB 4.48Å; N1161-E1205 HydrophobicContact CB-CG 4.49Å; N1161-E1205 PolarHBondContact N-O 2.87Å; N1161-E1205 PolarHBondContact ND2-OE1 2.89Å; N1161-T1207 HydrophobicContact CB-CG2 3.79Å
1162S90.1Very high86.5Confident27 Ų2753.7 Ų53.719%0.18926%0.255CS..EExtended strand (participates in β ladder)trans-155.3157.3-179.149.70000111.6V1160 Y1164 E1205V1160-S1162 WeakPolarHBondContact CG1-O 3.37Å; S1162-Y1164 VanDerWaalsContact OG-CE2 3.22Å; S1162-Y1164 WeakPolarHBondContact OG-CE2 3.46Å; S1162-Y1164 PolarHBondContact OG-OH 3.25Å; S1162-E1205 PolarHBondContact O-N 3.45Å
1163T91Very high86Confident38 Ų3855.9 Ų55.923%0.23327%0.268CS..EExtended strand (participates in β ladder)trans-123.4142.4174.445.60000109.3V1160 R1203 I1204 E1279 L1283V1160-T1163 HydrophobicContact CG1-CG2 3.91Å; T1163-R1203 WeakPolarHBondContact CA-O 3.41Å; T1163-I1204 HydrophobicContact CG2-CG1 4.21Å; T1163-I1204 HydrophobicContact CG2-CG2 4.37Å; T1163-E1279 WeakPolarHBondContact CB-OE1 3.43Å; T1163-E1279 HydrophobicContact CG2-CG 4.4Å; T1163-E1279 PolarHBondContact OG1-OE1 3.4Å; T1163-L1283 HydrophobicContact CG2-CD1 4.39Å
1164Y90Very high85.6Confident101 Ų10154.6 Ų54.640%0.39626%0.263SS..EExtended strand (participates in β ladder)trans-139.2132.7178.2-56.4-84.8000109.7S1162 Y1166 L1202 R1203S1162-Y1164 VanDerWaalsContact OG-CE2 3.22Å; S1162-Y1164 WeakPolarHBondContact OG-CE2 3.46Å; S1162-Y1164 PolarHBondContact OG-OH 3.25Å; Y1164-Y1166 HydrophobicContact CG-CE2 4.03Å; Y1164-L1202 CarbonylContact O-C 3.52Å; Y1164-R1203 PolarHBondContact N-O 2.85Å; Y1164-R1203 PolarHBondContact O-N 3.36Å
1165I89.5Confident85.5Confident47 Ų4758.9 Ų58.924%0.24129%0.288CS..EExtended strand (participates in β ladder)trans-99115.2169.2-62171.2000107.1W1200 M1201 L1202 L1275 R1276I1165-W1200 HydrophobicContact CG2-CE3 3.85Å; I1165-W1200 HydrophobicContact CG2-CZ3 4.27Å; I1165-M1201 WeakPolarHBondContact CA-O 3.41Å; I1165-L1202 HydrophobicContact CG1-CD1 3.98Å; I1165-L1275 HydrophobicContact CD1-CB 4.28Å; I1165-R1276 HydrophobicContact CD1-CG 3.61Å
1166Y87.8Confident85.2Confident74 Ų7458.4 Ų58.429%0.2929%0.286SS..EExtended strand (participates in β ladder)trans-104.7145175.5-74.5-85.4000110.2Y1164 V1176 M1201 R1203Y1164-Y1166 HydrophobicContact CG-CE2 4.03Å; Y1166-V1176 HydrophobicContact CD1-CG2 4.05Å; Y1166-V1176 HydrophobicContact CD2-CG2 4.08Å; Y1166-V1176 HydrophobicContact CE1-CG2 4Å; Y1166-V1176 HydrophobicContact CE2-CG2 4Å; Y1166-V1176 HydrophobicContact CG-CG2 4.1Å; Y1166-M1201 HydrophobicContact CD2-CE 4.12Å; Y1166-M1201 HydrophobicContact CG-CE 4.37Å; Y1166-M1201 PolarHBondContact N-O 3.09Å; Y1166-M1201 PolarHBondContact O-N 3.3Å; Y1166-R1203 HydrophobicContact CD2-CB 4.06Å; Y1166-R1203 HydrophobicContact CE2-CB 4.16Å
1167Y87.3Confident84.9Confident129 Ų12967 Ų6751%0.50633%0.326SS..EExtended strand (participates in β ladder)trans-90.2107.7160.2-176-99.8000107.5P1169 W1200Y1167-P1169 HydrophobicContact CD1-CB 4.43Å; Y1167-P1169 HydrophobicContact CD1-CG 4.24Å; Y1167-P1169 HydrophobicContact CE1-CB 3.75Å; Y1167-P1169 HydrophobicContact CE1-CG 3.87Å; Y1167-P1169 WeakPolarHBondContact O-CD 3.39Å; Y1167-W1200 AromaticContact CD2-CD2 3.97Å; Y1167-W1200 HydrophobicContact CD2-CD2 3.97Å; Y1167-W1200 AromaticContact CD2-CE2 3.87Å; Y1167-W1200 HydrophobicContact CD2-CE3 4.27Å; Y1167-W1200 HydrophobicContact CD2-CG 4.44Å; Y1167-W1200 HydrophobicContact CD2-CH2 4.44Å; Y1167-W1200 HydrophobicContact CD2-CZ2 4.13Å
1168D85.2Confident84.6Confident0 Ų065.8 Ų65.80%033%0.326CS..  trans-125.472.2-169.4-163.932.6000108.4D1170 T1174 V1175 S1199 M1201 R1247 R1249D1168-D1170 VanDerWaalsContact C-N 3.26Å; D1168-D1170 PolarHBondContact O-N 2.93Å; D1168-T1174 WeakPolarHBondContact OD1-CA 3.32Å; D1168-T1174 WeakPolarHBondContact OD1-CB 3.48Å; D1168-T1174 PolarHBondContact OD1-OG1 3.13Å; D1168-T1174 WeakPolarHBondContact OD2-CB 3.35Å; D1168-T1174 PolarHBondContact OD2-OG1 3.15Å; D1168-V1175 PolarHBondContact OD1-N 3.44Å; D1168-S1199 CarbonylContact C-O 3.58Å; D1168-S1199 PolarHBondContact N-O 3.41Å; D1168-M1201 HydrophobicContact CB-CB 4.18Å; D1168-M1201 HydrophobicContact CB-CE 4.42Å; D1168-R1247 IonicContact OD2-CZ 2.94Å; D1168-R1247 IonicContact OD2-NH1 2.64Å; D1168-R1247 PolarHBondContact OD2-NH1 2.98Å; D1168-R1249 VanDerWaalsContact CB-NH2 3.34Å; D1168-R1249 VanDerWaalsContact O-CZ 3.29Å; D1168-R1249 PolarHBondContact O-NH1 2.77Å; D1168-R1249 PolarHBondContact O-NH2 3.16Å; D1168-R1249 IonicContact OD2-CZ 2.72Å; D1168-R1249 IonicContact OD2-NH2 3.8Å; D1168-R1249 PolarHBondContact OD2-NH2 2.92Å
1169P79.7Confident84.7Confident68 Ų6861.6 Ų61.644%0.44231%0.308SS..  trans-68.2-19.7-160.627.4-36.2000114.7Y1167Y1167-P1169 HydrophobicContact CD1-CB 4.43Å; Y1167-P1169 HydrophobicContact CD1-CG 4.24Å; Y1167-P1169 HydrophobicContact CE1-CB 3.75Å; Y1167-P1169 HydrophobicContact CE1-CG 3.87Å; Y1167-P1169 WeakPolarHBondContact O-CD 3.39Å
1170D80.2Confident84.5Confident67 Ų6768.3 Ų68.336%0.35833%0.333SS..  trans-106.7116.3171.5-176.1-20.8000108.3D1168 Q1172 N1173D1168-D1170 VanDerWaalsContact C-N 3.26Å; D1168-D1170 PolarHBondContact O-N 2.93Å; D1170-Q1172 VanDerWaalsContact C-N 3.28Å; D1170-Q1172 PolarHBondContact O-N 3.12Å; D1170-Q1172 WeakPolarHBondContact OD1-CA 3.37Å; D1170-Q1172 WeakPolarHBondContact OD1-CB 3.48Å; D1170-Q1172 PolarHBondContact OD1-N 3.38Å; D1170-N1173 PolarHBondContact OD1-N 2.83Å; D1170-N1173 VanDerWaalsContact OD1-N 3.12Å; D1170-N1173 WeakPolarHBondContact OD2-CB 3.31Å
1171P75.5Confident84.1Confident17 Ų1774.7 Ų74.711%0.1136%0.362CS..SBendtrans-63.1-30.1175.8-23.634.7000114.3Y1187 V1194 I1197P1171-Y1187 HydrophobicContact CB-CE1 4.21Å; P1171-Y1187 HydrophobicContact CB-CE2 4.41Å; P1171-Y1187 WeakPolarHBondContact O-CE2 3.37Å; P1171-V1194 HydrophobicContact CB-CG1 3.98Å; P1171-V1194 HydrophobicContact CG-CG1 4.01Å; P1171-I1197 HydrophobicContact CB-CD1 4.1Å; P1171-I1197 HydrophobicContact CG-CB 4.42Å; P1171-I1197 HydrophobicContact CG-CD1 4.15Å
1172Q77.9Confident83.8Confident109 Ų10971.2 Ų71.251%0.50934%0.341SS..SBendtrans-86.8-39.9-174.4-60.2-176.8-10.300112D1170 Y1187D1170-Q1172 VanDerWaalsContact C-N 3.28Å; D1170-Q1172 PolarHBondContact O-N 3.12Å; D1170-Q1172 WeakPolarHBondContact OD1-CA 3.37Å; D1170-Q1172 WeakPolarHBondContact OD1-CB 3.48Å; D1170-Q1172 PolarHBondContact OD1-N 3.38Å; Q1172-Y1187 HydrophobicContact CG-CG 4.48Å
1173N79.9Confident83.4Confident79 Ų7970 Ų7042%0.42233%0.333SS..SBendtrans-115.483.6-176.9-175.149.2000111.5D1170 R1180D1170-N1173 PolarHBondContact OD1-N 2.83Å; D1170-N1173 VanDerWaalsContact OD1-N 3.12Å; D1170-N1173 WeakPolarHBondContact OD2-CB 3.31Å; N1173-R1180 VanDerWaalsContact OD1-CZ 3.27Å; N1173-R1180 PolarHBondContact OD1-NE 2.87Å; N1173-R1180 PolarHBondContact OD1-NH2 2.96Å
1174T82.1Confident82.8Confident9 Ų971 Ų716%0.05534%0.341CS..  trans-69.6148.7-171.5-174.10000115.2D1168 V1176 D1179 R1180 V1183 R1247D1168-T1174 WeakPolarHBondContact OD1-CA 3.32Å; D1168-T1174 WeakPolarHBondContact OD1-CB 3.48Å; D1168-T1174 PolarHBondContact OD1-OG1 3.13Å; D1168-T1174 WeakPolarHBondContact OD2-CB 3.35Å; D1168-T1174 PolarHBondContact OD2-OG1 3.15Å; T1174-V1176 VanDerWaalsContact C-N 3.26Å; T1174-V1176 WeakPolarHBondContact CG2-O 3.37Å; T1174-V1176 PolarHBondContact O-N 3.29Å; T1174-V1176 PolarHBondContact OG1-N 3.12Å; T1174-D1179 HydrophobicContact CG2-CB 4.32Å; T1174-R1180 HydrophobicContact CG2-CB 4.13Å; T1174-R1180 HydrophobicContact CG2-CG 4.45Å; T1174-V1183 HydrophobicContact CG2-CB 4.38Å; T1174-V1183 HydrophobicContact CG2-CG1 4.42Å; T1174-V1183 HydrophobicContact CG2-CG2 4.37Å; T1174-R1247 PolarHBondContact OG1-NH1 3.22Å; T1174-R1247 PolarHBondContact OG1-NH2 3.26Å
1175V85.6Confident82.3Confident92 Ų9270.1 Ų70.156%0.55835%0.346SS*.SBendtrans-66.9-22171.2-179.60000112.7D1168 E1177D1168-V1175 PolarHBondContact OD1-N 3.44Å; V1175-E1177 PolarHBondContact O-N 3.36Å
1176V84.2Confident81.7Confident11 Ų1172.1 Ų72.17%0.06735%0.351CS..  trans-90103.5-178.3-173.80000110.6Y1166 T1174 E1178 D1179 R1180 M1201Y1166-V1176 HydrophobicContact CD1-CG2 4.05Å; Y1166-V1176 HydrophobicContact CD2-CG2 4.08Å; Y1166-V1176 HydrophobicContact CE1-CG2 4Å; Y1166-V1176 HydrophobicContact CE2-CG2 4Å; Y1166-V1176 HydrophobicContact CG-CG2 4.1Å; T1174-V1176 VanDerWaalsContact C-N 3.26Å; T1174-V1176 WeakPolarHBondContact CG2-O 3.37Å; T1174-V1176 PolarHBondContact O-N 3.29Å; T1174-V1176 PolarHBondContact OG1-N 3.12Å; V1176-E1178 VanDerWaalsContact C-N 3.28Å; V1176-E1178 HydrophobicContact CG1-CB 4.32Å; V1176-E1178 PolarHBondContact O-N 3.23Å; V1176-D1179 HydrophobicContact CB-CB 4.37Å; V1176-D1179 HydrophobicContact CG1-CB 4.38Å; V1176-D1179 PolarHBondContact O-N 3.44Å; V1176-R1180 PolarHBondContact O-N 3.26Å; V1176-M1201 HydrophobicContact CG2-CE 4.3Å
1177E82.2Confident81.2Confident181 Ų18169.4 Ų69.485%0.84634%0.341SS*.G310 helixtrans-52.4-41.4-177.6-61.9-175.1161.300113.7V1175 D1179 R1180V1175-E1177 PolarHBondContact O-N 3.36Å; E1177-D1179 PolarHBondContact O-N 3.3Å; E1177-R1180 PolarHBondContact O-N 3.29Å
1178E81.7Confident80.6Confident115 Ų11570 Ų7054%0.53735%0.348SS..G310 helixtrans-58.3-27.7178.8-65-171.5153.600113.8V1176 R1203 K1243V1176-E1178 VanDerWaalsContact C-N 3.28Å; V1176-E1178 HydrophobicContact CG1-CB 4.32Å; V1176-E1178 PolarHBondContact O-N 3.23Å; E1178-R1203 IonicContact OE2-CZ 3.72Å; E1178-R1203 IonicContact OE2-NH1 2.83Å; E1178-R1203 PolarHBondContact OE2-NH1 3.3Å; E1178-R1203 IonicContact OE2-NH2 3.24Å; E1178-R1203 PolarHBondContact OE2-NH2 3.1Å; E1178-K1243 IonicContact OE1-NZ 3.37Å; E1178-K1243 PolarHBondContact OE1-NZ 3.21Å; E1178-K1243 IonicContact OE2-NZ 3.96Å; E1178-K1243 PolarHBondContact OE2-NZ 3.2Å
1179D85.7Confident80.1Confident3 Ų377 Ų772%0.01639%0.385CS..G310 helixtrans-101.8-10.7-170.2-65.2-15.1000113.2T1174 V1176 E1177 E1181 W1182 V1183 R1203 R1247T1174-D1179 HydrophobicContact CG2-CB 4.32Å; V1176-D1179 HydrophobicContact CB-CB 4.37Å; V1176-D1179 HydrophobicContact CG1-CB 4.38Å; V1176-D1179 PolarHBondContact O-N 3.44Å; E1177-D1179 PolarHBondContact O-N 3.3Å; D1179-E1181 VanDerWaalsContact C-N 3.33Å; D1179-E1181 PolarHBondContact O-N 3.43Å; D1179-W1182 VanDerWaalsContact CA-NE1 3.31Å; D1179-W1182 HydrophobicContact CB-CZ2 4.14Å; D1179-W1182 PolarHBondContact O-N 3.05Å; D1179-W1182 PolarHBondContact OD1-NE1 2.81Å; D1179-V1183 HydrophobicContact CB-CG2 4.02Å; D1179-V1183 WeakPolarHBondContact O-CB 3.43Å; D1179-V1183 WeakPolarHBondContact O-CG2 3.41Å; D1179-V1183 PolarHBondContact O-N 3.06Å; D1179-R1203 IonicContact OD1-CZ 3.08Å; D1179-R1203 IonicContact OD1-NE 3.23Å; D1179-R1203 PolarHBondContact OD1-NE 3.43Å; D1179-R1203 IonicContact OD1-NH2 2.97Å; D1179-R1203 PolarHBondContact OD1-NH2 3.38Å; D1179-R1203 IonicContact OD2-CZ 3.23Å; D1179-R1203 IonicContact OD2-NE 3.74Å; D1179-R1203 PolarHBondContact OD2-NE 3.08Å; D1179-R1203 IonicContact OD2-NH2 2.8Å; D1179-R1247 VanDerWaalsContact CB-NH2 3.25Å; D1179-R1247 IonicContact OD2-CZ 3.07Å; D1179-R1247 VanDerWaalsContact OD2-CZ 3.26Å; D1179-R1247 IonicContact OD2-NE 3.86Å; D1179-R1247 PolarHBondContact OD2-NE 3.24Å; D1179-R1247 IonicContact OD2-NH2 2.67Å; D1179-R1247 PolarHBondContact OD2-NH2 3.03Å
1180R83.1Confident79.4Confident140 Ų14076.7 Ų76.753%0.52838%0.382SS..Hα-helixtrans-60.7-38.5-164.7-167.4178.6-172.5-165.8-0.2114.1N1173 T1174 V1176 E1177 S1184N1173-R1180 VanDerWaalsContact OD1-CZ 3.27Å; N1173-R1180 PolarHBondContact OD1-NE 2.87Å; N1173-R1180 PolarHBondContact OD1-NH2 2.96Å; T1174-R1180 HydrophobicContact CG2-CB 4.13Å; T1174-R1180 HydrophobicContact CG2-CG 4.45Å; V1176-R1180 PolarHBondContact O-N 3.26Å; E1177-R1180 PolarHBondContact O-N 3.29Å; R1180-S1184 PolarHBondContact O-N 2.86Å; R1180-S1184 VanDerWaalsContact O-N 3.09Å; R1180-S1184 PolarHBondContact O-OG 3.07Å
1181E79Confident78.9Confident160 Ų16081.1 Ų81.175%0.74841%0.406SS*.Hα-helixtrans-61.6-61.3178.8-174.4175-162.600110.9D1179 V1183 S1184 T1185D1179-E1181 VanDerWaalsContact C-N 3.33Å; D1179-E1181 PolarHBondContact O-N 3.43Å; E1181-V1183 VanDerWaalsContact C-N 3.33Å; E1181-V1183 PolarHBondContact O-N 2.77Å; E1181-S1184 PolarHBondContact O-N 2.92Å; E1181-S1184 PolarHBondContact O-OG 3.14Å; E1181-T1185 PolarHBondContact O-N 2.98Å; E1181-T1185 PolarHBondContact O-OG1 3.18Å
1182W83.2Confident78.6Confident28 Ų2882.4 Ų82.411%0.10641%0.41CS..Hα-helixtrans-69.5-29-176.772.5-99.1000113.4D1179 T1185 Y1186 H1236 P1238 L1242 R1247D1179-W1182 VanDerWaalsContact CA-NE1 3.31Å; D1179-W1182 HydrophobicContact CB-CZ2 4.14Å; D1179-W1182 PolarHBondContact O-N 3.05Å; D1179-W1182 PolarHBondContact OD1-NE1 2.81Å; W1182-T1185 PolarHBondContact O-N 3.38Å; W1182-Y1186 PolarHBondContact O-N 3.11Å; W1182-H1236 HydrophobicContact CH2-CB 3.99Å; W1182-H1236 HydrophobicContact CZ3-CB 3.87Å; W1182-P1238 HydrophobicContact CD2-CB 3.8Å; W1182-P1238 HydrophobicContact CE3-CB 4.21Å; W1182-P1238 HydrophobicContact CG-CB 3.95Å; W1182-P1238 HydrophobicContact CZ2-CB 4.45Å; W1182-P1238 HydrophobicContact CZ2-CG 4.47Å; W1182-L1242 HydrophobicContact CB-CD1 4.07Å; W1182-L1242 HydrophobicContact CG-CD1 4.38Å; W1182-R1247 HydrophobicContact CH2-CG 3.92Å; W1182-R1247 HydrophobicContact CZ2-CG 4.12Å
1183V81Confident78.1Confident3 Ų381.8 Ų81.82%0.01841%0.411CS..Hα-helixtrans-64.8-42172.6169.80000110.9T1174 D1179 E1181 T1185 Y1186 Y1187T1174-V1183 HydrophobicContact CG2-CB 4.38Å; T1174-V1183 HydrophobicContact CG2-CG1 4.42Å; T1174-V1183 HydrophobicContact CG2-CG2 4.37Å; D1179-V1183 HydrophobicContact CB-CG2 4.02Å; D1179-V1183 WeakPolarHBondContact O-CB 3.43Å; D1179-V1183 WeakPolarHBondContact O-CG2 3.41Å; D1179-V1183 PolarHBondContact O-N 3.06Å; E1181-V1183 VanDerWaalsContact C-N 3.33Å; E1181-V1183 PolarHBondContact O-N 2.77Å; V1183-T1185 VanDerWaalsContact C-N 3.34Å; V1183-T1185 PolarHBondContact O-N 2.98Å; V1183-Y1186 PolarHBondContact O-N 3.46Å; V1183-Y1187 HydrophobicContact CG1-CD2 4Å; V1183-Y1187 HydrophobicContact CG1-CE2 4.16Å; V1183-Y1187 WeakPolarHBondContact O-CD2 3.22Å; V1183-Y1187 PolarHBondContact O-N 3.35Å
1184S78.3Confident77.5Confident57 Ų5779.4 Ų79.440%0.39940%0.398SS..Hα-helixtrans-59.3-45.517667.70000111.7R1180 E1181 Y1186 Y1187 E1188R1180-S1184 PolarHBondContact O-N 2.86Å; R1180-S1184 VanDerWaalsContact O-N 3.09Å; R1180-S1184 PolarHBondContact O-OG 3.07Å; E1181-S1184 PolarHBondContact O-N 2.92Å; E1181-S1184 PolarHBondContact O-OG 3.14Å; S1184-Y1186 PolarHBondContact O-N 3.32Å; S1184-Y1187 PolarHBondContact O-N 3.02Å; S1184-E1188 PolarHBondContact O-N 2.77Å
1185T79.2Confident76.9Confident84 Ų8486 Ų8652%0.51543%0.433SS..Hα-helixtrans-60.6-41.1175.2-48.20000112.8E1181 W1182 V1183 Y1187 E1188E1181-T1185 PolarHBondContact O-N 2.98Å; E1181-T1185 PolarHBondContact O-OG1 3.18Å; W1182-T1185 PolarHBondContact O-N 3.38Å; V1183-T1185 VanDerWaalsContact C-N 3.34Å; V1183-T1185 PolarHBondContact O-N 2.98Å; T1185-Y1187 PolarHBondContact O-N 2.94Å; T1185-E1188 PolarHBondContact O-N 3.36Å
1186Y77.2Confident76.2Confident88 Ų8882.4 Ų82.435%0.34541%0.413SS..Hα-helixtrans-61.5-32.7179-167.6-80.2000112.7W1182 V1183 S1184 F1192 H1236W1182-Y1186 PolarHBondContact O-N 3.11Å; V1183-Y1186 PolarHBondContact O-N 3.46Å; S1184-Y1186 PolarHBondContact O-N 3.32Å; Y1186-F1192 HydrophobicContact CE1-CE1 4.05Å; Y1186-F1192 AromaticContact CE1-CZ 3.92Å; Y1186-F1192 HydrophobicContact CE1-CZ 3.92Å; Y1186-H1236 AromaticContact CD1-ND1 3.5Å; Y1186-H1236 AromaticContact CE1-CE1 3.81Å; Y1186-H1236 AromaticContact CE1-ND1 3.12Å; Y1186-H1236 WeakPolarHBondContact CE1-ND1 3.3Å; Y1186-H1236 HydrophobicContact CE2-CB 4.42Å; Y1186-H1236 AromaticContact CZ-ND1 3.51Å
1187Y77.8Confident75.9Confident18 Ų1882.6 Ų82.67%0.07141%0.414CS..THydrogen-bonded Turntrans-97.66-178.6-75.6-79.7000114.6P1171 Q1172 V1183 S1184 T1185 L1189 P1190 F1192 V1194 I1197 H1236P1171-Y1187 HydrophobicContact CB-CE1 4.21Å; P1171-Y1187 HydrophobicContact CB-CE2 4.41Å; P1171-Y1187 WeakPolarHBondContact O-CE2 3.37Å; Q1172-Y1187 HydrophobicContact CG-CG 4.48Å; V1183-Y1187 HydrophobicContact CG1-CD2 4Å; V1183-Y1187 HydrophobicContact CG1-CE2 4.16Å; V1183-Y1187 WeakPolarHBondContact O-CD2 3.22Å; V1183-Y1187 PolarHBondContact O-N 3.35Å; S1184-Y1187 PolarHBondContact O-N 3.02Å; T1185-Y1187 PolarHBondContact O-N 2.94Å; Y1187-L1189 PolarHBondContact O-N 2.77Å; Y1187-P1190 HydrophobicContact CD1-CB 4.47Å; Y1187-F1192 AromaticContact CE1-CE2 3.8Å; Y1187-F1192 HydrophobicContact CE1-CE2 3.8Å; Y1187-F1192 AromaticContact CE1-CZ 3.8Å; Y1187-F1192 HydrophobicContact CE1-CZ 3.8Å; Y1187-V1194 HydrophobicContact CD1-CG2 4.25Å; Y1187-V1194 HydrophobicContact CE1-CG1 4.36Å; Y1187-V1194 HydrophobicContact CE1-CG2 4.36Å; Y1187-I1197 HydrophobicContact CE1-CD1 4.13Å; Y1187-H1236 AromaticContact CZ-CE1 3.71Å; Y1187-H1236 PolarHBondContact OH-CE1 2.84Å; Y1187-H1236 PolarHBondContact OH-NE2 2.83Å
1188E74.4Confident75.8Confident141 Ų14174 Ų7466%0.65937%0.374SS*.SBendtrans-65.5-26.9170.9-78178.2-170.100112.5S1184 T1185S1184-E1188 PolarHBondContact O-N 2.77Å; T1185-E1188 PolarHBondContact O-N 3.36Å
1189L74.9Confident75.8Confident148 Ų14870.5 Ų70.578%0.77536%0.362SS*.SBendtrans-136.777.9178.8-68.3169.5000110.2Y1187 D1191Y1187-L1189 PolarHBondContact O-N 2.77Å; L1189-D1191 PolarHBondContact O-N 2.81Å
1190P65Low75.8Confident60 Ų6074 Ų7439%0.3938%0.375SS..  trans-79.3118.4-176.730.5-32.2000112Y1187 F1192 V1194Y1187-P1190 HydrophobicContact CD1-CB 4.47Å; P1190-F1192 PolarHBondContact O-N 2.97Å; P1190-V1194 HydrophobicContact CB-CG2 3.79Å; P1190-V1194 HydrophobicContact CG-CG2 4.18Å
1191D69Low76Confident160 Ų16067.4 Ų67.486%0.85635%0.35SS*.SBendtrans-79.44.4176.8-69.5-29.5000114L1189L1189-D1191 PolarHBondContact O-N 2.81Å
1192F68.4Low76.5Confident45 Ų4559.8 Ų59.820%0.19732%0.315CS..SBendtrans-146.8159-170.949.3-82.8000111.4Y1186 Y1187 P1190 V1194 I1197 I1234 M1251Y1186-F1192 HydrophobicContact CE1-CE1 4.05Å; Y1186-F1192 AromaticContact CE1-CZ 3.92Å; Y1186-F1192 HydrophobicContact CE1-CZ 3.92Å; Y1187-F1192 AromaticContact CE1-CE2 3.8Å; Y1187-F1192 HydrophobicContact CE1-CE2 3.8Å; Y1187-F1192 AromaticContact CE1-CZ 3.8Å; Y1187-F1192 HydrophobicContact CE1-CZ 3.8Å; P1190-F1192 PolarHBondContact O-N 2.97Å; F1192-V1194 PolarHBondContact O-N 3.21Å; F1192-V1194 VanDerWaalsContact O-N 3.1Å; F1192-I1197 HydrophobicContact CD2-CD1 4.09Å; F1192-I1197 HydrophobicContact CE2-CD1 3.64Å; F1192-I1197 HydrophobicContact CE2-CG1 4.45Å; F1192-I1234 HydrophobicContact CD2-CD1 3.71Å; F1192-I1234 HydrophobicContact CE2-CD1 3.77Å; F1192-I1234 HydrophobicContact CG-CD1 4.26Å; F1192-I1234 HydrophobicContact CZ-CD1 4.4Å; F1192-M1251 HydrophobicContact CB-CE 4.02Å
1193D68.1Low76.9Confident96 Ų9658.7 Ų58.751%0.51331%0.31SS..  trans-69.2109.1178.2-171.5-5.9000110.6N1195 A1196D1193-N1195 PolarHBondContact O-N 2.88Å; D1193-N1195 VanDerWaalsContact O-N 3.16Å; D1193-N1195 WeakPolarHBondContact OD1-CB 3.45Å; D1193-N1195 PolarHBondContact OD1-N 2.89Å; D1193-N1195 PolarHBondContact OD1-ND2 3Å; D1193-A1196 HydrophobicContact CB-CB 4.27Å; D1193-A1196 PolarHBondContact O-N 3.35Å
1194V68.4Low77.3Confident28 Ų2858.6 Ų58.617%0.1731%0.31CS..G310 helixtrans-62-22.8-179-174.40000112.1P1171 Y1187 P1190 F1192 A1196 I1197P1171-V1194 HydrophobicContact CB-CG1 3.98Å; P1171-V1194 HydrophobicContact CG-CG1 4.01Å; Y1187-V1194 HydrophobicContact CD1-CG2 4.25Å; Y1187-V1194 HydrophobicContact CE1-CG1 4.36Å; Y1187-V1194 HydrophobicContact CE1-CG2 4.36Å; P1190-V1194 HydrophobicContact CB-CG2 3.79Å; P1190-V1194 HydrophobicContact CG-CG2 4.18Å; F1192-V1194 PolarHBondContact O-N 3.21Å; F1192-V1194 VanDerWaalsContact O-N 3.1Å; V1194-A1196 VanDerWaalsContact C-N 3.34Å; V1194-I1197 HydrophobicContact CB-CD1 4.48Å; V1194-I1197 HydrophobicContact CG1-CD1 4.18Å; V1194-I1197 WeakPolarHBondContact O-CD1 3.43Å; V1194-I1197 WeakPolarHBondContact O-CG1 3.33Å
1195N68.9Low77.9Confident147 Ų14757.2 Ų57.279%0.78630%0.297SS*.G310 helixtrans-78.7-17178.5-52.2-75.5000113.2D1193 I1197D1193-N1195 PolarHBondContact O-N 2.88Å; D1193-N1195 VanDerWaalsContact O-N 3.16Å; D1193-N1195 WeakPolarHBondContact OD1-CB 3.45Å; D1193-N1195 PolarHBondContact OD1-N 2.89Å; D1193-N1195 PolarHBondContact OD1-ND2 3Å; N1195-I1197 VanDerWaalsContact C-N 3.26Å; N1195-I1197 PolarHBondContact O-N 3.1Å
1196A71.1Confident78.4Confident17 Ų1753.7 Ų53.714%0.1428%0.275CS..G310 helixtrans-86.210.7-179.700000113.1D1193 V1194 M1251 N1252D1193-A1196 HydrophobicContact CB-CB 4.27Å; D1193-A1196 PolarHBondContact O-N 3.35Å; V1194-A1196 VanDerWaalsContact C-N 3.34Å; A1196-M1251 HydrophobicContact CB-SD 4.21Å; A1196-N1252 WeakPolarHBondContact O-CA 3.42Å; A1196-N1252 WeakPolarHBondContact O-CB 3.31Å; A1196-N1252 PolarHBondContact O-N 2.97Å
1197I77Confident78.8Confident15 Ų1551.7 Ų51.78%0.07727%0.272CS..EExtended strand (participates in β ladder)trans-99.8133.7-172.5-50.4173.6000110.3P1171 Y1187 F1192 V1194 N1195 R1249P1171-I1197 HydrophobicContact CB-CD1 4.1Å; P1171-I1197 HydrophobicContact CG-CB 4.42Å; P1171-I1197 HydrophobicContact CG-CD1 4.15Å; Y1187-I1197 HydrophobicContact CE1-CD1 4.13Å; F1192-I1197 HydrophobicContact CD2-CD1 4.09Å; F1192-I1197 HydrophobicContact CE2-CD1 3.64Å; F1192-I1197 HydrophobicContact CE2-CG1 4.45Å; V1194-I1197 HydrophobicContact CB-CD1 4.48Å; V1194-I1197 HydrophobicContact CG1-CD1 4.18Å; V1194-I1197 WeakPolarHBondContact O-CD1 3.43Å; V1194-I1197 WeakPolarHBondContact O-CG1 3.33Å; N1195-I1197 VanDerWaalsContact C-N 3.26Å; N1195-I1197 PolarHBondContact O-N 3.1Å; I1197-R1249 HydrophobicContact CG2-CB 3.74Å; I1197-R1249 HydrophobicContact CG2-CG 4.19Å
1198S79.6Confident79.2Confident2 Ų257.2 Ų57.21%0.01429%0.292CS..EExtended strand (participates in β ladder)trans-62.1143.1172.1179.80000112.2W1200 R1249 I1250 D1271S1198-W1200 PolarHBondContact O-N 2.84Å; S1198-W1200 PolarHBondContact OG-N 3.2Å; S1198-R1249 PolarHBondContact O-NH1 2.96Å; S1198-I1250 PolarHBondContact N-O 3.04Å; S1198-D1271 PolarHBondContact OG-OD2 3.43Å
1199S82.7Confident79.5Confident40 Ų4058.3 Ų58.328%0.2830%0.295SS..EExtended strand (participates in β ladder)trans-65.7-15.5172-55.70000113.1D1168D1168-S1199 CarbonylContact C-O 3.58Å; D1168-S1199 PolarHBondContact N-O 3.41Å
1200W86.2Confident79.7Confident78 Ų7852.1 Ų52.130%0.29527%0.267SS..EExtended strand (participates in β ladder)trans-93.1137.4177.4-64.196000111.7I1165 Y1167 S1198 D1271 D1272 L1275I1165-W1200 HydrophobicContact CG2-CE3 3.85Å; I1165-W1200 HydrophobicContact CG2-CZ3 4.27Å; Y1167-W1200 AromaticContact CD2-CD2 3.97Å; Y1167-W1200 HydrophobicContact CD2-CD2 3.97Å; Y1167-W1200 AromaticContact CD2-CE2 3.87Å; Y1167-W1200 HydrophobicContact CD2-CE3 4.27Å; Y1167-W1200 HydrophobicContact CD2-CG 4.44Å; Y1167-W1200 HydrophobicContact CD2-CH2 4.44Å; Y1167-W1200 HydrophobicContact CD2-CZ2 4.13Å; S1198-W1200 PolarHBondContact O-N 2.84Å; S1198-W1200 PolarHBondContact OG-N 3.2Å; W1200-D1271 HydrophobicContact CG-CB 4.1Å; W1200-D1272 HydrophobicContact CD2-CB 4.29Å; W1200-D1272 HydrophobicContact CE3-CB 4.3Å; W1200-D1272 HydrophobicContact CH2-CB 4.02Å; W1200-D1272 HydrophobicContact CZ2-CB 4.01Å; W1200-D1272 HydrophobicContact CZ3-CB 4.17Å; W1200-L1275 HydrophobicContact CB-CD1 3.24Å; W1200-L1275 HydrophobicContact CG-CD1 4.23Å
1201M87Confident80.6Confident0 Ų049.5 Ų49.50%025%0.25CC..EExtended strand (participates in β ladder)trans-136.3126.6-173.9-176.3-87.1-70.700111.1I1165 Y1166 D1168 V1176 R1203 R1247 I1248 R1249I1165-M1201 WeakPolarHBondContact CA-O 3.41Å; Y1166-M1201 HydrophobicContact CD2-CE 4.12Å; Y1166-M1201 HydrophobicContact CG-CE 4.37Å; Y1166-M1201 PolarHBondContact N-O 3.09Å; Y1166-M1201 PolarHBondContact O-N 3.3Å; D1168-M1201 HydrophobicContact CB-CB 4.18Å; D1168-M1201 HydrophobicContact CB-CE 4.42Å; V1176-M1201 HydrophobicContact CG2-CE 4.3Å; M1201-R1203 HydrophobicContact CE-CB 4.27Å; M1201-R1203 HydrophobicContact SD-CB 3.75Å; M1201-R1247 HydrophobicContact CE-CG 4.32Å; M1201-R1247 HydrophobicContact CG-CB 4.06Å; M1201-R1247 HydrophobicContact CG-CG 4.48Å; M1201-R1247 HydrophobicContact SD-CB 3.8Å; M1201-R1247 HydrophobicContact SD-CG 3.75Å; M1201-I1248 WeakPolarHBondContact CA-O 3.36Å; M1201-R1249 HydrophobicContact CB-CG 3.87Å; M1201-R1249 HydrophobicContact CG-CG 3.74Å
1202L89.6Confident81.2Confident0 Ų046.8 Ų46.80%024%0.239CC..EExtended strand (participates in β ladder)trans-94.2109.2173.617162.9000109.7Y1164 I1165 I1204 I1248 L1275 E1279 L1282Y1164-L1202 CarbonylContact O-C 3.52Å; I1165-L1202 HydrophobicContact CG1-CD1 3.98Å; L1202-I1204 HydrophobicContact CD1-CG1 4.39Å; L1202-I1204 HydrophobicContact CD2-CD1 4.23Å; L1202-I1204 HydrophobicContact CD2-CG1 4.47Å; L1202-I1204 HydrophobicContact CG-CD1 4.33Å; L1202-I1204 HydrophobicContact CG-CG1 4.03Å; L1202-I1248 HydrophobicContact CB-CB 4.29Å; L1202-I1248 HydrophobicContact CD2-CD1 4.4Å; L1202-I1248 PolarHBondContact N-O 2.63Å; L1202-I1248 PolarHBondContact O-N 3.15Å; L1202-L1275 HydrophobicContact CB-CD2 4.16Å; L1202-E1279 HydrophobicContact CD1-CB 4.49Å; L1202-E1279 HydrophobicContact CD1-CG 4.24Å; L1202-E1279 HydrophobicContact CD2-CB 4.08Å; L1202-E1279 HydrophobicContact CD2-CG 4.45Å; L1202-L1282 HydrophobicContact CD2-CD1 3.87Å
1203R90.5Very high81.6Confident5 Ų547.8 Ų47.82%0.01926%0.262CS..EExtended strand (participates in β ladder)trans-93.1122.5175.3-167.3178.2-173.9-105.510.1109.9T1163 Y1164 Y1166 E1178 D1179 M1201 V1245 M1246T1163-R1203 WeakPolarHBondContact CA-O 3.41Å; Y1164-R1203 PolarHBondContact N-O 2.85Å; Y1164-R1203 PolarHBondContact O-N 3.36Å; Y1166-R1203 HydrophobicContact CD2-CB 4.06Å; Y1166-R1203 HydrophobicContact CE2-CB 4.16Å; E1178-R1203 IonicContact OE2-CZ 3.72Å; E1178-R1203 IonicContact OE2-NH1 2.83Å; E1178-R1203 PolarHBondContact OE2-NH1 3.3Å; E1178-R1203 IonicContact OE2-NH2 3.24Å; E1178-R1203 PolarHBondContact OE2-NH2 3.1Å; D1179-R1203 IonicContact OD1-CZ 3.08Å; D1179-R1203 IonicContact OD1-NE 3.23Å; D1179-R1203 PolarHBondContact OD1-NE 3.43Å; D1179-R1203 IonicContact OD1-NH2 2.97Å; D1179-R1203 PolarHBondContact OD1-NH2 3.38Å; D1179-R1203 IonicContact OD2-CZ 3.23Å; D1179-R1203 IonicContact OD2-NE 3.74Å; D1179-R1203 PolarHBondContact OD2-NE 3.08Å; D1179-R1203 IonicContact OD2-NH2 2.8Å; M1201-R1203 HydrophobicContact CE-CB 4.27Å; M1201-R1203 HydrophobicContact SD-CB 3.75Å; R1203-V1245 HydrophobicContact CG-CG1 3.63Å; R1203-M1246 WeakPolarHBondContact CA-O 3.31Å
1204I90.5Very high82.2Confident1 Ų144.8 Ų44.81%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-113.7123.7178.9-53.6-168.7000108.9L1156 V1160 T1163 L1202 F1206 V1245 M1246 I1248 L1282L1156-I1204 HydrophobicContact CD2-CD1 4.17Å; V1160-I1204 HydrophobicContact CB-CG2 4.22Å; V1160-I1204 HydrophobicContact CG1-CG2 3.8Å; V1160-I1204 HydrophobicContact CG2-CG2 3.36Å; T1163-I1204 HydrophobicContact CG2-CG1 4.21Å; T1163-I1204 HydrophobicContact CG2-CG2 4.37Å; L1202-I1204 HydrophobicContact CD1-CG1 4.39Å; L1202-I1204 HydrophobicContact CD2-CD1 4.23Å; L1202-I1204 HydrophobicContact CD2-CG1 4.47Å; L1202-I1204 HydrophobicContact CG-CD1 4.33Å; L1202-I1204 HydrophobicContact CG-CG1 4.03Å; I1204-F1206 HydrophobicContact CB-CE2 4Å; I1204-F1206 HydrophobicContact CB-CZ 4.42Å; I1204-F1206 HydrophobicContact CG2-CD2 4.21Å; I1204-F1206 HydrophobicContact CG2-CE1 4.39Å; I1204-F1206 HydrophobicContact CG2-CE2 3.6Å; I1204-F1206 HydrophobicContact CG2-CZ 3.71Å; I1204-V1245 CarbonylContact O-C 3.56Å; I1204-V1245 VanDerWaalsContact O-CA 3.32Å; I1204-V1245 WeakPolarHBondContact O-CA 3.15Å; I1204-M1246 HydrophobicContact CB-CE 4.35Å; I1204-M1246 HydrophobicContact CD1-CE 3.84Å; I1204-M1246 HydrophobicContact CG1-CE 4.39Å; I1204-M1246 PolarHBondContact N-O 2.86Å; I1204-M1246 PolarHBondContact O-N 3.01Å; I1204-I1248 HydrophobicContact CD1-CD1 3.98Å; I1204-L1282 HydrophobicContact CD1-CD1 4.45Å
1205E90.3Very high83Confident28 Ų2848.4 Ų48.413%0.13126%0.258CS..EExtended strand (participates in β ladder)trans-101.4132.6176.5-167.7-176.1112.600110.6V1160 N1161 S1162 K1243 V1245V1160-E1205 CarbonylContact C-O 3.58Å; V1160-E1205 WeakPolarHBondContact CA-O 3.5Å; N1161-E1205 HydrophobicContact CB-CB 4.48Å; N1161-E1205 HydrophobicContact CB-CG 4.49Å; N1161-E1205 PolarHBondContact N-O 2.87Å; N1161-E1205 PolarHBondContact ND2-OE1 2.89Å; S1162-E1205 PolarHBondContact O-N 3.45Å; E1205-K1243 VanDerWaalsContact CD-CE 3.42Å; E1205-K1243 WeakPolarHBondContact OE2-CE 3.28Å; E1205-K1243 IonicContact OE2-NZ 2.7Å; E1205-K1243 PolarHBondContact OE2-NZ 3.15Å; E1205-V1245 HydrophobicContact CG-CG2 4.47Å
1206F89.2Confident83.8Confident10 Ų1042.2 Ų42.24%0.04422%0.224CC..EExtended strand (participates in β ladder)trans-109.8144.1-173.2-69.9-94.4000113.7L1156 L1159 V1160 I1204 R1208 M1211 M1218 I1221 L1244 M1246L1156-F1206 HydrophobicContact CD1-CE1 3.65Å; L1156-F1206 HydrophobicContact CD1-CZ 3.88Å; L1159-F1206 HydrophobicContact CB-CD1 4.04Å; L1159-F1206 HydrophobicContact CB-CE1 4.47Å; V1160-F1206 HydrophobicContact CG2-CD1 4.24Å; V1160-F1206 HydrophobicContact CG2-CE1 3.93Å; V1160-F1206 HydrophobicContact CG2-CZ 4.36Å; I1204-F1206 HydrophobicContact CB-CE2 4Å; I1204-F1206 HydrophobicContact CB-CZ 4.42Å; I1204-F1206 HydrophobicContact CG2-CD2 4.21Å; I1204-F1206 HydrophobicContact CG2-CE1 4.39Å; I1204-F1206 HydrophobicContact CG2-CE2 3.6Å; I1204-F1206 HydrophobicContact CG2-CZ 3.71Å; F1206-R1208 PolarHBondContact O-N 2.95Å; F1206-M1211 HydrophobicContact CB-CG 4.4Å; F1206-M1211 HydrophobicContact CD1-SD 4.24Å; F1206-M1218 HydrophobicContact CB-SD 4.37Å; F1206-M1218 HydrophobicContact CD2-CE 3.66Å; F1206-M1218 HydrophobicContact CD2-SD 3.79Å; F1206-M1218 HydrophobicContact CE2-CE 3.73Å; F1206-M1218 HydrophobicContact CE2-SD 4.19Å; F1206-M1218 HydrophobicContact CG-CE 4.47Å; F1206-M1218 HydrophobicContact CG-SD 4.02Å; F1206-I1221 HydrophobicContact CD1-CD1 4.27Å; F1206-I1221 HydrophobicContact CE1-CD1 3.82Å; F1206-I1221 HydrophobicContact CE1-CG2 4.34Å; F1206-I1221 HydrophobicContact CZ-CD1 4.45Å; F1206-I1221 HydrophobicContact CZ-CG2 4.15Å; F1206-L1244 HydrophobicContact CB-CB 3.9Å; F1206-L1244 PolarHBondContact N-O 3.39Å; F1206-M1246 HydrophobicContact CE2-CB 3.8Å; F1206-M1246 HydrophobicContact CE2-CE 4.05Å; F1206-M1246 HydrophobicContact CZ-CE 3.85Å
1207T87.1Confident84.6Confident46 Ų4642.5 Ų42.528%0.28223%0.225SC..  trans-81112176.361.80000111.5L1159 N1161 K1209 G1210 M1211L1159-T1207 WeakPolarHBondContact O-CB 3.38Å; L1159-T1207 PolarHBondContact O-N 2.99Å; L1159-T1207 PolarHBondContact O-OG1 2.81Å; N1161-T1207 HydrophobicContact CB-CG2 3.79Å; T1207-K1209 PolarHBondContact O-N 3.37Å; T1207-G1210 PolarHBondContact O-N 2.99Å; T1207-M1211 PolarHBondContact O-N 3.43Å
1208R85.6Confident85.1Confident134 Ų13441.9 Ų41.951%0.50622%0.222SC..Hα-helixtrans-53.5-39.4177.9-170.7173.7-77.9-114.1-4.5112.6F1206 G1210 M1211 T1212 D1240 L1242 L1244F1206-R1208 PolarHBondContact O-N 2.95Å; R1208-G1210 PolarHBondContact O-N 3.41Å; R1208-M1211 PolarHBondContact O-N 3.45Å; R1208-T1212 PolarHBondContact O-N 3.41Å; R1208-T1212 PolarHBondContact O-OG1 2.91Å; R1208-D1240 PolarHBondContact NH2-O 2.74Å; R1208-L1242 PolarHBondContact NH2-O 3.45Å; R1208-L1244 HydrophobicContact CB-CD1 3.95Å; R1208-L1244 HydrophobicContact CG-CD1 4.17Å
1209K80.7Confident85.4Confident165 Ų16548.5 Ų48.572%0.71725%0.253SS*.Hα-helixtrans-62.7-37.6175.5-173.3170.4-176.3169.20113.1T1207 G1213T1207-K1209 PolarHBondContact O-N 3.37Å; K1209-G1213 PolarHBondContact O-N 3.04Å
1210G79.2Confident85.7Confident18 Ų1850.6 Ų50.619%0.18626%0.258CS..Hα-helixtrans-71-44.7177.300000112.2T1207 R1208 K1214T1207-G1210 PolarHBondContact O-N 2.99Å; R1208-G1210 PolarHBondContact O-N 3.41Å; G1210-K1214 WeakPolarHBondContact O-CG 3.37Å; G1210-K1214 PolarHBondContact O-N 2.98Å
1211M82.6Confident85.8Confident5 Ų546.9 Ų46.93%0.02524%0.244CC..Hα-helixtrans-59.9-55177.3-67.6-67-77.800111.8L1159 F1206 T1207 R1208 G1213 K1214 K1215 L1216 M1218 I1221 L1244L1159-M1211 HydrophobicContact CD1-SD 3.92Å; L1159-M1211 HydrophobicContact CD2-SD 4.34Å; F1206-M1211 HydrophobicContact CB-CG 4.4Å; F1206-M1211 HydrophobicContact CD1-SD 4.24Å; T1207-M1211 PolarHBondContact O-N 3.43Å; R1208-M1211 PolarHBondContact O-N 3.45Å; M1211-G1213 PolarHBondContact O-N 3.16Å; M1211-K1214 PolarHBondContact O-N 3.14Å; M1211-K1215 PolarHBondContact O-N 3.36Å; M1211-K1215 VanDerWaalsContact O-N 3.08Å; M1211-L1216 HydrophobicContact CE-CB 4.15Å; M1211-L1216 WeakPolarHBondContact CE-O 3.36Å; M1211-L1216 PolarHBondContact O-N 3.26Å; M1211-L1216 HydrophobicContact SD-CB 4.17Å; M1211-M1218 HydrophobicContact CE-CG 4.24Å; M1211-M1218 HydrophobicContact CE-SD 3.88Å; M1211-I1221 HydrophobicContact CE-CD1 3.56Å; M1211-I1221 HydrophobicContact SD-CD1 3.56Å; M1211-I1221 VanDerWaalsContact SD-CD1 3.56Å; M1211-L1244 HydrophobicContact CB-CD1 4.43Å; M1211-L1244 HydrophobicContact CG-CD1 4.12Å
1212T83Confident85.8Confident103 Ų10347.2 Ų47.263%0.63225%0.247SC*.Hα-helixtrans-62.2-42.5-178.8-51.30000112.2R1208 K1214 K1215R1208-T1212 PolarHBondContact O-N 3.41Å; R1208-T1212 PolarHBondContact O-OG1 2.91Å; T1212-K1214 PolarHBondContact O-N 3.25Å; T1212-K1214 VanDerWaalsContact O-N 3.16Å; T1212-K1215 PolarHBondContact O-N 2.86Å
1213G76.4Confident85.7Confident65 Ų6551 Ų5167%0.6727%0.267SS*.Hα-helixtrans-64.3-18.618000000114.4K1209 M1211K1209-G1213 PolarHBondContact O-N 3.04Å; M1211-G1213 PolarHBondContact O-N 3.16Å
1214K81.8Confident85.6Confident33 Ų3354.3 Ų54.314%0.14328%0.282CS..Hα-helixtrans-113.63.4-179.4-63.1-167170.2-156.20114.2E1152 T1154 L1159 G1210 M1211 T1212 L1216E1152-K1214 IonicContact OE1-NZ 3.78Å; E1152-K1214 PolarHBondContact OE1-NZ 2.89Å; T1154-K1214 HydrophobicContact CG2-CD 3.64Å; T1154-K1214 WeakPolarHBondContact OG1-CD 3.48Å; T1154-K1214 PolarHBondContact OG1-NZ 2.88Å; L1159-K1214 HydrophobicContact CD2-CD 4.21Å; G1210-K1214 WeakPolarHBondContact O-CG 3.37Å; G1210-K1214 PolarHBondContact O-N 2.98Å; M1211-K1214 PolarHBondContact O-N 3.14Å; T1212-K1214 PolarHBondContact O-N 3.25Å; T1212-K1214 VanDerWaalsContact O-N 3.16Å; K1214-L1216 VanDerWaalsContact C-N 3.29Å; K1214-L1216 HydrophobicContact CB-CD1 4.13Å; K1214-L1216 HydrophobicContact CB-CG 4.42Å; K1214-L1216 PolarHBondContact O-N 2.99Å
1215K84.7Confident85.4Confident105 Ų10554.3 Ų54.346%0.45728%0.281SS..THydrogen-bonded Turntrans52.243.9-179.5-56.9-171.8178.1-175.10113D1146 M1211 T1212D1146-K1215 WeakPolarHBondContact OD1-CD 3.34Å; D1146-K1215 WeakPolarHBondContact OD1-CE 3.23Å; D1146-K1215 IonicContact OD1-NZ 3.26Å; D1146-K1215 PolarHBondContact OD1-NZ 2.67Å; M1211-K1215 PolarHBondContact O-N 3.36Å; M1211-K1215 VanDerWaalsContact O-N 3.08Å; T1212-K1215 PolarHBondContact O-N 2.86Å
1216L85.9Confident85.2Confident17 Ų1755.6 Ų55.69%0.08929%0.292CS..  trans-102.2137.5174.1-75165.6000110.4T1154 L1159 M1211 K1214 L1288 Q1289T1154-L1216 HydrophobicContact CG2-CD1 4.17Å; L1159-L1216 HydrophobicContact CD1-CD1 3.52Å; M1211-L1216 HydrophobicContact CE-CB 4.15Å; M1211-L1216 WeakPolarHBondContact CE-O 3.36Å; M1211-L1216 PolarHBondContact O-N 3.26Å; M1211-L1216 HydrophobicContact SD-CB 4.17Å; K1214-L1216 VanDerWaalsContact C-N 3.29Å; K1214-L1216 HydrophobicContact CB-CD1 4.13Å; K1214-L1216 HydrophobicContact CB-CG 4.42Å; K1214-L1216 PolarHBondContact O-N 2.99Å; L1216-L1288 HydrophobicContact CD1-CB 4.46Å; L1216-Q1289 HydrophobicContact CD2-CG 4Å
1217S87.1Confident85.1Confident23 Ų2363.3 Ų63.316%0.16132%0.32CS..  trans-98.4161.7166.3680000111.2E1219 Q1220 I1221S1217-E1219 VanDerWaalsContact C-N 3.33Å; S1217-Q1220 PolarHBondContact O-N 3.46Å; S1217-Q1220 WeakPolarHBondContact OG-CG 3.23Å; S1217-Q1220 PolarHBondContact OG-N 3.2Å; S1217-I1221 PolarHBondContact O-N 3.14Å
1218M86.7Confident84.9Confident2 Ų264.2 Ų64.21%0.0133%0.332CS..Hα-helixtrans-64.1-39.8175.9-69.5-68-65.500111.9F1206 M1211 Q1220 I1221 A1222 I1237 D1240 L1244 V1245 M1246F1206-M1218 HydrophobicContact CB-SD 4.37Å; F1206-M1218 HydrophobicContact CD2-CE 3.66Å; F1206-M1218 HydrophobicContact CD2-SD 3.79Å; F1206-M1218 HydrophobicContact CE2-CE 3.73Å; F1206-M1218 HydrophobicContact CE2-SD 4.19Å; F1206-M1218 HydrophobicContact CG-CE 4.47Å; F1206-M1218 HydrophobicContact CG-SD 4.02Å; M1211-M1218 HydrophobicContact CE-CG 4.24Å; M1211-M1218 HydrophobicContact CE-SD 3.88Å; M1218-Q1220 PolarHBondContact O-N 3.16Å; M1218-I1221 PolarHBondContact O-N 2.83Å; M1218-I1221 VanDerWaalsContact O-N 3.09Å; M1218-A1222 PolarHBondContact O-N 2.8Å; M1218-A1222 VanDerWaalsContact O-N 3.09Å; M1218-I1237 HydrophobicContact CB-CG2 3.49Å; M1218-I1237 VanDerWaalsContact CB-CG2 3.49Å; M1218-I1237 HydrophobicContact CE-CG2 4.13Å; M1218-I1237 HydrophobicContact CG-CG2 4.29Å; M1218-D1240 WeakPolarHBondContact CG-OD1 3.29Å; M1218-L1244 HydrophobicContact CG-CD2 4.07Å; M1218-L1244 HydrophobicContact SD-CB 4.16Å; M1218-V1245 WeakPolarHBondContact CE-O 3.3Å; M1218-M1246 HydrophobicContact CE-CB 3.93Å
1219E87.6Confident84.7Confident140 Ų14060.1 Ų60.165%0.65432%0.318SS*.Hα-helixtrans-49.7-56172.9-59.9172.3154.900110.7S1217 I1221 A1222 D1223S1217-E1219 VanDerWaalsContact C-N 3.33Å; E1219-I1221 PolarHBondContact O-N 2.85Å; E1219-I1221 VanDerWaalsContact O-N 3.08Å; E1219-A1222 PolarHBondContact O-N 3.4Å; E1219-A1222 VanDerWaalsContact O-N 3.12Å; E1219-D1223 VanDerWaalsContact O-CB 3.24Å; E1219-D1223 WeakPolarHBondContact O-CB 3.11Å; E1219-D1223 PolarHBondContact O-N 2.93Å
1220Q87.7Confident84.6Confident84 Ų8453.9 Ų53.939%0.39330%0.301SS..Hα-helixtrans-57.4-27.4-178.9-73.2173.5400114.1S1217 M1218 K1224S1217-Q1220 PolarHBondContact O-N 3.46Å; S1217-Q1220 WeakPolarHBondContact OG-CG 3.23Å; S1217-Q1220 PolarHBondContact OG-N 3.2Å; M1218-Q1220 PolarHBondContact O-N 3.16Å; Q1220-K1224 WeakPolarHBondContact O-CG 3.32Å; Q1220-K1224 PolarHBondContact O-N 3.4Å
1221I88.4Confident84.3Confident0 Ų059.4 Ų59.40%033%0.326CS..Hα-helixtrans-77.7-49.4177.5-65.7-178.9000110L1156 L1159 F1206 M1211 S1217 M1218 E1219 D1223 K1224 I1225 L1288L1156-I1221 HydrophobicContact CD1-CG2 3.7Å; L1159-I1221 HydrophobicContact CD1-CD1 3.94Å; F1206-I1221 HydrophobicContact CD1-CD1 4.27Å; F1206-I1221 HydrophobicContact CE1-CD1 3.82Å; F1206-I1221 HydrophobicContact CE1-CG2 4.34Å; F1206-I1221 HydrophobicContact CZ-CD1 4.45Å; F1206-I1221 HydrophobicContact CZ-CG2 4.15Å; M1211-I1221 HydrophobicContact CE-CD1 3.56Å; M1211-I1221 HydrophobicContact SD-CD1 3.56Å; M1211-I1221 VanDerWaalsContact SD-CD1 3.56Å; S1217-I1221 PolarHBondContact O-N 3.14Å; M1218-I1221 PolarHBondContact O-N 2.83Å; M1218-I1221 VanDerWaalsContact O-N 3.09Å; E1219-I1221 PolarHBondContact O-N 2.85Å; E1219-I1221 VanDerWaalsContact O-N 3.08Å; I1221-D1223 VanDerWaalsContact C-N 3.33Å; I1221-D1223 PolarHBondContact O-N 3.38Å; I1221-K1224 WeakPolarHBondContact O-CB 3.48Å; I1221-K1224 PolarHBondContact O-N 2.95Å; I1221-I1225 HydrophobicContact CG2-CD1 3.94Å; I1221-I1225 WeakPolarHBondContact O-CG1 3.31Å; I1221-I1225 PolarHBondContact O-N 2.84Å; I1221-L1288 HydrophobicContact CB-CD2 4.49Å; I1221-L1288 HydrophobicContact CD1-CD1 4.2Å; I1221-L1288 HydrophobicContact CG1-CD1 4.24Å; I1221-L1288 HydrophobicContact CG1-CD2 4.2Å; I1221-L1288 HydrophobicContact CG2-CD2 4.19Å
1222A87.9Confident84.1Confident7 Ų764.3 Ų64.36%0.05835%0.352CS..Hα-helixtrans-59.5-45.8175.600000111.3M1218 E1219 K1224 I1225 T1226 C1235 I1237 M1246M1218-A1222 PolarHBondContact O-N 2.8Å; M1218-A1222 VanDerWaalsContact O-N 3.09Å; E1219-A1222 PolarHBondContact O-N 3.4Å; E1219-A1222 VanDerWaalsContact O-N 3.12Å; A1222-K1224 PolarHBondContact O-N 2.99Å; A1222-I1225 WeakPolarHBondContact O-CA 3.5Å; A1222-I1225 PolarHBondContact O-N 2.9Å; A1222-T1226 PolarHBondContact O-N 2.76Å; A1222-T1226 PolarHBondContact O-OG1 3.43Å; A1222-C1235 HydrophobicContact CB-CB 3.92Å; A1222-I1237 HydrophobicContact CB-CD1 3.36Å; A1222-I1237 HydrophobicContact CB-CG1 4.06Å; A1222-M1246 HydrophobicContact CB-SD 4.42Å
1223D87.7Confident84Confident80 Ų8059.7 Ų59.743%0.42832%0.324SS..Hα-helixtrans-53.5-28.4173.9-137.330.9000113E1219 I1221 R1227E1219-D1223 VanDerWaalsContact O-CB 3.24Å; E1219-D1223 WeakPolarHBondContact O-CB 3.11Å; E1219-D1223 PolarHBondContact O-N 2.93Å; I1221-D1223 VanDerWaalsContact C-N 3.33Å; I1221-D1223 PolarHBondContact O-N 3.38Å; D1223-R1227 VanDerWaalsContact CG-NH2 3.35Å; D1223-R1227 WeakPolarHBondContact O-CB 2.86Å; D1223-R1227 WeakPolarHBondContact O-CD 3.41Å; D1223-R1227 WeakPolarHBondContact O-CG 3.28Å; D1223-R1227 PolarHBondContact O-N 3Å; D1223-R1227 PolarHBondContact O-NH1 2.93Å; D1223-R1227 IonicContact OD1-NH1 3.1Å; D1223-R1227 IonicContact OD1-NH2 3.75Å; D1223-R1227 IonicContact OD2-CZ 3.6Å; D1223-R1227 IonicContact OD2-NH1 3.25Å; D1223-R1227 PolarHBondContact OD2-NH1 2.78Å; D1223-R1227 IonicContact OD2-NH2 2.71Å; D1223-R1227 PolarHBondContact OD2-NH2 2.96Å
1224K87Confident84.3Confident75 Ų7557.6 Ų57.633%0.32630%0.297SS..Hα-helixtrans-88-28.6175.5-83.7-164.1158.8-150.60113.7Q1220 I1221 A1222 A1228 T1287 L1288Q1220-K1224 WeakPolarHBondContact O-CG 3.32Å; Q1220-K1224 PolarHBondContact O-N 3.4Å; I1221-K1224 WeakPolarHBondContact O-CB 3.48Å; I1221-K1224 PolarHBondContact O-N 2.95Å; A1222-K1224 PolarHBondContact O-N 2.99Å; K1224-A1228 WeakPolarHBondContact O-CB 3.5Å; K1224-A1228 PolarHBondContact O-N 3.05Å; K1224-T1287 PolarHBondContact NZ-O 2.72Å; K1224-L1288 HydrophobicContact CB-CD2 4.35Å; K1224-L1288 HydrophobicContact CD-CD2 4.3Å; K1224-L1288 WeakPolarHBondContact CD-O 3.43Å; K1224-L1288 VanDerWaalsContact CE-O 3.22Å; K1224-L1288 WeakPolarHBondContact CE-O 3.29Å; K1224-L1288 PolarHBondContact NZ-O 2.96Å
1225I87.5Confident84.5Confident0 Ų056.7 Ų56.70%030%0.295CS..Hα-helixtrans-73.5-49174.4-66164.2000109.5I1221 A1222 R1227 A1228 F1229 L1233 M1246 I1248 L1282 I1286I1221-I1225 HydrophobicContact CG2-CD1 3.94Å; I1221-I1225 WeakPolarHBondContact O-CG1 3.31Å; I1221-I1225 PolarHBondContact O-N 2.84Å; A1222-I1225 WeakPolarHBondContact O-CA 3.5Å; A1222-I1225 PolarHBondContact O-N 2.9Å; I1225-R1227 VanDerWaalsContact C-N 3.31Å; I1225-R1227 PolarHBondContact O-N 3.06Å; I1225-A1228 WeakPolarHBondContact O-CA 3.27Å; I1225-A1228 PolarHBondContact O-N 3.33Å; I1225-F1229 HydrophobicContact CG2-CD2 4.38Å; I1225-F1229 PolarHBondContact O-N 3.13Å; I1225-L1233 HydrophobicContact CG2-CD1 4.44Å; I1225-M1246 HydrophobicContact CD1-CE 3.46Å; I1225-M1246 VanDerWaalsContact CD1-CE 3.46Å; I1225-M1246 HydrophobicContact CD1-SD 3.82Å; I1225-I1248 HydrophobicContact CD1-CD1 4.39Å; I1225-I1248 HydrophobicContact CG2-CD1 4.49Å; I1225-L1282 HydrophobicContact CG1-CD2 4.34Å; I1225-L1282 HydrophobicContact CG2-CD2 3.99Å; I1225-I1286 HydrophobicContact CB-CD1 4.49Å; I1225-I1286 HydrophobicContact CG1-CD1 3.7Å
1226T86.5Confident84.4Confident56 Ų5651.9 Ų51.934%0.34427%0.274SS..Hα-helixtrans-60.1-37174.8-53.70000112.1A1222 A1228 G1230A1222-T1226 PolarHBondContact O-N 2.76Å; A1222-T1226 PolarHBondContact O-OG1 3.43Å; T1226-A1228 VanDerWaalsContact C-N 3.29Å; T1226-A1228 PolarHBondContact O-N 3.25Å; T1226-G1230 VanDerWaalsContact O-CA 3.23Å; T1226-G1230 WeakPolarHBondContact O-CA 3.49Å; T1226-G1230 PolarHBondContact O-N 3.29Å
1227R86Confident84.4Confident172 Ų17253.2 Ų53.265%0.64928%0.281SS*.Hα-helixtrans-68.4-23.1171.6-78178.2-165.3110.12.4114.5D1223 I1225D1223-R1227 VanDerWaalsContact CG-NH2 3.35Å; D1223-R1227 WeakPolarHBondContact O-CB 2.86Å; D1223-R1227 WeakPolarHBondContact O-CD 3.41Å; D1223-R1227 WeakPolarHBondContact O-CG 3.28Å; D1223-R1227 PolarHBondContact O-N 3Å; D1223-R1227 PolarHBondContact O-NH1 2.93Å; D1223-R1227 IonicContact OD1-NH1 3.1Å; D1223-R1227 IonicContact OD1-NH2 3.75Å; D1223-R1227 IonicContact OD2-CZ 3.6Å; D1223-R1227 IonicContact OD2-NH1 3.25Å; D1223-R1227 PolarHBondContact OD2-NH1 2.78Å; D1223-R1227 IonicContact OD2-NH2 2.71Å; D1223-R1227 PolarHBondContact OD2-NH2 2.96Å; I1225-R1227 VanDerWaalsContact C-N 3.31Å; I1225-R1227 PolarHBondContact O-N 3.06Å
1228A82.5Confident84.1Confident64 Ų6452.6 Ų52.653%0.52928%0.276SS..Hα-helixtrans-92.8-31.1-178.500000113.1K1224 I1225 T1226K1224-A1228 WeakPolarHBondContact O-CB 3.5Å; K1224-A1228 PolarHBondContact O-N 3.05Å; I1225-A1228 WeakPolarHBondContact O-CA 3.27Å; I1225-A1228 PolarHBondContact O-N 3.33Å; T1226-A1228 VanDerWaalsContact C-N 3.29Å; T1226-A1228 PolarHBondContact O-N 3.25Å
1229F81.5Confident83.5Confident49 Ų4958.3 Ų58.322%0.21531%0.306CS..Hα-helixtrans-117.73.6-175.9-69.9-95.7000113.9I1225 D1232 L1233 L1282 I1286I1225-F1229 HydrophobicContact CG2-CD2 4.38Å; I1225-F1229 PolarHBondContact O-N 3.13Å; F1229-D1232 WeakPolarHBondContact O-CB 3.4Å; F1229-D1232 PolarHBondContact O-N 3.43Å; F1229-L1233 HydrophobicContact CB-CB 4.38Å; F1229-L1233 HydrophobicContact CB-CD1 3.65Å; F1229-L1233 HydrophobicContact CB-CG 3.97Å; F1229-L1233 HydrophobicContact CD1-CD1 3.72Å; F1229-L1233 HydrophobicContact CD1-CG 4.46Å; F1229-L1233 HydrophobicContact CD2-CD1 4.15Å; F1229-L1233 HydrophobicContact CE1-CD1 4.43Å; F1229-L1233 HydrophobicContact CG-CD1 3.55Å; F1229-L1233 HydrophobicContact CG-CG 4.35Å; F1229-L1282 HydrophobicContact CD2-CD2 4.09Å; F1229-L1282 HydrophobicContact CE2-CD2 3.58Å; F1229-L1282 HydrophobicContact CZ-CD2 4.04Å; F1229-I1286 HydrophobicContact CE2-CD1 4.05Å; F1229-I1286 HydrophobicContact CE2-CG1 4.49Å
1230G78.3Confident82.6Confident34 Ų3455.4 Ų55.435%0.35130%0.296SS..THydrogen-bonded Turntrans64.7-140.3179.100000112.8T1226 D1232T1226-G1230 VanDerWaalsContact O-CA 3.23Å; T1226-G1230 WeakPolarHBondContact O-CA 3.49Å; T1226-G1230 PolarHBondContact O-N 3.29Å; G1230-D1232 VanDerWaalsContact C-N 3.34Å
1231N73.6Confident81.9Confident133 Ų13358.4 Ų58.471%0.71131%0.314SS*.THydrogen-bonded Turntrans-88.2-2.9179.3-67.9-3.7000112.9L1233N1231-L1233 PolarHBondContact O-N 2.82Å
1232D77.6Confident81.2Confident108 Ų10862.1 Ų62.158%0.57833%0.334SS*.SBendtrans-65.8-25.2-176-53.1-2.7000111.8F1229 G1230 I1250 M1251F1229-D1232 WeakPolarHBondContact O-CB 3.4Å; F1229-D1232 PolarHBondContact O-N 3.43Å; G1230-D1232 VanDerWaalsContact C-N 3.34Å; D1232-I1250 WeakPolarHBondContact O-CA 3.32Å; D1232-M1251 PolarHBondContact O-N 3.26Å
1233L81.6Confident80.7Confident6 Ų666.1 Ų66.13%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-123.2119.5-179.8-60.6-177000111.6I1225 F1229 N1231 I1248 R1249 I1250 I1278I1225-L1233 HydrophobicContact CG2-CD1 4.44Å; F1229-L1233 HydrophobicContact CB-CB 4.38Å; F1229-L1233 HydrophobicContact CB-CD1 3.65Å; F1229-L1233 HydrophobicContact CB-CG 3.97Å; F1229-L1233 HydrophobicContact CD1-CD1 3.72Å; F1229-L1233 HydrophobicContact CD1-CG 4.46Å; F1229-L1233 HydrophobicContact CD2-CD1 4.15Å; F1229-L1233 HydrophobicContact CE1-CD1 4.43Å; F1229-L1233 HydrophobicContact CG-CD1 3.55Å; F1229-L1233 HydrophobicContact CG-CG 4.35Å; N1231-L1233 PolarHBondContact O-N 2.82Å; L1233-I1248 HydrophobicContact CB-CG2 3.98Å; L1233-I1248 HydrophobicContact CD1-CG2 4.14Å; L1233-I1248 HydrophobicContact CD2-CG2 3.97Å; L1233-I1248 HydrophobicContact CG-CG2 4.26Å; L1233-R1249 WeakPolarHBondContact CA-O 3.45Å; L1233-I1250 HydrophobicContact CD2-CG1 3.99Å; L1233-I1278 HydrophobicContact CD1-CG2 4.02Å; L1233-I1278 HydrophobicContact CD2-CD1 4.09Å
1234I82.4Confident80.7Confident21 Ų2163 Ų6311%0.10833%0.333CS..EExtended strand (participates in β ladder)trans-87.7127.4168.2-59.9175.9000108.8F1192 H1236 I1248 R1249 M1251F1192-I1234 HydrophobicContact CD2-CD1 3.71Å; F1192-I1234 HydrophobicContact CE2-CD1 3.77Å; F1192-I1234 HydrophobicContact CG-CD1 4.26Å; F1192-I1234 HydrophobicContact CZ-CD1 4.4Å; I1234-H1236 VanDerWaalsContact CG2-CE1 3.45Å; I1234-H1236 WeakPolarHBondContact CG2-CE1 3.45Å; I1234-I1248 VanDerWaalsContact O-CA 3.31Å; I1234-I1248 WeakPolarHBondContact O-CA 3.36Å; I1234-R1249 PolarHBondContact N-O 3Å; I1234-R1249 PolarHBondContact O-N 3.28Å; I1234-M1251 HydrophobicContact CD1-CE 4.03Å; I1234-M1251 HydrophobicContact CD1-CG 3.57Å; I1234-M1251 HydrophobicContact CD1-SD 3.88Å; I1234-M1251 HydrophobicContact CG1-CG 3.69Å
1235C85.6Confident80.7Confident15 Ų1559.4 Ų59.410%0.10132%0.318CS..EExtended strand (participates in β ladder)trans-106.5111.1173.8-63.50000110.2A1222 M1246 R1247A1222-C1235 HydrophobicContact CB-CB 3.92Å; C1235-M1246 HydrophobicContact CB-CG 4.39Å; C1235-M1246 HydrophobicContact CB-SD 4.26Å; C1235-R1247 CarbonylContact C-O 3.49Å; C1235-R1247 WeakPolarHBondContact CA-O 3.45Å
1236H84.1Confident80.8Confident4 Ų459.4 Ų59.42%0.01932%0.318CS..EExtended strand (participates in β ladder)trans-92138.2171.4-43.5-87.4000110.5W1182 Y1186 Y1187 I1234 M1246 R1247W1182-H1236 HydrophobicContact CH2-CB 3.99Å; W1182-H1236 HydrophobicContact CZ3-CB 3.87Å; Y1186-H1236 AromaticContact CD1-ND1 3.5Å; Y1186-H1236 AromaticContact CE1-CE1 3.81Å; Y1186-H1236 AromaticContact CE1-ND1 3.12Å; Y1186-H1236 WeakPolarHBondContact CE1-ND1 3.3Å; Y1186-H1236 HydrophobicContact CE2-CB 4.42Å; Y1186-H1236 AromaticContact CZ-ND1 3.51Å; Y1187-H1236 AromaticContact CZ-CE1 3.71Å; Y1187-H1236 PolarHBondContact OH-CE1 2.84Å; Y1187-H1236 PolarHBondContact OH-NE2 2.83Å; I1234-H1236 VanDerWaalsContact CG2-CE1 3.45Å; I1234-H1236 WeakPolarHBondContact CG2-CE1 3.45Å; H1236-M1246 WeakPolarHBondContact O-CA 3.47Å; H1236-R1247 HydrophobicContact CB-CB 4.15Å; H1236-R1247 PolarHBondContact N-O 3.26Å; H1236-R1247 PolarHBondContact O-N 2.78Å
1237I84.9Confident80.9Confident45 Ų4557 Ų5723%0.23130%0.302CS..  trans-133.3133.3-172.8-39.9173.1000108.7M1218 A1222M1218-I1237 HydrophobicContact CB-CG2 3.49Å; M1218-I1237 VanDerWaalsContact CB-CG2 3.49Å; M1218-I1237 HydrophobicContact CE-CG2 4.13Å; M1218-I1237 HydrophobicContact CG-CG2 4.29Å; A1222-I1237 HydrophobicContact CB-CD1 3.36Å; A1222-I1237 HydrophobicContact CB-CG1 4.06Å
1238P80.9Confident81Confident9 Ų948.8 Ų48.86%0.05827%0.271CS..  trans-82.6163.2167.135.1-33.4000111.2W1182 L1242 V1245W1182-P1238 HydrophobicContact CD2-CB 3.8Å; W1182-P1238 HydrophobicContact CE3-CB 4.21Å; W1182-P1238 HydrophobicContact CG-CB 3.95Å; W1182-P1238 HydrophobicContact CZ2-CB 4.45Å; W1182-P1238 HydrophobicContact CZ2-CG 4.47Å; P1238-L1242 HydrophobicContact CB-CB 4.24Å; P1238-L1242 HydrophobicContact CB-CD1 3.92Å; P1238-V1245 WeakPolarHBondContact CD-O 3.38Å
1239D73.7Confident81.2Confident122 Ų12245.8 Ų45.865%0.65225%0.246SC*.  trans-54.3140.8169.1-74.5-18000112N1241 L1242D1239-N1241 PolarHBondContact O-N 3.29Å; D1239-L1242 WeakPolarHBondContact O-CB 3.36Å; D1239-L1242 PolarHBondContact O-N 2.74Å
1240D70.2Confident81.3Confident80 Ų8044 Ų4443%0.42824%0.239SC..THydrogen-bonded Turntrans-56.8-13.4179.8-86.8-18.3000114.3R1208 M1218 L1242R1208-D1240 PolarHBondContact NH2-O 2.74Å; M1218-D1240 WeakPolarHBondContact CG-OD1 3.29Å; D1240-L1242 VanDerWaalsContact C-N 3.33Å
1241N72.7Confident81.2Confident147 Ų14744.1 Ų44.179%0.78623%0.231SC*.THydrogen-bonded Turntrans-69.9-27.7172.6-69.6-37000113.1D1239D1239-N1241 PolarHBondContact O-N 3.29Å
1242L72.4Confident80.9Confident77 Ų7741.8 Ų41.840%0.40322%0.218SC..SBendtrans-85.3-171.9-177.3-67171.5000112.2W1182 R1208 P1238 D1239 D1240 L1244W1182-L1242 HydrophobicContact CB-CD1 4.07Å; W1182-L1242 HydrophobicContact CG-CD1 4.38Å; R1208-L1242 PolarHBondContact NH2-O 3.45Å; P1238-L1242 HydrophobicContact CB-CB 4.24Å; P1238-L1242 HydrophobicContact CB-CD1 3.92Å; D1239-L1242 WeakPolarHBondContact O-CB 3.36Å; D1239-L1242 PolarHBondContact O-N 2.74Å; D1240-L1242 VanDerWaalsContact C-N 3.33Å; L1242-L1244 PolarHBondContact O-N 3.15Å
1243K78.5Confident79.9Confident91 Ų9139.6 Ų39.640%0.39621%0.211SC..  trans-64.4125.8169.3-166.9177.1176.3-173.50107.9E1178 E1205 V1245E1178-K1243 IonicContact OE1-NZ 3.37Å; E1178-K1243 PolarHBondContact OE1-NZ 3.21Å; E1178-K1243 IonicContact OE2-NZ 3.96Å; E1178-K1243 PolarHBondContact OE2-NZ 3.2Å; E1205-K1243 VanDerWaalsContact CD-CE 3.42Å; E1205-K1243 WeakPolarHBondContact OE2-CE 3.28Å; E1205-K1243 IonicContact OE2-NZ 2.7Å; E1205-K1243 PolarHBondContact OE2-NZ 3.15Å; K1243-V1245 HydrophobicContact CB-CG2 4.26Å; K1243-V1245 HydrophobicContact CD-CG2 4.3Å; K1243-V1245 HydrophobicContact CG-CG2 3.99Å; K1243-V1245 PolarHBondContact O-N 3.06Å
1244L86.4Confident78.5Confident15 Ų1544.5 Ų44.58%0.07924%0.237CC..  trans-7294.1-175.2-58.9179.1000109.7F1206 R1208 M1211 M1218 L1242F1206-L1244 HydrophobicContact CB-CB 3.9Å; F1206-L1244 PolarHBondContact N-O 3.39Å; R1208-L1244 HydrophobicContact CB-CD1 3.95Å; R1208-L1244 HydrophobicContact CG-CD1 4.17Å; M1211-L1244 HydrophobicContact CB-CD1 4.43Å; M1211-L1244 HydrophobicContact CG-CD1 4.12Å; M1218-L1244 HydrophobicContact CG-CD2 4.07Å; M1218-L1244 HydrophobicContact SD-CB 4.16Å; L1242-L1244 PolarHBondContact O-N 3.15Å
1245V88.3Confident77.1Confident0 Ų048.1 Ų48.10%026%0.257CS..EExtended strand (participates in β ladder)trans-127.4148.5-174.4174.10000108.1R1203 I1204 E1205 M1218 P1238 K1243R1203-V1245 HydrophobicContact CG-CG1 3.63Å; I1204-V1245 CarbonylContact O-C 3.56Å; I1204-V1245 VanDerWaalsContact O-CA 3.32Å; I1204-V1245 WeakPolarHBondContact O-CA 3.15Å; E1205-V1245 HydrophobicContact CG-CG2 4.47Å; M1218-V1245 WeakPolarHBondContact CE-O 3.3Å; P1238-V1245 WeakPolarHBondContact CD-O 3.38Å; K1243-V1245 HydrophobicContact CB-CG2 4.26Å; K1243-V1245 HydrophobicContact CD-CG2 4.3Å; K1243-V1245 HydrophobicContact CG-CG2 3.99Å; K1243-V1245 PolarHBondContact O-N 3.06Å
1246M88.9Confident75.3Confident0 Ų055.6 Ų55.60%029%0.29CS..EExtended strand (participates in β ladder)trans-133.6138.2169.1-175.6178.957.900108.7R1203 I1204 F1206 M1218 A1222 I1225 C1235 H1236 I1248R1203-M1246 WeakPolarHBondContact CA-O 3.31Å; I1204-M1246 HydrophobicContact CB-CE 4.35Å; I1204-M1246 HydrophobicContact CD1-CE 3.84Å; I1204-M1246 HydrophobicContact CG1-CE 4.39Å; I1204-M1246 PolarHBondContact N-O 2.86Å; I1204-M1246 PolarHBondContact O-N 3.01Å; F1206-M1246 HydrophobicContact CE2-CB 3.8Å; F1206-M1246 HydrophobicContact CE2-CE 4.05Å; F1206-M1246 HydrophobicContact CZ-CE 3.85Å; M1218-M1246 HydrophobicContact CE-CB 3.93Å; A1222-M1246 HydrophobicContact CB-SD 4.42Å; I1225-M1246 HydrophobicContact CD1-CE 3.46Å; I1225-M1246 VanDerWaalsContact CD1-CE 3.46Å; I1225-M1246 HydrophobicContact CD1-SD 3.82Å; C1235-M1246 HydrophobicContact CB-CG 4.39Å; C1235-M1246 HydrophobicContact CB-SD 4.26Å; H1236-M1246 WeakPolarHBondContact O-CA 3.47Å; M1246-I1248 HydrophobicContact CE-CD1 3.88Å; M1246-I1248 HydrophobicContact CE-CG1 4.14Å; M1246-I1248 HydrophobicContact CG-CG1 4.49Å
1247R89.1Confident73.6Confident4 Ų462.2 Ų62.22%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-109.2125.5175.1-60.8174.7157.2-129-17.3108.8D1168 T1174 D1179 W1182 M1201 C1235 H1236D1168-R1247 IonicContact OD2-CZ 2.94Å; D1168-R1247 IonicContact OD2-NH1 2.64Å; D1168-R1247 PolarHBondContact OD2-NH1 2.98Å; T1174-R1247 PolarHBondContact OG1-NH1 3.22Å; T1174-R1247 PolarHBondContact OG1-NH2 3.26Å; D1179-R1247 VanDerWaalsContact CB-NH2 3.25Å; D1179-R1247 IonicContact OD2-CZ 3.07Å; D1179-R1247 VanDerWaalsContact OD2-CZ 3.26Å; D1179-R1247 IonicContact OD2-NE 3.86Å; D1179-R1247 PolarHBondContact OD2-NE 3.24Å; D1179-R1247 IonicContact OD2-NH2 2.67Å; D1179-R1247 PolarHBondContact OD2-NH2 3.03Å; W1182-R1247 HydrophobicContact CH2-CG 3.92Å; W1182-R1247 HydrophobicContact CZ2-CG 4.12Å; M1201-R1247 HydrophobicContact CE-CG 4.32Å; M1201-R1247 HydrophobicContact CG-CB 4.06Å; M1201-R1247 HydrophobicContact CG-CG 4.48Å; M1201-R1247 HydrophobicContact SD-CB 3.8Å; M1201-R1247 HydrophobicContact SD-CG 3.75Å; C1235-R1247 CarbonylContact C-O 3.49Å; C1235-R1247 WeakPolarHBondContact CA-O 3.45Å; H1236-R1247 HydrophobicContact CB-CB 4.15Å; H1236-R1247 PolarHBondContact N-O 3.26Å; H1236-R1247 PolarHBondContact O-N 2.78Å
1248I88.6Confident72Confident0 Ų066.4 Ų66.40%034%0.341CS..EExtended strand (participates in β ladder)trans-108.8126.7173.9-54.8179.9000108.4M1201 L1202 I1204 I1225 L1233 I1234 M1246 L1282M1201-I1248 WeakPolarHBondContact CA-O 3.36Å; L1202-I1248 HydrophobicContact CB-CB 4.29Å; L1202-I1248 HydrophobicContact CD2-CD1 4.4Å; L1202-I1248 PolarHBondContact N-O 2.63Å; L1202-I1248 PolarHBondContact O-N 3.15Å; I1204-I1248 HydrophobicContact CD1-CD1 3.98Å; I1225-I1248 HydrophobicContact CD1-CD1 4.39Å; I1225-I1248 HydrophobicContact CG2-CD1 4.49Å; L1233-I1248 HydrophobicContact CB-CG2 3.98Å; L1233-I1248 HydrophobicContact CD1-CG2 4.14Å; L1233-I1248 HydrophobicContact CD2-CG2 3.97Å; L1233-I1248 HydrophobicContact CG-CG2 4.26Å; I1234-I1248 VanDerWaalsContact O-CA 3.31Å; I1234-I1248 WeakPolarHBondContact O-CA 3.36Å; M1246-I1248 HydrophobicContact CE-CD1 3.88Å; M1246-I1248 HydrophobicContact CE-CG1 4.14Å; M1246-I1248 HydrophobicContact CG-CG1 4.49Å; I1248-L1282 HydrophobicContact CD1-CD1 3.46Å; I1248-L1282 VanDerWaalsContact CD1-CD1 3.46Å
1249R86.4Confident70.6Confident2 Ų272.2 Ų72.21%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-124.8153.1170.9-68-169.5177.6-131.811110.2D1168 I1197 S1198 M1201 L1233 I1234D1168-R1249 VanDerWaalsContact CB-NH2 3.34Å; D1168-R1249 VanDerWaalsContact O-CZ 3.29Å; D1168-R1249 PolarHBondContact O-NH1 2.77Å; D1168-R1249 PolarHBondContact O-NH2 3.16Å; D1168-R1249 IonicContact OD2-CZ 2.72Å; D1168-R1249 IonicContact OD2-NH2 3.8Å; D1168-R1249 PolarHBondContact OD2-NH2 2.92Å; I1197-R1249 HydrophobicContact CG2-CB 3.74Å; I1197-R1249 HydrophobicContact CG2-CG 4.19Å; S1198-R1249 PolarHBondContact O-NH1 2.96Å; M1201-R1249 HydrophobicContact CB-CG 3.87Å; M1201-R1249 HydrophobicContact CG-CG 3.74Å; L1233-R1249 WeakPolarHBondContact CA-O 3.45Å; I1234-R1249 PolarHBondContact N-O 3Å; I1234-R1249 PolarHBondContact O-N 3.28Å
1250I83.1Confident69.5Low11 Ų1175 Ų756%0.05637%0.372CS..EExtended strand (participates in β ladder)trans-86.2138.4177.3-61.6156000109.7S1198 D1232 L1233 F1274 L1275S1198-I1250 PolarHBondContact N-O 3.04Å; D1232-I1250 WeakPolarHBondContact O-CA 3.32Å; L1233-I1250 HydrophobicContact CD2-CG1 3.99Å; I1250-F1274 HydrophobicContact CD1-CD1 3.68Å; I1250-F1274 HydrophobicContact CD1-CE1 4.16Å; I1250-F1274 HydrophobicContact CG1-CD1 4.45Å; I1250-F1274 HydrophobicContact CG1-CE1 4.46Å; I1250-L1275 HydrophobicContact CD1-CD1 4.17Å; I1250-L1275 HydrophobicContact CD1-CD2 3.96Å; I1250-L1275 HydrophobicContact CD1-CG 3.73Å; I1250-L1275 HydrophobicContact CG1-CD2 4.21Å
1251M76.4Confident68.6Low37 Ų3778.8 Ų78.818%0.18239%0.393CS..EExtended strand (participates in β ladder)trans-87.5112.1168.3-92-83.7-125.100110.7F1192 A1196 D1232 I1234 S1253F1192-M1251 HydrophobicContact CB-CE 4.02Å; A1196-M1251 HydrophobicContact CB-SD 4.21Å; D1232-M1251 PolarHBondContact O-N 3.26Å; I1234-M1251 HydrophobicContact CD1-CE 4.03Å; I1234-M1251 HydrophobicContact CD1-CG 3.57Å; I1234-M1251 HydrophobicContact CD1-SD 3.88Å; I1234-M1251 HydrophobicContact CG1-CG 3.69Å; M1251-S1253 PolarHBondContact O-N 3.07Å; M1251-S1253 VanDerWaalsContact O-N 3.14Å
1252N68Low67.5Low83 Ų8374.3 Ų74.344%0.44438%0.376SS..  trans-85.258.5171.9-64.8-13.1000110.3A1196A1196-N1252 WeakPolarHBondContact O-CA 3.42Å; A1196-N1252 WeakPolarHBondContact O-CB 3.31Å; A1196-N1252 PolarHBondContact O-N 2.97Å
1253S55.5Low65.9Low62 Ų6278.8 Ų78.843%0.43440%0.4SS..  trans-10813117750.40000112M1251 L1255M1251-S1253 PolarHBondContact O-N 3.07Å; M1251-S1253 VanDerWaalsContact O-N 3.14Å; S1253-L1255 PolarHBondContact O-N 2.93Å
1254D53.5Low64.5Low110 Ų11079.5 Ų79.559%0.58841%0.413SS*.SBendtrans53.2-10177-75.8-42.8000120.5E1256 K1257D1254-E1256 PolarHBondContact O-N 2.8Å; D1254-E1256 VanDerWaalsContact O-N 3.09Å; D1254-K1257 PolarHBondContact O-N 3.31Å; D1254-K1257 IonicContact OD1-NZ 3.68Å; D1254-K1257 PolarHBondContact OD1-NZ 3.06Å
1255L51Low62.5Low97 Ų9786 Ų8651%0.50845%0.454SS..Hα-helixtrans-53-34.8177-74.2166.1000113.9S1253 K1257 D1258 F1259S1253-L1255 PolarHBondContact O-N 2.93Å; L1255-K1257 PolarHBondContact O-N 2.79Å; L1255-K1257 VanDerWaalsContact O-N 3.17Å; L1255-D1258 PolarHBondContact O-N 3.49Å; L1255-F1259 HydrophobicContact CB-CD2 4.15Å; L1255-F1259 HydrophobicContact CB-CE2 4.01Å; L1255-F1259 HydrophobicContact CD2-CE2 3.78Å; L1255-F1259 HydrophobicContact CD2-CZ 4.36Å; L1255-F1259 HydrophobicContact CG-CE2 4.39Å; L1255-F1259 WeakPolarHBondContact O-CD2 3.11Å; L1255-F1259 PolarHBondContact O-N 3.25Å
1256E49.1Very low60.4Low172 Ų17290 Ų9080%0.80448%0.482SS*.Hα-helixtrans-66.1-13.5178.7-69.4-155139.800115.3D1254D1254-E1256 PolarHBondContact O-N 2.8Å; D1254-E1256 VanDerWaalsContact O-N 3.09Å
1257K48.4Very low58.6Low142 Ų14297.5 Ų97.562%0.61752%0.521SS*.Hα-helixtrans-89.3-42.2176.7-71.6175.2-168.61450112.3D1254 L1255D1254-K1257 PolarHBondContact O-N 3.31Å; D1254-K1257 IonicContact OD1-NZ 3.68Å; D1254-K1257 PolarHBondContact OD1-NZ 3.06Å; L1255-K1257 PolarHBondContact O-N 2.79Å; L1255-K1257 VanDerWaalsContact O-N 3.17Å
1258D50.4Low56.9Low133 Ų133106.8 Ų106.871%0.71156%0.562SS**Hα-helixtrans-79.7-23.6-176-70.5-11000112.9L1255 K1260L1255-D1258 PolarHBondContact O-N 3.49Å; D1258-K1260 PolarHBondContact O-N 3.4Å
1259F52.6Low55.6Low131 Ų131111.5 Ų111.558%0.57559%0.585SS**THydrogen-bonded Turntrans-72.6-1.3176.6-80.4-56.3000115.5L1255L1255-F1259 HydrophobicContact CB-CD2 4.15Å; L1255-F1259 HydrophobicContact CB-CE2 4.01Å; L1255-F1259 HydrophobicContact CD2-CE2 3.78Å; L1255-F1259 HydrophobicContact CD2-CZ 4.36Å; L1255-F1259 HydrophobicContact CG-CE2 4.39Å; L1255-F1259 WeakPolarHBondContact O-CD2 3.11Å; L1255-F1259 PolarHBondContact O-N 3.25Å
1260K49.2Very low54.7Low180 Ų180118.1 Ų118.178%0.78362%0.616SS**THydrogen-bonded Turntrans-83.3-16.8177.9-80.7-179.7178.7168.50115D1258D1258-K1260 PolarHBondContact O-N 3.4Å
1261D52Low54.1Low160 Ų160120.3 Ų120.386%0.85663%0.628SS**SBendtrans-106.92.9-177.7-70.8-26.5000113.6
1262A49.1Very low53.9Low54 Ų54119.7 Ų119.745%0.44663%0.625SS.*  trans-109.170.8-175.200000112.9T1264A1262-T1264 PolarHBondContact O-N 2.75Å
1263D39.4Very low54.4Low170 Ų170118.1 Ų118.191%0.90962%0.619SS**  trans-75.451.4-173.4-149.413.5000113.8
1264T49Very low55.6Low107 Ų107119.2 Ų119.266%0.65662%0.616SS**SBendtrans-143.189.3-177.128.80000113.8A1262 S1266A1262-T1264 PolarHBondContact O-N 2.75Å; T1264-S1266 PolarHBondContact O-N 2.93Å
1265T44.3Very low56.9Low152 Ų152114 Ų11493%0.93359%0.588SS**  trans46.446146610000117.8
1266S44.7Very low58.4Low84 Ų84115.7 Ų115.759%0.58759%0.588SS**  trans-107.7108.1161.456.60000109.1T1264T1264-S1266 PolarHBondContact O-N 2.93Å
1267D51.3Low60.1Low156 Ų156113.4 Ų113.483%0.83458%0.575SS**  trans-51.2141.3165.7-70-48.6000109.1M1269D1267-M1269 PolarHBondContact O-N 3.17Å
1268K53.4Low61.8Low200 Ų200106.9 Ų106.987%0.8755%0.547SS*.  trans-65.488.8168.8-73.3-171.6174-165.80107.9E1270K1268-E1270 PolarHBondContact O-N 2.92Å; K1268-E1270 VanDerWaalsContact O-N 3.09Å
1269M61Low63.5Low99 Ų99102.5 Ų102.549%0.48852%0.522SS..  trans-60.6112.4177.8-170.2168.2-179.200107.6D1267 D1271 T1273 F1274 F1277D1267-M1269 PolarHBondContact O-N 3.17Å; M1269-D1271 PolarHBondContact O-N 3.36Å; M1269-T1273 WeakPolarHBondContact CE-O 3.33Å; M1269-T1273 WeakPolarHBondContact CG-OG1 3.33Å; M1269-F1274 HydrophobicContact CG-CB 4.37Å; M1269-F1274 HydrophobicContact SD-CD2 4.42Å; M1269-F1277 HydrophobicContact CE-CB 4.01Å
1270E67.7Low65.1Low140 Ų14098.7 Ų98.765%0.65452%0.515SS*.  trans-57.8137.4-175.8-61.9179.7157.900109.4K1268 D1272 T1273 F1274K1268-E1270 PolarHBondContact O-N 2.92Å; K1268-E1270 VanDerWaalsContact O-N 3.09Å; E1270-D1272 PolarHBondContact O-N 3.23Å; E1270-T1273 PolarHBondContact N-OG1 3.46Å; E1270-T1273 WeakPolarHBondContact O-CA 3.36Å; E1270-T1273 PolarHBondContact O-N 3.18Å; E1270-T1273 PolarHBondContact O-OG1 3.29Å; E1270-F1274 PolarHBondContact O-N 2.78Å
1271D69.6Low66.8Low57 Ų5792.3 Ų92.331%0.30549%0.49SS..Hα-helixtrans-46.9-34.6-174.9-76.329.6000113.4S1198 W1200 M1269 F1274 L1275S1198-D1271 PolarHBondContact OG-OD2 3.43Å; W1200-D1271 HydrophobicContact CG-CB 4.1Å; M1269-D1271 PolarHBondContact O-N 3.36Å; D1271-F1274 PolarHBondContact O-N 3.43Å; D1271-L1275 WeakPolarHBondContact O-CB 3.38Å; D1271-L1275 WeakPolarHBondContact O-CG 3.43Å; D1271-L1275 PolarHBondContact O-N 2.99Å
1272D73.6Confident68.4Low25 Ų2584.7 Ų84.713%0.13445%0.449CS..Hα-helixtrans-70.3-39.3178.186.2-48.5000112.7W1200 E1270 L1275 R1276W1200-D1272 HydrophobicContact CD2-CB 4.29Å; W1200-D1272 HydrophobicContact CE3-CB 4.3Å; W1200-D1272 HydrophobicContact CH2-CB 4.02Å; W1200-D1272 HydrophobicContact CZ2-CB 4.01Å; W1200-D1272 HydrophobicContact CZ3-CB 4.17Å; E1270-D1272 PolarHBondContact O-N 3.23Å; D1272-L1275 PolarHBondContact O-N 3.19Å; D1272-R1276 WeakPolarHBondContact O-CG 3.44Å; D1272-R1276 PolarHBondContact O-N 3.24Å; D1272-R1276 IonicContact OD2-CZ 2.65Å; D1272-R1276 VanDerWaalsContact OD2-CZ 3.29Å; D1272-R1276 IonicContact OD2-NH1 3.72Å; D1272-R1276 PolarHBondContact OD2-NH1 3.35Å; D1272-R1276 IonicContact OD2-NH2 2.58Å; D1272-R1276 PolarHBondContact OD2-NH2 2.83Å
1273T78.2Confident70.1Confident49 Ų4983 Ų8330%0.30143%0.432SS..Hα-helixtrans-68.6-37.5173.759.90000111.4M1269 E1270 R1276 F1277M1269-T1273 WeakPolarHBondContact CE-O 3.33Å; M1269-T1273 WeakPolarHBondContact CG-OG1 3.33Å; E1270-T1273 PolarHBondContact N-OG1 3.46Å; E1270-T1273 WeakPolarHBondContact O-CA 3.36Å; E1270-T1273 PolarHBondContact O-N 3.18Å; E1270-T1273 PolarHBondContact O-OG1 3.29Å; T1273-R1276 PolarHBondContact O-N 3.31Å; T1273-F1277 PolarHBondContact O-N 3.27Å
1274F79.3Confident72.3Confident85 Ų8578 Ų7837%0.37341%0.408SS..Hα-helixtrans-65.6-44.4173.4-173.7-124.1000111.3I1250 M1269 E1270 D1271 R1276 F1277 I1278I1250-F1274 HydrophobicContact CD1-CD1 3.68Å; I1250-F1274 HydrophobicContact CD1-CE1 4.16Å; I1250-F1274 HydrophobicContact CG1-CD1 4.45Å; I1250-F1274 HydrophobicContact CG1-CE1 4.46Å; M1269-F1274 HydrophobicContact CG-CB 4.37Å; M1269-F1274 HydrophobicContact SD-CD2 4.42Å; E1270-F1274 PolarHBondContact O-N 2.78Å; D1271-F1274 PolarHBondContact O-N 3.43Å; F1274-R1276 PolarHBondContact O-N 3.23Å; F1274-F1277 WeakPolarHBondContact O-CB 3.07Å; F1274-F1277 PolarHBondContact O-N 3.43Å; F1274-F1277 VanDerWaalsContact O-N 3.17Å; F1274-I1278 HydrophobicContact CD1-CD1 3.61Å; F1274-I1278 HydrophobicContact CD2-CD1 4.29Å; F1274-I1278 HydrophobicContact CE1-CD1 3.39Å; F1274-I1278 HydrophobicContact CE1-CG1 4.48Å; F1274-I1278 HydrophobicContact CE2-CD1 4.1Å; F1274-I1278 HydrophobicContact CE2-CG1 4.4Å; F1274-I1278 HydrophobicContact CG-CD1 4.06Å; F1274-I1278 HydrophobicContact CZ-CD1 3.65Å; F1274-I1278 HydrophobicContact CZ-CG1 4.32Å; F1274-I1278 WeakPolarHBondContact O-CG1 3.45Å; F1274-I1278 PolarHBondContact O-N 2.9Å
1275L81.2Confident73.8Confident0 Ų078.1 Ų78.10%040%0.404CS..Hα-helixtrans-63.1-38.1174.2-81.3165.4000113.6I1165 W1200 L1202 I1250 D1271 D1272 F1277 I1278 E1279I1165-L1275 HydrophobicContact CD1-CB 4.28Å; W1200-L1275 HydrophobicContact CB-CD1 3.24Å; W1200-L1275 HydrophobicContact CG-CD1 4.23Å; L1202-L1275 HydrophobicContact CB-CD2 4.16Å; I1250-L1275 HydrophobicContact CD1-CD1 4.17Å; I1250-L1275 HydrophobicContact CD1-CD2 3.96Å; I1250-L1275 HydrophobicContact CD1-CG 3.73Å; I1250-L1275 HydrophobicContact CG1-CD2 4.21Å; D1271-L1275 WeakPolarHBondContact O-CB 3.38Å; D1271-L1275 WeakPolarHBondContact O-CG 3.43Å; D1271-L1275 PolarHBondContact O-N 2.99Å; D1272-L1275 PolarHBondContact O-N 3.19Å; L1275-F1277 VanDerWaalsContact C-N 3.34Å; L1275-I1278 PolarHBondContact O-N 3.3Å; L1275-E1279 VanDerWaalsContact O-CB 3.28Å; L1275-E1279 WeakPolarHBondContact O-CB 3.49Å; L1275-E1279 PolarHBondContact O-N 2.87Å
1276R83.6Confident75.7Confident134 Ų13471.6 Ų71.651%0.50636%0.364SS..Hα-helixtrans-64.7-36.8172.4-76.1-177.5-170.6114.811112.6I1165 D1272 T1273 F1274 A1280I1165-R1276 HydrophobicContact CD1-CG 3.61Å; D1272-R1276 WeakPolarHBondContact O-CG 3.44Å; D1272-R1276 PolarHBondContact O-N 3.24Å; D1272-R1276 IonicContact OD2-CZ 2.65Å; D1272-R1276 VanDerWaalsContact OD2-CZ 3.29Å; D1272-R1276 IonicContact OD2-NH1 3.72Å; D1272-R1276 PolarHBondContact OD2-NH1 3.35Å; D1272-R1276 IonicContact OD2-NH2 2.58Å; D1272-R1276 PolarHBondContact OD2-NH2 2.83Å; T1273-R1276 PolarHBondContact O-N 3.31Å; F1274-R1276 PolarHBondContact O-N 3.23Å; R1276-A1280 PolarHBondContact O-N 3.43Å; R1276-A1280 VanDerWaalsContact O-N 3.13Å
1277F83.8Confident77.7Confident124 Ų12470.6 Ų70.654%0.54435%0.354SS..Hα-helixtrans-67.5-44.8175.3179.4-98.9000111.2M1269 T1273 F1274 L1275 A1280 N1281M1269-F1277 HydrophobicContact CE-CB 4.01Å; T1273-F1277 PolarHBondContact O-N 3.27Å; F1274-F1277 WeakPolarHBondContact O-CB 3.07Å; F1274-F1277 PolarHBondContact O-N 3.43Å; F1274-F1277 VanDerWaalsContact O-N 3.17Å; L1275-F1277 VanDerWaalsContact C-N 3.34Å; F1277-A1280 PolarHBondContact O-N 3.01Å; F1277-N1281 WeakPolarHBondContact O-CB 3.42Å; F1277-N1281 PolarHBondContact O-N 2.97Å; F1277-N1281 VanDerWaalsContact O-N 3.14Å
1278I84Confident79.4Confident4 Ų463.3 Ų63.32%0.02132%0.315CS..Hα-helixtrans-58.9-49.9172.7-71.5161.5000110.4L1233 F1274 L1275 A1280 N1281 L1282L1233-I1278 HydrophobicContact CD1-CG2 4.02Å; L1233-I1278 HydrophobicContact CD2-CD1 4.09Å; F1274-I1278 HydrophobicContact CD1-CD1 3.61Å; F1274-I1278 HydrophobicContact CD2-CD1 4.29Å; F1274-I1278 HydrophobicContact CE1-CD1 3.39Å; F1274-I1278 HydrophobicContact CE1-CG1 4.48Å; F1274-I1278 HydrophobicContact CE2-CD1 4.1Å; F1274-I1278 HydrophobicContact CE2-CG1 4.4Å; F1274-I1278 HydrophobicContact CG-CD1 4.06Å; F1274-I1278 HydrophobicContact CZ-CD1 3.65Å; F1274-I1278 HydrophobicContact CZ-CG1 4.32Å; F1274-I1278 WeakPolarHBondContact O-CG1 3.45Å; F1274-I1278 PolarHBondContact O-N 2.9Å; L1275-I1278 PolarHBondContact O-N 3.3Å; I1278-A1280 VanDerWaalsContact C-N 3.32Å; I1278-A1280 PolarHBondContact O-N 3.16Å; I1278-N1281 PolarHBondContact O-N 3.09Å; I1278-N1281 VanDerWaalsContact O-N 3.07Å; I1278-L1282 HydrophobicContact CG2-CD1 3.56Å; I1278-L1282 HydrophobicContact CG2-CD2 4.36Å; I1278-L1282 HydrophobicContact CG2-CG 3.69Å; I1278-L1282 WeakPolarHBondContact O-CB 3.48Å; I1278-L1282 VanDerWaalsContact O-CG 3.25Å; I1278-L1282 WeakPolarHBondContact O-CG 3.33Å; I1278-L1282 PolarHBondContact O-N 2.88Å
1279E86Confident81Confident41 Ų4156.2 Ų56.219%0.19229%0.285CS..Hα-helixtrans-51.7-49.1178-178.4-167.8-175.700111.8T1163 L1202 L1275 N1281 L1283T1163-E1279 WeakPolarHBondContact CB-OE1 3.43Å; T1163-E1279 HydrophobicContact CG2-CG 4.4Å; T1163-E1279 PolarHBondContact OG1-OE1 3.4Å; L1202-E1279 HydrophobicContact CD1-CB 4.49Å; L1202-E1279 HydrophobicContact CD1-CG 4.24Å; L1202-E1279 HydrophobicContact CD2-CB 4.08Å; L1202-E1279 HydrophobicContact CD2-CG 4.45Å; L1275-E1279 VanDerWaalsContact O-CB 3.28Å; L1275-E1279 WeakPolarHBondContact O-CB 3.49Å; L1275-E1279 PolarHBondContact O-N 2.87Å; E1279-N1281 VanDerWaalsContact C-N 3.34Å; E1279-N1281 PolarHBondContact O-N 3.41Å; E1279-L1283 HydrophobicContact CG-CD1 4.14Å; E1279-L1283 WeakPolarHBondContact O-CB 3.25Å; E1279-L1283 VanDerWaalsContact O-CG 3.24Å; E1279-L1283 WeakPolarHBondContact O-CG 3.18Å; E1279-L1283 PolarHBondContact O-N 3.21Å; E1279-L1283 VanDerWaalsContact O-N 3.14Å
1280A85.8Confident82.3Confident52 Ų5252.5 Ų52.543%0.4327%0.272SS..Hα-helixtrans-60.4-44178.600000112.1R1276 F1277 I1278 T1284R1276-A1280 PolarHBondContact O-N 3.43Å; R1276-A1280 VanDerWaalsContact O-N 3.13Å; F1277-A1280 PolarHBondContact O-N 3.01Å; I1278-A1280 VanDerWaalsContact C-N 3.32Å; I1278-A1280 PolarHBondContact O-N 3.16Å; A1280-T1284 PolarHBondContact O-N 3.08Å; A1280-T1284 PolarHBondContact O-OG1 2.86Å; A1280-T1284 VanDerWaalsContact O-OG1 3.14Å
1281N85.3Confident83.4Confident46 Ų4646.5 Ų46.525%0.24625%0.245CC..Hα-helixtrans-69.7-49.5-178.6-170-29000112F1277 I1278 E1279 L1283 T1284 D1285F1277-N1281 WeakPolarHBondContact O-CB 3.42Å; F1277-N1281 PolarHBondContact O-N 2.97Å; F1277-N1281 VanDerWaalsContact O-N 3.14Å; I1278-N1281 PolarHBondContact O-N 3.09Å; I1278-N1281 VanDerWaalsContact O-N 3.07Å; E1279-N1281 VanDerWaalsContact C-N 3.34Å; E1279-N1281 PolarHBondContact O-N 3.41Å; N1281-L1283 PolarHBondContact O-N 3.28Å; N1281-T1284 PolarHBondContact O-N 3.15Å; N1281-D1285 PolarHBondContact O-N 3.29Å
1282L85.9Confident84.3Confident0 Ų046.4 Ų46.40%025%0.247CC..Hα-helixtrans-50.1-42.3173.1-71.2179.1000111.8L1156 L1202 I1204 I1225 F1229 I1248 I1278 I1286L1156-L1282 VanDerWaalsContact CB-O 3.3Å; L1156-L1282 WeakPolarHBondContact CB-O 3.3Å; L1156-L1282 HydrophobicContact CD2-CB 3.94Å; L1156-L1282 WeakPolarHBondContact CD2-O 3.24Å; L1202-L1282 HydrophobicContact CD2-CD1 3.87Å; I1204-L1282 HydrophobicContact CD1-CD1 4.45Å; I1225-L1282 HydrophobicContact CG1-CD2 4.34Å; I1225-L1282 HydrophobicContact CG2-CD2 3.99Å; F1229-L1282 HydrophobicContact CD2-CD2 4.09Å; F1229-L1282 HydrophobicContact CE2-CD2 3.58Å; F1229-L1282 HydrophobicContact CZ-CD2 4.04Å; I1248-L1282 HydrophobicContact CD1-CD1 3.46Å; I1248-L1282 VanDerWaalsContact CD1-CD1 3.46Å; I1278-L1282 HydrophobicContact CG2-CD1 3.56Å; I1278-L1282 HydrophobicContact CG2-CD2 4.36Å; I1278-L1282 HydrophobicContact CG2-CG 3.69Å; I1278-L1282 WeakPolarHBondContact O-CB 3.48Å; I1278-L1282 VanDerWaalsContact O-CG 3.25Å; I1278-L1282 WeakPolarHBondContact O-CG 3.33Å; I1278-L1282 PolarHBondContact O-N 2.88Å; L1282-I1286 HydrophobicContact CD2-CD1 3.46Å; L1282-I1286 VanDerWaalsContact CD2-CD1 3.46Å
1283L85.9Confident85Confident18 Ų1849.9 Ų49.99%0.09426%0.262CS..Hα-helixtrans-73.5-28.5-178.6-73173.6000114.1L1156 R1157 V1160 T1163 E1279 N1281L1156-L1283 HydrophobicContact CD2-CD2 4.34Å; L1156-L1283 HydrophobicContact CG-CD2 4.42Å; R1157-L1283 HydrophobicContact CB-CB 4.37Å; R1157-L1283 HydrophobicContact CB-CD2 4.38Å; R1157-L1283 WeakPolarHBondContact CB-O 3.33Å; R1157-L1283 PolarHBondContact N-O 3.4Å; V1160-L1283 HydrophobicContact CB-CD2 4.27Å; V1160-L1283 HydrophobicContact CG1-CD2 4.44Å; V1160-L1283 HydrophobicContact CG2-CD2 4.1Å; T1163-L1283 HydrophobicContact CG2-CD1 4.39Å; E1279-L1283 HydrophobicContact CG-CD1 4.14Å; E1279-L1283 WeakPolarHBondContact O-CB 3.25Å; E1279-L1283 VanDerWaalsContact O-CG 3.24Å; E1279-L1283 WeakPolarHBondContact O-CG 3.18Å; E1279-L1283 PolarHBondContact O-N 3.21Å; E1279-L1283 VanDerWaalsContact O-N 3.14Å; N1281-L1283 PolarHBondContact O-N 3.28Å
1284T84.1Confident85.5Confident64 Ų6447.5 Ų47.539%0.39325%0.248SC..Hα-helixtrans-104.1-44.6-174.156.90000114.3A1280 N1281A1280-T1284 PolarHBondContact O-N 3.08Å; A1280-T1284 PolarHBondContact O-OG1 2.86Å; A1280-T1284 VanDerWaalsContact O-OG1 3.14Å; N1281-T1284 PolarHBondContact O-N 3.15Å
1285D81.5Confident85.8Confident110 Ų11046.6 Ų46.659%0.58825%0.249SC*.THydrogen-bonded Turntrans-99.9-23.5-161.2-63.51.8000112.3N1281 T1287N1281-D1285 PolarHBondContact O-N 3.29Å; D1285-T1287 PolarHBondContact O-N 3.38Å
1286I84.3Confident85.9Confident15 Ų1549.6 Ų49.68%0.07726%0.262CS..  trans-68.3117.4175.5-62.4-172.6000111T1155 I1225 F1229 L1282 L1288T1155-I1286 WeakPolarHBondContact CA-O 3.33Å; I1225-I1286 HydrophobicContact CB-CD1 4.49Å; I1225-I1286 HydrophobicContact CG1-CD1 3.7Å; F1229-I1286 HydrophobicContact CE2-CD1 4.05Å; F1229-I1286 HydrophobicContact CE2-CG1 4.49Å; L1282-I1286 HydrophobicContact CD2-CD1 3.46Å; L1282-I1286 VanDerWaalsContact CD2-CD1 3.46Å; I1286-L1288 HydrophobicContact CG2-CD2 3.76Å; I1286-L1288 HydrophobicContact CG2-CG 4.33Å
1287T86.9Confident86.1Confident64 Ų6443.6 Ų43.639%0.39324%0.24SC..EExtended strand (participates in β ladder)trans-88.7104.417266.20000110K1224 D1285 P1292K1224-T1287 PolarHBondContact NZ-O 2.72Å; D1285-T1287 PolarHBondContact O-N 3.38Å; T1287-P1292 HydrophobicContact CG2-CG 4.17Å
1288L86.5Confident86.1Confident2 Ų241.1 Ų41.11%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-76.8-50.7-179.6-64.1177.9000111.5T1154 L1156 L1159 L1216 I1221 K1224 I1286T1154-L1288 HydrophobicContact CG2-CB 4.4Å; T1154-L1288 WeakPolarHBondContact O-CB 3.47Å; T1154-L1288 PolarHBondContact O-N 2.79Å; L1156-L1288 HydrophobicContact CB-CD1 4.4Å; L1156-L1288 HydrophobicContact CD1-CD1 3.99Å; L1159-L1288 HydrophobicContact CD1-CD1 3.41Å; L1159-L1288 VanDerWaalsContact CD1-CD1 3.41Å; L1216-L1288 HydrophobicContact CD1-CB 4.46Å; I1221-L1288 HydrophobicContact CB-CD2 4.49Å; I1221-L1288 HydrophobicContact CD1-CD1 4.2Å; I1221-L1288 HydrophobicContact CG1-CD1 4.24Å; I1221-L1288 HydrophobicContact CG1-CD2 4.2Å; I1221-L1288 HydrophobicContact CG2-CD2 4.19Å; K1224-L1288 HydrophobicContact CB-CD2 4.35Å; K1224-L1288 HydrophobicContact CD-CD2 4.3Å; K1224-L1288 WeakPolarHBondContact CD-O 3.43Å; K1224-L1288 VanDerWaalsContact CE-O 3.22Å; K1224-L1288 WeakPolarHBondContact CE-O 3.29Å; K1224-L1288 PolarHBondContact NZ-O 2.96Å; I1286-L1288 HydrophobicContact CG2-CD2 3.76Å; I1286-L1288 HydrophobicContact CG2-CG 4.33Å
1289Q86.9Confident86.1Confident52 Ų5243.2 Ų43.224%0.24324%0.239CC..EExtended strand (participates in β ladder)trans-149.5171.2168.8-71.9-174.811.800109.4T1154 L1216T1154-Q1289 PolarHBondContact N-O 2.93Å; L1216-Q1289 HydrophobicContact CD2-CG 4Å
1290G88.2Confident85.7Confident21 Ų2143.4 Ų43.422%0.21624%0.239CC..SBendtrans87.1167.917700000116R1150 L1151 E1152R1150-G1290 VanDerWaalsContact O-CA 3.24Å; R1150-G1290 WeakPolarHBondContact O-CA 3.47Å; L1151-G1290 WeakPolarHBondContact O-CA 3.48Å; E1152-G1290 WeakPolarHBondContact O-CA 3.38Å
1291I90.5Very high85.6Confident14 Ų1444.8 Ų44.87%0.07224%0.239CC..BIsolated β-bridgetrans-95.1122.2178.7-62.1169.6000108.8L1151 H1153 Q1293 I1294 C1332 R1335 V1336L1151-I1291 HydrophobicContact CD2-CD1 3.85Å; L1151-I1291 PolarHBondContact O-N 2.88Å; H1153-I1291 WeakPolarHBondContact CB-O 3.35Å; I1291-Q1293 PolarHBondContact O-N 3.33Å; I1291-I1294 HydrophobicContact CB-CD1 4.11Å; I1291-I1294 HydrophobicContact CB-CG1 4.3Å; I1291-I1294 HydrophobicContact CD1-CD1 4.1Å; I1291-I1294 HydrophobicContact CG2-CD1 4.41Å; I1291-I1294 HydrophobicContact CG2-CG1 4.41Å; I1291-I1294 PolarHBondContact O-N 2.87Å; I1291-C1332 HydrophobicContact CG2-CB 3.7Å; I1291-R1335 HydrophobicContact CD1-CB 3.86Å; I1291-R1335 HydrophobicContact CG1-CB 4.5Å; I1291-V1336 HydrophobicContact CD1-CG2 3.75Å
1292P88.3Confident85.2Confident54 Ų5442.9 Ų42.935%0.35123%0.229SC..THydrogen-bonded Turntrans-51.4-33.6-169-3236.8000116.9H1153 T1287 I1294H1153-P1292 PolarHBondContact CD2-O 3.02Å; T1287-P1292 HydrophobicContact CG2-CG 4.17Å; P1292-I1294 VanDerWaalsContact C-N 3.3Å; P1292-I1294 PolarHBondContact O-N 3.3Å
1293Q88.2Confident84.6Confident98 Ų9848.5 Ų48.546%0.45825%0.253SS..THydrogen-bonded Turntrans-74.3-16.4179.3-64.481.4-2.900113.9I1291 G1330 T1331 C1332I1291-Q1293 PolarHBondContact O-N 3.33Å; Q1293-G1330 WeakPolarHBondContact O-CA 3.48Å; Q1293-T1331 WeakPolarHBondContact CB-O 3.41Å; Q1293-C1332 HydrophobicContact CB-CB 4.21Å
1294I90.4Very high83.7Confident0 Ų050.2 Ų50.20%027%0.265CS..  trans-100.298.1-175.5-58.8-179.9000109H1153 I1291 P1292 V1297 T1328 C1332 V1336H1153-I1294 WeakPolarHBondContact CB-O 3.47Å; H1153-I1294 PolarHBondContact N-O 2.94Å; I1291-I1294 HydrophobicContact CB-CD1 4.11Å; I1291-I1294 HydrophobicContact CB-CG1 4.3Å; I1291-I1294 HydrophobicContact CD1-CD1 4.1Å; I1291-I1294 HydrophobicContact CG2-CD1 4.41Å; I1291-I1294 HydrophobicContact CG2-CG1 4.41Å; I1291-I1294 PolarHBondContact O-N 2.87Å; P1292-I1294 VanDerWaalsContact C-N 3.3Å; P1292-I1294 PolarHBondContact O-N 3.3Å; I1294-V1297 HydrophobicContact CG2-CG2 3.63Å; I1294-T1328 HydrophobicContact CD1-CG2 4.49Å; I1294-T1328 HydrophobicContact CG2-CG2 4.09Å; I1294-C1332 HydrophobicContact CD1-CB 4.47Å; I1294-C1332 HydrophobicContact CG1-CB 4.48Å; I1294-V1336 HydrophobicContact CD1-CG2 3.59Å
1295T85.8Confident83Confident66 Ų6652.7 Ų52.741%0.40527%0.272SS..  trans-70.8-35.6-174.355.90000112.4K1158 D1329K1158-T1295 PolarHBondContact NZ-O 3.23Å; T1295-D1329 PolarHBondContact N-O 2.95Å; T1295-D1329 WeakPolarHBondContact OG1-CB 3.34Å; T1295-D1329 PolarHBondContact OG1-O 3.27Å; T1295-D1329 PolarHBondContact OG1-OD2 2.99Å
1296K83.3Confident82.4Confident62 Ų6253.1 Ų53.127%0.2727%0.274SS..EExtended strand (participates in β ladder)trans-156.9152-173.8-147169.4-160.3178.30112.1G720 Y1298 D1329G720-K1296 VanDerWaalsContact C-NZ 3.29Å; G720-K1296 WeakPolarHBondContact O-CE 3.36Å; G720-K1296 PolarHBondContact O-NZ 2.97Å; K1296-Y1298 HydrophobicContact CB-CE2 4.47Å; K1296-D1329 HydrophobicContact CB-CB 4.34Å; K1296-D1329 PolarHBondContact O-N 3.44Å
1297V87.4Confident82Confident8 Ų854.8 Ų54.85%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-131132.8178.5-173.90000110.1V1148 L1151 E1152 I1294 L1326 T1328V1148-V1297 HydrophobicContact CG1-CB 4.26Å; V1148-V1297 HydrophobicContact CG2-CG1 4.15Å; L1151-V1297 HydrophobicContact CB-CG2 4.04Å; E1152-V1297 HydrophobicContact CB-CG2 4.16Å; I1294-V1297 HydrophobicContact CG2-CG2 3.63Å; V1297-L1326 HydrophobicContact CG1-CB 3.76Å; V1297-L1326 HydrophobicContact CG1-CD1 4.04Å; V1297-L1326 HydrophobicContact CG1-CD2 4.29Å; V1297-L1326 HydrophobicContact CG1-CG 4.25Å; V1297-T1328 HydrophobicContact CG1-CG2 4.48Å; V1297-T1328 HydrophobicContact CG2-CG2 4.28Å
1298Y82.2Confident81.8Confident72 Ų7254.4 Ų54.428%0.28227%0.274SS..EExtended strand (participates in β ladder)trans-110.2111.3-176-63.9-95.2000110.6G720 K1296 L1326 E1327 D1329G720-Y1298 WeakPolarHBondContact O-CE1 3.26Å; G720-Y1298 PolarHBondContact O-OH 3.2Å; K1296-Y1298 HydrophobicContact CB-CE2 4.47Å; Y1298-L1326 CarbonylContact O-C 3.53Å; Y1298-L1326 WeakPolarHBondContact O-CA 3.37Å; Y1298-E1327 WeakPolarHBondContact CB-O 3.25Å; Y1298-E1327 WeakPolarHBondContact CD2-O 3.41Å; Y1298-E1327 PolarHBondContact N-O 2.95Å; Y1298-E1327 PolarHBondContact O-N 3.49Å; Y1298-D1329 HydrophobicContact CE2-CB 4.4Å
1299M84.9Confident81.5Confident49 Ų4959.4 Ų59.424%0.24129%0.293CS..EExtended strand (participates in β ladder)trans-81.9127.2173.4179.6-179.277.100110.8T1144 W1324 L1326T1144-M1299 HydrophobicContact CG2-CB 4.45Å; T1144-M1299 HydrophobicContact CG2-CG 3.63Å; T1144-M1299 HydrophobicContact CG2-SD 3.36Å; T1144-M1299 WeakPolarHBondContact CG2-SD 3.48Å; M1299-W1324 HydrophobicContact CE-CE3 4.27Å; M1299-W1324 HydrophobicContact CE-CH2 4.07Å; M1299-W1324 HydrophobicContact CE-CZ3 3.79Å; M1299-W1324 HydrophobicContact CG-CD2 4.31Å; M1299-W1324 HydrophobicContact CG-CE3 3.42Å; M1299-W1324 VanDerWaalsContact CG-CE3 3.42Å; M1299-W1324 HydrophobicContact CG-CZ3 3.71Å; M1299-W1324 HydrophobicContact SD-CD2 4.35Å; M1299-W1324 HydrophobicContact SD-CE3 3.89Å; M1299-W1324 HydrophobicContact SD-CZ3 4.04Å; M1299-L1326 HydrophobicContact CB-CD2 3.91Å; M1299-L1326 HydrophobicContact CG-CD2 4.21Å
1300H77.6Confident81.3Confident45 Ų4558.9 Ų58.921%0.20829%0.293CS..EExtended strand (participates in β ladder)trans-148.9160.3175.868.4-74.6000113.4M1325 E1327H1300-M1325 PolarHBondContact N-O 3.47Å; H1300-M1325 PolarHBondContact ND1-O 2.84Å; H1300-M1325 PolarHBondContact NE2-SD 3.14Å; H1300-M1325 WeakPolarHBondContact O-CG 3.29Å; H1300-M1325 PolarHBondContact O-N 3.27Å; H1300-M1325 VanDerWaalsContact O-N 3.11Å; H1300-E1327 IonicContact CE1-OE1 2.81Å; H1300-E1327 PolarHBondContact CE1-OE1 3.35Å; H1300-E1327 IonicContact CE1-OE2 2.96Å; H1300-E1327 IonicContact NE2-OE1 3.7Å
1301L84.1Confident81Confident80 Ų8060.4 Ų60.442%0.41930%0.298SS..  trans-98.3131.9168.2-74.5166.1000109.6K1303 A1322 W1324L1301-K1303 PolarHBondContact O-N 3.18Å; L1301-A1322 HydrophobicContact CD2-CB 4.46Å; L1301-W1324 HydrophobicContact CD1-CH2 3.86Å; L1301-W1324 HydrophobicContact CD1-CZ2 3.87Å; L1301-W1324 HydrophobicContact CD1-CZ3 4.21Å; L1301-W1324 HydrophobicContact CD2-CD2 3.82Å; L1301-W1324 HydrophobicContact CD2-CE3 4.09Å; L1301-W1324 HydrophobicContact CD2-CG 4.11Å; L1301-W1324 HydrophobicContact CD2-CZ2 4.49Å; L1301-W1324 HydrophobicContact CG-CD2 3.94Å; L1301-W1324 HydrophobicContact CG-CE3 3.76Å; L1301-W1324 HydrophobicContact CG-CH2 3.94Å; L1301-W1324 HydrophobicContact CG-CZ2 4.09Å; L1301-W1324 HydrophobicContact CG-CZ3 3.77Å
1302P77.4Confident80.7Confident6 Ų663.4 Ų63.44%0.03931%0.313CS..  trans-70.4122.9-178.224.5-30.5000112K1307 K1308 E1323 M1325P1302-K1307 HydrophobicContact CB-CB 3.52Å; P1302-K1307 HydrophobicContact CG-CB 4.5Å; P1302-K1308 HydrophobicContact CB-CG 4.2Å; P1302-K1308 HydrophobicContact CG-CG 3.95Å; P1302-K1308 WeakPolarHBondContact O-CE 3.44Å; P1302-E1323 WeakPolarHBondContact CD-O 3.3Å; P1302-M1325 HydrophobicContact CB-SD 3.72Å; P1302-M1325 HydrophobicContact CG-SD 3.86Å
1303K71.5Confident80.7Confident118 Ų11865.5 Ų65.551%0.51332%0.317SS..  trans-81.7-37.7173.7-68.6-179.5178.8172.40112.5L1301 T1829L1301-K1303 PolarHBondContact O-N 3.18Å; K1303-T1829 PolarHBondContact NZ-OG1 3.05Å
1304T68.8Low80.6Confident54 Ų5468.8 Ų68.833%0.33134%0.337SS..SBendtrans-80.8144.5-178.356.50000110.8D1306 K1307 K1308T1304-D1306 VanDerWaalsContact C-N 3.29Å; T1304-D1306 WeakPolarHBondContact CB-OD1 3.39Å; T1304-D1306 PolarHBondContact O-N 2.99Å; T1304-D1306 PolarHBondContact OG1-OD1 3.23Å; T1304-K1307 PolarHBondContact O-N 3.17Å; T1304-K1308 PolarHBondContact O-N 3.28Å
1305Q69.4Low80.5Confident116 Ų11672.6 Ų72.654%0.54236%0.358SS..THydrogen-bonded Turntrans-69.3-26.2-172.5-66.1-176.11.500113.3K1308Q1305-K1308 PolarHBondContact O-N 2.83Å
1306D67.8Low80.5Confident120 Ų12069.5 Ų69.564%0.64234%0.339SS*.THydrogen-bonded Turntrans-67.3-33.6178.163.9-27.2000113.9T1304T1304-D1306 VanDerWaalsContact C-N 3.29Å; T1304-D1306 WeakPolarHBondContact CB-OD1 3.39Å; T1304-D1306 PolarHBondContact O-N 2.99Å; T1304-D1306 PolarHBondContact OG1-OD1 3.23Å
1307K75.4Confident80.6Confident50 Ų5067.8 Ų67.822%0.21734%0.335CS..THydrogen-bonded Turntrans-88-14.6175.2-70.6-170.3170.5-134.10113.3P1302 T1304 M1325 E1327P1302-K1307 HydrophobicContact CB-CB 3.52Å; P1302-K1307 HydrophobicContact CG-CB 4.5Å; T1304-K1307 PolarHBondContact O-N 3.17Å; K1307-M1325 HydrophobicContact CB-CE 4.48Å; K1307-M1325 HydrophobicContact CB-SD 4.11Å; K1307-M1325 HydrophobicContact CD-CE 3.88Å; K1307-M1325 HydrophobicContact CD-SD 4.24Å; K1307-M1325 HydrophobicContact CG-CE 4.45Å; K1307-E1327 IonicContact NZ-OE1 2.68Å; K1307-E1327 PolarHBondContact NZ-OE1 3.18Å
1308K82.4Confident80.4Confident55 Ų5569.4 Ų69.424%0.23934%0.342CS..SBendtrans-72.3150.3172.8-72.9-178.9-177.2-172.60110.1P1302 T1304 Q1305 V1310P1302-K1308 HydrophobicContact CB-CG 4.2Å; P1302-K1308 HydrophobicContact CG-CG 3.95Å; P1302-K1308 WeakPolarHBondContact O-CE 3.44Å; T1304-K1308 PolarHBondContact O-N 3.28Å; Q1305-K1308 PolarHBondContact O-N 2.83Å; K1308-V1310 PolarHBondContact O-N 3.25Å
1309R81.7Confident80.5Confident108 Ų10868.8 Ų68.841%0.40834%0.343SS..EExtended strand (participates in β ladder)trans-74.4115.5174.1-173.9177.4178.8168.84.5109.5V1311 T1320 V1321 E1323R1309-V1311 HydrophobicContact CG-CG2 3.89Å; R1309-T1320 WeakPolarHBondContact O-CA 3.41Å; R1309-V1321 PolarHBondContact N-O 2.76Å; R1309-V1321 PolarHBondContact O-N 3.19Å; R1309-E1323 HydrophobicContact CB-CG 4.3Å; R1309-E1323 WeakPolarHBondContact CD-OE1 3.4Å; R1309-E1323 VanDerWaalsContact CD-OE2 3.28Å; R1309-E1323 WeakPolarHBondContact CD-OE2 3.12Å; R1309-E1323 IonicContact CZ-OE1 2.69Å; R1309-E1323 IonicContact NE-OE1 3.41Å; R1309-E1323 IonicContact NH1-OE1 3.2Å; R1309-E1323 PolarHBondContact NH1-OE1 2.8Å; R1309-E1323 IonicContact NH1-OE2 3.29Å
1310V81Confident80.3Confident41 Ų4168.5 Ų68.525%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-75.1124168.5-172.10000108.3T963 K1308 F1318T963-V1310 HydrophobicContact CG2-CB 4.4Å; T963-V1310 HydrophobicContact CG2-CG1 3.75Å; T963-V1310 HydrophobicContact CG2-CG2 3.77Å; K1308-V1310 PolarHBondContact O-N 3.25Å; V1310-F1318 HydrophobicContact CG1-CD1 3.53Å; V1310-F1318 HydrophobicContact CG1-CE1 3.99Å
1311V83.4Confident80.7Confident52 Ų5268.8 Ų68.832%0.31535%0.349SS..EExtended strand (participates in β ladder)trans-124.9132.7176.4-176.60000108.1R1309 D1319 V1321R1309-V1311 HydrophobicContact CG-CG2 3.89Å; V1311-D1319 PolarHBondContact N-O 3.26Å; V1311-D1319 PolarHBondContact O-N 3.46Å; V1311-V1321 HydrophobicContact CG2-CG2 4.04Å
1312I84.3Confident80.8Confident77 Ų7767.3 Ų67.340%0.39535%0.348SS..EExtended strand (participates in β ladder)trans-88.8120.2168.2-58.6172.8000106.3R957 S1317 F1318R957-I1312 HydrophobicContact CB-CD1 4.28Å; R957-I1312 HydrophobicContact CG-CD1 4.48Å; I1312-S1317 WeakPolarHBondContact CA-O 3.24Å; I1312-F1318 HydrophobicContact CD1-CE1 3.94Å; I1312-F1318 HydrophobicContact CD1-CZ 4.35Å; I1312-F1318 HydrophobicContact CG1-CD1 3.84Å; I1312-F1318 HydrophobicContact CG1-CE1 3.62Å; I1312-F1318 HydrophobicContact CG1-CZ 4.36Å
1313K87.1Confident81.3Confident98 Ų9867.6 Ų67.643%0.42635%0.349SS..  trans-73165.8173.9-79.7173.5179.31600110.8D1315 G1316 S1317 D1319K1313-D1315 WeakPolarHBondContact CB-OD1 3.4Å; K1313-D1315 PolarHBondContact O-N 2.85Å; K1313-G1316 VanDerWaalsContact O-CA 3.31Å; K1313-G1316 WeakPolarHBondContact O-CA 3.28Å; K1313-G1316 PolarHBondContact O-N 3.41Å; K1313-S1317 PolarHBondContact N-O 2.95Å; K1313-D1319 HydrophobicContact CD-CB 4.4Å; K1313-D1319 WeakPolarHBondContact CE-OD2 3.26Å; K1313-D1319 IonicContact NZ-OD2 2.91Å; K1313-D1319 PolarHBondContact NZ-OD2 2.87Å
1314D87.1Confident82.2Confident167 Ų16764.5 Ų64.589%0.89333%0.334SS*.THydrogen-bonded Turntrans-61.7-28.4178.3-51.6-40.7000112.5N903 G1316N903-D1314 PolarHBondContact ND2-O 2.83Å; D1314-G1316 PolarHBondContact O-N 2.99Å
1315D88.9Confident83.2Confident80 Ų8062 Ų6243%0.42832%0.319SS..THydrogen-bonded Turntrans-71.5-3.6170.882.6-31000113.4S902 N903 K1313 S1317S902-D1315 CarbonylContact C-O 3.59Å; S902-D1315 WeakPolarHBondContact CB-O 3.41Å; N903-D1315 WeakPolarHBondContact CB-O 3.33Å; N903-D1315 PolarHBondContact N-O 3.04Å; K1313-D1315 WeakPolarHBondContact CB-OD1 3.4Å; K1313-D1315 PolarHBondContact O-N 2.85Å; D1315-S1317 VanDerWaalsContact C-N 3.31Å; D1315-S1317 VanDerWaalsContact CG-OG 3.28Å; D1315-S1317 PolarHBondContact O-N 2.93Å; D1315-S1317 VanDerWaalsContact OD1-CB 3.27Å; D1315-S1317 WeakPolarHBondContact OD1-CB 3.43Å; D1315-S1317 PolarHBondContact OD1-N 3.36Å; D1315-S1317 PolarHBondContact OD1-OG 2.87Å; D1315-S1317 WeakPolarHBondContact OD2-CB 3.28Å; D1315-S1317 PolarHBondContact OD2-OG 3.11Å
1316G84Confident84.1Confident2 Ų256.5 Ų56.52%0.02129%0.293CS..SBendtrans76.97.3-178.200000115.1N903 R957 K1313 D1314N903-G1316 PolarHBondContact ND2-N 3.17Å; R957-G1316 VanDerWaalsContact CZ-O 3.29Å; R957-G1316 PolarHBondContact NH1-O 3.09Å; R957-G1316 PolarHBondContact NH2-O 2.74Å; K1313-G1316 VanDerWaalsContact O-CA 3.31Å; K1313-G1316 WeakPolarHBondContact O-CA 3.28Å; K1313-G1316 PolarHBondContact O-N 3.41Å; D1314-G1316 PolarHBondContact O-N 2.99Å
1317S85.9Confident85Confident25 Ų2552.6 Ų52.618%0.17527%0.271CS..  trans-77.4152.2172.8680000111.7I1312 K1313 D1315I1312-S1317 WeakPolarHBondContact CA-O 3.24Å; K1313-S1317 PolarHBondContact N-O 2.95Å; D1315-S1317 VanDerWaalsContact C-N 3.31Å; D1315-S1317 VanDerWaalsContact CG-OG 3.28Å; D1315-S1317 PolarHBondContact O-N 2.93Å; D1315-S1317 VanDerWaalsContact OD1-CB 3.27Å; D1315-S1317 WeakPolarHBondContact OD1-CB 3.43Å; D1315-S1317 PolarHBondContact OD1-N 3.36Å; D1315-S1317 PolarHBondContact OD1-OG 2.87Å; D1315-S1317 WeakPolarHBondContact OD2-CB 3.28Å; D1315-S1317 PolarHBondContact OD2-OG 3.11Å
1318F83.9Confident85.7Confident43 Ų4350.4 Ų50.419%0.18926%0.262CS..EExtended strand (participates in β ladder)trans-86.4130.5171-75.1-76.9000110.7F899 K900 R957 V1310 I1312F899-F1318 HydrophobicContact CD1-CE2 4.14Å; F899-F1318 HydrophobicContact CD2-CE2 4.47Å; F899-F1318 HydrophobicContact CD2-CZ 4.38Å; F899-F1318 AromaticContact CE1-CE2 3.86Å; F899-F1318 HydrophobicContact CE1-CE2 3.86Å; F899-F1318 AromaticContact CE1-CZ 3.91Å; F899-F1318 HydrophobicContact CE1-CZ 3.91Å; F899-F1318 HydrophobicContact CE2-CE2 4.21Å; F899-F1318 AromaticContact CE2-CZ 3.74Å; F899-F1318 HydrophobicContact CE2-CZ 3.74Å; F899-F1318 HydrophobicContact CG-CE2 4.42Å; F899-F1318 HydrophobicContact CZ-CE1 4.34Å; F899-F1318 AromaticContact CZ-CE2 3.88Å; F899-F1318 HydrophobicContact CZ-CE2 3.88Å; F899-F1318 AromaticContact CZ-CZ 3.45Å; F899-F1318 HydrophobicContact CZ-CZ 3.45Å; F899-F1318 VanDerWaalsContact CZ-CZ 3.45Å; F899-F1318 WeakPolarHBondContact O-CE2 3.28Å; K900-F1318 HydrophobicContact CG-CD2 4.48Å; R957-F1318 HydrophobicContact CG-CZ 4.2Å; V1310-F1318 HydrophobicContact CG1-CD1 3.53Å; V1310-F1318 HydrophobicContact CG1-CE1 3.99Å; I1312-F1318 HydrophobicContact CD1-CE1 3.94Å; I1312-F1318 HydrophobicContact CD1-CZ 4.35Å; I1312-F1318 HydrophobicContact CG1-CD1 3.84Å; I1312-F1318 HydrophobicContact CG1-CE1 3.62Å; I1312-F1318 HydrophobicContact CG1-CZ 4.36Å
1319D83Confident85.8Confident58 Ų5851.1 Ų51.131%0.3127%0.268SS..EExtended strand (participates in β ladder)trans-122153.7168.6-157.5-14.3000110.4V1311 K1313V1311-D1319 PolarHBondContact N-O 3.26Å; V1311-D1319 PolarHBondContact O-N 3.46Å; K1313-D1319 HydrophobicContact CD-CB 4.4Å; K1313-D1319 WeakPolarHBondContact CE-OD2 3.26Å; K1313-D1319 IonicContact NZ-OD2 2.91Å; K1313-D1319 PolarHBondContact NZ-OD2 2.87Å
1320T81.8Confident86Confident43 Ų4346.3 Ų46.326%0.26425%0.253SS..EExtended strand (participates in β ladder)trans-117.898.8178.662.40000110.4T963 R1309T963-T1320 HydrophobicContact CG2-CG2 3.82Å; R1309-T1320 WeakPolarHBondContact O-CA 3.41Å
1321V84.8Confident86.4Confident51 Ų5145.5 Ų45.531%0.30925%0.248SC..EExtended strand (participates in β ladder)trans-82.3126178.3-174.80000109.3R1309 V1311 E1323R1309-V1321 PolarHBondContact N-O 2.76Å; R1309-V1321 PolarHBondContact O-N 3.19Å; V1311-V1321 HydrophobicContact CG2-CG2 4.04Å; V1321-E1323 HydrophobicContact CG1-CG 4.16Å; V1321-E1323 PolarHBondContact O-N 3.48Å
1322A86.3Confident86.7Confident50 Ų5043.8 Ų43.841%0.41324%0.238SC..  trans-80.9104.1169.100000108.9L1301L1301-A1322 HydrophobicContact CD2-CB 4.46Å
1323E89.4Confident87.1Confident11 Ų1140.2 Ų40.25%0.05122%0.219CC..  trans-96.6151.9173-67.8179.5154.900110A1138 P1302 R1309 V1321 R1346A1138-E1323 HydrophobicContact CB-CB 4.2Å; A1138-E1323 HydrophobicContact CB-CG 4.22Å; A1138-E1323 CarbonylContact O-C 3.58Å; A1138-E1323 WeakPolarHBondContact O-CA 3.45Å; P1302-E1323 WeakPolarHBondContact CD-O 3.3Å; R1309-E1323 HydrophobicContact CB-CG 4.3Å; R1309-E1323 WeakPolarHBondContact CD-OE1 3.4Å; R1309-E1323 VanDerWaalsContact CD-OE2 3.28Å; R1309-E1323 WeakPolarHBondContact CD-OE2 3.12Å; R1309-E1323 IonicContact CZ-OE1 2.69Å; R1309-E1323 IonicContact NE-OE1 3.41Å; R1309-E1323 IonicContact NH1-OE1 3.2Å; R1309-E1323 PolarHBondContact NH1-OE1 2.8Å; R1309-E1323 IonicContact NH1-OE2 3.29Å; V1321-E1323 HydrophobicContact CG1-CG 4.16Å; V1321-E1323 PolarHBondContact O-N 3.48Å; E1323-R1346 IonicContact OE2-CZ 3.86Å; E1323-R1346 IonicContact OE2-NH1 3.89Å; E1323-R1346 PolarHBondContact OE2-NH1 2.99Å; E1323-R1346 IonicContact OE2-NH2 2.71Å; E1323-R1346 PolarHBondContact OE2-NH2 3.3Å
1324W89.7Confident87.3Confident54 Ų5442.6 Ų42.621%0.20523%0.234CC..  trans-65.7135.2168.5-70.6104.7000110.5A1138 R1139 A1141 T1144 M1299 L1301A1138-W1324 PolarHBondContact O-N 3.29Å; R1139-W1324 PolarHBondContact O-NE1 3.35Å; A1141-W1324 HydrophobicContact CB-CZ2 3.78Å; T1144-W1324 HydrophobicContact CG2-CB 4.22Å; T1144-W1324 WeakPolarHBondContact OG1-CB 3.41Å; M1299-W1324 HydrophobicContact CE-CE3 4.27Å; M1299-W1324 HydrophobicContact CE-CH2 4.07Å; M1299-W1324 HydrophobicContact CE-CZ3 3.79Å; M1299-W1324 HydrophobicContact CG-CD2 4.31Å; M1299-W1324 HydrophobicContact CG-CE3 3.42Å; M1299-W1324 VanDerWaalsContact CG-CE3 3.42Å; M1299-W1324 HydrophobicContact CG-CZ3 3.71Å; M1299-W1324 HydrophobicContact SD-CD2 4.35Å; M1299-W1324 HydrophobicContact SD-CE3 3.89Å; M1299-W1324 HydrophobicContact SD-CZ3 4.04Å; L1301-W1324 HydrophobicContact CD1-CH2 3.86Å; L1301-W1324 HydrophobicContact CD1-CZ2 3.87Å; L1301-W1324 HydrophobicContact CD1-CZ3 4.21Å; L1301-W1324 HydrophobicContact CD2-CD2 3.82Å; L1301-W1324 HydrophobicContact CD2-CE3 4.09Å; L1301-W1324 HydrophobicContact CD2-CG 4.11Å; L1301-W1324 HydrophobicContact CD2-CZ2 4.49Å; L1301-W1324 HydrophobicContact CG-CD2 3.94Å; L1301-W1324 HydrophobicContact CG-CE3 3.76Å; L1301-W1324 HydrophobicContact CG-CH2 3.94Å; L1301-W1324 HydrophobicContact CG-CZ2 4.09Å; L1301-W1324 HydrophobicContact CG-CZ3 3.77Å
1325M89Confident87.6Confident1 Ų141.1 Ų41.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-138.3155.3178.159.1-178.3-65.400110.4T1130 F1132 H1300 P1302 K1307T1130-M1325 HydrophobicContact CG2-CE 3.2Å; F1132-M1325 HydrophobicContact CD1-CB 4.23Å; F1132-M1325 HydrophobicContact CE1-CB 4.45Å; F1132-M1325 HydrophobicContact CE1-CE 3.93Å; F1132-M1325 HydrophobicContact CE1-SD 4.09Å; F1132-M1325 HydrophobicContact CZ-CE 3.96Å; H1300-M1325 PolarHBondContact N-O 3.47Å; H1300-M1325 PolarHBondContact ND1-O 2.84Å; H1300-M1325 PolarHBondContact NE2-SD 3.14Å; H1300-M1325 WeakPolarHBondContact O-CG 3.29Å; H1300-M1325 PolarHBondContact O-N 3.27Å; H1300-M1325 VanDerWaalsContact O-N 3.11Å; P1302-M1325 HydrophobicContact CB-SD 3.72Å; P1302-M1325 HydrophobicContact CG-SD 3.86Å; K1307-M1325 HydrophobicContact CB-CE 4.48Å; K1307-M1325 HydrophobicContact CB-SD 4.11Å; K1307-M1325 HydrophobicContact CD-CE 3.88Å; K1307-M1325 HydrophobicContact CD-SD 4.24Å; K1307-M1325 HydrophobicContact CG-CE 4.45Å
1326L90.2Very high87.8Confident0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-113.5132.2-176.5-50.2178.2000109.7I1131 L1133 T1144 V1147 V1148 L1151 V1297 Y1298 M1299I1131-L1326 HydrophobicContact CB-CB 4.19Å; I1131-L1326 PolarHBondContact N-O 3.27Å; I1131-L1326 PolarHBondContact O-N 3.04Å; L1133-L1326 HydrophobicContact CD2-CD1 4.18Å; T1144-L1326 HydrophobicContact CG2-CD2 3.66Å; V1147-L1326 HydrophobicContact CB-CD1 4.28Å; V1147-L1326 HydrophobicContact CG1-CD1 3.94Å; V1148-L1326 HydrophobicContact CG2-CD1 3.99Å; V1148-L1326 HydrophobicContact CG2-CD2 3.52Å; V1148-L1326 HydrophobicContact CG2-CG 4.41Å; L1151-L1326 HydrophobicContact CD1-CD1 3.96Å; V1297-L1326 HydrophobicContact CG1-CB 3.76Å; V1297-L1326 HydrophobicContact CG1-CD1 4.04Å; V1297-L1326 HydrophobicContact CG1-CD2 4.29Å; V1297-L1326 HydrophobicContact CG1-CG 4.25Å; Y1298-L1326 CarbonylContact O-C 3.53Å; Y1298-L1326 WeakPolarHBondContact O-CA 3.37Å; M1299-L1326 HydrophobicContact CB-CD2 3.91Å; M1299-L1326 HydrophobicContact CG-CD2 4.21Å
1327E86Confident88.2Confident38 Ų3839.3 Ų39.318%0.17821%0.205CC..EExtended strand (participates in β ladder)trans-106.3134.3167.3-96.2166.6-164.700108.1M1129 Y1298 H1300 K1307M1129-E1327 CarbonylContact O-C 3.46Å; M1129-E1327 VanDerWaalsContact O-CA 3.32Å; M1129-E1327 WeakPolarHBondContact O-CA 3.34Å; Y1298-E1327 WeakPolarHBondContact CB-O 3.25Å; Y1298-E1327 WeakPolarHBondContact CD2-O 3.41Å; Y1298-E1327 PolarHBondContact N-O 2.95Å; Y1298-E1327 PolarHBondContact O-N 3.49Å; H1300-E1327 IonicContact CE1-OE1 2.81Å; H1300-E1327 PolarHBondContact CE1-OE1 3.35Å; H1300-E1327 IonicContact CE1-OE2 2.96Å; H1300-E1327 IonicContact NE2-OE1 3.7Å; K1307-E1327 IonicContact NZ-OE1 2.68Å; K1307-E1327 PolarHBondContact NZ-OE1 3.18Å
1328T88.8Confident88.5Confident4 Ų442.1 Ų42.13%0.02523%0.23CC..EExtended strand (participates in β ladder)trans-104.8154.9-178.964.80000113S1128 M1129 I1131 I1294 V1297 G1330S1128-T1328 WeakPolarHBondContact CA-O 3.12Å; S1128-T1328 VanDerWaalsContact CB-O 3.25Å; S1128-T1328 WeakPolarHBondContact CB-O 3.16Å; S1128-T1328 PolarHBondContact OG-O 2.85Å; M1129-T1328 HydrophobicContact CB-CG2 4.31Å; M1129-T1328 WeakPolarHBondContact CB-OG1 3.47Å; M1129-T1328 PolarHBondContact N-OG1 2.81Å; M1129-T1328 PolarHBondContact O-N 2.83Å; I1131-T1328 HydrophobicContact CD1-CG2 3.51Å; I1131-T1328 HydrophobicContact CG1-CG2 4.32Å; I1294-T1328 HydrophobicContact CD1-CG2 4.49Å; I1294-T1328 HydrophobicContact CG2-CG2 4.09Å; V1297-T1328 HydrophobicContact CG1-CG2 4.48Å; V1297-T1328 HydrophobicContact CG2-CG2 4.28Å; T1328-G1330 WeakPolarHBondContact CB-O 3.31Å; T1328-G1330 PolarHBondContact OG1-O 3.5Å
1329D84.9Confident88.9Confident70 Ų7043 Ų4337%0.37424%0.235SC..EExtended strand (participates in β ladder)trans-100.5119.7155.8-179.433.9000107.9T1295 K1296 Y1298T1295-D1329 PolarHBondContact N-O 2.95Å; T1295-D1329 WeakPolarHBondContact OG1-CB 3.34Å; T1295-D1329 PolarHBondContact OG1-O 3.27Å; T1295-D1329 PolarHBondContact OG1-OD2 2.99Å; K1296-D1329 HydrophobicContact CB-CB 4.34Å; K1296-D1329 PolarHBondContact O-N 3.44Å; Y1298-D1329 HydrophobicContact CE2-CB 4.4Å
1330G86.2Confident89.2Confident8 Ų850 Ų508%0.08226%0.257CS..BIsolated β-bridgetrans88.9162.1-165.500000114.1P1127 Q1293 T1328P1127-G1330 PolarHBondContact O-N 3.39Å; Q1293-G1330 WeakPolarHBondContact O-CA 3.48Å; T1328-G1330 WeakPolarHBondContact CB-O 3.31Å; T1328-G1330 PolarHBondContact OG1-O 3.5Å
1331T88.9Confident89.7Confident24 Ų2451.4 Ų51.415%0.14726%0.263CS..  trans-132.4140-171.747.20000111.3P1127 M1129 Q1293 S1349 D1351 E1354P1127-T1331 HydrophobicContact CB-CG2 3.87Å; M1129-T1331 HydrophobicContact CG-CG2 3.77Å; Q1293-T1331 WeakPolarHBondContact CB-O 3.41Å; T1331-S1349 WeakPolarHBondContact CG2-OG 3.32Å; T1331-D1351 HydrophobicContact CG2-CB 4.48Å; T1331-E1354 WeakPolarHBondContact CB-OE2 3.29Å
1332C91.2Very high90.1Very high16 Ų1649.4 Ų49.411%0.10825%0.251CS..  trans-161.857.4170.8-160.50000110.9M1129 I1291 Q1293 I1294 M1334 R1335 V1336 E1354M1129-C1332 PolarHBondContact SD-N 2.93Å; M1129-C1332 VanDerWaalsContact SD-N 3.36Å; I1291-C1332 HydrophobicContact CG2-CB 3.7Å; Q1293-C1332 HydrophobicContact CB-CB 4.21Å; I1294-C1332 HydrophobicContact CD1-CB 4.47Å; I1294-C1332 HydrophobicContact CG1-CB 4.48Å; C1332-M1334 VanDerWaalsContact C-N 3.33Å; C1332-M1334 PolarHBondContact O-N 2.95Å; C1332-R1335 PolarHBondContact O-N 3.4Å; C1332-V1336 WeakPolarHBondContact O-CG2 3.4Å; C1332-V1336 PolarHBondContact O-N 3.14Å; C1332-V1336 VanDerWaalsContact O-N 3.1Å; C1332-E1354 WeakPolarHBondContact CA-OE1 3.41Å; C1332-E1354 PolarHBondContact N-OE1 2.67Å
1333L91.8Very high90.3Very high1 Ų147.8 Ų47.81%0.00524%0.235CC..Hα-helixtrans-49.1-48.9-168.3-176.763.5000112.9M1129 R1335 V1336 L1337 T1347 E1354 I1355 A1358 L1359M1129-L1333 HydrophobicContact CE-CB 4.21Å; M1129-L1333 HydrophobicContact CE-CD1 3.61Å; M1129-L1333 HydrophobicContact SD-CB 4.46Å; L1333-R1335 VanDerWaalsContact C-N 3.31Å; L1333-R1335 PolarHBondContact O-N 3.12Å; L1333-V1336 PolarHBondContact O-N 3.4Å; L1333-L1337 HydrophobicContact CD1-CD1 3.85Å; L1333-L1337 HydrophobicContact CD1-CD2 4.1Å; L1333-L1337 HydrophobicContact CD1-CG 3.83Å; L1333-L1337 HydrophobicContact CD2-CD1 4.49Å; L1333-L1337 HydrophobicContact CG-CD1 3.74Å; L1333-L1337 HydrophobicContact CG-CG 4.15Å; L1333-L1337 WeakPolarHBondContact O-CB 3.42Å; L1333-L1337 VanDerWaalsContact O-CG 3.23Å; L1333-L1337 WeakPolarHBondContact O-CG 3.46Å; L1333-L1337 PolarHBondContact O-N 3.15Å; L1333-T1347 HydrophobicContact CD1-CG2 4.06Å; L1333-E1354 VanDerWaalsContact CB-CD 3.44Å; L1333-E1354 HydrophobicContact CB-CG 3.85Å; L1333-E1354 PolarHBondContact N-OE1 2.91Å; L1333-I1355 HydrophobicContact CD2-CG1 4.11Å; L1333-A1358 HydrophobicContact CD2-CB 4.16Å; L1333-L1359 HydrophobicContact CD2-CD1 4.26Å; L1333-L1359 HydrophobicContact CD2-CG 4.49Å
1334M92Very high90.4Very high148 Ų14850.8 Ų50.873%0.72926%0.256SS*.Hα-helixtrans-59.7-35.9-178-173.5177.166.900113.8C1332C1332-M1334 VanDerWaalsContact C-N 3.33Å; C1332-M1334 PolarHBondContact O-N 2.95Å
1335R92.3Very high90.4Very high137 Ų13750.2 Ų50.252%0.51726%0.258SS..Hα-helixtrans-78.5-40.9176.5-72.5-171.8175.5-171.1-1.7111.8I1291 C1332 L1333 L1337 A1338I1291-R1335 HydrophobicContact CD1-CB 3.86Å; I1291-R1335 HydrophobicContact CG1-CB 4.5Å; C1332-R1335 PolarHBondContact O-N 3.4Å; L1333-R1335 VanDerWaalsContact C-N 3.31Å; L1333-R1335 PolarHBondContact O-N 3.12Å; R1335-L1337 PolarHBondContact O-N 3.49Å; R1335-A1338 PolarHBondContact O-N 2.96Å
1336V93.4Very high90.3Very high0 Ų051.8 Ų51.80%026%0.264CS..Hα-helixtrans-63.1-40179.1172.50000112M1129 I1131 L1151 I1291 I1294 C1332 L1333 A1338 E1339 V1342 T1347M1129-V1336 HydrophobicContact CE-CB 3.71Å; M1129-V1336 HydrophobicContact CE-CG1 3.66Å; M1129-V1336 HydrophobicContact CE-CG2 3.87Å; M1129-V1336 HydrophobicContact SD-CB 4.47Å; M1129-V1336 HydrophobicContact SD-CG2 4.01Å; I1131-V1336 HydrophobicContact CD1-CG1 3.57Å; I1131-V1336 HydrophobicContact CD1-CG2 4.45Å; I1131-V1336 HydrophobicContact CG1-CG1 3.9Å; I1131-V1336 HydrophobicContact CG2-CG1 4.13Å; L1151-V1336 HydrophobicContact CD2-CG2 4.2Å; I1291-V1336 HydrophobicContact CD1-CG2 3.75Å; I1294-V1336 HydrophobicContact CD1-CG2 3.59Å; C1332-V1336 WeakPolarHBondContact O-CG2 3.4Å; C1332-V1336 PolarHBondContact O-N 3.14Å; C1332-V1336 VanDerWaalsContact O-N 3.1Å; L1333-V1336 PolarHBondContact O-N 3.4Å; V1336-A1338 PolarHBondContact O-N 2.92Å; V1336-E1339 WeakPolarHBondContact O-CB 3.43Å; V1336-E1339 PolarHBondContact O-N 2.95Å; V1336-E1339 VanDerWaalsContact O-N 3.16Å; V1336-V1342 HydrophobicContact CG1-CG1 4.21Å; V1336-T1347 HydrophobicContact CG1-CG2 4.34Å
1337L93.1Very high90.4Very high43 Ų4352.1 Ų52.123%0.22527%0.266CS..THydrogen-bonded Turntrans-66.1-20177.4-67.7174000113.4L1333 R1335 P1344 T1347L1333-L1337 HydrophobicContact CD1-CD1 3.85Å; L1333-L1337 HydrophobicContact CD1-CD2 4.1Å; L1333-L1337 HydrophobicContact CD1-CG 3.83Å; L1333-L1337 HydrophobicContact CD2-CD1 4.49Å; L1333-L1337 HydrophobicContact CG-CD1 3.74Å; L1333-L1337 HydrophobicContact CG-CG 4.15Å; L1333-L1337 WeakPolarHBondContact O-CB 3.42Å; L1333-L1337 VanDerWaalsContact O-CG 3.23Å; L1333-L1337 WeakPolarHBondContact O-CG 3.46Å; L1333-L1337 PolarHBondContact O-N 3.15Å; R1335-L1337 PolarHBondContact O-N 3.49Å; L1337-P1344 HydrophobicContact CD2-CB 4.07Å; L1337-T1347 HydrophobicContact CD2-CG2 4.09Å
1338A92.4Very high90.6Very high85 Ų8554 Ų5470%0.70228%0.28SS*.THydrogen-bonded Turntrans-89.1-6.7176.700000113.3R1335 V1336R1335-A1338 PolarHBondContact O-N 2.96Å; V1336-A1338 PolarHBondContact O-N 2.92Å
1339E90.9Very high90.7Very high62 Ų6254 Ų5429%0.2928%0.28SS..SBendtrans-83.5143.1-172-165.552.7-137.100112R1150 L1151 V1336 V1342R1150-E1339 IonicContact CZ-OE1 3.98Å; R1150-E1339 IonicContact NH1-OE1 2.75Å; R1150-E1339 PolarHBondContact NH1-OE1 2.8Å; L1151-E1339 HydrophobicContact CD2-CG 4.12Å; V1336-E1339 WeakPolarHBondContact O-CB 3.43Å; V1336-E1339 PolarHBondContact O-N 2.95Å; V1336-E1339 VanDerWaalsContact O-N 3.16Å; E1339-V1342 HydrophobicContact CB-CG2 4.12Å; E1339-V1342 PolarHBondContact O-N 3.22Å
1340R91.2Very high90.9Very high203 Ų20351.6 Ų51.677%0.76627%0.267SS*.THydrogen-bonded Turntrans-66.2146.4-177.3-60.8-178-176179.22.1111.5R1150 V1342R1150-R1340 PolarHBondContact NH1-O 3.4Å; R1150-R1340 PolarHBondContact NH2-O 2.83Å; R1340-V1342 PolarHBondContact O-N 3.39Å
1341D91.5Very high91.2Very high73 Ų7352 Ų5239%0.3927%0.268SS..THydrogen-bonded Turntrans69.9-7.9-177.8-44.9-73.1000116L1133 T1134 A1137 V1147 R1150L1133-D1341 CarbonylContact C-O 3.48Å; L1133-D1341 WeakPolarHBondContact CA-O 3.42Å; T1134-D1341 PolarHBondContact N-O 2.87Å; T1134-D1341 WeakPolarHBondContact OG1-CA 3.36Å; T1134-D1341 PolarHBondContact OG1-O 3.23Å; A1137-D1341 HydrophobicContact CB-CB 4.13Å; V1147-D1341 HydrophobicContact CG2-CB 4.11Å; R1150-D1341 IonicContact CZ-OD2 3.96Å; R1150-D1341 IonicContact NH2-OD2 2.9Å; R1150-D1341 PolarHBondContact NH2-OD2 3.12Å
1342V92Very high91.4Very high9 Ų951.5 Ų51.56%0.05526%0.264CS..BIsolated β-bridgetrans-73.2144.8171.1174.30000110.6I1131 V1147 V1336 E1339 R1340 P1344I1131-V1342 HydrophobicContact CG2-CB 4.41Å; I1131-V1342 HydrophobicContact CG2-CG1 3.65Å; I1131-V1342 HydrophobicContact CG2-CG2 4Å; V1147-V1342 HydrophobicContact CG1-CG2 4.28Å; V1336-V1342 HydrophobicContact CG1-CG1 4.21Å; E1339-V1342 HydrophobicContact CB-CG2 4.12Å; E1339-V1342 PolarHBondContact O-N 3.22Å; R1340-V1342 PolarHBondContact O-N 3.39Å; V1342-P1344 VanDerWaalsContact O-CD 3.27Å; V1342-P1344 WeakPolarHBondContact O-CD 3.24Å
1343D91.3Very high91.5Very high16 Ų1652 Ų529%0.08627%0.266CS..  trans-88.3105.2173.5-176.1-34.7000109.5F1132 T1134 V1345 R1346 T1347F1132-D1343 HydrophobicContact CB-CB 3.89Å; F1132-D1343 WeakPolarHBondContact O-CB 3.4Å; F1132-D1343 PolarHBondContact O-N 3.01Å; T1134-D1343 HydrophobicContact CG2-CB 3.73Å; D1343-V1345 PolarHBondContact O-N 3.03Å; D1343-V1345 WeakPolarHBondContact OD1-CA 3.2Å; D1343-V1345 WeakPolarHBondContact OD1-CB 3.4Å; D1343-V1345 WeakPolarHBondContact OD1-CG2 3.22Å; D1343-V1345 PolarHBondContact OD1-N 3.05Å; D1343-R1346 PolarHBondContact OD1-N 3.32Å; D1343-R1346 IonicContact OD2-CZ 3.99Å; D1343-R1346 VanDerWaalsContact OD2-CZ 3.28Å; D1343-R1346 IonicContact OD2-NE 2.67Å; D1343-R1346 PolarHBondContact OD2-NE 3.15Å; D1343-R1346 IonicContact OD2-NH2 3.91Å; D1343-R1346 PolarHBondContact OD2-NH2 2.81Å; D1343-T1347 VanDerWaalsContact O-CB 3.24Å; D1343-T1347 WeakPolarHBondContact O-CB 3.32Å; D1343-T1347 PolarHBondContact O-N 3.37Å; D1343-T1347 PolarHBondContact O-OG1 2.95Å
1344P91.6Very high91.6Very high75 Ų7553.5 Ų53.549%0.48727%0.273SS..THydrogen-bonded Turntrans-75.8-6.7-176.432.9-37.2000113.2L1337 V1342L1337-P1344 HydrophobicContact CD2-CB 4.07Å; V1342-P1344 VanDerWaalsContact O-CD 3.27Å; V1342-P1344 WeakPolarHBondContact O-CD 3.24Å
1345V89.5Confident91.7Very high41 Ų4146.7 Ų46.725%0.24824%0.24CC..THydrogen-bonded Turntrans-96.9-36.1-173.7-139.50000111.3D1343 S1870 F1872D1343-V1345 PolarHBondContact O-N 3.03Å; D1343-V1345 WeakPolarHBondContact OD1-CA 3.2Å; D1343-V1345 WeakPolarHBondContact OD1-CB 3.4Å; D1343-V1345 WeakPolarHBondContact OD1-CG2 3.22Å; D1343-V1345 PolarHBondContact OD1-N 3.05Å; V1345-S1870 WeakPolarHBondContact CG1-O 3.46Å; V1345-S1870 WeakPolarHBondContact CG2-OG 3.49Å; V1345-F1872 HydrophobicContact CB-CD2 3.94Å; V1345-F1872 HydrophobicContact CB-CE2 3.97Å; V1345-F1872 HydrophobicContact CG1-CD2 3.58Å; V1345-F1872 HydrophobicContact CG1-CE2 3.97Å; V1345-F1872 VanDerWaalsContact O-CD2 3.22Å; V1345-F1872 WeakPolarHBondContact O-CD2 3.41Å
1346R87.5Confident91.8Very high35 Ų3543.7 Ų43.713%0.13223%0.23CC..THydrogen-bonded Turntrans-97.8-17.3178.7-69.5-171.2-69.7166.3-2.1114.7F1132 L1133 E1323 D1343 V1348 F1872F1132-R1346 HydrophobicContact CB-CB 3.96Å; F1132-R1346 HydrophobicContact CD2-CB 3.5Å; F1132-R1346 VanDerWaalsContact CD2-CB 3.5Å; F1132-R1346 WeakPolarHBondContact CD2-O 3.24Å; F1132-R1346 HydrophobicContact CE2-CB 4.12Å; F1132-R1346 VanDerWaalsContact CE2-O 3.32Å; F1132-R1346 WeakPolarHBondContact CE2-O 3.27Å; F1132-R1346 HydrophobicContact CG-CB 3.81Å; L1133-R1346 PolarHBondContact O-NH2 3.34Å; E1323-R1346 IonicContact OE2-CZ 3.86Å; E1323-R1346 IonicContact OE2-NH1 3.89Å; E1323-R1346 PolarHBondContact OE2-NH1 2.99Å; E1323-R1346 IonicContact OE2-NH2 2.71Å; E1323-R1346 PolarHBondContact OE2-NH2 3.3Å; D1343-R1346 PolarHBondContact OD1-N 3.32Å; D1343-R1346 IonicContact OD2-CZ 3.99Å; D1343-R1346 VanDerWaalsContact OD2-CZ 3.28Å; D1343-R1346 IonicContact OD2-NE 2.67Å; D1343-R1346 PolarHBondContact OD2-NE 3.15Å; D1343-R1346 IonicContact OD2-NH2 3.91Å; D1343-R1346 PolarHBondContact OD2-NH2 2.81Å; R1346-V1348 PolarHBondContact O-N 3.48Å; R1346-F1872 HydrophobicContact CG-CD2 4.29Å; R1346-F1872 HydrophobicContact CG-CE2 3.43Å; R1346-F1872 VanDerWaalsContact CG-CE2 3.43Å; R1346-F1872 HydrophobicContact CG-CZ 3.63Å
1347T91.1Very high91.7Very high7 Ų751.2 Ų51.24%0.04327%0.266CS..  trans-68.5126.8-176.5-67.40000111.4M1129 T1130 I1131 F1132 L1333 V1336 L1337 D1343M1129-T1347 HydrophobicContact CE-CG2 3.85Å; T1130-T1347 WeakPolarHBondContact O-CA 3.4Å; I1131-T1347 HydrophobicContact CB-CG2 4.29Å; I1131-T1347 HydrophobicContact CG1-CG2 4.06Å; I1131-T1347 HydrophobicContact CG2-CG2 4.29Å; F1132-T1347 PolarHBondContact N-OG1 2.89Å; L1333-T1347 HydrophobicContact CD1-CG2 4.06Å; V1336-T1347 HydrophobicContact CG1-CG2 4.34Å; L1337-T1347 HydrophobicContact CD2-CG2 4.09Å; D1343-T1347 VanDerWaalsContact O-CB 3.24Å; D1343-T1347 WeakPolarHBondContact O-CB 3.32Å; D1343-T1347 PolarHBondContact O-N 3.37Å; D1343-T1347 PolarHBondContact O-OG1 2.95Å
1348V90.1Very high91.7Very high77 Ų7751.1 Ų51.147%0.46727%0.271SS..EExtended strand (participates in β ladder)trans-130140.7-174.3172.80000110.6M1129 T1130 R1346M1129-V1348 WeakPolarHBondContact CA-O 3.45Å; T1130-V1348 PolarHBondContact N-O 3.29Å; T1130-V1348 PolarHBondContact O-N 3.34Å; R1346-V1348 PolarHBondContact O-N 3.48Å
1349S91.3Very high91.7Very high4 Ų451.7 Ų51.73%0.02826%0.262CS..EExtended strand (participates in β ladder)trans-99.2149.8170.2-174.50000110.7T1331 D1351 E1354 I1355T1331-S1349 WeakPolarHBondContact CG2-OG 3.32Å; S1349-D1351 VanDerWaalsContact C-N 3.31Å; S1349-D1351 PolarHBondContact OG-N 3.28Å; S1349-E1354 WeakPolarHBondContact CB-OE2 3.32Å; S1349-E1354 PolarHBondContact OG-OE2 3.03Å; S1349-I1355 VanDerWaalsContact O-CD1 3.25Å; S1349-I1355 WeakPolarHBondContact O-CD1 3.48Å
1350N90.4Very high91.9Very high19 Ų1950 Ų5010%0.10226%0.261CS..SBendtrans-87.20169.480.2-6.5000113.1R1113 T1126 P1127 S1128R1113-N1350 PolarHBondContact NH2-O 3.27Å; T1126-N1350 PolarHBondContact O-ND2 2.96Å; P1127-N1350 WeakPolarHBondContact CA-OD1 3.3Å; S1128-N1350 PolarHBondContact N-OD1 2.9Å; S1128-N1350 VanDerWaalsContact O-CG 3.24Å; S1128-N1350 PolarHBondContact O-N 2.74Å; S1128-N1350 PolarHBondContact O-OD1 3.42Å
1351D92.1Very high92Very high18 Ų1842.3 Ų42.310%0.09624%0.235CC..  trans-91.7110.9172.6-165.4-27.2000111.1P1124 T1331 S1349 V1353 E1354 I1355P1124-D1351 HydrophobicContact CG-CB 4.47Å; T1331-D1351 HydrophobicContact CG2-CB 4.48Å; S1349-D1351 VanDerWaalsContact C-N 3.31Å; S1349-D1351 PolarHBondContact OG-N 3.28Å; D1351-V1353 VanDerWaalsContact C-N 3.3Å; D1351-V1353 PolarHBondContact O-N 3.08Å; D1351-V1353 WeakPolarHBondContact OD1-CB 3.41Å; D1351-V1353 PolarHBondContact OD1-N 3.42Å; D1351-E1354 HydrophobicContact CB-CB 3.96Å; D1351-E1354 PolarHBondContact O-N 3.43Å; D1351-E1354 PolarHBondContact OD1-N 2.71Å; D1351-I1355 WeakPolarHBondContact O-CG1 3.38Å; D1351-I1355 PolarHBondContact O-N 2.72Å; D1351-I1355 VanDerWaalsContact O-N 3.15Å
1352I93.5Very high92.2Very high13 Ų1344.1 Ų44.17%0.06724%0.241CC..Hα-helixtrans-71-27.9-177-57.8163.9000111.2I1117 F1356 V1364 I1368 L1401I1117-I1352 HydrophobicContact CB-CD1 4.34Å; I1117-I1352 HydrophobicContact CG1-CD1 4.09Å; I1117-I1352 HydrophobicContact CG2-CD1 3.91Å; I1352-F1356 PolarHBondContact O-N 2.95Å; I1352-F1356 VanDerWaalsContact O-N 3.07Å; I1352-V1364 HydrophobicContact CG2-CG1 3.88Å; I1352-I1368 HydrophobicContact CD1-CG1 4.05Å; I1352-I1368 HydrophobicContact CG2-CD1 4.22Å; I1352-I1368 HydrophobicContact CG2-CG1 3.84Å; I1352-L1401 HydrophobicContact CG2-CD1 4.19Å; I1352-L1401 HydrophobicContact CG2-CD2 4.06Å
1353V93.4Very high92.2Very high25 Ų2545.3 Ų45.315%0.15225%0.252CS..Hα-helixtrans-73.5-40.5178.5-1760000110V1120 D1351 F1356 E1357V1120-V1353 HydrophobicContact CG1-CG2 3.88Å; D1351-V1353 VanDerWaalsContact C-N 3.3Å; D1351-V1353 PolarHBondContact O-N 3.08Å; D1351-V1353 WeakPolarHBondContact OD1-CB 3.41Å; D1351-V1353 PolarHBondContact OD1-N 3.42Å; V1353-F1356 WeakPolarHBondContact O-CB 3.22Å; V1353-F1356 PolarHBondContact O-N 3.39Å; V1353-E1357 PolarHBondContact O-N 3.13Å; V1353-E1357 VanDerWaalsContact O-N 3.13Å
1354E92.7Very high92.4Very high33 Ų3344.6 Ų44.615%0.15425%0.248CC..Hα-helixtrans-63-41.7173.7-175.6-178.7-132.300111.9T1331 C1332 L1333 S1349 D1351 F1356 E1357 A1358T1331-E1354 WeakPolarHBondContact CB-OE2 3.29Å; C1332-E1354 WeakPolarHBondContact CA-OE1 3.41Å; C1332-E1354 PolarHBondContact N-OE1 2.67Å; L1333-E1354 VanDerWaalsContact CB-CD 3.44Å; L1333-E1354 HydrophobicContact CB-CG 3.85Å; L1333-E1354 PolarHBondContact N-OE1 2.91Å; S1349-E1354 WeakPolarHBondContact CB-OE2 3.32Å; S1349-E1354 PolarHBondContact OG-OE2 3.03Å; D1351-E1354 HydrophobicContact CB-CB 3.96Å; D1351-E1354 PolarHBondContact O-N 3.43Å; D1351-E1354 PolarHBondContact OD1-N 2.71Å; E1354-F1356 VanDerWaalsContact C-N 3.31Å; E1354-F1356 PolarHBondContact O-N 3.47Å; E1354-E1357 PolarHBondContact O-N 3.31Å; E1354-A1358 WeakPolarHBondContact O-CB 3.46Å; E1354-A1358 PolarHBondContact O-N 3.2Å
1355I94.3Very high92.6Very high6 Ų643.2 Ų43.23%0.03123%0.233CC..Hα-helixtrans-63.1-36.7174.5-69.7175.3000111.5L1333 S1349 D1351 L1359 G1360 A1363 V1364 A1367L1333-I1355 HydrophobicContact CD2-CG1 4.11Å; S1349-I1355 VanDerWaalsContact O-CD1 3.25Å; S1349-I1355 WeakPolarHBondContact O-CD1 3.48Å; D1351-I1355 WeakPolarHBondContact O-CG1 3.38Å; D1351-I1355 PolarHBondContact O-N 2.72Å; D1351-I1355 VanDerWaalsContact O-N 3.15Å; I1355-L1359 HydrophobicContact CG2-CB 4.3Å; I1355-L1359 HydrophobicContact CG2-CD1 4.38Å; I1355-L1359 WeakPolarHBondContact O-CA 3.18Å; I1355-L1359 PolarHBondContact O-N 2.71Å; I1355-G1360 PolarHBondContact O-N 3.31Å; I1355-A1363 HydrophobicContact CG2-CB 3.94Å; I1355-V1364 HydrophobicContact CB-CG2 4.34Å; I1355-V1364 HydrophobicContact CG2-CG2 3.87Å; I1355-A1367 HydrophobicContact CD1-CB 3.7Å; I1355-A1367 HydrophobicContact CG2-CB 4.33Å
1356F94Very high92.7Very high73 Ų7346.3 Ų46.332%0.3224%0.243SC..Hα-helixtrans-61.5-44174.9-179.7-110.3000112I1352 V1353 E1354 G1360 I1361 V1364 L1401I1352-F1356 PolarHBondContact O-N 2.95Å; I1352-F1356 VanDerWaalsContact O-N 3.07Å; V1353-F1356 WeakPolarHBondContact O-CB 3.22Å; V1353-F1356 PolarHBondContact O-N 3.39Å; E1354-F1356 VanDerWaalsContact C-N 3.31Å; E1354-F1356 PolarHBondContact O-N 3.47Å; F1356-G1360 PolarHBondContact O-N 3.13Å; F1356-I1361 HydrophobicContact CD2-CD1 4.02Å; F1356-I1361 HydrophobicContact CE2-CB 4.4Å; F1356-I1361 HydrophobicContact CE2-CD1 3.94Å; F1356-V1364 HydrophobicContact CB-CG2 3.57Å; F1356-V1364 HydrophobicContact CD2-CG2 4.16Å; F1356-V1364 HydrophobicContact CG-CG2 4.37Å; F1356-V1364 VanDerWaalsContact N-CG2 3.34Å; F1356-L1401 HydrophobicContact CB-CD1 3.88Å; F1356-L1401 HydrophobicContact CG-CD1 4.14Å
1357E92.2Very high93Very high158 Ų15845.3 Ų45.374%0.73824%0.243SC*.Hα-helixtrans-74.1-33.2-178.3-68.2176.2-173.900112.6V1353 E1354V1353-E1357 PolarHBondContact O-N 3.13Å; V1353-E1357 VanDerWaalsContact O-N 3.13Å; E1354-E1357 PolarHBondContact O-N 3.31Å
1358A92.2Very high93.1Very high41 Ų4145 Ų4534%0.33924%0.241SC..Hα-helixtrans-94.3-36.3-176.400000115.3L1333 E1354L1333-A1358 HydrophobicContact CD2-CB 4.16Å; E1354-A1358 WeakPolarHBondContact O-CB 3.46Å; E1354-A1358 PolarHBondContact O-N 3.2Å
1359L93.5Very high93.2Very high97 Ų9742.7 Ų42.751%0.50823%0.225SC..Hα-helixtrans-124.4-13.4-169.7-59178.8000114.3L1333 I1355 A1363L1333-L1359 HydrophobicContact CD2-CD1 4.26Å; L1333-L1359 HydrophobicContact CD2-CG 4.49Å; I1355-L1359 HydrophobicContact CG2-CB 4.3Å; I1355-L1359 HydrophobicContact CG2-CD1 4.38Å; I1355-L1359 WeakPolarHBondContact O-CA 3.18Å; I1355-L1359 PolarHBondContact O-N 2.71Å; L1359-A1363 HydrophobicContact CB-CB 3.49Å; L1359-A1363 VanDerWaalsContact CB-CB 3.49Å; L1359-A1363 HydrophobicContact CD1-CB 4.35Å
1360G93.7Very high93.1Very high27 Ų2745.7 Ų45.728%0.27825%0.245SC..  trans87.4-17817500000115.9I1355 F1356 E1362 A1363 V1364I1355-G1360 PolarHBondContact O-N 3.31Å; F1356-G1360 PolarHBondContact O-N 3.13Å; G1360-E1362 PolarHBondContact O-N 2.88Å; G1360-A1363 PolarHBondContact O-N 3.44Å; G1360-V1364 WeakPolarHBondContact O-CG2 3.45Å; G1360-V1364 PolarHBondContact O-N 3.3Å; G1360-V1364 VanDerWaalsContact O-N 3.1Å
1361I94.3Very high93.1Very high41 Ų4146.6 Ų46.621%0.2125%0.249CC..Hα-helixtrans-70.9-31.3-161.8-165.163000115.1F1356 V1364 R1365 T1396F1356-I1361 HydrophobicContact CD2-CD1 4.02Å; F1356-I1361 HydrophobicContact CE2-CB 4.4Å; F1356-I1361 HydrophobicContact CE2-CD1 3.94Å; I1361-V1364 HydrophobicContact CD1-CB 4.45Å; I1361-V1364 HydrophobicContact CD1-CG1 4.25Å; I1361-V1364 WeakPolarHBondContact O-CB 3.25Å; I1361-V1364 PolarHBondContact O-N 2.84Å; I1361-R1365 PolarHBondContact O-N 3.27Å; I1361-T1396 HydrophobicContact CD1-CG2 3.79Å; I1361-T1396 HydrophobicContact CG1-CG2 4.21Å
1362E94.8Very high93Very high112 Ų11245.8 Ų45.852%0.52324%0.244SC..Hα-helixtrans-75.6-34.4176.3-69.7-55.4135.200112.2G1360 V1364 R1365 K1366G1360-E1362 PolarHBondContact O-N 2.88Å; E1362-V1364 VanDerWaalsContact C-N 3.28Å; E1362-V1364 PolarHBondContact O-N 2.97Å; E1362-R1365 WeakPolarHBondContact O-CB 3.41Å; E1362-R1365 PolarHBondContact O-N 3.36Å; E1362-R1365 VanDerWaalsContact OE2-CD 3.26Å; E1362-R1365 WeakPolarHBondContact OE2-CD 3.45Å; E1362-K1366 PolarHBondContact O-N 2.86Å; E1362-K1366 VanDerWaalsContact O-N 3.12Å
1363A93.8Very high92.8Very high34 Ų3449.1 Ų49.128%0.28126%0.259SS..Hα-helixtrans-62.9-39.7170.100000110.7I1355 L1359 G1360 K1366 A1367I1355-A1363 HydrophobicContact CG2-CB 3.94Å; L1359-A1363 HydrophobicContact CB-CB 3.49Å; L1359-A1363 VanDerWaalsContact CB-CB 3.49Å; L1359-A1363 HydrophobicContact CD1-CB 4.35Å; G1360-A1363 PolarHBondContact O-N 3.44Å; A1363-K1366 PolarHBondContact O-N 3.42Å; A1363-A1367 VanDerWaalsContact O-CB 3.32Å; A1363-A1367 WeakPolarHBondContact O-CB 3.5Å; A1363-A1367 PolarHBondContact O-N 3.15Å
1364V94.8Very high92.3Very high0 Ų052.3 Ų52.30%027%0.272CS..Hα-helixtrans-61.4-46.9171.8163.80000112.6I1352 I1355 F1356 G1360 I1361 E1362 K1366 A1367 I1368 T1396 L1401I1352-V1364 HydrophobicContact CG2-CG1 3.88Å; I1355-V1364 HydrophobicContact CB-CG2 4.34Å; I1355-V1364 HydrophobicContact CG2-CG2 3.87Å; F1356-V1364 HydrophobicContact CB-CG2 3.57Å; F1356-V1364 HydrophobicContact CD2-CG2 4.16Å; F1356-V1364 HydrophobicContact CG-CG2 4.37Å; F1356-V1364 VanDerWaalsContact N-CG2 3.34Å; G1360-V1364 WeakPolarHBondContact O-CG2 3.45Å; G1360-V1364 PolarHBondContact O-N 3.3Å; G1360-V1364 VanDerWaalsContact O-N 3.1Å; I1361-V1364 HydrophobicContact CD1-CB 4.45Å; I1361-V1364 HydrophobicContact CD1-CG1 4.25Å; I1361-V1364 WeakPolarHBondContact O-CB 3.25Å; I1361-V1364 PolarHBondContact O-N 2.84Å; E1362-V1364 VanDerWaalsContact C-N 3.28Å; E1362-V1364 PolarHBondContact O-N 2.97Å; V1364-K1366 VanDerWaalsContact C-N 3.26Å; V1364-K1366 PolarHBondContact O-N 3.23Å; V1364-A1367 PolarHBondContact O-N 2.91Å; V1364-A1367 VanDerWaalsContact O-N 3.17Å; V1364-I1368 HydrophobicContact CG1-CD1 3.7Å; V1364-I1368 HydrophobicContact CG1-CG1 4.34Å; V1364-I1368 VanDerWaalsContact O-CG1 3.31Å; V1364-I1368 WeakPolarHBondContact O-CG1 3.43Å; V1364-I1368 PolarHBondContact O-N 3.41Å; V1364-T1396 HydrophobicContact CG1-CG2 4.04Å; V1364-L1401 HydrophobicContact CG1-CD1 4.4Å; V1364-L1401 HydrophobicContact CG1-CD2 3.44Å; V1364-L1401 VanDerWaalsContact CG1-CD2 3.44Å; V1364-L1401 HydrophobicContact CG1-CG 4.02Å
1365R95.2Very high92Very high47 Ų4750.8 Ų50.818%0.17727%0.265CS..Hα-helixtrans-51-49.2175.9-176.5-165.9-177.1-132.5-5.8110.2E883 I1361 E1362 E1369 C1392 D1393 T1396E883-R1365 IonicContact OE1-CZ 3.94Å; E883-R1365 IonicContact OE1-NH1 3.81Å; E883-R1365 PolarHBondContact OE1-NH1 2.83Å; E883-R1365 IonicContact OE1-NH2 3.54Å; E883-R1365 PolarHBondContact OE1-NH2 3.23Å; I1361-R1365 PolarHBondContact O-N 3.27Å; E1362-R1365 WeakPolarHBondContact O-CB 3.41Å; E1362-R1365 PolarHBondContact O-N 3.36Å; E1362-R1365 VanDerWaalsContact OE2-CD 3.26Å; E1362-R1365 WeakPolarHBondContact OE2-CD 3.45Å; R1365-E1369 PolarHBondContact O-N 3.23Å; R1365-C1392 HydrophobicContact CG-CB 4.28Å; R1365-D1393 IonicContact CZ-OD1 2.66Å; R1365-D1393 IonicContact NE-OD1 3.73Å; R1365-D1393 PolarHBondContact NE-OD1 3.17Å; R1365-D1393 IonicContact NH2-OD1 2.72Å; R1365-D1393 PolarHBondContact NH2-OD1 3.33Å; R1365-D1393 IonicContact NH2-OD2 3.5Å; R1365-D1393 PolarHBondContact NH2-OD2 3.5Å; R1365-T1396 HydrophobicContact CB-CG2 4.22Å
1366K92.2Very high91.5Very high105 Ų10550.9 Ų50.946%0.45727%0.266SS..Hα-helixtrans-71.1-37179.2-16850.9161.4-177.30113.6E1362 A1363 V1364 E1369 C1370E1362-K1366 PolarHBondContact O-N 2.86Å; E1362-K1366 VanDerWaalsContact O-N 3.12Å; A1363-K1366 PolarHBondContact O-N 3.42Å; V1364-K1366 VanDerWaalsContact C-N 3.26Å; V1364-K1366 PolarHBondContact O-N 3.23Å; K1366-E1369 HydrophobicContact CD-CB 4.46Å; K1366-E1369 VanDerWaalsContact CD-OE2 3.23Å; K1366-E1369 WeakPolarHBondContact CD-OE2 3.28Å; K1366-E1369 IonicContact NZ-OE1 2.79Å; K1366-E1369 PolarHBondContact NZ-OE1 3.32Å; K1366-E1369 IonicContact NZ-OE2 3.87Å; K1366-E1369 PolarHBondContact NZ-OE2 2.86Å; K1366-E1369 WeakPolarHBondContact O-CB 3.23Å; K1366-E1369 PolarHBondContact O-N 3.21Å; K1366-C1370 PolarHBondContact O-N 2.86Å; K1366-C1370 PolarHBondContact O-SG 3.02Å; K1366-C1370 VanDerWaalsContact O-SG 3.4Å
1367A92.8Very high91Very high15 Ų1549.4 Ų49.412%0.12427%0.265CS..Hα-helixtrans-63.2-43.5176.300000111.9I1355 A1363 V1364 C1370 E1371I1355-A1367 HydrophobicContact CD1-CB 3.7Å; I1355-A1367 HydrophobicContact CG2-CB 4.33Å; A1363-A1367 VanDerWaalsContact O-CB 3.32Å; A1363-A1367 WeakPolarHBondContact O-CB 3.5Å; A1363-A1367 PolarHBondContact O-N 3.15Å; V1364-A1367 PolarHBondContact O-N 2.91Å; V1364-A1367 VanDerWaalsContact O-N 3.17Å; A1367-C1370 PolarHBondContact O-N 3.31Å; A1367-E1371 WeakPolarHBondContact O-CB 3.49Å; A1367-E1371 WeakPolarHBondContact O-CG 3.33Å; A1367-E1371 PolarHBondContact O-N 3.13Å
1368I94.1Very high89.9Confident0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-60.6-46.2174.3-63.3162.9000110.2I1117 I1352 V1364 C1370 E1371 M1372 M1395 T1396 L1401I1117-I1368 HydrophobicContact CG2-CG2 4.11Å; I1352-I1368 HydrophobicContact CD1-CG1 4.05Å; I1352-I1368 HydrophobicContact CG2-CD1 4.22Å; I1352-I1368 HydrophobicContact CG2-CG1 3.84Å; V1364-I1368 HydrophobicContact CG1-CD1 3.7Å; V1364-I1368 HydrophobicContact CG1-CG1 4.34Å; V1364-I1368 VanDerWaalsContact O-CG1 3.31Å; V1364-I1368 WeakPolarHBondContact O-CG1 3.43Å; V1364-I1368 PolarHBondContact O-N 3.41Å; I1368-C1370 PolarHBondContact O-N 3.21Å; I1368-E1371 PolarHBondContact O-N 3.43Å; I1368-M1372 HydrophobicContact CG2-CG 4.14Å; I1368-M1372 HydrophobicContact CG2-SD 4.06Å; I1368-M1372 VanDerWaalsContact O-CB 3.29Å; I1368-M1372 WeakPolarHBondContact O-CB 3.31Å; I1368-M1372 VanDerWaalsContact O-CG 3.3Å; I1368-M1372 WeakPolarHBondContact O-CG 3.32Å; I1368-M1372 PolarHBondContact O-N 3.32Å; I1368-M1395 HydrophobicContact CD1-CB 4.39Å; I1368-M1395 HydrophobicContact CD1-CE 4.28Å; I1368-M1395 HydrophobicContact CG2-SD 4.38Å; I1368-T1396 HydrophobicContact CD1-CG2 4.26Å; I1368-L1401 HydrophobicContact CD1-CD2 3.98Å
1369E92.4Very high88.6Confident29 Ų2946.7 Ų46.714%0.13624%0.244CC..Hα-helixtrans-57.4-48.7177.9-173.4-145.5116.700111.7R1365 K1366 H1373 Y1385R1365-E1369 PolarHBondContact O-N 3.23Å; K1366-E1369 HydrophobicContact CD-CB 4.46Å; K1366-E1369 VanDerWaalsContact CD-OE2 3.23Å; K1366-E1369 WeakPolarHBondContact CD-OE2 3.28Å; K1366-E1369 IonicContact NZ-OE1 2.79Å; K1366-E1369 PolarHBondContact NZ-OE1 3.32Å; K1366-E1369 IonicContact NZ-OE2 3.87Å; K1366-E1369 PolarHBondContact NZ-OE2 2.86Å; K1366-E1369 WeakPolarHBondContact O-CB 3.23Å; K1366-E1369 PolarHBondContact O-N 3.21Å; E1369-H1373 VanDerWaalsContact O-CB 3.28Å; E1369-H1373 WeakPolarHBondContact O-CB 3.5Å; E1369-H1373 PolarHBondContact O-N 3.5Å; E1369-Y1385 HydrophobicContact CG-CE2 4.26Å
1370C89.8Confident87.6Confident66 Ų6643.9 Ų43.945%0.44624%0.238SC..Hα-helixtrans-65.3-44.6179.9-70.60000112.7K1366 A1367 I1368 H1373 H1374K1366-C1370 PolarHBondContact O-N 2.86Å; K1366-C1370 PolarHBondContact O-SG 3.02Å; K1366-C1370 VanDerWaalsContact O-SG 3.4Å; A1367-C1370 PolarHBondContact O-N 3.31Å; I1368-C1370 PolarHBondContact O-N 3.21Å; C1370-H1373 PolarHBondContact O-N 2.88Å; C1370-H1374 WeakPolarHBondContact O-CB 3.38Å; C1370-H1374 PolarHBondContact O-N 2.98Å
1371E89.8Confident87Confident39 Ų3943.8 Ų43.818%0.18223%0.234CC..Hα-helixtrans-64.5-43.4176.9-77.3-70127.500111.9R1113 I1117 A1367 I1368 H1374 V1375R1113-E1371 IonicContact CZ-OE2 3.54Å; R1113-E1371 IonicContact NE-OE2 2.72Å; R1113-E1371 PolarHBondContact NE-OE2 3.17Å; R1113-E1371 VanDerWaalsContact NE-OE2 3.11Å; R1113-E1371 IonicContact NH2-OE2 3.48Å; R1113-E1371 PolarHBondContact NH2-OE2 3.44Å; I1117-E1371 HydrophobicContact CD1-CB 3.84Å; A1367-E1371 WeakPolarHBondContact O-CB 3.49Å; A1367-E1371 WeakPolarHBondContact O-CG 3.33Å; A1367-E1371 PolarHBondContact O-N 3.13Å; I1368-E1371 PolarHBondContact O-N 3.43Å; E1371-H1374 PolarHBondContact O-N 2.89Å; E1371-V1375 WeakPolarHBondContact O-CG2 3.14Å; E1371-V1375 PolarHBondContact O-N 3.07Å
1372M89.8Confident86.7Confident1 Ų145 Ų451%0.00524%0.236CC..Hα-helixtrans-66.9-41.2177-74.1-159.761.600112.5L1085 L1114 I1117 I1368 H1374 V1375 I1376 L1388 L1391L1085-M1372 HydrophobicContact CD1-CE 4.27Å; L1085-M1372 HydrophobicContact CD2-CE 4.36Å; L1114-M1372 HydrophobicContact CD1-CE 3.81Å; I1117-M1372 HydrophobicContact CD1-CG 4.42Å; I1117-M1372 HydrophobicContact CG2-CG 4.06Å; I1117-M1372 HydrophobicContact CG2-SD 4.49Å; I1368-M1372 HydrophobicContact CG2-CG 4.14Å; I1368-M1372 HydrophobicContact CG2-SD 4.06Å; I1368-M1372 VanDerWaalsContact O-CB 3.29Å; I1368-M1372 WeakPolarHBondContact O-CB 3.31Å; I1368-M1372 VanDerWaalsContact O-CG 3.3Å; I1368-M1372 WeakPolarHBondContact O-CG 3.32Å; I1368-M1372 PolarHBondContact O-N 3.32Å; M1372-H1374 VanDerWaalsContact C-N 3.34Å; M1372-V1375 PolarHBondContact O-N 3.35Å; M1372-I1376 WeakPolarHBondContact O-CG1 3.43Å; M1372-I1376 PolarHBondContact O-N 2.99Å; M1372-I1376 VanDerWaalsContact O-N 3.13Å; M1372-L1388 HydrophobicContact CB-CD2 3.9Å; M1372-L1388 HydrophobicContact CE-CD2 4.11Å; M1372-L1391 HydrophobicContact CE-CD2 3.53Å; M1372-L1391 HydrophobicContact SD-CD2 3.6Å; M1372-L1391 VanDerWaalsContact SD-CD2 3.6Å
1373H88.5Confident86.5Confident83 Ų8340 Ų4038%0.38421%0.213SC..Hα-helixtrans-59.8-45.3172.1-179.2-73.7000110.6E1369 C1370 V1375 I1376 S1377 L1388E1369-H1373 VanDerWaalsContact O-CB 3.28Å; E1369-H1373 WeakPolarHBondContact O-CB 3.5Å; E1369-H1373 PolarHBondContact O-N 3.5Å; C1370-H1373 PolarHBondContact O-N 2.88Å; H1373-V1375 PolarHBondContact O-N 3.14Å; H1373-I1376 PolarHBondContact O-N 3.25Å; H1373-S1377 PolarHBondContact ND1-OG 3.4Å; H1373-S1377 WeakPolarHBondContact O-CB 3.27Å; H1373-S1377 PolarHBondContact O-N 2.84Å; H1373-S1377 PolarHBondContact O-OG 2.83Å; H1373-L1388 HydrophobicContact CB-CD1 4.5Å
1374H84.2Confident86.5Confident91 Ų9138.6 Ų38.642%0.42120%0.201SC..Hα-helixtrans-59.5-45.5178.7-172.556.5000112.2C1370 E1371 M1372 I1376 S1377 F1378C1370-H1374 WeakPolarHBondContact O-CB 3.38Å; C1370-H1374 PolarHBondContact O-N 2.98Å; E1371-H1374 PolarHBondContact O-N 2.89Å; M1372-H1374 VanDerWaalsContact C-N 3.34Å; H1374-I1376 PolarHBondContact O-N 2.89Å; H1374-S1377 PolarHBondContact O-OG 2.97Å; H1374-F1378 PolarHBondContact O-N 3.42Å
1375V85.3Confident86.4Confident1 Ų142.2 Ų42.21%0.00622%0.215CC..Hα-helixtrans-61.3-40.7178.2170.70000112.8M1092 R1113 L1114 I1117 E1371 M1372 H1373M1092-V1375 HydrophobicContact CE-CG1 4.13Å; M1092-V1375 HydrophobicContact SD-CG1 4.37Å; R1113-V1375 HydrophobicContact CB-CG2 3.89Å; R1113-V1375 HydrophobicContact CG-CG2 3.5Å; R1113-V1375 VanDerWaalsContact CG-CG2 3.5Å; L1114-V1375 HydrophobicContact CB-CG1 4.22Å; I1117-V1375 HydrophobicContact CD1-CG2 4.25Å; E1371-V1375 WeakPolarHBondContact O-CG2 3.14Å; E1371-V1375 PolarHBondContact O-N 3.07Å; M1372-V1375 PolarHBondContact O-N 3.35Å; H1373-V1375 PolarHBondContact O-N 3.14Å
1376I84.7Confident86.3Confident8 Ų840.2 Ų40.24%0.04121%0.207CC..Hα-helixtrans-81.2-41.3-177.6-66.9165.8000111.7L1085 M1372 H1373 H1374 F1378 V1383 L1388L1085-I1376 HydrophobicContact CD2-CD1 3.69Å; M1372-I1376 WeakPolarHBondContact O-CG1 3.43Å; M1372-I1376 PolarHBondContact O-N 2.99Å; M1372-I1376 VanDerWaalsContact O-N 3.13Å; H1373-I1376 PolarHBondContact O-N 3.25Å; H1374-I1376 PolarHBondContact O-N 2.89Å; I1376-F1378 PolarHBondContact O-N 2.91Å; I1376-V1383 HydrophobicContact CG2-CG2 3.88Å; I1376-L1388 HydrophobicContact CD1-CD2 3.97Å
1377S82.2Confident86.4Confident43 Ų4335.2 Ų35.230%0.30119%0.186SC..Hα-helixtrans-70.6-17.5-178.662.90000113.9H1373 H1374 D1379 G1380 S1381H1373-S1377 PolarHBondContact ND1-OG 3.4Å; H1373-S1377 WeakPolarHBondContact O-CB 3.27Å; H1373-S1377 PolarHBondContact O-N 2.84Å; H1373-S1377 PolarHBondContact O-OG 2.83Å; H1374-S1377 PolarHBondContact O-OG 2.97Å; S1377-D1379 VanDerWaalsContact C-N 3.3Å; S1377-D1379 PolarHBondContact O-N 3.32Å; S1377-G1380 WeakPolarHBondContact O-CA 3.34Å; S1377-G1380 PolarHBondContact O-N 2.71Å; S1377-S1381 WeakPolarHBondContact CA-O 3.34Å
1378F70Confident86.5Confident115 Ų11534.8 Ų34.850%0.50418%0.181SC..THydrogen-bonded Turntrans-56.2-40.7176.9-178-102.7000113.1L1109 H1374 I1376 G1380L1109-F1378 HydrophobicContact CD1-CD1 4.45Å; L1109-F1378 HydrophobicContact CD1-CD2 3.82Å; L1109-F1378 HydrophobicContact CD1-CE1 4.25Å; L1109-F1378 HydrophobicContact CD1-CE2 3.58Å; L1109-F1378 HydrophobicContact CD1-CG 4.25Å; L1109-F1378 HydrophobicContact CD1-CZ 3.82Å; H1374-F1378 PolarHBondContact O-N 3.42Å; I1376-F1378 PolarHBondContact O-N 2.91Å; F1378-G1380 PolarHBondContact O-N 3.37Å
1379D65.3Low86.5Confident27 Ų2734.9 Ų34.914%0.14418%0.182CC..THydrogen-bonded Turntrans-80.95.2177.3-80.423.9000113.1M1092 S1377 S1381M1092-D1379 WeakPolarHBondContact CA-OD2 3.34Å; M1092-D1379 WeakPolarHBondContact CG-OD2 3.17Å; S1377-D1379 VanDerWaalsContact C-N 3.3Å; S1377-D1379 PolarHBondContact O-N 3.32Å; D1379-S1381 PolarHBondContact O-N 3.39Å
1380G72.6Confident86.6Confident37 Ų3733.5 Ų33.538%0.38118%0.175SC..THydrogen-bonded Turntrans73.18.1-170.200000114.1S1377 F1378 M1834S1377-G1380 WeakPolarHBondContact O-CA 3.34Å; S1377-G1380 PolarHBondContact O-N 2.71Å; F1378-G1380 PolarHBondContact O-N 3.37Å; G1380-M1834 WeakPolarHBondContact O-CE 3.12Å
1381S81.5Confident86.8Confident26 Ų2630.3 Ų30.318%0.18215%0.154CC..  trans-74.6137.2175.3-71.90000111.2S1377 D1379S1377-S1381 WeakPolarHBondContact CA-O 3.34Å; D1379-S1381 PolarHBondContact O-N 3.39Å
1382Y86.8Confident87Confident67 Ų6728.5 Ų28.526%0.26315%0.146SC..  trans-110.4132.7172.8174.8-105.2000110A520 N521 F893 N1384A520-Y1382 HydrophobicContact CB-CD1 4.06Å; A520-Y1382 WeakPolarHBondContact CB-O 3.19Å; N521-Y1382 WeakPolarHBondContact OD1-CE1 3.41Å; F893-Y1382 HydrophobicContact CE1-CE2 4.46Å; F893-Y1382 HydrophobicContact CE2-CD1 4.48Å; F893-Y1382 HydrophobicContact CE2-CE1 4.21Å; F893-Y1382 AromaticContact CZ-CD1 3.99Å; F893-Y1382 HydrophobicContact CZ-CD1 3.99Å; F893-Y1382 HydrophobicContact CZ-CD2 4.4Å; F893-Y1382 AromaticContact CZ-CE1 3.63Å; F893-Y1382 HydrophobicContact CZ-CE1 3.63Å; F893-Y1382 HydrophobicContact CZ-CE2 4.07Å; F893-Y1382 HydrophobicContact CZ-CG 4.37Å; F893-Y1382 AromaticContact CZ-CZ 3.68Å; Y1382-N1384 HydrophobicContact CE1-CB 4.48Å
1383V91.2Very high87.2Confident6 Ų629 Ų294%0.03615%0.148CC..  trans-124.7135.9168.6175.80000107.8Q519 L1085 P1088 I1376 H1387Q519-V1383 WeakPolarHBondContact O-CA 3.48Å; L1085-V1383 HydrophobicContact CD2-CG1 3.9Å; P1088-V1383 HydrophobicContact CG-CG2 3.84Å; I1376-V1383 HydrophobicContact CG2-CG2 3.88Å; V1383-H1387 HydrophobicContact CG1-CB 4.06Å
1384N93.2Very high87.4Confident4 Ų425.6 Ų25.62%0.02113%0.133CC..  trans-62.1136-178.2-169.1-51.6000111.1Q519 N521 Y1382 R1386 H1387Q519-N1384 PolarHBondContact O-N 2.89Å; N521-N1384 PolarHBondContact ND2-ND2 3.46Å; Y1382-N1384 HydrophobicContact CE1-CB 4.48Å; N1384-R1386 HydrophobicContact CB-CG 4.41Å; N1384-R1386 PolarHBondContact O-N 3.39Å; N1384-R1386 VanDerWaalsContact O-N 3.07Å; N1384-R1386 WeakPolarHBondContact OD1-CG 3.26Å; N1384-R1386 PolarHBondContact OD1-N 3.49Å; N1384-R1386 PolarHBondContact OD1-NE 3.04Å; N1384-H1387 PolarHBondContact O-N 2.93Å; N1384-H1387 VanDerWaalsContact O-N 3.08Å
1385Y92.8Very high87.8Confident77 Ų7721.3 Ų21.330%0.30211%0.113SC..Hα-helixtrans-43.6-44.2-178.6173.8-106.6000113.4E1369 H1387 L1388 A1389E1369-Y1385 HydrophobicContact CG-CE2 4.26Å; Y1385-H1387 PolarHBondContact O-N 3.39Å; Y1385-H1387 VanDerWaalsContact O-N 3.14Å; Y1385-L1388 WeakPolarHBondContact O-CB 3.44Å; Y1385-L1388 PolarHBondContact O-N 3.34Å; Y1385-A1389 HydrophobicContact CD1-CB 4.35Å; Y1385-A1389 HydrophobicContact CE1-CB 3.87Å; Y1385-A1389 HydrophobicContact CE2-CB 4.23Å; Y1385-A1389 WeakPolarHBondContact O-CB 3.45Å; Y1385-A1389 PolarHBondContact O-N 3.01Å
1386R93.6Very high88.2Confident5 Ų521.8 Ų21.82%0.01912%0.116CC..Hα-helixtrans-56.8-32.4-176.467.3-173.664.6-110.6-2.8114.7Y881 D884 L886 N1384 L1390Y881-R1386 HydrophobicContact CE1-CG 4.49Å; Y881-R1386 HydrophobicContact CE2-CB 4.29Å; Y881-R1386 HydrophobicContact CE2-CG 4.41Å; Y881-R1386 VanDerWaalsContact CZ-CD 3.46Å; Y881-R1386 VanDerWaalsContact OH-CD 3.24Å; Y881-R1386 WeakPolarHBondContact OH-CD 3.16Å; D884-R1386 VanDerWaalsContact CG-NH2 3.3Å; D884-R1386 IonicContact OD1-CZ 2.84Å; D884-R1386 IonicContact OD1-NH1 3.9Å; D884-R1386 PolarHBondContact OD1-NH1 3.41Å; D884-R1386 IonicContact OD1-NH2 3.1Å; D884-R1386 PolarHBondContact OD1-NH2 3.18Å; D884-R1386 VanDerWaalsContact OD1-NH2 3.09Å; D884-R1386 IonicContact OD2-CZ 3.15Å; D884-R1386 IonicContact OD2-NH1 3.9Å; D884-R1386 IonicContact OD2-NH2 2.74Å; D884-R1386 PolarHBondContact OD2-NH2 3.24Å; L886-R1386 PolarHBondContact O-NH1 2.98Å; N1384-R1386 HydrophobicContact CB-CG 4.41Å; N1384-R1386 PolarHBondContact O-N 3.39Å; N1384-R1386 VanDerWaalsContact O-N 3.07Å; N1384-R1386 WeakPolarHBondContact OD1-CG 3.26Å; N1384-R1386 PolarHBondContact OD1-N 3.49Å; N1384-R1386 PolarHBondContact OD1-NE 3.04Å; R1386-L1390 VanDerWaalsContact O-CB 3.28Å; R1386-L1390 WeakPolarHBondContact O-CB 3.43Å; R1386-L1390 PolarHBondContact O-N 2.98Å
1387H94.5Very high88.5Confident0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-77.4-35.4179.4-56.4-53.7000111.8P518 Y881 A1081 V1383 N1384 Y1385 L1391P518-H1387 PolarHBondContact O-NE2 3Å; Y881-H1387 PolarHBondContact OH-CE1 2.83Å; A1081-H1387 WeakPolarHBondContact CA-ND1 3.43Å; A1081-H1387 HydrophobicContact CB-CB 3.9Å; V1383-H1387 HydrophobicContact CG1-CB 4.06Å; N1384-H1387 PolarHBondContact O-N 2.93Å; N1384-H1387 VanDerWaalsContact O-N 3.08Å; Y1385-H1387 PolarHBondContact O-N 3.39Å; Y1385-H1387 VanDerWaalsContact O-N 3.14Å; H1387-L1391 PolarHBondContact O-N 3.3Å
1388L93.3Very high88.7Confident5 Ų525.2 Ų25.23%0.02613%0.129CC..Hα-helixtrans-69.3-49.7173.3-69.3167000110.7L1085 M1372 H1373 I1376 Y1385 L1390 L1391 C1392L1085-L1388 HydrophobicContact CD2-CD2 3.5Å; L1085-L1388 VanDerWaalsContact CD2-CD2 3.5Å; L1085-L1388 HydrophobicContact CD2-CG 4.13Å; M1372-L1388 HydrophobicContact CB-CD2 3.9Å; M1372-L1388 HydrophobicContact CE-CD2 4.11Å; H1373-L1388 HydrophobicContact CB-CD1 4.5Å; I1376-L1388 HydrophobicContact CD1-CD2 3.97Å; Y1385-L1388 WeakPolarHBondContact O-CB 3.44Å; Y1385-L1388 PolarHBondContact O-N 3.34Å; L1388-L1390 PolarHBondContact O-N 3.11Å; L1388-L1391 PolarHBondContact O-N 3.4Å; L1388-C1392 PolarHBondContact O-N 2.9Å; L1388-C1392 PolarHBondContact O-SG 2.87Å
1389A94Very high89.5Confident2 Ų222 Ų222%0.01713%0.128CC..Hα-helixtrans-55.7-50.3178.100000111.4Y1385 L1391 C1392 D1393Y1385-A1389 HydrophobicContact CD1-CB 4.35Å; Y1385-A1389 HydrophobicContact CE1-CB 3.87Å; Y1385-A1389 HydrophobicContact CE2-CB 4.23Å; Y1385-A1389 WeakPolarHBondContact O-CB 3.45Å; Y1385-A1389 PolarHBondContact O-N 3.01Å; A1389-L1391 VanDerWaalsContact C-N 3.26Å; A1389-L1391 PolarHBondContact O-N 2.93Å; A1389-C1392 WeakPolarHBondContact O-CB 3.48Å; A1389-C1392 PolarHBondContact O-N 3.48Å; A1389-D1393 PolarHBondContact O-N 3.43Å
1390L95Very high90.7Very high0 Ų024.1 Ų24.10%014%0.138CC..Hα-helixtrans-59.3-36.1-179.9-173.961.7000112.8V861 V869 I877 Q878 Y881 V1077 A1081 R1386 L1388 I1394V861-L1390 HydrophobicContact CG1-CD1 4.13Å; V861-L1390 HydrophobicContact CG1-CD2 4.31Å; V869-L1390 HydrophobicContact CG1-CD1 3.91Å; I877-L1390 HydrophobicContact CG2-CD1 3.93Å; Q878-L1390 HydrophobicContact CG-CD1 4.3Å; Y881-L1390 HydrophobicContact CE2-CD2 4.47Å; V1077-L1390 HydrophobicContact CB-CD2 4.26Å; V1077-L1390 HydrophobicContact CG2-CD2 4.02Å; A1081-L1390 HydrophobicContact CB-CD2 4.08Å; R1386-L1390 VanDerWaalsContact O-CB 3.28Å; R1386-L1390 WeakPolarHBondContact O-CB 3.43Å; R1386-L1390 PolarHBondContact O-N 2.98Å; L1388-L1390 PolarHBondContact O-N 3.11Å; L1390-I1394 HydrophobicContact CD1-CD1 4.24Å; L1390-I1394 HydrophobicContact CG-CD1 4.07Å; L1390-I1394 WeakPolarHBondContact O-CB 3.48Å; L1390-I1394 WeakPolarHBondContact O-CD1 3.4Å; L1390-I1394 VanDerWaalsContact O-CG1 3.24Å; L1390-I1394 WeakPolarHBondContact O-CG1 3.17Å; L1390-I1394 PolarHBondContact O-N 2.68Å; L1390-I1394 VanDerWaalsContact O-N 3.09Å
1391L94.2Very high91.5Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-69-44.5174.7-173.766.6000112L854 M858 L1085 M1372 H1387 L1388 A1389 D1393 I1394 M1395 I1404L854-L1391 HydrophobicContact CD2-CD1 3.72Å; L854-L1391 HydrophobicContact CD2-CD2 3.94Å; M858-L1391 HydrophobicContact CE-CD1 3.83Å; M858-L1391 HydrophobicContact SD-CB 4.43Å; M858-L1391 HydrophobicContact SD-CD1 3.56Å; M858-L1391 VanDerWaalsContact SD-CD1 3.56Å; L1085-L1391 HydrophobicContact CD1-CB 4.03Å; L1085-L1391 HydrophobicContact CD1-CD2 3.53Å; L1085-L1391 HydrophobicContact CD1-CG 4.34Å; M1372-L1391 HydrophobicContact CE-CD2 3.53Å; M1372-L1391 HydrophobicContact SD-CD2 3.6Å; M1372-L1391 VanDerWaalsContact SD-CD2 3.6Å; H1387-L1391 PolarHBondContact O-N 3.3Å; L1388-L1391 PolarHBondContact O-N 3.4Å; A1389-L1391 VanDerWaalsContact C-N 3.26Å; A1389-L1391 PolarHBondContact O-N 2.93Å; L1391-D1393 VanDerWaalsContact C-N 3.3Å; L1391-D1393 PolarHBondContact O-N 3.25Å; L1391-I1394 PolarHBondContact O-N 3.23Å; L1391-M1395 WeakPolarHBondContact O-CG 3.19Å; L1391-M1395 PolarHBondContact O-N 2.95Å; L1391-I1404 HydrophobicContact CD1-CD1 3.35Å; L1391-I1404 HydrophobicContact CG-CD1 4.16Å
1392C94.4Very high91.9Very high1 Ų123 Ų231%0.00712%0.12CC..Hα-helixtrans-60.8-41.6177.3-620000111.2R1365 L1388 A1389 M1395 T1396R1365-C1392 HydrophobicContact CG-CB 4.28Å; L1388-C1392 PolarHBondContact O-N 2.9Å; L1388-C1392 PolarHBondContact O-SG 2.87Å; A1389-C1392 WeakPolarHBondContact O-CB 3.48Å; A1389-C1392 PolarHBondContact O-N 3.48Å; C1392-M1395 PolarHBondContact O-N 3.1Å; C1392-T1396 WeakPolarHBondContact O-CB 3.41Å; C1392-T1396 WeakPolarHBondContact O-CG2 3.48Å; C1392-T1396 PolarHBondContact O-N 3.32Å; C1392-T1396 PolarHBondContact O-OG1 2.84Å
1393D94.3Very high92.2Very high11 Ų1120.7 Ų20.76%0.05912%0.115CC..Hα-helixtrans-62.7-48176.6-60.7-19.5000110.6I877 Q878 R1365 A1389 L1391 M1395 T1396 V1397I877-D1393 HydrophobicContact CG2-CB 3.77Å; Q878-D1393 WeakPolarHBondContact CG-OD2 3.2Å; Q878-D1393 PolarHBondContact NE2-OD2 2.78Å; R1365-D1393 IonicContact CZ-OD1 2.66Å; R1365-D1393 IonicContact NE-OD1 3.73Å; R1365-D1393 PolarHBondContact NE-OD1 3.17Å; R1365-D1393 IonicContact NH2-OD1 2.72Å; R1365-D1393 PolarHBondContact NH2-OD1 3.33Å; R1365-D1393 IonicContact NH2-OD2 3.5Å; R1365-D1393 PolarHBondContact NH2-OD2 3.5Å; A1389-D1393 PolarHBondContact O-N 3.43Å; L1391-D1393 VanDerWaalsContact C-N 3.3Å; L1391-D1393 PolarHBondContact O-N 3.25Å; D1393-M1395 PolarHBondContact O-N 3.16Å; D1393-T1396 PolarHBondContact O-N 3.39Å; D1393-T1396 PolarHBondContact O-OG1 3.32Å; D1393-V1397 VanDerWaalsContact O-CB 3.25Å; D1393-V1397 WeakPolarHBondContact O-CB 3.26Å; D1393-V1397 PolarHBondContact O-N 2.91Å
1394I92.9Very high92.2Very high12 Ų1220.4 Ų20.46%0.06211%0.113CC..Hα-helixtrans-61.3-34.1177.5-72.2165.9000111.7M858 V861 I877 L1390 L1391 T1396 M1402M858-I1394 HydrophobicContact CB-CD1 4.29Å; M858-I1394 HydrophobicContact CG-CD1 3.68Å; M858-I1394 HydrophobicContact SD-CD1 3.55Å; M858-I1394 VanDerWaalsContact SD-CD1 3.55Å; V861-I1394 HydrophobicContact CG1-CD1 4.43Å; V861-I1394 HydrophobicContact CG2-CD1 3.92Å; I877-I1394 HydrophobicContact CD1-CD1 4.43Å; I877-I1394 HydrophobicContact CD1-CG1 4.07Å; I877-I1394 HydrophobicContact CG2-CG1 3.96Å; L1390-I1394 HydrophobicContact CD1-CD1 4.24Å; L1390-I1394 HydrophobicContact CG-CD1 4.07Å; L1390-I1394 WeakPolarHBondContact O-CB 3.48Å; L1390-I1394 WeakPolarHBondContact O-CD1 3.4Å; L1390-I1394 VanDerWaalsContact O-CG1 3.24Å; L1390-I1394 WeakPolarHBondContact O-CG1 3.17Å; L1390-I1394 PolarHBondContact O-N 2.68Å; L1390-I1394 VanDerWaalsContact O-N 3.09Å; L1391-I1394 PolarHBondContact O-N 3.23Å; I1394-T1396 VanDerWaalsContact C-N 3.3Å; I1394-T1396 PolarHBondContact O-N 3.13Å; I1394-M1402 HydrophobicContact CG2-CE 3.6Å; I1394-M1402 VanDerWaalsContact O-CE 3.26Å; I1394-M1402 WeakPolarHBondContact O-CE 3.5Å
1395M93.1Very high92.1Very high1 Ų121.5 Ų21.51%0.00512%0.12CC..Hα-helixtrans-73-14.8174.7-71.2-175.666.800114.6V1120 I1368 L1391 C1392 D1393 M1402 I1404V1120-M1395 HydrophobicContact CG2-CE 3.71Å; I1368-M1395 HydrophobicContact CD1-CB 4.39Å; I1368-M1395 HydrophobicContact CD1-CE 4.28Å; I1368-M1395 HydrophobicContact CG2-SD 4.38Å; L1391-M1395 WeakPolarHBondContact O-CG 3.19Å; L1391-M1395 PolarHBondContact O-N 2.95Å; C1392-M1395 PolarHBondContact O-N 3.1Å; D1393-M1395 PolarHBondContact O-N 3.16Å; M1395-M1402 PolarHBondContact O-N 3.15Å; M1395-I1404 HydrophobicContact CG-CD1 3.9Å; M1395-I1404 HydrophobicContact CG-CG1 4Å; M1395-I1404 HydrophobicContact SD-CD1 3.86Å; M1395-I1404 HydrophobicContact SD-CG1 4.13Å
1396T93.5Very high91.7Very high10 Ų1022.2 Ų22.26%0.06112%0.122CC..Hα-helixtrans-124.4-22.2-170.453.40000115.3I1361 V1364 R1365 I1368 C1392 D1393 I1394 K1398 G1399I1361-T1396 HydrophobicContact CD1-CG2 3.79Å; I1361-T1396 HydrophobicContact CG1-CG2 4.21Å; V1364-T1396 HydrophobicContact CG1-CG2 4.04Å; R1365-T1396 HydrophobicContact CB-CG2 4.22Å; I1368-T1396 HydrophobicContact CD1-CG2 4.26Å; C1392-T1396 WeakPolarHBondContact O-CB 3.41Å; C1392-T1396 WeakPolarHBondContact O-CG2 3.48Å; C1392-T1396 PolarHBondContact O-N 3.32Å; C1392-T1396 PolarHBondContact O-OG1 2.84Å; D1393-T1396 PolarHBondContact O-N 3.39Å; D1393-T1396 PolarHBondContact O-OG1 3.32Å; I1394-T1396 VanDerWaalsContact C-N 3.3Å; I1394-T1396 PolarHBondContact O-N 3.13Å; T1396-K1398 PolarHBondContact O-N 3.42Å; T1396-G1399 PolarHBondContact O-N 3.05Å
1397V90.7Very high91.3Very high54 Ų5426.9 Ų26.933%0.32714%0.144SC..THydrogen-bonded Turntrans-55.6-20.4-171.368.30000116D1393 G1399D1393-V1397 VanDerWaalsContact O-CB 3.25Å; D1393-V1397 WeakPolarHBondContact O-CB 3.26Å; D1393-V1397 PolarHBondContact O-N 2.91Å; V1397-G1399 VanDerWaalsContact C-N 3.33Å
1398K86.4Confident90.7Very high69 Ų6927.1 Ų27.130%0.315%0.147SC..THydrogen-bonded Turntrans-86.31.9175.7-69.2-67.3-165.8-175.30113.7Q875 T1396 H1400 D1413Q875-K1398 VanDerWaalsContact OE1-CE 3.22Å; T1396-K1398 PolarHBondContact O-N 3.42Å; K1398-H1400 PolarHBondContact O-N 2.88Å; K1398-D1413 WeakPolarHBondContact CE-OD2 3.45Å; K1398-D1413 IonicContact NZ-OD2 2.66Å; K1398-D1413 PolarHBondContact NZ-OD2 3.05Å
1399G87.5Confident90.2Very high47 Ų4727.4 Ų27.449%0.48515%0.148SC..SBendtrans77.23.9-175.400000114.3T1396 V1397T1396-G1399 PolarHBondContact O-N 3.05Å; V1397-G1399 VanDerWaalsContact C-N 3.33Å
1400H88.8Confident89.6Confident73 Ų7327.8 Ų27.834%0.33815%0.15SC..SBendtrans-137.8153.9173.666.766.3000109.6K1398 M1402K1398-H1400 PolarHBondContact O-N 2.88Å; H1400-M1402 PolarHBondContact O-N 3.49Å
1401L90.7Very high88.7Confident30 Ų3035.8 Ų35.816%0.15718%0.18CC..  trans-59.5118174.7-83.3166.3000111.7V1120 I1352 F1356 V1364 I1368V1120-L1401 HydrophobicContact CG1-CB 4.2Å; V1120-L1401 HydrophobicContact CG1-CD1 3.88Å; V1120-L1401 HydrophobicContact CG1-CD2 4.45Å; V1120-L1401 HydrophobicContact CG1-CG 4.41Å; V1120-L1401 HydrophobicContact CG2-CD2 4.4Å; I1352-L1401 HydrophobicContact CG2-CD1 4.19Å; I1352-L1401 HydrophobicContact CG2-CD2 4.06Å; F1356-L1401 HydrophobicContact CB-CD1 3.88Å; F1356-L1401 HydrophobicContact CG-CD1 4.14Å; V1364-L1401 HydrophobicContact CG1-CD1 4.4Å; V1364-L1401 HydrophobicContact CG1-CD2 3.44Å; V1364-L1401 VanDerWaalsContact CG1-CD2 3.44Å; V1364-L1401 HydrophobicContact CG1-CG 4.02Å; I1368-L1401 HydrophobicContact CD1-CD2 3.98Å
1402M89.9Confident88Confident8 Ų837 Ų374%0.03919%0.187CC..  trans-102.4102.9173.4-173.1-173.475.700110.7I1394 M1395 H1400 L1412I1394-M1402 HydrophobicContact CG2-CE 3.6Å; I1394-M1402 VanDerWaalsContact O-CE 3.26Å; I1394-M1402 WeakPolarHBondContact O-CE 3.5Å; M1395-M1402 PolarHBondContact O-N 3.15Å; H1400-M1402 PolarHBondContact O-N 3.49Å; M1402-L1412 HydrophobicContact CE-CD1 4.24Å; M1402-L1412 HydrophobicContact CE-CD2 4.44Å; M1402-L1412 HydrophobicContact SD-CD1 3.89Å; M1402-L1412 HydrophobicContact SD-CD2 3.52Å; M1402-L1412 VanDerWaalsContact SD-CD2 3.52Å; M1402-L1412 HydrophobicContact SD-CG 3.61Å
1403A92.3Very high87Confident19 Ų1940.3 Ų40.316%0.15720%0.204CC..  trans-66.9135.2171.400000111.5N1119 V1120 T1405 G1408N1119-A1403 VanDerWaalsContact O-CB 3.26Å; N1119-A1403 WeakPolarHBondContact O-CB 3.38Å; V1120-A1403 HydrophobicContact CB-CB 4.11Å; V1120-A1403 HydrophobicContact CG2-CB 3.92Å; A1403-T1405 HydrophobicContact CB-CG2 4.28Å; A1403-T1405 PolarHBondContact O-N 3.26Å; A1403-G1408 WeakPolarHBondContact O-CA 3.43Å
1404I92Very high86.3Confident0 Ų040.9 Ų40.90%021%0.208CC..SBendtrans-83.249.2-175.8-41.5-174.6000110.7R853 L854 A857 I1118 L1391 M1395R853-I1404 PolarHBondContact NE-O 3.22Å; R853-I1404 PolarHBondContact NH2-O 2.78Å; L854-I1404 HydrophobicContact CD2-CD1 3.93Å; A857-I1404 HydrophobicContact CB-CG2 3.47Å; A857-I1404 VanDerWaalsContact CB-CG2 3.47Å; I1118-I1404 HydrophobicContact CG2-CB 3.75Å; I1118-I1404 HydrophobicContact CG2-CD1 4.3Å; I1118-I1404 HydrophobicContact CG2-CG1 4.2Å; I1118-I1404 PolarHBondContact O-N 3.37Å; L1391-I1404 HydrophobicContact CD1-CD1 3.35Å; L1391-I1404 HydrophobicContact CG-CD1 4.16Å; M1395-I1404 HydrophobicContact CG-CD1 3.9Å; M1395-I1404 HydrophobicContact CG-CG1 4Å; M1395-I1404 HydrophobicContact SD-CD1 3.86Å; M1395-I1404 HydrophobicContact SD-CG1 4.13Å
1405T90Very high85.8Confident27 Ų2740.7 Ų40.717%0.16621%0.209CC..SBendtrans-111.3169.2178.863.60000109R853 A1403 H1407 G1408 L1409R853-T1405 VanDerWaalsContact NH2-CG2 3.31Å; A1403-T1405 HydrophobicContact CB-CG2 4.28Å; A1403-T1405 PolarHBondContact O-N 3.26Å; T1405-H1407 PolarHBondContact O-N 2.92Å; T1405-H1407 PolarHBondContact OG1-N 2.9Å; T1405-G1408 PolarHBondContact O-N 2.76Å; T1405-G1408 PolarHBondContact OG1-N 3.18Å; T1405-L1409 WeakPolarHBondContact O-CG 3.48Å; T1405-L1409 PolarHBondContact O-N 3.23Å
1406R84.8Confident85.7Confident92 Ų9240.7 Ų40.735%0.34721%0.209SC..Hα-helixtrans-47.8-34.3167.251.4153.1-177.4-99.94.9113.1N1410 F1422 E1423 E1424R1406-N1410 WeakPolarHBondContact O-CB 3.09Å; R1406-N1410 PolarHBondContact O-N 3.39Å; R1406-N1410 PolarHBondContact O-ND2 2.8Å; R1406-F1422 HydrophobicContact CB-CD1 4.24Å; R1406-F1422 HydrophobicContact CB-CE1 3.92Å; R1406-E1423 HydrophobicContact CB-CB 4.36Å; R1406-E1423 WeakPolarHBondContact CD-OE2 3.47Å; R1406-E1423 WeakPolarHBondContact CG-OE2 3.47Å; R1406-E1423 IonicContact CZ-OE2 2.8Å; R1406-E1423 IonicContact NE-OE2 3.81Å; R1406-E1423 IonicContact NH1-OE2 3.75Å; R1406-E1423 PolarHBondContact NH1-OE2 3.02Å; R1406-E1424 WeakPolarHBondContact CD-OE1 3.35Å; R1406-E1424 IonicContact NE-OE1 2.91Å
1407H85.4Confident85.5Confident103 Ų10341 Ų4148%0.47721%0.21SC..Hα-helixtrans-75.2-26-177.7-60.9-55.9000114T1405 R1411T1405-H1407 PolarHBondContact O-N 2.92Å; T1405-H1407 PolarHBondContact OG1-N 2.9Å; H1407-R1411 VanDerWaalsContact O-CD 3.26Å; H1407-R1411 WeakPolarHBondContact O-CD 3.47Å; H1407-R1411 VanDerWaalsContact O-CG 3.26Å; H1407-R1411 WeakPolarHBondContact O-CG 3.46Å; H1407-R1411 PolarHBondContact O-NE 3.49Å
1408G81.7Confident85.4Confident5 Ų538.9 Ų38.95%0.05220%0.199CC..Hα-helixtrans-86.8-42.4170.600000112.2A1403 T1405 N1410 R1411 L1412A1403-G1408 WeakPolarHBondContact O-CA 3.43Å; T1405-G1408 PolarHBondContact O-N 2.76Å; T1405-G1408 PolarHBondContact OG1-N 3.18Å; G1408-N1410 VanDerWaalsContact C-N 3.33Å; G1408-N1410 PolarHBondContact O-N 3.12Å; G1408-R1411 WeakPolarHBondContact O-CA 3.49Å; G1408-R1411 WeakPolarHBondContact O-CB 3.46Å; G1408-R1411 PolarHBondContact O-N 3.49Å; G1408-L1412 PolarHBondContact O-N 2.96Å
1409L82.1Confident85.4Confident11 Ų1136.5 Ų36.56%0.05819%0.188CC..Hα-helixtrans-61.5-38.8177.3-63.6179.4000112.3K856 A857 T1405 R1411 L1412 F1422K856-L1409 HydrophobicContact CB-CD1 4.45Å; A857-L1409 HydrophobicContact CB-CD2 3.66Å; T1405-L1409 WeakPolarHBondContact O-CG 3.48Å; T1405-L1409 PolarHBondContact O-N 3.23Å; L1409-R1411 PolarHBondContact O-N 3.17Å; L1409-L1412 HydrophobicContact CD2-CD1 3.9Å; L1409-L1412 WeakPolarHBondContact O-CB 3.36Å; L1409-L1412 PolarHBondContact O-N 3.28Å; L1409-L1412 VanDerWaalsContact O-N 3.17Å; L1409-F1422 HydrophobicContact CD1-CD1 3.89Å; L1409-F1422 HydrophobicContact CD1-CE1 4.02Å; L1409-F1422 HydrophobicContact CD1-CG 4.39Å
1410N81Confident85.5Confident11 Ų1134.3 Ų34.36%0.05917%0.165CC..THydrogen-bonded Turntrans-75.3-0.4176.3-65.1-8.9000114R135 R1406 G1408 E1424R135-N1410 PolarHBondContact NH1-O 2.94Å; R135-N1410 VanDerWaalsContact NH1-O 3.1Å; R1406-N1410 WeakPolarHBondContact O-CB 3.09Å; R1406-N1410 PolarHBondContact O-N 3.39Å; R1406-N1410 PolarHBondContact O-ND2 2.8Å; G1408-N1410 VanDerWaalsContact C-N 3.33Å; G1408-N1410 PolarHBondContact O-N 3.12Å; N1410-E1424 PolarHBondContact ND2-OE2 3.43Å
1411R77.8Confident85.3Confident168 Ų16831.1 Ų31.163%0.63415%0.151SC*.THydrogen-bonded Turntrans-104.2-10170.3-68.6173.3-179.7-168.4-0.3113.2H1407 G1408 L1409H1407-R1411 VanDerWaalsContact O-CD 3.26Å; H1407-R1411 WeakPolarHBondContact O-CD 3.47Å; H1407-R1411 VanDerWaalsContact O-CG 3.26Å; H1407-R1411 WeakPolarHBondContact O-CG 3.46Å; H1407-R1411 PolarHBondContact O-NE 3.49Å; G1408-R1411 WeakPolarHBondContact O-CA 3.49Å; G1408-R1411 WeakPolarHBondContact O-CB 3.46Å; G1408-R1411 PolarHBondContact O-N 3.49Å; L1409-R1411 PolarHBondContact O-N 3.17Å
1412L78.2Confident85Confident26 Ų2629.9 Ų29.914%0.13614%0.144CC..SBendtrans-67.4143.1167.4-75.4168.1000108.9M1402 G1408 L1409 T1414M1402-L1412 HydrophobicContact CE-CD1 4.24Å; M1402-L1412 HydrophobicContact CE-CD2 4.44Å; M1402-L1412 HydrophobicContact SD-CD1 3.89Å; M1402-L1412 HydrophobicContact SD-CD2 3.52Å; M1402-L1412 VanDerWaalsContact SD-CD2 3.52Å; M1402-L1412 HydrophobicContact SD-CG 3.61Å; G1408-L1412 PolarHBondContact O-N 2.96Å; L1409-L1412 HydrophobicContact CD2-CD1 3.9Å; L1409-L1412 WeakPolarHBondContact O-CB 3.36Å; L1409-L1412 PolarHBondContact O-N 3.28Å; L1409-L1412 VanDerWaalsContact O-N 3.17Å; L1412-T1414 HydrophobicContact CB-CG2 4.12Å; L1412-T1414 PolarHBondContact O-N 2.83Å
1413D73.8Confident84.5Confident70 Ų7032 Ų3237%0.37415%0.154SC..  trans-79.642178.2-38.8-67000110.7R136 I873 K1398R136-D1413 IonicContact NH2-OD1 2.81Å; I873-D1413 HydrophobicContact CD1-CB 4.14Å; I873-D1413 WeakPolarHBondContact CG2-O 3.3Å; K1398-D1413 WeakPolarHBondContact CE-OD2 3.45Å; K1398-D1413 IonicContact NZ-OD2 2.66Å; K1398-D1413 PolarHBondContact NZ-OD2 3.05Å
1414T80Confident84.1Confident22 Ų2234.3 Ų34.314%0.13516%0.162CC..  trans-89.6158.4179.346.20000111.9Q872 L1412 R1419Q872-T1414 HydrophobicContact CG-CG2 4.11Å; L1412-T1414 HydrophobicContact CB-CG2 4.12Å; L1412-T1414 PolarHBondContact O-N 2.83Å; T1414-R1419 PolarHBondContact O-NE 2.94Å; T1414-R1419 WeakPolarHBondContact OG1-CG 3.23Å
1415G82.9Confident83.9Confident8 Ų834.9 Ų34.98%0.08217%0.165CC..  trans-53.1143.7-178.800000112.5L1417 A1418 R1419 D1439 E1446G1415-L1417 PolarHBondContact O-N 3.34Å; G1415-A1418 PolarHBondContact O-N 3.04Å; G1415-A1418 VanDerWaalsContact O-N 3.12Å; G1415-R1419 PolarHBondContact O-N 2.69Å; G1415-D1439 VanDerWaalsContact C-OD2 3.23Å; G1415-D1439 VanDerWaalsContact CA-OD2 3.26Å; G1415-D1439 WeakPolarHBondContact CA-OD2 3.38Å; G1415-E1446 WeakPolarHBondContact CA-OE1 3.35Å
1416A89.3Confident83.9Confident1 Ų134.1 Ų34.11%0.00816%0.161CC..Hα-helixtrans-60.7-31.2-178.800000112.1F19 C1420 A1432 D1439F19-A1416 HydrophobicContact CD2-CB 4.14Å; F19-A1416 HydrophobicContact CE2-CB 3.64Å; F19-A1416 HydrophobicContact CZ-CB 4.1Å; A1416-C1420 VanDerWaalsContact O-CB 3.28Å; A1416-C1420 WeakPolarHBondContact O-CB 3.27Å; A1416-C1420 PolarHBondContact O-N 3.35Å; A1416-A1432 HydrophobicContact CB-CB 3.53Å; A1416-D1439 PolarHBondContact N-OD2 3.21Å
1417L90.5Very high84.2Confident16 Ų1634.1 Ų34.18%0.08417%0.167CC..Hα-helixtrans-71-39.7173.7-72.4-170.1000112.7L17 F19 G1415 C1420 S1421 L1429 D1439 M1441 E1446 M1449L17-L1417 HydrophobicContact CD1-CD1 4.02Å; F19-L1417 HydrophobicContact CZ-CD2 3.88Å; F19-L1417 HydrophobicContact CZ-CG 4.01Å; G1415-L1417 PolarHBondContact O-N 3.34Å; L1417-C1420 PolarHBondContact O-N 3.14Å; L1417-C1420 PolarHBondContact O-SG 3.04Å; L1417-S1421 PolarHBondContact O-N 3.23Å; L1417-L1429 HydrophobicContact CD2-CD2 4.12Å; L1417-D1439 PolarHBondContact N-OD2 3.49Å; L1417-M1441 HydrophobicContact CD1-CE 4.22Å; L1417-E1446 HydrophobicContact CB-CB 4.5Å; L1417-E1446 HydrophobicContact CB-CG 3.98Å; L1417-M1449 HydrophobicContact CB-SD 4.47Å; L1417-M1449 HydrophobicContact CD2-SD 4.25Å; L1417-M1449 VanDerWaalsContact O-CE 3.23Å; L1417-M1449 WeakPolarHBondContact O-CE 3.22Å
1418A87.9Confident84.4Confident11 Ų1129.5 Ų29.59%0.09115%0.146CC..Hα-helixtrans-60.3-48.3172.900000110.9G1415 S1421 E1446G1415-A1418 PolarHBondContact O-N 3.04Å; G1415-A1418 VanDerWaalsContact O-N 3.12Å; A1418-S1421 WeakPolarHBondContact O-CB 3.49Å; A1418-S1421 PolarHBondContact O-N 3.19Å; A1418-S1421 PolarHBondContact O-OG 3.23Å; A1418-E1446 HydrophobicContact CB-CG 4.06Å; A1418-E1446 VanDerWaalsContact CB-OE1 3.24Å; A1418-E1446 WeakPolarHBondContact CB-OE1 3.19Å
1419R87.4Confident84.9Confident19 Ų1931 Ų317%0.07215%0.153CC..Hα-helixtrans-62.8-43.7178-65.3-173.1-68.9133.71.3112T1414 G1415 S1421 F1422 I1428 E1437T1414-R1419 PolarHBondContact O-NE 2.94Å; T1414-R1419 WeakPolarHBondContact OG1-CG 3.23Å; G1415-R1419 PolarHBondContact O-N 2.69Å; R1419-S1421 PolarHBondContact O-N 2.8Å; R1419-S1421 VanDerWaalsContact O-N 3.12Å; R1419-F1422 PolarHBondContact O-N 2.78Å; R1419-F1422 VanDerWaalsContact O-N 3.1Å; R1419-I1428 HydrophobicContact CB-CD1 4.11Å; R1419-I1428 HydrophobicContact CB-CG2 3.98Å; R1419-I1428 WeakPolarHBondContact O-CD1 3.43Å; R1419-E1437 IonicContact CZ-OE2 3.45Å; R1419-E1437 IonicContact NH2-OE1 2.7Å; R1419-E1437 PolarHBondContact NH2-OE1 3.23Å; R1419-E1437 IonicContact NH2-OE2 2.69Å; R1419-E1437 PolarHBondContact NH2-OE2 3.27Å
1420C88.6Confident85.4Confident0 Ų032.8 Ų32.80%016%0.161CC..Hα-helixtrans-67.5-14.5-178.586.30000114A1416 L1417 F1422 T1425 I1428 L1429A1416-C1420 VanDerWaalsContact O-CB 3.28Å; A1416-C1420 WeakPolarHBondContact O-CB 3.27Å; A1416-C1420 PolarHBondContact O-N 3.35Å; L1417-C1420 PolarHBondContact O-N 3.14Å; L1417-C1420 PolarHBondContact O-SG 3.04Å; C1420-F1422 PolarHBondContact O-N 3.36Å; C1420-T1425 HydrophobicContact CB-CG2 4.23Å; C1420-T1425 WeakPolarHBondContact O-CA 3.31Å; C1420-T1425 WeakPolarHBondContact O-CB 3.22Å; C1420-T1425 WeakPolarHBondContact O-CG2 3.37Å; C1420-T1425 PolarHBondContact O-OG1 3.41Å; C1420-I1428 HydrophobicContact CB-CB 4.3Å; C1420-I1428 HydrophobicContact CB-CG2 4.13Å; C1420-L1429 HydrophobicContact CB-CD1 4.4Å; C1420-L1429 HydrophobicContact CB-CD2 4.13Å; C1420-L1429 HydrophobicContact CB-CG 3.92Å
1421S85.9Confident85.8Confident6 Ų634.4 Ų34.44%0.04217%0.169CC..THydrogen-bonded Turntrans-66.7-13.3172.781.50000113.6R852 K856 L1417 A1418 R1419R852-S1421 PolarHBondContact NH2-O 3.48Å; K856-S1421 WeakPolarHBondContact CD-OG 3.09Å; K856-S1421 WeakPolarHBondContact CE-OG 3.41Å; K856-S1421 PolarHBondContact NZ-OG 3.16Å; L1417-S1421 PolarHBondContact O-N 3.23Å; A1418-S1421 WeakPolarHBondContact O-CB 3.49Å; A1418-S1421 PolarHBondContact O-N 3.19Å; A1418-S1421 PolarHBondContact O-OG 3.23Å; R1419-S1421 PolarHBondContact O-N 2.8Å; R1419-S1421 VanDerWaalsContact O-N 3.12Å
1422F83.5Confident86.5Confident4 Ų426.4 Ų26.42%0.01814%0.139CC..SBendtrans-124.9118.7-175.8-168.9-102.9000113.2R853 K856 R1406 L1409 R1419 C1420 E1424R853-F1422 HydrophobicContact CG-CE2 4.13Å; R853-F1422 HydrophobicContact CG-CZ 3.7Å; K856-F1422 HydrophobicContact CB-CD2 4.05Å; K856-F1422 HydrophobicContact CB-CG 4.46Å; K856-F1422 HydrophobicContact CD-CB 4.45Å; K856-F1422 HydrophobicContact CG-CD2 3.91Å; R1406-F1422 HydrophobicContact CB-CD1 4.24Å; R1406-F1422 HydrophobicContact CB-CE1 3.92Å; L1409-F1422 HydrophobicContact CD1-CD1 3.89Å; L1409-F1422 HydrophobicContact CD1-CE1 4.02Å; L1409-F1422 HydrophobicContact CD1-CG 4.39Å; R1419-F1422 PolarHBondContact O-N 2.78Å; R1419-F1422 VanDerWaalsContact O-N 3.1Å; C1420-F1422 PolarHBondContact O-N 3.36Å; F1422-E1424 PolarHBondContact O-N 3.01Å
1423E79.1Confident87.2Confident52 Ų5225.8 Ų25.824%0.24314%0.137CC..SBendtrans53.4-71175.8-69.8-176.7-134.800118Y849 R1406 T1425Y849-E1423 PolarHBondContact OH-OE1 3.17Å; R1406-E1423 HydrophobicContact CB-CB 4.36Å; R1406-E1423 WeakPolarHBondContact CD-OE2 3.47Å; R1406-E1423 WeakPolarHBondContact CG-OE2 3.47Å; R1406-E1423 IonicContact CZ-OE2 2.8Å; R1406-E1423 IonicContact NE-OE2 3.81Å; R1406-E1423 IonicContact NH1-OE2 3.75Å; R1406-E1423 PolarHBondContact NH1-OE2 3.02Å; E1423-T1425 VanDerWaalsContact C-N 3.29Å; E1423-T1425 PolarHBondContact O-N 3.49Å
1424E83.5Confident88.1Confident68 Ų6822.8 Ų22.832%0.31812%0.121SC..  trans-92.238.9-165.1-64.2-175.4157.100113.2R1406 N1410 F1422 V1426 D1427 I1428R1406-E1424 WeakPolarHBondContact CD-OE1 3.35Å; R1406-E1424 IonicContact NE-OE1 2.91Å; N1410-E1424 PolarHBondContact ND2-OE2 3.43Å; F1422-E1424 PolarHBondContact O-N 3.01Å; E1424-V1426 PolarHBondContact O-N 3.33Å; E1424-D1427 PolarHBondContact O-N 3.25Å; E1424-I1428 HydrophobicContact CB-CD1 3.97Å; E1424-I1428 HydrophobicContact CB-CG1 4.24Å; E1424-I1428 WeakPolarHBondContact O-CD1 3.29Å; E1424-I1428 WeakPolarHBondContact O-CG1 3.44Å; E1424-I1428 PolarHBondContact O-N 3.48Å; E1424-I1428 VanDerWaalsContact O-N 3.09Å
1425T88.1Confident88.6Confident12 Ų1221.8 Ų21.87%0.07412%0.115CC..Hα-helixtrans-42-56.8-169.4-55.90000115.3I341 C1420 E1423 L1429I341-T1425 HydrophobicContact CB-CG2 4.21Å; I341-T1425 HydrophobicContact CD1-CG2 3.59Å; I341-T1425 HydrophobicContact CG1-CG2 3.89Å; C1420-T1425 HydrophobicContact CB-CG2 4.23Å; C1420-T1425 WeakPolarHBondContact O-CA 3.31Å; C1420-T1425 WeakPolarHBondContact O-CB 3.22Å; C1420-T1425 WeakPolarHBondContact O-CG2 3.37Å; C1420-T1425 PolarHBondContact O-OG1 3.41Å; E1423-T1425 VanDerWaalsContact C-N 3.29Å; E1423-T1425 PolarHBondContact O-N 3.49Å; T1425-L1429 HydrophobicContact CG2-CD1 4.32Å; T1425-L1429 WeakPolarHBondContact O-CG 3.27Å; T1425-L1429 PolarHBondContact O-N 2.98Å
1426V91Very high89Confident12 Ų1222 Ų227%0.07312%0.115CC..Hα-helixtrans-78.7-33.7-171.2179.50000111.7K331 L334 E1424 I1428 L1429 M1430K331-V1426 HydrophobicContact CG-CB 4.12Å; K331-V1426 HydrophobicContact CG-CG1 4.07Å; K331-V1426 HydrophobicContact CG-CG2 4.03Å; L334-V1426 HydrophobicContact CB-CG2 3.71Å; L334-V1426 HydrophobicContact CD1-CG2 4.08Å; E1424-V1426 PolarHBondContact O-N 3.33Å; V1426-I1428 VanDerWaalsContact C-N 3.33Å; V1426-L1429 PolarHBondContact O-N 2.91Å; V1426-M1430 HydrophobicContact CG1-CE 4.25Å; V1426-M1430 HydrophobicContact CG1-CG 4.22Å; V1426-M1430 WeakPolarHBondContact O-CB 3.45Å; V1426-M1430 WeakPolarHBondContact O-CG 3.47Å; V1426-M1430 PolarHBondContact O-N 3.24Å
1427D89.7Confident89.1Confident91 Ų9124 Ų2449%0.48712%0.124SC..Hα-helixtrans-71.1-33.3-178.8-59.4-50.9000110.7K331 E1424 E1431K331-D1427 IonicContact NZ-OD1 3.79Å; E1424-D1427 PolarHBondContact O-N 3.25Å; D1427-E1431 WeakPolarHBondContact O-CB 3.43Å; D1427-E1431 PolarHBondContact O-N 3.44Å
1428I90.8Very high89.1Confident6 Ų626.7 Ų26.73%0.03114%0.143CC..Hα-helixtrans-65-49.6171.6-66.6162.1000111.3R1419 C1420 E1424 V1426 M1430 E1431 A1432R1419-I1428 HydrophobicContact CB-CD1 4.11Å; R1419-I1428 HydrophobicContact CB-CG2 3.98Å; R1419-I1428 WeakPolarHBondContact O-CD1 3.43Å; C1420-I1428 HydrophobicContact CB-CB 4.3Å; C1420-I1428 HydrophobicContact CB-CG2 4.13Å; E1424-I1428 HydrophobicContact CB-CD1 3.97Å; E1424-I1428 HydrophobicContact CB-CG1 4.24Å; E1424-I1428 WeakPolarHBondContact O-CD1 3.29Å; E1424-I1428 WeakPolarHBondContact O-CG1 3.44Å; E1424-I1428 PolarHBondContact O-N 3.48Å; E1424-I1428 VanDerWaalsContact O-N 3.09Å; V1426-I1428 VanDerWaalsContact C-N 3.33Å; I1428-M1430 VanDerWaalsContact C-N 3.3Å; I1428-M1430 PolarHBondContact O-N 3.03Å; I1428-E1431 PolarHBondContact O-N 3Å; I1428-E1431 VanDerWaalsContact O-N 3.13Å; I1428-A1432 WeakPolarHBondContact O-CB 3.35Å; I1428-A1432 PolarHBondContact O-N 3.12Å
1429L92.8Very high89.1Confident36 Ų3626.2 Ų26.219%0.18814%0.139CC..Hα-helixtrans-61.7-39179.6-68.7169.4000112F19 I341 L1417 C1420 T1425 V1426 A1433F19-L1429 HydrophobicContact CE1-CD2 3.71Å; F19-L1429 HydrophobicContact CZ-CD2 3.97Å; I341-L1429 HydrophobicContact CD1-CD1 4.17Å; L1417-L1429 HydrophobicContact CD2-CD2 4.12Å; C1420-L1429 HydrophobicContact CB-CD1 4.4Å; C1420-L1429 HydrophobicContact CB-CD2 4.13Å; C1420-L1429 HydrophobicContact CB-CG 3.92Å; T1425-L1429 HydrophobicContact CG2-CD1 4.32Å; T1425-L1429 WeakPolarHBondContact O-CG 3.27Å; T1425-L1429 PolarHBondContact O-N 2.98Å; V1426-L1429 PolarHBondContact O-N 2.91Å; L1429-A1433 WeakPolarHBondContact O-CB 3.35Å; L1429-A1433 PolarHBondContact O-N 3.2Å
1430M91.8Very high89.1Confident49 Ų4928.5 Ų28.524%0.24116%0.157CC..Hα-helixtrans-65.9-38.6174.5-68.4-75.8170.800111.8F96 V1426 I1428 I1434F96-M1430 HydrophobicContact CD1-SD 4.28Å; F96-M1430 HydrophobicContact CE1-CB 4.33Å; F96-M1430 HydrophobicContact CE1-SD 3.53Å; F96-M1430 VanDerWaalsContact CE1-SD 3.53Å; F96-M1430 HydrophobicContact CZ-SD 4Å; V1426-M1430 HydrophobicContact CG1-CE 4.25Å; V1426-M1430 HydrophobicContact CG1-CG 4.22Å; V1426-M1430 WeakPolarHBondContact O-CB 3.45Å; V1426-M1430 WeakPolarHBondContact O-CG 3.47Å; V1426-M1430 PolarHBondContact O-N 3.24Å; I1428-M1430 VanDerWaalsContact C-N 3.3Å; I1428-M1430 PolarHBondContact O-N 3.03Å; M1430-I1434 WeakPolarHBondContact O-CD1 3.48Å; M1430-I1434 WeakPolarHBondContact O-CG1 3.38Å; M1430-I1434 PolarHBondContact O-N 3.15Å
1431E89.9Confident89.1Confident46 Ų4629 Ų2922%0.21516%0.159CC..Hα-helixtrans-72.7-34.7177.5-170.6162.8-149.300113.1K99 R135 D1427 I1428 I1434 H1435K99-E1431 IonicContact NZ-OE1 3.02Å; R135-E1431 IonicContact CZ-OE1 3.81Å; R135-E1431 IonicContact CZ-OE2 3.95Å; R135-E1431 IonicContact NE-OE1 3.69Å; R135-E1431 PolarHBondContact NE-OE1 3.38Å; R135-E1431 IonicContact NE-OE2 3.53Å; R135-E1431 PolarHBondContact NE-OE2 2.91Å; R135-E1431 VanDerWaalsContact NE-OE2 3.07Å; R135-E1431 IonicContact NH2-OE1 2.7Å; R135-E1431 IonicContact NH2-OE2 2.67Å; R135-E1431 PolarHBondContact NH2-OE2 3.04Å; D1427-E1431 WeakPolarHBondContact O-CB 3.43Å; D1427-E1431 PolarHBondContact O-N 3.44Å; I1428-E1431 PolarHBondContact O-N 3Å; I1428-E1431 VanDerWaalsContact O-N 3.13Å; E1431-I1434 PolarHBondContact O-N 3.26Å; E1431-H1435 VanDerWaalsContact CG-CE1 3.45Å; E1431-H1435 WeakPolarHBondContact CG-CE1 3.48Å; E1431-H1435 PolarHBondContact O-N 3.04Å; E1431-H1435 PolarHBondContact O-ND1 2.9Å; E1431-H1435 IonicContact OE1-CE1 2.61Å
1432A91.3Very high89.1Confident0 Ų030.6 Ų30.60%017%0.173CC..Hα-helixtrans-65.7-42.3174.300000112F19 A1416 I1428 I1434 H1435 S1436 E1437F19-A1432 HydrophobicContact CB-CB 4.29Å; F19-A1432 HydrophobicContact CD1-CB 4.44Å; F19-A1432 HydrophobicContact CD2-CB 4.2Å; F19-A1432 HydrophobicContact CG-CB 4.06Å; A1416-A1432 HydrophobicContact CB-CB 3.53Å; I1428-A1432 WeakPolarHBondContact O-CB 3.35Å; I1428-A1432 PolarHBondContact O-N 3.12Å; A1432-I1434 VanDerWaalsContact C-N 3.35Å; A1432-I1434 PolarHBondContact O-N 3.39Å; A1432-H1435 PolarHBondContact O-N 3.36Å; A1432-S1436 PolarHBondContact O-N 2.86Å; A1432-S1436 VanDerWaalsContact O-N 3.14Å; A1432-E1437 HydrophobicContact CB-CB 4.09Å; A1432-E1437 HydrophobicContact CB-CG 4.23Å; A1432-E1437 PolarHBondContact O-N 2.99Å
1433A93.4Very high89.2Confident12 Ų1230.5 Ų30.510%0.09917%0.173CC..Hα-helixtrans-60.3-40.8173.500000112.8G20 I21 A234 L1429G20-A1433 WeakPolarHBondContact CA-O 3.17Å; G20-A1433 WeakPolarHBondContact O-CB 3.07Å; I21-A1433 HydrophobicContact CG1-CB 4.43Å; A234-A1433 VanDerWaalsContact CB-O 3.31Å; A234-A1433 WeakPolarHBondContact CB-O 3.44Å; L1429-A1433 WeakPolarHBondContact O-CB 3.35Å; L1429-A1433 PolarHBondContact O-N 3.2Å
1434I92.7Very high89.8Confident7 Ų729 Ų294%0.03617%0.168CC..Hα-helixtrans-65.7-38.5-179.3-73.3166.1000113.3I21 F96 K99 F229 A234 M1430 E1431 A1432I21-I1434 HydrophobicContact CD1-CG1 4.31Å; F96-I1434 HydrophobicContact CD1-CD1 3.77Å; F96-I1434 HydrophobicContact CD1-CG1 3.85Å; F96-I1434 HydrophobicContact CE1-CD1 4.24Å; F96-I1434 HydrophobicContact CE1-CG1 3.97Å; K99-I1434 HydrophobicContact CB-CD1 4.02Å; K99-I1434 HydrophobicContact CD-CG2 3.94Å; K99-I1434 HydrophobicContact CG-CD1 4.22Å; K99-I1434 HydrophobicContact CG-CG2 3.76Å; F229-I1434 HydrophobicContact CD1-CG2 4.45Å; F229-I1434 WeakPolarHBondContact CD1-O 3.45Å; F229-I1434 HydrophobicContact CE1-CG2 3.74Å; F229-I1434 HydrophobicContact CZ-CG2 4.5Å; A234-I1434 VanDerWaalsContact CB-O 3.27Å; A234-I1434 WeakPolarHBondContact CB-O 3.36Å; M1430-I1434 WeakPolarHBondContact O-CD1 3.48Å; M1430-I1434 WeakPolarHBondContact O-CG1 3.38Å; M1430-I1434 PolarHBondContact O-N 3.15Å; E1431-I1434 PolarHBondContact O-N 3.26Å; A1432-I1434 VanDerWaalsContact C-N 3.35Å; A1432-I1434 PolarHBondContact O-N 3.39Å
1435H90.6Very high90.1Very high1 Ų125.9 Ų25.91%0.00515%0.153CC..THydrogen-bonded Turntrans-100.87.7-176.4-52.5116.9000113.5K99 N134 E1431 A1432 E1437K99-H1435 PolarHBondContact NZ-CE1 2.91Å; K99-H1435 PolarHBondContact NZ-NE2 2.93Å; N134-H1435 HydrophobicContact CB-CB 4.08Å; N134-H1435 PolarHBondContact ND2-O 3.03Å; E1431-H1435 VanDerWaalsContact CG-CE1 3.45Å; E1431-H1435 WeakPolarHBondContact CG-CE1 3.48Å; E1431-H1435 PolarHBondContact O-N 3.04Å; E1431-H1435 PolarHBondContact O-ND1 2.9Å; E1431-H1435 IonicContact OE1-CE1 2.61Å; A1432-H1435 PolarHBondContact O-N 3.36Å; H1435-E1437 VanDerWaalsContact C-N 3.34Å; H1435-E1437 PolarHBondContact O-N 3.45Å
1436S92.2Very high90.3Very high12 Ų1225.3 Ų25.38%0.08415%0.15CC..THydrogen-bonded Turntrans55.345.6-178.2-46.20000112.9Q18 F19 Y233 A234 A1432 C1438Q18-S1436 VanDerWaalsContact NE2-C 3.31Å; Q18-S1436 PolarHBondContact NE2-O 3.45Å; F19-S1436 WeakPolarHBondContact O-CA 3.43Å; Y233-S1436 WeakPolarHBondContact CB-OG 3.29Å; A234-S1436 WeakPolarHBondContact CB-OG 3.35Å; A1432-S1436 PolarHBondContact O-N 2.86Å; A1432-S1436 VanDerWaalsContact O-N 3.14Å; S1436-C1438 PolarHBondContact O-N 2.82Å
1437E89.8Confident90.3Very high43 Ų4325 Ų2520%0.20115%0.147CC..  trans-61.9137.7177.7-67-174-159.200111Q18 F19 R1419 A1432 H1435Q18-E1437 PolarHBondContact NE2-O 2.95Å; F19-E1437 WeakPolarHBondContact CB-O 3.5Å; F19-E1437 WeakPolarHBondContact CD2-O 3.08Å; F19-E1437 PolarHBondContact N-O 3.17Å; R1419-E1437 IonicContact CZ-OE2 3.45Å; R1419-E1437 IonicContact NH2-OE1 2.7Å; R1419-E1437 PolarHBondContact NH2-OE1 3.23Å; R1419-E1437 IonicContact NH2-OE2 2.69Å; R1419-E1437 PolarHBondContact NH2-OE2 3.27Å; A1432-E1437 HydrophobicContact CB-CB 4.09Å; A1432-E1437 HydrophobicContact CB-CG 4.23Å; A1432-E1437 PolarHBondContact O-N 2.99Å; H1435-E1437 VanDerWaalsContact C-N 3.34Å; H1435-E1437 PolarHBondContact O-N 3.45Å
1438C90.1Very high90.4Very high73 Ų7324.5 Ų24.549%0.49314%0.144SC..EExtended strand (participates in β ladder)trans-106.2126.7172.7-174.10000109.3S1436S1436-C1438 PolarHBondContact O-N 2.82Å
1439D90Very high90.4Very high1 Ų125.1 Ų25.11%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-101.2117.5-179.9-163-30.7000109.4A16 L17 F19 G1415 A1416 L1417 M1441A16-D1439 CarbonylContact C-O 3.55Å; A16-D1439 WeakPolarHBondContact CA-O 3.03Å; L17-D1439 HydrophobicContact CB-CB 4.49Å; L17-D1439 PolarHBondContact N-O 2.73Å; L17-D1439 PolarHBondContact O-N 3.45Å; F19-D1439 HydrophobicContact CE2-CB 4.1Å; G1415-D1439 VanDerWaalsContact C-OD2 3.23Å; G1415-D1439 VanDerWaalsContact CA-OD2 3.26Å; G1415-D1439 WeakPolarHBondContact CA-OD2 3.38Å; A1416-D1439 PolarHBondContact N-OD2 3.21Å; L1417-D1439 PolarHBondContact N-OD2 3.49Å; D1439-M1441 VanDerWaalsContact C-N 3.25Å; D1439-M1441 HydrophobicContact CB-CE 3.54Å; D1439-M1441 PolarHBondContact O-N 3.21Å; D1439-M1441 WeakPolarHBondContact OD1-CE 3.38Å
1440P87Confident90.3Very high68 Ų6826.8 Ų26.844%0.44216%0.156SC..  trans-81.67.5-169.734-37.8000114.6A1442P1440-A1442 HydrophobicContact CG-CB 4.34Å; P1440-A1442 PolarHBondContact O-N 3.16Å
1441M87.9Confident90.1Very high9 Ų927.8 Ų27.84%0.04418%0.179CC..SBendtrans53.936.8179.6-54.3-65.590.700113.4V14 L17 L1417 D1439 E1446 L1450V14-M1441 WeakPolarHBondContact O-CG 3.46Å; L17-M1441 HydrophobicContact CB-CE 3.9Å; L17-M1441 HydrophobicContact CB-SD 4.22Å; L1417-M1441 HydrophobicContact CD1-CE 4.22Å; D1439-M1441 VanDerWaalsContact C-N 3.25Å; D1439-M1441 HydrophobicContact CB-CE 3.54Å; D1439-M1441 PolarHBondContact O-N 3.21Å; D1439-M1441 WeakPolarHBondContact OD1-CE 3.38Å; M1441-E1446 HydrophobicContact CE-CB 4.01Å; M1441-E1446 HydrophobicContact CE-CG 4.4Å; M1441-E1446 HydrophobicContact SD-CB 4.37Å; M1441-L1450 HydrophobicContact CG-CD1 4.5Å; M1441-L1450 HydrophobicContact SD-CD1 3.45Å; M1441-L1450 WeakPolarHBondContact SD-CD1 3.3Å; M1441-L1450 HydrophobicContact SD-CG 4.46Å
1442A86.1Confident90.1Very high41 Ų4127.7 Ų27.734%0.33918%0.178SC..  trans-102-11-177.900000113Q872 P1440 E1446Q872-A1442 HydrophobicContact CB-CB 4.32Å; Q872-A1442 WeakPolarHBondContact O-CB 3.17Å; P1440-A1442 HydrophobicContact CG-CB 4.34Å; P1440-A1442 PolarHBondContact O-N 3.16Å; A1442-E1446 PolarHBondContact N-OE2 3.18Å; A1442-E1446 VanDerWaalsContact N-OE2 3.1Å
1443G86.3Confident89.9Confident2 Ų233.5 Ų33.52%0.02121%0.209CC..SBendtrans-89.8160.3177.700000113.9E1446 T1447G1443-E1446 WeakPolarHBondContact CA-OE2 3.3Å; G1443-E1446 PolarHBondContact N-OE2 3.03Å; G1443-T1447 PolarHBondContact O-N 2.97Å; G1443-T1447 PolarHBondContact O-OG1 2.89Å
1444V90.8Very high89.7Confident21 Ų2133.5 Ų33.513%0.12721%0.209CC..Hα-helixtrans-73.8-46.1-177.7-177.40000111.6E859 M1076 E1446 T1447 I1448 I1456E859-V1444 WeakPolarHBondContact O-CG2 3.44Å; M1076-V1444 HydrophobicContact CE-CG2 4.06Å; V1444-E1446 VanDerWaalsContact C-N 3.27Å; V1444-E1446 PolarHBondContact O-N 3.42Å; V1444-T1447 PolarHBondContact O-OG1 3.05Å; V1444-I1448 HydrophobicContact CG1-CD1 3.73Å; V1444-I1448 WeakPolarHBondContact O-CB 3.37Å; V1444-I1448 WeakPolarHBondContact O-CD1 3.34Å; V1444-I1448 WeakPolarHBondContact O-CG1 3.46Å; V1444-I1448 PolarHBondContact O-N 2.84Å; V1444-I1448 VanDerWaalsContact O-N 3.14Å; V1444-I1456 HydrophobicContact CG1-CD1 4.1Å; V1444-I1456 HydrophobicContact CG2-CD1 4.45Å; V1444-I1456 HydrophobicContact CG2-CG2 3.61Å
1445S90.7Very high89.5Confident2 Ų240.4 Ų40.41%0.01423%0.234CC..Hα-helixtrans-60-38.6174.7-75.50000112.9M346 K856 E859 I1448 M1449M346-S1445 WeakPolarHBondContact CE-O 3.09Å; K856-S1445 PolarHBondContact NZ-OG 3.27Å; E859-S1445 WeakPolarHBondContact OE1-CB 3.49Å; E859-S1445 PolarHBondContact OE1-OG 3.01Å; S1445-I1448 PolarHBondContact O-N 2.85Å; S1445-M1449 VanDerWaalsContact O-CG 3.3Å; S1445-M1449 WeakPolarHBondContact O-CG 3.49Å; S1445-M1449 PolarHBondContact O-N 2.69Å
1446E91.4Very high89.5Confident0 Ų042.6 Ų42.60%025%0.246CC..Hα-helixtrans-63.2-52.6-174.4-60.1159.2-164.100110.5Q872 G1415 L1417 A1418 M1441 A1442 G1443 V1444 M1449 L1450Q872-E1446 PolarHBondContact NE2-OE1 2.68Å; G1415-E1446 WeakPolarHBondContact CA-OE1 3.35Å; L1417-E1446 HydrophobicContact CB-CB 4.5Å; L1417-E1446 HydrophobicContact CB-CG 3.98Å; A1418-E1446 HydrophobicContact CB-CG 4.06Å; A1418-E1446 VanDerWaalsContact CB-OE1 3.24Å; A1418-E1446 WeakPolarHBondContact CB-OE1 3.19Å; M1441-E1446 HydrophobicContact CE-CB 4.01Å; M1441-E1446 HydrophobicContact CE-CG 4.4Å; M1441-E1446 HydrophobicContact SD-CB 4.37Å; A1442-E1446 PolarHBondContact N-OE2 3.18Å; A1442-E1446 VanDerWaalsContact N-OE2 3.1Å; G1443-E1446 WeakPolarHBondContact CA-OE2 3.3Å; G1443-E1446 PolarHBondContact N-OE2 3.03Å; V1444-E1446 VanDerWaalsContact C-N 3.27Å; V1444-E1446 PolarHBondContact O-N 3.42Å; E1446-M1449 PolarHBondContact O-N 3.27Å; E1446-L1450 PolarHBondContact O-N 3.09Å
1447T90.6Very high89.3Confident4 Ų443.4 Ų43.43%0.02526%0.256CS..Hα-helixtrans-65.2-39.1177.847.10000112.5G1443 V1444 M1449 L1450 G1451 Q1452 A1454G1443-T1447 PolarHBondContact O-N 2.97Å; G1443-T1447 PolarHBondContact O-OG1 2.89Å; V1444-T1447 PolarHBondContact O-OG1 3.05Å; T1447-M1449 PolarHBondContact O-N 3.22Å; T1447-L1450 PolarHBondContact O-N 3.42Å; T1447-G1451 PolarHBondContact O-N 2.95Å; T1447-Q1452 PolarHBondContact O-N 3.47Å; T1447-A1454 WeakPolarHBondContact OG1-CB 3.34Å
1448I91.3Very high89.4Confident82 Ų8244.4 Ų44.442%0.42127%0.265SS..Hα-helixtrans-62.6-38.9174-68.4171000111.9M346 V1444 S1445 L1450 G1451M346-I1448 HydrophobicContact CE-CB 4.12Å; M346-I1448 HydrophobicContact CE-CG2 3.8Å; V1444-I1448 HydrophobicContact CG1-CD1 3.73Å; V1444-I1448 WeakPolarHBondContact O-CB 3.37Å; V1444-I1448 WeakPolarHBondContact O-CD1 3.34Å; V1444-I1448 WeakPolarHBondContact O-CG1 3.46Å; V1444-I1448 PolarHBondContact O-N 2.84Å; V1444-I1448 VanDerWaalsContact O-N 3.14Å; S1445-I1448 PolarHBondContact O-N 2.85Å; I1448-L1450 VanDerWaalsContact C-N 3.26Å; I1448-L1450 PolarHBondContact O-N 3.1Å; I1448-G1451 PolarHBondContact O-N 2.87Å
1449M91.2Very high89.3Confident19 Ų1941.3 Ų41.39%0.09425%0.246CC..Hα-helixtrans-63.1-32.5177-71.9-161.2-153.500112.9I341 L345 M346 L1417 S1445 E1446 T1447I341-M1449 HydrophobicContact CG2-CE 3.6Å; I341-M1449 HydrophobicContact CG2-SD 3.99Å; L345-M1449 HydrophobicContact CB-CG 4.19Å; L345-M1449 HydrophobicContact CD1-CB 4.35Å; L345-M1449 HydrophobicContact CD1-CG 4.18Å; L345-M1449 HydrophobicContact CD1-SD 4.08Å; M346-M1449 HydrophobicContact CE-CE 3.92Å; M346-M1449 HydrophobicContact CE-CG 3.54Å; M346-M1449 HydrophobicContact SD-CE 4.2Å; L1417-M1449 HydrophobicContact CB-SD 4.47Å; L1417-M1449 HydrophobicContact CD2-SD 4.25Å; L1417-M1449 VanDerWaalsContact O-CE 3.23Å; L1417-M1449 WeakPolarHBondContact O-CE 3.22Å; S1445-M1449 VanDerWaalsContact O-CG 3.3Å; S1445-M1449 WeakPolarHBondContact O-CG 3.49Å; S1445-M1449 PolarHBondContact O-N 2.69Å; E1446-M1449 PolarHBondContact O-N 3.27Å; T1447-M1449 PolarHBondContact O-N 3.22Å
1450L90.6Very high89.3Confident70 Ų7042.7 Ų42.737%0.36626%0.255SS..Hα-helixtrans-89.8-5.4178.6-62.9-174.8000113.9V14 M1441 E1446 T1447 I1448 Q1452V14-L1450 HydrophobicContact CB-CD1 3.92Å; V14-L1450 HydrophobicContact CG1-CD1 4.08Å; V14-L1450 HydrophobicContact CG2-CD1 4.32Å; M1441-L1450 HydrophobicContact CG-CD1 4.5Å; M1441-L1450 HydrophobicContact SD-CD1 3.45Å; M1441-L1450 WeakPolarHBondContact SD-CD1 3.3Å; M1441-L1450 HydrophobicContact SD-CG 4.46Å; E1446-L1450 PolarHBondContact O-N 3.09Å; T1447-L1450 PolarHBondContact O-N 3.42Å; I1448-L1450 VanDerWaalsContact C-N 3.26Å; I1448-L1450 PolarHBondContact O-N 3.1Å; L1450-Q1452 HydrophobicContact CB-CG 4.18Å
1451G88.7Confident89.5Confident70 Ų7044 Ų4472%0.72225%0.254SS*.THydrogen-bonded Turntrans70.429.3-178.200000114T1447 I1448T1447-G1451 PolarHBondContact O-N 2.95Å; I1448-G1451 PolarHBondContact O-N 2.87Å
1452Q88.4Confident89.6Confident44 Ų4450.2 Ų50.221%0.20629%0.287CS..PPolyproline II helixtrans-94.6161.9178.2-68.2172.2-3.500111.7V14 T1447 L1450 A1454V14-Q1452 VanDerWaalsContact CB-NE2 3.35Å; T1447-Q1452 PolarHBondContact O-N 3.47Å; L1450-Q1452 HydrophobicContact CB-CG 4.18Å; Q1452-A1454 PolarHBondContact O-N 2.64Å
1453L88.6Confident89.7Confident123 Ų12355.5 Ų55.564%0.64431%0.309SS*.PPolyproline II helixtrans-65.3119.6167.5-173.564.9000108.8
1454A88.6Confident89.9Confident12 Ų1263.2 Ų63.210%0.09935%0.349CS..PPolyproline II helixtrans-74140.3178.400000110.2T1447 Q1452 I1456T1447-A1454 WeakPolarHBondContact OG1-CB 3.34Å; Q1452-A1454 PolarHBondContact O-N 2.64Å; A1454-I1456 HydrophobicContact CB-CD1 3.9Å; A1454-I1456 HydrophobicContact CB-CG1 3.83Å; A1454-I1456 PolarHBondContact O-N 2.69Å
1455R88Confident90Very high151 Ų15169.2 Ų69.257%0.5738%0.38SS*.SBendtrans-77.159.5-178.2-67.8-179.2172.8-172-6.3113G1459R1455-G1459 WeakPolarHBondContact CA-O 3.18Å
1456I90.7Very high90Very high48 Ų4873.4 Ų73.425%0.24640%0.402CS..SBendtrans-139.2147.6-172.462.2178.1000110.3M1076 V1444 A1454 T1458 G1459M1076-I1456 HydrophobicContact CE-CB 4.38Å; M1076-I1456 HydrophobicContact CE-CG2 3.71Å; M1076-I1456 HydrophobicContact CG-CB 4Å; M1076-I1456 HydrophobicContact CG-CG2 4.38Å; M1076-I1456 HydrophobicContact SD-CB 3.49Å; M1076-I1456 WeakPolarHBondContact SD-CB 3.33Å; M1076-I1456 HydrophobicContact SD-CG2 3.37Å; M1076-I1456 WeakPolarHBondContact SD-CG2 3.37Å; V1444-I1456 HydrophobicContact CG1-CD1 4.1Å; V1444-I1456 HydrophobicContact CG2-CD1 4.45Å; V1444-I1456 HydrophobicContact CG2-CG2 3.61Å; A1454-I1456 HydrophobicContact CB-CD1 3.9Å; A1454-I1456 HydrophobicContact CB-CG1 3.83Å; A1454-I1456 PolarHBondContact O-N 2.69Å; I1456-T1458 PolarHBondContact O-N 3.43Å; I1456-T1458 VanDerWaalsContact O-N 3.12Å; I1456-G1459 WeakPolarHBondContact O-CA 3.45Å; I1456-G1459 PolarHBondContact O-N 3.34Å
1457G88.7Confident90.1Very high29 Ų2977.4 Ų77.430%0.29943%0.43SS..G310 helixtrans49.3-118.317700000113.2G1074 G1459 C1460G1074-G1457 WeakPolarHBondContact O-CA 3.26Å; G1074-G1457 PolarHBondContact O-N 2.88Å; G1457-G1459 VanDerWaalsContact C-N 3.27Å; G1457-G1459 PolarHBondContact O-N 3.46Å; G1457-C1460 WeakPolarHBondContact O-CB 3.31Å; G1457-C1460 PolarHBondContact O-N 3.41Å
1458T90.9Very high90.2Very high64 Ų6479.9 Ų79.939%0.39345%0.45SS..G310 helixtrans-57.8-30.6175.342.40000114.3E504 L508 I1456 F1461E504-T1458 HydrophobicContact CG-CG2 4.2Å; E504-T1458 WeakPolarHBondContact OE1-CG2 3.46Å; E504-T1458 PolarHBondContact OE1-OG1 3.11Å; L508-T1458 HydrophobicContact CD1-CG2 3.91Å; I1456-T1458 PolarHBondContact O-N 3.43Å; I1456-T1458 VanDerWaalsContact O-N 3.12Å; T1458-F1461 WeakPolarHBondContact O-CE1 3.29Å
1459G89.2Confident90.2Very high8 Ų881.4 Ų81.48%0.08245%0.454CS..G310 helixtrans-90.58.7174.600000114.7R1455 I1456 G1457 F1461R1455-G1459 WeakPolarHBondContact CA-O 3.18Å; I1456-G1459 WeakPolarHBondContact O-CA 3.45Å; I1456-G1459 PolarHBondContact O-N 3.34Å; G1457-G1459 VanDerWaalsContact C-N 3.27Å; G1457-G1459 PolarHBondContact O-N 3.46Å; G1459-F1461 PolarHBondContact O-N 3.01Å
1460C89.9Confident90Very high30 Ų3083.4 Ų83.420%0.20347%0.469CS..SBendtrans-74.2-12.1178.6-168.50000113.4M862 G1457M862-C1460 HydrophobicContact CE-CB 4.21Å; M862-C1460 WeakPolarHBondContact CE-SG 3.27Å; G1457-C1460 WeakPolarHBondContact O-CB 3.31Å; G1457-C1460 PolarHBondContact O-N 3.41Å
1461F91Very high89.9Confident94 Ų9488.1 Ų88.141%0.41249%0.489SS..SBendtrans-136.4157.9-17957.4-85.2000110.5Y865 T1458 G1459 L1463Y865-F1461 WeakPolarHBondContact OH-CB 3.49Å; Y865-F1461 WeakPolarHBondContact OH-CD1 3.34Å; T1458-F1461 WeakPolarHBondContact O-CE1 3.29Å; G1459-F1461 PolarHBondContact O-N 3.01Å; F1461-L1463 HydrophobicContact CD2-CD2 4.27Å; F1461-L1463 HydrophobicContact CE2-CD2 3.9Å; F1461-L1463 HydrophobicContact CE2-CG 4.3Å
1462D90Very high89.9Confident141 Ų14190.9 Ų90.975%0.75448%0.484SS*.  trans-99.1146.5174.6-59.9-42.3000110
1463L88.7Confident89.7Confident152 Ų15292.2 Ų92.280%0.79650%0.502SS*.  trans-96.7133.1172.8-69.3175.4000110.5F1461F1461-L1463 HydrophobicContact CD2-CD2 4.27Å; F1461-L1463 HydrophobicContact CE2-CD2 3.9Å; F1461-L1463 HydrophobicContact CE2-CG 4.3Å
1464L90.7Very high89.2Confident164 Ų16494.9 Ų94.986%0.85951%0.511SS*.  trans-121.1140.4176-60.2177.4000109.6
1465L91.1Very high88.5Confident147 Ų147100 Ų10077%0.7754%0.544SS*.  trans-80.6118.9178.3-174.568.4000110.4S1467L1465-S1467 PolarHBondContact O-N 3.01Å; L1465-S1467 VanDerWaalsContact O-N 3.09Å
1466D92.7Very high88Confident90 Ų9099.2 Ų99.248%0.48155%0.549SS..  trans-75.996.7171-176-5.5000110.7A1468 K1469 C1470D1466-A1468 PolarHBondContact O-N 3.19Å; D1466-A1468 WeakPolarHBondContact OD1-CB 3.47Å; D1466-A1468 PolarHBondContact OD1-N 3.35Å; D1466-K1469 HydrophobicContact CB-CB 4.21Å; D1466-K1469 HydrophobicContact CB-CG 4.41Å; D1466-K1469 PolarHBondContact O-N 3.01Å; D1466-K1469 PolarHBondContact OD1-N 3.5Å; D1466-K1469 VanDerWaalsContact OD2-CG 3.23Å; D1466-K1469 WeakPolarHBondContact OD2-CG 3.03Å; D1466-C1470 PolarHBondContact O-N 3.47Å; D1466-C1470 VanDerWaalsContact O-N 3.15Å; D1466-C1470 PolarHBondContact O-SG 3.43Å
1467S91.8Very high86.5Confident84 Ų84102.5 Ų102.559%0.58757%0.573SS**Hα-helixtrans-60.7-23.9178.365.10000114.6L1465L1465-S1467 PolarHBondContact O-N 3.01Å; L1465-S1467 VanDerWaalsContact O-N 3.09Å
1468A92.8Very high84.8Confident55 Ų55104.6 Ų104.646%0.45558%0.578SS.*Hα-helixtrans-72.7-46.917700000110.1D1466 C1470 Q1471D1466-A1468 PolarHBondContact O-N 3.19Å; D1466-A1468 WeakPolarHBondContact OD1-CB 3.47Å; D1466-A1468 PolarHBondContact OD1-N 3.35Å; A1468-C1470 VanDerWaalsContact C-N 3.25Å; A1468-C1470 PolarHBondContact O-N 3.41Å; A1468-Q1471 PolarHBondContact O-N 2.91Å; A1468-Q1471 VanDerWaalsContact O-N 3.09Å
1469K91.6Very high82.7Confident115 Ų115105.6 Ų105.650%0.560%0.601SS.*Hα-helixtrans-63.2-29.4175.2-73.4-73.8160-140.80113.3D1466 Q1471 E1472D1466-K1469 HydrophobicContact CB-CB 4.21Å; D1466-K1469 HydrophobicContact CB-CG 4.41Å; D1466-K1469 PolarHBondContact O-N 3.01Å; D1466-K1469 PolarHBondContact OD1-N 3.5Å; D1466-K1469 VanDerWaalsContact OD2-CG 3.23Å; D1466-K1469 WeakPolarHBondContact OD2-CG 3.03Å; K1469-Q1471 VanDerWaalsContact C-N 3.28Å; K1469-Q1471 PolarHBondContact O-N 3.47Å; K1469-E1472 WeakPolarHBondContact CD-OE2 3.4Å; K1469-E1472 IonicContact NZ-OE1 3.92Å; K1469-E1472 PolarHBondContact NZ-OE1 3.33Å; K1469-E1472 IonicContact NZ-OE2 2.72Å; K1469-E1472 PolarHBondContact NZ-OE2 3.27Å; K1469-E1472 PolarHBondContact O-N 3.05Å
1470C87.3Confident80.3Confident61 Ų61108.1 Ų108.141%0.41263%0.626SS.*Hα-helixtrans-64.9-26.9173.6-65.70000114.2D1466 A1468 E1472 A1473D1466-C1470 PolarHBondContact O-N 3.47Å; D1466-C1470 VanDerWaalsContact O-N 3.15Å; D1466-C1470 PolarHBondContact O-SG 3.43Å; A1468-C1470 VanDerWaalsContact C-N 3.25Å; A1468-C1470 PolarHBondContact O-N 3.41Å; C1470-E1472 VanDerWaalsContact C-N 3.33Å; C1470-A1473 PolarHBondContact O-N 2.89Å
1471Q88.5Confident78.1Confident168 Ų168112.5 Ų112.579%0.78565%0.652SS**Hα-helixtrans-76.6-22.4178.7-65.5177.115.100112.7A1468 K1469 A1473A1468-Q1471 PolarHBondContact O-N 2.91Å; A1468-Q1471 VanDerWaalsContact O-N 3.09Å; K1469-Q1471 VanDerWaalsContact C-N 3.28Å; K1469-Q1471 PolarHBondContact O-N 3.47Å; Q1471-A1473 VanDerWaalsContact C-N 3.28Å
1472E89.7Confident75.7Confident129 Ų129116.7 Ų116.760%0.60368%0.678SS**THydrogen-bonded Turntrans-75.8-17.4174.8-62.6172-162.200112.4K1469 C1470K1469-E1472 WeakPolarHBondContact CD-OE2 3.4Å; K1469-E1472 IonicContact NZ-OE1 3.92Å; K1469-E1472 PolarHBondContact NZ-OE1 3.33Å; K1469-E1472 IonicContact NZ-OE2 2.72Å; K1469-E1472 PolarHBondContact NZ-OE2 3.27Å; K1469-E1472 PolarHBondContact O-N 3.05Å; C1470-E1472 VanDerWaalsContact C-N 3.33Å
1473A82.6Confident73.2Confident72 Ų72113.2 Ų113.260%0.59568%0.675SS**  trans-82.2126.3-174.700000112.5C1470 Q1471C1470-A1473 PolarHBondContact O-N 2.89Å; Q1471-A1473 VanDerWaalsContact C-N 3.28Å
1474Q78.6Confident70.5Confident179 Ų179114.9 Ų114.984%0.83668%0.681SS**  trans-107.8132.4172.6-64.3-175.1-3.300110.7
1475P75.2Confident67.8Low120 Ų120110.7 Ų110.778%0.77968%0.677SS**  trans-69133.1171.429.4-33.1000109.6P1477P1475-P1477 VanDerWaalsContact O-CD 3.26Å; P1475-P1477 WeakPolarHBondContact O-CD 2.97Å
1476I77.3Confident64.9Low134 Ų134111.8 Ų111.869%0.68768%0.683SS**  trans-66.7118176.7-58.3173.4000108.5L1478I1476-L1478 PolarHBondContact O-N 3.15Å
1477P57.6Low62.1Low116 Ų116116.9 Ų116.975%0.75370%0.701SS**  trans-76.495.4179.530.2-32.8000110.1P1475 G1479P1475-P1477 VanDerWaalsContact O-CD 3.26Å; P1475-P1477 WeakPolarHBondContact O-CD 2.97Å; P1477-G1479 PolarHBondContact O-N 3.13Å
1478L54.3Low59.3Low74 Ų74121 Ų12139%0.38772%0.716SS.*G310 helixtrans-64.4-3.4-179.8-95.6101.7000115.3F388 I1476 G1480F388-L1478 HydrophobicContact CE1-CD1 4Å; F388-L1478 HydrophobicContact CZ-CD1 4.3Å; I1476-L1478 PolarHBondContact O-N 3.15Å; L1478-G1480 PolarHBondContact O-N 2.98Å
1479G45.3Very low56.4Low85 Ų85122.5 Ų122.588%0.87673%0.729SS**G310 helixtrans-65.8-1.4-178.300000116.5P1477P1477-G1479 PolarHBondContact O-N 3.13Å
1480G40Very low53.8Low60 Ų60123.8 Ų123.862%0.61975%0.749SS**G310 helixtrans-100.9-18-177.100000116.7L1478L1478-G1480 PolarHBondContact O-N 2.98Å
1481V43Very low51.2Low122 Ų122124.3 Ų124.374%0.73977%0.765SS**G310 helixtrans-84.3-17-165-177.20000113.7G1483V1481-G1483 PolarHBondContact O-N 3.47Å
1482L40.1Very low48.6Very low183 Ų183125 Ų12596%0.95877%0.766SS**G310 helixtrans-80.35.8179-74.3164.7000114.4
1483G38Very low45.8Very low67 Ų67126.3 Ų126.369%0.69177%0.772SS**G310 helixtrans-109.7-14-168.700000118.1V1481V1481-G1483 PolarHBondContact O-N 3.47Å
1484M32.9Very low43.4Very low188 Ų188126.4 Ų126.493%0.92678%0.78SS**SBendtrans-140114-176.1-68.7-175.875.500111.8
1485G32.6Very low41.2Very low76 Ų76126 Ų12678%0.78478%0.783SS**  trans164.5-26.8176.300000114.8F1487G1485-F1487 VanDerWaalsContact C-N 3.28Å; G1485-F1487 PolarHBondContact O-N 2.8Å
1486L31Very low39.1Very low169 Ų169124.6 Ų124.689%0.88578%0.781SS**  trans-81.470.5174.2-91.7158.3000111.9
1487F33.6Very low36.8Very low197 Ų197122.3 Ų122.386%0.86478%0.782SS**  trans-138.265.6164.8-94.2-77000110.9G1485G1485-F1487 VanDerWaalsContact C-N 3.28Å; G1485-F1487 PolarHBondContact O-N 2.8Å
1488N32.6Very low35.6Very low170 Ų170124.8 Ų124.891%0.90979%0.788SS**SBendtrans-166.168.8149.1-111.8-13.3000112.1
1489A33.8Very low34.6Very low87 Ų87125.6 Ų125.672%0.71981%0.806SS**  trans-159.6123.9163.200000110
1490P35.8Very low34Very low142 Ų142127.1 Ų127.192%0.92280%0.803SS**  trans-92114.8167.732.1-27.2000110.4
1491G33.6Very low33.8Very low73 Ų73130.4 Ų130.475%0.75381%0.814SS**  trans-176.286178.700000114.4
1492F32.2Very low33.3Very low181 Ų181127.7 Ų127.779%0.79481%0.81SS**  trans16.1138.9140.1-109.5-119.1000119.3
1493E32.2Very low32.9Very low157 Ų157127.4 Ų127.473%0.73481%0.808SS**  cis-172.7154.5-8.9-129.5-173.4-166.800109.4
1494G32.2Very low32.6Very low75 Ų75127.2 Ų127.277%0.77381%0.806SS**  trans81.7144.7168.900000117.1
1495L32.1Very low32.5Very low170 Ų170125.9 Ų125.989%0.8980%0.803SS**  cis-155.1144.28.5-114.6156.6000111.8
1496A30.4Very low32.5Very low90 Ų90127.6 Ų127.674%0.74480%0.798SS**  trans-2.3160.8154.800000122.2
1497A29.6Very low32.4Very low86 Ų86127.3 Ų127.371%0.71179%0.794SS**  cis179.8160-16.400000109.3
1498L32.6Very low32.4Very low168 Ų168125 Ų12588%0.8879%0.791SS**  trans150.1130.1137.8-83.4162.5000113.9
1499A34Very low32.5Very low91 Ų91120.4 Ų120.475%0.75278%0.776SS**  trans48.6139.6152.100000120.4
1500S31.8Very low32.5Very low117 Ų117124.3 Ų124.382%0.81879%0.785SS**  cis177.1169.1-10.2-110.20000105.9
1501P36.6Very low32.4Very low130 Ų130120.6 Ų120.684%0.84477%0.772SS**  trans-117.6177-140.942.5-36.2000116.3
1502G32.6Very low32.5Very low64 Ų64125.3 Ų125.366%0.6678%0.779SS**  trans175.2106.2156.400000117.1
1503L30.5Very low32.5Very low177 Ų177121.7 Ų121.793%0.92777%0.774SS**  trans35.7142.3152-60.899.6000121.5
1504G31.8Very low32.5Very low63 Ų63120.4 Ų120.465%0.64978%0.776SS**  cis149.6144.7-6.200000113.8
1505L31.4Very low32.4Very low161 Ų161124.8 Ų124.884%0.84378%0.781SS**  trans66.6150.5156-48.2177000117.2
1506T32.4Very low32.4Very low111 Ų111120.4 Ų120.468%0.68178%0.777SS**  cis-165.9123.7-12.219.10000106
1507M29.5Very low32.4Very low163 Ų163123.8 Ų123.880%0.80378%0.783SS**  8514188.8-73.9-68.7178.100117.2
1508N33.3Very low32.4Very low149 Ų149124.9 Ų124.980%0.79779%0.785SS**  trans85.4143157.9-60.7-13000119.7
1509A33.8Very low32.2Very low74 Ų74119.7 Ų119.761%0.61277%0.772SS**  cis-167.2176.1-17.100000110.8
1510D34.5Very low32Very low168 Ų168127.2 Ų127.290%0.89878%0.783SS**  trans75.6125.5166.8-49.7-26.2000117.9
1511G34.1Very low31.8Very low64 Ų64129.4 Ų129.466%0.6678%0.78SS**  cis164.5163.5-9.300000114.4
1512I33.9Very low31.4Very low172 Ų172129 Ų12988%0.88278%0.775SS**  trans71153.3162.213.1-175.1000118.7
1513P33.8Very low31.1Very low106 Ų106131.9 Ų131.969%0.68878%0.782SS**  -142.9164.4-104.246.2-28.2000120.1
1514V30.9Very low31Very low130 Ų130134 Ų13479%0.78878%0.778SS**  trans23.7127133.1-173.10000121.7
1515L31.7Very low31Very low166 Ų166137.2 Ų137.287%0.86978%0.781SS**  -176.7110.5123.1-95.6165.2000108.5
1516G31.9Very low30.7Very low79 Ų79137.3 Ų137.381%0.81478%0.782SS**  81.8120.610000000111.8
1517D30.2Very low30.4Very low161 Ų161136.1 Ų136.186%0.86178%0.783SS**  cis-149.9-177.134.8-169.412.5000112.4
1518S28.6Very low30.2Very low109 Ų109137.3 Ų137.376%0.76279%0.786SS**  trans-105129.6-149.5-33.50000114.1
1519G28.9Very low29.9Very low59 Ų59135 Ų13561%0.60878%0.782SS**  trans-162.3113.9168.800000111.2H1521G1519-H1521 PolarHBondContact O-N 3.13Å
1520Y29.7Very low29.5Very low249 Ų249137.3 Ų137.398%0.97679%0.791SS**  trans-58.6102.1-169.9-69.2-94.7000113.4
1521H28.3Very low29.2Very low162 Ų162136 Ų13675%0.7579%0.789SS**  trans-110.9132.2167.2-93.5-95.2000110.8G1519G1519-H1521 PolarHBondContact O-N 3.13Å
1522T27.9Very low28.9Very low122 Ų122135.9 Ų135.975%0.74879%0.787SS**  trans-75.2132.7166.942.60000109.8W1524T1522-W1524 PolarHBondContact O-N 2.8Å
1523P26.5Very low28.5Very low125 Ų125132.9 Ų132.981%0.81278%0.782SS**SBendtrans-86.366.3-165.934.8-37.8000113.3
1524W28.6Very low28.3Very low221 Ų221134 Ų13484%0.83779%0.786SS**  trans-118.10.7175.6-92.940.8000114.7T1522T1522-W1524 PolarHBondContact O-N 2.8Å
1525D30.6Very low28.2Very low131 Ų131134.7 Ų134.770%0.70179%0.786SS**  trans-88.63.1-176.8-86.2-37.7000115.7A1527D1525-A1527 PolarHBondContact O-N 3.03Å
1526N24.9Very low27.8Very low162 Ų162132.1 Ų132.187%0.86678%0.781SS**  trans-10171173.9-83.9-13000111.8
1527A26.3Very low27.7Very low87 Ų87133.9 Ų133.972%0.71978%0.778SS**  trans-126.660.7171.400000111.2D1525 S1529D1525-A1527 PolarHBondContact O-N 3.03Å; A1527-S1529 PolarHBondContact O-N 2.86Å
1528H26.6Very low27.5Very low187 Ų187130.9 Ų130.987%0.86677%0.77SS**  trans-68108.3158.4-77.6-57.3000108.4
1529S25.6Very low27.5Very low101 Ų101135.1 Ų135.171%0.70677%0.771SS**  trans-60.6124.7165.738.30000108.8A1527 V1531A1527-S1529 PolarHBondContact O-N 2.86Å; S1529-V1531 PolarHBondContact O-N 2.67Å; S1529-V1531 VanDerWaalsContact O-N 3.14Å
1530P26.2Very low27.6Very low123 Ų123142.3 Ų142.380%0.79978%0.78SS**  trans-69.8115177.427.6-32.2000108.5G1532P1530-G1532 PolarHBondContact O-N 3.15Å
1531V28.4Very low27.5Very low141 Ų141134.5 Ų134.586%0.85578%0.775SS**  trans-71.681.7163.8-178.90000106.9S1529 S1533S1529-V1531 PolarHBondContact O-N 2.67Å; S1529-V1531 VanDerWaalsContact O-N 3.14Å; V1531-S1533 PolarHBondContact O-N 3.43Å; V1531-S1533 VanDerWaalsContact O-N 3.11Å
1532G27Very low27.5Very low60 Ų60130.5 Ų130.562%0.61978%0.777SS**  trans-69.7102.3-178.600000111.1P1530 V1534P1530-G1532 PolarHBondContact O-N 3.15Å; G1532-V1534 PolarHBondContact O-N 2.67Å
1533S25.4Very low27.5Very low110 Ų110133.6 Ų133.677%0.76979%0.788SS**  trans-63.6113.4157.8-176.20000108.4V1531V1531-S1533 PolarHBondContact O-N 3.43Å; V1531-S1533 VanDerWaalsContact O-N 3.11Å
1534V29.1Very low27.6Very low130 Ų130131.5 Ų131.579%0.78879%0.789SS**  trans-131.3106.5169.5-174.80000108.1G1532G1532-V1534 PolarHBondContact O-N 2.67Å
1535D29.3Very low27.5Very low144 Ų144124.7 Ų124.777%0.7779%0.788SS**  trans-61.7147.2170.9-76.1-59.9000111.1
1536S24.2Very low27.3Very low112 Ų112122.9 Ų122.978%0.78379%0.791SS**  trans-68.8152.7174.4-620000111.1
1537P29.5Very low27.7Very low115 Ų115122.1 Ų122.175%0.74779%0.792SS**  -139.5128.2103.629.3-12.9000114.6
1538S25.8Very low27.8Very low99 Ų99122.3 Ų122.369%0.69279%0.794SS**  trans3.3128.2142.8470000119.1
1539Y29.5Very low28.1Very low197 Ų197118.3 Ų118.377%0.77379%0.785SS**  -163.7162.6115.8-126.2-109.2000114.8
1540R30.2Very low28.3Very low211 Ų211121.3 Ų121.380%0.79679%0.787SS**  trans-35.7128.4-176.1-62.7170.8175.3-172.8-4.2118.9
1541G27.7Very low28.3Very low85 Ų85122.4 Ų122.488%0.87679%0.787SS**  60.4126.699.100000121
1542G28.6Very low28.3Very low78 Ų78120.4 Ų120.480%0.80478%0.784SS**  trans178.1127.4164.500000112.7
1543L28Very low28.2Very low186 Ų186124.9 Ų124.997%0.97479%0.791SS**  trans-81.3151.2170.1-61.797.3000110.2
1544G28.8Very low28.3Very low81 Ų81129.5 Ų129.584%0.83580%0.798SS**  trans172.5114.1168.700000113.9
1545G25.8Very low28.1Very low78 Ų78126.1 Ų126.180%0.80478%0.78SS**  trans-78.4166.2-17500000117
1546A27Very low27.9Very low93 Ų93125.1 Ų125.177%0.76978%0.781SS**  trans87.8151139.100000120.7
1547T31.5Very low27.9Very low146 Ų146122.8 Ų122.890%0.89677%0.769SS**  trans82.7134.9168.2700000117.8
1548A28.4Very low27.7Very low92 Ų92123.6 Ų123.676%0.7676%0.764SS**  trans-118-165.6-179.100000107.3
1549P34.1Very low27.5Very low102 Ų102130 Ų13066%0.66277%0.773SS**  cis-124.1-178.2-17.331.7-11.8000111.9
1550H28.8Very low27.4Very low164 Ų164128.6 Ų128.676%0.75977%0.768SS**  trans175.5122.8130.6-92.9-61.2000113.7
1551N26.9Very low27.1Very low147 Ų147124.2 Ų124.279%0.78676%0.76SS**  trans28.9101.5142.7-57-7.5000121
1552A28.4Very low27Very low98 Ų98123 Ų12381%0.8174%0.738SS**  trans-146.7102.2135.900000108.8
1553M25Very low26.7Very low154 Ų154124.1 Ų124.176%0.75973%0.733SS**  trans-85.5120.3175.4-71.3175.163.200109.6
1554F26.8Very low26.6Very low208 Ų208121.9 Ų121.991%0.91272%0.722SS**  trans-132.9132.2151-84-77.6000109.7
1555S24.8Very low26.4Very low58 Ų58122.8 Ų122.841%0.40672%0.715SS.*  trans-152.1133.3-179.5-46.70000106.6L11 A1557L11-S1555 WeakPolarHBondContact CD2-OG 3.45Å; S1555-A1557 PolarHBondContact O-N 3.16Å
1556P25.8Very low26.5Very low124 Ų124122.9 Ų122.981%0.80570%0.702SS**  trans-74.649.8161.133.4-33.5000109.5M1558P1556-M1558 PolarHBondContact O-N 3.3Å
1557A24.9Very low26.4Very low63 Ų63122.7 Ų122.752%0.52171%0.709SS.*  trans-75.163.1161.800000108L11 S1555 R1559L11-A1557 HydrophobicContact CD2-CB 4.16Å; S1555-A1557 PolarHBondContact O-N 3.16Å; A1557-R1559 PolarHBondContact O-N 3.45Å
1558M24.7Very low26.2Very low131 Ų131121.4 Ų121.465%0.64569%0.688SS**  trans-50.2114.8150.4-88.2-69-175.100105.4P1556 Y1560P1556-M1558 PolarHBondContact O-N 3.3Å; M1558-Y1560 PolarHBondContact O-N 3.43Å
1559R21.9Very low26Very low233 Ų233120 Ų12088%0.87967%0.672SS**  trans-60.691.9165.5-75.7-177.7176.2177.9-0.4106A1557 D1561A1557-R1559 PolarHBondContact O-N 3.45Å; R1559-D1561 PolarHBondContact O-N 3.3Å
1560Y27.1Very low25.8Very low169 Ų169120 Ų12066%0.66367%0.672SS**  trans-65.682.1158.5-95-78.8000106.4M1558 S1562M1558-Y1560 PolarHBondContact O-N 3.43Å; Y1560-S1562 PolarHBondContact O-N 3.18Å; Y1560-S1562 PolarHBondContact O-OG 3.32Å; Y1560-S1562 VanDerWaalsContact O-OG 3.09Å
1561D23.4Very low25.6Very low119 Ų119118.4 Ų118.464%0.63667%0.665SS**  trans-57.3100.7154.7-154.4-15.7000104.9R1559 S1563R1559-D1561 PolarHBondContact O-N 3.3Å; D1561-S1563 PolarHBondContact O-N 3.35Å
1562S25.4Very low25.6Very low60 Ų60119 Ų11942%0.4267%0.667SS.*  trans-76.677.5-168.8-700000106.8Y1560 L1564Y1560-S1562 PolarHBondContact O-N 3.18Å; Y1560-S1562 PolarHBondContact O-OG 3.32Å; Y1560-S1562 VanDerWaalsContact O-OG 3.09Å; S1562-L1564 PolarHBondContact O-N 3.31Å
1563S24.1Very low25.5Very low100 Ų100120.6 Ų120.670%0.69966%0.662SS**  trans-64.375.5162.656.70000108D1561 S1565D1561-S1563 PolarHBondContact O-N 3.35Å; S1563-S1565 PolarHBondContact O-N 3.16Å; S1563-S1565 PolarHBondContact O-OG 3.13Å
1564L25Very low25.6Very low140 Ų140118.4 Ų118.473%0.73366%0.662SS**  trans-55.278.3154.2-91141.2000107.2S1562 P1566S1562-L1564 PolarHBondContact O-N 3.31Å; L1564-P1566 WeakPolarHBondContact O-CD 3.39Å; L1564-P1566 VanDerWaalsContact O-N 3.11Å
1565S25.3Very low26Very low99 Ų99114.6 Ų114.669%0.69266%0.658SS**  trans-60.4107.5165.6-67.10000105.4S1563 G1567S1563-S1565 PolarHBondContact O-N 3.16Å; S1563-S1565 PolarHBondContact O-OG 3.13Å; S1565-G1567 PolarHBondContact O-N 3.39Å
1566P26.8Very low26.1Very low81 Ų81122.6 Ų122.653%0.52668%0.68SS.*  trans-64135.6179.528.3-33.8000107.2L1564 R1568L1564-P1566 WeakPolarHBondContact O-CD 3.39Å; L1564-P1566 VanDerWaalsContact O-N 3.11Å; P1566-R1568 PolarHBondContact O-N 2.82Å
1567G26Very low26.4Very low89 Ų89122.4 Ų122.492%0.91868%0.676SS**SBendtrans-64.180.7172.200000111.2S1565S1565-G1567 PolarHBondContact O-N 3.39Å
1568R25.8Very low26.8Very low119 Ų119124.5 Ų124.545%0.44968%0.684SS.*  trans-133.9101.2163.5-100.9-171.6169.1-162.7-6.6108.1Y258 P1566 P1570Y258-R1568 VanDerWaalsContact CE2-NH1 3.3Å; P1566-R1568 PolarHBondContact O-N 2.82Å; R1568-P1570 VanDerWaalsContact O-CD 3.3Å; R1568-P1570 WeakPolarHBondContact O-CD 3.37Å
1569S24.6Very low27Very low63 Ų63126.7 Ų126.744%0.44169%0.693SS.*PPolyproline II helixtrans-55.1123.1157.952.70000109.9R1678S1569-R1678 PolarHBondContact OG-NH1 3.47Å; S1569-R1678 PolarHBondContact OG-NH2 2.79Å
1570P29.5Very low27.2Very low101 Ų101119.8 Ų119.866%0.65669%0.686SS**PPolyproline II helixtrans-74.9124.8146.9-0.120.1000106.9R1568 L1572R1568-P1570 VanDerWaalsContact O-CD 3.3Å; R1568-P1570 WeakPolarHBondContact O-CD 3.37Å; P1570-L1572 HydrophobicContact CB-CD1 4.42Å
1571Q24.5Very low27.4Very low130 Ų130121.9 Ų121.961%0.60770%0.699SS**PPolyproline II helixtrans-63131.7143.2-81.1162.4-9800105.8Y1623Q1571-Y1623 PolarHBondContact OE1-OH 3.49Å
1572L28.5Very low27.5Very low159 Ų159121.3 Ų121.383%0.83270%0.704SS**  trans-140.799166.7-119.9155.8000106.4P1570P1570-L1572 HydrophobicContact CB-CD1 4.42Å
1573D26.6Very low28.1Very low132 Ų132124.5 Ų124.571%0.70672%0.723SS**  trans-63.5152.8178.8-65.7-70.5000111.5
1574S26.5Very low28.3Very low108 Ų108124.6 Ų124.676%0.75573%0.73SS**  trans-59136.3176-480000112.4R1576S1574-R1576 PolarHBondContact O-N 2.78Å
1575P33.7Very low28.4Very low128 Ų128121.9 Ų121.983%0.83173%0.728SS**  trans-75.3114.2151.3-2.320.2000108.4
1576R27.9Very low28.6Very low227 Ų227127.5 Ų127.586%0.85774%0.735SS**  trans-71.4127164-90.9-179.3170.5-177.8-3.8109.3S1574S1574-R1576 PolarHBondContact O-N 2.78Å
1577T33.2Very low28.7Very low120 Ų120129.6 Ų129.674%0.73675%0.746SS**  trans40.3141.3130.467.40000119.4
1578P33.4Very low28.9Very low106 Ų106128 Ų12869%0.68873%0.73SS**  -143.516283.235.6-18.2000117.6
1579E28.6Very low29.2Very low178 Ų178131.9 Ų131.983%0.83275%0.751SS**  trans71.2102.1144.4-75152.8-14500122.4
1580A26.2Very low29.5Very low87 Ų87133 Ų13372%0.71976%0.759SS**  46.3118.3117.700000120.4
1581F30.1Very low29.5Very low214 Ų214133.6 Ų133.694%0.93977%0.765SS**  -166.4123.1116.5-103.6-71.9000110.8
1582S26.8Very low30.2Very low106 Ų106132.4 Ų132.474%0.74177%0.768SS**  trans-102-179.2157.5-42.10000107.7
1583P36.1Very low30.4Very low127 Ų127132.2 Ų132.283%0.82577%0.765SS**  cis-126.4177.8-27.237.7-22.7000111.7
1584A29.6Very low30.5Very low103 Ų103129.7 Ų129.785%0.85176%0.758SS**  trans-173.7147.514100000113.1
1585A26Very low30.7Very low82 Ų82133.6 Ų133.668%0.67876%0.761SS**  trans-59.6157.6176.900000115.1
1586Y30.7Very low30.4Very low218 Ų218135.2 Ų135.286%0.85576%0.76SS**  -167120.899.7-115.5-95.9000113.2
1587V29.5Very low30.7Very low125 Ų125128.2 Ų128.276%0.75876%0.758SS**  trans22.4135.4137.4-168.50000120.2
1588G30Very low30.5Very low56 Ų56127.9 Ų127.958%0.57776%0.756SS**  trans168.278.6150.800000119.2
1589F32.1Very low30.5Very low200 Ų200128.4 Ų128.488%0.87776%0.76SS**  trans64.3147.8156.3-61.8-87000119.8
1590S30.6Very low30.5Very low87 Ų87128.3 Ų128.361%0.60876%0.759SS**  cis-174.9117-30.346.10000105.8
1591S29.3Very low30.7Very low113 Ų113130.2 Ų130.279%0.7976%0.762SS**  74.8156.384-61.40000114.2
1592P39.3Very low30.7Very low104 Ų104128.9 Ų128.968%0.67576%0.759SS**  cis-147.6-174.4-30.636.3-15.9000116
1593M32.5Very low30.7Very low156 Ų156132.3 Ų132.377%0.76877%0.768SS**  trans114.4105.6148.2-58.1-111.1-173.200115.1
1594S28.8Very low30.3Very low79 Ų79129.9 Ų129.955%0.55277%0.766SS**  70.1132.259.575.20000112.8
1595F31.4Very low30.5Very low189 Ų189130.8 Ų130.883%0.82977%0.766SS**  cis-129.114138.4-73.1-108.2000111.4
1596M27.4Very low30.8Very low163 Ų163132.4 Ų132.480%0.80377%0.769SS**  73.5115.857.6-76.6-154.377.900116.5
1597G33.4Very low30.9Very low79 Ų79125.7 Ų125.781%0.81477%0.767SS**  trans-176.768176.200000111.6
1598T29.4Very low30.9Very low113 Ų113125.1 Ų125.169%0.69377%0.768SS**  trans-90.4160.6175.246.50000111.5
1599P33.8Very low31Very low118 Ų118128 Ų12877%0.76678%0.78SS**  -134.2152.8103.135.5-25.6000116
1600Q28Very low31.2Very low176 Ų176124.5 Ų124.582%0.82278%0.777SS**  trans-20.3146154.6-65.4149.6-27.600115.3
1601T30.8Very low31.1Very low127 Ų127123.5 Ų123.578%0.77978%0.781SS**  -147.3137.969.337.60000117.7
1602E29.1Very low31.3Very low185 Ų185127 Ų12786%0.86478%0.784SS**  trans67.3135138.9-59.2-165159.200124.5
1603L27.5Very low30.7Very low178 Ų178127.6 Ų127.693%0.93279%0.791SS**  trans-85151.9173.8-74.770000110.7
1604G28Very low30.6Very low77 Ų77123.8 Ų123.879%0.79479%0.791SS**  trans-160.171.5170.100000113.9
1605S33.9Very low30.6Very low122 Ų122125 Ų12585%0.85380%0.8SS**  trans-78139.5154-62.10000108.1
1606P32.4Very low30.3Very low115 Ų115123.7 Ų123.775%0.74780%0.801SS**  -147.4146.7108.235-19.3000114.5
1607G32.7Very low30.3Very low78 Ų78120.8 Ų120.880%0.80480%0.796SS**  trans-86.6138.6154.200000109.8
1608S27.7Very low30Very low112 Ų112123 Ų12378%0.78380%0.799SS**  trans-147.8109.5173.4-72.50000111.4
1609S33.1Very low30Very low118 Ų118121.4 Ų121.483%0.82581%0.806SS**  trans-83.5148.9163.951.60000111.5
1610P37Very low29.8Very low126 Ų126121 Ų12182%0.81881%0.806SS**  trans-104.6146.1155.7-3.223.8000112.8
1611G28.2Very low29.7Very low66 Ų66122.4 Ų122.468%0.6881%0.81SS**  trans-72.6-171.6159.400000111.9
1612H32.1Very low29.4Very low185 Ų185120.1 Ų120.186%0.85681%0.811SS**  cis-167.715237.4-118.49.8000112.4
1613S28.1Very low29.6Very low117 Ų117121.9 Ų121.982%0.81881%0.811SS**  trans40.3128.5146.261.40000123.4
1614G30.6Very low29.5Very low76 Ų76116.6 Ų116.678%0.78480%0.8SS**  trans152.873.8161.700000113.5
1615S27.1Very low29.8Very low105 Ų105116.6 Ų116.673%0.73480%0.8SS**  88.996.889.8177.50000115.9
1616L25.4Very low29.8Very low161 Ų161117.1 Ų117.184%0.84380%0.8SS**  trans74.4148.5147.1-79.495.4000123.8
1617S27.1Very low29.4Very low102 Ų102114.9 Ų114.971%0.71380%0.798SS**  trans76.792.2156.260.60000121.4
1618S27.7Very low29.3Very low125 Ų125116.7 Ų116.787%0.87480%0.799SS**  51111.212160.70000120.6
1619G29.8Very low29.3Very low81 Ų81119 Ų11984%0.83580%0.801SS**  trans-168.792.3169.700000113.9
1620S29.3Very low28.9Very low108 Ų108124.2 Ų124.276%0.75580%0.803SS**  trans-47.5131.9-176.5-167.40000117.7
1621F25.1Very low28.4Very low207 Ų207122.2 Ų122.291%0.90880%0.797SS**  trans19.3136.7145.6-62-86.4000122.4
1622G26.1Very low28.3Very low78 Ų78125.9 Ų125.980%0.80480%0.801SS**  trans163.7105.9150.400000116.8
1623Y32.1Very low27.9Very low222 Ų222123.6 Ų123.687%0.87179%0.793SS**  trans-74.9123.7172.1-122.2-88.9000111.4Q1571Q1571-Y1623 PolarHBondContact OE1-OH 3.49Å
1624G25.8Very low27.8Very low68 Ų68127.3 Ų127.370%0.70180%0.795SS**  trans174.8141.4170.300000113
1625G35.5Very low27.6Very low76 Ų76127.8 Ų127.878%0.78479%0.787SS**  trans-79.1-161.6155.500000110.2
1626P32.7Very low27.7Very low134 Ų134127 Ų12787%0.8778%0.779SS**  cis-138.2-165.78.741.9-22.6000113.5
1627G23.9Very low27.6Very low68 Ų68125 Ų12570%0.70177%0.768SS**  trans90.5137.8171.700000113
1628S31.6Very low27.6Very low116 Ų116124.7 Ų124.781%0.81176%0.755SS**  cis74.473.649.1-174.50000114
1629L26.3Very low27.7Very low160 Ų160126.6 Ų126.684%0.83875%0.748SS**  trans-134.4116152.9-71172.9000106.5
1630R26.3Very low27.6Very low227 Ų227127.7 Ų127.786%0.85774%0.74SS**  79.690.270.4-91-169.3162178.9-4.5114
1631A25.8Very low27.3Very low84 Ų84126.8 Ų126.869%0.69473%0.734SS**  trans-167.1128.8131.100000104.2
1632D24.9Very low27.4Very low143 Ų143128 Ų12877%0.76573%0.734SS**  48.9118.265.9-52-48.7000108.9
1633I24.3Very low27.3Very low137 Ų137128.9 Ų128.970%0.70373%0.734SS**  cis-154.4132.736.1-57.9152.8000107.6
1634F26.1Very low27Very low196 Ų196120.9 Ų120.986%0.8672%0.718SS**  172.2106.4117.7-97.1-69.7000111.9
1635S27.1Very low27Very low86 Ų86124.5 Ų124.560%0.60173%0.727SS**  trans-58.4161.4152-31.90000110.1
1636P27.9Very low26.5Very low89 Ų89124.5 Ų124.558%0.57873%0.727SS**  -125.5136.261.138.1-26.7000112.3P1772P1636-P1772 HydrophobicContact CB-CG 3.55Å; P1636-P1772 HydrophobicContact CG-CB 4.36Å; P1636-P1772 HydrophobicContact CG-CG 3.61Å
1637I24.8Very low26.2Very low119 Ų119123.3 Ų123.361%0.6172%0.722SS**  50.4106.681.3-56.1163.5000107.9P1772I1637-P1772 WeakPolarHBondContact O-CG 3.36Å
1638H26.7Very low26.3Very low95 Ų95125 Ų12544%0.4472%0.724SS.*  -154.3143.291.5-117.3-98.7000115.3P1772 L1773H1638-P1772 VanDerWaalsContact CD2-CD 3.44Å; H1638-P1772 WeakPolarHBondContact CD2-CD 3.46Å; H1638-P1772 PolarHBondContact CD2-O 3.22Å; H1638-P1772 PolarHBondContact NE2-O 3.26Å; H1638-L1773 HydrophobicContact CB-CD2 3.62Å; H1638-L1773 HydrophobicContact CB-CG 3.63Å; H1638-L1773 WeakPolarHBondContact ND1-CD1 3.43Å
1639K28.9Very low26.1Very low164 Ų164124.4 Ų124.471%0.71372%0.719SS**  trans-74.3163149.1-55.3176.3179.2176.50108
1640P28.4Very low26.1Very low104 Ų104121.1 Ų121.168%0.67571%0.71SS**  -123.2140.384.2-0.922.5000113.1L1773P1640-L1773 HydrophobicContact CG-CD1 4.16Å; P1640-L1773 HydrophobicContact CG-CD2 4.4Å
1641S23.2Very low26.1Very low90 Ų90119.9 Ų119.963%0.62971%0.711SS**  trans-33.2140152.5-42.70000113.6
1642Y26.2Very low26Very low232 Ų232120.9 Ų120.991%0.9171%0.713SS**  trans-120.1105.5143.5-118.5-90.3000108.4
1643A24Very low26Very low97 Ų97117.7 Ų117.780%0.80271%0.706SS**  trans-138.3132.3169.400000106.3
1644G26.3Very low26.1Very low53 Ų53113.7 Ų113.755%0.54669%0.69SS.*  trans126.486.1-16900000109.7
1645T25.5Very low26.2Very low144 Ų144105.9 Ų105.988%0.88367%0.665SS**  78.2122.966.365.60000114.1
1646G26.4Very low26Very low76 Ų76106.7 Ų106.778%0.78466%0.663SS**  trans84.4139.5175.800000113.1
1647S26.1Very low25.9Very low109 Ų109107.4 Ų107.476%0.76267%0.67SS**  cis-165.4166.4-10.6380000108.1
1648S25.9Very low26.1Very low105 Ų105108.4 Ų108.473%0.73468%0.677SS**  trans27.2132.1151.253.90000120.3
1649S27.5Very low26Very low102 Ų102108.9 Ų108.971%0.71369%0.69SS**  cis-17717214.942.60000112.1
1650S26.5Very low26.1Very low92 Ų92106.2 Ų106.264%0.64369%0.69SS**  trans59.2100144.4510000122.4
1651F25.2Very low26Very low201 Ų201107.2 Ų107.288%0.88269%0.694SS**  78.2127.2122.6-77.3-75.3000125.1
1652S25.2Very low26.3Very low105 Ų105111.7 Ų111.773%0.73470%0.703SS**  trans104.5165.413479.50000120.9R1903S1652-R1903 PolarHBondContact O-NH1 3.41Å
1653A24.9Very low26.4Very low76 Ų76106 Ų10663%0.62870%0.697SS**  trans-77.1-174.1-167.300000112R1903A1653-R1903 VanDerWaalsContact CA-NH1 3.31Å; A1653-R1903 PolarHBondContact O-NH1 3.22Å
1654S26Very low26.5Very low53 Ų53109.1 Ų109.137%0.37170%0.699SS.*  cis-141.6165.2258.60000111.9T1902 R1903S1654-T1902 WeakPolarHBondContact CB-O 3.15Å; S1654-T1902 WeakPolarHBondContact CB-OG1 3.23Å; S1654-T1902 PolarHBondContact OG-OG1 3.28Å; S1654-R1903 VanDerWaalsContact C-CZ 3.4Å; S1654-R1903 VanDerWaalsContact CA-CZ 3.49Å; S1654-R1903 VanDerWaalsContact N-NH2 3.17Å; S1654-R1903 PolarHBondContact O-NE 2.93Å; S1654-R1903 PolarHBondContact O-NH2 3.19Å
1655G26.8Very low26.5Very low32 Ų32115.4 Ų115.433%0.3371%0.714SS.*  trans128.6115.9178.700000119T1902 R1903G1655-T1902 VanDerWaalsContact N-CB 3.35Å; G1655-R1903 WeakPolarHBondContact O-CG 3.34Å
1656D24.5Very low26.5Very low102 Ų102115.8 Ų115.855%0.54571%0.706SS.*  trans-71.5145.2-177.8-46.4-23.3000113.5R1903 R1904D1656-R1903 PolarHBondContact OD1-N 2.59Å; D1656-R1904 WeakPolarHBondContact CA-OXT 3.35Å; D1656-R1904 PolarHBondContact OD1-N 3.27Å
1657S25.7Very low26.5Very low104 Ų104118.2 Ų118.273%0.72771%0.711SS**  trans168.5108.3151.537.10000112.2R1904S1657-R1904 PolarHBondContact N-OXT 3.14Å; S1657-R1904 VanDerWaalsContact N-OXT 3.08Å
1658N27.7Very low26.7Very low141 Ų141119.2 Ų119.275%0.75470%0.699SS**  trans-134.1100.2164-87.3-76.7000111.8
1659S24.7Very low26.8Very low104 Ų104120.2 Ų120.273%0.72769%0.692SS**  trans-64.2124.2161.746.70000110.8T1661S1659-T1661 PolarHBondContact O-N 3.41Å
1660P31.2Very low26.8Very low108 Ų108117 Ų11770%0.70167%0.669SS**  trans-80.5102.8170.431-30.9000109.8F1662P1660-F1662 PolarHBondContact O-N 3.06Å; P1660-F1662 VanDerWaalsContact O-N 3.12Å
1661T26.6Very low26.9Very low126 Ų126117.9 Ų117.977%0.77366%0.664SS**  trans-61.9110.4171.8-35.20000109.5S1659 S1663S1659-T1661 PolarHBondContact O-N 3.41Å; T1661-S1663 PolarHBondContact O-N 3.04Å
1662F28.3Very low27Very low183 Ų183111.1 Ų111.180%0.80364%0.642SS**  trans-72.6106.5177.3-95.2-96.3000110.5P1660 L1664P1660-F1662 PolarHBondContact O-N 3.06Å; P1660-F1662 VanDerWaalsContact O-N 3.12Å; F1662-L1664 PolarHBondContact O-N 2.9Å
1663S28.8Very low27.1Very low113 Ų113109 Ų10979%0.7962%0.624SS**  trans-72.1110.8163.645.80000109.8T1661 Q1665T1661-S1663 PolarHBondContact O-N 3.04Å; S1663-Q1665 PolarHBondContact O-N 3.01Å
1664L26Very low27.2Very low162 Ų162107.9 Ų107.985%0.84862%0.62SS**  trans-65.1116.2169.9-74.988.9000109.6F1662F1662-L1664 PolarHBondContact O-N 2.9Å
1665Q26.3Very low27.3Very low185 Ų185111.5 Ų111.586%0.86463%0.626SS**  trans-177.7100.8147.9-105.4168.816.300110.9S1663S1663-Q1665 PolarHBondContact O-N 3.01Å
1666Q26.5Very low27.2Very low152 Ų152115.1 Ų115.171%0.7164%0.642SS**  trans165.5107141.6-93.6174.323.600108.9Y1668Q1666-Y1668 HydrophobicContact CB-CD2 4.1Å; Q1666-Y1668 HydrophobicContact CB-CE2 3.82Å; Q1666-Y1668 WeakPolarHBondContact O-CD2 3.32Å; Q1666-Y1668 PolarHBondContact O-N 2.88Å; Q1666-Y1668 PolarHBondContact OE1-OH 3.25Å
1667S26.3Very low27.2Very low127 Ų127117.7 Ų117.789%0.88865%0.651SS**  trans-66.3116.9173.221.90000110.5
1668Y29.4Very low27.2Very low131 Ų131121.3 Ų121.351%0.51465%0.649SS.*  trans-114.696.7177.3-89.7-86.9000111Q1666Q1666-Y1668 HydrophobicContact CB-CD2 4.1Å; Q1666-Y1668 HydrophobicContact CB-CE2 3.82Å; Q1666-Y1668 WeakPolarHBondContact O-CD2 3.32Å; Q1666-Y1668 PolarHBondContact O-N 2.88Å; Q1666-Y1668 PolarHBondContact OE1-OH 3.25Å
1669E29Very low27.1Very low125 Ų125119.7 Ų119.758%0.58465%0.649SS**  trans-63.6142.1173.8-66.7173.1168.200112.6K337 R342K337-E1669 HydrophobicContact CD-CB 4.32Å; K337-E1669 VanDerWaalsContact NZ-CB 3.27Å; K337-E1669 IonicContact NZ-OE2 3.28Å; K337-E1669 PolarHBondContact NZ-OE2 2.91Å; R342-E1669 PolarHBondContact NH2-O 3.17Å
1670P28.2Very low27.3Very low35 Ų35120.2 Ų120.223%0.22765%0.649CS.*  trans-68.9-171.8163.329.8-31.4000111.6K337 R342 G848 S1672K337-P1670 PolarHBondContact NZ-O 2.93Å; R342-P1670 VanDerWaalsContact NH2-C 3.28Å; R342-P1670 PolarHBondContact NH2-O 3.46Å; G848-P1670 WeakPolarHBondContact O-CB 3.4Å; P1670-S1672 PolarHBondContact O-N 3.33Å
1671M26.9Very low27Very low111 Ų111124.2 Ų124.255%0.54766%0.658SS.*SBendtrans-38.6112.2-169.2-49.9-75-155.800115.2R852R852-M1671 HydrophobicContact CG-CE 4.29Å
1672S27.5Very low26.9Very low59 Ų59126.6 Ų126.641%0.41366%0.66SS.*  trans-148.7133.2152.764.60000110.1K337 P1670 G1674K337-S1672 WeakPolarHBondContact CE-OG 3.46Å; K337-S1672 PolarHBondContact NZ-OG 3.04Å; P1670-S1672 PolarHBondContact O-N 3.33Å; S1672-G1674 PolarHBondContact O-N 2.82Å
1673V27.5Very low26.8Very low60 Ų60122.6 Ų122.636%0.36465%0.653SS.*  trans-74.6112.6169.7171.10000106.8K348 R349 Y1675K348-V1673 VanDerWaalsContact O-CG1 3.31Å; K348-V1673 WeakPolarHBondContact O-CG1 3.26Å; R349-V1673 HydrophobicContact CG-CG1 4.14Å; V1673-Y1675 PolarHBondContact O-N 3.2Å
1674G26.8Very low26.6Very low52 Ų52122.7 Ų122.754%0.53665%0.653SS.*  trans-69.490.8-176.700000112.5R349 S1672 T1676R349-G1674 VanDerWaalsContact CZ-O 3.25Å; R349-G1674 PolarHBondContact NE-O 3.49Å; R349-G1674 PolarHBondContact NH2-O 2.9Å; S1672-G1674 PolarHBondContact O-N 2.82Å; G1674-T1676 PolarHBondContact O-N 3.18Å
1675Y28Very low26.5Very low129 Ų129124.7 Ų124.751%0.50666%0.655SS.*  trans-70.8113.5152.6-90.4-91.4000108.5R349 V350 V1673 Q1677R349-Y1675 HydrophobicContact CB-CE2 4.42Å; R349-Y1675 HydrophobicContact CG-CD2 4.43Å; R349-Y1675 HydrophobicContact CG-CE2 4.13Å; V350-Y1675 PolarHBondContact O-OH 2.88Å; V350-Y1675 VanDerWaalsContact O-OH 3.11Å; V1673-Y1675 PolarHBondContact O-N 3.2Å; Y1675-Q1677 PolarHBondContact O-N 2.97Å
1676T24.7Very low26.4Very low109 Ų109120.9 Ų120.967%0.66965%0.649SS**  trans-76.482.1163.553.20000107R349 G1674R349-T1676 PolarHBondContact NH1-OG1 3.42Å; R349-T1676 PolarHBondContact NH2-OG1 3.47Å; G1674-T1676 PolarHBondContact O-N 3.18Å
1677Q25.9Very low26.4Very low155 Ų155117 Ų11772%0.72465%0.65SS**PPolyproline II helixtrans-63.5134.2152.8-84-166.8-8.800107.4Y1675 S1679Y1675-Q1677 PolarHBondContact O-N 2.97Å; Q1677-S1679 PolarHBondContact O-N 3.47Å
1678R24.4Very low26.5Very low181 Ų181121.6 Ų121.668%0.68365%0.649SS**PPolyproline II helixtrans-70.1121.7165-68.9175.7167.3-158.5-7.8106S1569S1569-R1678 PolarHBondContact OG-NH1 3.47Å; S1569-R1678 PolarHBondContact OG-NH2 2.79Å
1679S26.6Very low26.2Very low107 Ų107118.6 Ų118.675%0.74866%0.658SS**PPolyproline II helixtrans-53.6131.6164.1-49.20000108.4Q1677 H1681Q1677-S1679 PolarHBondContact O-N 3.47Å; S1679-H1681 PolarHBondContact O-N 3.3Å
1680P27.6Very low26.1Very low114 Ų114121.3 Ų121.374%0.7467%0.673SS**PPolyproline II helixtrans-57.2135.5157.2-15.929.9000107.6H1682P1680-H1682 PolarHBondContact O-N 3.25Å
1681H24.7Very low25.9Very low193 Ų193127.6 Ų127.689%0.89470%0.703SS**  trans-64.8108168.7-81.3-73.6000108.6S1679S1679-H1681 PolarHBondContact O-N 3.3Å
1682H26.3Very low25.8Very low175 Ų175127.1 Ų127.181%0.8171%0.711SS**  trans-74.4137.7150.6-95.6-86.4000108.4P1680P1680-H1682 PolarHBondContact O-N 3.25Å
1683P25.4Very low25.7Very low100 Ų100129.8 Ų129.865%0.64973%0.729SS**  trans-73.6138.6-169.428.9-34.8000111.7F1685P1683-F1685 PolarHBondContact O-N 3.4Å
1684S23.5Very low25.6Very low114 Ų114130.1 Ų130.180%0.79775%0.745SS**  trans-68114.5161.149.60000109.7
1685F24.7Very low25.6Very low204 Ų204132.8 Ų132.890%0.89576%0.755SS**  trans-97.3100.4161.1-113.1-84.5000109.2P1683P1683-F1685 PolarHBondContact O-N 3.4Å
1686S24.5Very low25.6Very low106 Ų106135.2 Ų135.274%0.74178%0.776SS**  trans-97.2121.3166.958.60000109.5
1687G26.7Very low25.8Very low69 Ų69133.5 Ų133.571%0.71178%0.78SS**  trans45.6132.3148.800000121
1688Y27.3Very low26.5Very low224 Ų224132 Ų13288%0.87878%0.784SS**  trans-135.8115.1133.7-105.3-80000109.7
1689G24.2Very low26.7Very low68 Ų68128.6 Ų128.670%0.70179%0.788SS**  trans-83.8141.8157.900000108.9
1690M25.9Very low26.8Very low182 Ų182128 Ų12890%0.89778%0.784SS**  trans-115.6139.5163.2-93.2-74-17100108.8
1691I24.5Very low26.7Very low168 Ų168130.1 Ų130.186%0.86279%0.789SS**  trans-98.3125.8-174.7-62157.6000107.7
1692S25.3Very low27.3Very low101 Ų101126.1 Ų126.171%0.70678%0.782SS**  trans175.4127.3134-1630000112.9
1693S25.2Very low27.8Very low114 Ų114122.5 Ų122.580%0.79778%0.775SS**  trans36.9124.2145.662.80000122.6
1694G24.8Very low27.9Very low68 Ų68124.6 Ų124.670%0.70178%0.78SS**  trans120.1102.5130.800000119.6
1695S27.3Very low28.1Very low108 Ų108123.6 Ų123.676%0.75577%0.774SS**  trans54.5133.6139.263.20000123.7
1696L28.2Very low28.4Very low179 Ų179121.9 Ų121.994%0.93777%0.772SS**  trans72.5146.4146.1-67.4159.5000120.3
1697G29.3Very low28.6Very low73 Ų73123.7 Ų123.775%0.75377%0.773SS**  trans112.2123.915300000116.7
1698P40.5Very low28.7Very low123 Ų123132 Ų13280%0.79979%0.785SS**  trans-100.5-178174.540-35.2000113.4
1699S28.1Very low28.7Very low110 Ų110126.3 Ų126.377%0.76978%0.778SS**  trans105.8134.6158.972.50000119.8
1700S28Very low28.9Very low96 Ų96131.8 Ų131.867%0.67178%0.778SS**  trans65.6140.6147.846.10000123.5
1701D26.9Very low29Very low158 Ų158127.7 Ų127.785%0.84577%0.768SS**  trans82.5123.8148.7-54.7-20.5000123.2
1702S35.8Very low29.2Very low108 Ų108125.5 Ų125.576%0.75576%0.764SS**  trans-80.3-174.2160.655.30000110.9
1703P36.9Very low29.2Very low100 Ų100128.3 Ų128.365%0.64977%0.772SS**  cis-143.3-159.111.437.2-12000115.8
1704D27.3Very low29.4Very low144 Ų144128.3 Ų128.377%0.7777%0.772SS**  trans73158.3155.9-61.1-21.7000121.8
1705S27.9Very low29.7Very low93 Ų93131.1 Ų131.165%0.6578%0.777SS**  cis-172.2133.5-43.858.80000109.3
1706I32.5Very low29.8Very low168 Ų168134.7 Ų134.786%0.86278%0.784SS**  trans-146.4103.4162.4-56.8-174.6000112.6
1707N26.7Very low29.9Very low143 Ų143132 Ų13277%0.76578%0.778SS**  trans2.5129.4153.3-60.8-25.3000122.5
1708Y30.3Very low30Very low243 Ų243135.3 Ų135.395%0.95378%0.784SS**  -122.2138.9127.5-88-88.7000108.8
1709S27.4Very low29.6Very low105 Ų105133 Ų13373%0.73478%0.783SS**  trans-94.6132.2-162.347.40000114.4
1710Y27.9Very low29.5Very low183 Ų183132 Ų13272%0.71879%0.789SS**  trans-131.2119.3152.8-140.9-86.9000107.8
1711S27.6Very low29.5Very low96 Ų96130.7 Ų130.767%0.67179%0.791SS**  trans-93.7132.2-174.9-57.10000111.2
1712P28.6Very low29.5Very low122 Ų122128.8 Ų128.879%0.79279%0.79SS**  -122.9133.812833.8-29.1000110.5S1714P1712-S1714 PolarHBondContact O-N 2.98Å
1713N26.4Very low29Very low160 Ų160128.7 Ų128.786%0.85679%0.789SS**  trans-65.6129.1-175-71.4-26.6000112.1
1714S29.9Very low28.6Very low114 Ų114132.2 Ų132.280%0.79780%0.799SS**  trans-157.6133.8156.9-75.20000108.4P1712P1712-S1714 PolarHBondContact O-N 2.98Å
1715P30Very low28.7Very low127 Ų127130.5 Ų130.583%0.82580%0.798SS**  trans-81.4142.3-170.732.1-34.8000112.9
1716M29.1Very low28.7Very low183 Ų183137.7 Ų137.790%0.90181%0.811SS**  trans-130.1129167.2-84.7-72.2178.200109.2
1717P31.8Very low28.6Very low122 Ų122136.3 Ų136.379%0.79281%0.806SS**  trans-85.6130.6174.332.4-31.1000111.9
1718T30.2Very low28.8Very low144 Ų144138.5 Ų138.588%0.88381%0.809SS**  trans-62.2155.315550.50000110.1
1719G31.7Very low29Very low75 Ų75132.4 Ų132.477%0.77380%0.802SS**  cis-178.3168.31.200000108.2
1720G27.5Very low29.1Very low88 Ų88130.3 Ų130.391%0.90780%0.797SS**  trans-82.7164.6-17900000113.8
1721G26.7Very low29.2Very low69 Ų69133.7 Ų133.771%0.71181%0.808SS**  trans133.680.9161.600000117.4
1722S26.6Very low29.3Very low117 Ų117132.1 Ų132.182%0.81881%0.807SS**  trans60.4144.2145.661.30000122
1723S26.5Very low29.4Very low107 Ų107132.1 Ų132.175%0.74881%0.805SS**  trans96.8106.9157.6790000119.8
1724M27.8Very low29.7Very low173 Ų173132 Ų13285%0.85280%0.803SS**  trans80.1131.8131.7-65.2-65.3145.300122.4
1725S29.8Very low30Very low108 Ų108132.5 Ų132.576%0.75580%0.804SS**  trans55.3101.4150.848.20000119.4
1726R27.5Very low30.2Very low244 Ų244129.5 Ų129.592%0.92180%0.796SS**  trans-63.8152140-73.3178.4172.5170-2.9109.3
1727D31.4Very low30.3Very low140 Ų140125.7 Ų125.775%0.74979%0.787SS**  trans-150.8146.9146.5-131.8-19.7000112.8
1728F29.5Very low30.3Very low188 Ų188127.3 Ų127.383%0.82578%0.784SS**  trans56.2130.4178.2-71.5-95000118.1
1729S34.2Very low30.3Very low115 Ų115126.2 Ų126.280%0.80478%0.778SS**  cis-160.6164.127.752.60000112.5
1730G30.3Very low30.6Very low61 Ų61128.1 Ų128.163%0.62978%0.776SS**  trans120.314.8134.700000122.8
1731W29.4Very low30.6Very low255 Ų255127.5 Ų127.597%0.96677%0.77SS**  trans56.5137.8150.4-71.875.3000122.8
1732G30.3Very low30.8Very low63 Ų63131 Ų13165%0.64978%0.777SS**  trans128.369.615900000115.9
1733V30.1Very low31.3Very low121 Ų121130.1 Ų130.173%0.73377%0.771SS**  66.3111.391.4176.10000111.1
1734L33.5Very low31.8Very low158 Ų158130.6 Ų130.683%0.82777%0.771SS**  cis-154.3146.225.4-107.6152.9000113.2
1735P36.8Very low31.7Very low125 Ų125127.2 Ų127.281%0.81277%0.765SS**  trans-124.7173.3167.141-29.5000114.5
1736G34.2Very low32Very low63 Ų63127.2 Ų127.265%0.64977%0.765SS**  trans-143.1127.1154.200000107.4
1737S29.5Very low32.3Very low103 Ų103121.6 Ų121.672%0.7276%0.76SS**  66.1134.865.891.70000111.5
1738E32.2Very low32.6Very low156 Ų156120 Ų12073%0.72976%0.76SS**  cis-149.2139.922.5-102.3127.1-121.500109.1
1739T30.8Very low32.9Very low122 Ų122117.1 Ų117.175%0.74876%0.76SS**  66.2172.982.774.60000116.3
1740P38.1Very low32.6Very low115 Ų115114.7 Ų114.775%0.74775%0.753SS**  -139179.9-69.242.3-25.5000115.4
1741G28.1Very low32.6Very low75 Ų75120.7 Ų120.777%0.77377%0.767SS**  trans75.5176.5164.100000115.8
1742V30.1Very low32.6Very low141 Ų141113.7 Ų113.786%0.85576%0.757SS**  cis-155.1148.79.5172.30000109.2
1743S36.9Very low32.7Very low99 Ų99114.7 Ų114.769%0.69276%0.759SS**  trans-74.6151.7168.6520000112.6
1744P37.1Very low32.8Very low117 Ų117114.5 Ų114.576%0.7676%0.763SS**  -163.8-171.665.843.9-20.2000118.3
1745S25.6Very low32.6Very low103 Ų103112.1 Ų112.172%0.7276%0.759SS**  trans20.3129.1147.7-49.10000124.8
1746S36Very low32.3Very low108 Ų108113.4 Ų113.476%0.75576%0.759SS**  trans30.7137.9137.463.60000121.8
1747P34.3Very low32.1Very low126 Ų126115.6 Ų115.682%0.81876%0.764SS**  -156.8-178.269.741.6-20.4000118.6
1748S37.7Very low32.2Very low107 Ų107114.1 Ų114.175%0.74877%0.765SS**  trans-66.5-176.8162.6-34.40000112.5
1749P35.7Very low32.1Very low127 Ų127112.6 Ų112.683%0.82577%0.771SS**  cis-143.9179.58.143.9-24.7000118.1
1750G28.2Very low32.2Very low64 Ų64118 Ų11866%0.6678%0.778SS**  trans115.9119.8130.400000122
1751M30.4Very low32Very low187 Ų187118.3 Ų118.392%0.92178%0.78SS**  trans69.9144.3147.3-42.2-162.48500117.7
1752S29.9Very low32.2Very low108 Ų108118.9 Ų118.976%0.75577%0.772SS**  cis-175.5160.6-4.6390000107.6
1753A30.7Very low32.2Very low84 Ų84122 Ų12269%0.69478%0.775SS**  cis-163177.7-0.700000110.2
1754S33.1Very low31.9Very low116 Ų116127.8 Ų127.881%0.81178%0.783SS**  trans61.3135.8162.148.30000119.8
1755S30.2Very low32Very low108 Ų108127.2 Ų127.276%0.75578%0.779SS**  cis-179.5162.5-6.8470000107.6
1756L30.7Very low32.1Very low153 Ų153129.7 Ų129.780%0.80179%0.785SS**  cis-160.6163.20.4-127.6166.4000108.6
1757S29.9Very low31.7Very low109 Ų109130.6 Ų130.676%0.76279%0.791SS**  trans34.5137.9153.657.50000122
1758G30.2Very low31.5Very low71 Ų71133.3 Ų133.373%0.73279%0.793SS**  cis154.6163.213.300000107.6
1759S29.7Very low31.3Very low124 Ų124134 Ų13487%0.86779%0.794SS**  cis-157.3160.26.7-69.70000111.5
1760R33Very low31Very low237 Ų237132.9 Ų132.989%0.89480%0.796SS**  trans-68.8178.7173.9-91.7177.8176.4-176.8-1.1113.1
1761P34.9Very low31.1Very low120 Ų120134.6 Ų134.678%0.77980%0.798SS**  cis-146.5177.228.440-16.9000120.6
1762S31.3Very low31.4Very low88 Ų88127.9 Ų127.962%0.61577%0.768SS**  trans-72.6163.1173.449.60000116.4
1763F30.3Very low31.3Very low207 Ų207127.6 Ų127.691%0.90876%0.757SS**  -170.9148.5125.7-100.1-69.3000113.1
1764Y31.5Very low31.1Very low220 Ų220127.5 Ų127.586%0.86375%0.752SS**  trans-90.4-173.5166.9-73.9-97.8000109.9
1765P38.5Very low30.9Very low105 Ų105131.8 Ų131.868%0.68276%0.756SS**  cis-134.2-175.7-6.638.8-19.2000115.8
1766N27.3Very low30.7Very low155 Ų155134.2 Ų134.283%0.82976%0.761SS**  trans41.2117.3150.4-78.6-6.4000122.1
1767S28.9Very low30.6Very low126 Ų126131.5 Ų131.588%0.88176%0.761SS**  -166.6147.8117.624.40000112.8
1768Q29.2Very low30.4Very low184 Ų184131 Ų13186%0.8676%0.757SS**  trans-86.3-168.8176.1-60.4-178.9-33.500111
1769P34.6Very low30.4Very low120 Ų120134.3 Ų134.378%0.77977%0.766SS**  -129.7153-66.235.8-21.1000112.4
1770A28.7Very low30.3Very low105 Ų105133.1 Ų133.187%0.86876%0.757SS**  trans-149104.2159.700000110.7
1771S30.6Very low30.2Very low99 Ų99126.3 Ų126.369%0.69275%0.752SS**  trans-88.9-166.8158.859.50000107.9
1772P36.8Very low30.1Very low46 Ų46126.1 Ų126.130%0.29975%0.751SS.*  cis-122.4170-3812.94.8000113.2P1636 I1637 H1638P1636-P1772 HydrophobicContact CB-CG 3.55Å; P1636-P1772 HydrophobicContact CG-CB 4.36Å; P1636-P1772 HydrophobicContact CG-CG 3.61Å; I1637-P1772 WeakPolarHBondContact O-CG 3.36Å; H1638-P1772 VanDerWaalsContact CD2-CD 3.44Å; H1638-P1772 WeakPolarHBondContact CD2-CD 3.46Å; H1638-P1772 PolarHBondContact CD2-O 3.22Å; H1638-P1772 PolarHBondContact NE2-O 3.26Å
1773L27.7Very low30Very low102 Ų102133.1 Ų133.153%0.53476%0.764SS.*  trans-159.3131.8145.3-120.3160.6000113.1H1638 P1640H1638-L1773 HydrophobicContact CB-CD2 3.62Å; H1638-L1773 HydrophobicContact CB-CG 3.63Å; H1638-L1773 WeakPolarHBondContact ND1-CD1 3.43Å; P1640-L1773 HydrophobicContact CG-CD1 4.16Å; P1640-L1773 HydrophobicContact CG-CD2 4.4Å
1774S26.3Very low30Very low83 Ų83134.3 Ų134.358%0.5876%0.764SS**  trans-77.1135.5-174.752.60000114.4
1775F27.8Very low30Very low205 Ų205128.2 Ų128.290%0.89975%0.753SS**  trans-113.8110.3154.5-103.2-85.3000110.5
1776N26.9Very low29.7Very low159 Ų159129.3 Ų129.385%0.8576%0.76SS**  trans-76124.3159.6-86.1-34.1000108.1
1777A28.4Very low30Very low97 Ų97128.1 Ų128.180%0.80276%0.761SS**  trans-119.8110.8170.800000109.9
1778S27Very low29.9Very low99 Ų99128 Ų12869%0.69276%0.755SS**  trans-76143.5174.8-48.60000110.8S1780S1778-S1780 PolarHBondContact O-N 3.42Å
1779P29.4Very low30Very low139 Ų139127 Ų12790%0.90376%0.755SS**  trans-74.589174.230.9-33.5000110.4
1780S27.7Very low29.8Very low99 Ų99125.7 Ų125.769%0.69275%0.754SS**  trans-100.5139163.4-60.10000109S1778S1778-S1780 PolarHBondContact O-N 3.42Å
1781A30.8Very low29.7Very low95 Ų95124.5 Ų124.579%0.78575%0.752SS**  trans-60.1140.5-166.100000114.3R1783A1781-R1783 PolarHBondContact O-N 2.8Å
1782P32.9Very low29.6Very low116 Ų116124.8 Ų124.875%0.75375%0.754SS**  trans-77.5107171.830.9-31.9000110.8
1783R29.4Very low29.1Very low234 Ų234128.2 Ų128.288%0.88378%0.779SS**  trans-71.8121.4153.4-84.8-176.9168-172.9-4.8107.9A1781 S1785A1781-R1783 PolarHBondContact O-N 2.8Å; R1783-S1785 PolarHBondContact O-N 3.42Å
1784Y30Very low29.3Very low233 Ų233128.3 Ų128.391%0.91479%0.788SS**  trans-66.4119.3171.3-103.2-93.7000110.2
1785S30.6Very low29.4Very low92 Ų92130.6 Ų130.664%0.64380%0.798SS**  trans-138.9126.3169.1-38.80000106.8R1783R1783-S1785 PolarHBondContact O-N 3.42Å
1786P32.3Very low29.7Very low127 Ų127130 Ų13083%0.82580%0.798SS**PPolyproline II helixtrans-83.4130.4178.631.9-31.3000110.7
1787P34.8Very low29.8Very low130 Ų130127 Ų12784%0.84479%0.789SS**PPolyproline II helixtrans-92.2122.4168.933.1-28.7000111.1
1788T26Very low30Very low123 Ų123133.3 Ų133.376%0.75579%0.794SS**PPolyproline II helixtrans-89.8134.4160.142.50000109.3
1789L31.3Very low30.2Very low165 Ų165133.5 Ų133.586%0.86480%0.796SS**  174152.7123.3-116.883.6000114.6
1790A30.1Very low30.7Very low91 Ų91132.1 Ų132.175%0.75279%0.787SS**  trans76.7105145.200000122.3
1791G26.9Very low30.8Very low80 Ų80136.4 Ų136.483%0.82580%0.796SS**  trans78.8140.5145.400000117.5
1792S27.7Very low30.8Very low106 Ų106140 Ų14074%0.74180%0.799SS**  cis-168.2146.8-1.1510000109.5
1793S28.3Very low30.7Very low117 Ų117141.5 Ų141.582%0.81881%0.806SS**  trans56.3142.9165.154.20000118.2
1794S31.1Very low30.9Very low104 Ų104136.1 Ų136.173%0.72780%0.799SS**  cis-155.3143.57.445.30000111.1
1795V29Very low31.2Very low131 Ų131130.2 Ų130.279%0.79479%0.789SS**  trans14118.9139.1-154.40000117
1796E32.6Very low31.1Very low193 Ų193131.1 Ų131.190%0.90280%0.795SS**  -167142.7103-99.7-178.5-172.200113.2
1797S28.5Very low31.2Very low95 Ų95130.5 Ų130.566%0.66479%0.794SS**  trans-98.1150.4-171.850.30000112.1
1798Y32.8Very low31.4Very low231 Ų231130.2 Ų130.291%0.90679%0.792SS**  trans-154.6133.4138.2-105.2-74.6000112.4
1799S31.4Very low31.6Very low103 Ų103128.4 Ų128.472%0.7280%0.798SS**  trans-133.9-169.5162.3-45.90000105.4
1800P39.9Very low31.6Very low110 Ų110124.7 Ų124.771%0.71480%0.8SS**  cis-127.4-173.5-24.127.1-4.9000110.9
1801Q31Very low31.8Very low189 Ų189125 Ų12588%0.88380%0.802SS**  163.9145.7115.7-88.3-175.6-10.800112.9
1802M29.4Very low32.6Very low171 Ų171126.8 Ų126.884%0.84280%0.799SS**  trans-107.4152.8177-54.8-148.581.700111.3
1803T30.9Very low32.9Very low147 Ų147127.8 Ų127.890%0.90281%0.806SS**  trans-147.2116.6147.333.60000111.8
1804T33.8Very low33.3Very low121 Ų121125.4 Ų125.474%0.74280%0.8SS**  trans-77174.8153.948.70000109.3
1805P36.4Very low33.5Very low108 Ų108126.6 Ų126.670%0.70180%0.803SS**  cis-154.8-174.129.439.8-14.8000120
1806S28.5Very low33.7Very low111 Ų111128.4 Ų128.478%0.77681%0.807SS**  trans83.3133.1140.8520000123.8
1807S34.3Very low33.7Very low114 Ų114122.9 Ų122.980%0.79780%0.802SS**  trans-84.2-157.4174.9-22.60000112.3
1808P40.2Very low33.9Very low125 Ų125122 Ų12281%0.81281%0.808SS**  cis-136.9170.4-27.735.2-17.1000115.5
1809G29.8Very low33.9Very low85 Ų85117.1 Ų117.188%0.87681%0.805SS**  trans87.9135.913800000121
1810G31.6Very low33.9Very low87 Ų87117.4 Ų117.490%0.89781%0.807SS**  trans154.5123.8166.800000114.9
1811A33.2Very low33.6Very low98 Ų98119.3 Ų119.381%0.8181%0.811SS**  trans-137.9-176.9175.100000108.7
1812P43.7Very low33.5Very low117 Ų117115.6 Ų115.676%0.7681%0.806SS**  cis-133.4-164.4-23.136-16.1000113.2
1813S35.7Very low33.6Very low127 Ų127112.6 Ų112.689%0.88880%0.799SS**  trans99.5138152.681.90000120.2
1814G36.2Very low33.3Very low67 Ų67112.8 Ų112.869%0.69179%0.794SS**  trans137.179.316900000117.3
1815T35.1Very low32.9Very low129 Ų129112.2 Ų112.279%0.79180%0.795SS**  trans13.3144.8141.952.50000120.6
1816L33.6Very low32.5Very low168 Ų168117.2 Ų117.288%0.8880%0.801SS**  cis-172.6144.625.5-126.7158000110.9
1817G32.2Very low32.7Very low77 Ų77117.4 Ų117.479%0.79480%0.8SS**  trans110.2124.315000000120.3
1818G31.8Very low32.4Very low77 Ų77117.1 Ų117.179%0.79479%0.794SS**  trans113.8110.2159.400000116.6
1819P33.5Very low31.8Very low129 Ų129113.8 Ų113.884%0.83877%0.771SS**  trans-104131.8-175.436-29.8000114.7
1820S31.7Very low31.6Very low109 Ų109114.4 Ų114.476%0.76276%0.76SS**  trans-177.6121.2140.651.90000113.8
1821N32.1Very low31.5Very low149 Ų149115.6 Ų115.680%0.79775%0.745SS**  trans45.2103.6140.7-62.1-6.1000121.3
1822S28.9Very low31.2Very low111 Ų111120.2 Ų120.278%0.77674%0.743SS**  46.9149.5113.761.20000122.5
1823P31.5Very low30.5Very low108 Ų108120.4 Ų120.470%0.70174%0.744SS**  trans-122.6-171.4-144.742.4-27.8000114.9
1824L25.4Very low30Very low151 Ų151120.9 Ų120.979%0.79173%0.734SS**  trans60.5118.9157.3-71.2161000118
1825S25.7Very low29.5Very low109 Ų109122.2 Ų122.276%0.76273%0.733SS**  164.1151.7107.252.40000115.6
1826Y28.6Very low29.2Very low213 Ų213121.8 Ų121.884%0.83572%0.722SS**  trans-32.6152.8162.5-55.6-96000117.8
1827P31.3Very low28.9Very low115 Ų115115.1 Ų115.175%0.74769%0.694SS**  trans-116.4152.5149.433.6-23.8000114.7
1828T27.7Very low28.6Very low108 Ų108115.2 Ų115.266%0.66368%0.676SS**  trans-116.4150.5-16946.50000113.5
1829T27.6Very low28.5Very low56 Ų56116.6 Ų116.634%0.34467%0.673SS.*  trans-3.1141.1157.153.60000119.9K1303K1303-T1829 PolarHBondContact NZ-OG1 3.05Å
1830P26.9Very low28.1Very low98 Ų98113.6 Ų113.664%0.63665%0.652SS**  trans-72.8144.5179.932.6-36.2000113
1831N29.7Very low28Very low111 Ų111111.1 Ų111.159%0.59464%0.644SS**  trans-131.3136.9166.8-101.8-8.4000109.2
1832Y26.2Very low27.8Very low196 Ų196111.1 Ų111.177%0.76965%0.65SS**  trans-68.2135172.4-73.4-101.1000111
1833P29Very low27.7Very low120 Ų120109.1 Ų109.178%0.77965%0.646SS**  trans-93.5106.216732.5-27.9000111.1
1834M25.6Very low27.5Very low137 Ų137113 Ų11368%0.67566%0.66SS**  trans-75133.6147.6-84.5-73.1-173.500108.3G1380G1380-M1834 WeakPolarHBondContact O-CE 3.12Å
1835S25.4Very low27.6Very low95 Ų95108.9 Ų108.966%0.66465%0.654SS**  trans20.7111.8157.557.90000119.7
1836H29.2Very low27.7Very low120 Ų120109 Ų10956%0.55666%0.655SS**  trans-150.2148.4130.2-93.1-61.6000110D964 D965D964-H1836 IonicContact OD1-CE1 3.11Å; D965-H1836 IonicContact OD1-CE1 3.48Å
1837G26.1Very low27.6Very low28 Ų28103.5 Ų103.529%0.28965%0.648SS.*  trans-128.9144168.600000110.1R895R895-G1837 VanDerWaalsContact CZ-O 3.31Å; R895-G1837 PolarHBondContact NH1-O 3.33Å; R895-G1837 PolarHBondContact NH2-O 2.9Å
1838L26.6Very low27.3Very low80 Ų80102.8 Ų102.842%0.41965%0.646SS.*  trans62.6109.5160.4-72.5151000119.1D604 K609D604-L1838 HydrophobicContact CB-CD2 3.64Å; D604-L1838 HydrophobicContact CB-CG 3.99Å; D604-L1838 WeakPolarHBondContact OD2-CG 3.42Å; K609-L1838 HydrophobicContact CD-CD2 4.31Å; K609-L1838 VanDerWaalsContact CE-CD2 3.47Å
1839S29.2Very low27.3Very low105 Ų105104.7 Ų104.773%0.73465%0.651SS**  -152.1128.3122.4650000111.4I605I605-S1839 WeakPolarHBondContact CD1-O 3.35Å
1840T25.9Very low27.3Very low66 Ų66110 Ų11041%0.40568%0.676SS.*  trans-101.9154.9-179.846.70000112D604 I605D604-T1840 WeakPolarHBondContact O-CG2 3.18Å; I605-T1840 HydrophobicContact CB-CG2 3.89Å; I605-T1840 HydrophobicContact CG1-CG2 3.68Å; I605-T1840 HydrophobicContact CG2-CG2 3.97Å; I605-T1840 WeakPolarHBondContact O-CG2 3.31Å
1841G29.4Very low27.3Very low58 Ų58108.3 Ų108.360%0.59868%0.677SS**  trans119.490.7155.700000115.2
1842T28.1Very low27.2Very low149 Ų149113.7 Ų113.791%0.91469%0.691SS**  81127.172.259.50000115.9
1843G27.1Very low27.2Very low68 Ų68109.4 Ų109.470%0.70169%0.69SS**  trans141.981.2138.200000121.2
1844L26.6Very low27.2Very low189 Ų189106.9 Ų106.999%0.9969%0.685SS**  trans67.3150134.2-61.3163.4000122.5
1845G28.1Very low27.4Very low65 Ų65107.4 Ų107.467%0.6770%0.696SS**  trans100.678.5162.900000115.2
1846S26.2Very low27.5Very low112 Ų112106.1 Ų106.178%0.78370%0.699SS**  83.6128.880.868.80000116.1
1847S26.8Very low27.4Very low98 Ų98109.9 Ų109.969%0.68571%0.714SS**  trans63.398.1150.3590000121.2
1848S26Very low27.5Very low100 Ų100114 Ų11470%0.69974%0.738SS**  76.5155.7117.4710000122.2
1849L28.4Very low27.6Very low147 Ų147113.6 Ų113.677%0.7775%0.753SS**  trans8289.6162.9-68.2146.1000118.1
1850L26.8Very low27.6Very low167 Ų167113.7 Ų113.787%0.87475%0.754SS**  39.9114.6113.9-73.4163000118.6
1851G25.9Very low27.8Very low64 Ų64116.3 Ų116.366%0.6677%0.77SS**  118.3146.9110.400000118.6
1852Y29.4Very low27.8Very low223 Ų223121.8 Ų121.888%0.87578%0.784SS**  trans7090.6158.2-75.7-89.2000120.1
1853S25.8Very low27.8Very low107 Ų107117.9 Ų117.975%0.74877%0.774SS**  -1.7139.7119.957.20000118.5
1854G28.3Very low27.8Very low66 Ų66121.2 Ų121.268%0.6878%0.781SS**  trans175.696.5158.300000116.1
1855T29.2Very low27.9Very low148 Ų148117.7 Ų117.791%0.90877%0.772SS**  trans40.9139.5135.659.20000122.1
1856G27.7Very low27.8Very low69 Ų69118.8 Ų118.871%0.71178%0.775SS**  trans167.558.9149.700000121.8
1857F27.8Very low27.9Very low199 Ų199124.1 Ų124.187%0.87378%0.779SS**  trans48.7117.4136.9-91.5-95000124
1858S27.5Very low27.8Very low113 Ų113124.5 Ų124.579%0.7978%0.782SS**  63.6137.3126.167.70000123.3
1859G29.9Very low28Very low72 Ų72125.1 Ų125.174%0.74278%0.783SS**  trans177.338.6168.800000119.8
1860S29.5Very low27.9Very low107 Ų107121.9 Ų121.975%0.74877%0.773SS**  trans40.4128.3150.560.40000124.1
1861T29.2Very low27.9Very low121 Ų121117.6 Ų117.674%0.74275%0.754SS**  trans86.6124.7131.743.50000125.2
1862L28.7Very low28Very low173 Ų173120.1 Ų120.191%0.90675%0.747SS**  trans77.1128.7138.2-68.7162.8000120.9
1863G29.9Very low28Very low68 Ų68114.9 Ų114.970%0.70173%0.73SS**  trans145.464.2157.200000119.2
1864T26.3Very low28.3Very low138 Ų138113.6 Ų113.685%0.84772%0.718SS**  trans27.3136.5145.751.20000123.4
1865S29.4Very low28.3Very low115 Ų115112.6 Ų112.680%0.80470%0.699SS**  trans109.5115143.579.90000119.8
1866A26Very low28.2Very low87 Ų87108 Ų10872%0.71967%0.673SS**  trans41.1150.6134.300000123.9
1867Y27.5Very low28.2Very low225 Ų225109 Ų10988%0.88267%0.669SS**  trans95.798.3166-68-82.2000119.3
1868S24.8Very low28.3Very low105 Ų105105.7 Ų105.773%0.73466%0.656SS**  trans-56.9170.3141.337.50000111.9
1869P29.7Very low28.3Very low113 Ų113106.8 Ų106.873%0.73464%0.644SS**  cis-132.117217.441.5-24.8000116.2
1870S25.9Very low28.2Very low79 Ų79109.7 Ų109.755%0.55264%0.637SS**  trans-106.9137.7166.844.80000109.8V1345V1345-S1870 WeakPolarHBondContact CG1-O 3.46Å; V1345-S1870 WeakPolarHBondContact CG2-OG 3.49Å
1871T28.5Very low28.2Very low77 Ų77110.9 Ų110.947%0.47263%0.632SS.*  trans-140.5128.5-172.1-34.20000111.4H1873T1871-H1873 VanDerWaalsContact C-N 3.25Å; T1871-H1873 HydrophobicContact CG2-CB 4.38Å; T1871-H1873 WeakPolarHBondContact CG2-CD2 3.5Å; T1871-H1873 PolarHBondContact O-N 3.29Å
1872F27.3Very low28.1Very low117 Ų117110.7 Ų110.751%0.51363%0.631SS.*  trans-8174.9167.6-91.4-92.5000110.4K961 V1345 R1346K961-F1872 HydrophobicContact CD-CD1 3.6Å; K961-F1872 HydrophobicContact CD-CE1 3.61Å; V1345-F1872 HydrophobicContact CB-CD2 3.94Å; V1345-F1872 HydrophobicContact CB-CE2 3.97Å; V1345-F1872 HydrophobicContact CG1-CD2 3.58Å; V1345-F1872 HydrophobicContact CG1-CE2 3.97Å; V1345-F1872 VanDerWaalsContact O-CD2 3.22Å; V1345-F1872 WeakPolarHBondContact O-CD2 3.41Å; R1346-F1872 HydrophobicContact CG-CD2 4.29Å; R1346-F1872 HydrophobicContact CG-CE2 3.43Å; R1346-F1872 VanDerWaalsContact CG-CE2 3.43Å; R1346-F1872 HydrophobicContact CG-CZ 3.63Å
1873H29.9Very low28.3Very low114 Ų114108.5 Ų108.553%0.52863%0.625SS.*  trans-111132171.9-83.9-25.4000112.4K961 T1871K961-H1873 PolarHBondContact NZ-O 2.99Å; T1871-H1873 VanDerWaalsContact C-N 3.25Å; T1871-H1873 HydrophobicContact CG2-CB 4.38Å; T1871-H1873 WeakPolarHBondContact CG2-CD2 3.5Å; T1871-H1873 PolarHBondContact O-N 3.29Å
1874T31.5Very low28.3Very low80 Ų80111.2 Ų111.249%0.49163%0.63SS.*  29.6159.9122.774.80000122.1
1875P28.5Very low28.6Very low44 Ų44116.3 Ų116.329%0.28663%0.634SS.*SBend-93169.5128.334.2-25.1000113V959 S1877V959-P1875 HydrophobicContact CB-CB 4.35Å; V959-P1875 HydrophobicContact CB-CG 3.9Å; V959-P1875 HydrophobicContact CG1-CB 4.37Å; V959-P1875 HydrophobicContact CG1-CG 3.45Å; V959-P1875 VanDerWaalsContact CG1-CG 3.45Å; V959-P1875 HydrophobicContact CG2-CB 3.21Å; V959-P1875 HydrophobicContact CG2-CG 3.27Å; P1875-S1877 PolarHBondContact O-N 3.16Å
1876S27.5Very low28.8Very low52 Ų52117.3 Ų117.336%0.36464%0.637SS.*SBendtrans57.647.7142.667.20000116.6
1877S28.1Very low29.2Very low89 Ų89116.2 Ų116.262%0.62263%0.634SS**  -136.651.2123.2600000111.8P1875 Y1879P1875-S1877 PolarHBondContact O-N 3.16Å; S1877-Y1879 PolarHBondContact O-N 3.46Å
1878H28Very low29.5Very low130 Ų130111 Ų11160%0.60263%0.631SS**  trans-72.291.4164.9-96.3-74.4000110.3F1880H1878-F1880 HydrophobicContact CB-CD2 4.44Å; H1878-F1880 AromaticContact ND1-CE2 3.71Å; H1878-F1880 PolarHBondContact O-N 2.98Å
1879Y28.9Very low29.9Very low136 Ų136111.8 Ų111.853%0.53363%0.634SS.*  trans-78.792.9163.2-97.3-88000110L879 L1019 S1877 M1881L879-Y1879 HydrophobicContact CD1-CE2 4.15Å; L879-Y1879 WeakPolarHBondContact CD1-OH 3.15Å; L1019-Y1879 HydrophobicContact CD1-CE1 3.76Å; S1877-Y1879 PolarHBondContact O-N 3.46Å; Y1879-M1881 PolarHBondContact O-N 2.67Å
1880F26.4Very low30Very low134 Ų134111.4 Ų111.459%0.58863%0.634SS**  trans-85.391166.6-96.9-80.6000110.6H1878H1878-F1880 HydrophobicContact CB-CD2 4.44Å; H1878-F1880 AromaticContact ND1-CE2 3.71Å; H1878-F1880 PolarHBondContact O-N 2.98Å
1881M29.4Very low30.6Very low132 Ų132113 Ų11365%0.6564%0.642SS**  trans-121.569.1159.6-90.6-161.9165.600111.4Y1879Y1879-M1881 PolarHBondContact O-N 2.67Å
1882T28.2Very low30.9Very low117 Ų117114.6 Ų114.672%0.71866%0.657SS**  trans-90.394.5161.437.80000110.2
1883T32.1Very low31.4Very low127 Ų127114.7 Ų114.778%0.77967%0.669SS**  trans-110.7115.2160.751.30000109.2
1884P31.2Very low31.5Very low125 Ų125120.6 Ų120.681%0.81269%0.687SS**  trans-82.5135.6-178.532-33.2000111.7
1885R32.6Very low31.5Very low244 Ų244124.9 Ų124.992%0.92170%0.701SS**  trans-137.8140.9151.6-85.3-165171.7-167.6-2.6110.3
1886P33.1Very low31.8Very low136 Ų136134.1 Ų134.188%0.88373%0.732SS**  trans-100.4165.6-163.439.2-36.5000114.6
1887G34Very low32Very low64 Ų64142 Ų14266%0.6676%0.755SS**  trans134.780.2172.600000111.8
1888S33.3Very low32.5Very low116 Ų116142.8 Ų142.881%0.81176%0.758SS**  76.2141.98270.60000114.8
1889P34.1Very low32.7Very low121 Ų121143.2 Ų143.279%0.78677%0.77SS**  cis-128.9168.9-46.336.5-22.3000112.5
1890S32Very low32.9Very low106 Ų106142.3 Ų142.374%0.74178%0.781SS**  trans-63.3162.2168.257.50000112.6
1891P38.4Very low33.2Very low112 Ų112142.5 Ų142.573%0.72779%0.788SS**  -149128.288.636.5-18000117.3
1892S33.5Very low33.3Very low111 Ų111139.4 Ų139.478%0.77678%0.777SS**  67.8162.5123.482.20000121.1
1893P37.8Very low33.3Very low119 Ų119140.1 Ų140.177%0.77377%0.766SS**  trans-116.7168.8-146.941.1-31.5000115.1
1894R32.7Very low33.3Very low237 Ų237145.4 Ų145.489%0.89477%0.772SS**  trans-140.6117.4155.8-99.7-177.6177.9164.70.6112.7
1895E31.9Very low33.4Very low170 Ų170146.5 Ų146.579%0.79477%0.77SS**  trans-12.8139.6151.6-60.4151.9151.700117.6
1896Y33.9Very low33.4Very low239 Ų239141.3 Ų141.394%0.93776%0.762SS**  trans-165.199.8130.5-106.4-70.9000110.8
1897Y33Very low33.4Very low217 Ų217141.6 Ų141.685%0.85176%0.755SS**  trans-87.7176.6148.6-85.2-81.6000107.9
1898P37.3Very low33.4Very low105 Ų105146.2 Ų146.268%0.68276%0.761SS**  cis-126.9175.9-29.933.2-16.4000111.8
1899T33.1Very low33.4Very low139 Ų139148.1 Ų148.185%0.85376%0.758SS**  trans174.6131.1134.324.70000110.5
1900P33.6Very low33.4Very low118 Ų118149.9 Ų149.977%0.76676%0.756SS**  trans-101.3124.1169.134.1-25.3000111.1
1901D32.4Very low33.5Very low137 Ų137153 Ų15373%0.73376%0.757SS**  trans-152.397.2164.8-111.6-29.4000114.4
1902T31.1Very low33.1Very low67 Ų67156.2 Ų156.241%0.41176%0.759SS.*  43.6128.5118.8680000120.1S1654 G1655S1654-T1902 WeakPolarHBondContact CB-O 3.15Å; S1654-T1902 WeakPolarHBondContact CB-OG1 3.23Å; S1654-T1902 PolarHBondContact OG-OG1 3.28Å; G1655-T1902 VanDerWaalsContact N-CB 3.35Å
1903R29Very low33Very low133 Ų133159.9 Ų159.950%0.50276%0.758SS.*  trans153.510.9-177.9-90.7178.9-112.616814.5122.3S1652 A1653 S1654 G1655 D1656S1652-R1903 PolarHBondContact O-NH1 3.41Å; A1653-R1903 VanDerWaalsContact CA-NH1 3.31Å; A1653-R1903 PolarHBondContact O-NH1 3.22Å; S1654-R1903 VanDerWaalsContact C-CZ 3.4Å; S1654-R1903 VanDerWaalsContact CA-CZ 3.49Å; S1654-R1903 VanDerWaalsContact N-NH2 3.17Å; S1654-R1903 PolarHBondContact O-NE 2.93Å; S1654-R1903 PolarHBondContact O-NH2 3.19Å; G1655-R1903 WeakPolarHBondContact O-CG 3.34Å; D1656-R1903 PolarHBondContact OD1-N 2.59Å
1904R30.7Very low32.6Very low238 Ų238163.6 Ų163.690%0.89876%0.756SS**  trans-179.80145.4-105.7167.6-171.7-148.4-1.6117.3D1656 S1657D1656-R1904 WeakPolarHBondContact CA-OXT 3.35Å; D1656-R1904 PolarHBondContact OD1-N 3.27Å; S1657-R1904 PolarHBondContact N-OXT 3.14Å; S1657-R1904 VanDerWaalsContact N-OXT 3.08Å

Retrieved 1,904 of 1,904 residues in 2309.9 ms (Link to these results)

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